For BMRB entry 19143: ############################################################################ For conformer 1: Atom Original Corrected SPARTA Difference RESID 25 (D): N 120.600 120.600 120.651 -0.051 RESID 25 (D): C 174.400 174.400 175.896 -1.496 RESID 25 (D): CA 55.230 55.230 53.067 2.163 RESID 25 (D): CB 41.340 41.340 41.871 -0.531 RESID 25 (D): H 8.275 8.275 8.212 0.063 RESID 26 (W): N 120.100 120.100 123.639 -3.539 RESID 26 (W): C 174.200 174.200 175.070 -0.870 RESID 26 (W): CA 55.330 55.330 54.987 0.343 RESID 26 (W): CB 31.090 31.090 27.846 3.244 RESID 26 (W): H 7.788 7.788 7.573 0.215 RESID 27 (P): C 175.900 175.900 175.893 0.007 RESID 27 (P): CA 62.800 62.800 63.090 -0.290 RESID 27 (P): CB 37.260 37.260 32.320 4.940 RESID 28 (R): N 118.000 118.000 121.816 -3.816 RESID 28 (R): C 173.700 173.700 175.090 -1.390 RESID 28 (R): CA 55.160 55.160 54.438 0.722 RESID 28 (R): CB 33.430 33.430 32.674 0.756 RESID 28 (R): H 8.686 8.686 8.624 0.062 RESID 29 (Q): N 120.800 120.800 121.591 -0.791 RESID 29 (Q): C 175.500 175.500 174.911 0.589 RESID 29 (Q): CA 54.780 54.780 56.029 -1.249 RESID 29 (Q): CB 30.700 30.700 29.272 1.428 RESID 29 (Q): H 8.506 8.506 8.587 -0.081 RESID 30 (I): N 124.300 124.300 126.101 -1.801 RESID 30 (I): C 175.700 175.700 175.075 0.625 RESID 30 (I): CA 58.520 58.520 59.430 -0.910 RESID 30 (I): CB 40.680 40.680 41.220 -0.540 RESID 30 (I): H 9.002 9.002 7.931 1.071 RESID 31 (T): N 125.200 125.200 121.972 3.228 RESID 31 (T): C 174.400 174.400 173.660 0.740 RESID 31 (T): CA 62.150 62.150 63.430 -1.280 RESID 31 (T): CB 70.640 70.640 69.599 1.041 RESID 31 (T): H 8.989 8.989 8.395 0.594 RESID 32 (D): N 129.500 129.500 123.758 5.742 RESID 32 (D): C 177.400 177.400 175.990 1.410 RESID 32 (D): CA 52.630 52.630 51.821 0.809 RESID 32 (D): CB 42.950 42.950 43.414 -0.464 RESID 32 (D): H 9.389 9.389 7.984 1.405 RESID 33 (S): N 111.900 111.900 116.364 -4.464 RESID 33 (S): C 175.600 175.600 176.168 -0.568 RESID 33 (S): CA 60.920 60.920 60.546 0.374 RESID 33 (S): CB 63.430 63.430 63.806 -0.376 RESID 33 (S): H 8.075 8.075 8.299 -0.224 RESID 34 (R): N 120.600 120.600 122.976 -2.376 RESID 34 (R): C 176.100 176.100 176.735 -0.635 RESID 34 (R): CA 55.020 55.020 58.672 -3.652 RESID 34 (R): CB 30.850 30.850 30.664 0.186 RESID 34 (R): H 8.433 8.433 8.038 0.395 RESID 35 (G): N 108.900 108.900 103.754 5.146 RESID 35 (G): C 171.200 171.200 173.452 -2.252 RESID 35 (G): CA 45.060 45.060 45.569 -0.509 RESID 35 (G): H 7.837 7.837 8.600 -0.763 RESID 36 (T): N 116.300 116.300 116.162 0.138 RESID 36 (T): C 173.800 173.800 173.001 0.799 RESID 36 (T): CA 62.670 62.670 62.640 0.030 RESID 36 (T): CB 70.000 70.000 70.119 -0.119 RESID 36 (T): H 8.192 8.192 7.602 0.590 RESID 37 (H): N 125.800 125.800 125.340 0.460 RESID 37 (H): C 174.000 174.000 173.260 0.740 RESID 37 (H): CA 54.060 54.060 55.366 -1.306 RESID 37 (H): CB 31.020 31.020 33.035 -2.015 RESID 37 (H): H 8.986 8.986 8.624 0.362 RESID 38 (T): N 121.500 121.500 117.400 4.100 RESID 38 (T): C 174.200 174.200 172.838 1.362 RESID 38 (T): CA 63.190 63.190 61.079 2.111 RESID 38 (T): CB 70.080 70.080 71.312 -1.232 RESID 38 (T): H 9.101 9.101 7.559 1.542 RESID 39 (L): N 129.600 129.600 122.446 7.154 RESID 39 (L): C 176.900 176.900 176.811 0.089 RESID 39 (L): CA 53.990 53.990 53.470 0.520 RESID 39 (L): CB 43.160 43.160 44.020 -0.860 RESID 39 (L): H 9.145 9.145 8.710 0.435 RESID 40 (E): N 124.300 124.300 125.913 -1.613 RESID 40 (E): C 175.600 175.600 175.917 -0.317 RESID 40 (E): CA 59.420 59.420 59.123 0.297 RESID 40 (E): CB 30.710 30.710 30.227 0.483 RESID 40 (E): H 9.164 9.164 9.029 0.135 RESID 41 (S): N 108.300 108.300 110.172 -1.872 RESID 41 (S): C 171.700 171.700 173.197 -1.497 RESID 41 (S): CA 56.270 56.270 57.183 -0.913 RESID 41 (S): CB 65.420 65.420 64.810 0.610 RESID 41 (S): H 7.326 7.326 7.484 -0.158 RESID 42 (Q): N 123.900 123.900 120.586 3.314 RESID 42 (Q): C 174.600 174.600 174.758 -0.158 RESID 42 (Q): CA 53.730 53.730 55.765 -2.035 RESID 42 (Q): CB 28.470 28.470 27.917 0.553 RESID 42 (Q): H 7.339 7.339 8.603 -1.264 RESID 43 (P): C 176.300 176.300 176.525 -0.225 RESID 43 (P): CA 64.080 64.080 63.371 0.709 RESID 43 (P): CB 32.510 32.510 32.423 0.087 RESID 44 (Q): N 125.100 125.100 122.492 2.608 RESID 44 (Q): C 175.400 175.400 176.038 -0.638 RESID 44 (Q): CA 55.780 55.780 57.285 -1.505 RESID 44 (Q): CB 32.660 32.660 29.808 2.852 RESID 44 (Q): H 11.160 11.160 8.586 2.574 RESID 45 (R): N 125.700 125.700 117.473 8.227 RESID 45 (R): C 174.600 174.600 174.093 0.507 RESID 45 (R): CA 55.310 55.310 55.225 0.085 RESID 45 (R): CB 33.070 33.070 33.120 -0.050 RESID 45 (R): H 10.010 10.010 7.562 2.447 RESID 47 (V): C 174.700 174.700 174.350 0.350 RESID 47 (V): CA 60.970 60.970 61.232 -0.262 RESID 47 (V): CB 34.140 34.140 34.395 -0.255 RESID 48 (S): N 118.300 118.300 120.251 -1.951 RESID 48 (S): C 175.500 175.500 173.589 1.911 RESID 48 (S): CA 55.700 55.700 57.571 -1.871 RESID 48 (S): CB 64.750 64.750 65.856 -1.106 RESID 48 (S): H 7.852 7.852 8.507 -0.655 RESID 49 (T): N 116.800 116.800 112.622 4.178 RESID 49 (T): C 171.500 171.500 174.400 -2.900 RESID 49 (T): CA 62.400 62.400 61.423 0.977 RESID 49 (T): CB 69.320 69.320 69.690 -0.370 RESID 49 (T): H 8.283 8.283 8.645 -0.362 RESID 50 (S): N 116.200 116.200 116.661 -0.461 RESID 50 (S): C 174.600 174.600 175.173 -0.573 RESID 50 (S): CA 54.640 54.640 56.691 -2.051 RESID 50 (S): CB 64.000 64.000 64.033 -0.033 RESID 50 (S): H 7.627 7.627 7.734 -0.107 RESID 51 (V): N 134.300 134.300 129.387 4.913 RESID 51 (V): C 175.100 175.100 177.915 -2.815 RESID 51 (V): CA 65.620 65.620 65.953 -0.333 RESID 51 (V): CB 31.790 31.790 31.904 -0.114 RESID 51 (V): H 9.218 9.218 9.045 0.173 RESID 52 (T): N 117.000 117.000 116.462 0.538 RESID 52 (T): C 179.700 179.700 176.485 3.215 RESID 52 (T): CA 67.390 67.390 66.545 0.845 RESID 52 (T): CB 69.130 69.130 68.867 0.263 RESID 52 (T): H 7.841 7.841 7.970 -0.129 RESID 53 (L): N 123.400 123.400 122.287 1.113 RESID 53 (L): C 178.700 178.700 178.275 0.425 RESID 53 (L): CA 57.460 57.460 58.151 -0.691 RESID 53 (L): CB 42.610 42.610 41.777 0.833 RESID 53 (L): H 8.092 8.092 8.602 -0.510 RESID 54 (T): N 117.500 117.500 115.744 1.756 RESID 54 (T): C 174.900 174.900 176.637 -1.737 RESID 54 (T): CA 67.070 67.070 67.739 -0.669 RESID 54 (T): H 8.039 8.039 8.135 -0.096 RESID 55 (G): N 105.500 105.500 109.190 -3.690 RESID 55 (G): C 175.600 175.600 175.793 -0.193 RESID 55 (G): CA 47.260 47.260 46.953 0.307 RESID 55 (G): H 6.591 6.591 7.872 -1.281 RESID 56 (S): N 117.000 117.000 117.785 -0.785 RESID 56 (S): C 175.600 175.600 176.749 -1.149 RESID 56 (S): CA 63.400 63.400 61.497 1.903 RESID 56 (S): CB 65.060 65.060 63.094 1.966 RESID 56 (S): H 6.709 6.709 7.971 -1.262 RESID 58 (L): C 181.200 181.200 179.414 1.786 RESID 58 (L): CA 57.480 57.480 57.765 -0.285 RESID 58 (L): CB 40.810 40.810 40.929 -0.119 RESID 59 (A): N 122.100 122.100 122.886 -0.786 RESID 59 (A): C 178.500 178.500 178.802 -0.302 RESID 59 (A): CA 55.540 55.540 54.805 0.735 RESID 59 (A): CB 18.440 18.440 18.762 -0.322 RESID 59 (A): H 7.797 7.797 8.093 -0.296 RESID 60 (I): C 172.700 172.700 174.243 -1.543 RESID 60 (I): CA 60.390 60.390 60.231 0.159 RESID 60 (I): CB 37.930 37.930 37.490 0.440 RESID 61 (D): N 116.200 116.200 118.568 -2.368 RESID 61 (D): C 174.800 174.800 174.561 0.239 RESID 61 (D): CA 55.850 55.850 55.805 0.045 RESID 61 (D): CB 38.930 38.930 38.954 -0.024 RESID 61 (D): H 7.736 7.736 7.738 -0.002 RESID 62 (A): N 118.900 118.900 121.919 -3.019 RESID 62 (A): C 176.800 176.800 174.124 2.676 RESID 62 (A): CA 50.040 50.040 50.901 -0.861 RESID 62 (A): CB 17.940 17.940 19.549 -1.609 RESID 62 (A): H 7.820 7.820 7.741 0.079 RESID 63 (P): C 173.600 173.600 175.716 -2.116 RESID 63 (P): CA 63.250 63.250 62.653 0.598 RESID 63 (P): CB 27.640 27.640 32.340 -4.700 RESID 64 (V): N 123.100 123.100 119.127 3.973 RESID 64 (V): C 174.800 174.800 175.727 -0.927 RESID 64 (V): CA 58.420 58.420 59.856 -1.436 RESID 64 (V): CB 33.300 33.300 34.106 -0.806 RESID 64 (V): H 8.299 8.299 7.865 0.434 RESID 65 (I): N 122.000 122.000 126.305 -4.305 RESID 65 (I): C 177.100 177.100 175.545 1.555 RESID 65 (I): CA 61.010 61.010 64.014 -3.004 RESID 65 (I): CB 39.480 39.480 38.210 1.270 RESID 65 (I): H 8.589 8.589 8.339 0.250 RESID 66 (A): N 120.700 120.700 116.411 4.289 RESID 66 (A): C 175.100 175.100 175.188 -0.088 RESID 66 (A): CA 51.300 51.300 50.664 0.636 RESID 66 (A): CB 22.980 22.980 21.521 1.459 RESID 66 (A): H 7.246 7.246 7.679 -0.433 RESID 67 (S): N 111.700 111.700 116.762 -5.062 RESID 67 (S): C 176.500 176.500 174.269 2.231 RESID 67 (S): CA 55.230 55.230 57.308 -2.078 RESID 67 (S): CB 65.300 65.300 67.725 -2.425 RESID 67 (S): H 8.561 8.561 8.313 0.248 RESID 68 (G): N 112.900 112.900 107.242 5.658 RESID 68 (G): C 171.000 171.000 172.607 -1.607 RESID 68 (G): CA 46.580 46.580 44.515 2.065 RESID 68 (G): H 7.604 7.604 8.657 -1.053 RESID 69 (A): N 122.300 122.300 125.932 -3.632 RESID 69 (A): C 177.900 177.900 175.182 2.718 RESID 69 (A): CA 51.280 51.280 52.438 -1.157 RESID 69 (A): CB 23.440 23.440 21.364 2.075 RESID 69 (A): H 7.402 7.402 8.216 -0.814 RESID 70 (T): N 119.600 119.600 113.911 5.689 RESID 70 (T): C 171.400 171.400 174.104 -2.704 RESID 70 (T): CA 58.150 58.150 61.298 -3.148 RESID 70 (T): CB 70.880 70.880 69.844 1.036 RESID 70 (T): H 9.171 9.171 8.080 1.091 RESID 71 (T): N 116.500 116.500 121.714 -5.214 RESID 71 (T): C 172.500 172.500 172.919 -0.419 RESID 71 (T): CA 61.680 61.680 61.630 0.050 RESID 71 (T): CB 70.490 70.490 68.948 1.542 RESID 71 (T): H 7.663 7.663 8.468 -0.805 RESID 72 (P): C 177.100 177.100 176.121 0.979 RESID 72 (P): CA 63.390 63.390 63.591 -0.201 RESID 72 (P): CB 32.940 32.940 32.204 0.736 RESID 73 (N): N 115.200 115.200 119.821 -4.621 RESID 73 (N): C 174.600 174.600 176.212 -1.612 RESID 73 (N): CA 54.570 54.570 53.824 0.746 RESID 73 (N): CB 37.020 37.020 38.482 -1.462 RESID 73 (N): H 7.990 7.990 8.691 -0.701 RESID 74 (N): C 175.800 175.800 176.951 -1.151 RESID 74 (N): CA 60.660 60.660 55.645 5.015 RESID 74 (N): CB 38.070 38.070 37.722 0.348 RESID 75 (R): N 114.600 114.600 120.927 -6.327 RESID 75 (R): C 177.400 177.400 177.556 -0.156 RESID 75 (R): CA 59.940 59.940 58.853 1.087 RESID 75 (R): CB 31.110 31.110 30.055 1.055 RESID 75 (R): H 8.049 8.049 8.335 -0.286 RESID 76 (V): N 107.100 107.100 117.378 -10.278 RESID 76 (V): C 176.000 176.000 175.933 0.067 RESID 76 (V): CA 61.110 61.110 64.017 -2.908 RESID 76 (V): CB 33.590 33.590 31.544 2.046 RESID 76 (V): H 7.356 7.356 8.185 -0.829 RESID 77 (A): N 126.900 126.900 121.009 5.891 RESID 77 (A): C 176.500 176.500 177.582 -1.082 RESID 77 (A): CA 51.390 51.390 52.419 -1.030 RESID 77 (A): CB 24.260 24.260 19.142 5.118 RESID 77 (A): H 7.873 7.873 7.149 0.724 RESID 78 (D): N 118.700 118.700 116.920 1.780 RESID 78 (D): C 178.100 178.100 175.895 2.205 RESID 78 (D): CA 51.970 51.970 52.909 -0.939 RESID 78 (D): CB 41.360 41.360 40.997 0.363 RESID 78 (D): H 8.607 8.607 8.176 0.431 RESID 79 (D): N 116.600 116.600 115.754 0.846 RESID 79 (D): C 176.400 176.400 176.118 0.282 RESID 79 (D): CA 56.030 56.030 54.948 1.082 RESID 79 (D): CB 40.100 40.100 39.214 0.886 RESID 79 (D): H 8.258 8.258 8.423 -0.165 RESID 80 (Q): N 117.200 117.200 121.534 -4.334 RESID 80 (Q): C 175.700 175.700 176.886 -1.186 RESID 80 (Q): CA 54.970 54.970 56.492 -1.522 RESID 80 (Q): CB 30.840 30.840 28.423 2.417 RESID 80 (Q): H 8.160 8.160 8.337 -0.177 RESID 81 (G): N 105.300 105.300 105.308 -0.008 RESID 81 (G): C 174.200 174.200 173.346 0.854 RESID 81 (G): CA 45.740 45.740 44.794 0.946 RESID 81 (G): H 7.419 7.419 8.067 -0.648 RESID 82 (F): N 121.700 121.700 121.096 0.604 RESID 82 (F): C 175.300 175.300 175.734 -0.434 RESID 82 (F): CA 52.530 52.530 56.785 -4.255 RESID 82 (F): CB 37.430 37.430 40.051 -2.621 RESID 82 (F): H 8.154 8.154 7.854 0.300 RESID 83 (L): C 178.400 178.400 177.442 0.958 RESID 83 (L): CA 55.550 55.550 55.199 0.351 RESID 83 (L): CB 38.480 38.480 41.963 -3.483 RESID 84 (R): N 119.000 119.000 118.691 0.309 RESID 84 (R): C 178.300 178.300 177.537 0.763 RESID 84 (R): CA 60.690 60.690 57.232 3.458 RESID 84 (R): CB 31.530 31.530 29.881 1.649 RESID 84 (R): H 7.746 7.746 8.435 -0.689 RESID 85 (Q): N 116.400 116.400 118.992 -2.592 RESID 85 (Q): C 174.700 174.700 177.380 -2.680 RESID 85 (Q): CA 58.200 58.200 58.005 0.195 RESID 85 (Q): CB 26.140 26.140 29.309 -3.169 RESID 85 (Q): H 9.838 9.838 7.970 1.868 RESID 86 (W): N 115.600 115.600 122.097 -6.497 RESID 86 (W): C 175.900 175.900 177.677 -1.777 RESID 86 (W): CA 55.320 55.320 60.378 -5.058 RESID 86 (W): CB 27.470 27.470 29.549 -2.079 RESID 86 (W): H 6.600 6.600 8.539 -1.939 RESID 87 (S): N 118.500 118.500 114.788 3.712 RESID 87 (S): C 177.300 177.300 175.859 1.441 RESID 87 (S): CA 62.340 62.340 61.664 0.676 RESID 87 (S): H 7.067 7.067 8.313 -1.246 RESID 88 (K): N 118.300 118.300 122.219 -3.919 RESID 88 (K): C 179.000 179.000 178.821 0.179 RESID 88 (K): CA 59.970 59.970 59.489 0.481 RESID 88 (K): CB 32.380 32.380 32.468 -0.088 RESID 88 (K): H 8.615 8.615 7.633 0.982 RESID 89 (V): N 120.600 120.600 114.256 6.344 RESID 89 (V): C 178.100 178.100 177.298 0.802 RESID 89 (V): CA 65.530 65.530 65.441 0.089 RESID 89 (V): CB 32.180 32.180 31.678 0.502 RESID 89 (V): H 7.089 7.089 7.750 -0.661 RESID 90 (A): N 120.700 120.700 121.093 -0.393 RESID 90 (A): C 180.000 180.000 178.905 1.095 RESID 90 (A): CA 55.490 55.490 54.105 1.385 RESID 90 (A): CB 19.130 19.130 17.691 1.439 RESID 90 (A): H 7.979 7.979 7.295 0.684 RESID 91 (K): N 117.600 117.600 118.030 -0.430 RESID 91 (K): C 180.900 180.900 177.877 3.023 RESID 91 (K): CA 59.830 59.830 58.828 1.002 RESID 91 (K): CB 32.700 32.700 32.697 0.003 RESID 91 (K): H 7.844 7.844 8.081 -0.237 RESID 92 (E): N 122.300 122.300 117.211 5.089 RESID 92 (E): C 178.600 178.600 177.104 1.496 RESID 92 (E): CA 59.590 59.590 57.322 2.268 RESID 92 (E): CB 29.740 29.740 30.398 -0.658 RESID 92 (E): H 8.178 8.178 7.695 0.483 RESID 93 (R): N 115.300 115.300 118.423 -3.123 RESID 93 (R): C 175.000 175.000 174.672 0.328 RESID 93 (R): CA 56.320 56.320 55.528 0.792 RESID 93 (R): CB 29.390 29.390 30.920 -1.530 RESID 93 (R): H 7.776 7.776 8.052 -0.276 RESID 94 (K): N 116.800 116.800 115.770 1.030 RESID 94 (K): C 176.400 176.400 175.842 0.558 RESID 94 (K): CA 56.950 56.950 57.611 -0.661 RESID 94 (K): CB 28.870 28.870 30.368 -1.498 RESID 94 (K): H 7.697 7.697 8.386 -0.689 RESID 95 (L): N 120.600 120.600 122.450 -1.850 RESID 95 (L): C 177.200 177.200 176.843 0.357 RESID 95 (L): CA 56.710 56.710 55.779 0.931 RESID 95 (L): CB 43.480 43.480 42.322 1.158 RESID 95 (L): H 7.708 7.708 7.653 0.055 RESID 96 (Q): N 124.900 124.900 124.279 0.621 RESID 96 (Q): C 175.000 175.000 176.210 -1.210 RESID 96 (Q): CA 55.570 55.570 54.935 0.635 RESID 96 (Q): CB 30.080 30.080 29.796 0.284 RESID 96 (Q): H 7.526 7.526 8.408 -0.882 RESID 97 (R): N 126.000 126.000 119.526 6.474 RESID 97 (R): C 176.800 176.800 176.223 0.577 RESID 97 (R): CA 55.610 55.610 56.655 -1.045 RESID 97 (R): CB 31.840 31.840 30.224 1.616 RESID 97 (R): H 9.039 9.039 8.538 0.501 RESID 98 (L): N 126.500 126.500 122.988 3.512 RESID 98 (L): C 175.400 175.400 175.810 -0.410 RESID 98 (L): CA 56.610 56.610 54.181 2.429 RESID 98 (L): CB 47.140 47.140 43.816 3.324 RESID 98 (L): H 8.247 8.247 8.700 -0.453 RESID 99 (Y): N 110.000 110.000 112.112 -2.112 RESID 99 (Y): C 173.200 173.200 174.588 -1.388 RESID 99 (Y): CA 55.320 55.320 56.123 -0.803 RESID 99 (Y): CB 38.350 38.350 39.351 -1.001 RESID 99 (Y): H 6.465 6.465 7.825 -1.360 RESID 100 (I): N 120.000 120.000 126.231 -6.231 RESID 100 (I): C 176.800 176.800 177.147 -0.347 RESID 100 (I): CA 61.290 61.290 63.074 -1.784 RESID 100 (I): CB 39.980 39.980 36.391 3.589 RESID 100 (I): H 8.725 8.725 8.614 0.111 RESID 101 (G): N 114.800 114.800 113.935 0.865 RESID 101 (G): C 173.400 173.400 174.107 -0.707 RESID 101 (G): CA 47.030 47.030 44.819 2.211 RESID 101 (G): H 8.224 8.224 8.491 -0.267 RESID 102 (E): N 129.600 129.600 118.689 10.911 RESID 102 (E): C 173.700 173.700 174.490 -0.790 RESID 102 (E): CA 54.480 54.480 54.014 0.466 RESID 102 (E): CB 29.790 29.790 27.761 2.029 RESID 102 (E): H 8.294 8.294 8.011 0.283 RESID 103 (P): C 175.400 175.400 176.228 -0.828 RESID 103 (P): CA 62.040 62.040 63.426 -1.386 RESID 103 (P): CB 32.570 32.570 32.654 -0.084 RESID 104 (S): N 111.900 111.900 117.129 -5.229 RESID 104 (S): C 174.800 174.800 174.641 0.159 RESID 104 (S): CA 55.340 55.340 58.490 -3.150 RESID 104 (S): CB 64.330 64.330 64.406 -0.076 RESID 104 (S): H 5.412 5.412 7.966 -2.554 RESID 105 (A): N 130.200 130.200 129.967 0.233 RESID 105 (A): C 179.400 179.400 179.060 0.340 RESID 105 (A): CA 55.070 55.070 54.331 0.739 RESID 105 (A): CB 18.210 18.210 19.109 -0.899 RESID 105 (A): H 9.211 9.211 8.880 0.331 RESID 106 (E): N 119.800 119.800 119.450 0.350 RESID 106 (E): C 179.300 179.300 178.866 0.434 RESID 106 (E): CA 60.270 60.270 59.033 1.237 RESID 106 (E): CB 28.990 28.990 29.467 -0.477 RESID 106 (E): H 8.731 8.731 8.580 0.151 RESID 107 (A): N 121.600 121.600 122.075 -0.475 RESID 107 (A): C 180.100 180.100 179.834 0.266 RESID 107 (A): CA 54.650 54.650 54.990 -0.340 RESID 107 (A): CB 19.220 19.220 18.458 0.762 RESID 107 (A): H 7.682 7.682 7.840 -0.158 RESID 108 (V): N 116.600 116.600 118.871 -2.271 RESID 108 (V): C 177.700 177.700 178.508 -0.808 RESID 108 (V): CA 66.920 66.920 65.755 1.165 RESID 108 (V): CB 31.430 31.430 31.328 0.103 RESID 108 (V): H 7.015 7.015 7.493 -0.478 RESID 109 (A): N 121.400 121.400 123.067 -1.667 RESID 109 (A): C 181.100 181.100 179.246 1.854 RESID 109 (A): CA 55.540 55.540 55.005 0.535 RESID 109 (A): CB 17.900 17.900 18.000 -0.100 RESID 109 (A): H 8.262 8.262 8.150 0.112 RESID 110 (A): N 118.800 118.800 119.523 -0.723 RESID 110 (A): C 178.900 178.900 178.652 0.248 RESID 110 (A): CA 54.300 54.300 54.545 -0.246 RESID 110 (A): CB 18.460 18.460 18.485 -0.025 RESID 110 (A): H 7.607 7.607 7.914 -0.307 RESID 111 (Q): N 113.500 113.500 114.527 -1.027 RESID 111 (Q): C 174.900 174.900 175.962 -1.062 RESID 111 (Q): CA 55.160 55.160 54.263 0.897 RESID 111 (Q): CB 28.450 28.450 28.671 -0.221 RESID 111 (Q): H 7.148 7.148 7.443 -0.295 RESID 112 (M): N 114.700 114.700 120.795 -6.095 RESID 112 (M): C 173.300 173.300 173.231 0.069 RESID 112 (M): CA 55.900 55.900 55.542 0.358 RESID 112 (M): CB 30.300 30.300 31.739 -1.439 RESID 112 (M): H 7.882 7.882 7.945 -0.063 RESID 113 (P): C 176.700 176.700 176.251 0.449 RESID 113 (P): CA 62.820 62.820 62.606 0.214 RESID 113 (P): CB 33.340 33.340 32.955 0.385 RESID 114 (D): N 115.800 115.800 117.930 -2.130 RESID 114 (D): C 175.900 175.900 175.931 -0.031 RESID 114 (D): CA 53.150 53.150 55.226 -2.076 RESID 114 (D): CB 40.990 40.990 42.930 -1.940 RESID 114 (D): H 8.850 8.850 8.240 0.610 RESID 115 (L): C 174.900 174.900 174.296 0.604 RESID 115 (L): CA 52.800 52.800 54.135 -1.335 RESID 116 (I): N 123.500 123.500 126.231 -2.731 RESID 116 (I): CA 60.270 60.270 60.104 0.166 RESID 116 (I): H 9.340 9.340 8.029 1.311 RESID 118 (I): C 174.400 174.400 175.426 -1.026 RESID 118 (I): CA 60.250 60.250 59.796 0.454 RESID 118 (I): CB 42.610 42.610 41.451 1.159 RESID 119 (S): N 121.600 121.600 121.520 0.080 RESID 119 (S): C 175.700 175.700 175.111 0.589 RESID 119 (S): CA 57.150 57.150 57.740 -0.590 RESID 119 (S): CB 65.280 65.280 64.585 0.695 RESID 119 (S): H 9.575 9.575 8.555 1.020 RESID 120 (A): N 126.000 126.000 124.612 1.388 RESID 120 (A): C 176.900 176.900 177.436 -0.536 RESID 120 (A): CA 54.300 54.300 54.350 -0.050 RESID 120 (A): CB 20.530 20.530 18.992 1.538 RESID 120 (A): H 8.143 8.143 8.691 -0.548 RESID 121 (T): N 106.400 106.400 110.514 -4.114 RESID 121 (T): C 173.000 173.000 173.108 -0.108 RESID 121 (T): CA 59.450 59.450 61.924 -2.474 RESID 121 (T): CB 72.310 72.310 70.711 1.599 RESID 121 (T): H 7.617 7.617 7.854 -0.237 RESID 122 (G): N 104.200 104.200 110.784 -6.584 RESID 122 (G): C 177.200 177.200 174.135 3.065 RESID 122 (G): CA 44.430 44.430 45.191 -0.761 RESID 122 (G): H 7.998 7.998 7.837 0.161 RESID 123 (G): C 174.100 174.100 174.316 -0.216 RESID 123 (G): CA 46.710 46.710 45.668 1.042 RESID 124 (D): N 116.900 116.900 119.143 -2.243 RESID 124 (D): C 176.900 176.900 175.740 1.160 RESID 124 (D): CA 52.320 52.320 52.928 -0.608 RESID 124 (D): CB 40.690 40.690 40.635 0.055 RESID 124 (D): H 8.617 8.617 7.723 0.894 RESID 125 (S): N 115.100 115.100 119.098 -3.998 RESID 125 (S): C 176.900 176.900 175.179 1.721 RESID 125 (S): CA 58.750 58.750 58.677 0.073 RESID 125 (S): CB 64.190 64.190 64.063 0.127 RESID 125 (S): H 7.322 7.322 8.440 -1.118 RESID 126 (A): N 134.900 134.900 130.125 4.775 RESID 126 (A): C 176.700 176.700 178.652 -1.952 RESID 126 (A): CA 51.150 51.150 53.495 -2.345 RESID 126 (A): CB 16.850 16.850 19.091 -2.241 RESID 126 (A): H 8.837 8.837 8.611 0.226 RESID 127 (L): N 121.000 121.000 121.030 -0.030 RESID 127 (L): C 178.900 178.900 178.337 0.563 RESID 127 (L): CA 58.730 58.730 57.266 1.464 RESID 127 (L): CB 42.840 42.840 41.615 1.225 RESID 127 (L): H 7.353 7.353 8.155 -0.802 RESID 128 (A): N 121.600 121.600 118.114 3.486 RESID 128 (A): C 178.900 178.900 178.115 0.785 RESID 128 (A): CA 55.010 55.010 54.157 0.853 RESID 128 (A): CB 18.200 18.200 18.691 -0.491 RESID 128 (A): H 8.918 8.918 7.621 1.297 RESID 129 (L): N 116.800 116.800 116.189 0.611 RESID 129 (L): C 177.000 177.000 177.888 -0.888 RESID 129 (L): CA 53.930 53.930 55.213 -1.283 RESID 129 (L): CB 42.710 42.710 43.110 -0.400 RESID 129 (L): H 7.776 7.776 7.421 0.355 RESID 130 (Y): N 122.000 122.000 122.823 -0.823 RESID 130 (Y): C 177.100 177.100 176.737 0.363 RESID 130 (Y): CA 64.420 64.420 62.947 1.473 RESID 130 (Y): CB 39.470 39.470 38.435 1.035 RESID 130 (Y): H 7.891 7.891 8.981 -1.090 RESID 131 (D): N 119.000 119.000 117.824 1.176 RESID 131 (D): C 178.300 178.300 178.391 -0.091 RESID 131 (D): CA 58.040 58.040 57.431 0.609 RESID 131 (D): CB 39.660 39.660 39.385 0.275 RESID 131 (D): H 9.014 9.014 8.099 0.915 RESID 132 (Q): N 118.900 118.900 119.832 -0.932 RESID 132 (Q): C 179.100 179.100 178.797 0.303 RESID 132 (Q): CA 58.930 58.930 58.727 0.202 RESID 132 (Q): CB 29.320 29.320 28.728 0.592 RESID 132 (Q): H 7.814 7.814 7.961 -0.147 RESID 133 (L): N 119.700 119.700 120.135 -0.435 RESID 133 (L): C 177.900 177.900 178.599 -0.699 RESID 133 (L): CA 57.910 57.910 57.648 0.262 RESID 133 (L): CB 40.980 40.980 41.789 -0.810 RESID 133 (L): H 8.450 8.450 8.796 -0.346 RESID 134 (S): N 111.800 111.800 114.899 -3.099 RESID 134 (S): C 175.500 175.500 175.834 -0.334 RESID 134 (S): CA 61.160 61.160 60.923 0.237 RESID 134 (S): CB 63.450 63.450 62.707 0.743 RESID 134 (S): H 8.128 8.128 8.448 -0.320 RESID 135 (T): N 111.100 111.100 116.005 -4.905 RESID 135 (T): C 175.300 175.300 176.615 -1.315 RESID 135 (T): CA 63.230 63.230 65.309 -2.079 RESID 135 (T): CB 69.670 69.670 69.006 0.664 RESID 135 (T): H 6.953 6.953 7.553 -0.600 RESID 136 (I): N 124.400 124.400 120.485 3.915 RESID 136 (I): C 175.800 175.800 175.553 0.247 RESID 136 (I): CA 63.940 63.940 64.030 -0.090 RESID 136 (I): CB 38.870 38.870 38.569 0.301 RESID 136 (I): H 7.694 7.694 7.352 0.342 RESID 137 (A): N 120.500 120.500 118.596 1.904 RESID 137 (A): C 172.300 172.300 173.983 -1.683 RESID 137 (A): CA 50.470 50.470 50.571 -0.101 RESID 137 (A): CB 19.320 19.320 19.489 -0.169 RESID 137 (A): H 7.540 7.540 7.968 -0.428 RESID 138 (P): C 174.700 174.700 176.199 -1.499 RESID 138 (P): CA 64.700 64.700 63.605 1.095 RESID 138 (P): CB 31.610 31.610 31.533 0.077 RESID 139 (T): N 122.000 122.000 119.860 2.140 RESID 139 (T): C 173.900 173.900 173.950 -0.050 RESID 139 (T): CA 61.630 61.630 63.186 -1.556 RESID 139 (T): CB 71.540 71.540 69.678 1.862 RESID 139 (T): H 7.990 7.990 8.159 -0.169 RESID 140 (L): C 174.900 174.900 174.292 0.608 RESID 140 (L): CA 52.740 52.740 53.516 -0.776 RESID 140 (L): CB 46.680 46.680 46.105 0.575 RESID 141 (I): N 123.500 123.500 125.603 -2.103 RESID 141 (I): C 175.700 175.700 174.690 1.010 RESID 141 (I): CA 60.250 60.250 61.146 -0.896 RESID 141 (I): CB 39.590 39.590 38.594 0.996 RESID 141 (I): H 9.345 9.345 7.882 1.463 RESID 142 (I): N 129.000 129.000 127.070 1.930 RESID 142 (I): C 174.400 174.400 174.183 0.217 RESID 142 (I): CA 57.930 57.930 59.840 -1.910 RESID 142 (I): CB 39.690 39.690 42.192 -2.502 RESID 142 (I): H 9.030 9.030 8.945 0.085 RESID 143 (N): N 129.100 129.100 124.181 4.919 RESID 143 (N): C 174.700 174.700 174.219 0.481 RESID 143 (N): CA 51.390 51.390 53.357 -1.967 RESID 143 (N): CB 39.720 39.720 39.597 0.123 RESID 143 (N): H 9.388 9.388 8.688 0.700 RESID 144 (Y): N 119.900 119.900 125.921 -6.021 RESID 144 (Y): C 176.500 176.500 174.777 1.723 RESID 144 (Y): CA 55.820 55.820 59.508 -3.688 RESID 144 (Y): CB 39.120 39.120 39.270 -0.150 RESID 144 (Y): H 8.491 8.491 8.490 0.001 RESID 145 (D): N 125.200 125.200 124.429 0.771 RESID 145 (D): C 176.800 176.800 175.012 1.788 RESID 145 (D): CA 55.220 55.220 55.430 -0.210 RESID 145 (D): CB 43.120 43.120 39.802 3.318 RESID 145 (D): H 8.800 8.800 8.355 0.445 RESID 146 (D): N 119.100 119.100 115.008 4.092 RESID 146 (D): C 175.200 175.200 175.241 -0.041 RESID 146 (D): CA 53.230 53.230 53.640 -0.410 RESID 146 (D): CB 40.760 40.760 42.490 -1.730 RESID 146 (D): H 7.571 7.571 8.606 -1.035 RESID 147 (K): N 114.100 114.100 119.867 -5.767 RESID 147 (K): C 175.000 175.000 175.287 -0.287 RESID 147 (K): CA 54.070 54.070 55.617 -1.547 RESID 147 (K): CB 33.340 33.340 35.044 -1.704 RESID 147 (K): H 7.018 7.018 7.571 -0.553 RESID 148 (S): N 118.300 118.300 118.822 -0.522 RESID 148 (S): C 175.700 175.700 176.087 -0.387 RESID 148 (S): CA 57.120 57.120 57.209 -0.089 RESID 148 (S): CB 64.970 64.970 64.245 0.725 RESID 148 (S): H 8.709 8.709 8.479 0.230 RESID 149 (W): N 121.700 121.700 119.922 1.778 RESID 149 (W): C 179.300 179.300 177.233 2.067 RESID 149 (W): CA 59.890 59.890 58.552 1.338 RESID 149 (W): CB 27.660 27.660 28.381 -0.721 RESID 149 (W): H 8.779 8.779 8.898 -0.119 RESID 150 (Q): N 124.600 124.600 121.397 3.203 RESID 150 (Q): C 178.100 178.100 177.801 0.299 RESID 150 (Q): CA 61.660 61.660 58.298 3.362 RESID 150 (Q): CB 26.550 26.550 27.760 -1.210 RESID 150 (Q): H 8.369 8.369 6.760 1.609 RESID 151 (S): N 117.500 117.500 116.378 1.122 RESID 151 (S): C 177.500 177.500 176.904 0.596 RESID 151 (S): CA 61.760 61.760 61.257 0.503 RESID 151 (S): CB 63.360 63.360 62.770 0.590 RESID 151 (S): H 7.769 7.769 7.712 0.057 RESID 152 (L): N 125.200 125.200 122.748 2.452 RESID 152 (L): C 178.700 178.700 178.151 0.549 RESID 152 (L): CA 58.320 58.320 57.930 0.390 RESID 152 (L): CB 41.980 41.980 41.702 0.278 RESID 152 (L): H 8.460 8.460 8.380 0.080 RESID 153 (L): N 119.200 119.200 118.653 0.547 RESID 153 (L): C 179.700 179.700 178.663 1.037 RESID 153 (L): CA 58.960 58.960 57.526 1.434 RESID 153 (L): CB 41.270 41.270 41.365 -0.096 RESID 153 (L): H 8.562 8.562 7.639 0.923 RESID 154 (T): N 116.300 116.300 112.847 3.453 RESID 154 (T): C 177.200 177.200 176.891 0.309 RESID 154 (T): CA 67.290 67.290 65.985 1.305 RESID 154 (T): CB 68.640 68.640 68.099 0.541 RESID 154 (T): H 8.004 8.004 7.886 0.118 RESID 155 (Q): N 124.500 124.500 120.996 3.504 RESID 155 (Q): C 179.200 179.200 178.006 1.194 RESID 155 (Q): CA 59.710 59.710 58.344 1.366 RESID 155 (Q): CB 28.620 28.620 28.347 0.273 RESID 155 (Q): H 8.230 8.230 7.910 0.320 RESID 156 (L): C 180.900 180.900 179.275 1.625 RESID 156 (L): CA 57.540 57.540 56.922 0.618 RESID 156 (L): CB 41.710 41.710 41.835 -0.125 RESID 157 (G): N 112.800 112.800 107.032 5.768 RESID 157 (G): C 174.500 174.500 175.062 -0.562 RESID 157 (G): CA 48.300 48.300 46.518 1.782 RESID 157 (G): H 9.216 9.216 7.999 1.217 RESID 158 (E): N 123.500 123.500 118.631 4.869 RESID 158 (E): C 177.800 177.800 177.138 0.662 RESID 158 (E): CA 59.120 59.120 57.845 1.275 RESID 158 (E): CB 29.700 29.700 29.385 0.315 RESID 158 (E): H 7.480 7.480 7.470 0.010 RESID 160 (T): C 178.300 178.300 175.999 2.301 RESID 160 (T): CA 61.930 61.930 63.108 -1.178 RESID 160 (T): CB 71.830 71.830 69.179 2.651 RESID 161 (G): N 113.600 113.600 113.844 -0.244 RESID 161 (G): C 174.600 174.600 174.149 0.451 RESID 161 (G): CA 48.130 48.130 46.888 1.242 RESID 161 (G): H 8.114 8.114 8.989 -0.875 RESID 162 (H): N 121.000 121.000 116.028 4.972 RESID 162 (H): C 174.000 174.000 176.148 -2.148 RESID 162 (H): CA 55.370 55.370 55.826 -0.456 RESID 162 (H): CB 28.280 28.280 31.277 -2.997 RESID 162 (H): H 8.506 8.506 7.832 0.674 RESID 163 (E): N 123.900 123.900 122.161 1.739 RESID 163 (E): C 180.800 180.800 178.467 2.333 RESID 163 (E): CA 61.160 61.160 59.727 1.433 RESID 163 (E): CB 28.720 28.720 29.153 -0.433 RESID 163 (E): H 10.300 10.300 8.764 1.536 RESID 164 (K): N 120.600 120.600 119.507 1.093 RESID 164 (K): C 178.700 178.700 178.709 -0.009 RESID 164 (K): CA 59.590 59.590 59.951 -0.361 RESID 164 (K): CB 32.280 32.280 32.092 0.188 RESID 164 (K): H 8.789 8.789 8.413 0.376 RESID 165 (Q): N 119.500 119.500 118.148 1.352 RESID 165 (Q): C 178.800 178.800 178.398 0.402 RESID 165 (Q): CA 60.870 60.870 58.750 2.120 RESID 165 (Q): CB 28.120 28.120 28.277 -0.157 RESID 165 (Q): H 8.058 8.058 8.109 -0.051 RESID 166 (A): N 121.100 121.100 122.434 -1.334 RESID 166 (A): C 178.000 178.000 179.425 -1.425 RESID 166 (A): CA 56.280 56.280 54.960 1.320 RESID 166 (A): CB 18.300 18.300 18.073 0.227 RESID 166 (A): H 7.873 7.873 8.023 -0.150 RESID 167 (A): N 117.900 117.900 120.936 -3.036 RESID 167 (A): C 181.500 181.500 179.608 1.892 RESID 167 (A): CA 55.100 55.100 55.258 -0.158 RESID 167 (A): CB 17.860 17.860 18.165 -0.305 RESID 167 (A): H 7.642 7.642 8.750 -1.108 RESID 168 (E): N 120.100 120.100 118.573 1.527 RESID 168 (E): C 179.600 179.600 179.128 0.472 RESID 168 (E): CA 59.610 59.610 59.619 -0.009 RESID 168 (E): CB 29.790 29.790 29.337 0.453 RESID 168 (E): H 8.230 8.230 7.911 0.319 RESID 170 (I): C 177.700 177.700 177.702 -0.002 RESID 170 (I): CA 66.880 66.880 65.305 1.575 RESID 170 (I): CB 39.310 39.310 37.951 1.359 RESID 171 (A): N 120.700 120.700 123.174 -2.474 RESID 171 (A): C 181.200 181.200 179.840 1.360 RESID 171 (A): CA 55.290 55.290 55.629 -0.339 RESID 171 (A): CB 18.260 18.260 18.119 0.141 RESID 171 (A): H 8.000 8.000 8.771 -0.771 RESID 172 (Q): N 120.600 120.600 118.016 2.584 RESID 172 (Q): C 179.200 179.200 178.577 0.623 RESID 172 (Q): CA 59.210 59.210 58.496 0.714 RESID 172 (Q): CB 28.340 28.340 28.598 -0.258 RESID 172 (Q): H 8.585 8.585 7.951 0.634 RESID 173 (F): N 122.500 122.500 122.618 -0.118 RESID 173 (F): C 176.400 176.400 177.407 -1.007 RESID 173 (F): CA 62.710 62.710 61.112 1.598 RESID 173 (F): CB 39.490 39.490 39.121 0.369 RESID 173 (F): H 8.457 8.457 8.760 -0.303 RESID 174 (D): N 121.000 121.000 120.084 0.916 RESID 174 (D): C 180.300 180.300 178.875 1.425 RESID 174 (D): CA 58.040 58.040 57.491 0.549 RESID 174 (D): CB 40.160 40.160 40.251 -0.091 RESID 174 (D): H 8.771 8.771 9.028 -0.257 RESID 175 (K): N 121.300 121.300 120.227 1.073 RESID 175 (K): C 179.800 179.800 178.634 1.166 RESID 175 (K): CA 59.630 59.630 59.640 -0.010 RESID 175 (K): CB 32.710 32.710 32.395 0.315 RESID 175 (K): H 8.125 8.125 8.097 0.028 RESID 176 (Q): N 121.600 121.600 119.523 2.077 RESID 176 (Q): C 179.100 179.100 178.322 0.778 RESID 176 (Q): CA 58.460 58.460 58.947 -0.487 RESID 176 (Q): CB 27.990 27.990 28.523 -0.533 RESID 176 (Q): H 8.164 8.164 7.826 0.338 RESID 177 (L): N 125.600 125.600 119.594 6.006 RESID 177 (L): C 178.400 178.400 178.683 -0.283 RESID 177 (L): CA 59.890 59.890 57.238 2.652 RESID 177 (L): CB 41.200 41.200 41.359 -0.159 RESID 177 (L): H 8.944 8.944 7.741 1.203 RESID 178 (A): N 121.500 121.500 122.547 -1.047 RESID 178 (A): C 180.600 180.600 179.229 1.371 RESID 178 (A): CA 55.390 55.390 55.196 0.194 RESID 178 (A): CB 17.970 17.970 17.883 0.087 RESID 178 (A): H 7.690 7.690 8.233 -0.543 RESID 179 (A): N 120.200 120.200 120.994 -0.794 RESID 179 (A): C 180.600 180.600 179.887 0.713 RESID 179 (A): CA 54.860 54.860 54.525 0.335 RESID 179 (A): CB 18.190 18.190 18.598 -0.408 RESID 179 (A): H 7.706 7.706 7.669 0.037 RESID 180 (A): N 121.800 121.800 121.817 -0.017 RESID 180 (A): C 179.200 179.200 179.102 0.098 RESID 180 (A): CA 55.490 55.490 54.745 0.745 RESID 180 (A): CB 17.920 17.920 18.179 -0.259 RESID 180 (A): H 8.171 8.171 8.019 0.152 RESID 181 (K): N 118.100 118.100 117.991 0.109 RESID 181 (K): C 178.000 178.000 178.071 -0.071 RESID 181 (K): CA 59.830 59.830 59.240 0.590 RESID 181 (K): CB 33.340 33.340 32.638 0.702 RESID 181 (K): H 8.342 8.342 8.312 0.030 RESID 182 (E): N 114.400 114.400 116.526 -2.126 RESID 182 (E): C 177.300 177.300 177.454 -0.154 RESID 182 (E): CA 57.870 57.870 57.121 0.749 RESID 182 (E): CB 30.320 30.320 29.252 1.068 RESID 182 (E): H 7.153 7.153 7.753 -0.600 RESID 183 (Q): N 116.700 116.700 117.399 -0.699 RESID 183 (Q): C 177.200 177.200 176.183 1.017 RESID 183 (Q): CA 57.060 57.060 56.842 0.218 RESID 183 (Q): CB 31.550 31.550 31.113 0.437 RESID 183 (Q): H 7.458 7.458 7.633 -0.175 RESID 184 (I): N 117.800 117.800 115.848 1.952 RESID 184 (I): C 175.200 175.200 174.243 0.957 RESID 184 (I): CA 63.000 63.000 59.745 3.255 RESID 184 (I): CB 40.300 40.300 39.960 0.340 RESID 184 (I): H 7.723 7.723 7.429 0.294 RESID 185 (K): N 127.700 127.700 122.932 4.768 RESID 185 (K): C 175.600 175.600 175.637 -0.037 RESID 185 (K): CA 54.550 54.550 55.124 -0.574 RESID 185 (K): CB 31.600 31.600 34.494 -2.894 RESID 185 (K): H 8.743 8.743 7.911 0.832 RESID 186 (L): N 124.700 124.700 125.752 -1.052 RESID 186 (L): C 175.700 175.700 175.913 -0.213 RESID 186 (L): CA 54.240 54.240 51.905 2.335 RESID 186 (L): CB 41.050 41.050 40.667 0.383 RESID 186 (L): H 8.051 8.051 8.474 -0.423 RESID 188 (P): C 174.800 174.800 176.249 -1.449 RESID 188 (P): CA 65.060 65.060 63.579 1.481 RESID 188 (P): CB 32.670 32.670 31.680 0.990 RESID 189 (Q): N 121.300 121.300 120.596 0.704 RESID 189 (Q): C 174.800 174.800 173.105 1.695 RESID 189 (Q): CA 52.330 52.330 54.715 -2.385 RESID 189 (Q): CB 31.350 31.350 30.449 0.901 RESID 189 (Q): H 8.061 8.061 8.230 -0.169 RESID 190 (P): C 175.500 175.500 175.578 -0.078 RESID 190 (P): CA 62.820 62.820 62.330 0.490 RESID 190 (P): CB 35.450 35.450 32.650 2.800 RESID 191 (V): N 112.600 112.600 121.554 -8.954 RESID 191 (V): C 174.300 174.300 173.968 0.332 RESID 191 (V): CA 59.740 59.740 59.524 0.216 RESID 191 (V): CB 35.030 35.030 34.688 0.342 RESID 191 (V): H 9.214 9.214 8.502 0.712 RESID 192 (T): N 120.700 120.700 113.330 7.370 RESID 192 (T): C 172.300 172.300 172.090 0.210 RESID 192 (T): CA 63.030 63.030 59.521 3.509 RESID 192 (T): CB 71.550 71.550 71.259 0.291 RESID 192 (T): H 8.462 8.462 8.328 0.134 RESID 193 (A): N 132.900 132.900 122.998 9.902 RESID 193 (A): C 175.400 175.400 175.413 -0.013 RESID 193 (A): CA 50.570 50.570 51.105 -0.535 RESID 193 (A): CB 21.140 21.140 21.463 -0.323 RESID 193 (A): H 10.170 10.170 8.557 1.613 RESID 194 (I): N 115.400 115.400 117.436 -2.036 RESID 194 (I): C 176.600 176.600 173.693 2.907 RESID 194 (I): CA 59.540 59.540 60.004 -0.464 RESID 194 (I): CB 43.930 43.930 42.116 1.814 RESID 194 (I): H 9.269 9.269 8.556 0.713 RESID 195 (V): N 118.500 118.500 122.733 -4.233 RESID 195 (V): C 176.200 176.200 174.061 2.139 RESID 195 (V): CA 63.190 63.190 61.383 1.807 RESID 195 (V): CB 34.870 34.870 34.717 0.153 RESID 195 (V): H 8.484 8.484 8.646 -0.162 RESID 196 (Y): N 132.200 132.200 129.479 2.721 RESID 196 (Y): C 174.700 174.700 174.150 0.550 RESID 196 (Y): CA 57.000 57.000 57.414 -0.414 RESID 196 (Y): CB 41.250 41.250 40.155 1.095 RESID 196 (Y): H 9.989 9.989 8.982 1.007 RESID 197 (T): N 124.900 124.900 123.375 1.525 RESID 197 (T): C 174.300 174.300 173.380 0.920 RESID 197 (T): CA 60.740 60.740 60.626 0.114 RESID 197 (T): CB 68.560 68.560 71.579 -3.019 RESID 197 (T): H 8.262 8.262 7.824 0.438 RESID 198 (A): N 130.500 130.500 130.773 -0.273 RESID 198 (A): C 180.400 180.400 179.240 1.160 RESID 198 (A): CA 55.510 55.510 54.349 1.161 RESID 198 (A): CB 18.480 18.480 18.406 0.074 RESID 198 (A): H 8.524 8.524 8.860 -0.336 RESID 199 (A): N 118.700 118.700 123.560 -4.860 RESID 199 (A): C 177.700 177.700 178.707 -1.007 RESID 199 (A): CA 54.350 54.350 54.864 -0.514 RESID 199 (A): CB 18.350 18.350 17.931 0.419 RESID 199 (A): H 8.578 8.578 8.287 0.291 RESID 200 (A): N 116.700 116.700 120.540 -3.840 RESID 200 (A): C 176.600 176.600 177.251 -0.651 RESID 200 (A): CA 51.290 51.290 52.062 -0.772 RESID 200 (A): CB 20.180 20.180 18.860 1.321 RESID 200 (A): H 6.638 6.638 8.106 -1.468 RESID 201 (H): N 116.900 116.900 116.595 0.305 RESID 201 (H): C 172.900 172.900 173.402 -0.502 RESID 201 (H): CA 56.710 56.710 56.345 0.365 RESID 201 (H): CB 27.820 27.820 28.250 -0.430 RESID 201 (H): H 7.569 7.569 7.804 -0.235 RESID 202 (S): N 110.500 110.500 114.450 -3.950 RESID 202 (S): C 171.500 171.500 171.453 0.047 RESID 202 (S): CA 56.530 56.530 57.614 -1.084 RESID 202 (S): CB 66.170 66.170 66.305 -0.135 RESID 202 (S): H 7.109 7.109 7.798 -0.689 RESID 203 (A): N 120.900 120.900 123.800 -2.900 RESID 203 (A): C 174.900 174.900 175.273 -0.373 RESID 203 (A): CA 50.890 50.890 51.431 -0.541 RESID 203 (A): CB 24.510 24.510 22.195 2.315 RESID 203 (A): H 8.618 8.618 8.301 0.317 RESID 204 (N): N 118.900 118.900 118.806 0.094 RESID 204 (N): C 173.300 173.300 173.452 -0.152 RESID 204 (N): CA 51.520 51.520 52.064 -0.544 RESID 204 (N): CB 40.080 40.080 42.181 -2.101 RESID 204 (N): H 8.333 8.333 8.231 0.102 RESID 205 (L): N 127.200 127.200 121.681 5.519 RESID 205 (L): C 175.700 175.700 175.565 0.135 RESID 205 (L): CA 54.920 54.920 54.063 0.857 RESID 205 (L): CB 44.180 44.180 42.609 1.571 RESID 205 (L): H 9.265 9.265 7.616 1.649 RESID 206 (W): N 125.300 125.300 123.658 1.642 RESID 206 (W): C 177.100 177.100 176.457 0.643 RESID 206 (W): CA 56.630 56.630 57.358 -0.728 RESID 206 (W): CB 29.690 29.690 30.832 -1.143 RESID 206 (W): H 8.560 8.560 7.917 0.643 RESID 207 (T): N 112.000 112.000 110.136 1.864 RESID 207 (T): C 176.100 176.100 173.271 2.829 RESID 207 (T): CA 60.120 60.120 59.267 0.853 RESID 207 (T): CB 68.540 68.540 70.354 -1.814 RESID 207 (T): H 8.029 8.029 8.134 -0.105 RESID 208 (P): C 176.000 176.000 176.850 -0.850 RESID 208 (P): CA 66.120 66.120 65.397 0.723 RESID 208 (P): CB 31.950 31.950 32.166 -0.216 RESID 209 (E): N 112.300 112.300 115.038 -2.738 RESID 209 (E): C 177.100 177.100 176.801 0.299 RESID 209 (E): CA 57.280 57.280 57.209 0.071 RESID 209 (E): CB 29.760 29.760 30.145 -0.385 RESID 209 (E): H 7.612 7.612 7.957 -0.345 RESID 210 (S): N 115.800 115.800 115.062 0.738 RESID 210 (S): C 173.900 173.900 175.520 -1.620 RESID 210 (S): CA 58.060 58.060 59.159 -1.099 RESID 210 (S): CB 67.320 67.320 64.479 2.841 RESID 210 (S): H 7.654 7.654 7.431 0.223 RESID 211 (A): N 125.200 125.200 127.329 -2.129 RESID 211 (A): C 180.600 180.600 179.841 0.759 RESID 211 (A): CA 55.410 55.410 55.316 0.094 RESID 211 (A): CB 18.530 18.530 18.761 -0.231 RESID 211 (A): H 8.874 8.874 9.022 -0.148 RESID 212 (Q): N 119.200 119.200 118.632 0.568 RESID 212 (Q): C 177.100 177.100 178.018 -0.918 RESID 212 (Q): CA 61.410 61.410 58.975 2.435 RESID 212 (Q): CB 27.090 27.090 27.423 -0.333 RESID 212 (Q): H 8.493 8.493 8.476 0.017 RESID 213 (G): N 107.500 107.500 107.645 -0.145 RESID 213 (G): C 175.400 175.400 176.314 -0.914 RESID 213 (G): CA 47.520 47.520 46.820 0.700 RESID 213 (G): H 8.053 8.053 8.292 -0.239 RESID 214 (Q): N 120.700 120.700 121.505 -0.805 RESID 214 (Q): C 179.000 179.000 178.391 0.609 RESID 214 (Q): CA 59.150 59.150 58.869 0.281 RESID 214 (Q): CB 29.110 29.110 28.689 0.421 RESID 214 (Q): H 8.501 8.501 8.092 0.409 RESID 215 (M): N 119.200 119.200 120.609 -1.409 RESID 215 (M): C 177.800 177.800 178.176 -0.376 RESID 215 (M): CA 59.760 59.760 59.640 0.120 RESID 215 (M): CB 32.050 32.050 32.844 -0.794 RESID 215 (M): H 7.878 7.878 8.206 -0.328 RESID 216 (L): N 115.800 115.800 118.832 -3.032 RESID 216 (L): C 179.900 179.900 179.025 0.875 RESID 216 (L): CA 58.160 58.160 57.657 0.503 RESID 216 (L): CB 40.010 40.010 41.456 -1.446 RESID 216 (L): H 7.517 7.517 7.985 -0.468 RESID 217 (E): N 121.000 121.000 119.682 1.318 RESID 217 (E): C 182.200 182.200 179.239 2.961 RESID 217 (E): CA 60.210 60.210 58.930 1.280 RESID 217 (E): CB 29.150 29.150 29.422 -0.272 RESID 217 (E): H 8.377 8.377 8.189 0.188 RESID 218 (Q): N 122.300 122.300 117.111 5.189 RESID 218 (Q): C 178.100 178.100 178.847 -0.747 RESID 218 (Q): CA 59.220 59.220 58.251 0.969 RESID 218 (Q): CB 28.850 28.850 29.114 -0.264 RESID 218 (Q): H 8.464 8.464 7.921 0.543 RESID 219 (L): N 118.400 118.400 117.643 0.757 RESID 219 (L): C 175.200 175.200 177.447 -2.247 RESID 219 (L): CA 55.880 55.880 57.223 -1.343 RESID 219 (L): CB 44.330 44.330 42.889 1.440 RESID 219 (L): H 7.433 7.433 7.763 -0.330 RESID 220 (G): N 104.600 104.600 102.686 1.914 RESID 220 (G): C 174.700 174.700 172.929 1.771 RESID 220 (G): CA 44.750 44.750 44.688 0.062 RESID 220 (G): H 7.777 7.777 8.163 -0.386 RESID 221 (F): N 119.100 119.100 118.733 0.367 RESID 221 (F): C 175.200 175.200 174.112 1.088 RESID 221 (F): CA 57.900 57.900 55.980 1.920 RESID 221 (F): CB 38.930 38.930 42.541 -3.611 RESID 221 (F): H 8.001 8.001 7.791 0.210 RESID 222 (T): N 117.600 117.600 116.246 1.354 RESID 222 (T): C 173.900 173.900 173.495 0.405 RESID 222 (T): CA 61.790 61.790 61.286 0.504 RESID 222 (T): CB 71.360 71.360 69.496 1.864 RESID 222 (T): H 8.961 8.961 8.748 0.213 RESID 223 (L): N 128.300 128.300 127.061 1.239 RESID 223 (L): C 178.300 178.300 176.663 1.637 RESID 223 (L): CA 54.760 54.760 53.393 1.367 RESID 223 (L): CB 41.600 41.600 42.765 -1.165 RESID 223 (L): H 9.269 9.269 8.207 1.062 RESID 224 (A): N 126.800 126.800 128.082 -1.282 RESID 224 (A): C 177.400 177.400 175.862 1.538 RESID 224 (A): CA 52.460 52.460 50.993 1.466 RESID 224 (A): CB 18.650 18.650 20.824 -2.174 RESID 224 (A): H 9.077 9.077 8.107 0.970 RESID 225 (K): N 123.400 123.400 121.200 2.200 RESID 225 (K): C 176.800 176.800 176.194 0.606 RESID 225 (K): CA 55.600 55.600 55.575 0.025 RESID 225 (K): CB 33.080 33.080 32.898 0.183 RESID 225 (K): H 8.601 8.601 8.364 0.237 RESID 226 (L): N 126.200 126.200 128.013 -1.813 RESID 226 (L): C 175.500 175.500 175.605 -0.105 RESID 226 (L): CA 53.420 53.420 53.960 -0.540 RESID 226 (L): CB 41.720 41.720 41.245 0.475 RESID 226 (L): H 8.634 8.634 8.520 0.114 RESID 227 (P): C 176.800 176.800 177.072 -0.272 RESID 227 (P): CA 62.860 62.860 62.881 -0.021 RESID 227 (P): CB 32.360 32.360 32.193 0.167 RESID 228 (A): N 124.900 124.900 124.822 0.078 RESID 228 (A): C 179.500 179.500 178.502 0.998 RESID 228 (A): CA 54.120 54.120 53.422 0.697 RESID 228 (A): CB 18.710 18.710 18.704 0.006 RESID 228 (A): H 8.412 8.412 8.514 -0.102 RESID 229 (G): N 107.700 107.700 107.509 0.191 RESID 229 (G): C 175.000 175.000 175.971 -0.971 RESID 229 (G): CA 46.040 46.040 45.436 0.604 RESID 229 (G): H 8.565 8.565 8.104 0.461 RESID 230 (L): N 121.100 121.100 122.268 -1.168 RESID 230 (L): C 176.900 176.900 178.375 -1.475 RESID 230 (L): CA 55.620 55.620 55.495 0.125 RESID 230 (L): CB 42.630 42.630 41.664 0.966 RESID 230 (L): H 7.454 7.454 7.866 -0.412 RESID 231 (N): N 119.400 119.400 119.883 -0.483 RESID 231 (N): C 175.300 175.300 175.914 -0.614 RESID 231 (N): CA 53.650 53.650 56.109 -2.459 RESID 231 (N): CB 38.940 38.940 37.978 0.962 RESID 231 (N): H 8.211 8.211 8.010 0.201 RESID 232 (A): N 124.500 124.500 119.549 4.951 RESID 232 (A): C 178.100 178.100 178.048 0.052 RESID 232 (A): CA 53.110 53.110 51.723 1.387 RESID 232 (A): CB 19.340 19.340 17.993 1.347 RESID 232 (A): H 8.103 8.103 7.954 0.149 RESID 233 (S): N 115.200 115.200 115.199 0.001 RESID 233 (S): C 175.100 175.100 175.568 -0.468 RESID 233 (S): CA 59.280 59.280 60.964 -1.684 RESID 233 (S): CB 64.280 64.280 63.334 0.946 RESID 233 (S): H 8.169 8.169 8.416 -0.247 RESID 234 (Q): N 122.100 122.100 120.585 1.515 RESID 234 (Q): C 176.400 176.400 175.659 0.741 RESID 234 (Q): CA 56.240 56.240 56.036 0.204 RESID 234 (Q): CB 29.490 29.490 30.837 -1.347 RESID 234 (Q): H 8.230 8.230 7.766 0.464 RESID 235 (S): N 117.100 117.100 118.134 -1.034 RESID 235 (S): C 174.900 174.900 174.675 0.225 RESID 235 (S): CA 58.910 58.910 58.924 -0.014 RESID 235 (S): CB 64.510 64.510 62.874 1.636 RESID 235 (S): H 8.229 8.229 8.444 -0.215 RESID 236 (Q): N 122.300 122.300 127.096 -4.796 RESID 236 (Q): C 176.700 176.700 175.439 1.261 RESID 236 (Q): CA 56.610 56.610 55.498 1.112 RESID 236 (Q): CB 29.280 29.280 27.633 1.647 RESID 236 (Q): H 8.372 8.372 8.843 -0.471 RESID 237 (G): N 110.400 110.400 109.030 1.370 RESID 237 (G): C 174.100 174.100 172.965 1.135 RESID 237 (G): CA 45.720 45.720 45.470 0.250 RESID 237 (G): H 8.381 8.381 7.580 0.801 RESID 238 (K): N 120.500 120.500 121.447 -0.947 RESID 238 (K): C 176.600 176.600 175.481 1.119 RESID 238 (K): CA 56.490 56.490 56.038 0.452 RESID 238 (K): CB 33.320 33.320 32.772 0.548 RESID 238 (K): H 7.968 7.968 8.358 -0.390 RESID 239 (R): N 120.900 120.900 125.008 -4.108 RESID 239 (R): CA 56.130 56.130 55.948 0.182 RESID 239 (R): CB 31.560 31.560 30.914 0.646 RESID 239 (R): H 8.159 8.159 8.504 -0.345 RESID 240 (H): C 174.800 174.800 176.508 -1.708 RESID 240 (H): CA 55.740 55.740 58.674 -2.934 RESID 240 (H): CB 29.760 29.760 30.073 -0.313 RESID 241 (D): N 119.800 119.800 119.239 0.561 RESID 241 (D): C 174.700 174.700 176.270 -1.570 RESID 241 (D): CA 55.500 55.500 55.981 -0.481 RESID 241 (D): CB 40.550 40.550 41.215 -0.665 RESID 241 (D): H 9.052 9.052 8.389 0.663 RESID 242 (I): N 115.200 115.200 114.919 0.281 RESID 242 (I): C 175.600 175.600 174.438 1.162 RESID 242 (I): CA 59.090 59.090 59.057 0.033 RESID 242 (I): CB 43.670 43.670 40.970 2.700 RESID 242 (I): H 7.087 7.087 7.401 -0.314 RESID 243 (I): N 125.100 125.100 126.281 -1.181 RESID 243 (I): C 175.300 175.300 174.265 1.035 RESID 243 (I): CA 60.340 60.340 60.629 -0.289 RESID 243 (I): CB 41.290 41.290 38.399 2.891 RESID 243 (I): H 8.746 8.746 8.498 0.248 RESID 244 (Q): N 128.400 128.400 127.534 0.866 RESID 244 (Q): C 175.300 175.300 174.254 1.046 RESID 244 (Q): CA 56.460 56.460 54.921 1.539 RESID 244 (Q): CB 29.800 29.800 29.786 0.014 RESID 244 (Q): H 8.768 8.768 8.602 0.166 RESID 245 (L): N 125.500 125.500 123.466 2.034 RESID 245 (L): C 176.200 176.200 176.627 -0.427 RESID 245 (L): CA 53.790 53.790 53.103 0.687 RESID 245 (L): CB 45.100 45.100 44.855 0.245 RESID 245 (L): H 8.640 8.640 8.347 0.293 RESID 246 (G): N 109.700 109.700 105.071 4.629 RESID 246 (G): C 174.200 174.200 174.327 -0.127 RESID 246 (G): CA 44.590 44.590 45.044 -0.454 RESID 246 (G): H 8.424 8.424 8.447 -0.023 RESID 247 (G): N 108.500 108.500 108.654 -0.154 RESID 247 (G): C 176.800 176.800 174.976 1.824 RESID 247 (G): CA 47.500 47.500 44.344 3.156 RESID 247 (G): H 8.666 8.666 7.745 0.921 RESID 248 (E): N 123.700 123.700 121.191 2.509 RESID 248 (E): C 177.300 177.300 176.491 0.809 RESID 248 (E): CA 58.560 58.560 57.520 1.040 RESID 248 (E): CB 29.330 29.330 29.119 0.211 RESID 248 (E): H 9.265 9.265 8.821 0.444 RESID 249 (N): N 116.700 116.700 116.690 0.010 RESID 249 (N): C 175.500 175.500 176.022 -0.522 RESID 249 (N): CA 53.490 53.490 53.525 -0.035 RESID 249 (N): CB 39.390 39.390 38.876 0.514 RESID 249 (N): H 7.963 7.963 7.872 0.091 RESID 250 (L): N 121.100 121.100 119.929 1.171 RESID 250 (L): C 177.100 177.100 178.105 -1.005 RESID 250 (L): CA 58.810 58.810 57.060 1.750 RESID 250 (L): CB 42.220 42.220 41.464 0.756 RESID 250 (L): H 7.104 7.104 7.808 -0.704 RESID 251 (A): N 117.400 117.400 122.365 -4.965 RESID 251 (A): C 179.500 179.500 178.165 1.335 RESID 251 (A): CA 55.340 55.340 54.661 0.679 RESID 251 (A): CB 17.960 17.960 18.386 -0.426 RESID 251 (A): H 8.141 8.141 8.315 -0.174 RESID 252 (A): N 117.400 117.400 118.560 -1.160 RESID 252 (A): C 179.100 179.100 178.328 0.772 RESID 252 (A): CA 53.990 53.990 52.391 1.599 RESID 252 (A): CB 18.970 18.970 18.951 0.019 RESID 252 (A): H 7.375 7.375 8.407 -1.032 RESID 253 (G): N 100.600 100.600 107.909 -7.309 RESID 253 (G): C 172.700 172.700 174.793 -2.093 RESID 253 (G): CA 45.380 45.380 45.028 0.352 RESID 253 (G): H 7.589 7.589 7.537 0.052 RESID 254 (L): N 124.800 124.800 122.837 1.963 RESID 254 (L): C 175.300 175.300 177.594 -2.294 RESID 254 (L): CA 53.020 53.020 54.874 -1.854 RESID 254 (L): CB 39.090 39.090 42.111 -3.021 RESID 254 (L): H 7.202 7.202 7.795 -0.593 RESID 255 (N): N 113.800 113.800 121.488 -7.688 RESID 255 (N): C 176.600 176.600 176.258 0.342 RESID 255 (N): CA 53.420 53.420 53.978 -0.559 RESID 255 (N): CB 37.600 37.600 38.820 -1.220 RESID 255 (N): H 7.701 7.701 8.842 -1.141 RESID 256 (G): N 109.100 109.100 106.640 2.460 RESID 256 (G): C 172.200 172.200 174.570 -2.370 RESID 256 (G): CA 45.790 45.790 45.343 0.447 RESID 256 (G): H 7.856 7.856 8.554 -0.698 RESID 257 (E): N 120.100 120.100 118.415 1.685 RESID 257 (E): C 176.900 176.900 175.581 1.319 RESID 257 (E): CA 57.880 57.880 56.524 1.356 RESID 257 (E): CB 29.760 29.760 30.544 -0.784 RESID 257 (E): H 8.443 8.443 8.661 -0.218 RESID 258 (S): N 107.500 107.500 113.468 -5.968 RESID 258 (S): C 172.500 172.500 172.502 -0.002 RESID 258 (S): CA 58.010 58.010 58.798 -0.788 RESID 258 (S): CB 66.360 66.360 63.867 2.493 RESID 258 (S): H 7.176 7.176 7.960 -0.784 RESID 259 (L): N 124.900 124.900 127.636 -2.736 RESID 259 (L): C 173.900 173.900 176.478 -2.578 RESID 259 (L): CA 53.630 53.630 54.466 -0.836 RESID 259 (L): CB 46.240 46.240 42.497 3.743 RESID 259 (L): H 8.969 8.969 8.015 0.954 RESID 260 (F): N 123.700 123.700 123.018 0.682 RESID 260 (F): C 174.200 174.200 176.025 -1.825 RESID 260 (F): CA 56.460 56.460 54.910 1.550 RESID 260 (F): CB 41.560 41.560 40.472 1.088 RESID 260 (F): H 9.295 9.295 8.156 1.139 RESID 261 (L): N 123.900 123.900 120.249 3.651 RESID 261 (L): C 177.600 177.600 177.085 0.515 RESID 261 (L): CA 54.010 54.010 53.195 0.815 RESID 261 (L): CB 41.470 41.470 45.484 -4.014 RESID 261 (L): H 9.034 9.034 8.180 0.854 RESID 262 (F): N 123.800 123.800 122.435 1.365 RESID 262 (F): C 175.500 175.500 175.664 -0.164 RESID 262 (F): CA 58.850 58.850 56.867 1.983 RESID 262 (F): CB 39.930 39.930 38.477 1.453 RESID 262 (F): H 9.338 9.338 9.073 0.265 RESID 263 (A): N 121.900 121.900 124.100 -2.200 RESID 263 (A): C 175.300 175.300 177.024 -1.724 RESID 263 (A): CA 53.630 53.630 52.666 0.964 RESID 263 (A): CB 19.700 19.700 16.800 2.900 RESID 263 (A): H 8.902 8.902 8.258 0.644 RESID 264 (G): N 104.500 104.500 111.516 -7.016 RESID 264 (G): C 171.100 171.100 172.732 -1.632 RESID 264 (G): CA 45.540 45.540 45.051 0.489 RESID 264 (G): H 6.746 6.746 7.862 -1.116 RESID 265 (D): N 122.300 122.300 122.696 -0.396 RESID 265 (D): C 177.300 177.300 177.266 0.034 RESID 265 (D): CA 51.660 51.660 52.787 -1.127 RESID 265 (D): CB 42.840 42.840 42.258 0.582 RESID 265 (D): H 9.052 9.052 8.126 0.926 RESID 266 (Q): N 118.400 118.400 119.623 -1.223 RESID 266 (Q): C 177.600 177.600 177.456 0.144 RESID 266 (Q): CA 58.620 58.620 59.071 -0.451 RESID 266 (Q): CB 28.490 28.490 28.649 -0.159 RESID 266 (Q): H 8.277 8.277 8.605 -0.328 RESID 267 (K): N 117.700 117.700 118.798 -1.098 RESID 267 (K): C 180.400 180.400 178.088 2.312 RESID 267 (K): CA 59.390 59.390 59.559 -0.169 RESID 267 (K): CB 31.440 31.440 31.785 -0.345 RESID 267 (K): H 7.879 7.879 7.923 -0.044 RESID 268 (D): N 121.600 121.600 119.648 1.952 RESID 268 (D): C 177.400 177.400 178.341 -0.941 RESID 268 (D): CA 57.980 57.980 56.981 0.999 RESID 268 (D): CB 41.550 41.550 40.252 1.298 RESID 268 (D): H 7.640 7.640 8.131 -0.491 RESID 269 (A): N 121.700 121.700 121.504 0.196 RESID 269 (A): C 179.000 179.000 178.416 0.584 RESID 269 (A): CA 55.640 55.640 54.921 0.719 RESID 269 (A): CB 17.490 17.490 18.191 -0.701 RESID 269 (A): H 7.370 7.370 7.625 -0.255 RESID 270 (D): N 118.200 118.200 118.096 0.104 RESID 270 (D): C 179.300 179.300 176.515 2.785 RESID 270 (D): CA 57.570 57.570 56.301 1.269 RESID 270 (D): CB 39.860 39.860 40.232 -0.372 RESID 270 (D): H 8.735 8.735 7.970 0.765 RESID 271 (A): N 122.900 122.900 119.917 2.983 RESID 271 (A): C 180.800 180.800 179.322 1.478 RESID 271 (A): CA 55.040 55.040 53.573 1.467 RESID 271 (A): CB 18.300 18.300 19.297 -0.997 RESID 271 (A): H 7.579 7.579 7.019 0.560 RESID 272 (I): N 0.000 0.000 120.463 -120.463 RESID 272 (I): C 178.300 178.300 176.961 1.339 RESID 272 (I): CA 63.880 63.880 64.644 -0.764 RESID 272 (I): CB 35.710 35.710 38.131 -2.421 RESID 272 (I): H 7.340 7.340 8.404 -1.064 RESID 273 (Y): N 116.300 116.300 116.975 -0.675 RESID 273 (Y): C 177.000 177.000 176.770 0.230 RESID 273 (Y): CA 61.100 61.100 58.289 2.811 RESID 273 (Y): CB 37.770 37.770 35.829 1.941 RESID 273 (Y): H 7.509 7.509 7.303 0.206 RESID 274 (A): N 118.600 118.600 121.867 -3.267 RESID 274 (A): C 177.200 177.200 177.188 0.012 RESID 274 (A): CA 52.030 52.030 53.013 -0.983 RESID 274 (A): CB 19.580 19.580 19.412 0.168 RESID 274 (A): H 7.495 7.495 7.817 -0.322 RESID 275 (N): N 119.900 119.900 118.239 1.661 RESID 275 (N): C 175.700 175.700 174.011 1.689 RESID 275 (N): CA 51.030 51.030 51.393 -0.363 RESID 275 (N): CB 38.590 38.590 36.987 1.603 RESID 275 (N): H 7.200 7.200 7.962 -0.762 RESID 276 (P): C 178.900 178.900 178.507 0.393 RESID 276 (P): CA 65.190 65.190 65.487 -0.297 RESID 276 (P): CB 32.440 32.440 32.040 0.400 RESID 277 (L): N 116.700 116.700 117.403 -0.703 RESID 277 (L): C 178.000 178.000 178.874 -0.874 RESID 277 (L): CA 56.630 56.630 57.545 -0.915 RESID 277 (L): CB 41.720 41.720 41.499 0.221 RESID 277 (L): H 7.777 7.777 7.931 -0.154 RESID 278 (L): N 115.100 115.100 116.560 -1.460 RESID 278 (L): C 176.600 176.600 177.861 -1.261 RESID 278 (L): CA 53.200 53.200 54.925 -1.725 RESID 278 (L): CB 40.960 40.960 41.315 -0.355 RESID 278 (L): H 7.485 7.485 7.678 -0.193 RESID 279 (A): N 118.600 118.600 123.095 -4.495 RESID 279 (A): C 177.700 177.700 177.806 -0.106 RESID 279 (A): CA 55.090 55.090 54.368 0.722 RESID 279 (A): CB 19.710 19.710 18.608 1.102 RESID 279 (A): H 6.665 6.665 7.897 -1.232 RESID 280 (H): N 111.600 111.600 115.314 -3.714 RESID 280 (H): C 175.500 175.500 175.205 0.295 RESID 280 (H): CA 55.360 55.360 56.258 -0.898 RESID 280 (H): CB 29.540 29.540 28.634 0.906 RESID 280 (H): H 8.337 8.337 8.185 0.152 RESID 281 (L): N 124.100 124.100 122.508 1.592 RESID 281 (L): C 176.300 176.300 175.868 0.432 RESID 281 (L): CA 53.330 53.330 52.984 0.346 RESID 281 (L): CB 40.490 40.490 41.940 -1.450 RESID 281 (L): H 7.289 7.289 7.443 -0.154 RESID 282 (P): C 178.200 178.200 178.379 -0.179 RESID 282 (P): CA 66.050 66.050 65.670 0.380 RESID 282 (P): CB 32.150 32.150 31.724 0.426 RESID 283 (A): N 116.000 116.000 119.279 -3.279 RESID 283 (A): C 179.000 179.000 179.840 -0.840 RESID 283 (A): CA 55.630 55.630 55.194 0.436 RESID 283 (A): CB 19.490 19.490 18.184 1.306 RESID 283 (A): H 7.969 7.969 8.421 -0.452 RESID 284 (V): N 115.200 115.200 118.487 -3.287 RESID 284 (V): C 180.000 180.000 178.927 1.073 RESID 284 (V): CA 65.640 65.640 65.891 -0.252 RESID 284 (V): CB 32.560 32.560 30.819 1.742 RESID 284 (V): H 6.557 6.557 7.678 -1.121 RESID 285 (Q): N 121.200 121.200 120.457 0.743 RESID 285 (Q): C 178.000 178.000 177.654 0.346 RESID 285 (Q): CA 59.500 59.500 58.800 0.700 RESID 285 (Q): CB 29.080 29.080 28.607 0.473 RESID 285 (Q): H 8.581 8.581 7.815 0.766 RESID 286 (N): N 112.600 112.600 113.993 -1.393 RESID 286 (N): C 174.500 174.500 173.855 0.645 RESID 286 (N): CA 53.160 53.160 52.715 0.445 RESID 286 (N): CB 38.390 38.390 38.723 -0.333 RESID 286 (N): H 8.117 8.117 8.046 0.071 RESID 287 (K): N 118.500 118.500 115.919 2.581 RESID 287 (K): C 176.100 176.100 176.229 -0.129 RESID 287 (K): CA 57.540 57.540 57.306 0.234 RESID 287 (K): CB 28.570 28.570 29.546 -0.976 RESID 287 (K): H 7.724 7.724 7.694 0.030 RESID 288 (Q): N 119.700 119.700 117.152 2.548 RESID 288 (Q): C 173.700 173.700 174.069 -0.369 RESID 288 (Q): CA 52.970 52.970 54.822 -1.852 RESID 288 (Q): CB 28.640 28.640 28.933 -0.293 RESID 288 (Q): H 8.895 8.895 8.427 0.468 RESID 289 (V): N 119.200 119.200 118.925 0.275 RESID 289 (V): C 175.100 175.100 175.108 -0.008 RESID 289 (V): CA 61.600 61.600 60.961 0.639 RESID 289 (V): CB 32.610 32.610 34.266 -1.656 RESID 289 (V): H 6.246 6.246 6.914 -0.668 RESID 290 (Y): N 125.700 125.700 125.463 0.237 RESID 290 (Y): C 174.100 174.100 174.361 -0.261 RESID 290 (Y): CA 56.830 56.830 56.631 0.199 RESID 290 (Y): CB 40.950 40.950 42.785 -1.835 RESID 290 (Y): H 8.682 8.682 9.041 -0.359 RESID 291 (A): N 126.900 126.900 122.052 4.848 RESID 291 (A): C 178.300 178.300 176.754 1.546 RESID 291 (A): CA 51.560 51.560 50.370 1.190 RESID 291 (A): CB 19.670 19.670 21.260 -1.590 RESID 291 (A): H 9.057 9.057 8.658 0.399 RESID 292 (L): N 120.800 120.800 119.790 1.010 RESID 292 (L): C 175.500 175.500 176.239 -0.739 RESID 292 (L): CA 54.880 54.880 54.244 0.636 RESID 292 (L): CB 42.490 42.490 42.274 0.216 RESID 292 (L): H 8.342 8.342 8.920 -0.578 RESID 293 (G): N 107.500 107.500 103.855 3.645 RESID 293 (G): C 177.600 177.600 174.127 3.473 RESID 293 (G): CA 45.110 45.110 44.427 0.683 RESID 293 (G): H 7.973 7.973 7.381 0.592 RESID 294 (T): N 117.800 117.800 116.770 1.030 RESID 294 (T): C 176.400 176.400 176.025 0.375 RESID 294 (T): CA 65.260 65.260 65.211 0.049 RESID 294 (T): CB 68.310 68.310 69.151 -0.841 RESID 294 (T): H 8.808 8.808 8.575 0.233 RESID 295 (E): N 122.100 122.100 119.922 2.178 RESID 295 (E): C 177.700 177.700 176.603 1.097 RESID 295 (E): CA 58.540 58.540 58.328 0.212 RESID 295 (E): CB 29.010 29.010 28.770 0.240 RESID 295 (E): H 10.380 10.380 8.846 1.534 RESID 296 (T): N 103.000 103.000 108.683 -5.683 RESID 296 (T): C 173.600 173.600 174.372 -0.772 RESID 296 (T): CA 62.320 62.320 61.302 1.018 RESID 296 (T): CB 69.170 69.170 67.830 1.340 RESID 296 (T): H 7.062 7.062 7.914 -0.852 RESID 297 (F): N 121.500 121.500 122.979 -1.479 RESID 297 (F): C 174.500 174.500 175.882 -1.382 RESID 297 (F): CA 61.700 61.700 60.999 0.701 RESID 297 (F): CB 39.640 39.640 39.749 -0.109 RESID 297 (F): H 8.108 8.108 7.625 0.483 RESID 298 (R): N 116.800 116.800 119.770 -2.970 RESID 298 (R): C 176.000 176.000 175.120 0.880 RESID 298 (R): CA 54.160 54.160 55.812 -1.652 RESID 298 (R): CB 32.460 32.460 31.113 1.347 RESID 298 (R): H 7.552 7.552 8.255 -0.703 RESID 299 (L): N 125.500 125.500 126.440 -0.940 RESID 299 (L): C 174.800 174.800 174.627 0.173 RESID 299 (L): CA 54.300 54.300 53.992 0.308 RESID 299 (L): CB 41.670 41.670 43.897 -2.227 RESID 299 (L): H 8.903 8.903 8.417 0.486 RESID 300 (D): N 124.600 124.600 123.599 1.001 RESID 300 (D): C 173.400 173.400 175.481 -2.081 RESID 300 (D): CA 51.880 51.880 53.001 -1.121 RESID 300 (D): CB 43.230 43.230 42.507 0.723 RESID 300 (D): H 7.735 7.735 8.754 -1.019 RESID 301 (Y): N 118.100 118.100 121.128 -3.028 RESID 301 (Y): C 175.300 175.300 176.173 -0.873 RESID 301 (Y): CA 61.650 61.650 63.292 -1.642 RESID 301 (Y): CB 38.740 38.740 38.665 0.075 RESID 301 (Y): H 7.943 7.943 8.951 -1.008 RESID 302 (Y): N 112.300 112.300 115.405 -3.105 RESID 302 (Y): C 180.800 180.800 177.673 3.127 RESID 302 (Y): CA 61.970 61.970 60.878 1.092 RESID 302 (Y): CB 37.990 37.990 38.104 -0.114 RESID 302 (Y): H 7.309 7.309 8.117 -0.808 RESID 303 (S): N 119.100 119.100 115.874 3.226 RESID 303 (S): C 176.300 176.300 176.583 -0.283 RESID 303 (S): CA 60.690 60.690 61.224 -0.534 RESID 303 (S): CB 63.180 63.180 62.106 1.074 RESID 303 (S): H 9.411 9.411 9.417 -0.006 RESID 304 (A): N 126.900 126.900 125.778 1.122 RESID 304 (A): C 180.400 180.400 179.400 1.000 RESID 304 (A): CA 56.000 56.000 54.929 1.071 RESID 304 (A): CB 18.040 18.040 17.850 0.190 RESID 304 (A): H 8.860 8.860 7.805 1.055 RESID 305 (M): N 116.600 116.600 117.997 -1.397 RESID 305 (M): C 179.300 179.300 178.876 0.424 RESID 305 (M): CA 57.880 57.880 59.766 -1.886 RESID 305 (M): CB 31.350 31.350 32.386 -1.036 RESID 305 (M): H 7.346 7.346 7.508 -0.162 RESID 306 (Q): N 119.300 119.300 118.816 0.484 RESID 306 (Q): C 179.000 179.000 178.840 0.160 RESID 306 (Q): CA 59.410 59.410 58.885 0.525 RESID 306 (Q): CB 28.450 28.450 28.815 -0.365 RESID 306 (Q): H 7.633 7.633 7.797 -0.164 RESID 308 (L): C 178.700 178.700 178.478 0.222 RESID 308 (L): CA 58.690 58.690 58.420 0.270 RESID 308 (L): CB 41.790 41.790 41.383 0.407 RESID 309 (D): N 119.100 119.100 119.101 -0.001 RESID 309 (D): C 179.600 179.600 178.886 0.714 RESID 309 (D): CA 57.830 57.830 57.568 0.262 RESID 309 (D): CB 40.820 40.820 40.324 0.496 RESID 309 (D): H 7.984 7.984 8.051 -0.067 RESID 310 (R): N 121.700 121.700 120.602 1.098 RESID 310 (R): C 178.900 178.900 178.729 0.171 RESID 310 (R): CA 58.590 58.590 59.194 -0.604 RESID 310 (R): CB 29.820 29.820 30.151 -0.332 RESID 310 (R): H 8.463 8.463 7.608 0.855 RESID 311 (L): N 119.200 119.200 119.939 -0.739 RESID 311 (L): C 178.800 178.800 178.728 0.072 RESID 311 (L): CA 58.380 58.380 58.112 0.268 RESID 311 (L): CB 42.340 42.340 41.841 0.499 RESID 311 (L): H 8.489 8.489 8.335 0.154 RESID 312 (K): N 116.500 116.500 118.750 -2.250 RESID 312 (K): C 178.000 178.000 178.416 -0.416 RESID 312 (K): CA 59.250 59.250 59.178 0.072 RESID 312 (K): CB 32.440 32.440 32.499 -0.060 RESID 312 (K): H 7.955 7.955 8.236 -0.281 RESID 313 (A): N 119.500 119.500 120.790 -1.290 RESID 313 (A): C 180.000 180.000 178.678 1.322 RESID 313 (A): CA 53.920 53.920 53.318 0.602 RESID 313 (A): CB 18.800 18.800 19.239 -0.439 RESID 313 (A): H 7.427 7.427 7.762 -0.335 RESID 314 (L): N 119.500 119.500 119.145 0.355 RESID 314 (L): C 177.400 177.400 176.451 0.949 RESID 314 (L): CA 56.770 56.770 57.233 -0.463 RESID 314 (L): CB 43.730 43.730 42.349 1.381 RESID 314 (L): H 7.431 7.431 8.125 -0.694 N HA C CA CB H RESID 26 (W): -3.539 ----- -0.870 0.343 3.244 0.215 RESID 27 (P): ----- ----- 0.007 -0.290 4.940 ----- RESID 28 (R): -3.816 ----- -1.390 0.722 0.756 0.062 RESID 29 (Q): -0.791 ----- 0.589 -1.249 1.428 -0.081 RESID 30 (I): -1.801 ----- 0.625 -0.910 -0.540 1.071 RESID 31 (T): 3.228 ----- 0.740 -1.280 1.041 0.594 RESID 32 (D): 5.742 ----- 1.410 0.809 -0.464 1.405 RESID 33 (S): -4.464 ----- -0.568 0.374 -0.376 -0.224 RESID 34 (R): -2.376 ----- -0.635 -3.652 0.186 0.395 RESID 35 (G): 5.146 ----- -2.252 -0.509 ----- -0.763 RESID 36 (T): 0.138 ----- 0.799 0.030 -0.119 0.590 RESID 37 (H): 0.460 ----- 0.740 -1.306 -2.015 0.362 RESID 38 (T): 4.100 ----- 1.362 2.111 -1.232 1.542 RESID 39 (L): 7.154 ----- 0.089 0.520 -0.860 0.435 RESID 40 (E): -1.613 ----- -0.317 0.297 0.483 0.135 RESID 41 (S): -1.872 ----- -1.497 -0.913 0.610 -0.158 RESID 42 (Q): 3.314 ----- -0.158 -2.035 0.553 -1.264 RESID 43 (P): ----- ----- -0.225 0.709 0.087 ----- RESID 44 (Q): 2.608 ----- -0.638 -1.505 2.852 2.574 RESID 45 (R): 8.227 ----- 0.507 0.085 -0.050 2.447 RESID 47 (V): ----- ----- 0.350 -0.262 -0.255 ----- RESID 48 (S): -1.951 ----- 1.911 -1.871 -1.106 -0.655 RESID 49 (T): 4.178 ----- -2.900 0.977 -0.370 -0.362 RESID 50 (S): -0.461 ----- -0.573 -2.051 -0.033 -0.107 RESID 51 (V): 4.913 ----- -2.815 -0.333 -0.114 0.173 RESID 52 (T): 0.538 ----- 3.215 0.845 0.263 -0.129 RESID 53 (L): 1.113 ----- 0.425 -0.691 0.833 -0.510 RESID 54 (T): 1.756 ----- -1.737 -0.669 ----- -0.096 RESID 55 (G): -3.690 ----- -0.193 0.307 ----- -1.281 RESID 56 (S): -0.785 ----- -1.149 1.903 1.966 -1.262 RESID 58 (L): ----- ----- 1.786 -0.285 -0.119 ----- RESID 59 (A): -0.786 ----- -0.302 0.735 -0.322 -0.296 RESID 60 (I): ----- ----- -1.543 0.159 0.440 ----- RESID 61 (D): -2.368 ----- 0.239 0.045 -0.024 -0.002 RESID 62 (A): -3.019 ----- 2.676 -0.861 -1.609 0.079 RESID 63 (P): ----- ----- -2.116 0.598 -4.700 ----- RESID 64 (V): 3.973 ----- -0.927 -1.436 -0.806 0.434 RESID 65 (I): -4.305 ----- 1.555 -3.004 1.270 0.250 RESID 66 (A): 4.289 ----- -0.088 0.636 1.459 -0.433 RESID 67 (S): -5.062 ----- 2.231 -2.078 -2.425 0.248 RESID 68 (G): 5.658 ----- -1.607 2.065 ----- -1.053 RESID 69 (A): -3.632 ----- 2.718 -1.157 2.075 -0.814 RESID 70 (T): 5.689 ----- -2.704 -3.148 1.036 1.091 RESID 71 (T): -5.214 ----- -0.419 0.050 1.542 -0.805 RESID 72 (P): ----- ----- 0.979 -0.201 0.736 ----- RESID 73 (N): -4.621 ----- -1.612 0.746 -1.462 -0.701 RESID 74 (N): ----- ----- -1.151 5.015 0.348 ----- RESID 75 (R): -6.327 ----- -0.156 1.087 1.055 -0.286 RESID 76 (V): -10.278 ----- 0.067 -2.908 2.046 -0.829 RESID 77 (A): 5.891 ----- -1.082 -1.030 5.118 0.724 RESID 78 (D): 1.780 ----- 2.205 -0.939 0.363 0.431 RESID 79 (D): 0.846 ----- 0.282 1.082 0.886 -0.165 RESID 80 (Q): -4.334 ----- -1.186 -1.522 2.417 -0.177 RESID 81 (G): -0.008 ----- 0.854 0.946 ----- -0.648 RESID 82 (F): 0.604 ----- -0.434 -4.255 -2.621 0.300 RESID 83 (L): ----- ----- 0.958 0.351 -3.483 ----- RESID 84 (R): 0.309 ----- 0.763 3.458 1.649 -0.689 RESID 85 (Q): -2.592 ----- -2.680 0.195 -3.169 1.868 RESID 86 (W): -6.497 ----- -1.777 -5.058 -2.079 -1.939 RESID 87 (S): 3.712 ----- 1.441 0.676 ----- -1.246 RESID 88 (K): -3.919 ----- 0.179 0.481 -0.088 0.982 RESID 89 (V): 6.344 ----- 0.802 0.089 0.502 -0.661 RESID 90 (A): -0.393 ----- 1.095 1.385 1.439 0.684 RESID 91 (K): -0.430 ----- 3.023 1.002 0.003 -0.237 RESID 92 (E): 5.089 ----- 1.496 2.268 -0.658 0.483 RESID 93 (R): -3.123 ----- 0.328 0.792 -1.530 -0.276 RESID 94 (K): 1.030 ----- 0.558 -0.661 -1.498 -0.689 RESID 95 (L): -1.850 ----- 0.357 0.931 1.158 0.055 RESID 96 (Q): 0.621 ----- -1.210 0.635 0.284 -0.882 RESID 97 (R): 6.474 ----- 0.577 -1.045 1.616 0.501 RESID 98 (L): 3.512 ----- -0.410 2.429 3.324 -0.453 RESID 99 (Y): -2.112 ----- -1.388 -0.803 -1.001 -1.360 RESID 100 (I): -6.231 ----- -0.347 -1.784 3.589 0.111 RESID 101 (G): 0.865 ----- -0.707 2.211 ----- -0.267 RESID 102 (E): 10.911 ----- -0.790 0.466 2.029 0.283 RESID 103 (P): ----- ----- -0.828 -1.386 -0.084 ----- RESID 104 (S): -5.229 ----- 0.159 -3.150 -0.076 -2.554 RESID 105 (A): 0.233 ----- 0.340 0.739 -0.899 0.331 RESID 106 (E): 0.350 ----- 0.434 1.237 -0.477 0.151 RESID 107 (A): -0.475 ----- 0.266 -0.340 0.762 -0.158 RESID 108 (V): -2.271 ----- -0.808 1.165 0.103 -0.478 RESID 109 (A): -1.667 ----- 1.854 0.535 -0.100 0.112 RESID 110 (A): -0.723 ----- 0.248 -0.246 -0.025 -0.307 RESID 111 (Q): -1.027 ----- -1.062 0.897 -0.221 -0.295 RESID 112 (M): -6.095 ----- 0.069 0.358 -1.439 -0.063 RESID 113 (P): ----- ----- 0.449 0.214 0.385 ----- RESID 114 (D): -2.130 ----- -0.031 -2.076 -1.940 0.610 RESID 115 (L): ----- ----- 0.604 -1.335 ----- ----- RESID 116 (I): -2.731 ----- ----- 0.166 ----- 1.311 RESID 118 (I): ----- ----- -1.026 0.454 1.159 ----- RESID 119 (S): 0.080 ----- 0.589 -0.590 0.695 1.020 RESID 120 (A): 1.388 ----- -0.536 -0.050 1.538 -0.548 RESID 121 (T): -4.114 ----- -0.108 -2.474 1.599 -0.237 RESID 122 (G): -6.584 ----- 3.065 -0.761 ----- 0.161 RESID 123 (G): ----- ----- -0.216 1.042 ----- ----- RESID 124 (D): -2.243 ----- 1.160 -0.608 0.055 0.894 RESID 125 (S): -3.998 ----- 1.721 0.073 0.127 -1.118 RESID 126 (A): 4.775 ----- -1.952 -2.345 -2.241 0.226 RESID 127 (L): -0.030 ----- 0.563 1.464 1.225 -0.802 RESID 128 (A): 3.486 ----- 0.785 0.853 -0.491 1.297 RESID 129 (L): 0.611 ----- -0.888 -1.283 -0.400 0.355 RESID 130 (Y): -0.823 ----- 0.363 1.473 1.035 -1.090 RESID 131 (D): 1.176 ----- -0.091 0.609 0.275 0.915 RESID 132 (Q): -0.932 ----- 0.303 0.202 0.592 -0.147 RESID 133 (L): -0.435 ----- -0.699 0.262 -0.810 -0.346 RESID 134 (S): -3.099 ----- -0.334 0.237 0.743 -0.320 RESID 135 (T): -4.905 ----- -1.315 -2.079 0.664 -0.600 RESID 136 (I): 3.915 ----- 0.247 -0.090 0.301 0.342 RESID 137 (A): 1.904 ----- -1.683 -0.101 -0.169 -0.428 RESID 138 (P): ----- ----- -1.499 1.095 0.077 ----- RESID 139 (T): 2.140 ----- -0.050 -1.556 1.862 -0.169 RESID 140 (L): ----- ----- 0.608 -0.776 0.575 ----- RESID 141 (I): -2.103 ----- 1.010 -0.896 0.996 1.463 RESID 142 (I): 1.930 ----- 0.217 -1.910 -2.502 0.085 RESID 143 (N): 4.919 ----- 0.481 -1.967 0.123 0.700 RESID 144 (Y): -6.021 ----- 1.723 -3.688 -0.150 0.001 RESID 145 (D): 0.771 ----- 1.788 -0.210 3.318 0.445 RESID 146 (D): 4.092 ----- -0.041 -0.410 -1.730 -1.035 RESID 147 (K): -5.767 ----- -0.287 -1.547 -1.704 -0.553 RESID 148 (S): -0.522 ----- -0.387 -0.089 0.725 0.230 RESID 149 (W): 1.778 ----- 2.067 1.338 -0.721 -0.119 RESID 150 (Q): 3.203 ----- 0.299 3.362 -1.210 1.609 RESID 151 (S): 1.122 ----- 0.596 0.503 0.590 0.057 RESID 152 (L): 2.452 ----- 0.549 0.390 0.278 0.080 RESID 153 (L): 0.547 ----- 1.037 1.434 -0.096 0.923 RESID 154 (T): 3.453 ----- 0.309 1.305 0.541 0.118 RESID 155 (Q): 3.504 ----- 1.194 1.366 0.273 0.320 RESID 156 (L): ----- ----- 1.625 0.618 -0.125 ----- RESID 157 (G): 5.768 ----- -0.562 1.782 ----- 1.217 RESID 158 (E): 4.869 ----- 0.662 1.275 0.315 0.010 RESID 160 (T): ----- ----- 2.301 -1.178 2.651 ----- RESID 161 (G): -0.244 ----- 0.451 1.242 ----- -0.875 RESID 162 (H): 4.972 ----- -2.148 -0.456 -2.997 0.674 RESID 163 (E): 1.739 ----- 2.333 1.433 -0.433 1.536 RESID 164 (K): 1.093 ----- -0.009 -0.361 0.188 0.376 RESID 165 (Q): 1.352 ----- 0.402 2.120 -0.157 -0.051 RESID 166 (A): -1.334 ----- -1.425 1.320 0.227 -0.150 RESID 167 (A): -3.036 ----- 1.892 -0.158 -0.305 -1.108 RESID 168 (E): 1.527 ----- 0.472 -0.009 0.453 0.319 RESID 170 (I): ----- ----- -0.002 1.575 1.359 ----- RESID 171 (A): -2.474 ----- 1.360 -0.339 0.141 -0.771 RESID 172 (Q): 2.584 ----- 0.623 0.714 -0.258 0.634 RESID 173 (F): -0.118 ----- -1.007 1.598 0.369 -0.303 RESID 174 (D): 0.916 ----- 1.425 0.549 -0.091 -0.257 RESID 175 (K): 1.073 ----- 1.166 -0.010 0.315 0.028 RESID 176 (Q): 2.077 ----- 0.778 -0.487 -0.533 0.338 RESID 177 (L): 6.006 ----- -0.283 2.652 -0.159 1.203 RESID 178 (A): -1.047 ----- 1.371 0.194 0.087 -0.543 RESID 179 (A): -0.794 ----- 0.713 0.335 -0.408 0.037 RESID 180 (A): -0.017 ----- 0.098 0.745 -0.259 0.152 RESID 181 (K): 0.109 ----- -0.071 0.590 0.702 0.030 RESID 182 (E): -2.126 ----- -0.154 0.749 1.068 -0.600 RESID 183 (Q): -0.699 ----- 1.017 0.218 0.437 -0.175 RESID 184 (I): 1.952 ----- 0.957 3.255 0.340 0.294 RESID 185 (K): 4.768 ----- -0.037 -0.574 -2.894 0.832 RESID 186 (L): -1.052 ----- -0.213 2.335 0.383 -0.423 RESID 188 (P): ----- ----- -1.449 1.481 0.990 ----- RESID 189 (Q): 0.704 ----- 1.695 -2.385 0.901 -0.169 RESID 190 (P): ----- ----- -0.078 0.490 2.800 ----- RESID 191 (V): -8.954 ----- 0.332 0.216 0.342 0.712 RESID 192 (T): 7.370 ----- 0.210 3.509 0.291 0.134 RESID 193 (A): 9.902 ----- -0.013 -0.535 -0.323 1.613 RESID 194 (I): -2.036 ----- 2.907 -0.464 1.814 0.713 RESID 195 (V): -4.233 ----- 2.139 1.807 0.153 -0.162 RESID 196 (Y): 2.721 ----- 0.550 -0.414 1.095 1.007 RESID 197 (T): 1.525 ----- 0.920 0.114 -3.019 0.438 RESID 198 (A): -0.273 ----- 1.160 1.161 0.074 -0.336 RESID 199 (A): -4.860 ----- -1.007 -0.514 0.419 0.291 RESID 200 (A): -3.840 ----- -0.651 -0.772 1.321 -1.468 RESID 201 (H): 0.305 ----- -0.502 0.365 -0.430 -0.235 RESID 202 (S): -3.950 ----- 0.047 -1.084 -0.135 -0.689 RESID 203 (A): -2.900 ----- -0.373 -0.541 2.315 0.317 RESID 204 (N): 0.094 ----- -0.152 -0.544 -2.101 0.102 RESID 205 (L): 5.519 ----- 0.135 0.857 1.571 1.649 RESID 206 (W): 1.642 ----- 0.643 -0.728 -1.143 0.643 RESID 207 (T): 1.864 ----- 2.829 0.853 -1.814 -0.105 RESID 208 (P): ----- ----- -0.850 0.723 -0.216 ----- RESID 209 (E): -2.738 ----- 0.299 0.071 -0.385 -0.345 RESID 210 (S): 0.738 ----- -1.620 -1.099 2.841 0.223 RESID 211 (A): -2.129 ----- 0.759 0.094 -0.231 -0.148 RESID 212 (Q): 0.568 ----- -0.918 2.435 -0.333 0.017 RESID 213 (G): -0.145 ----- -0.914 0.700 ----- -0.239 RESID 214 (Q): -0.805 ----- 0.609 0.281 0.421 0.409 RESID 215 (M): -1.409 ----- -0.376 0.120 -0.794 -0.328 RESID 216 (L): -3.032 ----- 0.875 0.503 -1.446 -0.468 RESID 217 (E): 1.318 ----- 2.961 1.280 -0.272 0.188 RESID 218 (Q): 5.189 ----- -0.747 0.969 -0.264 0.543 RESID 219 (L): 0.757 ----- -2.247 -1.343 1.440 -0.330 RESID 220 (G): 1.914 ----- 1.771 0.062 ----- -0.386 RESID 221 (F): 0.367 ----- 1.088 1.920 -3.611 0.210 RESID 222 (T): 1.354 ----- 0.405 0.504 1.864 0.213 RESID 223 (L): 1.239 ----- 1.637 1.367 -1.165 1.062 RESID 224 (A): -1.282 ----- 1.538 1.466 -2.174 0.970 RESID 225 (K): 2.200 ----- 0.606 0.025 0.183 0.237 RESID 226 (L): -1.813 ----- -0.105 -0.540 0.475 0.114 RESID 227 (P): ----- ----- -0.272 -0.021 0.167 ----- RESID 228 (A): 0.078 ----- 0.998 0.697 0.006 -0.102 RESID 229 (G): 0.191 ----- -0.971 0.604 ----- 0.461 RESID 230 (L): -1.168 ----- -1.475 0.125 0.966 -0.412 RESID 231 (N): -0.483 ----- -0.614 -2.459 0.962 0.201 RESID 232 (A): 4.951 ----- 0.052 1.387 1.347 0.149 RESID 233 (S): 0.001 ----- -0.468 -1.684 0.946 -0.247 RESID 234 (Q): 1.515 ----- 0.741 0.204 -1.347 0.464 RESID 235 (S): -1.034 ----- 0.225 -0.014 1.636 -0.215 RESID 236 (Q): -4.796 ----- 1.261 1.112 1.647 -0.471 RESID 237 (G): 1.370 ----- 1.135 0.250 ----- 0.801 RESID 238 (K): -0.947 ----- 1.119 0.452 0.548 -0.390 RESID 239 (R): -4.108 ----- ----- 0.182 0.646 -0.345 RESID 240 (H): ----- ----- -1.708 -2.934 -0.313 ----- RESID 241 (D): 0.561 ----- -1.570 -0.481 -0.665 0.663 RESID 242 (I): 0.281 ----- 1.162 0.033 2.700 -0.314 RESID 243 (I): -1.181 ----- 1.035 -0.289 2.891 0.248 RESID 244 (Q): 0.866 ----- 1.046 1.539 0.014 0.166 RESID 245 (L): 2.034 ----- -0.427 0.687 0.245 0.293 RESID 246 (G): 4.629 ----- -0.127 -0.454 ----- -0.023 RESID 247 (G): -0.154 ----- 1.824 3.156 ----- 0.921 RESID 248 (E): 2.509 ----- 0.809 1.040 0.211 0.444 RESID 249 (N): 0.010 ----- -0.522 -0.035 0.514 0.091 RESID 250 (L): 1.171 ----- -1.005 1.750 0.756 -0.704 RESID 251 (A): -4.965 ----- 1.335 0.679 -0.426 -0.174 RESID 252 (A): -1.160 ----- 0.772 1.599 0.019 -1.032 RESID 253 (G): -7.309 ----- -2.093 0.352 ----- 0.052 RESID 254 (L): 1.963 ----- -2.294 -1.854 -3.021 -0.593 RESID 255 (N): -7.688 ----- 0.342 -0.559 -1.220 -1.141 RESID 256 (G): 2.460 ----- -2.370 0.447 ----- -0.698 RESID 257 (E): 1.685 ----- 1.319 1.356 -0.784 -0.218 RESID 258 (S): -5.968 ----- -0.002 -0.788 2.493 -0.784 RESID 259 (L): -2.736 ----- -2.578 -0.836 3.743 0.954 RESID 260 (F): 0.682 ----- -1.825 1.550 1.088 1.139 RESID 261 (L): 3.651 ----- 0.515 0.815 -4.014 0.854 RESID 262 (F): 1.365 ----- -0.164 1.983 1.453 0.265 RESID 263 (A): -2.200 ----- -1.724 0.964 2.900 0.644 RESID 264 (G): -7.016 ----- -1.632 0.489 ----- -1.116 RESID 265 (D): -0.396 ----- 0.034 -1.127 0.582 0.926 RESID 266 (Q): -1.223 ----- 0.144 -0.451 -0.159 -0.328 RESID 267 (K): -1.098 ----- 2.312 -0.169 -0.345 -0.044 RESID 268 (D): 1.952 ----- -0.941 0.999 1.298 -0.491 RESID 269 (A): 0.196 ----- 0.584 0.719 -0.701 -0.255 RESID 270 (D): 0.104 ----- 2.785 1.269 -0.372 0.765 RESID 271 (A): 2.983 ----- 1.478 1.467 -0.997 0.560 RESID 272 (I): -120.463 ----- 1.339 -0.764 -2.421 -1.064 RESID 273 (Y): -0.675 ----- 0.230 2.811 1.941 0.206 RESID 274 (A): -3.267 ----- 0.012 -0.983 0.168 -0.322 RESID 275 (N): 1.661 ----- 1.689 -0.363 1.603 -0.762 RESID 276 (P): ----- ----- 0.393 -0.297 0.400 ----- RESID 277 (L): -0.703 ----- -0.874 -0.915 0.221 -0.154 RESID 278 (L): -1.460 ----- -1.261 -1.725 -0.355 -0.193 RESID 279 (A): -4.495 ----- -0.106 0.722 1.102 -1.232 RESID 280 (H): -3.714 ----- 0.295 -0.898 0.906 0.152 RESID 281 (L): 1.592 ----- 0.432 0.346 -1.450 -0.154 RESID 282 (P): ----- ----- -0.179 0.380 0.426 ----- RESID 283 (A): -3.279 ----- -0.840 0.436 1.306 -0.452 RESID 284 (V): -3.287 ----- 1.073 -0.252 1.742 -1.121 RESID 285 (Q): 0.743 ----- 0.346 0.700 0.473 0.766 RESID 286 (N): -1.393 ----- 0.645 0.445 -0.333 0.071 RESID 287 (K): 2.581 ----- -0.129 0.234 -0.976 0.030 RESID 288 (Q): 2.548 ----- -0.369 -1.852 -0.293 0.468 RESID 289 (V): 0.275 ----- -0.008 0.639 -1.656 -0.668 RESID 290 (Y): 0.237 ----- -0.261 0.199 -1.835 -0.359 RESID 291 (A): 4.848 ----- 1.546 1.190 -1.590 0.399 RESID 292 (L): 1.010 ----- -0.739 0.636 0.216 -0.578 RESID 293 (G): 3.645 ----- 3.473 0.683 ----- 0.592 RESID 294 (T): 1.030 ----- 0.375 0.049 -0.841 0.233 RESID 295 (E): 2.178 ----- 1.097 0.212 0.240 1.534 RESID 296 (T): -5.683 ----- -0.772 1.018 1.340 -0.852 RESID 297 (F): -1.479 ----- -1.382 0.701 -0.109 0.483 RESID 298 (R): -2.970 ----- 0.880 -1.652 1.347 -0.703 RESID 299 (L): -0.940 ----- 0.173 0.308 -2.227 0.486 RESID 300 (D): 1.001 ----- -2.081 -1.121 0.723 -1.019 RESID 301 (Y): -3.028 ----- -0.873 -1.642 0.075 -1.008 RESID 302 (Y): -3.105 ----- 3.127 1.092 -0.114 -0.808 RESID 303 (S): 3.226 ----- -0.283 -0.534 1.074 -0.006 RESID 304 (A): 1.122 ----- 1.000 1.071 0.190 1.055 RESID 305 (M): -1.397 ----- 0.424 -1.886 -1.036 -0.162 RESID 306 (Q): 0.484 ----- 0.160 0.525 -0.365 -0.164 RESID 308 (L): ----- ----- 0.222 0.270 0.407 ----- RESID 309 (D): -0.001 ----- 0.714 0.262 0.496 -0.067 RESID 310 (R): 1.098 ----- 0.171 -0.604 -0.332 0.855 RESID 311 (L): -0.739 ----- 0.072 0.268 0.499 0.154 RESID 312 (K): -2.250 ----- -0.416 0.072 -0.060 -0.281 RESID 313 (A): -1.290 ----- 1.322 0.602 -0.439 -0.335 RESID 314 (L): 0.355 ----- 0.949 -0.463 1.381 -0.694 DATA CS_STAT_INFO N RMS: 8.227 ppm Count: 256 Average Difference: 0.484 +/- 8.228 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.223 ppm Count: 281 Average Difference: -0.160 +/- 1.214 ppm DATA CS_STAT_INFO CA RMS: 1.341 ppm Count: 283 Average Difference: -0.105 +/- 1.339 ppm DATA CS_STAT_INFO CB RMS: 1.423 ppm Count: 260 Average Difference: -0.162 +/- 1.416 ppm DATA CS_STAT_INFO HN RMS: 0.715 ppm Count: 256 Average Difference: -0.021 +/- 0.716 ppm ############################################################################ For conformer 2: Atom Original Corrected SPARTA Difference RESID 25 (D): N 120.600 120.600 120.817 -0.217 RESID 25 (D): C 174.400 174.400 175.914 -1.514 RESID 25 (D): CA 55.230 55.230 53.095 2.135 RESID 25 (D): CB 41.340 41.340 41.938 -0.598 RESID 25 (D): H 8.275 8.275 8.222 0.053 RESID 26 (W): N 120.100 120.100 123.578 -3.478 RESID 26 (W): C 174.200 174.200 175.068 -0.868 RESID 26 (W): CA 55.330 55.330 54.940 0.390 RESID 26 (W): CB 31.090 31.090 27.814 3.276 RESID 26 (W): H 7.788 7.788 7.671 0.117 RESID 27 (P): C 175.900 175.900 175.899 0.001 RESID 27 (P): CA 62.800 62.800 63.099 -0.299 RESID 27 (P): CB 37.260 37.260 32.323 4.937 RESID 28 (R): N 118.000 118.000 121.852 -3.852 RESID 28 (R): C 173.700 173.700 175.094 -1.394 RESID 28 (R): CA 55.160 55.160 54.444 0.716 RESID 28 (R): CB 33.430 33.430 32.674 0.756 RESID 28 (R): H 8.686 8.686 8.622 0.064 RESID 29 (Q): N 120.800 120.800 121.601 -0.801 RESID 29 (Q): C 175.500 175.500 174.913 0.587 RESID 29 (Q): CA 54.780 54.780 56.036 -1.256 RESID 29 (Q): CB 30.700 30.700 29.270 1.430 RESID 29 (Q): H 8.506 8.506 8.588 -0.082 RESID 30 (I): N 124.300 124.300 126.095 -1.795 RESID 30 (I): C 175.700 175.700 175.069 0.631 RESID 30 (I): CA 58.520 58.520 59.439 -0.919 RESID 30 (I): CB 40.680 40.680 41.210 -0.530 RESID 30 (I): H 9.002 9.002 7.937 1.065 RESID 31 (T): N 125.200 125.200 121.980 3.220 RESID 31 (T): C 174.400 174.400 173.655 0.745 RESID 31 (T): CA 62.150 62.150 63.452 -1.302 RESID 31 (T): CB 70.640 70.640 69.593 1.047 RESID 31 (T): H 8.989 8.989 8.397 0.592 RESID 32 (D): N 129.500 129.500 123.802 5.698 RESID 32 (D): C 177.400 177.400 176.005 1.395 RESID 32 (D): CA 52.630 52.630 51.805 0.825 RESID 32 (D): CB 42.950 42.950 43.414 -0.464 RESID 32 (D): H 9.389 9.389 7.992 1.397 RESID 33 (S): N 111.900 111.900 116.370 -4.470 RESID 33 (S): C 175.600 175.600 176.158 -0.558 RESID 33 (S): CA 60.920 60.920 60.564 0.356 RESID 33 (S): CB 63.430 63.430 63.805 -0.375 RESID 33 (S): H 8.075 8.075 8.305 -0.230 RESID 34 (R): N 120.600 120.600 122.975 -2.375 RESID 34 (R): C 176.100 176.100 176.739 -0.639 RESID 34 (R): CA 55.020 55.020 58.673 -3.653 RESID 34 (R): CB 30.850 30.850 30.660 0.191 RESID 34 (R): H 8.433 8.433 8.053 0.380 RESID 35 (G): N 108.900 108.900 103.767 5.133 RESID 35 (G): C 171.200 171.200 173.455 -2.255 RESID 35 (G): CA 45.060 45.060 45.574 -0.514 RESID 35 (G): H 7.837 7.837 8.603 -0.766 RESID 36 (T): N 116.300 116.300 115.866 0.434 RESID 36 (T): C 173.800 173.800 172.857 0.943 RESID 36 (T): CA 62.670 62.670 62.580 0.090 RESID 36 (T): CB 70.000 70.000 70.189 -0.189 RESID 36 (T): H 8.192 8.192 7.657 0.535 RESID 37 (H): N 125.800 125.800 125.334 0.466 RESID 37 (H): C 174.000 174.000 173.264 0.736 RESID 37 (H): CA 54.060 54.060 55.366 -1.306 RESID 37 (H): CB 31.020 31.020 33.040 -2.020 RESID 37 (H): H 8.986 8.986 8.624 0.362 RESID 38 (T): N 121.500 121.500 117.427 4.073 RESID 38 (T): C 174.200 174.200 172.852 1.348 RESID 38 (T): CA 63.190 63.190 61.093 2.097 RESID 38 (T): CB 70.080 70.080 71.309 -1.229 RESID 38 (T): H 9.101 9.101 7.571 1.530 RESID 39 (L): N 129.600 129.600 122.470 7.130 RESID 39 (L): C 176.900 176.900 176.816 0.084 RESID 39 (L): CA 53.990 53.990 53.477 0.513 RESID 39 (L): CB 43.160 43.160 44.026 -0.866 RESID 39 (L): H 9.145 9.145 8.702 0.443 RESID 40 (E): N 124.300 124.300 125.952 -1.652 RESID 40 (E): C 175.600 175.600 175.921 -0.321 RESID 40 (E): CA 59.420 59.420 59.113 0.307 RESID 40 (E): CB 30.710 30.710 30.228 0.482 RESID 40 (E): H 9.164 9.164 9.031 0.133 RESID 41 (S): N 108.300 108.300 110.179 -1.879 RESID 41 (S): C 171.700 171.700 173.196 -1.496 RESID 41 (S): CA 56.270 56.270 57.168 -0.898 RESID 41 (S): CB 65.420 65.420 64.813 0.607 RESID 41 (S): H 7.326 7.326 7.485 -0.159 RESID 42 (Q): N 123.900 123.900 120.599 3.301 RESID 42 (Q): C 174.600 174.600 174.757 -0.157 RESID 42 (Q): CA 53.730 53.730 55.752 -2.022 RESID 42 (Q): CB 28.470 28.470 27.921 0.549 RESID 42 (Q): H 7.339 7.339 8.606 -1.267 RESID 43 (P): C 176.300 176.300 176.667 -0.367 RESID 43 (P): CA 64.080 64.080 63.300 0.780 RESID 43 (P): CB 32.510 32.510 32.431 0.079 RESID 44 (Q): N 125.100 125.100 122.453 2.647 RESID 44 (Q): C 175.400 175.400 176.026 -0.626 RESID 44 (Q): CA 55.780 55.780 57.306 -1.526 RESID 44 (Q): CB 32.660 32.660 29.753 2.907 RESID 44 (Q): H 11.160 11.160 8.541 2.619 RESID 45 (R): N 125.700 125.700 117.459 8.241 RESID 45 (R): C 174.600 174.600 174.111 0.489 RESID 45 (R): CA 55.310 55.310 55.230 0.080 RESID 45 (R): CB 33.070 33.070 33.039 0.031 RESID 45 (R): H 10.010 10.010 7.568 2.442 RESID 47 (V): C 174.700 174.700 174.450 0.250 RESID 47 (V): CA 60.970 60.970 61.223 -0.253 RESID 47 (V): CB 34.140 34.140 34.433 -0.293 RESID 48 (S): N 118.300 118.300 120.185 -1.885 RESID 48 (S): C 175.500 175.500 173.803 1.697 RESID 48 (S): CA 55.700 55.700 57.759 -2.059 RESID 48 (S): CB 64.750 64.750 66.385 -1.635 RESID 48 (S): H 7.852 7.852 8.603 -0.751 RESID 49 (T): N 116.800 116.800 112.532 4.268 RESID 49 (T): C 171.500 171.500 174.628 -3.128 RESID 49 (T): CA 62.400 62.400 61.553 0.847 RESID 49 (T): CB 69.320 69.320 69.706 -0.386 RESID 49 (T): H 8.283 8.283 8.614 -0.331 RESID 50 (S): N 116.200 116.200 116.737 -0.537 RESID 50 (S): C 174.600 174.600 175.279 -0.679 RESID 50 (S): CA 54.640 54.640 56.749 -2.109 RESID 50 (S): CB 64.000 64.000 64.266 -0.266 RESID 50 (S): H 7.627 7.627 7.711 -0.084 RESID 51 (V): N 134.300 134.300 128.656 5.644 RESID 51 (V): C 175.100 175.100 177.901 -2.801 RESID 51 (V): CA 65.620 65.620 65.828 -0.208 RESID 51 (V): CB 31.790 31.790 31.974 -0.184 RESID 51 (V): H 9.218 9.218 9.081 0.137 RESID 52 (T): N 117.000 117.000 116.623 0.377 RESID 52 (T): C 179.700 179.700 176.381 3.319 RESID 52 (T): CA 67.390 67.390 67.087 0.303 RESID 52 (T): CB 69.130 69.130 68.691 0.439 RESID 52 (T): H 7.841 7.841 7.991 -0.150 RESID 53 (L): N 123.400 123.400 121.947 1.453 RESID 53 (L): C 178.700 178.700 178.179 0.521 RESID 53 (L): CA 57.460 57.460 58.206 -0.746 RESID 53 (L): CB 42.610 42.610 41.748 0.862 RESID 53 (L): H 8.092 8.092 8.584 -0.492 RESID 54 (T): N 117.500 117.500 115.729 1.771 RESID 54 (T): C 174.900 174.900 176.634 -1.734 RESID 54 (T): CA 67.070 67.070 67.722 -0.652 RESID 54 (T): H 8.039 8.039 8.125 -0.086 RESID 55 (G): N 105.500 105.500 109.190 -3.690 RESID 55 (G): C 175.600 175.600 175.789 -0.189 RESID 55 (G): CA 47.260 47.260 46.954 0.306 RESID 55 (G): H 6.591 6.591 7.878 -1.287 RESID 56 (S): N 117.000 117.000 117.781 -0.781 RESID 56 (S): C 175.600 175.600 176.749 -1.149 RESID 56 (S): CA 63.400 63.400 61.465 1.935 RESID 56 (S): CB 65.060 65.060 63.090 1.970 RESID 56 (S): H 6.709 6.709 7.971 -1.262 RESID 58 (L): C 181.200 181.200 179.411 1.789 RESID 58 (L): CA 57.480 57.480 57.753 -0.273 RESID 58 (L): CB 40.810 40.810 40.923 -0.113 RESID 59 (A): N 122.100 122.100 122.907 -0.807 RESID 59 (A): C 178.500 178.500 178.813 -0.313 RESID 59 (A): CA 55.540 55.540 54.804 0.736 RESID 59 (A): CB 18.440 18.440 18.765 -0.325 RESID 59 (A): H 7.797 7.797 8.085 -0.288 RESID 60 (I): C 172.700 172.700 174.244 -1.544 RESID 60 (I): CA 60.390 60.390 60.241 0.149 RESID 60 (I): CB 37.930 37.930 37.468 0.462 RESID 61 (D): N 116.200 116.200 118.588 -2.388 RESID 61 (D): C 174.800 174.800 174.560 0.240 RESID 61 (D): CA 55.850 55.850 55.804 0.046 RESID 61 (D): CB 38.930 38.930 38.962 -0.032 RESID 61 (D): H 7.736 7.736 7.735 0.001 RESID 62 (A): N 118.900 118.900 122.011 -3.111 RESID 62 (A): C 176.800 176.800 174.110 2.690 RESID 62 (A): CA 50.040 50.040 50.886 -0.846 RESID 62 (A): CB 17.940 17.940 19.574 -1.634 RESID 62 (A): H 7.820 7.820 7.728 0.092 RESID 63 (P): C 173.600 173.600 175.709 -2.109 RESID 63 (P): CA 63.250 63.250 62.639 0.611 RESID 63 (P): CB 27.640 27.640 32.346 -4.706 RESID 64 (V): N 123.100 123.100 119.245 3.855 RESID 64 (V): C 174.800 174.800 175.718 -0.918 RESID 64 (V): CA 58.420 58.420 59.868 -1.448 RESID 64 (V): CB 33.300 33.300 34.090 -0.791 RESID 64 (V): H 8.299 8.299 7.865 0.434 RESID 65 (I): N 122.000 122.000 126.345 -4.345 RESID 65 (I): C 177.100 177.100 175.555 1.545 RESID 65 (I): CA 61.010 61.010 64.016 -3.006 RESID 65 (I): CB 39.480 39.480 38.209 1.271 RESID 65 (I): H 8.589 8.589 8.353 0.236 RESID 66 (A): N 120.700 120.700 116.437 4.263 RESID 66 (A): C 175.100 175.100 175.195 -0.095 RESID 66 (A): CA 51.300 51.300 50.654 0.646 RESID 66 (A): CB 22.980 22.980 21.517 1.463 RESID 66 (A): H 7.246 7.246 7.666 -0.420 RESID 67 (S): N 111.700 111.700 116.806 -5.106 RESID 67 (S): C 176.500 176.500 174.248 2.252 RESID 67 (S): CA 55.230 55.230 57.315 -2.085 RESID 67 (S): CB 65.300 65.300 67.717 -2.417 RESID 67 (S): H 8.561 8.561 8.324 0.237 RESID 68 (G): N 112.900 112.900 107.284 5.616 RESID 68 (G): C 171.000 171.000 172.608 -1.608 RESID 68 (G): CA 46.580 46.580 44.520 2.060 RESID 68 (G): H 7.604 7.604 8.653 -1.049 RESID 69 (A): N 122.300 122.300 125.945 -3.645 RESID 69 (A): C 177.900 177.900 175.181 2.719 RESID 69 (A): CA 51.280 51.280 52.435 -1.155 RESID 69 (A): CB 23.440 23.440 21.374 2.066 RESID 69 (A): H 7.402 7.402 8.230 -0.828 RESID 70 (T): N 119.600 119.600 113.888 5.712 RESID 70 (T): C 171.400 171.400 174.100 -2.700 RESID 70 (T): CA 58.150 58.150 61.297 -3.147 RESID 70 (T): CB 70.880 70.880 69.866 1.014 RESID 70 (T): H 9.171 9.171 8.081 1.090 RESID 71 (T): N 116.500 116.500 121.665 -5.165 RESID 71 (T): C 172.500 172.500 172.915 -0.415 RESID 71 (T): CA 61.680 61.680 61.634 0.046 RESID 71 (T): CB 70.490 70.490 68.943 1.547 RESID 71 (T): H 7.663 7.663 8.465 -0.802 RESID 72 (P): C 177.100 177.100 176.119 0.981 RESID 72 (P): CA 63.390 63.390 63.595 -0.205 RESID 72 (P): CB 32.940 32.940 32.206 0.734 RESID 73 (N): N 115.200 115.200 119.756 -4.556 RESID 73 (N): C 174.600 174.600 176.228 -1.628 RESID 73 (N): CA 54.570 54.570 53.833 0.737 RESID 73 (N): CB 37.020 37.020 38.486 -1.466 RESID 73 (N): H 7.990 7.990 8.685 -0.695 RESID 74 (N): C 175.800 175.800 177.027 -1.227 RESID 74 (N): CA 60.660 60.660 55.684 4.976 RESID 74 (N): CB 38.070 38.070 37.727 0.343 RESID 75 (R): N 114.600 114.600 121.013 -6.413 RESID 75 (R): C 177.400 177.400 177.555 -0.155 RESID 75 (R): CA 59.940 59.940 58.878 1.062 RESID 75 (R): CB 31.110 31.110 30.030 1.080 RESID 75 (R): H 8.049 8.049 8.332 -0.283 RESID 76 (V): N 107.100 107.100 117.236 -10.136 RESID 76 (V): C 176.000 176.000 175.955 0.045 RESID 76 (V): CA 61.110 61.110 64.048 -2.938 RESID 76 (V): CB 33.590 33.590 31.549 2.041 RESID 76 (V): H 7.356 7.356 8.176 -0.820 RESID 77 (A): N 126.900 126.900 121.108 5.792 RESID 77 (A): C 176.500 176.500 177.542 -1.042 RESID 77 (A): CA 51.390 51.390 52.407 -1.017 RESID 77 (A): CB 24.260 24.260 19.125 5.135 RESID 77 (A): H 7.873 7.873 7.162 0.711 RESID 78 (D): N 118.700 118.700 116.918 1.782 RESID 78 (D): C 178.100 178.100 175.892 2.208 RESID 78 (D): CA 51.970 51.970 52.907 -0.938 RESID 78 (D): CB 41.360 41.360 40.998 0.362 RESID 78 (D): H 8.607 8.607 8.176 0.431 RESID 79 (D): N 116.600 116.600 115.756 0.844 RESID 79 (D): C 176.400 176.400 176.120 0.280 RESID 79 (D): CA 56.030 56.030 54.953 1.077 RESID 79 (D): CB 40.100 40.100 39.221 0.879 RESID 79 (D): H 8.258 8.258 8.424 -0.166 RESID 80 (Q): N 117.200 117.200 121.548 -4.348 RESID 80 (Q): C 175.700 175.700 176.888 -1.188 RESID 80 (Q): CA 54.970 54.970 56.496 -1.526 RESID 80 (Q): CB 30.840 30.840 28.436 2.404 RESID 80 (Q): H 8.160 8.160 8.333 -0.173 RESID 81 (G): N 105.300 105.300 105.312 -0.012 RESID 81 (G): C 174.200 174.200 173.353 0.847 RESID 81 (G): CA 45.740 45.740 44.797 0.944 RESID 81 (G): H 7.419 7.419 8.067 -0.648 RESID 82 (F): N 121.700 121.700 121.099 0.601 RESID 82 (F): C 175.300 175.300 175.739 -0.439 RESID 82 (F): CA 52.530 52.530 56.793 -4.263 RESID 82 (F): CB 37.430 37.430 40.046 -2.616 RESID 82 (F): H 8.154 8.154 7.859 0.295 RESID 83 (L): C 178.400 178.400 177.440 0.960 RESID 83 (L): CA 55.550 55.550 55.194 0.356 RESID 83 (L): CB 38.480 38.480 41.966 -3.486 RESID 84 (R): N 119.000 119.000 118.683 0.317 RESID 84 (R): C 178.300 178.300 177.536 0.764 RESID 84 (R): CA 60.690 60.690 57.222 3.468 RESID 84 (R): CB 31.530 31.530 29.883 1.647 RESID 84 (R): H 7.746 7.746 8.432 -0.686 RESID 85 (Q): N 116.400 116.400 118.985 -2.585 RESID 85 (Q): C 174.700 174.700 177.378 -2.678 RESID 85 (Q): CA 58.200 58.200 58.001 0.199 RESID 85 (Q): CB 26.140 26.140 29.307 -3.167 RESID 85 (Q): H 9.838 9.838 7.973 1.865 RESID 86 (W): N 115.600 115.600 122.094 -6.494 RESID 86 (W): C 175.900 175.900 177.679 -1.779 RESID 86 (W): CA 55.320 55.320 60.388 -5.068 RESID 86 (W): CB 27.470 27.470 29.544 -2.074 RESID 86 (W): H 6.600 6.600 8.541 -1.941 RESID 87 (S): N 118.500 118.500 114.781 3.719 RESID 87 (S): C 177.300 177.300 175.858 1.442 RESID 87 (S): CA 62.340 62.340 61.711 0.629 RESID 87 (S): H 7.067 7.067 8.330 -1.263 RESID 88 (K): N 118.300 118.300 122.230 -3.930 RESID 88 (K): C 179.000 179.000 178.817 0.183 RESID 88 (K): CA 59.970 59.970 59.495 0.475 RESID 88 (K): CB 32.380 32.380 32.471 -0.091 RESID 88 (K): H 8.615 8.615 7.630 0.985 RESID 89 (V): N 120.600 120.600 114.267 6.333 RESID 89 (V): C 178.100 178.100 177.293 0.807 RESID 89 (V): CA 65.530 65.530 65.449 0.081 RESID 89 (V): CB 32.180 32.180 31.679 0.501 RESID 89 (V): H 7.089 7.089 7.760 -0.671 RESID 90 (A): N 120.700 120.700 121.087 -0.387 RESID 90 (A): C 180.000 180.000 178.908 1.092 RESID 90 (A): CA 55.490 55.490 54.106 1.384 RESID 90 (A): CB 19.130 19.130 17.694 1.436 RESID 90 (A): H 7.979 7.979 7.296 0.683 RESID 91 (K): N 117.600 117.600 118.032 -0.432 RESID 91 (K): C 180.900 180.900 177.878 3.022 RESID 91 (K): CA 59.830 59.830 58.830 1.000 RESID 91 (K): CB 32.700 32.700 32.696 0.004 RESID 91 (K): H 7.844 7.844 8.083 -0.239 RESID 92 (E): N 122.300 122.300 117.219 5.081 RESID 92 (E): C 178.600 178.600 177.097 1.503 RESID 92 (E): CA 59.590 59.590 57.311 2.279 RESID 92 (E): CB 29.740 29.740 30.404 -0.664 RESID 92 (E): H 8.178 8.178 7.696 0.482 RESID 93 (R): N 115.300 115.300 118.428 -3.128 RESID 93 (R): C 175.000 175.000 174.674 0.326 RESID 93 (R): CA 56.320 56.320 55.531 0.789 RESID 93 (R): CB 29.390 29.390 30.916 -1.526 RESID 93 (R): H 7.776 7.776 8.050 -0.274 RESID 94 (K): N 116.800 116.800 115.791 1.009 RESID 94 (K): C 176.400 176.400 175.836 0.564 RESID 94 (K): CA 56.950 56.950 57.609 -0.659 RESID 94 (K): CB 28.870 28.870 30.368 -1.498 RESID 94 (K): H 7.697 7.697 8.381 -0.684 RESID 95 (L): N 120.600 120.600 122.420 -1.820 RESID 95 (L): C 177.200 177.200 176.830 0.370 RESID 95 (L): CA 56.710 56.710 55.803 0.906 RESID 95 (L): CB 43.480 43.480 42.304 1.176 RESID 95 (L): H 7.708 7.708 7.650 0.058 RESID 96 (Q): N 124.900 124.900 124.234 0.666 RESID 96 (Q): C 175.000 175.000 176.199 -1.199 RESID 96 (Q): CA 55.570 55.570 54.902 0.668 RESID 96 (Q): CB 30.080 30.080 29.798 0.282 RESID 96 (Q): H 7.526 7.526 8.401 -0.875 RESID 97 (R): N 126.000 126.000 119.523 6.477 RESID 97 (R): C 176.800 176.800 176.220 0.580 RESID 97 (R): CA 55.610 55.610 56.658 -1.048 RESID 97 (R): CB 31.840 31.840 30.227 1.613 RESID 97 (R): H 9.039 9.039 8.539 0.500 RESID 98 (L): N 126.500 126.500 122.976 3.524 RESID 98 (L): C 175.400 175.400 175.803 -0.403 RESID 98 (L): CA 56.610 56.610 54.172 2.438 RESID 98 (L): CB 47.140 47.140 43.824 3.316 RESID 98 (L): H 8.247 8.247 8.712 -0.465 RESID 99 (Y): N 110.000 110.000 112.037 -2.037 RESID 99 (Y): C 173.200 173.200 174.585 -1.385 RESID 99 (Y): CA 55.320 55.320 56.150 -0.830 RESID 99 (Y): CB 38.350 38.350 39.338 -0.988 RESID 99 (Y): H 6.465 6.465 7.825 -1.360 RESID 100 (I): N 120.000 120.000 126.215 -6.215 RESID 100 (I): C 176.800 176.800 177.152 -0.352 RESID 100 (I): CA 61.290 61.290 63.082 -1.792 RESID 100 (I): CB 39.980 39.980 36.393 3.587 RESID 100 (I): H 8.725 8.725 8.624 0.101 RESID 101 (G): N 114.800 114.800 113.936 0.864 RESID 101 (G): C 173.400 173.400 174.111 -0.711 RESID 101 (G): CA 47.030 47.030 44.821 2.209 RESID 101 (G): H 8.224 8.224 8.493 -0.269 RESID 102 (E): N 129.600 129.600 118.690 10.910 RESID 102 (E): C 173.700 173.700 174.490 -0.790 RESID 102 (E): CA 54.480 54.480 54.019 0.461 RESID 102 (E): CB 29.790 29.790 27.761 2.029 RESID 102 (E): H 8.294 8.294 8.011 0.283 RESID 103 (P): C 175.400 175.400 176.234 -0.834 RESID 103 (P): CA 62.040 62.040 63.424 -1.384 RESID 103 (P): CB 32.570 32.570 32.660 -0.090 RESID 104 (S): N 111.900 111.900 117.120 -5.220 RESID 104 (S): C 174.800 174.800 174.648 0.152 RESID 104 (S): CA 55.340 55.340 58.501 -3.161 RESID 104 (S): CB 64.330 64.330 64.411 -0.081 RESID 104 (S): H 5.412 5.412 7.971 -2.559 RESID 105 (A): N 130.200 130.200 129.948 0.252 RESID 105 (A): C 179.400 179.400 179.057 0.343 RESID 105 (A): CA 55.070 55.070 54.328 0.742 RESID 105 (A): CB 18.210 18.210 19.106 -0.896 RESID 105 (A): H 9.211 9.211 8.881 0.330 RESID 106 (E): N 119.800 119.800 119.428 0.372 RESID 106 (E): C 179.300 179.300 178.858 0.442 RESID 106 (E): CA 60.270 60.270 59.024 1.246 RESID 106 (E): CB 28.990 28.990 29.465 -0.475 RESID 106 (E): H 8.731 8.731 8.589 0.142 RESID 107 (A): N 121.600 121.600 122.071 -0.471 RESID 107 (A): C 180.100 180.100 179.830 0.270 RESID 107 (A): CA 54.650 54.650 54.987 -0.337 RESID 107 (A): CB 19.220 19.220 18.449 0.771 RESID 107 (A): H 7.682 7.682 7.823 -0.141 RESID 108 (V): N 116.600 116.600 118.885 -2.285 RESID 108 (V): C 177.700 177.700 178.511 -0.811 RESID 108 (V): CA 66.920 66.920 65.742 1.178 RESID 108 (V): CB 31.430 31.430 31.319 0.111 RESID 108 (V): H 7.015 7.015 7.490 -0.475 RESID 109 (A): N 121.400 121.400 123.047 -1.647 RESID 109 (A): C 181.100 181.100 179.263 1.837 RESID 109 (A): CA 55.540 55.540 54.994 0.546 RESID 109 (A): CB 17.900 17.900 18.015 -0.115 RESID 109 (A): H 8.262 8.262 8.123 0.139 RESID 110 (A): N 118.800 118.800 119.533 -0.733 RESID 110 (A): C 178.900 178.900 178.648 0.252 RESID 110 (A): CA 54.300 54.300 54.548 -0.248 RESID 110 (A): CB 18.460 18.460 18.490 -0.030 RESID 110 (A): H 7.607 7.607 7.915 -0.308 RESID 111 (Q): N 113.500 113.500 114.533 -1.033 RESID 111 (Q): C 174.900 174.900 175.947 -1.047 RESID 111 (Q): CA 55.160 55.160 54.263 0.897 RESID 111 (Q): CB 28.450 28.450 28.668 -0.217 RESID 111 (Q): H 7.148 7.148 7.439 -0.291 RESID 112 (M): N 114.700 114.700 120.866 -6.166 RESID 112 (M): C 173.300 173.300 173.246 0.054 RESID 112 (M): CA 55.900 55.900 55.509 0.391 RESID 112 (M): CB 30.300 30.300 31.740 -1.440 RESID 112 (M): H 7.882 7.882 7.923 -0.041 RESID 113 (P): C 176.700 176.700 176.290 0.410 RESID 113 (P): CA 62.820 62.820 62.562 0.258 RESID 113 (P): CB 33.340 33.340 33.014 0.326 RESID 114 (D): N 115.800 115.800 117.926 -2.126 RESID 114 (D): C 175.900 175.900 175.936 -0.036 RESID 114 (D): CA 53.150 53.150 55.250 -2.100 RESID 114 (D): CB 40.990 40.990 42.901 -1.911 RESID 114 (D): H 8.850 8.850 8.215 0.635 RESID 115 (L): C 174.900 174.900 174.318 0.582 RESID 115 (L): CA 52.800 52.800 54.115 -1.315 RESID 116 (I): N 123.500 123.500 126.148 -2.648 RESID 116 (I): CA 60.270 60.270 60.086 0.185 RESID 116 (I): H 9.340 9.340 8.099 1.241 RESID 118 (I): C 174.400 174.400 175.432 -1.032 RESID 118 (I): CA 60.250 60.250 59.788 0.462 RESID 118 (I): CB 42.610 42.610 41.413 1.197 RESID 119 (S): N 121.600 121.600 121.557 0.043 RESID 119 (S): C 175.700 175.700 175.070 0.630 RESID 119 (S): CA 57.150 57.150 57.764 -0.613 RESID 119 (S): CB 65.280 65.280 64.561 0.719 RESID 119 (S): H 9.575 9.575 8.570 1.005 RESID 120 (A): N 126.000 126.000 124.710 1.290 RESID 120 (A): C 176.900 176.900 177.433 -0.533 RESID 120 (A): CA 54.300 54.300 54.353 -0.053 RESID 120 (A): CB 20.530 20.530 19.036 1.494 RESID 120 (A): H 8.143 8.143 8.683 -0.540 RESID 121 (T): N 106.400 106.400 110.085 -3.685 RESID 121 (T): C 173.000 173.000 173.384 -0.384 RESID 121 (T): CA 59.450 59.450 61.916 -2.466 RESID 121 (T): CB 72.310 72.310 70.625 1.685 RESID 121 (T): H 7.617 7.617 7.985 -0.368 RESID 122 (G): N 104.200 104.200 111.424 -7.224 RESID 122 (G): C 177.200 177.200 174.178 3.022 RESID 122 (G): CA 44.430 44.430 45.218 -0.787 RESID 122 (G): H 7.998 7.998 7.880 0.118 RESID 123 (G): C 174.100 174.100 174.324 -0.224 RESID 123 (G): CA 46.710 46.710 45.681 1.029 RESID 124 (D): N 116.900 116.900 119.152 -2.252 RESID 124 (D): C 176.900 176.900 175.730 1.170 RESID 124 (D): CA 52.320 52.320 52.893 -0.573 RESID 124 (D): CB 40.690 40.690 40.638 0.052 RESID 124 (D): H 8.617 8.617 7.725 0.892 RESID 125 (S): N 115.100 115.100 119.090 -3.990 RESID 125 (S): C 176.900 176.900 175.164 1.736 RESID 125 (S): CA 58.750 58.750 58.671 0.079 RESID 125 (S): CB 64.190 64.190 64.073 0.117 RESID 125 (S): H 7.322 7.322 8.436 -1.114 RESID 126 (A): N 134.900 134.900 130.084 4.816 RESID 126 (A): C 176.700 176.700 178.665 -1.965 RESID 126 (A): CA 51.150 51.150 53.515 -2.365 RESID 126 (A): CB 16.850 16.850 19.081 -2.231 RESID 126 (A): H 8.837 8.837 8.634 0.203 RESID 127 (L): N 121.000 121.000 121.031 -0.031 RESID 127 (L): C 178.900 178.900 178.337 0.563 RESID 127 (L): CA 58.730 58.730 57.267 1.463 RESID 127 (L): CB 42.840 42.840 41.615 1.225 RESID 127 (L): H 7.353 7.353 8.158 -0.805 RESID 128 (A): N 121.600 121.600 118.103 3.497 RESID 128 (A): C 178.900 178.900 178.105 0.795 RESID 128 (A): CA 55.010 55.010 54.152 0.858 RESID 128 (A): CB 18.200 18.200 18.695 -0.495 RESID 128 (A): H 8.918 8.918 7.620 1.298 RESID 129 (L): N 116.800 116.800 116.129 0.671 RESID 129 (L): C 177.000 177.000 177.860 -0.860 RESID 129 (L): CA 53.930 53.930 55.228 -1.298 RESID 129 (L): CB 42.710 42.710 43.122 -0.412 RESID 129 (L): H 7.776 7.776 7.424 0.352 RESID 130 (Y): N 122.000 122.000 122.857 -0.857 RESID 130 (Y): C 177.100 177.100 176.750 0.350 RESID 130 (Y): CA 64.420 64.420 62.913 1.507 RESID 130 (Y): CB 39.470 39.470 38.454 1.016 RESID 130 (Y): H 7.891 7.891 8.978 -1.087 RESID 131 (D): N 119.000 119.000 117.757 1.243 RESID 131 (D): C 178.300 178.300 178.471 -0.171 RESID 131 (D): CA 58.040 58.040 57.451 0.589 RESID 131 (D): CB 39.660 39.660 39.356 0.304 RESID 131 (D): H 9.014 9.014 8.115 0.899 RESID 132 (Q): N 118.900 118.900 120.042 -1.142 RESID 132 (Q): C 179.100 179.100 178.890 0.210 RESID 132 (Q): CA 58.930 58.930 58.627 0.303 RESID 132 (Q): CB 29.320 29.320 28.762 0.558 RESID 132 (Q): H 7.814 7.814 8.015 -0.201 RESID 133 (L): N 119.700 119.700 120.155 -0.455 RESID 133 (L): C 177.900 177.900 178.597 -0.697 RESID 133 (L): CA 57.910 57.910 57.662 0.248 RESID 133 (L): CB 40.980 40.980 41.784 -0.804 RESID 133 (L): H 8.450 8.450 8.793 -0.343 RESID 134 (S): N 111.800 111.800 114.792 -2.992 RESID 134 (S): C 175.500 175.500 176.090 -0.590 RESID 134 (S): CA 61.160 61.160 61.344 -0.184 RESID 134 (S): CB 63.450 63.450 62.736 0.714 RESID 134 (S): H 8.128 8.128 8.472 -0.344 RESID 135 (T): N 111.100 111.100 116.033 -4.933 RESID 135 (T): C 175.300 175.300 176.627 -1.327 RESID 135 (T): CA 63.230 63.230 65.310 -2.080 RESID 135 (T): CB 69.670 69.670 69.013 0.657 RESID 135 (T): H 6.953 6.953 7.561 -0.608 RESID 136 (I): N 124.400 124.400 120.505 3.895 RESID 136 (I): C 175.800 175.800 175.572 0.228 RESID 136 (I): CA 63.940 63.940 64.013 -0.073 RESID 136 (I): CB 38.870 38.870 38.568 0.302 RESID 136 (I): H 7.694 7.694 7.356 0.338 RESID 137 (A): N 120.500 120.500 118.620 1.880 RESID 137 (A): C 172.300 172.300 173.987 -1.687 RESID 137 (A): CA 50.470 50.470 50.574 -0.104 RESID 137 (A): CB 19.320 19.320 19.480 -0.160 RESID 137 (A): H 7.540 7.540 7.970 -0.430 RESID 138 (P): C 174.700 174.700 176.154 -1.454 RESID 138 (P): CA 64.700 64.700 63.645 1.055 RESID 138 (P): CB 31.610 31.610 31.501 0.109 RESID 139 (T): N 122.000 122.000 119.760 2.240 RESID 139 (T): C 173.900 173.900 173.909 -0.009 RESID 139 (T): CA 61.630 61.630 63.116 -1.486 RESID 139 (T): CB 71.540 71.540 69.705 1.835 RESID 139 (T): H 7.990 7.990 8.146 -0.156 RESID 140 (L): C 174.900 174.900 174.296 0.604 RESID 140 (L): CA 52.740 52.740 53.471 -0.731 RESID 140 (L): CB 46.680 46.680 46.205 0.475 RESID 141 (I): N 123.500 123.500 125.365 -1.865 RESID 141 (I): C 175.700 175.700 174.682 1.018 RESID 141 (I): CA 60.250 60.250 61.093 -0.843 RESID 141 (I): CB 39.590 39.590 38.691 0.899 RESID 141 (I): H 9.345 9.345 7.882 1.463 RESID 142 (I): N 129.000 129.000 127.054 1.946 RESID 142 (I): C 174.400 174.400 174.193 0.207 RESID 142 (I): CA 57.930 57.930 59.828 -1.898 RESID 142 (I): CB 39.690 39.690 42.217 -2.527 RESID 142 (I): H 9.030 9.030 9.005 0.025 RESID 143 (N): N 129.100 129.100 124.387 4.713 RESID 143 (N): C 174.700 174.700 174.180 0.520 RESID 143 (N): CA 51.390 51.390 53.331 -1.940 RESID 143 (N): CB 39.720 39.720 39.617 0.103 RESID 143 (N): H 9.388 9.388 8.662 0.726 RESID 144 (Y): N 119.900 119.900 126.327 -6.427 RESID 144 (Y): C 176.500 176.500 174.874 1.626 RESID 144 (Y): CA 55.820 55.820 59.691 -3.871 RESID 144 (Y): CB 39.120 39.120 39.130 -0.010 RESID 144 (Y): H 8.491 8.491 8.551 -0.060 RESID 145 (D): N 125.200 125.200 124.346 0.854 RESID 145 (D): C 176.800 176.800 175.011 1.789 RESID 145 (D): CA 55.220 55.220 55.459 -0.239 RESID 145 (D): CB 43.120 43.120 39.758 3.362 RESID 145 (D): H 8.800 8.800 8.343 0.457 RESID 146 (D): N 119.100 119.100 114.989 4.111 RESID 146 (D): C 175.200 175.200 175.287 -0.087 RESID 146 (D): CA 53.230 53.230 53.629 -0.399 RESID 146 (D): CB 40.760 40.760 42.469 -1.709 RESID 146 (D): H 7.571 7.571 8.586 -1.015 RESID 147 (K): N 114.100 114.100 119.832 -5.732 RESID 147 (K): C 175.000 175.000 175.274 -0.274 RESID 147 (K): CA 54.070 54.070 55.615 -1.545 RESID 147 (K): CB 33.340 33.340 35.118 -1.778 RESID 147 (K): H 7.018 7.018 7.565 -0.547 RESID 148 (S): N 118.300 118.300 118.759 -0.459 RESID 148 (S): C 175.700 175.700 176.076 -0.376 RESID 148 (S): CA 57.120 57.120 57.188 -0.068 RESID 148 (S): CB 64.970 64.970 64.283 0.687 RESID 148 (S): H 8.709 8.709 8.489 0.220 RESID 149 (W): N 121.700 121.700 119.839 1.861 RESID 149 (W): C 179.300 179.300 177.236 2.064 RESID 149 (W): CA 59.890 59.890 58.566 1.324 RESID 149 (W): CB 27.660 27.660 28.391 -0.731 RESID 149 (W): H 8.779 8.779 8.893 -0.114 RESID 150 (Q): N 124.600 124.600 121.402 3.198 RESID 150 (Q): C 178.100 178.100 177.802 0.298 RESID 150 (Q): CA 61.660 61.660 58.296 3.364 RESID 150 (Q): CB 26.550 26.550 27.745 -1.196 RESID 150 (Q): H 8.369 8.369 6.755 1.614 RESID 151 (S): N 117.500 117.500 116.186 1.314 RESID 151 (S): C 177.500 177.500 177.017 0.483 RESID 151 (S): CA 61.760 61.760 61.166 0.594 RESID 151 (S): CB 63.360 63.360 62.743 0.617 RESID 151 (S): H 7.769 7.769 7.762 0.007 RESID 152 (L): N 125.200 125.200 122.953 2.247 RESID 152 (L): C 178.700 178.700 178.129 0.571 RESID 152 (L): CA 58.320 58.320 57.936 0.384 RESID 152 (L): CB 41.980 41.980 41.703 0.277 RESID 152 (L): H 8.460 8.460 8.400 0.060 RESID 153 (L): N 119.200 119.200 118.649 0.551 RESID 153 (L): C 179.700 179.700 178.659 1.041 RESID 153 (L): CA 58.960 58.960 57.521 1.439 RESID 153 (L): CB 41.270 41.270 41.368 -0.098 RESID 153 (L): H 8.562 8.562 7.636 0.926 RESID 154 (T): N 116.300 116.300 112.852 3.448 RESID 154 (T): C 177.200 177.200 176.889 0.311 RESID 154 (T): CA 67.290 67.290 65.988 1.302 RESID 154 (T): CB 68.640 68.640 68.099 0.541 RESID 154 (T): H 8.004 8.004 7.880 0.124 RESID 155 (Q): N 124.500 124.500 120.987 3.513 RESID 155 (Q): C 179.200 179.200 178.001 1.199 RESID 155 (Q): CA 59.710 59.710 58.346 1.364 RESID 155 (Q): CB 28.620 28.620 28.343 0.277 RESID 155 (Q): H 8.230 8.230 7.909 0.321 RESID 156 (L): C 180.900 180.900 179.269 1.631 RESID 156 (L): CA 57.540 57.540 56.918 0.622 RESID 156 (L): CB 41.710 41.710 41.838 -0.128 RESID 157 (G): N 112.800 112.800 107.036 5.764 RESID 157 (G): C 174.500 174.500 175.061 -0.561 RESID 157 (G): CA 48.300 48.300 46.517 1.784 RESID 157 (G): H 9.216 9.216 7.997 1.220 RESID 158 (E): N 123.500 123.500 118.623 4.877 RESID 158 (E): C 177.800 177.800 177.135 0.665 RESID 158 (E): CA 59.120 59.120 57.842 1.278 RESID 158 (E): CB 29.700 29.700 29.387 0.313 RESID 158 (E): H 7.480 7.480 7.472 0.008 RESID 160 (T): C 178.300 178.300 175.990 2.310 RESID 160 (T): CA 61.930 61.930 63.135 -1.205 RESID 160 (T): CB 71.830 71.830 69.214 2.616 RESID 161 (G): N 113.600 113.600 113.839 -0.239 RESID 161 (G): C 174.600 174.600 174.151 0.449 RESID 161 (G): CA 48.130 48.130 46.894 1.236 RESID 161 (G): H 8.114 8.114 8.996 -0.882 RESID 162 (H): N 121.000 121.000 116.012 4.988 RESID 162 (H): C 174.000 174.000 176.143 -2.143 RESID 162 (H): CA 55.370 55.370 55.802 -0.432 RESID 162 (H): CB 28.280 28.280 31.274 -2.994 RESID 162 (H): H 8.506 8.506 7.833 0.673 RESID 163 (E): N 123.900 123.900 122.179 1.721 RESID 163 (E): C 180.800 180.800 178.474 2.326 RESID 163 (E): CA 61.160 61.160 59.737 1.423 RESID 163 (E): CB 28.720 28.720 29.154 -0.434 RESID 163 (E): H 10.300 10.300 8.771 1.529 RESID 164 (K): N 120.600 120.600 120.372 0.228 RESID 164 (K): C 178.700 178.700 178.790 -0.090 RESID 164 (K): CA 59.590 59.590 60.042 -0.452 RESID 164 (K): CB 32.280 32.280 31.973 0.307 RESID 164 (K): H 8.789 8.789 8.391 0.398 RESID 165 (Q): N 119.500 119.500 117.296 2.204 RESID 165 (Q): C 178.800 178.800 178.131 0.669 RESID 165 (Q): CA 60.870 60.870 58.843 2.027 RESID 165 (Q): CB 28.120 28.120 28.384 -0.264 RESID 165 (Q): H 8.058 8.058 8.543 -0.485 RESID 166 (A): N 121.100 121.100 122.417 -1.317 RESID 166 (A): C 178.000 178.000 179.425 -1.425 RESID 166 (A): CA 56.280 56.280 54.959 1.321 RESID 166 (A): CB 18.300 18.300 18.073 0.227 RESID 166 (A): H 7.873 7.873 8.009 -0.136 RESID 167 (A): N 117.900 117.900 120.929 -3.029 RESID 167 (A): C 181.500 181.500 179.610 1.890 RESID 167 (A): CA 55.100 55.100 55.251 -0.151 RESID 167 (A): CB 17.860 17.860 18.166 -0.306 RESID 167 (A): H 7.642 7.642 8.730 -1.088 RESID 168 (E): N 120.100 120.100 118.584 1.516 RESID 168 (E): C 179.600 179.600 179.128 0.472 RESID 168 (E): CA 59.610 59.610 59.618 -0.008 RESID 168 (E): CB 29.790 29.790 29.337 0.453 RESID 168 (E): H 8.230 8.230 7.913 0.317 RESID 170 (I): C 177.700 177.700 177.700 0.000 RESID 170 (I): CA 66.880 66.880 65.307 1.573 RESID 170 (I): CB 39.310 39.310 37.950 1.360 RESID 171 (A): N 120.700 120.700 123.171 -2.471 RESID 171 (A): C 181.200 181.200 179.839 1.361 RESID 171 (A): CA 55.290 55.290 55.633 -0.343 RESID 171 (A): CB 18.260 18.260 18.116 0.144 RESID 171 (A): H 8.000 8.000 8.772 -0.772 RESID 172 (Q): N 120.600 120.600 118.014 2.586 RESID 172 (Q): C 179.200 179.200 178.580 0.620 RESID 172 (Q): CA 59.210 59.210 58.493 0.717 RESID 172 (Q): CB 28.340 28.340 28.597 -0.257 RESID 172 (Q): H 8.585 8.585 7.947 0.638 RESID 173 (F): N 122.500 122.500 122.635 -0.135 RESID 173 (F): C 176.400 176.400 177.411 -1.011 RESID 173 (F): CA 62.710 62.710 61.116 1.594 RESID 173 (F): CB 39.490 39.490 39.127 0.363 RESID 173 (F): H 8.457 8.457 8.762 -0.305 RESID 174 (D): N 121.000 121.000 120.096 0.904 RESID 174 (D): C 180.300 180.300 178.875 1.425 RESID 174 (D): CA 58.040 58.040 57.495 0.545 RESID 174 (D): CB 40.160 40.160 40.251 -0.091 RESID 174 (D): H 8.771 8.771 9.032 -0.261 RESID 175 (K): N 121.300 121.300 120.226 1.074 RESID 175 (K): C 179.800 179.800 178.636 1.164 RESID 175 (K): CA 59.630 59.630 59.642 -0.012 RESID 175 (K): CB 32.710 32.710 32.395 0.315 RESID 175 (K): H 8.125 8.125 8.181 -0.056 RESID 176 (Q): N 121.600 121.600 119.512 2.088 RESID 176 (Q): C 179.100 179.100 178.324 0.776 RESID 176 (Q): CA 58.460 58.460 58.941 -0.482 RESID 176 (Q): CB 27.990 27.990 28.522 -0.532 RESID 176 (Q): H 8.164 8.164 7.830 0.334 RESID 177 (L): N 125.600 125.600 119.598 6.002 RESID 177 (L): C 178.400 178.400 178.684 -0.284 RESID 177 (L): CA 59.890 59.890 57.234 2.656 RESID 177 (L): CB 41.200 41.200 41.362 -0.162 RESID 177 (L): H 8.944 8.944 7.743 1.201 RESID 178 (A): N 121.500 121.500 122.547 -1.047 RESID 178 (A): C 180.600 180.600 179.231 1.369 RESID 178 (A): CA 55.390 55.390 55.195 0.195 RESID 178 (A): CB 17.970 17.970 17.884 0.086 RESID 178 (A): H 7.690 7.690 8.238 -0.548 RESID 179 (A): N 120.200 120.200 121.000 -0.800 RESID 179 (A): C 180.600 180.600 179.887 0.713 RESID 179 (A): CA 54.860 54.860 54.525 0.335 RESID 179 (A): CB 18.190 18.190 18.596 -0.406 RESID 179 (A): H 7.706 7.706 7.668 0.038 RESID 180 (A): N 121.800 121.800 121.815 -0.015 RESID 180 (A): C 179.200 179.200 179.102 0.098 RESID 180 (A): CA 55.490 55.490 54.749 0.741 RESID 180 (A): CB 17.920 17.920 18.173 -0.253 RESID 180 (A): H 8.171 8.171 8.007 0.164 RESID 181 (K): N 118.100 118.100 117.924 0.176 RESID 181 (K): C 178.000 178.000 178.105 -0.105 RESID 181 (K): CA 59.830 59.830 59.200 0.630 RESID 181 (K): CB 33.340 33.340 32.632 0.708 RESID 181 (K): H 8.342 8.342 8.294 0.048 RESID 182 (E): N 114.400 114.400 116.551 -2.151 RESID 182 (E): C 177.300 177.300 177.447 -0.147 RESID 182 (E): CA 57.870 57.870 57.112 0.758 RESID 182 (E): CB 30.320 30.320 29.254 1.066 RESID 182 (E): H 7.153 7.153 7.759 -0.606 RESID 183 (Q): N 116.700 116.700 117.402 -0.702 RESID 183 (Q): C 177.200 177.200 176.187 1.013 RESID 183 (Q): CA 57.060 57.060 56.843 0.217 RESID 183 (Q): CB 31.550 31.550 31.112 0.438 RESID 183 (Q): H 7.458 7.458 7.638 -0.180 RESID 184 (I): N 117.800 117.800 115.851 1.949 RESID 184 (I): C 175.200 175.200 174.241 0.959 RESID 184 (I): CA 63.000 63.000 59.747 3.253 RESID 184 (I): CB 40.300 40.300 39.956 0.344 RESID 184 (I): H 7.723 7.723 7.432 0.291 RESID 185 (K): N 127.700 127.700 122.929 4.771 RESID 185 (K): C 175.600 175.600 175.633 -0.033 RESID 185 (K): CA 54.550 54.550 55.125 -0.575 RESID 185 (K): CB 31.600 31.600 34.505 -2.905 RESID 185 (K): H 8.743 8.743 7.911 0.832 RESID 186 (L): N 124.700 124.700 125.743 -1.043 RESID 186 (L): C 175.700 175.700 175.914 -0.214 RESID 186 (L): CA 54.240 54.240 51.909 2.331 RESID 186 (L): CB 41.050 41.050 40.674 0.376 RESID 186 (L): H 8.051 8.051 8.474 -0.423 RESID 188 (P): C 174.800 174.800 176.246 -1.446 RESID 188 (P): CA 65.060 65.060 63.590 1.470 RESID 188 (P): CB 32.670 32.670 31.679 0.991 RESID 189 (Q): N 121.300 121.300 121.051 0.249 RESID 189 (Q): C 174.800 174.800 172.930 1.870 RESID 189 (Q): CA 52.330 52.330 54.707 -2.377 RESID 189 (Q): CB 31.350 31.350 30.411 0.939 RESID 189 (Q): H 8.061 8.061 8.221 -0.160 RESID 190 (P): C 175.500 175.500 175.556 -0.056 RESID 190 (P): CA 62.820 62.820 62.464 0.356 RESID 190 (P): CB 35.450 35.450 32.823 2.627 RESID 191 (V): N 112.600 112.600 121.545 -8.945 RESID 191 (V): C 174.300 174.300 173.967 0.333 RESID 191 (V): CA 59.740 59.740 59.527 0.213 RESID 191 (V): CB 35.030 35.030 34.687 0.343 RESID 191 (V): H 9.214 9.214 8.499 0.715 RESID 192 (T): N 120.700 120.700 113.361 7.339 RESID 192 (T): C 172.300 172.300 172.096 0.204 RESID 192 (T): CA 63.030 63.030 59.521 3.509 RESID 192 (T): CB 71.550 71.550 71.263 0.287 RESID 192 (T): H 8.462 8.462 8.334 0.128 RESID 193 (A): N 132.900 132.900 123.013 9.887 RESID 193 (A): C 175.400 175.400 175.417 -0.017 RESID 193 (A): CA 50.570 50.570 51.099 -0.529 RESID 193 (A): CB 21.140 21.140 21.459 -0.319 RESID 193 (A): H 10.170 10.170 8.557 1.613 RESID 194 (I): N 115.400 115.400 117.442 -2.042 RESID 194 (I): C 176.600 176.600 173.696 2.904 RESID 194 (I): CA 59.540 59.540 60.009 -0.469 RESID 194 (I): CB 43.930 43.930 42.115 1.815 RESID 194 (I): H 9.269 9.269 8.552 0.717 RESID 195 (V): N 118.500 118.500 122.753 -4.253 RESID 195 (V): C 176.200 176.200 174.061 2.139 RESID 195 (V): CA 63.190 63.190 61.380 1.810 RESID 195 (V): CB 34.870 34.870 34.716 0.154 RESID 195 (V): H 8.484 8.484 8.640 -0.156 RESID 196 (Y): N 132.200 132.200 129.470 2.730 RESID 196 (Y): C 174.700 174.700 174.142 0.558 RESID 196 (Y): CA 57.000 57.000 57.417 -0.417 RESID 196 (Y): CB 41.250 41.250 40.183 1.067 RESID 196 (Y): H 9.989 9.989 8.979 1.010 RESID 197 (T): N 124.900 124.900 123.392 1.508 RESID 197 (T): C 174.300 174.300 173.379 0.921 RESID 197 (T): CA 60.740 60.740 60.630 0.110 RESID 197 (T): CB 68.560 68.560 71.595 -3.035 RESID 197 (T): H 8.262 8.262 7.822 0.440 RESID 198 (A): N 130.500 130.500 130.752 -0.252 RESID 198 (A): C 180.400 180.400 179.263 1.137 RESID 198 (A): CA 55.510 55.510 54.369 1.141 RESID 198 (A): CB 18.480 18.480 18.408 0.072 RESID 198 (A): H 8.524 8.524 8.858 -0.334 RESID 199 (A): N 118.700 118.700 123.568 -4.868 RESID 199 (A): C 177.700 177.700 178.706 -1.006 RESID 199 (A): CA 54.350 54.350 54.867 -0.517 RESID 199 (A): CB 18.350 18.350 17.917 0.433 RESID 199 (A): H 8.578 8.578 8.291 0.287 RESID 200 (A): N 116.700 116.700 120.532 -3.832 RESID 200 (A): C 176.600 176.600 177.262 -0.662 RESID 200 (A): CA 51.290 51.290 52.064 -0.774 RESID 200 (A): CB 20.180 20.180 18.862 1.318 RESID 200 (A): H 6.638 6.638 8.109 -1.471 RESID 201 (H): N 116.900 116.900 116.608 0.292 RESID 201 (H): C 172.900 172.900 173.411 -0.511 RESID 201 (H): CA 56.710 56.710 56.350 0.360 RESID 201 (H): CB 27.820 27.820 28.251 -0.431 RESID 201 (H): H 7.569 7.569 7.818 -0.249 RESID 202 (S): N 110.500 110.500 114.428 -3.928 RESID 202 (S): C 171.500 171.500 171.454 0.046 RESID 202 (S): CA 56.530 56.530 57.591 -1.061 RESID 202 (S): CB 66.170 66.170 66.306 -0.136 RESID 202 (S): H 7.109 7.109 7.795 -0.686 RESID 203 (A): N 120.900 120.900 123.841 -2.941 RESID 203 (A): C 174.900 174.900 175.287 -0.387 RESID 203 (A): CA 50.890 50.890 51.422 -0.532 RESID 203 (A): CB 24.510 24.510 22.195 2.314 RESID 203 (A): H 8.618 8.618 8.308 0.310 RESID 204 (N): N 118.900 118.900 118.814 0.086 RESID 204 (N): C 173.300 173.300 173.449 -0.149 RESID 204 (N): CA 51.520 51.520 52.065 -0.545 RESID 204 (N): CB 40.080 40.080 42.190 -2.110 RESID 204 (N): H 8.333 8.333 8.228 0.105 RESID 205 (L): N 127.200 127.200 121.675 5.525 RESID 205 (L): C 175.700 175.700 175.562 0.138 RESID 205 (L): CA 54.920 54.920 54.064 0.856 RESID 205 (L): CB 44.180 44.180 42.621 1.559 RESID 205 (L): H 9.265 9.265 7.619 1.646 RESID 206 (W): N 125.300 125.300 123.650 1.650 RESID 206 (W): C 177.100 177.100 176.455 0.645 RESID 206 (W): CA 56.630 56.630 57.368 -0.738 RESID 206 (W): CB 29.690 29.690 30.825 -1.135 RESID 206 (W): H 8.560 8.560 7.913 0.647 RESID 207 (T): N 112.000 112.000 110.157 1.843 RESID 207 (T): C 176.100 176.100 173.276 2.824 RESID 207 (T): CA 60.120 60.120 59.248 0.871 RESID 207 (T): CB 68.540 68.540 70.377 -1.837 RESID 207 (T): H 8.029 8.029 8.135 -0.106 RESID 208 (P): C 176.000 176.000 176.858 -0.858 RESID 208 (P): CA 66.120 66.120 65.406 0.714 RESID 208 (P): CB 31.950 31.950 32.168 -0.218 RESID 209 (E): N 112.300 112.300 115.024 -2.724 RESID 209 (E): C 177.100 177.100 176.805 0.295 RESID 209 (E): CA 57.280 57.280 57.202 0.078 RESID 209 (E): CB 29.760 29.760 30.143 -0.383 RESID 209 (E): H 7.612 7.612 7.956 -0.344 RESID 210 (S): N 115.800 115.800 115.057 0.743 RESID 210 (S): C 173.900 173.900 175.521 -1.621 RESID 210 (S): CA 58.060 58.060 59.199 -1.139 RESID 210 (S): CB 67.320 67.320 64.472 2.848 RESID 210 (S): H 7.654 7.654 7.424 0.230 RESID 211 (A): N 125.200 125.200 127.308 -2.108 RESID 211 (A): C 180.600 180.600 179.844 0.756 RESID 211 (A): CA 55.410 55.410 55.323 0.087 RESID 211 (A): CB 18.530 18.530 18.767 -0.237 RESID 211 (A): H 8.874 8.874 9.023 -0.149 RESID 212 (Q): N 119.200 119.200 118.629 0.571 RESID 212 (Q): C 177.100 177.100 178.016 -0.916 RESID 212 (Q): CA 61.410 61.410 58.966 2.444 RESID 212 (Q): CB 27.090 27.090 27.424 -0.334 RESID 212 (Q): H 8.493 8.493 8.474 0.019 RESID 213 (G): N 107.500 107.500 107.663 -0.163 RESID 213 (G): C 175.400 175.400 176.309 -0.909 RESID 213 (G): CA 47.520 47.520 46.824 0.696 RESID 213 (G): H 8.053 8.053 8.292 -0.239 RESID 214 (Q): N 120.700 120.700 121.513 -0.813 RESID 214 (Q): C 179.000 179.000 178.399 0.601 RESID 214 (Q): CA 59.150 59.150 58.877 0.273 RESID 214 (Q): CB 29.110 29.110 28.685 0.425 RESID 214 (Q): H 8.501 8.501 8.088 0.413 RESID 215 (M): N 119.200 119.200 120.605 -1.405 RESID 215 (M): C 177.800 177.800 178.179 -0.379 RESID 215 (M): CA 59.760 59.760 59.644 0.116 RESID 215 (M): CB 32.050 32.050 32.844 -0.794 RESID 215 (M): H 7.878 7.878 8.180 -0.302 RESID 216 (L): N 115.800 115.800 118.859 -3.059 RESID 216 (L): C 179.900 179.900 179.031 0.869 RESID 216 (L): CA 58.160 58.160 57.670 0.489 RESID 216 (L): CB 40.010 40.010 41.453 -1.443 RESID 216 (L): H 7.517 7.517 7.993 -0.476 RESID 217 (E): N 121.000 121.000 119.670 1.330 RESID 217 (E): C 182.200 182.200 179.255 2.945 RESID 217 (E): CA 60.210 60.210 58.928 1.282 RESID 217 (E): CB 29.150 29.150 29.425 -0.275 RESID 217 (E): H 8.377 8.377 8.211 0.166 RESID 218 (Q): N 122.300 122.300 117.080 5.220 RESID 218 (Q): C 178.100 178.100 178.856 -0.756 RESID 218 (Q): CA 59.220 59.220 58.242 0.978 RESID 218 (Q): CB 28.850 28.850 29.138 -0.288 RESID 218 (Q): H 8.464 8.464 7.937 0.527 RESID 219 (L): N 118.400 118.400 117.625 0.775 RESID 219 (L): C 175.200 175.200 177.457 -2.257 RESID 219 (L): CA 55.880 55.880 57.206 -1.326 RESID 219 (L): CB 44.330 44.330 42.870 1.460 RESID 219 (L): H 7.433 7.433 7.791 -0.358 RESID 220 (G): N 104.600 104.600 102.699 1.901 RESID 220 (G): C 174.700 174.700 172.917 1.783 RESID 220 (G): CA 44.750 44.750 44.687 0.063 RESID 220 (G): H 7.777 7.777 8.173 -0.396 RESID 221 (F): N 119.100 119.100 118.768 0.332 RESID 221 (F): C 175.200 175.200 174.122 1.078 RESID 221 (F): CA 57.900 57.900 55.983 1.917 RESID 221 (F): CB 38.930 38.930 42.562 -3.632 RESID 221 (F): H 8.001 8.001 7.789 0.212 RESID 222 (T): N 117.600 117.600 116.237 1.363 RESID 222 (T): C 173.900 173.900 173.466 0.434 RESID 222 (T): CA 61.790 61.790 61.378 0.412 RESID 222 (T): CB 71.360 71.360 69.552 1.808 RESID 222 (T): H 8.961 8.961 8.742 0.219 RESID 223 (L): N 128.300 128.300 127.099 1.201 RESID 223 (L): C 178.300 178.300 176.636 1.664 RESID 223 (L): CA 54.760 54.760 53.403 1.357 RESID 223 (L): CB 41.600 41.600 42.750 -1.150 RESID 223 (L): H 9.269 9.269 8.211 1.058 RESID 224 (A): N 126.800 126.800 128.095 -1.295 RESID 224 (A): C 177.400 177.400 175.865 1.535 RESID 224 (A): CA 52.460 52.460 50.993 1.467 RESID 224 (A): CB 18.650 18.650 20.827 -2.177 RESID 224 (A): H 9.077 9.077 8.111 0.966 RESID 225 (K): N 123.400 123.400 121.176 2.224 RESID 225 (K): C 176.800 176.800 176.193 0.607 RESID 225 (K): CA 55.600 55.600 55.578 0.022 RESID 225 (K): CB 33.080 33.080 32.898 0.182 RESID 225 (K): H 8.601 8.601 8.363 0.238 RESID 226 (L): N 126.200 126.200 128.008 -1.808 RESID 226 (L): C 175.500 175.500 175.604 -0.104 RESID 226 (L): CA 53.420 53.420 53.957 -0.537 RESID 226 (L): CB 41.720 41.720 41.248 0.472 RESID 226 (L): H 8.634 8.634 8.520 0.114 RESID 227 (P): C 176.800 176.800 177.069 -0.269 RESID 227 (P): CA 62.860 62.860 62.888 -0.028 RESID 227 (P): CB 32.360 32.360 32.190 0.170 RESID 228 (A): N 124.900 124.900 124.835 0.065 RESID 228 (A): C 179.500 179.500 178.497 1.003 RESID 228 (A): CA 54.120 54.120 53.417 0.703 RESID 228 (A): CB 18.710 18.710 18.704 0.006 RESID 228 (A): H 8.412 8.412 8.512 -0.101 RESID 229 (G): N 107.700 107.700 107.503 0.197 RESID 229 (G): C 175.000 175.000 175.953 -0.953 RESID 229 (G): CA 46.040 46.040 45.427 0.613 RESID 229 (G): H 8.565 8.565 8.104 0.461 RESID 230 (L): N 121.100 121.100 122.227 -1.127 RESID 230 (L): C 176.900 176.900 178.378 -1.478 RESID 230 (L): CA 55.620 55.620 55.498 0.122 RESID 230 (L): CB 42.630 42.630 41.672 0.958 RESID 230 (L): H 7.454 7.454 7.857 -0.403 RESID 231 (N): N 119.400 119.400 119.876 -0.476 RESID 231 (N): C 175.300 175.300 175.925 -0.625 RESID 231 (N): CA 53.650 53.650 56.138 -2.488 RESID 231 (N): CB 38.940 38.940 37.999 0.941 RESID 231 (N): H 8.211 8.211 8.013 0.198 RESID 232 (A): N 124.500 124.500 119.532 4.968 RESID 232 (A): C 178.100 178.100 178.072 0.028 RESID 232 (A): CA 53.110 53.110 51.744 1.366 RESID 232 (A): CB 19.340 19.340 18.025 1.315 RESID 232 (A): H 8.103 8.103 7.971 0.132 RESID 233 (S): N 115.200 115.200 115.182 0.018 RESID 233 (S): C 175.100 175.100 175.566 -0.466 RESID 233 (S): CA 59.280 59.280 60.941 -1.661 RESID 233 (S): CB 64.280 64.280 63.337 0.943 RESID 233 (S): H 8.169 8.169 8.417 -0.248 RESID 234 (Q): N 122.100 122.100 120.637 1.463 RESID 234 (Q): C 176.400 176.400 175.651 0.749 RESID 234 (Q): CA 56.240 56.240 56.053 0.187 RESID 234 (Q): CB 29.490 29.490 30.852 -1.362 RESID 234 (Q): H 8.230 8.230 7.766 0.464 RESID 235 (S): N 117.100 117.100 118.157 -1.057 RESID 235 (S): C 174.900 174.900 174.666 0.234 RESID 235 (S): CA 58.910 58.910 58.893 0.017 RESID 235 (S): CB 64.510 64.510 62.863 1.647 RESID 235 (S): H 8.229 8.229 8.440 -0.211 RESID 236 (Q): N 122.300 122.300 127.121 -4.821 RESID 236 (Q): C 176.700 176.700 175.449 1.251 RESID 236 (Q): CA 56.610 56.610 55.507 1.103 RESID 236 (Q): CB 29.280 29.280 27.611 1.669 RESID 236 (Q): H 8.372 8.372 8.835 -0.463 RESID 237 (G): N 110.400 110.400 109.037 1.363 RESID 237 (G): C 174.100 174.100 172.960 1.140 RESID 237 (G): CA 45.720 45.720 45.465 0.255 RESID 237 (G): H 8.381 8.381 7.586 0.795 RESID 238 (K): N 120.500 120.500 121.438 -0.938 RESID 238 (K): C 176.600 176.600 175.482 1.118 RESID 238 (K): CA 56.490 56.490 56.039 0.451 RESID 238 (K): CB 33.320 33.320 32.776 0.544 RESID 238 (K): H 7.968 7.968 8.359 -0.391 RESID 239 (R): N 120.900 120.900 125.011 -4.111 RESID 239 (R): CA 56.130 56.130 55.951 0.179 RESID 239 (R): CB 31.560 31.560 30.912 0.648 RESID 239 (R): H 8.159 8.159 8.505 -0.346 RESID 240 (H): C 174.800 174.800 176.504 -1.704 RESID 240 (H): CA 55.740 55.740 58.660 -2.920 RESID 240 (H): CB 29.760 29.760 30.075 -0.315 RESID 241 (D): N 119.800 119.800 119.236 0.564 RESID 241 (D): C 174.700 174.700 176.269 -1.569 RESID 241 (D): CA 55.500 55.500 55.976 -0.476 RESID 241 (D): CB 40.550 40.550 41.219 -0.669 RESID 241 (D): H 9.052 9.052 8.389 0.663 RESID 242 (I): N 115.200 115.200 114.893 0.307 RESID 242 (I): C 175.600 175.600 174.432 1.168 RESID 242 (I): CA 59.090 59.090 59.059 0.031 RESID 242 (I): CB 43.670 43.670 40.978 2.692 RESID 242 (I): H 7.087 7.087 7.400 -0.313 RESID 243 (I): N 125.100 125.100 126.229 -1.129 RESID 243 (I): C 175.300 175.300 174.264 1.036 RESID 243 (I): CA 60.340 60.340 60.630 -0.290 RESID 243 (I): CB 41.290 41.290 38.403 2.887 RESID 243 (I): H 8.746 8.746 8.490 0.256 RESID 244 (Q): N 128.400 128.400 127.536 0.864 RESID 244 (Q): C 175.300 175.300 174.254 1.046 RESID 244 (Q): CA 56.460 56.460 54.924 1.536 RESID 244 (Q): CB 29.800 29.800 29.788 0.012 RESID 244 (Q): H 8.768 8.768 8.603 0.165 RESID 245 (L): N 125.500 125.500 123.461 2.039 RESID 245 (L): C 176.200 176.200 176.624 -0.424 RESID 245 (L): CA 53.790 53.790 53.105 0.685 RESID 245 (L): CB 45.100 45.100 44.871 0.229 RESID 245 (L): H 8.640 8.640 8.345 0.295 RESID 246 (G): N 109.700 109.700 105.071 4.629 RESID 246 (G): C 174.200 174.200 174.330 -0.130 RESID 246 (G): CA 44.590 44.590 45.047 -0.457 RESID 246 (G): H 8.424 8.424 8.448 -0.024 RESID 247 (G): N 108.500 108.500 108.655 -0.155 RESID 247 (G): C 176.800 176.800 174.977 1.823 RESID 247 (G): CA 47.500 47.500 44.345 3.155 RESID 247 (G): H 8.666 8.666 7.744 0.922 RESID 248 (E): N 123.700 123.700 121.197 2.503 RESID 248 (E): C 177.300 177.300 176.514 0.786 RESID 248 (E): CA 58.560 58.560 57.515 1.045 RESID 248 (E): CB 29.330 29.330 29.164 0.166 RESID 248 (E): H 9.265 9.265 8.818 0.447 RESID 249 (N): N 116.700 116.700 116.624 0.076 RESID 249 (N): C 175.500 175.500 176.026 -0.526 RESID 249 (N): CA 53.490 53.490 53.595 -0.105 RESID 249 (N): CB 39.390 39.390 38.811 0.579 RESID 249 (N): H 7.963 7.963 7.755 0.208 RESID 250 (L): N 121.100 121.100 119.914 1.186 RESID 250 (L): C 177.100 177.100 178.100 -1.000 RESID 250 (L): CA 58.810 58.810 57.040 1.770 RESID 250 (L): CB 42.220 42.220 41.461 0.759 RESID 250 (L): H 7.104 7.104 7.803 -0.699 RESID 251 (A): N 117.400 117.400 122.399 -4.999 RESID 251 (A): C 179.500 179.500 178.169 1.331 RESID 251 (A): CA 55.340 55.340 54.655 0.685 RESID 251 (A): CB 17.960 17.960 18.386 -0.426 RESID 251 (A): H 8.141 8.141 8.312 -0.171 RESID 252 (A): N 117.400 117.400 118.594 -1.194 RESID 252 (A): C 179.100 179.100 178.329 0.771 RESID 252 (A): CA 53.990 53.990 52.394 1.596 RESID 252 (A): CB 18.970 18.970 18.956 0.014 RESID 252 (A): H 7.375 7.375 8.409 -1.034 RESID 253 (G): N 100.600 100.600 107.907 -7.307 RESID 253 (G): C 172.700 172.700 174.798 -2.098 RESID 253 (G): CA 45.380 45.380 45.028 0.352 RESID 253 (G): H 7.589 7.589 7.548 0.041 RESID 254 (L): N 124.800 124.800 122.828 1.972 RESID 254 (L): C 175.300 175.300 177.582 -2.282 RESID 254 (L): CA 53.020 53.020 54.870 -1.849 RESID 254 (L): CB 39.090 39.090 42.109 -3.019 RESID 254 (L): H 7.202 7.202 7.791 -0.589 RESID 255 (N): N 113.800 113.800 121.484 -7.684 RESID 255 (N): C 176.600 176.600 176.255 0.345 RESID 255 (N): CA 53.420 53.420 53.975 -0.555 RESID 255 (N): CB 37.600 37.600 38.824 -1.224 RESID 255 (N): H 7.701 7.701 8.841 -1.140 RESID 256 (G): N 109.100 109.100 106.631 2.469 RESID 256 (G): C 172.200 172.200 174.573 -2.373 RESID 256 (G): CA 45.790 45.790 45.333 0.457 RESID 256 (G): H 7.856 7.856 8.552 -0.696 RESID 257 (E): N 120.100 120.100 118.818 1.282 RESID 257 (E): C 176.900 176.900 175.581 1.319 RESID 257 (E): CA 57.880 57.880 56.611 1.269 RESID 257 (E): CB 29.760 29.760 30.584 -0.824 RESID 257 (E): H 8.443 8.443 8.636 -0.193 RESID 258 (S): N 107.500 107.500 113.728 -6.228 RESID 258 (S): C 172.500 172.500 172.413 0.087 RESID 258 (S): CA 58.010 58.010 58.547 -0.537 RESID 258 (S): CB 66.360 66.360 63.776 2.583 RESID 258 (S): H 7.176 7.176 8.020 -0.844 RESID 259 (L): N 124.900 124.900 127.589 -2.689 RESID 259 (L): C 173.900 173.900 176.473 -2.573 RESID 259 (L): CA 53.630 53.630 54.341 -0.711 RESID 259 (L): CB 46.240 46.240 42.391 3.849 RESID 259 (L): H 8.969 8.969 8.038 0.931 RESID 260 (F): N 123.700 123.700 123.014 0.686 RESID 260 (F): C 174.200 174.200 176.026 -1.826 RESID 260 (F): CA 56.460 56.460 54.905 1.555 RESID 260 (F): CB 41.560 41.560 40.502 1.058 RESID 260 (F): H 9.295 9.295 8.159 1.136 RESID 261 (L): N 123.900 123.900 120.226 3.674 RESID 261 (L): C 177.600 177.600 177.077 0.523 RESID 261 (L): CA 54.010 54.010 53.198 0.812 RESID 261 (L): CB 41.470 41.470 45.483 -4.013 RESID 261 (L): H 9.034 9.034 8.180 0.854 RESID 262 (F): N 123.800 123.800 122.445 1.355 RESID 262 (F): C 175.500 175.500 175.663 -0.163 RESID 262 (F): CA 58.850 58.850 56.854 1.996 RESID 262 (F): CB 39.930 39.930 38.485 1.445 RESID 262 (F): H 9.338 9.338 9.072 0.266 RESID 263 (A): N 121.900 121.900 124.085 -2.185 RESID 263 (A): C 175.300 175.300 177.021 -1.721 RESID 263 (A): CA 53.630 53.630 52.674 0.956 RESID 263 (A): CB 19.700 19.700 16.799 2.901 RESID 263 (A): H 8.902 8.902 8.258 0.644 RESID 264 (G): N 104.500 104.500 111.521 -7.021 RESID 264 (G): C 171.100 171.100 172.734 -1.634 RESID 264 (G): CA 45.540 45.540 45.053 0.487 RESID 264 (G): H 6.746 6.746 7.860 -1.114 RESID 265 (D): N 122.300 122.300 122.724 -0.424 RESID 265 (D): C 177.300 177.300 177.260 0.040 RESID 265 (D): CA 51.660 51.660 52.769 -1.109 RESID 265 (D): CB 42.840 42.840 42.258 0.582 RESID 265 (D): H 9.052 9.052 8.130 0.922 RESID 266 (Q): N 118.400 118.400 119.635 -1.235 RESID 266 (Q): C 177.600 177.600 177.456 0.144 RESID 266 (Q): CA 58.620 58.620 59.070 -0.450 RESID 266 (Q): CB 28.490 28.490 28.647 -0.157 RESID 266 (Q): H 8.277 8.277 8.605 -0.328 RESID 267 (K): N 117.700 117.700 118.802 -1.102 RESID 267 (K): C 180.400 180.400 178.092 2.308 RESID 267 (K): CA 59.390 59.390 59.563 -0.173 RESID 267 (K): CB 31.440 31.440 31.786 -0.346 RESID 267 (K): H 7.879 7.879 7.923 -0.044 RESID 268 (D): N 121.600 121.600 119.644 1.956 RESID 268 (D): C 177.400 177.400 178.339 -0.939 RESID 268 (D): CA 57.980 57.980 56.981 0.999 RESID 268 (D): CB 41.550 41.550 40.254 1.296 RESID 268 (D): H 7.640 7.640 8.139 -0.499 RESID 269 (A): N 121.700 121.700 121.512 0.188 RESID 269 (A): C 179.000 179.000 178.419 0.581 RESID 269 (A): CA 55.640 55.640 54.921 0.719 RESID 269 (A): CB 17.490 17.490 18.193 -0.703 RESID 269 (A): H 7.370 7.370 7.621 -0.251 RESID 270 (D): N 118.200 118.200 118.416 -0.216 RESID 270 (D): C 179.300 179.300 176.821 2.479 RESID 270 (D): CA 57.570 57.570 56.383 1.188 RESID 270 (D): CB 39.860 39.860 40.283 -0.423 RESID 270 (D): H 8.735 8.735 7.907 0.828 RESID 271 (A): N 122.900 122.900 119.965 2.935 RESID 271 (A): C 180.800 180.800 179.440 1.360 RESID 271 (A): CA 55.040 55.040 53.636 1.404 RESID 271 (A): CB 18.300 18.300 19.446 -1.146 RESID 271 (A): H 7.579 7.579 7.236 0.343 RESID 272 (I): N 0.000 0.000 120.471 -120.471 RESID 272 (I): C 178.300 178.300 176.962 1.338 RESID 272 (I): CA 63.880 63.880 64.653 -0.773 RESID 272 (I): CB 35.710 35.710 38.132 -2.422 RESID 272 (I): H 7.340 7.340 8.409 -1.069 RESID 273 (Y): N 116.300 116.300 116.968 -0.668 RESID 273 (Y): C 177.000 177.000 176.781 0.219 RESID 273 (Y): CA 61.100 61.100 58.274 2.826 RESID 273 (Y): CB 37.770 37.770 35.822 1.948 RESID 273 (Y): H 7.509 7.509 7.299 0.210 RESID 274 (A): N 118.600 118.600 121.878 -3.278 RESID 274 (A): C 177.200 177.200 177.182 0.018 RESID 274 (A): CA 52.030 52.030 53.013 -0.983 RESID 274 (A): CB 19.580 19.580 19.409 0.171 RESID 274 (A): H 7.495 7.495 7.821 -0.326 RESID 275 (N): N 119.900 119.900 118.240 1.660 RESID 275 (N): C 175.700 175.700 174.012 1.688 RESID 275 (N): CA 51.030 51.030 51.402 -0.372 RESID 275 (N): CB 38.590 38.590 36.987 1.603 RESID 275 (N): H 7.200 7.200 7.962 -0.762 RESID 276 (P): C 178.900 178.900 178.500 0.400 RESID 276 (P): CA 65.190 65.190 65.483 -0.293 RESID 276 (P): CB 32.440 32.440 32.040 0.400 RESID 277 (L): N 116.700 116.700 117.402 -0.702 RESID 277 (L): C 178.000 178.000 178.881 -0.881 RESID 277 (L): CA 56.630 56.630 57.543 -0.913 RESID 277 (L): CB 41.720 41.720 41.502 0.218 RESID 277 (L): H 7.777 7.777 7.927 -0.150 RESID 278 (L): N 115.100 115.100 116.552 -1.452 RESID 278 (L): C 176.600 176.600 177.851 -1.251 RESID 278 (L): CA 53.200 53.200 54.909 -1.709 RESID 278 (L): CB 40.960 40.960 41.310 -0.350 RESID 278 (L): H 7.485 7.485 7.679 -0.194 RESID 279 (A): N 118.600 118.600 123.089 -4.489 RESID 279 (A): C 177.700 177.700 177.805 -0.105 RESID 279 (A): CA 55.090 55.090 54.363 0.727 RESID 279 (A): CB 19.710 19.710 18.610 1.100 RESID 279 (A): H 6.665 6.665 7.890 -1.225 RESID 280 (H): N 111.600 111.600 115.314 -3.714 RESID 280 (H): C 175.500 175.500 175.206 0.294 RESID 280 (H): CA 55.360 55.360 56.239 -0.879 RESID 280 (H): CB 29.540 29.540 28.639 0.901 RESID 280 (H): H 8.337 8.337 8.191 0.146 RESID 281 (L): N 124.100 124.100 122.529 1.571 RESID 281 (L): C 176.300 176.300 175.869 0.431 RESID 281 (L): CA 53.330 53.330 52.989 0.341 RESID 281 (L): CB 40.490 40.490 41.939 -1.449 RESID 281 (L): H 7.289 7.289 7.444 -0.155 RESID 282 (P): C 178.200 178.200 178.380 -0.180 RESID 282 (P): CA 66.050 66.050 65.676 0.374 RESID 282 (P): CB 32.150 32.150 31.722 0.428 RESID 283 (A): N 116.000 116.000 119.229 -3.229 RESID 283 (A): C 179.000 179.000 179.846 -0.846 RESID 283 (A): CA 55.630 55.630 55.189 0.441 RESID 283 (A): CB 19.490 19.490 18.183 1.307 RESID 283 (A): H 7.969 7.969 8.421 -0.452 RESID 284 (V): N 115.200 115.200 118.506 -3.306 RESID 284 (V): C 180.000 180.000 178.924 1.076 RESID 284 (V): CA 65.640 65.640 65.885 -0.245 RESID 284 (V): CB 32.560 32.560 30.820 1.740 RESID 284 (V): H 6.557 6.557 7.679 -1.122 RESID 285 (Q): N 121.200 121.200 120.446 0.754 RESID 285 (Q): C 178.000 178.000 177.651 0.349 RESID 285 (Q): CA 59.500 59.500 58.801 0.699 RESID 285 (Q): CB 29.080 29.080 28.604 0.476 RESID 285 (Q): H 8.581 8.581 7.823 0.758 RESID 286 (N): N 112.600 112.600 113.978 -1.378 RESID 286 (N): C 174.500 174.500 173.851 0.649 RESID 286 (N): CA 53.160 53.160 52.714 0.446 RESID 286 (N): CB 38.390 38.390 38.738 -0.348 RESID 286 (N): H 8.117 8.117 8.027 0.090 RESID 287 (K): N 118.500 118.500 115.961 2.539 RESID 287 (K): C 176.100 176.100 176.225 -0.125 RESID 287 (K): CA 57.540 57.540 57.307 0.233 RESID 287 (K): CB 28.570 28.570 29.538 -0.968 RESID 287 (K): H 7.724 7.724 7.696 0.028 RESID 288 (Q): N 119.700 119.700 117.136 2.564 RESID 288 (Q): C 173.700 173.700 174.073 -0.373 RESID 288 (Q): CA 52.970 52.970 54.834 -1.863 RESID 288 (Q): CB 28.640 28.640 29.006 -0.366 RESID 288 (Q): H 8.895 8.895 8.420 0.475 RESID 289 (V): N 119.200 119.200 118.890 0.310 RESID 289 (V): C 175.100 175.100 175.103 -0.003 RESID 289 (V): CA 61.600 61.600 60.955 0.645 RESID 289 (V): CB 32.610 32.610 34.247 -1.637 RESID 289 (V): H 6.246 6.246 6.916 -0.670 RESID 290 (Y): N 125.700 125.700 125.270 0.430 RESID 290 (Y): C 174.100 174.100 174.211 -0.111 RESID 290 (Y): CA 56.830 56.830 56.822 0.008 RESID 290 (Y): CB 40.950 40.950 42.721 -1.771 RESID 290 (Y): H 8.682 8.682 9.121 -0.439 RESID 291 (A): N 126.900 126.900 122.059 4.841 RESID 291 (A): C 178.300 178.300 176.782 1.518 RESID 291 (A): CA 51.560 51.560 50.367 1.193 RESID 291 (A): CB 19.670 19.670 21.244 -1.574 RESID 291 (A): H 9.057 9.057 8.659 0.398 RESID 292 (L): N 120.800 120.800 119.811 0.989 RESID 292 (L): C 175.500 175.500 176.236 -0.736 RESID 292 (L): CA 54.880 54.880 54.248 0.632 RESID 292 (L): CB 42.490 42.490 42.272 0.218 RESID 292 (L): H 8.342 8.342 8.921 -0.579 RESID 293 (G): N 107.500 107.500 103.833 3.667 RESID 293 (G): C 177.600 177.600 174.112 3.488 RESID 293 (G): CA 45.110 45.110 44.425 0.685 RESID 293 (G): H 7.973 7.973 7.381 0.592 RESID 294 (T): N 117.800 117.800 116.792 1.008 RESID 294 (T): C 176.400 176.400 176.032 0.368 RESID 294 (T): CA 65.260 65.260 65.234 0.026 RESID 294 (T): CB 68.310 68.310 69.157 -0.847 RESID 294 (T): H 8.808 8.808 8.576 0.232 RESID 295 (E): N 122.100 122.100 120.617 1.483 RESID 295 (E): C 177.700 177.700 176.764 0.936 RESID 295 (E): CA 58.540 58.540 58.363 0.177 RESID 295 (E): CB 29.010 29.010 28.807 0.203 RESID 295 (E): H 10.380 10.380 8.788 1.592 RESID 296 (T): N 103.000 103.000 108.489 -5.489 RESID 296 (T): C 173.600 173.600 174.316 -0.716 RESID 296 (T): CA 62.320 62.320 61.457 0.863 RESID 296 (T): CB 69.170 69.170 67.847 1.323 RESID 296 (T): H 7.062 7.062 7.994 -0.932 RESID 297 (F): N 121.500 121.500 122.994 -1.494 RESID 297 (F): C 174.500 174.500 175.879 -1.379 RESID 297 (F): CA 61.700 61.700 60.996 0.704 RESID 297 (F): CB 39.640 39.640 39.751 -0.111 RESID 297 (F): H 8.108 8.108 7.632 0.476 RESID 298 (R): N 116.800 116.800 119.788 -2.988 RESID 298 (R): C 176.000 176.000 175.122 0.878 RESID 298 (R): CA 54.160 54.160 55.810 -1.650 RESID 298 (R): CB 32.460 32.460 31.111 1.349 RESID 298 (R): H 7.552 7.552 8.249 -0.697 RESID 299 (L): N 125.500 125.500 126.479 -0.979 RESID 299 (L): C 174.800 174.800 174.624 0.176 RESID 299 (L): CA 54.300 54.300 53.987 0.313 RESID 299 (L): CB 41.670 41.670 43.873 -2.204 RESID 299 (L): H 8.903 8.903 8.418 0.485 RESID 300 (D): N 124.600 124.600 124.209 0.391 RESID 300 (D): C 173.400 173.400 175.616 -2.216 RESID 300 (D): CA 51.880 51.880 53.103 -1.224 RESID 300 (D): CB 43.230 43.230 42.544 0.686 RESID 300 (D): H 7.735 7.735 8.735 -1.000 RESID 301 (Y): N 118.100 118.100 121.379 -3.279 RESID 301 (Y): C 175.300 175.300 176.142 -0.842 RESID 301 (Y): CA 61.650 61.650 63.301 -1.651 RESID 301 (Y): CB 38.740 38.740 38.695 0.045 RESID 301 (Y): H 7.943 7.943 8.999 -1.056 RESID 302 (Y): N 112.300 112.300 115.409 -3.109 RESID 302 (Y): C 180.800 180.800 177.616 3.184 RESID 302 (Y): CA 61.970 61.970 60.902 1.068 RESID 302 (Y): CB 37.990 37.990 37.992 -0.002 RESID 302 (Y): H 7.309 7.309 8.121 -0.812 RESID 303 (S): N 119.100 119.100 115.786 3.314 RESID 303 (S): C 176.300 176.300 176.507 -0.207 RESID 303 (S): CA 60.690 60.690 61.528 -0.838 RESID 303 (S): CB 63.180 63.180 62.696 0.484 RESID 303 (S): H 9.411 9.411 9.421 -0.010 RESID 304 (A): N 126.900 126.900 125.553 1.347 RESID 304 (A): C 180.400 180.400 179.360 1.040 RESID 304 (A): CA 56.000 56.000 54.881 1.119 RESID 304 (A): CB 18.040 18.040 17.933 0.107 RESID 304 (A): H 8.860 8.860 7.826 1.034 RESID 305 (M): N 116.600 116.600 118.002 -1.402 RESID 305 (M): C 179.300 179.300 178.879 0.421 RESID 305 (M): CA 57.880 57.880 59.768 -1.888 RESID 305 (M): CB 31.350 31.350 32.383 -1.033 RESID 305 (M): H 7.346 7.346 7.508 -0.162 RESID 306 (Q): N 119.300 119.300 118.797 0.503 RESID 306 (Q): C 179.000 179.000 178.839 0.161 RESID 306 (Q): CA 59.410 59.410 58.884 0.526 RESID 306 (Q): CB 28.450 28.450 28.817 -0.367 RESID 306 (Q): H 7.633 7.633 7.797 -0.164 RESID 308 (L): C 178.700 178.700 178.481 0.219 RESID 308 (L): CA 58.690 58.690 58.420 0.270 RESID 308 (L): CB 41.790 41.790 41.387 0.403 RESID 309 (D): N 119.100 119.100 119.086 0.014 RESID 309 (D): C 179.600 179.600 178.883 0.717 RESID 309 (D): CA 57.830 57.830 57.558 0.272 RESID 309 (D): CB 40.820 40.820 40.330 0.490 RESID 309 (D): H 7.984 7.984 8.044 -0.060 RESID 310 (R): N 121.700 121.700 120.619 1.081 RESID 310 (R): C 178.900 178.900 178.724 0.176 RESID 310 (R): CA 58.590 58.590 59.198 -0.608 RESID 310 (R): CB 29.820 29.820 30.149 -0.329 RESID 310 (R): H 8.463 8.463 7.606 0.857 RESID 311 (L): N 119.200 119.200 119.938 -0.738 RESID 311 (L): C 178.800 178.800 178.731 0.069 RESID 311 (L): CA 58.380 58.380 58.119 0.261 RESID 311 (L): CB 42.340 42.340 41.843 0.497 RESID 311 (L): H 8.489 8.489 8.323 0.166 RESID 312 (K): N 116.500 116.500 118.743 -2.243 RESID 312 (K): C 178.000 178.000 178.411 -0.411 RESID 312 (K): CA 59.250 59.250 59.179 0.071 RESID 312 (K): CB 32.440 32.440 32.498 -0.058 RESID 312 (K): H 7.955 7.955 8.208 -0.253 RESID 313 (A): N 119.500 119.500 120.763 -1.263 RESID 313 (A): C 180.000 180.000 178.678 1.322 RESID 313 (A): CA 53.920 53.920 53.300 0.620 RESID 313 (A): CB 18.800 18.800 19.248 -0.448 RESID 313 (A): H 7.427 7.427 7.759 -0.332 RESID 314 (L): N 119.500 119.500 119.160 0.340 RESID 314 (L): C 177.400 177.400 176.449 0.951 RESID 314 (L): CA 56.770 56.770 57.237 -0.467 RESID 314 (L): CB 43.730 43.730 42.351 1.379 RESID 314 (L): H 7.431 7.431 8.137 -0.706 N HA C CA CB H RESID 26 (W): -3.478 ----- -0.868 0.390 3.276 0.117 RESID 27 (P): ----- ----- 0.001 -0.299 4.937 ----- RESID 28 (R): -3.852 ----- -1.394 0.716 0.756 0.064 RESID 29 (Q): -0.801 ----- 0.587 -1.256 1.430 -0.082 RESID 30 (I): -1.795 ----- 0.631 -0.919 -0.530 1.065 RESID 31 (T): 3.220 ----- 0.745 -1.302 1.047 0.592 RESID 32 (D): 5.698 ----- 1.395 0.825 -0.464 1.397 RESID 33 (S): -4.470 ----- -0.558 0.356 -0.375 -0.230 RESID 34 (R): -2.375 ----- -0.639 -3.653 0.191 0.380 RESID 35 (G): 5.133 ----- -2.255 -0.514 ----- -0.766 RESID 36 (T): 0.434 ----- 0.943 0.090 -0.189 0.535 RESID 37 (H): 0.466 ----- 0.736 -1.306 -2.020 0.362 RESID 38 (T): 4.073 ----- 1.348 2.097 -1.229 1.530 RESID 39 (L): 7.130 ----- 0.084 0.513 -0.866 0.443 RESID 40 (E): -1.652 ----- -0.321 0.307 0.482 0.133 RESID 41 (S): -1.879 ----- -1.496 -0.898 0.607 -0.159 RESID 42 (Q): 3.301 ----- -0.157 -2.022 0.549 -1.267 RESID 43 (P): ----- ----- -0.367 0.780 0.079 ----- RESID 44 (Q): 2.647 ----- -0.626 -1.526 2.907 2.619 RESID 45 (R): 8.241 ----- 0.489 0.080 0.031 2.442 RESID 47 (V): ----- ----- 0.250 -0.253 -0.293 ----- RESID 48 (S): -1.885 ----- 1.697 -2.059 -1.635 -0.751 RESID 49 (T): 4.268 ----- -3.128 0.847 -0.386 -0.331 RESID 50 (S): -0.537 ----- -0.679 -2.109 -0.266 -0.084 RESID 51 (V): 5.644 ----- -2.801 -0.208 -0.184 0.137 RESID 52 (T): 0.377 ----- 3.319 0.303 0.439 -0.150 RESID 53 (L): 1.453 ----- 0.521 -0.746 0.862 -0.492 RESID 54 (T): 1.771 ----- -1.734 -0.652 ----- -0.086 RESID 55 (G): -3.690 ----- -0.189 0.306 ----- -1.287 RESID 56 (S): -0.781 ----- -1.149 1.935 1.970 -1.262 RESID 58 (L): ----- ----- 1.789 -0.273 -0.113 ----- RESID 59 (A): -0.807 ----- -0.313 0.736 -0.325 -0.288 RESID 60 (I): ----- ----- -1.544 0.149 0.462 ----- RESID 61 (D): -2.388 ----- 0.240 0.046 -0.032 0.001 RESID 62 (A): -3.111 ----- 2.690 -0.846 -1.634 0.092 RESID 63 (P): ----- ----- -2.109 0.611 -4.706 ----- RESID 64 (V): 3.855 ----- -0.918 -1.448 -0.791 0.434 RESID 65 (I): -4.345 ----- 1.545 -3.006 1.271 0.236 RESID 66 (A): 4.263 ----- -0.095 0.646 1.463 -0.420 RESID 67 (S): -5.106 ----- 2.252 -2.085 -2.417 0.237 RESID 68 (G): 5.616 ----- -1.608 2.060 ----- -1.049 RESID 69 (A): -3.645 ----- 2.719 -1.155 2.066 -0.828 RESID 70 (T): 5.712 ----- -2.700 -3.147 1.014 1.090 RESID 71 (T): -5.165 ----- -0.415 0.046 1.547 -0.802 RESID 72 (P): ----- ----- 0.981 -0.205 0.734 ----- RESID 73 (N): -4.556 ----- -1.628 0.737 -1.466 -0.695 RESID 74 (N): ----- ----- -1.227 4.976 0.343 ----- RESID 75 (R): -6.413 ----- -0.155 1.062 1.080 -0.283 RESID 76 (V): -10.136 ----- 0.045 -2.938 2.041 -0.820 RESID 77 (A): 5.792 ----- -1.042 -1.017 5.135 0.711 RESID 78 (D): 1.782 ----- 2.208 -0.938 0.362 0.431 RESID 79 (D): 0.844 ----- 0.280 1.077 0.879 -0.166 RESID 80 (Q): -4.348 ----- -1.188 -1.526 2.404 -0.173 RESID 81 (G): -0.012 ----- 0.847 0.944 ----- -0.648 RESID 82 (F): 0.601 ----- -0.439 -4.263 -2.616 0.295 RESID 83 (L): ----- ----- 0.960 0.356 -3.486 ----- RESID 84 (R): 0.317 ----- 0.764 3.468 1.647 -0.686 RESID 85 (Q): -2.585 ----- -2.678 0.199 -3.167 1.865 RESID 86 (W): -6.494 ----- -1.779 -5.068 -2.074 -1.941 RESID 87 (S): 3.719 ----- 1.442 0.629 ----- -1.263 RESID 88 (K): -3.930 ----- 0.183 0.475 -0.091 0.985 RESID 89 (V): 6.333 ----- 0.807 0.081 0.501 -0.671 RESID 90 (A): -0.387 ----- 1.092 1.384 1.436 0.683 RESID 91 (K): -0.432 ----- 3.022 1.000 0.004 -0.239 RESID 92 (E): 5.081 ----- 1.503 2.279 -0.664 0.482 RESID 93 (R): -3.128 ----- 0.326 0.789 -1.526 -0.274 RESID 94 (K): 1.009 ----- 0.564 -0.659 -1.498 -0.684 RESID 95 (L): -1.820 ----- 0.370 0.906 1.176 0.058 RESID 96 (Q): 0.666 ----- -1.199 0.668 0.282 -0.875 RESID 97 (R): 6.477 ----- 0.580 -1.048 1.613 0.500 RESID 98 (L): 3.524 ----- -0.403 2.438 3.316 -0.465 RESID 99 (Y): -2.037 ----- -1.385 -0.830 -0.988 -1.360 RESID 100 (I): -6.215 ----- -0.352 -1.792 3.587 0.101 RESID 101 (G): 0.864 ----- -0.711 2.209 ----- -0.269 RESID 102 (E): 10.910 ----- -0.790 0.461 2.029 0.283 RESID 103 (P): ----- ----- -0.834 -1.384 -0.090 ----- RESID 104 (S): -5.220 ----- 0.152 -3.161 -0.081 -2.559 RESID 105 (A): 0.252 ----- 0.343 0.742 -0.896 0.330 RESID 106 (E): 0.372 ----- 0.442 1.246 -0.475 0.142 RESID 107 (A): -0.471 ----- 0.270 -0.337 0.771 -0.141 RESID 108 (V): -2.285 ----- -0.811 1.178 0.111 -0.475 RESID 109 (A): -1.647 ----- 1.837 0.546 -0.115 0.139 RESID 110 (A): -0.733 ----- 0.252 -0.248 -0.030 -0.308 RESID 111 (Q): -1.033 ----- -1.047 0.897 -0.217 -0.291 RESID 112 (M): -6.166 ----- 0.054 0.391 -1.440 -0.041 RESID 113 (P): ----- ----- 0.410 0.258 0.326 ----- RESID 114 (D): -2.126 ----- -0.036 -2.100 -1.911 0.635 RESID 115 (L): ----- ----- 0.582 -1.315 ----- ----- RESID 116 (I): -2.648 ----- ----- 0.185 ----- 1.241 RESID 118 (I): ----- ----- -1.032 0.462 1.197 ----- RESID 119 (S): 0.043 ----- 0.630 -0.613 0.719 1.005 RESID 120 (A): 1.290 ----- -0.533 -0.053 1.494 -0.540 RESID 121 (T): -3.685 ----- -0.384 -2.466 1.685 -0.368 RESID 122 (G): -7.224 ----- 3.022 -0.787 ----- 0.118 RESID 123 (G): ----- ----- -0.224 1.029 ----- ----- RESID 124 (D): -2.252 ----- 1.170 -0.573 0.052 0.892 RESID 125 (S): -3.990 ----- 1.736 0.079 0.117 -1.114 RESID 126 (A): 4.816 ----- -1.965 -2.365 -2.231 0.203 RESID 127 (L): -0.031 ----- 0.563 1.463 1.225 -0.805 RESID 128 (A): 3.497 ----- 0.795 0.858 -0.495 1.298 RESID 129 (L): 0.671 ----- -0.860 -1.298 -0.412 0.352 RESID 130 (Y): -0.857 ----- 0.350 1.507 1.016 -1.087 RESID 131 (D): 1.243 ----- -0.171 0.589 0.304 0.899 RESID 132 (Q): -1.142 ----- 0.210 0.303 0.558 -0.201 RESID 133 (L): -0.455 ----- -0.697 0.248 -0.804 -0.343 RESID 134 (S): -2.992 ----- -0.590 -0.184 0.714 -0.344 RESID 135 (T): -4.933 ----- -1.327 -2.080 0.657 -0.608 RESID 136 (I): 3.895 ----- 0.228 -0.073 0.302 0.338 RESID 137 (A): 1.880 ----- -1.687 -0.104 -0.160 -0.430 RESID 138 (P): ----- ----- -1.454 1.055 0.109 ----- RESID 139 (T): 2.240 ----- -0.009 -1.486 1.835 -0.156 RESID 140 (L): ----- ----- 0.604 -0.731 0.475 ----- RESID 141 (I): -1.865 ----- 1.018 -0.843 0.899 1.463 RESID 142 (I): 1.946 ----- 0.207 -1.898 -2.527 0.025 RESID 143 (N): 4.713 ----- 0.520 -1.940 0.103 0.726 RESID 144 (Y): -6.427 ----- 1.626 -3.871 -0.010 -0.060 RESID 145 (D): 0.854 ----- 1.789 -0.239 3.362 0.457 RESID 146 (D): 4.111 ----- -0.087 -0.399 -1.709 -1.015 RESID 147 (K): -5.732 ----- -0.274 -1.545 -1.778 -0.547 RESID 148 (S): -0.459 ----- -0.376 -0.068 0.687 0.220 RESID 149 (W): 1.861 ----- 2.064 1.324 -0.731 -0.114 RESID 150 (Q): 3.198 ----- 0.298 3.364 -1.196 1.614 RESID 151 (S): 1.314 ----- 0.483 0.594 0.617 0.007 RESID 152 (L): 2.247 ----- 0.571 0.384 0.277 0.060 RESID 153 (L): 0.551 ----- 1.041 1.439 -0.098 0.926 RESID 154 (T): 3.448 ----- 0.311 1.302 0.541 0.124 RESID 155 (Q): 3.513 ----- 1.199 1.364 0.277 0.321 RESID 156 (L): ----- ----- 1.631 0.622 -0.128 ----- RESID 157 (G): 5.764 ----- -0.561 1.784 ----- 1.220 RESID 158 (E): 4.877 ----- 0.665 1.278 0.313 0.008 RESID 160 (T): ----- ----- 2.310 -1.205 2.616 ----- RESID 161 (G): -0.239 ----- 0.449 1.236 ----- -0.882 RESID 162 (H): 4.988 ----- -2.143 -0.432 -2.994 0.673 RESID 163 (E): 1.721 ----- 2.326 1.423 -0.434 1.529 RESID 164 (K): 0.228 ----- -0.090 -0.452 0.307 0.398 RESID 165 (Q): 2.204 ----- 0.669 2.027 -0.264 -0.485 RESID 166 (A): -1.317 ----- -1.425 1.321 0.227 -0.136 RESID 167 (A): -3.029 ----- 1.890 -0.151 -0.306 -1.088 RESID 168 (E): 1.516 ----- 0.472 -0.008 0.453 0.317 RESID 170 (I): ----- ----- 0.000 1.573 1.360 ----- RESID 171 (A): -2.471 ----- 1.361 -0.343 0.144 -0.772 RESID 172 (Q): 2.586 ----- 0.620 0.717 -0.257 0.638 RESID 173 (F): -0.135 ----- -1.011 1.594 0.363 -0.305 RESID 174 (D): 0.904 ----- 1.425 0.545 -0.091 -0.261 RESID 175 (K): 1.074 ----- 1.164 -0.012 0.315 -0.056 RESID 176 (Q): 2.088 ----- 0.776 -0.482 -0.532 0.334 RESID 177 (L): 6.002 ----- -0.284 2.656 -0.162 1.201 RESID 178 (A): -1.047 ----- 1.369 0.195 0.086 -0.548 RESID 179 (A): -0.800 ----- 0.713 0.335 -0.406 0.038 RESID 180 (A): -0.015 ----- 0.098 0.741 -0.253 0.164 RESID 181 (K): 0.176 ----- -0.105 0.630 0.708 0.048 RESID 182 (E): -2.151 ----- -0.147 0.758 1.066 -0.606 RESID 183 (Q): -0.702 ----- 1.013 0.217 0.438 -0.180 RESID 184 (I): 1.949 ----- 0.959 3.253 0.344 0.291 RESID 185 (K): 4.771 ----- -0.033 -0.575 -2.905 0.832 RESID 186 (L): -1.043 ----- -0.214 2.331 0.376 -0.423 RESID 188 (P): ----- ----- -1.446 1.470 0.991 ----- RESID 189 (Q): 0.249 ----- 1.870 -2.377 0.939 -0.160 RESID 190 (P): ----- ----- -0.056 0.356 2.627 ----- RESID 191 (V): -8.945 ----- 0.333 0.213 0.343 0.715 RESID 192 (T): 7.339 ----- 0.204 3.509 0.287 0.128 RESID 193 (A): 9.887 ----- -0.017 -0.529 -0.319 1.613 RESID 194 (I): -2.042 ----- 2.904 -0.469 1.815 0.717 RESID 195 (V): -4.253 ----- 2.139 1.810 0.154 -0.156 RESID 196 (Y): 2.730 ----- 0.558 -0.417 1.067 1.010 RESID 197 (T): 1.508 ----- 0.921 0.110 -3.035 0.440 RESID 198 (A): -0.252 ----- 1.137 1.141 0.072 -0.334 RESID 199 (A): -4.868 ----- -1.006 -0.517 0.433 0.287 RESID 200 (A): -3.832 ----- -0.662 -0.774 1.318 -1.471 RESID 201 (H): 0.292 ----- -0.511 0.360 -0.431 -0.249 RESID 202 (S): -3.928 ----- 0.046 -1.061 -0.136 -0.686 RESID 203 (A): -2.941 ----- -0.387 -0.532 2.314 0.310 RESID 204 (N): 0.086 ----- -0.149 -0.545 -2.110 0.105 RESID 205 (L): 5.525 ----- 0.138 0.856 1.559 1.646 RESID 206 (W): 1.650 ----- 0.645 -0.738 -1.135 0.647 RESID 207 (T): 1.843 ----- 2.824 0.871 -1.837 -0.106 RESID 208 (P): ----- ----- -0.858 0.714 -0.218 ----- RESID 209 (E): -2.724 ----- 0.295 0.078 -0.383 -0.344 RESID 210 (S): 0.743 ----- -1.621 -1.139 2.848 0.230 RESID 211 (A): -2.108 ----- 0.756 0.087 -0.237 -0.149 RESID 212 (Q): 0.571 ----- -0.916 2.444 -0.334 0.019 RESID 213 (G): -0.163 ----- -0.909 0.696 ----- -0.239 RESID 214 (Q): -0.813 ----- 0.601 0.273 0.425 0.413 RESID 215 (M): -1.405 ----- -0.379 0.116 -0.794 -0.302 RESID 216 (L): -3.059 ----- 0.869 0.489 -1.443 -0.476 RESID 217 (E): 1.330 ----- 2.945 1.282 -0.275 0.166 RESID 218 (Q): 5.220 ----- -0.756 0.978 -0.288 0.527 RESID 219 (L): 0.775 ----- -2.257 -1.326 1.460 -0.358 RESID 220 (G): 1.901 ----- 1.783 0.063 ----- -0.396 RESID 221 (F): 0.332 ----- 1.078 1.917 -3.632 0.212 RESID 222 (T): 1.363 ----- 0.434 0.412 1.808 0.219 RESID 223 (L): 1.201 ----- 1.664 1.357 -1.150 1.058 RESID 224 (A): -1.295 ----- 1.535 1.467 -2.177 0.966 RESID 225 (K): 2.224 ----- 0.607 0.022 0.182 0.238 RESID 226 (L): -1.808 ----- -0.104 -0.537 0.472 0.114 RESID 227 (P): ----- ----- -0.269 -0.028 0.170 ----- RESID 228 (A): 0.065 ----- 1.003 0.703 0.006 -0.101 RESID 229 (G): 0.197 ----- -0.953 0.613 ----- 0.461 RESID 230 (L): -1.127 ----- -1.478 0.122 0.958 -0.403 RESID 231 (N): -0.476 ----- -0.625 -2.488 0.941 0.198 RESID 232 (A): 4.968 ----- 0.028 1.366 1.315 0.132 RESID 233 (S): 0.018 ----- -0.466 -1.661 0.943 -0.248 RESID 234 (Q): 1.463 ----- 0.749 0.187 -1.362 0.464 RESID 235 (S): -1.057 ----- 0.234 0.017 1.647 -0.211 RESID 236 (Q): -4.821 ----- 1.251 1.103 1.669 -0.463 RESID 237 (G): 1.363 ----- 1.140 0.255 ----- 0.795 RESID 238 (K): -0.938 ----- 1.118 0.451 0.544 -0.391 RESID 239 (R): -4.111 ----- ----- 0.179 0.648 -0.346 RESID 240 (H): ----- ----- -1.704 -2.920 -0.315 ----- RESID 241 (D): 0.564 ----- -1.569 -0.476 -0.669 0.663 RESID 242 (I): 0.307 ----- 1.168 0.031 2.692 -0.313 RESID 243 (I): -1.129 ----- 1.036 -0.290 2.887 0.256 RESID 244 (Q): 0.864 ----- 1.046 1.536 0.012 0.165 RESID 245 (L): 2.039 ----- -0.424 0.685 0.229 0.295 RESID 246 (G): 4.629 ----- -0.130 -0.457 ----- -0.024 RESID 247 (G): -0.155 ----- 1.823 3.155 ----- 0.922 RESID 248 (E): 2.503 ----- 0.786 1.045 0.166 0.447 RESID 249 (N): 0.076 ----- -0.526 -0.105 0.579 0.208 RESID 250 (L): 1.186 ----- -1.000 1.770 0.759 -0.699 RESID 251 (A): -4.999 ----- 1.331 0.685 -0.426 -0.171 RESID 252 (A): -1.194 ----- 0.771 1.596 0.014 -1.034 RESID 253 (G): -7.307 ----- -2.098 0.352 ----- 0.041 RESID 254 (L): 1.972 ----- -2.282 -1.849 -3.019 -0.589 RESID 255 (N): -7.684 ----- 0.345 -0.555 -1.224 -1.140 RESID 256 (G): 2.469 ----- -2.373 0.457 ----- -0.696 RESID 257 (E): 1.282 ----- 1.319 1.269 -0.824 -0.193 RESID 258 (S): -6.228 ----- 0.087 -0.537 2.583 -0.844 RESID 259 (L): -2.689 ----- -2.573 -0.711 3.849 0.931 RESID 260 (F): 0.686 ----- -1.826 1.555 1.058 1.136 RESID 261 (L): 3.674 ----- 0.523 0.812 -4.013 0.854 RESID 262 (F): 1.355 ----- -0.163 1.996 1.445 0.266 RESID 263 (A): -2.185 ----- -1.721 0.956 2.901 0.644 RESID 264 (G): -7.021 ----- -1.634 0.487 ----- -1.114 RESID 265 (D): -0.424 ----- 0.040 -1.109 0.582 0.922 RESID 266 (Q): -1.235 ----- 0.144 -0.450 -0.157 -0.328 RESID 267 (K): -1.102 ----- 2.308 -0.173 -0.346 -0.044 RESID 268 (D): 1.956 ----- -0.939 0.999 1.296 -0.499 RESID 269 (A): 0.188 ----- 0.581 0.719 -0.703 -0.251 RESID 270 (D): -0.216 ----- 2.479 1.188 -0.423 0.828 RESID 271 (A): 2.935 ----- 1.360 1.404 -1.146 0.343 RESID 272 (I): -120.471 ----- 1.338 -0.773 -2.422 -1.069 RESID 273 (Y): -0.668 ----- 0.219 2.826 1.948 0.210 RESID 274 (A): -3.278 ----- 0.018 -0.983 0.171 -0.326 RESID 275 (N): 1.660 ----- 1.688 -0.372 1.603 -0.762 RESID 276 (P): ----- ----- 0.400 -0.293 0.400 ----- RESID 277 (L): -0.702 ----- -0.881 -0.913 0.218 -0.150 RESID 278 (L): -1.452 ----- -1.251 -1.709 -0.350 -0.194 RESID 279 (A): -4.489 ----- -0.105 0.727 1.100 -1.225 RESID 280 (H): -3.714 ----- 0.294 -0.879 0.901 0.146 RESID 281 (L): 1.571 ----- 0.431 0.341 -1.449 -0.155 RESID 282 (P): ----- ----- -0.180 0.374 0.428 ----- RESID 283 (A): -3.229 ----- -0.846 0.441 1.307 -0.452 RESID 284 (V): -3.306 ----- 1.076 -0.245 1.740 -1.122 RESID 285 (Q): 0.754 ----- 0.349 0.699 0.476 0.758 RESID 286 (N): -1.378 ----- 0.649 0.446 -0.348 0.090 RESID 287 (K): 2.539 ----- -0.125 0.233 -0.968 0.028 RESID 288 (Q): 2.564 ----- -0.373 -1.863 -0.366 0.475 RESID 289 (V): 0.310 ----- -0.003 0.645 -1.637 -0.670 RESID 290 (Y): 0.430 ----- -0.111 0.008 -1.771 -0.439 RESID 291 (A): 4.841 ----- 1.518 1.193 -1.574 0.398 RESID 292 (L): 0.989 ----- -0.736 0.632 0.218 -0.579 RESID 293 (G): 3.667 ----- 3.488 0.685 ----- 0.592 RESID 294 (T): 1.008 ----- 0.368 0.026 -0.847 0.232 RESID 295 (E): 1.483 ----- 0.936 0.177 0.203 1.592 RESID 296 (T): -5.489 ----- -0.716 0.863 1.323 -0.932 RESID 297 (F): -1.494 ----- -1.379 0.704 -0.111 0.476 RESID 298 (R): -2.988 ----- 0.878 -1.650 1.349 -0.697 RESID 299 (L): -0.979 ----- 0.176 0.313 -2.204 0.485 RESID 300 (D): 0.391 ----- -2.216 -1.224 0.686 -1.000 RESID 301 (Y): -3.279 ----- -0.842 -1.651 0.045 -1.056 RESID 302 (Y): -3.109 ----- 3.184 1.068 -0.002 -0.812 RESID 303 (S): 3.314 ----- -0.207 -0.838 0.484 -0.010 RESID 304 (A): 1.347 ----- 1.040 1.119 0.107 1.034 RESID 305 (M): -1.402 ----- 0.421 -1.888 -1.033 -0.162 RESID 306 (Q): 0.503 ----- 0.161 0.526 -0.367 -0.164 RESID 308 (L): ----- ----- 0.219 0.270 0.403 ----- RESID 309 (D): 0.014 ----- 0.717 0.272 0.490 -0.060 RESID 310 (R): 1.081 ----- 0.176 -0.608 -0.329 0.857 RESID 311 (L): -0.738 ----- 0.069 0.261 0.497 0.166 RESID 312 (K): -2.243 ----- -0.411 0.071 -0.058 -0.253 RESID 313 (A): -1.263 ----- 1.322 0.620 -0.448 -0.332 RESID 314 (L): 0.340 ----- 0.951 -0.467 1.379 -0.706 DATA CS_STAT_INFO N RMS: 8.230 ppm Count: 256 Average Difference: 0.491 +/- 8.232 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.224 ppm Count: 281 Average Difference: -0.155 +/- 1.216 ppm DATA CS_STAT_INFO CA RMS: 1.341 ppm Count: 283 Average Difference: -0.097 +/- 1.340 ppm DATA CS_STAT_INFO CB RMS: 1.425 ppm Count: 260 Average Difference: -0.155 +/- 1.419 ppm DATA CS_STAT_INFO HN RMS: 0.716 ppm Count: 256 Average Difference: -0.015 +/- 0.717 ppm ############################################################################ For conformer 3: Atom Original Corrected SPARTA Difference RESID 25 (D): N 120.600 120.600 120.695 -0.095 RESID 25 (D): C 174.400 174.400 175.919 -1.519 RESID 25 (D): CA 55.230 55.230 53.083 2.147 RESID 25 (D): CB 41.340 41.340 41.913 -0.573 RESID 25 (D): H 8.275 8.275 8.222 0.053 RESID 26 (W): N 120.100 120.100 123.514 -3.414 RESID 26 (W): C 174.200 174.200 175.074 -0.874 RESID 26 (W): CA 55.330 55.330 54.971 0.360 RESID 26 (W): CB 31.090 31.090 27.829 3.261 RESID 26 (W): H 7.788 7.788 7.587 0.201 RESID 27 (P): C 175.900 175.900 175.926 -0.026 RESID 27 (P): CA 62.800 62.800 63.091 -0.291 RESID 27 (P): CB 37.260 37.260 32.332 4.928 RESID 28 (R): N 118.000 118.000 121.812 -3.812 RESID 28 (R): C 173.700 173.700 175.128 -1.428 RESID 28 (R): CA 55.160 55.160 54.413 0.746 RESID 28 (R): CB 33.430 33.430 32.662 0.768 RESID 28 (R): H 8.686 8.686 8.589 0.097 RESID 29 (Q): N 120.800 120.800 121.603 -0.803 RESID 29 (Q): C 175.500 175.500 174.940 0.560 RESID 29 (Q): CA 54.780 54.780 56.074 -1.294 RESID 29 (Q): CB 30.700 30.700 29.261 1.440 RESID 29 (Q): H 8.506 8.506 8.598 -0.092 RESID 30 (I): N 124.300 124.300 126.087 -1.787 RESID 30 (I): C 175.700 175.700 175.088 0.612 RESID 30 (I): CA 58.520 58.520 59.413 -0.893 RESID 30 (I): CB 40.680 40.680 41.180 -0.500 RESID 30 (I): H 9.002 9.002 7.954 1.048 RESID 31 (T): N 125.200 125.200 121.981 3.219 RESID 31 (T): C 174.400 174.400 173.686 0.714 RESID 31 (T): CA 62.150 62.150 63.496 -1.346 RESID 31 (T): CB 70.640 70.640 69.584 1.056 RESID 31 (T): H 8.989 8.989 8.403 0.586 RESID 32 (D): N 129.500 129.500 123.833 5.667 RESID 32 (D): C 177.400 177.400 175.988 1.412 RESID 32 (D): CA 52.630 52.630 51.889 0.742 RESID 32 (D): CB 42.950 42.950 43.584 -0.634 RESID 32 (D): H 9.389 9.389 7.955 1.434 RESID 33 (S): N 111.900 111.900 116.414 -4.514 RESID 33 (S): C 175.600 175.600 176.024 -0.424 RESID 33 (S): CA 60.920 60.920 60.587 0.333 RESID 33 (S): CB 63.430 63.430 63.853 -0.423 RESID 33 (S): H 8.075 8.075 8.278 -0.203 RESID 34 (R): N 120.600 120.600 123.142 -2.542 RESID 34 (R): C 176.100 176.100 176.931 -0.831 RESID 34 (R): CA 55.020 55.020 58.543 -3.523 RESID 34 (R): CB 30.850 30.850 30.721 0.129 RESID 34 (R): H 8.433 8.433 7.836 0.597 RESID 35 (G): N 108.900 108.900 103.735 5.165 RESID 35 (G): C 171.200 171.200 173.491 -2.291 RESID 35 (G): CA 45.060 45.060 45.572 -0.512 RESID 35 (G): H 7.837 7.837 8.616 -0.779 RESID 36 (T): N 116.300 116.300 115.874 0.426 RESID 36 (T): C 173.800 173.800 172.836 0.964 RESID 36 (T): CA 62.670 62.670 62.605 0.065 RESID 36 (T): CB 70.000 70.000 70.172 -0.172 RESID 36 (T): H 8.192 8.192 7.655 0.537 RESID 37 (H): N 125.800 125.800 125.333 0.467 RESID 37 (H): C 174.000 174.000 173.274 0.726 RESID 37 (H): CA 54.060 54.060 55.415 -1.355 RESID 37 (H): CB 31.020 31.020 33.052 -2.032 RESID 37 (H): H 8.986 8.986 8.631 0.355 RESID 38 (T): N 121.500 121.500 117.803 3.697 RESID 38 (T): C 174.200 174.200 172.942 1.258 RESID 38 (T): CA 63.190 63.190 61.138 2.052 RESID 38 (T): CB 70.080 70.080 71.324 -1.244 RESID 38 (T): H 9.101 9.101 7.707 1.394 RESID 39 (L): N 129.600 129.600 122.434 7.166 RESID 39 (L): C 176.900 176.900 176.883 0.017 RESID 39 (L): CA 53.990 53.990 53.477 0.513 RESID 39 (L): CB 43.160 43.160 44.121 -0.961 RESID 39 (L): H 9.145 9.145 8.725 0.420 RESID 40 (E): N 124.300 124.300 125.785 -1.485 RESID 40 (E): C 175.600 175.600 175.935 -0.335 RESID 40 (E): CA 59.420 59.420 59.172 0.248 RESID 40 (E): CB 30.710 30.710 30.215 0.495 RESID 40 (E): H 9.164 9.164 9.042 0.122 RESID 41 (S): N 108.300 108.300 110.036 -1.736 RESID 41 (S): C 171.700 171.700 173.181 -1.481 RESID 41 (S): CA 56.270 56.270 57.152 -0.882 RESID 41 (S): CB 65.420 65.420 64.827 0.593 RESID 41 (S): H 7.326 7.326 7.486 -0.160 RESID 42 (Q): N 123.900 123.900 120.573 3.327 RESID 42 (Q): C 174.600 174.600 174.739 -0.139 RESID 42 (Q): CA 53.730 53.730 55.812 -2.082 RESID 42 (Q): CB 28.470 28.470 27.883 0.588 RESID 42 (Q): H 7.339 7.339 8.616 -1.277 RESID 43 (P): C 176.300 176.300 176.689 -0.389 RESID 43 (P): CA 64.080 64.080 63.348 0.732 RESID 43 (P): CB 32.510 32.510 32.415 0.095 RESID 44 (Q): N 125.100 125.100 122.541 2.559 RESID 44 (Q): C 175.400 175.400 176.026 -0.626 RESID 44 (Q): CA 55.780 55.780 57.243 -1.463 RESID 44 (Q): CB 32.660 32.660 29.785 2.875 RESID 44 (Q): H 11.160 11.160 8.545 2.615 RESID 45 (R): N 125.700 125.700 117.530 8.170 RESID 45 (R): C 174.600 174.600 174.106 0.494 RESID 45 (R): CA 55.310 55.310 55.247 0.063 RESID 45 (R): CB 33.070 33.070 33.050 0.020 RESID 45 (R): H 10.010 10.010 7.566 2.444 RESID 47 (V): C 174.700 174.700 174.349 0.351 RESID 47 (V): CA 60.970 60.970 61.245 -0.275 RESID 47 (V): CB 34.140 34.140 34.398 -0.258 RESID 48 (S): N 118.300 118.300 120.300 -2.000 RESID 48 (S): C 175.500 175.500 173.591 1.909 RESID 48 (S): CA 55.700 55.700 57.574 -1.874 RESID 48 (S): CB 64.750 64.750 65.868 -1.118 RESID 48 (S): H 7.852 7.852 8.501 -0.649 RESID 49 (T): N 116.800 116.800 112.669 4.131 RESID 49 (T): C 171.500 171.500 174.443 -2.943 RESID 49 (T): CA 62.400 62.400 61.457 0.943 RESID 49 (T): CB 69.320 69.320 69.697 -0.377 RESID 49 (T): H 8.283 8.283 8.647 -0.364 RESID 50 (S): N 116.200 116.200 116.536 -0.336 RESID 50 (S): C 174.600 174.600 175.204 -0.604 RESID 50 (S): CA 54.640 54.640 56.625 -1.985 RESID 50 (S): CB 64.000 64.000 64.113 -0.113 RESID 50 (S): H 7.627 7.627 7.732 -0.105 RESID 51 (V): N 134.300 134.300 129.080 5.220 RESID 51 (V): C 175.100 175.100 177.826 -2.726 RESID 51 (V): CA 65.620 65.620 66.053 -0.433 RESID 51 (V): CB 31.790 31.790 31.995 -0.205 RESID 51 (V): H 9.218 9.218 9.007 0.211 RESID 52 (T): N 117.000 117.000 116.146 0.854 RESID 52 (T): C 179.700 179.700 176.324 3.376 RESID 52 (T): CA 67.390 67.390 66.920 0.470 RESID 52 (T): CB 69.130 69.130 68.647 0.483 RESID 52 (T): H 7.841 7.841 8.020 -0.179 RESID 53 (L): N 123.400 123.400 121.970 1.430 RESID 53 (L): C 178.700 178.700 178.174 0.526 RESID 53 (L): CA 57.460 57.460 58.202 -0.742 RESID 53 (L): CB 42.610 42.610 41.749 0.861 RESID 53 (L): H 8.092 8.092 8.591 -0.499 RESID 54 (T): N 117.500 117.500 115.742 1.758 RESID 54 (T): C 174.900 174.900 176.636 -1.736 RESID 54 (T): CA 67.070 67.070 67.734 -0.664 RESID 54 (T): H 8.039 8.039 8.147 -0.108 RESID 55 (G): N 105.500 105.500 109.178 -3.678 RESID 55 (G): C 175.600 175.600 175.776 -0.176 RESID 55 (G): CA 47.260 47.260 46.949 0.311 RESID 55 (G): H 6.591 6.591 7.870 -1.279 RESID 56 (S): N 117.000 117.000 117.788 -0.788 RESID 56 (S): C 175.600 175.600 176.751 -1.151 RESID 56 (S): CA 63.400 63.400 61.430 1.970 RESID 56 (S): CB 65.060 65.060 63.085 1.975 RESID 56 (S): H 6.709 6.709 7.963 -1.254 RESID 58 (L): C 181.200 181.200 179.404 1.796 RESID 58 (L): CA 57.480 57.480 57.743 -0.263 RESID 58 (L): CB 40.810 40.810 40.917 -0.107 RESID 59 (A): N 122.100 122.100 122.919 -0.819 RESID 59 (A): C 178.500 178.500 178.809 -0.309 RESID 59 (A): CA 55.540 55.540 54.803 0.737 RESID 59 (A): CB 18.440 18.440 18.761 -0.321 RESID 59 (A): H 7.797 7.797 8.089 -0.292 RESID 60 (I): C 172.700 172.700 174.241 -1.541 RESID 60 (I): CA 60.390 60.390 60.241 0.149 RESID 60 (I): CB 37.930 37.930 37.462 0.468 RESID 61 (D): N 116.200 116.200 118.579 -2.379 RESID 61 (D): C 174.800 174.800 174.557 0.243 RESID 61 (D): CA 55.850 55.850 55.800 0.050 RESID 61 (D): CB 38.930 38.930 38.961 -0.031 RESID 61 (D): H 7.736 7.736 7.731 0.005 RESID 62 (A): N 118.900 118.900 122.016 -3.116 RESID 62 (A): C 176.800 176.800 174.109 2.691 RESID 62 (A): CA 50.040 50.040 50.887 -0.847 RESID 62 (A): CB 17.940 17.940 19.580 -1.640 RESID 62 (A): H 7.820 7.820 7.724 0.096 RESID 63 (P): C 173.600 173.600 175.709 -2.109 RESID 63 (P): CA 63.250 63.250 62.629 0.621 RESID 63 (P): CB 27.640 27.640 32.351 -4.711 RESID 64 (V): N 123.100 123.100 119.236 3.864 RESID 64 (V): C 174.800 174.800 175.723 -0.923 RESID 64 (V): CA 58.420 58.420 59.869 -1.449 RESID 64 (V): CB 33.300 33.300 34.079 -0.779 RESID 64 (V): H 8.299 8.299 7.866 0.433 RESID 65 (I): N 122.000 122.000 126.372 -4.372 RESID 65 (I): C 177.100 177.100 175.560 1.540 RESID 65 (I): CA 61.010 61.010 64.030 -3.020 RESID 65 (I): CB 39.480 39.480 38.211 1.270 RESID 65 (I): H 8.589 8.589 8.377 0.212 RESID 66 (A): N 120.700 120.700 116.438 4.262 RESID 66 (A): C 175.100 175.100 175.199 -0.099 RESID 66 (A): CA 51.300 51.300 50.657 0.643 RESID 66 (A): CB 22.980 22.980 21.552 1.428 RESID 66 (A): H 7.246 7.246 7.673 -0.427 RESID 67 (S): N 111.700 111.700 116.702 -5.002 RESID 67 (S): C 176.500 176.500 174.320 2.180 RESID 67 (S): CA 55.230 55.230 57.263 -2.033 RESID 67 (S): CB 65.300 65.300 67.723 -2.423 RESID 67 (S): H 8.561 8.561 8.302 0.259 RESID 68 (G): N 112.900 112.900 107.203 5.697 RESID 68 (G): C 171.000 171.000 172.607 -1.607 RESID 68 (G): CA 46.580 46.580 44.520 2.060 RESID 68 (G): H 7.604 7.604 8.719 -1.115 RESID 69 (A): N 122.300 122.300 126.049 -3.749 RESID 69 (A): C 177.900 177.900 175.124 2.776 RESID 69 (A): CA 51.280 51.280 52.504 -1.224 RESID 69 (A): CB 23.440 23.440 21.379 2.061 RESID 69 (A): H 7.402 7.402 8.156 -0.754 RESID 70 (T): N 119.600 119.600 113.415 6.185 RESID 70 (T): C 171.400 171.400 173.710 -2.310 RESID 70 (T): CA 58.150 58.150 60.885 -2.735 RESID 70 (T): CB 70.880 70.880 69.896 0.984 RESID 70 (T): H 9.171 9.171 8.120 1.051 RESID 71 (T): N 116.500 116.500 121.483 -4.983 RESID 71 (T): C 172.500 172.500 172.937 -0.437 RESID 71 (T): CA 61.680 61.680 61.546 0.134 RESID 71 (T): CB 70.490 70.490 68.965 1.525 RESID 71 (T): H 7.663 7.663 8.452 -0.789 RESID 72 (P): C 177.100 177.100 176.120 0.980 RESID 72 (P): CA 63.390 63.390 63.588 -0.198 RESID 72 (P): CB 32.940 32.940 32.210 0.730 RESID 73 (N): N 115.200 115.200 119.761 -4.561 RESID 73 (N): C 174.600 174.600 176.217 -1.617 RESID 73 (N): CA 54.570 54.570 53.831 0.739 RESID 73 (N): CB 37.020 37.020 38.481 -1.461 RESID 73 (N): H 7.990 7.990 8.693 -0.703 RESID 74 (N): C 175.800 175.800 176.961 -1.161 RESID 74 (N): CA 60.660 60.660 55.644 5.016 RESID 74 (N): CB 38.070 38.070 37.717 0.353 RESID 75 (R): N 114.600 114.600 120.949 -6.349 RESID 75 (R): C 177.400 177.400 177.561 -0.161 RESID 75 (R): CA 59.940 59.940 58.866 1.074 RESID 75 (R): CB 31.110 31.110 30.055 1.055 RESID 75 (R): H 8.049 8.049 8.338 -0.289 RESID 76 (V): N 107.100 107.100 117.373 -10.273 RESID 76 (V): C 176.000 176.000 175.951 0.049 RESID 76 (V): CA 61.110 61.110 64.055 -2.946 RESID 76 (V): CB 33.590 33.590 31.560 2.030 RESID 76 (V): H 7.356 7.356 8.183 -0.827 RESID 77 (A): N 126.900 126.900 120.998 5.902 RESID 77 (A): C 176.500 176.500 177.581 -1.081 RESID 77 (A): CA 51.390 51.390 52.433 -1.043 RESID 77 (A): CB 24.260 24.260 19.146 5.114 RESID 77 (A): H 7.873 7.873 7.157 0.716 RESID 78 (D): N 118.700 118.700 116.913 1.787 RESID 78 (D): C 178.100 178.100 175.891 2.209 RESID 78 (D): CA 51.970 51.970 52.909 -0.939 RESID 78 (D): CB 41.360 41.360 40.992 0.368 RESID 78 (D): H 8.607 8.607 8.177 0.430 RESID 79 (D): N 116.600 116.600 115.732 0.868 RESID 79 (D): C 176.400 176.400 176.112 0.288 RESID 79 (D): CA 56.030 56.030 54.950 1.080 RESID 79 (D): CB 40.100 40.100 39.207 0.893 RESID 79 (D): H 8.258 8.258 8.408 -0.150 RESID 80 (Q): N 117.200 117.200 121.539 -4.339 RESID 80 (Q): C 175.700 175.700 176.884 -1.184 RESID 80 (Q): CA 54.970 54.970 56.490 -1.520 RESID 80 (Q): CB 30.840 30.840 28.434 2.406 RESID 80 (Q): H 8.160 8.160 8.333 -0.173 RESID 81 (G): N 105.300 105.300 105.325 -0.025 RESID 81 (G): C 174.200 174.200 173.348 0.852 RESID 81 (G): CA 45.740 45.740 44.795 0.945 RESID 81 (G): H 7.419 7.419 8.064 -0.645 RESID 82 (F): N 121.700 121.700 121.099 0.601 RESID 82 (F): C 175.300 175.300 175.735 -0.435 RESID 82 (F): CA 52.530 52.530 56.793 -4.263 RESID 82 (F): CB 37.430 37.430 40.060 -2.630 RESID 82 (F): H 8.154 8.154 7.855 0.299 RESID 83 (L): C 178.400 178.400 177.440 0.960 RESID 83 (L): CA 55.550 55.550 55.191 0.359 RESID 83 (L): CB 38.480 38.480 41.963 -3.483 RESID 84 (R): N 119.000 119.000 118.696 0.304 RESID 84 (R): C 178.300 178.300 177.539 0.761 RESID 84 (R): CA 60.690 60.690 57.239 3.451 RESID 84 (R): CB 31.530 31.530 29.882 1.648 RESID 84 (R): H 7.746 7.746 8.430 -0.684 RESID 85 (Q): N 116.400 116.400 118.995 -2.595 RESID 85 (Q): C 174.700 174.700 177.391 -2.691 RESID 85 (Q): CA 58.200 58.200 57.982 0.218 RESID 85 (Q): CB 26.140 26.140 29.298 -3.158 RESID 85 (Q): H 9.838 9.838 7.977 1.861 RESID 86 (W): N 115.600 115.600 121.983 -6.383 RESID 86 (W): C 175.900 175.900 177.771 -1.871 RESID 86 (W): CA 55.320 55.320 60.465 -5.145 RESID 86 (W): CB 27.470 27.470 29.612 -2.142 RESID 86 (W): H 6.600 6.600 8.554 -1.954 RESID 87 (S): N 118.500 118.500 114.558 3.942 RESID 87 (S): C 177.300 177.300 175.874 1.426 RESID 87 (S): CA 62.340 62.340 61.766 0.575 RESID 87 (S): H 7.067 7.067 8.356 -1.289 RESID 88 (K): N 118.300 118.300 122.246 -3.946 RESID 88 (K): C 179.000 179.000 178.829 0.171 RESID 88 (K): CA 59.970 59.970 59.503 0.467 RESID 88 (K): CB 32.380 32.380 32.476 -0.096 RESID 88 (K): H 8.615 8.615 7.655 0.960 RESID 89 (V): N 120.600 120.600 114.295 6.305 RESID 89 (V): C 178.100 178.100 177.315 0.785 RESID 89 (V): CA 65.530 65.530 65.448 0.082 RESID 89 (V): CB 32.180 32.180 31.665 0.515 RESID 89 (V): H 7.089 7.089 7.747 -0.658 RESID 90 (A): N 120.700 120.700 121.127 -0.427 RESID 90 (A): C 180.000 180.000 178.944 1.056 RESID 90 (A): CA 55.490 55.490 54.169 1.321 RESID 90 (A): CB 19.130 19.130 17.819 1.311 RESID 90 (A): H 7.979 7.979 7.335 0.644 RESID 91 (K): N 117.600 117.600 118.041 -0.441 RESID 91 (K): C 180.900 180.900 177.889 3.011 RESID 91 (K): CA 59.830 59.830 58.844 0.986 RESID 91 (K): CB 32.700 32.700 32.711 -0.011 RESID 91 (K): H 7.844 7.844 8.112 -0.268 RESID 92 (E): N 122.300 122.300 117.239 5.061 RESID 92 (E): C 178.600 178.600 177.103 1.497 RESID 92 (E): CA 59.590 59.590 57.318 2.272 RESID 92 (E): CB 29.740 29.740 30.406 -0.666 RESID 92 (E): H 8.178 8.178 7.705 0.473 RESID 93 (R): N 115.300 115.300 118.425 -3.125 RESID 93 (R): C 175.000 175.000 174.667 0.333 RESID 93 (R): CA 56.320 56.320 55.529 0.791 RESID 93 (R): CB 29.390 29.390 30.909 -1.519 RESID 93 (R): H 7.776 7.776 8.053 -0.277 RESID 94 (K): N 116.800 116.800 115.754 1.046 RESID 94 (K): C 176.400 176.400 175.822 0.578 RESID 94 (K): CA 56.950 56.950 57.596 -0.646 RESID 94 (K): CB 28.870 28.870 30.346 -1.476 RESID 94 (K): H 7.697 7.697 8.374 -0.677 RESID 95 (L): N 120.600 120.600 122.396 -1.796 RESID 95 (L): C 177.200 177.200 176.821 0.379 RESID 95 (L): CA 56.710 56.710 55.805 0.905 RESID 95 (L): CB 43.480 43.480 42.300 1.180 RESID 95 (L): H 7.708 7.708 7.650 0.058 RESID 96 (Q): N 124.900 124.900 124.202 0.698 RESID 96 (Q): C 175.000 175.000 176.190 -1.190 RESID 96 (Q): CA 55.570 55.570 54.884 0.686 RESID 96 (Q): CB 30.080 30.080 29.799 0.281 RESID 96 (Q): H 7.526 7.526 8.392 -0.866 RESID 97 (R): N 126.000 126.000 119.538 6.462 RESID 97 (R): C 176.800 176.800 176.222 0.578 RESID 97 (R): CA 55.610 55.610 56.646 -1.036 RESID 97 (R): CB 31.840 31.840 30.220 1.620 RESID 97 (R): H 9.039 9.039 8.537 0.502 RESID 98 (L): N 126.500 126.500 122.998 3.502 RESID 98 (L): C 175.400 175.400 175.807 -0.407 RESID 98 (L): CA 56.610 56.610 54.178 2.432 RESID 98 (L): CB 47.140 47.140 43.810 3.330 RESID 98 (L): H 8.247 8.247 8.688 -0.441 RESID 99 (Y): N 110.000 110.000 112.078 -2.078 RESID 99 (Y): C 173.200 173.200 174.584 -1.384 RESID 99 (Y): CA 55.320 55.320 56.136 -0.816 RESID 99 (Y): CB 38.350 38.350 39.353 -1.003 RESID 99 (Y): H 6.465 6.465 7.818 -1.353 RESID 100 (I): N 120.000 120.000 126.213 -6.213 RESID 100 (I): C 176.800 176.800 177.148 -0.348 RESID 100 (I): CA 61.290 61.290 63.094 -1.804 RESID 100 (I): CB 39.980 39.980 36.395 3.585 RESID 100 (I): H 8.725 8.725 8.608 0.117 RESID 101 (G): N 114.800 114.800 113.938 0.862 RESID 101 (G): C 173.400 173.400 174.108 -0.708 RESID 101 (G): CA 47.030 47.030 44.821 2.209 RESID 101 (G): H 8.224 8.224 8.475 -0.251 RESID 102 (E): N 129.600 129.600 118.695 10.905 RESID 102 (E): C 173.700 173.700 174.484 -0.784 RESID 102 (E): CA 54.480 54.480 54.010 0.470 RESID 102 (E): CB 29.790 29.790 27.762 2.028 RESID 102 (E): H 8.294 8.294 8.008 0.286 RESID 103 (P): C 175.400 175.400 176.233 -0.833 RESID 103 (P): CA 62.040 62.040 63.417 -1.377 RESID 103 (P): CB 32.570 32.570 32.657 -0.087 RESID 104 (S): N 111.900 111.900 117.126 -5.226 RESID 104 (S): C 174.800 174.800 174.655 0.145 RESID 104 (S): CA 55.340 55.340 58.498 -3.158 RESID 104 (S): CB 64.330 64.330 64.400 -0.070 RESID 104 (S): H 5.412 5.412 7.972 -2.560 RESID 105 (A): N 130.200 130.200 129.951 0.249 RESID 105 (A): C 179.400 179.400 179.059 0.341 RESID 105 (A): CA 55.070 55.070 54.326 0.744 RESID 105 (A): CB 18.210 18.210 19.111 -0.901 RESID 105 (A): H 9.211 9.211 8.880 0.331 RESID 106 (E): N 119.800 119.800 119.409 0.391 RESID 106 (E): C 179.300 179.300 178.853 0.447 RESID 106 (E): CA 60.270 60.270 59.019 1.252 RESID 106 (E): CB 28.990 28.990 29.467 -0.477 RESID 106 (E): H 8.731 8.731 8.594 0.137 RESID 107 (A): N 121.600 121.600 122.404 -0.804 RESID 107 (A): C 180.100 180.100 179.782 0.318 RESID 107 (A): CA 54.650 54.650 55.082 -0.432 RESID 107 (A): CB 19.220 19.220 18.374 0.846 RESID 107 (A): H 7.682 7.682 7.827 -0.145 RESID 108 (V): N 116.600 116.600 118.270 -1.670 RESID 108 (V): C 177.700 177.700 178.637 -0.937 RESID 108 (V): CA 66.920 66.920 65.767 1.153 RESID 108 (V): CB 31.430 31.430 31.096 0.334 RESID 108 (V): H 7.015 7.015 7.547 -0.532 RESID 109 (A): N 121.400 121.400 123.382 -1.982 RESID 109 (A): C 181.100 181.100 179.334 1.766 RESID 109 (A): CA 55.540 55.540 55.012 0.528 RESID 109 (A): CB 17.900 17.900 18.115 -0.215 RESID 109 (A): H 8.262 8.262 8.191 0.071 RESID 110 (A): N 118.800 118.800 119.527 -0.727 RESID 110 (A): C 178.900 178.900 178.637 0.263 RESID 110 (A): CA 54.300 54.300 54.548 -0.248 RESID 110 (A): CB 18.460 18.460 18.492 -0.032 RESID 110 (A): H 7.607 7.607 7.922 -0.315 RESID 111 (Q): N 113.500 113.500 114.533 -1.033 RESID 111 (Q): C 174.900 174.900 175.942 -1.042 RESID 111 (Q): CA 55.160 55.160 54.243 0.917 RESID 111 (Q): CB 28.450 28.450 28.677 -0.227 RESID 111 (Q): H 7.148 7.148 7.439 -0.291 RESID 112 (M): N 114.700 114.700 120.909 -6.209 RESID 112 (M): C 173.300 173.300 173.240 0.060 RESID 112 (M): CA 55.900 55.900 55.524 0.376 RESID 112 (M): CB 30.300 30.300 31.747 -1.447 RESID 112 (M): H 7.882 7.882 7.946 -0.064 RESID 113 (P): C 176.700 176.700 176.259 0.441 RESID 113 (P): CA 62.820 62.820 62.575 0.245 RESID 113 (P): CB 33.340 33.340 33.004 0.336 RESID 114 (D): N 115.800 115.800 117.907 -2.107 RESID 114 (D): C 175.900 175.900 175.928 -0.028 RESID 114 (D): CA 53.150 53.150 55.205 -2.055 RESID 114 (D): CB 40.990 40.990 42.948 -1.958 RESID 114 (D): H 8.850 8.850 8.231 0.619 RESID 115 (L): C 174.900 174.900 174.311 0.589 RESID 115 (L): CA 52.800 52.800 54.126 -1.326 RESID 116 (I): N 123.500 123.500 126.144 -2.644 RESID 116 (I): CA 60.270 60.270 60.094 0.176 RESID 116 (I): H 9.340 9.340 8.011 1.329 RESID 118 (I): C 174.400 174.400 175.450 -1.050 RESID 118 (I): CA 60.250 60.250 59.785 0.465 RESID 118 (I): CB 42.610 42.610 41.410 1.200 RESID 119 (S): N 121.600 121.600 121.672 -0.072 RESID 119 (S): C 175.700 175.700 175.145 0.555 RESID 119 (S): CA 57.150 57.150 57.729 -0.579 RESID 119 (S): CB 65.280 65.280 64.590 0.690 RESID 119 (S): H 9.575 9.575 8.560 1.015 RESID 120 (A): N 126.000 126.000 124.511 1.489 RESID 120 (A): C 176.900 176.900 177.440 -0.540 RESID 120 (A): CA 54.300 54.300 54.345 -0.045 RESID 120 (A): CB 20.530 20.530 18.971 1.559 RESID 120 (A): H 8.143 8.143 8.713 -0.570 RESID 121 (T): N 106.400 106.400 110.501 -4.101 RESID 121 (T): C 173.000 173.000 173.110 -0.110 RESID 121 (T): CA 59.450 59.450 61.906 -2.456 RESID 121 (T): CB 72.310 72.310 70.702 1.608 RESID 121 (T): H 7.617 7.617 7.852 -0.235 RESID 122 (G): N 104.200 104.200 110.751 -6.551 RESID 122 (G): C 177.200 177.200 174.144 3.056 RESID 122 (G): CA 44.430 44.430 45.183 -0.753 RESID 122 (G): H 7.998 7.998 7.841 0.157 RESID 123 (G): C 174.100 174.100 174.317 -0.217 RESID 123 (G): CA 46.710 46.710 45.675 1.035 RESID 124 (D): N 116.900 116.900 119.152 -2.252 RESID 124 (D): C 176.900 176.900 175.740 1.160 RESID 124 (D): CA 52.320 52.320 52.920 -0.601 RESID 124 (D): CB 40.690 40.690 40.618 0.072 RESID 124 (D): H 8.617 8.617 7.727 0.890 RESID 125 (S): N 115.100 115.100 119.123 -4.023 RESID 125 (S): C 176.900 176.900 175.180 1.720 RESID 125 (S): CA 58.750 58.750 58.659 0.091 RESID 125 (S): CB 64.190 64.190 64.076 0.114 RESID 125 (S): H 7.322 7.322 8.437 -1.115 RESID 126 (A): N 134.900 134.900 130.073 4.827 RESID 126 (A): C 176.700 176.700 178.660 -1.960 RESID 126 (A): CA 51.150 51.150 53.507 -2.357 RESID 126 (A): CB 16.850 16.850 19.093 -2.243 RESID 126 (A): H 8.837 8.837 8.611 0.226 RESID 127 (L): N 121.000 121.000 121.008 -0.008 RESID 127 (L): C 178.900 178.900 178.342 0.558 RESID 127 (L): CA 58.730 58.730 57.284 1.446 RESID 127 (L): CB 42.840 42.840 41.616 1.224 RESID 127 (L): H 7.353 7.353 8.148 -0.795 RESID 128 (A): N 121.600 121.600 118.128 3.472 RESID 128 (A): C 178.900 178.900 178.129 0.771 RESID 128 (A): CA 55.010 55.010 54.160 0.850 RESID 128 (A): CB 18.200 18.200 18.695 -0.495 RESID 128 (A): H 8.918 8.918 7.619 1.299 RESID 129 (L): N 116.800 116.800 116.243 0.557 RESID 129 (L): C 177.000 177.000 177.895 -0.895 RESID 129 (L): CA 53.930 53.930 55.237 -1.307 RESID 129 (L): CB 42.710 42.710 43.098 -0.388 RESID 129 (L): H 7.776 7.776 7.423 0.353 RESID 130 (Y): N 122.000 122.000 122.802 -0.802 RESID 130 (Y): C 177.100 177.100 176.734 0.366 RESID 130 (Y): CA 64.420 64.420 62.958 1.462 RESID 130 (Y): CB 39.470 39.470 38.430 1.040 RESID 130 (Y): H 7.891 7.891 8.994 -1.103 RESID 131 (D): N 119.000 119.000 117.822 1.178 RESID 131 (D): C 178.300 178.300 178.382 -0.082 RESID 131 (D): CA 58.040 58.040 57.426 0.614 RESID 131 (D): CB 39.660 39.660 39.392 0.268 RESID 131 (D): H 9.014 9.014 8.102 0.912 RESID 132 (Q): N 118.900 118.900 119.820 -0.920 RESID 132 (Q): C 179.100 179.100 178.800 0.300 RESID 132 (Q): CA 58.930 58.930 58.728 0.202 RESID 132 (Q): CB 29.320 29.320 28.738 0.582 RESID 132 (Q): H 7.814 7.814 7.947 -0.133 RESID 133 (L): N 119.700 119.700 120.162 -0.462 RESID 133 (L): C 177.900 177.900 178.606 -0.706 RESID 133 (L): CA 57.910 57.910 57.676 0.234 RESID 133 (L): CB 40.980 40.980 41.788 -0.808 RESID 133 (L): H 8.450 8.450 8.890 -0.440 RESID 134 (S): N 111.800 111.800 114.845 -3.045 RESID 134 (S): C 175.500 175.500 175.845 -0.345 RESID 134 (S): CA 61.160 61.160 60.945 0.215 RESID 134 (S): CB 63.450 63.450 62.715 0.735 RESID 134 (S): H 8.128 8.128 8.453 -0.325 RESID 135 (T): N 111.100 111.100 116.008 -4.908 RESID 135 (T): C 175.300 175.300 176.614 -1.314 RESID 135 (T): CA 63.230 63.230 65.311 -2.081 RESID 135 (T): CB 69.670 69.670 69.010 0.660 RESID 135 (T): H 6.953 6.953 7.548 -0.595 RESID 136 (I): N 124.400 124.400 120.489 3.911 RESID 136 (I): C 175.800 175.800 175.579 0.221 RESID 136 (I): CA 63.940 63.940 64.047 -0.107 RESID 136 (I): CB 38.870 38.870 38.581 0.289 RESID 136 (I): H 7.694 7.694 7.356 0.338 RESID 137 (A): N 120.500 120.500 118.623 1.877 RESID 137 (A): C 172.300 172.300 173.983 -1.683 RESID 137 (A): CA 50.470 50.470 50.576 -0.106 RESID 137 (A): CB 19.320 19.320 19.483 -0.163 RESID 137 (A): H 7.540 7.540 7.975 -0.435 RESID 138 (P): C 174.700 174.700 176.198 -1.498 RESID 138 (P): CA 64.700 64.700 63.624 1.075 RESID 138 (P): CB 31.610 31.610 31.552 0.058 RESID 139 (T): N 122.000 122.000 119.813 2.187 RESID 139 (T): C 173.900 173.900 173.944 -0.044 RESID 139 (T): CA 61.630 61.630 63.172 -1.542 RESID 139 (T): CB 71.540 71.540 69.704 1.836 RESID 139 (T): H 7.990 7.990 8.172 -0.182 RESID 140 (L): C 174.900 174.900 174.428 0.472 RESID 140 (L): CA 52.740 52.740 53.437 -0.696 RESID 140 (L): CB 46.680 46.680 46.248 0.432 RESID 141 (I): N 123.500 123.500 125.561 -2.061 RESID 141 (I): C 175.700 175.700 174.787 0.913 RESID 141 (I): CA 60.250 60.250 61.090 -0.840 RESID 141 (I): CB 39.590 39.590 38.725 0.865 RESID 141 (I): H 9.345 9.345 7.943 1.402 RESID 142 (I): N 129.000 129.000 126.756 2.244 RESID 142 (I): C 174.400 174.400 173.971 0.429 RESID 142 (I): CA 57.930 57.930 59.883 -1.953 RESID 142 (I): CB 39.690 39.690 42.264 -2.574 RESID 142 (I): H 9.030 9.030 9.013 0.017 RESID 143 (N): N 129.100 129.100 124.218 4.882 RESID 143 (N): C 174.700 174.700 174.220 0.480 RESID 143 (N): CA 51.390 51.390 53.396 -2.006 RESID 143 (N): CB 39.720 39.720 39.577 0.143 RESID 143 (N): H 9.388 9.388 8.687 0.701 RESID 144 (Y): N 119.900 119.900 125.946 -6.046 RESID 144 (Y): C 176.500 176.500 174.794 1.706 RESID 144 (Y): CA 55.820 55.820 59.508 -3.688 RESID 144 (Y): CB 39.120 39.120 39.264 -0.144 RESID 144 (Y): H 8.491 8.491 8.471 0.020 RESID 145 (D): N 125.200 125.200 124.416 0.784 RESID 145 (D): C 176.800 176.800 175.025 1.775 RESID 145 (D): CA 55.220 55.220 55.424 -0.204 RESID 145 (D): CB 43.120 43.120 39.770 3.350 RESID 145 (D): H 8.800 8.800 8.355 0.445 RESID 146 (D): N 119.100 119.100 114.926 4.174 RESID 146 (D): C 175.200 175.200 175.284 -0.084 RESID 146 (D): CA 53.230 53.230 53.603 -0.373 RESID 146 (D): CB 40.760 40.760 42.422 -1.662 RESID 146 (D): H 7.571 7.571 8.611 -1.040 RESID 147 (K): N 114.100 114.100 119.834 -5.734 RESID 147 (K): C 175.000 175.000 175.268 -0.268 RESID 147 (K): CA 54.070 54.070 55.612 -1.542 RESID 147 (K): CB 33.340 33.340 35.137 -1.797 RESID 147 (K): H 7.018 7.018 7.565 -0.547 RESID 148 (S): N 118.300 118.300 118.766 -0.466 RESID 148 (S): C 175.700 175.700 176.089 -0.389 RESID 148 (S): CA 57.120 57.120 57.175 -0.055 RESID 148 (S): CB 64.970 64.970 64.251 0.718 RESID 148 (S): H 8.709 8.709 8.493 0.216 RESID 149 (W): N 121.700 121.700 119.948 1.752 RESID 149 (W): C 179.300 179.300 177.222 2.078 RESID 149 (W): CA 59.890 59.890 58.575 1.315 RESID 149 (W): CB 27.660 27.660 28.381 -0.721 RESID 149 (W): H 8.779 8.779 8.910 -0.131 RESID 150 (Q): N 124.600 124.600 121.356 3.244 RESID 150 (Q): C 178.100 178.100 177.825 0.275 RESID 150 (Q): CA 61.660 61.660 58.288 3.372 RESID 150 (Q): CB 26.550 26.550 27.744 -1.194 RESID 150 (Q): H 8.369 8.369 6.756 1.613 RESID 151 (S): N 117.500 117.500 116.380 1.120 RESID 151 (S): C 177.500 177.500 176.912 0.588 RESID 151 (S): CA 61.760 61.760 61.209 0.551 RESID 151 (S): CB 63.360 63.360 62.682 0.678 RESID 151 (S): H 7.769 7.769 7.698 0.071 RESID 152 (L): N 125.200 125.200 122.687 2.513 RESID 152 (L): C 178.700 178.700 178.152 0.548 RESID 152 (L): CA 58.320 58.320 57.929 0.391 RESID 152 (L): CB 41.980 41.980 41.699 0.281 RESID 152 (L): H 8.460 8.460 8.398 0.062 RESID 153 (L): N 119.200 119.200 118.645 0.555 RESID 153 (L): C 179.700 179.700 178.661 1.039 RESID 153 (L): CA 58.960 58.960 57.527 1.433 RESID 153 (L): CB 41.270 41.270 41.366 -0.096 RESID 153 (L): H 8.562 8.562 7.620 0.942 RESID 154 (T): N 116.300 116.300 112.810 3.490 RESID 154 (T): C 177.200 177.200 176.891 0.309 RESID 154 (T): CA 67.290 67.290 65.975 1.315 RESID 154 (T): CB 68.640 68.640 68.099 0.541 RESID 154 (T): H 8.004 8.004 7.883 0.121 RESID 155 (Q): N 124.500 124.500 120.988 3.512 RESID 155 (Q): C 179.200 179.200 177.988 1.212 RESID 155 (Q): CA 59.710 59.710 58.339 1.371 RESID 155 (Q): CB 28.620 28.620 28.344 0.276 RESID 155 (Q): H 8.230 8.230 7.909 0.321 RESID 156 (L): C 180.900 180.900 179.262 1.638 RESID 156 (L): CA 57.540 57.540 56.913 0.628 RESID 156 (L): CB 41.710 41.710 41.840 -0.130 RESID 157 (G): N 112.800 112.800 107.019 5.781 RESID 157 (G): C 174.500 174.500 175.063 -0.563 RESID 157 (G): CA 48.300 48.300 46.509 1.791 RESID 157 (G): H 9.216 9.216 7.990 1.226 RESID 158 (E): N 123.500 123.500 118.626 4.874 RESID 158 (E): C 177.800 177.800 177.136 0.664 RESID 158 (E): CA 59.120 59.120 57.830 1.290 RESID 158 (E): CB 29.700 29.700 29.384 0.316 RESID 158 (E): H 7.480 7.480 7.467 0.013 RESID 160 (T): C 178.300 178.300 175.994 2.306 RESID 160 (T): CA 61.930 61.930 63.127 -1.197 RESID 160 (T): CB 71.830 71.830 69.185 2.645 RESID 161 (G): N 113.600 113.600 113.836 -0.236 RESID 161 (G): C 174.600 174.600 174.141 0.459 RESID 161 (G): CA 48.130 48.130 46.887 1.243 RESID 161 (G): H 8.114 8.114 8.990 -0.876 RESID 162 (H): N 121.000 121.000 115.993 5.007 RESID 162 (H): C 174.000 174.000 176.146 -2.146 RESID 162 (H): CA 55.370 55.370 55.833 -0.463 RESID 162 (H): CB 28.280 28.280 31.285 -3.006 RESID 162 (H): H 8.506 8.506 7.833 0.673 RESID 163 (E): N 123.900 123.900 122.151 1.749 RESID 163 (E): C 180.800 180.800 178.464 2.336 RESID 163 (E): CA 61.160 61.160 59.715 1.445 RESID 163 (E): CB 28.720 28.720 29.164 -0.444 RESID 163 (E): H 10.300 10.300 8.765 1.535 RESID 164 (K): N 120.600 120.600 120.390 0.210 RESID 164 (K): C 178.700 178.700 178.788 -0.088 RESID 164 (K): CA 59.590 59.590 60.051 -0.461 RESID 164 (K): CB 32.280 32.280 31.972 0.308 RESID 164 (K): H 8.789 8.789 8.392 0.397 RESID 165 (Q): N 119.500 119.500 117.289 2.211 RESID 165 (Q): C 178.800 178.800 178.132 0.668 RESID 165 (Q): CA 60.870 60.870 58.844 2.026 RESID 165 (Q): CB 28.120 28.120 28.384 -0.264 RESID 165 (Q): H 8.058 8.058 8.545 -0.487 RESID 166 (A): N 121.100 121.100 122.422 -1.322 RESID 166 (A): C 178.000 178.000 179.429 -1.429 RESID 166 (A): CA 56.280 56.280 54.959 1.321 RESID 166 (A): CB 18.300 18.300 18.071 0.229 RESID 166 (A): H 7.873 7.873 7.987 -0.114 RESID 167 (A): N 117.900 117.900 120.929 -3.029 RESID 167 (A): C 181.500 181.500 179.611 1.889 RESID 167 (A): CA 55.100 55.100 55.259 -0.159 RESID 167 (A): CB 17.860 17.860 18.163 -0.303 RESID 167 (A): H 7.642 7.642 8.745 -1.103 RESID 168 (E): N 120.100 120.100 118.567 1.533 RESID 168 (E): C 179.600 179.600 179.130 0.470 RESID 168 (E): CA 59.610 59.610 59.615 -0.006 RESID 168 (E): CB 29.790 29.790 29.337 0.453 RESID 168 (E): H 8.230 8.230 7.911 0.319 RESID 170 (I): C 177.700 177.700 177.709 -0.009 RESID 170 (I): CA 66.880 66.880 65.310 1.570 RESID 170 (I): CB 39.310 39.310 37.953 1.357 RESID 171 (A): N 120.700 120.700 123.183 -2.483 RESID 171 (A): C 181.200 181.200 179.841 1.359 RESID 171 (A): CA 55.290 55.290 55.633 -0.343 RESID 171 (A): CB 18.260 18.260 18.119 0.141 RESID 171 (A): H 8.000 8.000 8.768 -0.768 RESID 172 (Q): N 120.600 120.600 118.035 2.565 RESID 172 (Q): C 179.200 179.200 178.582 0.618 RESID 172 (Q): CA 59.210 59.210 58.502 0.708 RESID 172 (Q): CB 28.340 28.340 28.601 -0.261 RESID 172 (Q): H 8.585 8.585 7.953 0.632 RESID 173 (F): N 122.500 122.500 122.601 -0.101 RESID 173 (F): C 176.400 176.400 177.406 -1.006 RESID 173 (F): CA 62.710 62.710 61.107 1.603 RESID 173 (F): CB 39.490 39.490 39.129 0.361 RESID 173 (F): H 8.457 8.457 8.793 -0.336 RESID 174 (D): N 121.000 121.000 120.103 0.897 RESID 174 (D): C 180.300 180.300 178.879 1.421 RESID 174 (D): CA 58.040 58.040 57.499 0.541 RESID 174 (D): CB 40.160 40.160 40.251 -0.091 RESID 174 (D): H 8.771 8.771 9.038 -0.267 RESID 175 (K): N 121.300 121.300 120.230 1.070 RESID 175 (K): C 179.800 179.800 178.634 1.166 RESID 175 (K): CA 59.630 59.630 59.645 -0.015 RESID 175 (K): CB 32.710 32.710 32.396 0.314 RESID 175 (K): H 8.125 8.125 8.101 0.024 RESID 176 (Q): N 121.600 121.600 119.519 2.081 RESID 176 (Q): C 179.100 179.100 178.330 0.770 RESID 176 (Q): CA 58.460 58.460 58.944 -0.484 RESID 176 (Q): CB 27.990 27.990 28.524 -0.534 RESID 176 (Q): H 8.164 8.164 7.823 0.341 RESID 177 (L): N 125.600 125.600 119.596 6.004 RESID 177 (L): C 178.400 178.400 178.678 -0.278 RESID 177 (L): CA 59.890 59.890 57.230 2.660 RESID 177 (L): CB 41.200 41.200 41.363 -0.163 RESID 177 (L): H 8.944 8.944 7.746 1.198 RESID 178 (A): N 121.500 121.500 122.562 -1.062 RESID 178 (A): C 180.600 180.600 179.230 1.370 RESID 178 (A): CA 55.390 55.390 55.200 0.190 RESID 178 (A): CB 17.970 17.970 17.881 0.089 RESID 178 (A): H 7.690 7.690 8.258 -0.568 RESID 179 (A): N 120.200 120.200 120.978 -0.778 RESID 179 (A): C 180.600 180.600 179.884 0.716 RESID 179 (A): CA 54.860 54.860 54.515 0.345 RESID 179 (A): CB 18.190 18.190 18.599 -0.408 RESID 179 (A): H 7.706 7.706 7.665 0.041 RESID 180 (A): N 121.800 121.800 121.828 -0.028 RESID 180 (A): C 179.200 179.200 179.101 0.099 RESID 180 (A): CA 55.490 55.490 54.745 0.745 RESID 180 (A): CB 17.920 17.920 18.184 -0.265 RESID 180 (A): H 8.171 8.171 7.998 0.173 RESID 181 (K): N 118.100 118.100 117.917 0.183 RESID 181 (K): C 178.000 178.000 178.071 -0.071 RESID 181 (K): CA 59.830 59.830 59.210 0.620 RESID 181 (K): CB 33.340 33.340 32.642 0.698 RESID 181 (K): H 8.342 8.342 8.309 0.033 RESID 182 (E): N 114.400 114.400 116.527 -2.127 RESID 182 (E): C 177.300 177.300 177.442 -0.142 RESID 182 (E): CA 57.870 57.870 57.107 0.763 RESID 182 (E): CB 30.320 30.320 29.247 1.073 RESID 182 (E): H 7.153 7.153 7.733 -0.580 RESID 183 (Q): N 116.700 116.700 117.399 -0.699 RESID 183 (Q): C 177.200 177.200 176.177 1.023 RESID 183 (Q): CA 57.060 57.060 56.830 0.230 RESID 183 (Q): CB 31.550 31.550 31.118 0.432 RESID 183 (Q): H 7.458 7.458 7.634 -0.176 RESID 184 (I): N 117.800 117.800 115.855 1.945 RESID 184 (I): C 175.200 175.200 174.243 0.957 RESID 184 (I): CA 63.000 63.000 59.744 3.256 RESID 184 (I): CB 40.300 40.300 39.962 0.338 RESID 184 (I): H 7.723 7.723 7.427 0.296 RESID 185 (K): N 127.700 127.700 122.904 4.796 RESID 185 (K): C 175.600 175.600 175.630 -0.030 RESID 185 (K): CA 54.550 54.550 55.120 -0.570 RESID 185 (K): CB 31.600 31.600 34.518 -2.918 RESID 185 (K): H 8.743 8.743 7.912 0.831 RESID 186 (L): N 124.700 124.700 125.748 -1.048 RESID 186 (L): C 175.700 175.700 175.907 -0.207 RESID 186 (L): CA 54.240 54.240 51.887 2.353 RESID 186 (L): CB 41.050 41.050 40.662 0.388 RESID 186 (L): H 8.051 8.051 8.481 -0.430 RESID 188 (P): C 174.800 174.800 176.245 -1.445 RESID 188 (P): CA 65.060 65.060 63.589 1.471 RESID 188 (P): CB 32.670 32.670 31.694 0.976 RESID 189 (Q): N 121.300 121.300 121.059 0.241 RESID 189 (Q): C 174.800 174.800 172.921 1.879 RESID 189 (Q): CA 52.330 52.330 54.713 -2.383 RESID 189 (Q): CB 31.350 31.350 30.396 0.954 RESID 189 (Q): H 8.061 8.061 8.224 -0.163 RESID 190 (P): C 175.500 175.500 175.542 -0.042 RESID 190 (P): CA 62.820 62.820 62.479 0.341 RESID 190 (P): CB 35.450 35.450 32.814 2.636 RESID 191 (V): N 112.600 112.600 121.629 -9.029 RESID 191 (V): C 174.300 174.300 173.966 0.334 RESID 191 (V): CA 59.740 59.740 59.516 0.224 RESID 191 (V): CB 35.030 35.030 34.698 0.332 RESID 191 (V): H 9.214 9.214 8.523 0.691 RESID 192 (T): N 120.700 120.700 113.317 7.383 RESID 192 (T): C 172.300 172.300 172.093 0.207 RESID 192 (T): CA 63.030 63.030 59.519 3.511 RESID 192 (T): CB 71.550 71.550 71.256 0.294 RESID 192 (T): H 8.462 8.462 8.330 0.132 RESID 193 (A): N 132.900 132.900 122.988 9.912 RESID 193 (A): C 175.400 175.400 175.412 -0.012 RESID 193 (A): CA 50.570 50.570 51.111 -0.541 RESID 193 (A): CB 21.140 21.140 21.458 -0.318 RESID 193 (A): H 10.170 10.170 8.556 1.614 RESID 194 (I): N 115.400 115.400 117.455 -2.055 RESID 194 (I): C 176.600 176.600 173.701 2.899 RESID 194 (I): CA 59.540 59.540 60.002 -0.461 RESID 194 (I): CB 43.930 43.930 42.112 1.818 RESID 194 (I): H 9.269 9.269 8.543 0.727 RESID 195 (V): N 118.500 118.500 122.783 -4.283 RESID 195 (V): C 176.200 176.200 174.065 2.135 RESID 195 (V): CA 63.190 63.190 61.382 1.808 RESID 195 (V): CB 34.870 34.870 34.705 0.165 RESID 195 (V): H 8.484 8.484 8.630 -0.146 RESID 196 (Y): N 132.200 132.200 129.478 2.722 RESID 196 (Y): C 174.700 174.700 174.148 0.552 RESID 196 (Y): CA 57.000 57.000 57.416 -0.416 RESID 196 (Y): CB 41.250 41.250 40.176 1.074 RESID 196 (Y): H 9.989 9.989 8.980 1.009 RESID 197 (T): N 124.900 124.900 123.415 1.485 RESID 197 (T): C 174.300 174.300 173.372 0.928 RESID 197 (T): CA 60.740 60.740 60.636 0.104 RESID 197 (T): CB 68.560 68.560 71.595 -3.035 RESID 197 (T): H 8.262 8.262 7.826 0.436 RESID 198 (A): N 130.500 130.500 130.836 -0.336 RESID 198 (A): C 180.400 180.400 179.166 1.234 RESID 198 (A): CA 55.510 55.510 54.329 1.181 RESID 198 (A): CB 18.480 18.480 18.390 0.090 RESID 198 (A): H 8.524 8.524 8.845 -0.321 RESID 199 (A): N 118.700 118.700 123.465 -4.765 RESID 199 (A): C 177.700 177.700 178.730 -1.030 RESID 199 (A): CA 54.350 54.350 54.847 -0.497 RESID 199 (A): CB 18.350 18.350 17.968 0.382 RESID 199 (A): H 8.578 8.578 8.274 0.304 RESID 200 (A): N 116.700 116.700 120.539 -3.839 RESID 200 (A): C 176.600 176.600 177.247 -0.647 RESID 200 (A): CA 51.290 51.290 52.101 -0.811 RESID 200 (A): CB 20.180 20.180 18.860 1.320 RESID 200 (A): H 6.638 6.638 8.097 -1.459 RESID 201 (H): N 116.900 116.900 116.467 0.433 RESID 201 (H): C 172.900 172.900 173.406 -0.506 RESID 201 (H): CA 56.710 56.710 56.331 0.379 RESID 201 (H): CB 27.820 27.820 28.239 -0.419 RESID 201 (H): H 7.569 7.569 7.761 -0.192 RESID 202 (S): N 110.500 110.500 114.445 -3.945 RESID 202 (S): C 171.500 171.500 171.454 0.046 RESID 202 (S): CA 56.530 56.530 57.596 -1.066 RESID 202 (S): CB 66.170 66.170 66.302 -0.132 RESID 202 (S): H 7.109 7.109 7.805 -0.696 RESID 203 (A): N 120.900 120.900 123.830 -2.930 RESID 203 (A): C 174.900 174.900 175.287 -0.387 RESID 203 (A): CA 50.890 50.890 51.432 -0.542 RESID 203 (A): CB 24.510 24.510 22.204 2.306 RESID 203 (A): H 8.618 8.618 8.308 0.310 RESID 204 (N): N 118.900 118.900 118.824 0.076 RESID 204 (N): C 173.300 173.300 173.453 -0.153 RESID 204 (N): CA 51.520 51.520 52.070 -0.550 RESID 204 (N): CB 40.080 40.080 42.176 -2.096 RESID 204 (N): H 8.333 8.333 8.228 0.105 RESID 205 (L): N 127.200 127.200 121.705 5.495 RESID 205 (L): C 175.700 175.700 175.562 0.138 RESID 205 (L): CA 54.920 54.920 54.068 0.852 RESID 205 (L): CB 44.180 44.180 42.627 1.553 RESID 205 (L): H 9.265 9.265 7.614 1.651 RESID 206 (W): N 125.300 125.300 123.654 1.646 RESID 206 (W): C 177.100 177.100 176.452 0.648 RESID 206 (W): CA 56.630 56.630 57.361 -0.731 RESID 206 (W): CB 29.690 29.690 30.828 -1.137 RESID 206 (W): H 8.560 8.560 7.910 0.650 RESID 207 (T): N 112.000 112.000 110.147 1.853 RESID 207 (T): C 176.100 176.100 173.275 2.825 RESID 207 (T): CA 60.120 60.120 59.252 0.869 RESID 207 (T): CB 68.540 68.540 70.373 -1.833 RESID 207 (T): H 8.029 8.029 8.135 -0.106 RESID 208 (P): C 176.000 176.000 176.855 -0.855 RESID 208 (P): CA 66.120 66.120 65.403 0.716 RESID 208 (P): CB 31.950 31.950 32.166 -0.216 RESID 209 (E): N 112.300 112.300 115.020 -2.720 RESID 209 (E): C 177.100 177.100 176.804 0.296 RESID 209 (E): CA 57.280 57.280 57.197 0.083 RESID 209 (E): CB 29.760 29.760 30.147 -0.387 RESID 209 (E): H 7.612 7.612 7.960 -0.348 RESID 210 (S): N 115.800 115.800 115.080 0.720 RESID 210 (S): C 173.900 173.900 175.528 -1.628 RESID 210 (S): CA 58.060 58.060 59.198 -1.138 RESID 210 (S): CB 67.320 67.320 64.475 2.845 RESID 210 (S): H 7.654 7.654 7.425 0.229 RESID 211 (A): N 125.200 125.200 127.380 -2.180 RESID 211 (A): C 180.600 180.600 179.843 0.757 RESID 211 (A): CA 55.410 55.410 55.327 0.083 RESID 211 (A): CB 18.530 18.530 18.762 -0.231 RESID 211 (A): H 8.874 8.874 9.019 -0.145 RESID 212 (Q): N 119.200 119.200 118.631 0.569 RESID 212 (Q): C 177.100 177.100 178.016 -0.916 RESID 212 (Q): CA 61.410 61.410 58.967 2.443 RESID 212 (Q): CB 27.090 27.090 27.420 -0.330 RESID 212 (Q): H 8.493 8.493 8.474 0.019 RESID 213 (G): N 107.500 107.500 107.662 -0.162 RESID 213 (G): C 175.400 175.400 176.314 -0.914 RESID 213 (G): CA 47.520 47.520 46.819 0.701 RESID 213 (G): H 8.053 8.053 8.293 -0.240 RESID 214 (Q): N 120.700 120.700 121.515 -0.815 RESID 214 (Q): C 179.000 179.000 178.398 0.602 RESID 214 (Q): CA 59.150 59.150 58.872 0.278 RESID 214 (Q): CB 29.110 29.110 28.690 0.420 RESID 214 (Q): H 8.501 8.501 8.106 0.395 RESID 215 (M): N 119.200 119.200 120.602 -1.402 RESID 215 (M): C 177.800 177.800 178.175 -0.375 RESID 215 (M): CA 59.760 59.760 59.640 0.120 RESID 215 (M): CB 32.050 32.050 32.843 -0.792 RESID 215 (M): H 7.878 7.878 8.203 -0.325 RESID 216 (L): N 115.800 115.800 118.835 -3.035 RESID 216 (L): C 179.900 179.900 179.030 0.870 RESID 216 (L): CA 58.160 58.160 57.660 0.500 RESID 216 (L): CB 40.010 40.010 41.450 -1.440 RESID 216 (L): H 7.517 7.517 7.980 -0.463 RESID 217 (E): N 121.000 121.000 119.649 1.351 RESID 217 (E): C 182.200 182.200 179.258 2.942 RESID 217 (E): CA 60.210 60.210 58.932 1.278 RESID 217 (E): CB 29.150 29.150 29.421 -0.271 RESID 217 (E): H 8.377 8.377 8.197 0.180 RESID 218 (Q): N 122.300 122.300 117.132 5.168 RESID 218 (Q): C 178.100 178.100 178.871 -0.771 RESID 218 (Q): CA 59.220 59.220 58.255 0.965 RESID 218 (Q): CB 28.850 28.850 29.106 -0.256 RESID 218 (Q): H 8.464 8.464 7.922 0.542 RESID 219 (L): N 118.400 118.400 117.717 0.683 RESID 219 (L): C 175.200 175.200 177.451 -2.251 RESID 219 (L): CA 55.880 55.880 57.242 -1.362 RESID 219 (L): CB 44.330 44.330 42.885 1.445 RESID 219 (L): H 7.433 7.433 7.770 -0.337 RESID 220 (G): N 104.600 104.600 102.691 1.909 RESID 220 (G): C 174.700 174.700 172.919 1.781 RESID 220 (G): CA 44.750 44.750 44.689 0.061 RESID 220 (G): H 7.777 7.777 8.166 -0.389 RESID 221 (F): N 119.100 119.100 118.926 0.174 RESID 221 (F): C 175.200 175.200 174.346 0.854 RESID 221 (F): CA 57.900 57.900 55.960 1.940 RESID 221 (F): CB 38.930 38.930 42.791 -3.861 RESID 221 (F): H 8.001 8.001 7.771 0.230 RESID 222 (T): N 117.600 117.600 116.027 1.573 RESID 222 (T): C 173.900 173.900 173.377 0.523 RESID 222 (T): CA 61.790 61.790 61.220 0.570 RESID 222 (T): CB 71.360 71.360 69.749 1.611 RESID 222 (T): H 8.961 8.961 8.566 0.395 RESID 223 (L): N 128.300 128.300 127.114 1.186 RESID 223 (L): C 178.300 178.300 176.649 1.651 RESID 223 (L): CA 54.760 54.760 53.402 1.358 RESID 223 (L): CB 41.600 41.600 42.736 -1.135 RESID 223 (L): H 9.269 9.269 8.206 1.063 RESID 224 (A): N 126.800 126.800 128.112 -1.312 RESID 224 (A): C 177.400 177.400 175.866 1.534 RESID 224 (A): CA 52.460 52.460 51.000 1.460 RESID 224 (A): CB 18.650 18.650 20.819 -2.169 RESID 224 (A): H 9.077 9.077 8.104 0.973 RESID 225 (K): N 123.400 123.400 121.184 2.216 RESID 225 (K): C 176.800 176.800 176.195 0.605 RESID 225 (K): CA 55.600 55.600 55.581 0.019 RESID 225 (K): CB 33.080 33.080 32.900 0.180 RESID 225 (K): H 8.601 8.601 8.363 0.238 RESID 226 (L): N 126.200 126.200 128.016 -1.816 RESID 226 (L): C 175.500 175.500 175.604 -0.104 RESID 226 (L): CA 53.420 53.420 53.950 -0.530 RESID 226 (L): CB 41.720 41.720 41.252 0.468 RESID 226 (L): H 8.634 8.634 8.521 0.113 RESID 227 (P): C 176.800 176.800 177.061 -0.261 RESID 227 (P): CA 62.860 62.860 62.892 -0.032 RESID 227 (P): CB 32.360 32.360 32.188 0.172 RESID 228 (A): N 124.900 124.900 124.833 0.067 RESID 228 (A): C 179.500 179.500 178.477 1.023 RESID 228 (A): CA 54.120 54.120 53.400 0.720 RESID 228 (A): CB 18.710 18.710 18.704 0.006 RESID 228 (A): H 8.412 8.412 8.510 -0.098 RESID 229 (G): N 107.700 107.700 107.495 0.205 RESID 229 (G): C 175.000 175.000 175.976 -0.976 RESID 229 (G): CA 46.040 46.040 45.427 0.613 RESID 229 (G): H 8.565 8.565 8.096 0.469 RESID 230 (L): N 121.100 121.100 122.305 -1.205 RESID 230 (L): C 176.900 176.900 178.359 -1.459 RESID 230 (L): CA 55.620 55.620 55.511 0.109 RESID 230 (L): CB 42.630 42.630 41.690 0.941 RESID 230 (L): H 7.454 7.454 7.874 -0.420 RESID 231 (N): N 119.400 119.400 119.863 -0.463 RESID 231 (N): C 175.300 175.300 175.914 -0.614 RESID 231 (N): CA 53.650 53.650 56.135 -2.485 RESID 231 (N): CB 38.940 38.940 37.996 0.944 RESID 231 (N): H 8.211 8.211 8.028 0.183 RESID 232 (A): N 124.500 124.500 119.549 4.951 RESID 232 (A): C 178.100 178.100 178.056 0.044 RESID 232 (A): CA 53.110 53.110 51.712 1.398 RESID 232 (A): CB 19.340 19.340 18.032 1.308 RESID 232 (A): H 8.103 8.103 7.953 0.150 RESID 233 (S): N 115.200 115.200 115.215 -0.015 RESID 233 (S): C 175.100 175.100 175.572 -0.472 RESID 233 (S): CA 59.280 59.280 60.979 -1.699 RESID 233 (S): CB 64.280 64.280 63.336 0.944 RESID 233 (S): H 8.169 8.169 8.420 -0.251 RESID 234 (Q): N 122.100 122.100 120.615 1.485 RESID 234 (Q): C 176.400 176.400 175.673 0.727 RESID 234 (Q): CA 56.240 56.240 56.059 0.181 RESID 234 (Q): CB 29.490 29.490 30.822 -1.332 RESID 234 (Q): H 8.230 8.230 7.784 0.446 RESID 235 (S): N 117.100 117.100 118.125 -1.025 RESID 235 (S): C 174.900 174.900 174.655 0.245 RESID 235 (S): CA 58.910 58.910 58.889 0.021 RESID 235 (S): CB 64.510 64.510 62.879 1.631 RESID 235 (S): H 8.229 8.229 8.443 -0.214 RESID 236 (Q): N 122.300 122.300 127.126 -4.826 RESID 236 (Q): C 176.700 176.700 175.444 1.256 RESID 236 (Q): CA 56.610 56.610 55.501 1.109 RESID 236 (Q): CB 29.280 29.280 27.627 1.653 RESID 236 (Q): H 8.372 8.372 8.849 -0.477 RESID 237 (G): N 110.400 110.400 109.037 1.363 RESID 237 (G): C 174.100 174.100 172.961 1.139 RESID 237 (G): CA 45.720 45.720 45.469 0.251 RESID 237 (G): H 8.381 8.381 7.583 0.798 RESID 238 (K): N 120.500 120.500 121.466 -0.966 RESID 238 (K): C 176.600 176.600 175.489 1.111 RESID 238 (K): CA 56.490 56.490 56.019 0.471 RESID 238 (K): CB 33.320 33.320 32.760 0.560 RESID 238 (K): H 7.968 7.968 8.359 -0.391 RESID 239 (R): N 120.900 120.900 125.001 -4.101 RESID 239 (R): CA 56.130 56.130 55.942 0.188 RESID 239 (R): CB 31.560 31.560 30.907 0.653 RESID 239 (R): H 8.159 8.159 8.502 -0.343 RESID 240 (H): C 174.800 174.800 176.511 -1.711 RESID 240 (H): CA 55.740 55.740 58.618 -2.878 RESID 240 (H): CB 29.760 29.760 30.071 -0.311 RESID 241 (D): N 119.800 119.800 119.229 0.571 RESID 241 (D): C 174.700 174.700 176.270 -1.570 RESID 241 (D): CA 55.500 55.500 55.977 -0.477 RESID 241 (D): CB 40.550 40.550 41.217 -0.667 RESID 241 (D): H 9.052 9.052 8.389 0.663 RESID 242 (I): N 115.200 115.200 115.021 0.179 RESID 242 (I): C 175.600 175.600 174.392 1.208 RESID 242 (I): CA 59.090 59.090 59.407 -0.317 RESID 242 (I): CB 43.670 43.670 40.923 2.747 RESID 242 (I): H 7.087 7.087 7.412 -0.325 RESID 243 (I): N 125.100 125.100 126.152 -1.052 RESID 243 (I): C 175.300 175.300 174.265 1.035 RESID 243 (I): CA 60.340 60.340 60.639 -0.299 RESID 243 (I): CB 41.290 41.290 38.383 2.907 RESID 243 (I): H 8.746 8.746 8.516 0.230 RESID 244 (Q): N 128.400 128.400 127.531 0.869 RESID 244 (Q): C 175.300 175.300 174.255 1.045 RESID 244 (Q): CA 56.460 56.460 54.924 1.536 RESID 244 (Q): CB 29.800 29.800 29.795 0.005 RESID 244 (Q): H 8.768 8.768 8.600 0.168 RESID 245 (L): N 125.500 125.500 123.483 2.017 RESID 245 (L): C 176.200 176.200 176.613 -0.413 RESID 245 (L): CA 53.790 53.790 53.115 0.675 RESID 245 (L): CB 45.100 45.100 44.858 0.242 RESID 245 (L): H 8.640 8.640 8.348 0.292 RESID 246 (G): N 109.700 109.700 105.055 4.645 RESID 246 (G): C 174.200 174.200 174.332 -0.132 RESID 246 (G): CA 44.590 44.590 45.042 -0.452 RESID 246 (G): H 8.424 8.424 8.446 -0.022 RESID 247 (G): N 108.500 108.500 108.663 -0.163 RESID 247 (G): C 176.800 176.800 174.983 1.817 RESID 247 (G): CA 47.500 47.500 44.358 3.142 RESID 247 (G): H 8.666 8.666 7.737 0.929 RESID 248 (E): N 123.700 123.700 121.182 2.518 RESID 248 (E): C 177.300 177.300 176.533 0.767 RESID 248 (E): CA 58.560 58.560 57.512 1.048 RESID 248 (E): CB 29.330 29.330 29.229 0.101 RESID 248 (E): H 9.265 9.265 8.812 0.453 RESID 249 (N): N 116.700 116.700 116.472 0.228 RESID 249 (N): C 175.500 175.500 176.013 -0.513 RESID 249 (N): CA 53.490 53.490 53.664 -0.174 RESID 249 (N): CB 39.390 39.390 38.734 0.656 RESID 249 (N): H 7.963 7.963 7.632 0.331 RESID 250 (L): N 121.100 121.100 119.936 1.164 RESID 250 (L): C 177.100 177.100 178.099 -0.999 RESID 250 (L): CA 58.810 58.810 57.026 1.784 RESID 250 (L): CB 42.220 42.220 41.457 0.763 RESID 250 (L): H 7.104 7.104 7.802 -0.698 RESID 251 (A): N 117.400 117.400 122.426 -5.026 RESID 251 (A): C 179.500 179.500 178.168 1.332 RESID 251 (A): CA 55.340 55.340 54.651 0.689 RESID 251 (A): CB 17.960 17.960 18.388 -0.428 RESID 251 (A): H 8.141 8.141 8.311 -0.170 RESID 252 (A): N 117.400 117.400 118.612 -1.212 RESID 252 (A): C 179.100 179.100 178.319 0.781 RESID 252 (A): CA 53.990 53.990 52.385 1.605 RESID 252 (A): CB 18.970 18.970 18.969 0.001 RESID 252 (A): H 7.375 7.375 8.409 -1.034 RESID 253 (G): N 100.600 100.600 107.905 -7.305 RESID 253 (G): C 172.700 172.700 174.801 -2.101 RESID 253 (G): CA 45.380 45.380 45.020 0.360 RESID 253 (G): H 7.589 7.589 7.559 0.030 RESID 254 (L): N 124.800 124.800 122.836 1.964 RESID 254 (L): C 175.300 175.300 177.578 -2.278 RESID 254 (L): CA 53.020 53.020 54.858 -1.838 RESID 254 (L): CB 39.090 39.090 42.101 -3.011 RESID 254 (L): H 7.202 7.202 7.790 -0.588 RESID 255 (N): N 113.800 113.800 121.507 -7.707 RESID 255 (N): C 176.600 176.600 176.247 0.353 RESID 255 (N): CA 53.420 53.420 54.001 -0.581 RESID 255 (N): CB 37.600 37.600 38.826 -1.226 RESID 255 (N): H 7.701 7.701 8.843 -1.142 RESID 256 (G): N 109.100 109.100 106.583 2.517 RESID 256 (G): C 172.200 172.200 174.579 -2.379 RESID 256 (G): CA 45.790 45.790 45.335 0.455 RESID 256 (G): H 7.856 7.856 8.552 -0.696 RESID 257 (E): N 120.100 120.100 118.284 1.816 RESID 257 (E): C 176.900 176.900 175.565 1.335 RESID 257 (E): CA 57.880 57.880 56.532 1.348 RESID 257 (E): CB 29.760 29.760 30.484 -0.724 RESID 257 (E): H 8.443 8.443 8.658 -0.215 RESID 258 (S): N 107.500 107.500 113.422 -5.922 RESID 258 (S): C 172.500 172.500 172.535 -0.035 RESID 258 (S): CA 58.010 58.010 59.018 -1.008 RESID 258 (S): CB 66.360 66.360 63.868 2.491 RESID 258 (S): H 7.176 7.176 7.947 -0.771 RESID 259 (L): N 124.900 124.900 127.731 -2.831 RESID 259 (L): C 173.900 173.900 176.415 -2.515 RESID 259 (L): CA 53.630 53.630 54.532 -0.902 RESID 259 (L): CB 46.240 46.240 42.522 3.718 RESID 259 (L): H 8.969 8.969 8.010 0.959 RESID 260 (F): N 123.700 123.700 123.004 0.696 RESID 260 (F): C 174.200 174.200 176.031 -1.831 RESID 260 (F): CA 56.460 56.460 54.910 1.550 RESID 260 (F): CB 41.560 41.560 40.495 1.065 RESID 260 (F): H 9.295 9.295 8.153 1.142 RESID 261 (L): N 123.900 123.900 120.208 3.692 RESID 261 (L): C 177.600 177.600 177.084 0.516 RESID 261 (L): CA 54.010 54.010 53.194 0.816 RESID 261 (L): CB 41.470 41.470 45.491 -4.021 RESID 261 (L): H 9.034 9.034 8.179 0.855 RESID 262 (F): N 123.800 123.800 122.416 1.384 RESID 262 (F): C 175.500 175.500 175.664 -0.164 RESID 262 (F): CA 58.850 58.850 56.876 1.974 RESID 262 (F): CB 39.930 39.930 38.480 1.450 RESID 262 (F): H 9.338 9.338 9.074 0.264 RESID 263 (A): N 121.900 121.900 124.099 -2.199 RESID 263 (A): C 175.300 175.300 177.025 -1.725 RESID 263 (A): CA 53.630 53.630 52.673 0.957 RESID 263 (A): CB 19.700 19.700 16.804 2.896 RESID 263 (A): H 8.902 8.902 8.272 0.630 RESID 264 (G): N 104.500 104.500 111.486 -6.986 RESID 264 (G): C 171.100 171.100 172.730 -1.630 RESID 264 (G): CA 45.540 45.540 45.051 0.489 RESID 264 (G): H 6.746 6.746 7.864 -1.118 RESID 265 (D): N 122.300 122.300 122.705 -0.405 RESID 265 (D): C 177.300 177.300 177.265 0.035 RESID 265 (D): CA 51.660 51.660 52.778 -1.118 RESID 265 (D): CB 42.840 42.840 42.258 0.582 RESID 265 (D): H 9.052 9.052 8.126 0.926 RESID 266 (Q): N 118.400 118.400 119.628 -1.228 RESID 266 (Q): C 177.600 177.600 177.450 0.150 RESID 266 (Q): CA 58.620 58.620 59.070 -0.450 RESID 266 (Q): CB 28.490 28.490 28.647 -0.157 RESID 266 (Q): H 8.277 8.277 8.605 -0.328 RESID 267 (K): N 117.700 117.700 118.798 -1.098 RESID 267 (K): C 180.400 180.400 178.089 2.311 RESID 267 (K): CA 59.390 59.390 59.562 -0.172 RESID 267 (K): CB 31.440 31.440 31.785 -0.345 RESID 267 (K): H 7.879 7.879 7.921 -0.042 RESID 268 (D): N 121.600 121.600 119.647 1.953 RESID 268 (D): C 177.400 177.400 178.340 -0.940 RESID 268 (D): CA 57.980 57.980 56.981 0.999 RESID 268 (D): CB 41.550 41.550 40.253 1.297 RESID 268 (D): H 7.640 7.640 8.132 -0.492 RESID 269 (A): N 121.700 121.700 121.504 0.196 RESID 269 (A): C 179.000 179.000 178.419 0.581 RESID 269 (A): CA 55.640 55.640 54.922 0.718 RESID 269 (A): CB 17.490 17.490 18.194 -0.704 RESID 269 (A): H 7.370 7.370 7.620 -0.250 RESID 270 (D): N 118.200 118.200 118.109 0.091 RESID 270 (D): C 179.300 179.300 176.513 2.787 RESID 270 (D): CA 57.570 57.570 56.302 1.268 RESID 270 (D): CB 39.860 39.860 40.231 -0.371 RESID 270 (D): H 8.735 8.735 7.970 0.765 RESID 271 (A): N 122.900 122.900 119.903 2.997 RESID 271 (A): C 180.800 180.800 179.321 1.479 RESID 271 (A): CA 55.040 55.040 53.557 1.482 RESID 271 (A): CB 18.300 18.300 19.303 -1.003 RESID 271 (A): H 7.579 7.579 7.016 0.563 RESID 272 (I): N 0.000 0.000 120.485 -120.485 RESID 272 (I): C 178.300 178.300 176.957 1.343 RESID 272 (I): CA 63.880 63.880 64.650 -0.770 RESID 272 (I): CB 35.710 35.710 38.130 -2.420 RESID 272 (I): H 7.340 7.340 8.398 -1.058 RESID 273 (Y): N 116.300 116.300 116.967 -0.667 RESID 273 (Y): C 177.000 177.000 176.774 0.226 RESID 273 (Y): CA 61.100 61.100 58.292 2.808 RESID 273 (Y): CB 37.770 37.770 35.832 1.938 RESID 273 (Y): H 7.509 7.509 7.296 0.213 RESID 274 (A): N 118.600 118.600 121.864 -3.264 RESID 274 (A): C 177.200 177.200 177.193 0.007 RESID 274 (A): CA 52.030 52.030 53.006 -0.976 RESID 274 (A): CB 19.580 19.580 19.414 0.166 RESID 274 (A): H 7.495 7.495 7.815 -0.320 RESID 275 (N): N 119.900 119.900 118.246 1.654 RESID 275 (N): C 175.700 175.700 174.011 1.689 RESID 275 (N): CA 51.030 51.030 51.375 -0.345 RESID 275 (N): CB 38.590 38.590 37.011 1.579 RESID 275 (N): H 7.200 7.200 7.959 -0.759 RESID 276 (P): C 178.900 178.900 178.499 0.401 RESID 276 (P): CA 65.190 65.190 65.469 -0.279 RESID 276 (P): CB 32.440 32.440 32.040 0.400 RESID 277 (L): N 116.700 116.700 117.420 -0.720 RESID 277 (L): C 178.000 178.000 178.882 -0.882 RESID 277 (L): CA 56.630 56.630 57.549 -0.919 RESID 277 (L): CB 41.720 41.720 41.500 0.220 RESID 277 (L): H 7.777 7.777 7.929 -0.152 RESID 278 (L): N 115.100 115.100 116.568 -1.468 RESID 278 (L): C 176.600 176.600 177.866 -1.266 RESID 278 (L): CA 53.200 53.200 54.935 -1.735 RESID 278 (L): CB 40.960 40.960 41.314 -0.354 RESID 278 (L): H 7.485 7.485 7.680 -0.195 RESID 279 (A): N 118.600 118.600 123.077 -4.477 RESID 279 (A): C 177.700 177.700 177.804 -0.104 RESID 279 (A): CA 55.090 55.090 54.363 0.727 RESID 279 (A): CB 19.710 19.710 18.607 1.103 RESID 279 (A): H 6.665 6.665 7.896 -1.231 RESID 280 (H): N 111.600 111.600 115.304 -3.704 RESID 280 (H): C 175.500 175.500 175.210 0.290 RESID 280 (H): CA 55.360 55.360 56.246 -0.886 RESID 280 (H): CB 29.540 29.540 28.649 0.891 RESID 280 (H): H 8.337 8.337 8.184 0.153 RESID 281 (L): N 124.100 124.100 122.542 1.558 RESID 281 (L): C 176.300 176.300 175.874 0.426 RESID 281 (L): CA 53.330 53.330 52.988 0.342 RESID 281 (L): CB 40.490 40.490 41.926 -1.436 RESID 281 (L): H 7.289 7.289 7.447 -0.158 RESID 282 (P): C 178.200 178.200 178.383 -0.183 RESID 282 (P): CA 66.050 66.050 65.692 0.358 RESID 282 (P): CB 32.150 32.150 31.717 0.433 RESID 283 (A): N 116.000 116.000 119.195 -3.195 RESID 283 (A): C 179.000 179.000 179.842 -0.842 RESID 283 (A): CA 55.630 55.630 55.194 0.436 RESID 283 (A): CB 19.490 19.490 18.186 1.304 RESID 283 (A): H 7.969 7.969 8.423 -0.454 RESID 284 (V): N 115.200 115.200 118.497 -3.297 RESID 284 (V): C 180.000 180.000 178.926 1.074 RESID 284 (V): CA 65.640 65.640 65.885 -0.245 RESID 284 (V): CB 32.560 32.560 30.820 1.740 RESID 284 (V): H 6.557 6.557 7.680 -1.123 RESID 285 (Q): N 121.200 121.200 120.451 0.749 RESID 285 (Q): C 178.000 178.000 177.652 0.348 RESID 285 (Q): CA 59.500 59.500 58.798 0.702 RESID 285 (Q): CB 29.080 29.080 28.607 0.473 RESID 285 (Q): H 8.581 8.581 7.832 0.749 RESID 286 (N): N 112.600 112.600 113.997 -1.397 RESID 286 (N): C 174.500 174.500 173.853 0.647 RESID 286 (N): CA 53.160 53.160 52.715 0.445 RESID 286 (N): CB 38.390 38.390 38.729 -0.339 RESID 286 (N): H 8.117 8.117 8.033 0.084 RESID 287 (K): N 118.500 118.500 116.402 2.098 RESID 287 (K): C 176.100 176.100 175.888 0.212 RESID 287 (K): CA 57.540 57.540 57.211 0.329 RESID 287 (K): CB 28.570 28.570 29.468 -0.898 RESID 287 (K): H 7.724 7.724 7.700 0.024 RESID 288 (Q): N 119.700 119.700 116.572 3.128 RESID 288 (Q): C 173.700 173.700 173.937 -0.237 RESID 288 (Q): CA 52.970 52.970 54.723 -1.753 RESID 288 (Q): CB 28.640 28.640 29.094 -0.454 RESID 288 (Q): H 8.895 8.895 8.354 0.541 RESID 289 (V): N 119.200 119.200 118.414 0.786 RESID 289 (V): C 175.100 175.100 174.848 0.252 RESID 289 (V): CA 61.600 61.600 60.936 0.664 RESID 289 (V): CB 32.610 32.610 33.546 -0.936 RESID 289 (V): H 6.246 6.246 7.467 -1.221 RESID 290 (Y): N 125.700 125.700 124.044 1.656 RESID 290 (Y): C 174.100 174.100 174.458 -0.358 RESID 290 (Y): CA 56.830 56.830 56.382 0.448 RESID 290 (Y): CB 40.950 40.950 42.789 -1.839 RESID 290 (Y): H 8.682 8.682 8.973 -0.291 RESID 291 (A): N 126.900 126.900 122.058 4.842 RESID 291 (A): C 178.300 178.300 176.778 1.522 RESID 291 (A): CA 51.560 51.560 50.370 1.190 RESID 291 (A): CB 19.670 19.670 21.248 -1.578 RESID 291 (A): H 9.057 9.057 8.657 0.400 RESID 292 (L): N 120.800 120.800 119.818 0.982 RESID 292 (L): C 175.500 175.500 176.232 -0.732 RESID 292 (L): CA 54.880 54.880 54.247 0.633 RESID 292 (L): CB 42.490 42.490 42.275 0.215 RESID 292 (L): H 8.342 8.342 8.918 -0.576 RESID 293 (G): N 107.500 107.500 103.823 3.677 RESID 293 (G): C 177.600 177.600 174.100 3.500 RESID 293 (G): CA 45.110 45.110 44.427 0.683 RESID 293 (G): H 7.973 7.973 7.384 0.589 RESID 294 (T): N 117.800 117.800 116.768 1.032 RESID 294 (T): C 176.400 176.400 176.027 0.373 RESID 294 (T): CA 65.260 65.260 65.227 0.033 RESID 294 (T): CB 68.310 68.310 69.162 -0.852 RESID 294 (T): H 8.808 8.808 8.575 0.233 RESID 295 (E): N 122.100 122.100 120.635 1.465 RESID 295 (E): C 177.700 177.700 176.757 0.943 RESID 295 (E): CA 58.540 58.540 58.346 0.194 RESID 295 (E): CB 29.010 29.010 28.810 0.200 RESID 295 (E): H 10.380 10.380 8.787 1.593 RESID 296 (T): N 103.000 103.000 108.511 -5.511 RESID 296 (T): C 173.600 173.600 174.312 -0.712 RESID 296 (T): CA 62.320 62.320 61.448 0.872 RESID 296 (T): CB 69.170 69.170 67.846 1.324 RESID 296 (T): H 7.062 7.062 7.994 -0.932 RESID 297 (F): N 121.500 121.500 122.990 -1.490 RESID 297 (F): C 174.500 174.500 175.874 -1.374 RESID 297 (F): CA 61.700 61.700 61.003 0.697 RESID 297 (F): CB 39.640 39.640 39.749 -0.109 RESID 297 (F): H 8.108 8.108 7.628 0.480 RESID 298 (R): N 116.800 116.800 119.771 -2.971 RESID 298 (R): C 176.000 176.000 175.115 0.885 RESID 298 (R): CA 54.160 54.160 55.787 -1.627 RESID 298 (R): CB 32.460 32.460 31.117 1.343 RESID 298 (R): H 7.552 7.552 8.250 -0.698 RESID 299 (L): N 125.500 125.500 126.455 -0.955 RESID 299 (L): C 174.800 174.800 174.624 0.176 RESID 299 (L): CA 54.300 54.300 53.989 0.311 RESID 299 (L): CB 41.670 41.670 43.907 -2.237 RESID 299 (L): H 8.903 8.903 8.419 0.484 RESID 300 (D): N 124.600 124.600 124.225 0.375 RESID 300 (D): C 173.400 173.400 175.607 -2.207 RESID 300 (D): CA 51.880 51.880 53.132 -1.252 RESID 300 (D): CB 43.230 43.230 42.527 0.703 RESID 300 (D): H 7.735 7.735 8.735 -1.000 RESID 301 (Y): N 118.100 118.100 121.382 -3.282 RESID 301 (Y): C 175.300 175.300 176.150 -0.850 RESID 301 (Y): CA 61.650 61.650 63.303 -1.653 RESID 301 (Y): CB 38.740 38.740 38.696 0.044 RESID 301 (Y): H 7.943 7.943 8.995 -1.052 RESID 302 (Y): N 112.300 112.300 115.426 -3.126 RESID 302 (Y): C 180.800 180.800 177.623 3.177 RESID 302 (Y): CA 61.970 61.970 60.905 1.065 RESID 302 (Y): CB 37.990 37.990 37.992 -0.002 RESID 302 (Y): H 7.309 7.309 8.118 -0.809 RESID 303 (S): N 119.100 119.100 115.773 3.327 RESID 303 (S): C 176.300 176.300 176.506 -0.206 RESID 303 (S): CA 60.690 60.690 61.540 -0.850 RESID 303 (S): CB 63.180 63.180 62.684 0.496 RESID 303 (S): H 9.411 9.411 9.424 -0.013 RESID 304 (A): N 126.900 126.900 125.514 1.386 RESID 304 (A): C 180.400 180.400 179.361 1.039 RESID 304 (A): CA 56.000 56.000 54.886 1.115 RESID 304 (A): CB 18.040 18.040 17.927 0.113 RESID 304 (A): H 8.860 8.860 7.810 1.050 RESID 305 (M): N 116.600 116.600 118.011 -1.411 RESID 305 (M): C 179.300 179.300 178.880 0.420 RESID 305 (M): CA 57.880 57.880 59.767 -1.887 RESID 305 (M): CB 31.350 31.350 32.384 -1.034 RESID 305 (M): H 7.346 7.346 7.510 -0.164 RESID 306 (Q): N 119.300 119.300 118.773 0.527 RESID 306 (Q): C 179.000 179.000 178.842 0.158 RESID 306 (Q): CA 59.410 59.410 58.880 0.530 RESID 306 (Q): CB 28.450 28.450 28.816 -0.366 RESID 306 (Q): H 7.633 7.633 7.798 -0.165 RESID 308 (L): C 178.700 178.700 178.486 0.214 RESID 308 (L): CA 58.690 58.690 58.415 0.275 RESID 308 (L): CB 41.790 41.790 41.388 0.402 RESID 309 (D): N 119.100 119.100 119.074 0.026 RESID 309 (D): C 179.600 179.600 178.885 0.715 RESID 309 (D): CA 57.830 57.830 57.550 0.280 RESID 309 (D): CB 40.820 40.820 40.333 0.487 RESID 309 (D): H 7.984 7.984 8.042 -0.058 RESID 310 (R): N 121.700 121.700 120.627 1.073 RESID 310 (R): C 178.900 178.900 178.725 0.175 RESID 310 (R): CA 58.590 58.590 59.198 -0.608 RESID 310 (R): CB 29.820 29.820 30.146 -0.326 RESID 310 (R): H 8.463 8.463 7.607 0.856 RESID 311 (L): N 119.200 119.200 119.917 -0.717 RESID 311 (L): C 178.800 178.800 178.728 0.072 RESID 311 (L): CA 58.380 58.380 58.115 0.265 RESID 311 (L): CB 42.340 42.340 41.833 0.507 RESID 311 (L): H 8.489 8.489 8.311 0.178 RESID 312 (K): N 116.500 116.500 118.734 -2.234 RESID 312 (K): C 178.000 178.000 178.414 -0.414 RESID 312 (K): CA 59.250 59.250 59.176 0.074 RESID 312 (K): CB 32.440 32.440 32.494 -0.054 RESID 312 (K): H 7.955 7.955 8.170 -0.215 RESID 313 (A): N 119.500 119.500 120.816 -1.316 RESID 313 (A): C 180.000 180.000 178.654 1.346 RESID 313 (A): CA 53.920 53.920 53.309 0.611 RESID 313 (A): CB 18.800 18.800 19.247 -0.448 RESID 313 (A): H 7.427 7.427 7.753 -0.326 RESID 314 (L): N 119.500 119.500 119.149 0.351 RESID 314 (L): C 177.400 177.400 176.455 0.945 RESID 314 (L): CA 56.770 56.770 57.237 -0.467 RESID 314 (L): CB 43.730 43.730 42.355 1.375 RESID 314 (L): H 7.431 7.431 8.135 -0.704 N HA C CA CB H RESID 26 (W): -3.414 ----- -0.874 0.360 3.261 0.201 RESID 27 (P): ----- ----- -0.026 -0.291 4.928 ----- RESID 28 (R): -3.812 ----- -1.428 0.746 0.768 0.097 RESID 29 (Q): -0.803 ----- 0.560 -1.294 1.440 -0.092 RESID 30 (I): -1.787 ----- 0.612 -0.893 -0.500 1.048 RESID 31 (T): 3.219 ----- 0.714 -1.346 1.056 0.586 RESID 32 (D): 5.667 ----- 1.412 0.742 -0.634 1.434 RESID 33 (S): -4.514 ----- -0.424 0.333 -0.423 -0.203 RESID 34 (R): -2.542 ----- -0.831 -3.523 0.129 0.597 RESID 35 (G): 5.165 ----- -2.291 -0.512 ----- -0.779 RESID 36 (T): 0.426 ----- 0.964 0.065 -0.172 0.537 RESID 37 (H): 0.467 ----- 0.726 -1.355 -2.032 0.355 RESID 38 (T): 3.697 ----- 1.258 2.052 -1.244 1.394 RESID 39 (L): 7.166 ----- 0.017 0.513 -0.961 0.420 RESID 40 (E): -1.485 ----- -0.335 0.248 0.495 0.122 RESID 41 (S): -1.736 ----- -1.481 -0.882 0.593 -0.160 RESID 42 (Q): 3.327 ----- -0.139 -2.082 0.588 -1.277 RESID 43 (P): ----- ----- -0.389 0.732 0.095 ----- RESID 44 (Q): 2.559 ----- -0.626 -1.463 2.875 2.615 RESID 45 (R): 8.170 ----- 0.494 0.063 0.020 2.444 RESID 47 (V): ----- ----- 0.351 -0.275 -0.258 ----- RESID 48 (S): -2.000 ----- 1.909 -1.874 -1.118 -0.649 RESID 49 (T): 4.131 ----- -2.943 0.943 -0.377 -0.364 RESID 50 (S): -0.336 ----- -0.604 -1.985 -0.113 -0.105 RESID 51 (V): 5.220 ----- -2.726 -0.433 -0.205 0.211 RESID 52 (T): 0.854 ----- 3.376 0.470 0.483 -0.179 RESID 53 (L): 1.430 ----- 0.526 -0.742 0.861 -0.499 RESID 54 (T): 1.758 ----- -1.736 -0.664 ----- -0.108 RESID 55 (G): -3.678 ----- -0.176 0.311 ----- -1.279 RESID 56 (S): -0.788 ----- -1.151 1.970 1.975 -1.254 RESID 58 (L): ----- ----- 1.796 -0.263 -0.107 ----- RESID 59 (A): -0.819 ----- -0.309 0.737 -0.321 -0.292 RESID 60 (I): ----- ----- -1.541 0.149 0.468 ----- RESID 61 (D): -2.379 ----- 0.243 0.050 -0.031 0.005 RESID 62 (A): -3.116 ----- 2.691 -0.847 -1.640 0.096 RESID 63 (P): ----- ----- -2.109 0.621 -4.711 ----- RESID 64 (V): 3.864 ----- -0.923 -1.449 -0.779 0.433 RESID 65 (I): -4.372 ----- 1.540 -3.020 1.270 0.212 RESID 66 (A): 4.262 ----- -0.099 0.643 1.428 -0.427 RESID 67 (S): -5.002 ----- 2.180 -2.033 -2.423 0.259 RESID 68 (G): 5.697 ----- -1.607 2.060 ----- -1.115 RESID 69 (A): -3.749 ----- 2.776 -1.224 2.061 -0.754 RESID 70 (T): 6.185 ----- -2.310 -2.735 0.984 1.051 RESID 71 (T): -4.983 ----- -0.437 0.134 1.525 -0.789 RESID 72 (P): ----- ----- 0.980 -0.198 0.730 ----- RESID 73 (N): -4.561 ----- -1.617 0.739 -1.461 -0.703 RESID 74 (N): ----- ----- -1.161 5.016 0.353 ----- RESID 75 (R): -6.349 ----- -0.161 1.074 1.055 -0.289 RESID 76 (V): -10.273 ----- 0.049 -2.946 2.030 -0.827 RESID 77 (A): 5.902 ----- -1.081 -1.043 5.114 0.716 RESID 78 (D): 1.787 ----- 2.209 -0.939 0.368 0.430 RESID 79 (D): 0.868 ----- 0.288 1.080 0.893 -0.150 RESID 80 (Q): -4.339 ----- -1.184 -1.520 2.406 -0.173 RESID 81 (G): -0.025 ----- 0.852 0.945 ----- -0.645 RESID 82 (F): 0.601 ----- -0.435 -4.263 -2.630 0.299 RESID 83 (L): ----- ----- 0.960 0.359 -3.483 ----- RESID 84 (R): 0.304 ----- 0.761 3.451 1.648 -0.684 RESID 85 (Q): -2.595 ----- -2.691 0.218 -3.158 1.861 RESID 86 (W): -6.383 ----- -1.871 -5.145 -2.142 -1.954 RESID 87 (S): 3.942 ----- 1.426 0.575 ----- -1.289 RESID 88 (K): -3.946 ----- 0.171 0.467 -0.096 0.960 RESID 89 (V): 6.305 ----- 0.785 0.082 0.515 -0.658 RESID 90 (A): -0.427 ----- 1.056 1.321 1.311 0.644 RESID 91 (K): -0.441 ----- 3.011 0.986 -0.011 -0.268 RESID 92 (E): 5.061 ----- 1.497 2.272 -0.666 0.473 RESID 93 (R): -3.125 ----- 0.333 0.791 -1.519 -0.277 RESID 94 (K): 1.046 ----- 0.578 -0.646 -1.476 -0.677 RESID 95 (L): -1.796 ----- 0.379 0.905 1.180 0.058 RESID 96 (Q): 0.698 ----- -1.190 0.686 0.281 -0.866 RESID 97 (R): 6.462 ----- 0.578 -1.036 1.620 0.502 RESID 98 (L): 3.502 ----- -0.407 2.432 3.330 -0.441 RESID 99 (Y): -2.078 ----- -1.384 -0.816 -1.003 -1.353 RESID 100 (I): -6.213 ----- -0.348 -1.804 3.585 0.117 RESID 101 (G): 0.862 ----- -0.708 2.209 ----- -0.251 RESID 102 (E): 10.905 ----- -0.784 0.470 2.028 0.286 RESID 103 (P): ----- ----- -0.833 -1.377 -0.087 ----- RESID 104 (S): -5.226 ----- 0.145 -3.158 -0.070 -2.560 RESID 105 (A): 0.249 ----- 0.341 0.744 -0.901 0.331 RESID 106 (E): 0.391 ----- 0.447 1.252 -0.477 0.137 RESID 107 (A): -0.804 ----- 0.318 -0.432 0.846 -0.145 RESID 108 (V): -1.670 ----- -0.937 1.153 0.334 -0.532 RESID 109 (A): -1.982 ----- 1.766 0.528 -0.215 0.071 RESID 110 (A): -0.727 ----- 0.263 -0.248 -0.032 -0.315 RESID 111 (Q): -1.033 ----- -1.042 0.917 -0.227 -0.291 RESID 112 (M): -6.209 ----- 0.060 0.376 -1.447 -0.064 RESID 113 (P): ----- ----- 0.441 0.245 0.336 ----- RESID 114 (D): -2.107 ----- -0.028 -2.055 -1.958 0.619 RESID 115 (L): ----- ----- 0.589 -1.326 ----- ----- RESID 116 (I): -2.644 ----- ----- 0.176 ----- 1.329 RESID 118 (I): ----- ----- -1.050 0.465 1.200 ----- RESID 119 (S): -0.072 ----- 0.555 -0.579 0.690 1.015 RESID 120 (A): 1.489 ----- -0.540 -0.045 1.559 -0.570 RESID 121 (T): -4.101 ----- -0.110 -2.456 1.608 -0.235 RESID 122 (G): -6.551 ----- 3.056 -0.753 ----- 0.157 RESID 123 (G): ----- ----- -0.217 1.035 ----- ----- RESID 124 (D): -2.252 ----- 1.160 -0.601 0.072 0.890 RESID 125 (S): -4.023 ----- 1.720 0.091 0.114 -1.115 RESID 126 (A): 4.827 ----- -1.960 -2.357 -2.243 0.226 RESID 127 (L): -0.008 ----- 0.558 1.446 1.224 -0.795 RESID 128 (A): 3.472 ----- 0.771 0.850 -0.495 1.299 RESID 129 (L): 0.557 ----- -0.895 -1.307 -0.388 0.353 RESID 130 (Y): -0.802 ----- 0.366 1.462 1.040 -1.103 RESID 131 (D): 1.178 ----- -0.082 0.614 0.268 0.912 RESID 132 (Q): -0.920 ----- 0.300 0.202 0.582 -0.133 RESID 133 (L): -0.462 ----- -0.706 0.234 -0.808 -0.440 RESID 134 (S): -3.045 ----- -0.345 0.215 0.735 -0.325 RESID 135 (T): -4.908 ----- -1.314 -2.081 0.660 -0.595 RESID 136 (I): 3.911 ----- 0.221 -0.107 0.289 0.338 RESID 137 (A): 1.877 ----- -1.683 -0.106 -0.163 -0.435 RESID 138 (P): ----- ----- -1.498 1.075 0.058 ----- RESID 139 (T): 2.187 ----- -0.044 -1.542 1.836 -0.182 RESID 140 (L): ----- ----- 0.472 -0.696 0.432 ----- RESID 141 (I): -2.061 ----- 0.913 -0.840 0.865 1.402 RESID 142 (I): 2.244 ----- 0.429 -1.953 -2.574 0.017 RESID 143 (N): 4.882 ----- 0.480 -2.006 0.143 0.701 RESID 144 (Y): -6.046 ----- 1.706 -3.688 -0.144 0.020 RESID 145 (D): 0.784 ----- 1.775 -0.204 3.350 0.445 RESID 146 (D): 4.174 ----- -0.084 -0.373 -1.662 -1.040 RESID 147 (K): -5.734 ----- -0.268 -1.542 -1.797 -0.547 RESID 148 (S): -0.466 ----- -0.389 -0.055 0.718 0.216 RESID 149 (W): 1.752 ----- 2.078 1.315 -0.721 -0.131 RESID 150 (Q): 3.244 ----- 0.275 3.372 -1.194 1.613 RESID 151 (S): 1.120 ----- 0.588 0.551 0.678 0.071 RESID 152 (L): 2.513 ----- 0.548 0.391 0.281 0.062 RESID 153 (L): 0.555 ----- 1.039 1.433 -0.096 0.942 RESID 154 (T): 3.490 ----- 0.309 1.315 0.541 0.121 RESID 155 (Q): 3.512 ----- 1.212 1.371 0.276 0.321 RESID 156 (L): ----- ----- 1.638 0.628 -0.130 ----- RESID 157 (G): 5.781 ----- -0.563 1.791 ----- 1.226 RESID 158 (E): 4.874 ----- 0.664 1.290 0.316 0.013 RESID 160 (T): ----- ----- 2.306 -1.197 2.645 ----- RESID 161 (G): -0.236 ----- 0.459 1.243 ----- -0.876 RESID 162 (H): 5.007 ----- -2.146 -0.463 -3.006 0.673 RESID 163 (E): 1.749 ----- 2.336 1.445 -0.444 1.535 RESID 164 (K): 0.210 ----- -0.088 -0.461 0.308 0.397 RESID 165 (Q): 2.211 ----- 0.668 2.026 -0.264 -0.487 RESID 166 (A): -1.322 ----- -1.429 1.321 0.229 -0.114 RESID 167 (A): -3.029 ----- 1.889 -0.159 -0.303 -1.103 RESID 168 (E): 1.533 ----- 0.470 -0.006 0.453 0.319 RESID 170 (I): ----- ----- -0.009 1.570 1.357 ----- RESID 171 (A): -2.483 ----- 1.359 -0.343 0.141 -0.768 RESID 172 (Q): 2.565 ----- 0.618 0.708 -0.261 0.632 RESID 173 (F): -0.101 ----- -1.006 1.603 0.361 -0.336 RESID 174 (D): 0.897 ----- 1.421 0.541 -0.091 -0.267 RESID 175 (K): 1.070 ----- 1.166 -0.015 0.314 0.024 RESID 176 (Q): 2.081 ----- 0.770 -0.484 -0.534 0.341 RESID 177 (L): 6.004 ----- -0.278 2.660 -0.163 1.198 RESID 178 (A): -1.062 ----- 1.370 0.190 0.089 -0.568 RESID 179 (A): -0.778 ----- 0.716 0.345 -0.408 0.041 RESID 180 (A): -0.028 ----- 0.099 0.745 -0.265 0.173 RESID 181 (K): 0.183 ----- -0.071 0.620 0.698 0.033 RESID 182 (E): -2.127 ----- -0.142 0.763 1.073 -0.580 RESID 183 (Q): -0.699 ----- 1.023 0.230 0.432 -0.176 RESID 184 (I): 1.945 ----- 0.957 3.256 0.338 0.296 RESID 185 (K): 4.796 ----- -0.030 -0.570 -2.918 0.831 RESID 186 (L): -1.048 ----- -0.207 2.353 0.388 -0.430 RESID 188 (P): ----- ----- -1.445 1.471 0.976 ----- RESID 189 (Q): 0.241 ----- 1.879 -2.383 0.954 -0.163 RESID 190 (P): ----- ----- -0.042 0.341 2.636 ----- RESID 191 (V): -9.029 ----- 0.334 0.224 0.332 0.691 RESID 192 (T): 7.383 ----- 0.207 3.511 0.294 0.132 RESID 193 (A): 9.912 ----- -0.012 -0.541 -0.318 1.614 RESID 194 (I): -2.055 ----- 2.899 -0.461 1.818 0.727 RESID 195 (V): -4.283 ----- 2.135 1.808 0.165 -0.146 RESID 196 (Y): 2.722 ----- 0.552 -0.416 1.074 1.009 RESID 197 (T): 1.485 ----- 0.928 0.104 -3.035 0.436 RESID 198 (A): -0.336 ----- 1.234 1.181 0.090 -0.321 RESID 199 (A): -4.765 ----- -1.030 -0.497 0.382 0.304 RESID 200 (A): -3.839 ----- -0.647 -0.811 1.320 -1.459 RESID 201 (H): 0.433 ----- -0.506 0.379 -0.419 -0.192 RESID 202 (S): -3.945 ----- 0.046 -1.066 -0.132 -0.696 RESID 203 (A): -2.930 ----- -0.387 -0.542 2.306 0.310 RESID 204 (N): 0.076 ----- -0.153 -0.550 -2.096 0.105 RESID 205 (L): 5.495 ----- 0.138 0.852 1.553 1.651 RESID 206 (W): 1.646 ----- 0.648 -0.731 -1.137 0.650 RESID 207 (T): 1.853 ----- 2.825 0.869 -1.833 -0.106 RESID 208 (P): ----- ----- -0.855 0.716 -0.216 ----- RESID 209 (E): -2.720 ----- 0.296 0.083 -0.387 -0.348 RESID 210 (S): 0.720 ----- -1.628 -1.138 2.845 0.229 RESID 211 (A): -2.180 ----- 0.757 0.083 -0.231 -0.145 RESID 212 (Q): 0.569 ----- -0.916 2.443 -0.330 0.019 RESID 213 (G): -0.162 ----- -0.914 0.701 ----- -0.240 RESID 214 (Q): -0.815 ----- 0.602 0.278 0.420 0.395 RESID 215 (M): -1.402 ----- -0.375 0.120 -0.792 -0.325 RESID 216 (L): -3.035 ----- 0.870 0.500 -1.440 -0.463 RESID 217 (E): 1.351 ----- 2.942 1.278 -0.271 0.180 RESID 218 (Q): 5.168 ----- -0.771 0.965 -0.256 0.542 RESID 219 (L): 0.683 ----- -2.251 -1.362 1.445 -0.337 RESID 220 (G): 1.909 ----- 1.781 0.061 ----- -0.389 RESID 221 (F): 0.174 ----- 0.854 1.940 -3.861 0.230 RESID 222 (T): 1.573 ----- 0.523 0.570 1.611 0.395 RESID 223 (L): 1.186 ----- 1.651 1.358 -1.135 1.063 RESID 224 (A): -1.312 ----- 1.534 1.460 -2.169 0.973 RESID 225 (K): 2.216 ----- 0.605 0.019 0.180 0.238 RESID 226 (L): -1.816 ----- -0.104 -0.530 0.468 0.113 RESID 227 (P): ----- ----- -0.261 -0.032 0.172 ----- RESID 228 (A): 0.067 ----- 1.023 0.720 0.006 -0.098 RESID 229 (G): 0.205 ----- -0.976 0.613 ----- 0.469 RESID 230 (L): -1.205 ----- -1.459 0.109 0.941 -0.420 RESID 231 (N): -0.463 ----- -0.614 -2.485 0.944 0.183 RESID 232 (A): 4.951 ----- 0.044 1.398 1.308 0.150 RESID 233 (S): -0.015 ----- -0.472 -1.699 0.944 -0.251 RESID 234 (Q): 1.485 ----- 0.727 0.181 -1.332 0.446 RESID 235 (S): -1.025 ----- 0.245 0.021 1.631 -0.214 RESID 236 (Q): -4.826 ----- 1.256 1.109 1.653 -0.477 RESID 237 (G): 1.363 ----- 1.139 0.251 ----- 0.798 RESID 238 (K): -0.966 ----- 1.111 0.471 0.560 -0.391 RESID 239 (R): -4.101 ----- ----- 0.188 0.653 -0.343 RESID 240 (H): ----- ----- -1.711 -2.878 -0.311 ----- RESID 241 (D): 0.571 ----- -1.570 -0.477 -0.667 0.663 RESID 242 (I): 0.179 ----- 1.208 -0.317 2.747 -0.325 RESID 243 (I): -1.052 ----- 1.035 -0.299 2.907 0.230 RESID 244 (Q): 0.869 ----- 1.045 1.536 0.005 0.168 RESID 245 (L): 2.017 ----- -0.413 0.675 0.242 0.292 RESID 246 (G): 4.645 ----- -0.132 -0.452 ----- -0.022 RESID 247 (G): -0.163 ----- 1.817 3.142 ----- 0.929 RESID 248 (E): 2.518 ----- 0.767 1.048 0.101 0.453 RESID 249 (N): 0.228 ----- -0.513 -0.174 0.656 0.331 RESID 250 (L): 1.164 ----- -0.999 1.784 0.763 -0.698 RESID 251 (A): -5.026 ----- 1.332 0.689 -0.428 -0.170 RESID 252 (A): -1.212 ----- 0.781 1.605 0.001 -1.034 RESID 253 (G): -7.305 ----- -2.101 0.360 ----- 0.030 RESID 254 (L): 1.964 ----- -2.278 -1.838 -3.011 -0.588 RESID 255 (N): -7.707 ----- 0.353 -0.581 -1.226 -1.142 RESID 256 (G): 2.517 ----- -2.379 0.455 ----- -0.696 RESID 257 (E): 1.816 ----- 1.335 1.348 -0.724 -0.215 RESID 258 (S): -5.922 ----- -0.035 -1.008 2.491 -0.771 RESID 259 (L): -2.831 ----- -2.515 -0.902 3.718 0.959 RESID 260 (F): 0.696 ----- -1.831 1.550 1.065 1.142 RESID 261 (L): 3.692 ----- 0.516 0.816 -4.021 0.855 RESID 262 (F): 1.384 ----- -0.164 1.974 1.450 0.264 RESID 263 (A): -2.199 ----- -1.725 0.957 2.896 0.630 RESID 264 (G): -6.986 ----- -1.630 0.489 ----- -1.118 RESID 265 (D): -0.405 ----- 0.035 -1.118 0.582 0.926 RESID 266 (Q): -1.228 ----- 0.150 -0.450 -0.157 -0.328 RESID 267 (K): -1.098 ----- 2.311 -0.172 -0.345 -0.042 RESID 268 (D): 1.953 ----- -0.940 0.999 1.297 -0.492 RESID 269 (A): 0.196 ----- 0.581 0.718 -0.704 -0.250 RESID 270 (D): 0.091 ----- 2.787 1.268 -0.371 0.765 RESID 271 (A): 2.997 ----- 1.479 1.482 -1.003 0.563 RESID 272 (I): -120.485 ----- 1.343 -0.770 -2.420 -1.058 RESID 273 (Y): -0.667 ----- 0.226 2.808 1.938 0.213 RESID 274 (A): -3.264 ----- 0.007 -0.976 0.166 -0.320 RESID 275 (N): 1.654 ----- 1.689 -0.345 1.579 -0.759 RESID 276 (P): ----- ----- 0.401 -0.279 0.400 ----- RESID 277 (L): -0.720 ----- -0.882 -0.919 0.220 -0.152 RESID 278 (L): -1.468 ----- -1.266 -1.735 -0.354 -0.195 RESID 279 (A): -4.477 ----- -0.104 0.727 1.103 -1.231 RESID 280 (H): -3.704 ----- 0.290 -0.886 0.891 0.153 RESID 281 (L): 1.558 ----- 0.426 0.342 -1.436 -0.158 RESID 282 (P): ----- ----- -0.183 0.358 0.433 ----- RESID 283 (A): -3.195 ----- -0.842 0.436 1.304 -0.454 RESID 284 (V): -3.297 ----- 1.074 -0.245 1.740 -1.123 RESID 285 (Q): 0.749 ----- 0.348 0.702 0.473 0.749 RESID 286 (N): -1.397 ----- 0.647 0.445 -0.339 0.084 RESID 287 (K): 2.098 ----- 0.212 0.329 -0.898 0.024 RESID 288 (Q): 3.128 ----- -0.237 -1.753 -0.454 0.541 RESID 289 (V): 0.786 ----- 0.252 0.664 -0.936 -1.221 RESID 290 (Y): 1.656 ----- -0.358 0.448 -1.839 -0.291 RESID 291 (A): 4.842 ----- 1.522 1.190 -1.578 0.400 RESID 292 (L): 0.982 ----- -0.732 0.633 0.215 -0.576 RESID 293 (G): 3.677 ----- 3.500 0.683 ----- 0.589 RESID 294 (T): 1.032 ----- 0.373 0.033 -0.852 0.233 RESID 295 (E): 1.465 ----- 0.943 0.194 0.200 1.593 RESID 296 (T): -5.511 ----- -0.712 0.872 1.324 -0.932 RESID 297 (F): -1.490 ----- -1.374 0.697 -0.109 0.480 RESID 298 (R): -2.971 ----- 0.885 -1.627 1.343 -0.698 RESID 299 (L): -0.955 ----- 0.176 0.311 -2.237 0.484 RESID 300 (D): 0.375 ----- -2.207 -1.252 0.703 -1.000 RESID 301 (Y): -3.282 ----- -0.850 -1.653 0.044 -1.052 RESID 302 (Y): -3.126 ----- 3.177 1.065 -0.002 -0.809 RESID 303 (S): 3.327 ----- -0.206 -0.850 0.496 -0.013 RESID 304 (A): 1.386 ----- 1.039 1.115 0.113 1.050 RESID 305 (M): -1.411 ----- 0.420 -1.887 -1.034 -0.164 RESID 306 (Q): 0.527 ----- 0.158 0.530 -0.366 -0.165 RESID 308 (L): ----- ----- 0.214 0.275 0.402 ----- RESID 309 (D): 0.026 ----- 0.715 0.280 0.487 -0.058 RESID 310 (R): 1.073 ----- 0.175 -0.608 -0.326 0.856 RESID 311 (L): -0.717 ----- 0.072 0.265 0.507 0.178 RESID 312 (K): -2.234 ----- -0.414 0.074 -0.054 -0.215 RESID 313 (A): -1.316 ----- 1.346 0.611 -0.448 -0.326 RESID 314 (L): 0.351 ----- 0.945 -0.467 1.375 -0.704 DATA CS_STAT_INFO N RMS: 8.231 ppm Count: 256 Average Difference: 0.472 +/- 8.233 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.224 ppm Count: 281 Average Difference: -0.162 +/- 1.215 ppm DATA CS_STAT_INFO CA RMS: 1.339 ppm Count: 283 Average Difference: -0.100 +/- 1.337 ppm DATA CS_STAT_INFO CB RMS: 1.421 ppm Count: 260 Average Difference: -0.157 +/- 1.415 ppm DATA CS_STAT_INFO HN RMS: 0.719 ppm Count: 256 Average Difference: -0.018 +/- 0.720 ppm ############################################################################ For conformer 4: Atom Original Corrected SPARTA Difference RESID 25 (D): N 120.600 120.600 120.627 -0.027 RESID 25 (D): C 174.400 174.400 175.899 -1.499 RESID 25 (D): CA 55.230 55.230 53.068 2.162 RESID 25 (D): CB 41.340 41.340 41.882 -0.542 RESID 25 (D): H 8.275 8.275 8.210 0.065 RESID 26 (W): N 120.100 120.100 123.586 -3.486 RESID 26 (W): C 174.200 174.200 175.077 -0.877 RESID 26 (W): CA 55.330 55.330 54.987 0.343 RESID 26 (W): CB 31.090 31.090 27.844 3.246 RESID 26 (W): H 7.788 7.788 7.573 0.215 RESID 27 (P): C 175.900 175.900 175.894 0.006 RESID 27 (P): CA 62.800 62.800 63.094 -0.294 RESID 27 (P): CB 37.260 37.260 32.321 4.939 RESID 28 (R): N 118.000 118.000 121.831 -3.831 RESID 28 (R): C 173.700 173.700 175.091 -1.391 RESID 28 (R): CA 55.160 55.160 54.456 0.704 RESID 28 (R): CB 33.430 33.430 32.678 0.752 RESID 28 (R): H 8.686 8.686 8.630 0.056 RESID 29 (Q): N 120.800 120.800 121.595 -0.795 RESID 29 (Q): C 175.500 175.500 174.912 0.588 RESID 29 (Q): CA 54.780 54.780 56.052 -1.272 RESID 29 (Q): CB 30.700 30.700 29.274 1.426 RESID 29 (Q): H 8.506 8.506 8.590 -0.084 RESID 30 (I): N 124.300 124.300 126.065 -1.765 RESID 30 (I): C 175.700 175.700 175.050 0.650 RESID 30 (I): CA 58.520 58.520 59.422 -0.902 RESID 30 (I): CB 40.680 40.680 41.249 -0.569 RESID 30 (I): H 9.002 9.002 7.941 1.061 RESID 31 (T): N 125.200 125.200 121.969 3.231 RESID 31 (T): C 174.400 174.400 173.651 0.749 RESID 31 (T): CA 62.150 62.150 63.437 -1.287 RESID 31 (T): CB 70.640 70.640 69.597 1.043 RESID 31 (T): H 8.989 8.989 8.397 0.592 RESID 32 (D): N 129.500 129.500 123.766 5.734 RESID 32 (D): C 177.400 177.400 175.990 1.410 RESID 32 (D): CA 52.630 52.630 51.817 0.813 RESID 32 (D): CB 42.950 42.950 43.402 -0.452 RESID 32 (D): H 9.389 9.389 7.990 1.399 RESID 33 (S): N 111.900 111.900 116.369 -4.469 RESID 33 (S): C 175.600 175.600 176.167 -0.567 RESID 33 (S): CA 60.920 60.920 60.544 0.376 RESID 33 (S): CB 63.430 63.430 63.805 -0.375 RESID 33 (S): H 8.075 8.075 8.303 -0.228 RESID 34 (R): N 120.600 120.600 122.976 -2.376 RESID 34 (R): C 176.100 176.100 176.738 -0.638 RESID 34 (R): CA 55.020 55.020 58.668 -3.648 RESID 34 (R): CB 30.850 30.850 30.667 0.183 RESID 34 (R): H 8.433 8.433 8.063 0.370 RESID 35 (G): N 108.900 108.900 103.773 5.127 RESID 35 (G): C 171.200 171.200 173.455 -2.255 RESID 35 (G): CA 45.060 45.060 45.576 -0.516 RESID 35 (G): H 7.837 7.837 8.604 -0.767 RESID 36 (T): N 116.300 116.300 115.865 0.435 RESID 36 (T): C 173.800 173.800 172.853 0.947 RESID 36 (T): CA 62.670 62.670 62.579 0.091 RESID 36 (T): CB 70.000 70.000 70.196 -0.196 RESID 36 (T): H 8.192 8.192 7.655 0.537 RESID 37 (H): N 125.800 125.800 125.337 0.463 RESID 37 (H): C 174.000 174.000 173.259 0.741 RESID 37 (H): CA 54.060 54.060 55.373 -1.312 RESID 37 (H): CB 31.020 31.020 33.046 -2.026 RESID 37 (H): H 8.986 8.986 8.622 0.364 RESID 38 (T): N 121.500 121.500 117.496 4.004 RESID 38 (T): C 174.200 174.200 172.856 1.344 RESID 38 (T): CA 63.190 63.190 61.095 2.095 RESID 38 (T): CB 70.080 70.080 71.299 -1.219 RESID 38 (T): H 9.101 9.101 7.586 1.515 RESID 39 (L): N 129.600 129.600 122.470 7.130 RESID 39 (L): C 176.900 176.900 176.817 0.083 RESID 39 (L): CA 53.990 53.990 53.477 0.513 RESID 39 (L): CB 43.160 43.160 44.031 -0.871 RESID 39 (L): H 9.145 9.145 8.719 0.426 RESID 40 (E): N 124.300 124.300 125.966 -1.666 RESID 40 (E): C 175.600 175.600 175.924 -0.324 RESID 40 (E): CA 59.420 59.420 59.115 0.305 RESID 40 (E): CB 30.710 30.710 30.229 0.481 RESID 40 (E): H 9.164 9.164 9.033 0.131 RESID 41 (S): N 108.300 108.300 110.188 -1.888 RESID 41 (S): C 171.700 171.700 173.193 -1.493 RESID 41 (S): CA 56.270 56.270 57.167 -0.897 RESID 41 (S): CB 65.420 65.420 64.799 0.621 RESID 41 (S): H 7.326 7.326 7.486 -0.160 RESID 42 (Q): N 123.900 123.900 120.578 3.322 RESID 42 (Q): C 174.600 174.600 174.755 -0.155 RESID 42 (Q): CA 53.730 53.730 55.738 -2.008 RESID 42 (Q): CB 28.470 28.470 27.925 0.545 RESID 42 (Q): H 7.339 7.339 8.599 -1.260 RESID 43 (P): C 176.300 176.300 176.667 -0.367 RESID 43 (P): CA 64.080 64.080 63.295 0.784 RESID 43 (P): CB 32.510 32.510 32.436 0.074 RESID 44 (Q): N 125.100 125.100 122.441 2.659 RESID 44 (Q): C 175.400 175.400 176.033 -0.633 RESID 44 (Q): CA 55.780 55.780 57.298 -1.518 RESID 44 (Q): CB 32.660 32.660 29.753 2.907 RESID 44 (Q): H 11.160 11.160 8.541 2.619 RESID 45 (R): N 125.700 125.700 117.452 8.248 RESID 45 (R): C 174.600 174.600 174.113 0.487 RESID 45 (R): CA 55.310 55.310 55.238 0.072 RESID 45 (R): CB 33.070 33.070 33.055 0.015 RESID 45 (R): H 10.010 10.010 7.572 2.438 RESID 47 (V): C 174.700 174.700 174.347 0.353 RESID 47 (V): CA 60.970 60.970 61.242 -0.272 RESID 47 (V): CB 34.140 34.140 34.418 -0.278 RESID 48 (S): N 118.300 118.300 120.276 -1.976 RESID 48 (S): C 175.500 175.500 173.577 1.923 RESID 48 (S): CA 55.700 55.700 57.582 -1.882 RESID 48 (S): CB 64.750 64.750 65.852 -1.102 RESID 48 (S): H 7.852 7.852 8.509 -0.657 RESID 49 (T): N 116.800 116.800 112.667 4.133 RESID 49 (T): C 171.500 171.500 174.446 -2.946 RESID 49 (T): CA 62.400 62.400 61.447 0.953 RESID 49 (T): CB 69.320 69.320 69.702 -0.382 RESID 49 (T): H 8.283 8.283 8.647 -0.364 RESID 50 (S): N 116.200 116.200 116.556 -0.356 RESID 50 (S): C 174.600 174.600 175.199 -0.599 RESID 50 (S): CA 54.640 54.640 56.629 -1.989 RESID 50 (S): CB 64.000 64.000 64.104 -0.104 RESID 50 (S): H 7.627 7.627 7.736 -0.109 RESID 51 (V): N 134.300 134.300 129.067 5.233 RESID 51 (V): C 175.100 175.100 177.826 -2.726 RESID 51 (V): CA 65.620 65.620 66.054 -0.434 RESID 51 (V): CB 31.790 31.790 31.996 -0.206 RESID 51 (V): H 9.218 9.218 9.000 0.218 RESID 52 (T): N 117.000 117.000 116.176 0.824 RESID 52 (T): C 179.700 179.700 176.315 3.385 RESID 52 (T): CA 67.390 67.390 66.931 0.459 RESID 52 (T): CB 69.130 69.130 68.645 0.485 RESID 52 (T): H 7.841 7.841 8.019 -0.178 RESID 53 (L): N 123.400 123.400 121.960 1.440 RESID 53 (L): C 178.700 178.700 178.173 0.527 RESID 53 (L): CA 57.460 57.460 58.196 -0.736 RESID 53 (L): CB 42.610 42.610 41.747 0.863 RESID 53 (L): H 8.092 8.092 8.590 -0.498 RESID 54 (T): N 117.500 117.500 115.736 1.764 RESID 54 (T): C 174.900 174.900 176.640 -1.740 RESID 54 (T): CA 67.070 67.070 67.735 -0.665 RESID 54 (T): H 8.039 8.039 8.137 -0.098 RESID 55 (G): N 105.500 105.500 109.179 -3.679 RESID 55 (G): C 175.600 175.600 175.781 -0.181 RESID 55 (G): CA 47.260 47.260 46.951 0.309 RESID 55 (G): H 6.591 6.591 7.873 -1.282 RESID 56 (S): N 117.000 117.000 117.784 -0.784 RESID 56 (S): C 175.600 175.600 176.753 -1.153 RESID 56 (S): CA 63.400 63.400 61.438 1.962 RESID 56 (S): CB 65.060 65.060 63.087 1.973 RESID 56 (S): H 6.709 6.709 7.963 -1.254 RESID 58 (L): C 181.200 181.200 179.411 1.789 RESID 58 (L): CA 57.480 57.480 57.741 -0.261 RESID 58 (L): CB 40.810 40.810 40.908 -0.098 RESID 59 (A): N 122.100 122.100 122.903 -0.803 RESID 59 (A): C 178.500 178.500 178.812 -0.312 RESID 59 (A): CA 55.540 55.540 54.802 0.738 RESID 59 (A): CB 18.440 18.440 18.767 -0.327 RESID 59 (A): H 7.797 7.797 8.083 -0.286 RESID 60 (I): C 172.700 172.700 174.245 -1.545 RESID 60 (I): CA 60.390 60.390 60.246 0.144 RESID 60 (I): CB 37.930 37.930 37.462 0.467 RESID 61 (D): N 116.200 116.200 118.549 -2.349 RESID 61 (D): C 174.800 174.800 174.551 0.249 RESID 61 (D): CA 55.850 55.850 55.803 0.047 RESID 61 (D): CB 38.930 38.930 38.967 -0.037 RESID 61 (D): H 7.736 7.736 7.728 0.008 RESID 62 (A): N 118.900 118.900 122.008 -3.108 RESID 62 (A): C 176.800 176.800 174.105 2.695 RESID 62 (A): CA 50.040 50.040 50.886 -0.846 RESID 62 (A): CB 17.940 17.940 19.582 -1.643 RESID 62 (A): H 7.820 7.820 7.725 0.095 RESID 63 (P): C 173.600 173.600 175.705 -2.105 RESID 63 (P): CA 63.250 63.250 62.620 0.630 RESID 63 (P): CB 27.640 27.640 32.350 -4.710 RESID 64 (V): N 123.100 123.100 119.236 3.864 RESID 64 (V): C 174.800 174.800 175.721 -0.921 RESID 64 (V): CA 58.420 58.420 59.876 -1.456 RESID 64 (V): CB 33.300 33.300 34.086 -0.786 RESID 64 (V): H 8.299 8.299 7.866 0.433 RESID 65 (I): N 122.000 122.000 126.348 -4.348 RESID 65 (I): C 177.100 177.100 175.553 1.547 RESID 65 (I): CA 61.010 61.010 64.032 -3.022 RESID 65 (I): CB 39.480 39.480 38.207 1.273 RESID 65 (I): H 8.589 8.589 8.370 0.219 RESID 66 (A): N 120.700 120.700 116.412 4.288 RESID 66 (A): C 175.100 175.100 175.195 -0.095 RESID 66 (A): CA 51.300 51.300 50.644 0.656 RESID 66 (A): CB 22.980 22.980 21.500 1.480 RESID 66 (A): H 7.246 7.246 7.663 -0.417 RESID 67 (S): N 111.700 111.700 116.812 -5.112 RESID 67 (S): C 176.500 176.500 174.225 2.275 RESID 67 (S): CA 55.230 55.230 57.305 -2.075 RESID 67 (S): CB 65.300 65.300 67.713 -2.413 RESID 67 (S): H 8.561 8.561 8.329 0.232 RESID 68 (G): N 112.900 112.900 107.316 5.584 RESID 68 (G): C 171.000 171.000 172.612 -1.612 RESID 68 (G): CA 46.580 46.580 44.531 2.049 RESID 68 (G): H 7.604 7.604 8.652 -1.048 RESID 69 (A): N 122.300 122.300 126.061 -3.761 RESID 69 (A): C 177.900 177.900 175.116 2.784 RESID 69 (A): CA 51.280 51.280 52.498 -1.218 RESID 69 (A): CB 23.440 23.440 21.387 2.053 RESID 69 (A): H 7.402 7.402 8.179 -0.777 RESID 70 (T): N 119.600 119.600 113.375 6.225 RESID 70 (T): C 171.400 171.400 173.709 -2.309 RESID 70 (T): CA 58.150 58.150 60.863 -2.713 RESID 70 (T): CB 70.880 70.880 69.912 0.968 RESID 70 (T): H 9.171 9.171 8.113 1.058 RESID 71 (T): N 116.500 116.500 121.400 -4.900 RESID 71 (T): C 172.500 172.500 172.935 -0.435 RESID 71 (T): CA 61.680 61.680 61.552 0.128 RESID 71 (T): CB 70.490 70.490 68.963 1.526 RESID 71 (T): H 7.663 7.663 8.449 -0.786 RESID 72 (P): C 177.100 177.100 176.118 0.982 RESID 72 (P): CA 63.390 63.390 63.584 -0.194 RESID 72 (P): CB 32.940 32.940 32.208 0.732 RESID 73 (N): N 115.200 115.200 119.779 -4.579 RESID 73 (N): C 174.600 174.600 176.215 -1.615 RESID 73 (N): CA 54.570 54.570 53.834 0.736 RESID 73 (N): CB 37.020 37.020 38.477 -1.457 RESID 73 (N): H 7.990 7.990 8.692 -0.702 RESID 74 (N): C 175.800 175.800 176.986 -1.186 RESID 74 (N): CA 60.660 60.660 55.657 5.003 RESID 74 (N): CB 38.070 38.070 37.733 0.338 RESID 75 (R): N 114.600 114.600 120.959 -6.359 RESID 75 (R): C 177.400 177.400 177.551 -0.151 RESID 75 (R): CA 59.940 59.940 58.861 1.079 RESID 75 (R): CB 31.110 31.110 30.050 1.060 RESID 75 (R): H 8.049 8.049 8.335 -0.286 RESID 76 (V): N 107.100 107.100 117.310 -10.210 RESID 76 (V): C 176.000 176.000 175.953 0.047 RESID 76 (V): CA 61.110 61.110 64.037 -2.927 RESID 76 (V): CB 33.590 33.590 31.557 2.033 RESID 76 (V): H 7.356 7.356 8.183 -0.827 RESID 77 (A): N 126.900 126.900 121.077 5.823 RESID 77 (A): C 176.500 176.500 177.568 -1.068 RESID 77 (A): CA 51.390 51.390 52.421 -1.031 RESID 77 (A): CB 24.260 24.260 19.138 5.122 RESID 77 (A): H 7.873 7.873 7.159 0.714 RESID 78 (D): N 118.700 118.700 116.911 1.789 RESID 78 (D): C 178.100 178.100 175.889 2.211 RESID 78 (D): CA 51.970 51.970 52.907 -0.937 RESID 78 (D): CB 41.360 41.360 40.993 0.367 RESID 78 (D): H 8.607 8.607 8.177 0.430 RESID 79 (D): N 116.600 116.600 115.736 0.864 RESID 79 (D): C 176.400 176.400 176.112 0.288 RESID 79 (D): CA 56.030 56.030 54.950 1.080 RESID 79 (D): CB 40.100 40.100 39.211 0.889 RESID 79 (D): H 8.258 8.258 8.409 -0.151 RESID 80 (Q): N 117.200 117.200 121.543 -4.343 RESID 80 (Q): C 175.700 175.700 176.882 -1.182 RESID 80 (Q): CA 54.970 54.970 56.487 -1.518 RESID 80 (Q): CB 30.840 30.840 28.441 2.399 RESID 80 (Q): H 8.160 8.160 8.334 -0.174 RESID 81 (G): N 105.300 105.300 105.325 -0.025 RESID 81 (G): C 174.200 174.200 173.348 0.852 RESID 81 (G): CA 45.740 45.740 44.792 0.948 RESID 81 (G): H 7.419 7.419 8.061 -0.642 RESID 82 (F): N 121.700 121.700 121.113 0.587 RESID 82 (F): C 175.300 175.300 175.735 -0.435 RESID 82 (F): CA 52.530 52.530 56.772 -4.242 RESID 82 (F): CB 37.430 37.430 40.032 -2.602 RESID 82 (F): H 8.154 8.154 7.851 0.303 RESID 83 (L): C 178.400 178.400 177.438 0.962 RESID 83 (L): CA 55.550 55.550 55.189 0.361 RESID 83 (L): CB 38.480 38.480 41.952 -3.472 RESID 84 (R): N 119.000 119.000 118.675 0.325 RESID 84 (R): C 178.300 178.300 177.531 0.769 RESID 84 (R): CA 60.690 60.690 57.218 3.472 RESID 84 (R): CB 31.530 31.530 29.879 1.651 RESID 84 (R): H 7.746 7.746 8.431 -0.685 RESID 85 (Q): N 116.400 116.400 119.008 -2.608 RESID 85 (Q): C 174.700 174.700 177.383 -2.683 RESID 85 (Q): CA 58.200 58.200 57.986 0.214 RESID 85 (Q): CB 26.140 26.140 29.299 -3.159 RESID 85 (Q): H 9.838 9.838 7.969 1.869 RESID 86 (W): N 115.600 115.600 121.974 -6.374 RESID 86 (W): C 175.900 175.900 177.766 -1.866 RESID 86 (W): CA 55.320 55.320 60.452 -5.132 RESID 86 (W): CB 27.470 27.470 29.608 -2.138 RESID 86 (W): H 6.600 6.600 8.557 -1.957 RESID 87 (S): N 118.500 118.500 114.559 3.941 RESID 87 (S): C 177.300 177.300 175.869 1.431 RESID 87 (S): CA 62.340 62.340 61.787 0.553 RESID 87 (S): H 7.067 7.067 8.361 -1.294 RESID 88 (K): N 118.300 118.300 122.247 -3.947 RESID 88 (K): C 179.000 179.000 178.826 0.174 RESID 88 (K): CA 59.970 59.970 59.504 0.466 RESID 88 (K): CB 32.380 32.380 32.477 -0.097 RESID 88 (K): H 8.615 8.615 7.649 0.966 RESID 89 (V): N 120.600 120.600 114.295 6.305 RESID 89 (V): C 178.100 178.100 177.302 0.798 RESID 89 (V): CA 65.530 65.530 65.453 0.077 RESID 89 (V): CB 32.180 32.180 31.668 0.513 RESID 89 (V): H 7.089 7.089 7.763 -0.674 RESID 90 (A): N 120.700 120.700 121.123 -0.423 RESID 90 (A): C 180.000 180.000 178.940 1.060 RESID 90 (A): CA 55.490 55.490 54.155 1.335 RESID 90 (A): CB 19.130 19.130 17.808 1.323 RESID 90 (A): H 7.979 7.979 7.329 0.650 RESID 91 (K): N 117.600 117.600 118.052 -0.452 RESID 91 (K): C 180.900 180.900 177.887 3.013 RESID 91 (K): CA 59.830 59.830 58.848 0.982 RESID 91 (K): CB 32.700 32.700 32.709 -0.009 RESID 91 (K): H 7.844 7.844 8.111 -0.267 RESID 92 (E): N 122.300 122.300 117.225 5.075 RESID 92 (E): C 178.600 178.600 177.094 1.506 RESID 92 (E): CA 59.590 59.590 57.306 2.284 RESID 92 (E): CB 29.740 29.740 30.408 -0.668 RESID 92 (E): H 8.178 8.178 7.705 0.473 RESID 93 (R): N 115.300 115.300 118.438 -3.138 RESID 93 (R): C 175.000 175.000 174.668 0.332 RESID 93 (R): CA 56.320 56.320 55.533 0.787 RESID 93 (R): CB 29.390 29.390 30.915 -1.525 RESID 93 (R): H 7.776 7.776 8.050 -0.274 RESID 94 (K): N 116.800 116.800 114.996 1.804 RESID 94 (K): C 176.400 176.400 175.719 0.681 RESID 94 (K): CA 56.950 56.950 57.605 -0.655 RESID 94 (K): CB 28.870 28.870 30.285 -1.415 RESID 94 (K): H 7.697 7.697 8.401 -0.704 RESID 95 (L): N 120.600 120.600 121.750 -1.150 RESID 95 (L): C 177.200 177.200 176.918 0.282 RESID 95 (L): CA 56.710 56.710 55.940 0.770 RESID 95 (L): CB 43.480 43.480 42.467 1.013 RESID 95 (L): H 7.708 7.708 7.629 0.079 RESID 96 (Q): N 124.900 124.900 124.535 0.365 RESID 96 (Q): C 175.000 175.000 175.975 -0.975 RESID 96 (Q): CA 55.570 55.570 54.969 0.601 RESID 96 (Q): CB 30.080 30.080 29.738 0.342 RESID 96 (Q): H 7.526 7.526 8.408 -0.882 RESID 97 (R): N 126.000 126.000 119.518 6.482 RESID 97 (R): C 176.800 176.800 176.217 0.583 RESID 97 (R): CA 55.610 55.610 56.663 -1.053 RESID 97 (R): CB 31.840 31.840 30.222 1.618 RESID 97 (R): H 9.039 9.039 8.537 0.502 RESID 98 (L): N 126.500 126.500 122.966 3.534 RESID 98 (L): C 175.400 175.400 175.796 -0.396 RESID 98 (L): CA 56.610 56.610 54.157 2.454 RESID 98 (L): CB 47.140 47.140 43.835 3.305 RESID 98 (L): H 8.247 8.247 8.709 -0.462 RESID 99 (Y): N 110.000 110.000 112.018 -2.018 RESID 99 (Y): C 173.200 173.200 174.584 -1.384 RESID 99 (Y): CA 55.320 55.320 56.164 -0.844 RESID 99 (Y): CB 38.350 38.350 39.333 -0.983 RESID 99 (Y): H 6.465 6.465 7.825 -1.360 RESID 100 (I): N 120.000 120.000 126.205 -6.205 RESID 100 (I): C 176.800 176.800 177.150 -0.350 RESID 100 (I): CA 61.290 61.290 63.092 -1.802 RESID 100 (I): CB 39.980 39.980 36.388 3.592 RESID 100 (I): H 8.725 8.725 8.633 0.092 RESID 101 (G): N 114.800 114.800 113.937 0.863 RESID 101 (G): C 173.400 173.400 174.098 -0.698 RESID 101 (G): CA 47.030 47.030 44.822 2.208 RESID 101 (G): H 8.224 8.224 8.496 -0.272 RESID 102 (E): N 129.600 129.600 118.688 10.912 RESID 102 (E): C 173.700 173.700 174.485 -0.785 RESID 102 (E): CA 54.480 54.480 54.012 0.468 RESID 102 (E): CB 29.790 29.790 27.762 2.028 RESID 102 (E): H 8.294 8.294 8.008 0.286 RESID 103 (P): C 175.400 175.400 176.228 -0.828 RESID 103 (P): CA 62.040 62.040 63.414 -1.374 RESID 103 (P): CB 32.570 32.570 32.659 -0.089 RESID 104 (S): N 111.900 111.900 117.101 -5.201 RESID 104 (S): C 174.800 174.800 174.644 0.156 RESID 104 (S): CA 55.340 55.340 58.498 -3.158 RESID 104 (S): CB 64.330 64.330 64.407 -0.077 RESID 104 (S): H 5.412 5.412 7.968 -2.556 RESID 105 (A): N 130.200 130.200 129.940 0.260 RESID 105 (A): C 179.400 179.400 179.060 0.340 RESID 105 (A): CA 55.070 55.070 54.322 0.748 RESID 105 (A): CB 18.210 18.210 19.109 -0.899 RESID 105 (A): H 9.211 9.211 8.880 0.331 RESID 106 (E): N 119.800 119.800 119.425 0.375 RESID 106 (E): C 179.300 179.300 178.855 0.445 RESID 106 (E): CA 60.270 60.270 59.020 1.250 RESID 106 (E): CB 28.990 28.990 29.465 -0.475 RESID 106 (E): H 8.731 8.731 8.589 0.142 RESID 107 (A): N 121.600 121.600 122.397 -0.797 RESID 107 (A): C 180.100 180.100 179.780 0.320 RESID 107 (A): CA 54.650 54.650 55.083 -0.433 RESID 107 (A): CB 19.220 19.220 18.370 0.850 RESID 107 (A): H 7.682 7.682 7.849 -0.167 RESID 108 (V): N 116.600 116.600 118.280 -1.680 RESID 108 (V): C 177.700 177.700 178.637 -0.937 RESID 108 (V): CA 66.920 66.920 65.779 1.141 RESID 108 (V): CB 31.430 31.430 31.097 0.333 RESID 108 (V): H 7.015 7.015 7.548 -0.533 RESID 109 (A): N 121.400 121.400 123.363 -1.963 RESID 109 (A): C 181.100 181.100 179.352 1.748 RESID 109 (A): CA 55.540 55.540 55.007 0.533 RESID 109 (A): CB 17.900 17.900 18.121 -0.221 RESID 109 (A): H 8.262 8.262 8.175 0.087 RESID 110 (A): N 118.800 118.800 119.536 -0.736 RESID 110 (A): C 178.900 178.900 178.638 0.262 RESID 110 (A): CA 54.300 54.300 54.547 -0.247 RESID 110 (A): CB 18.460 18.460 18.497 -0.037 RESID 110 (A): H 7.607 7.607 7.915 -0.308 RESID 111 (Q): N 113.500 113.500 114.548 -1.048 RESID 111 (Q): C 174.900 174.900 175.935 -1.035 RESID 111 (Q): CA 55.160 55.160 54.232 0.928 RESID 111 (Q): CB 28.450 28.450 28.634 -0.184 RESID 111 (Q): H 7.148 7.148 7.440 -0.292 RESID 112 (M): N 114.700 114.700 120.951 -6.251 RESID 112 (M): C 173.300 173.300 173.255 0.045 RESID 112 (M): CA 55.900 55.900 55.533 0.367 RESID 112 (M): CB 30.300 30.300 31.758 -1.458 RESID 112 (M): H 7.882 7.882 7.917 -0.035 RESID 113 (P): C 176.700 176.700 176.302 0.398 RESID 113 (P): CA 62.820 62.820 62.527 0.293 RESID 113 (P): CB 33.340 33.340 33.042 0.298 RESID 114 (D): N 115.800 115.800 117.911 -2.111 RESID 114 (D): C 175.900 175.900 175.938 -0.038 RESID 114 (D): CA 53.150 53.150 55.279 -2.128 RESID 114 (D): CB 40.990 40.990 42.874 -1.884 RESID 114 (D): H 8.850 8.850 8.214 0.636 RESID 115 (L): C 174.900 174.900 174.326 0.574 RESID 115 (L): CA 52.800 52.800 54.110 -1.310 RESID 116 (I): N 123.500 123.500 126.132 -2.632 RESID 116 (I): CA 60.270 60.270 60.086 0.184 RESID 116 (I): H 9.340 9.340 8.098 1.242 RESID 118 (I): C 174.400 174.400 175.439 -1.039 RESID 118 (I): CA 60.250 60.250 59.777 0.473 RESID 118 (I): CB 42.610 42.610 41.398 1.212 RESID 119 (S): N 121.600 121.600 121.610 -0.010 RESID 119 (S): C 175.700 175.700 175.071 0.629 RESID 119 (S): CA 57.150 57.150 57.782 -0.632 RESID 119 (S): CB 65.280 65.280 64.556 0.724 RESID 119 (S): H 9.575 9.575 8.573 1.002 RESID 120 (A): N 126.000 126.000 124.734 1.266 RESID 120 (A): C 176.900 176.900 177.448 -0.548 RESID 120 (A): CA 54.300 54.300 54.347 -0.047 RESID 120 (A): CB 20.530 20.530 19.035 1.495 RESID 120 (A): H 8.143 8.143 8.683 -0.540 RESID 121 (T): N 106.400 106.400 110.118 -3.718 RESID 121 (T): C 173.000 173.000 173.386 -0.386 RESID 121 (T): CA 59.450 59.450 61.905 -2.455 RESID 121 (T): CB 72.310 72.310 70.619 1.691 RESID 121 (T): H 7.617 7.617 7.996 -0.379 RESID 122 (G): N 104.200 104.200 111.396 -7.196 RESID 122 (G): C 177.200 177.200 174.179 3.021 RESID 122 (G): CA 44.430 44.430 45.209 -0.778 RESID 122 (G): H 7.998 7.998 7.883 0.115 RESID 123 (G): C 174.100 174.100 174.323 -0.223 RESID 123 (G): CA 46.710 46.710 45.677 1.033 RESID 124 (D): N 116.900 116.900 119.155 -2.255 RESID 124 (D): C 176.900 176.900 175.725 1.175 RESID 124 (D): CA 52.320 52.320 52.906 -0.586 RESID 124 (D): CB 40.690 40.690 40.645 0.045 RESID 124 (D): H 8.617 8.617 7.727 0.890 RESID 125 (S): N 115.100 115.100 119.062 -3.962 RESID 125 (S): C 176.900 176.900 175.166 1.734 RESID 125 (S): CA 58.750 58.750 58.649 0.101 RESID 125 (S): CB 64.190 64.190 64.072 0.118 RESID 125 (S): H 7.322 7.322 8.437 -1.115 RESID 126 (A): N 134.900 134.900 130.105 4.795 RESID 126 (A): C 176.700 176.700 178.656 -1.956 RESID 126 (A): CA 51.150 51.150 53.510 -2.360 RESID 126 (A): CB 16.850 16.850 19.086 -2.236 RESID 126 (A): H 8.837 8.837 8.635 0.202 RESID 127 (L): N 121.000 121.000 121.026 -0.026 RESID 127 (L): C 178.900 178.900 178.333 0.567 RESID 127 (L): CA 58.730 58.730 57.264 1.466 RESID 127 (L): CB 42.840 42.840 41.616 1.224 RESID 127 (L): H 7.353 7.353 8.159 -0.806 RESID 128 (A): N 121.600 121.600 118.100 3.500 RESID 128 (A): C 178.900 178.900 178.098 0.802 RESID 128 (A): CA 55.010 55.010 54.151 0.859 RESID 128 (A): CB 18.200 18.200 18.698 -0.498 RESID 128 (A): H 8.918 8.918 7.619 1.299 RESID 129 (L): N 116.800 116.800 116.092 0.708 RESID 129 (L): C 177.000 177.000 177.848 -0.848 RESID 129 (L): CA 53.930 53.930 55.219 -1.289 RESID 129 (L): CB 42.710 42.710 43.133 -0.423 RESID 129 (L): H 7.776 7.776 7.425 0.351 RESID 130 (Y): N 122.000 122.000 122.867 -0.867 RESID 130 (Y): C 177.100 177.100 176.737 0.363 RESID 130 (Y): CA 64.420 64.420 62.931 1.488 RESID 130 (Y): CB 39.470 39.470 38.451 1.019 RESID 130 (Y): H 7.891 7.891 8.981 -1.090 RESID 131 (D): N 119.000 119.000 117.865 1.135 RESID 131 (D): C 178.300 178.300 178.391 -0.091 RESID 131 (D): CA 58.040 58.040 57.434 0.606 RESID 131 (D): CB 39.660 39.660 39.395 0.265 RESID 131 (D): H 9.014 9.014 8.104 0.910 RESID 132 (Q): N 118.900 118.900 119.868 -0.968 RESID 132 (Q): C 179.100 179.100 178.882 0.218 RESID 132 (Q): CA 58.930 58.930 58.570 0.360 RESID 132 (Q): CB 29.320 29.320 28.764 0.556 RESID 132 (Q): H 7.814 7.814 7.975 -0.161 RESID 133 (L): N 119.700 119.700 120.204 -0.504 RESID 133 (L): C 177.900 177.900 178.603 -0.703 RESID 133 (L): CA 57.910 57.910 57.695 0.215 RESID 133 (L): CB 40.980 40.980 41.784 -0.804 RESID 133 (L): H 8.450 8.450 8.804 -0.354 RESID 134 (S): N 111.800 111.800 114.716 -2.916 RESID 134 (S): C 175.500 175.500 176.083 -0.583 RESID 134 (S): CA 61.160 61.160 61.345 -0.185 RESID 134 (S): CB 63.450 63.450 62.737 0.713 RESID 134 (S): H 8.128 8.128 8.472 -0.344 RESID 135 (T): N 111.100 111.100 116.020 -4.920 RESID 135 (T): C 175.300 175.300 176.624 -1.324 RESID 135 (T): CA 63.230 63.230 65.312 -2.082 RESID 135 (T): CB 69.670 69.670 69.014 0.656 RESID 135 (T): H 6.953 6.953 7.556 -0.603 RESID 136 (I): N 124.400 124.400 120.501 3.899 RESID 136 (I): C 175.800 175.800 175.579 0.221 RESID 136 (I): CA 63.940 63.940 64.017 -0.078 RESID 136 (I): CB 38.870 38.870 38.569 0.301 RESID 136 (I): H 7.694 7.694 7.361 0.333 RESID 137 (A): N 120.500 120.500 118.629 1.871 RESID 137 (A): C 172.300 172.300 173.988 -1.688 RESID 137 (A): CA 50.470 50.470 50.569 -0.099 RESID 137 (A): CB 19.320 19.320 19.490 -0.170 RESID 137 (A): H 7.540 7.540 7.972 -0.432 RESID 138 (P): C 174.700 174.700 176.148 -1.448 RESID 138 (P): CA 64.700 64.700 63.648 1.052 RESID 138 (P): CB 31.610 31.610 31.479 0.131 RESID 139 (T): N 122.000 122.000 119.760 2.240 RESID 139 (T): C 173.900 173.900 173.905 -0.005 RESID 139 (T): CA 61.630 61.630 63.114 -1.484 RESID 139 (T): CB 71.540 71.540 69.701 1.839 RESID 139 (T): H 7.990 7.990 8.146 -0.156 RESID 140 (L): C 174.900 174.900 174.295 0.605 RESID 140 (L): CA 52.740 52.740 53.474 -0.734 RESID 140 (L): CB 46.680 46.680 46.192 0.488 RESID 141 (I): N 123.500 123.500 125.343 -1.843 RESID 141 (I): C 175.700 175.700 174.682 1.018 RESID 141 (I): CA 60.250 60.250 61.088 -0.838 RESID 141 (I): CB 39.590 39.590 38.705 0.885 RESID 141 (I): H 9.345 9.345 7.882 1.463 RESID 142 (I): N 129.000 129.000 127.035 1.965 RESID 142 (I): C 174.400 174.400 174.187 0.213 RESID 142 (I): CA 57.930 57.930 59.828 -1.898 RESID 142 (I): CB 39.690 39.690 42.224 -2.534 RESID 142 (I): H 9.030 9.030 9.005 0.025 RESID 143 (N): N 129.100 129.100 124.372 4.728 RESID 143 (N): C 174.700 174.700 174.181 0.519 RESID 143 (N): CA 51.390 51.390 53.331 -1.941 RESID 143 (N): CB 39.720 39.720 39.617 0.103 RESID 143 (N): H 9.388 9.388 8.662 0.726 RESID 144 (Y): N 119.900 119.900 126.296 -6.396 RESID 144 (Y): C 176.500 176.500 174.870 1.630 RESID 144 (Y): CA 55.820 55.820 59.681 -3.861 RESID 144 (Y): CB 39.120 39.120 39.139 -0.019 RESID 144 (Y): H 8.491 8.491 8.552 -0.061 RESID 145 (D): N 125.200 125.200 124.352 0.848 RESID 145 (D): C 176.800 176.800 175.010 1.790 RESID 145 (D): CA 55.220 55.220 55.455 -0.235 RESID 145 (D): CB 43.120 43.120 39.757 3.363 RESID 145 (D): H 8.800 8.800 8.346 0.454 RESID 146 (D): N 119.100 119.100 114.964 4.136 RESID 146 (D): C 175.200 175.200 175.294 -0.094 RESID 146 (D): CA 53.230 53.230 53.636 -0.406 RESID 146 (D): CB 40.760 40.760 42.469 -1.709 RESID 146 (D): H 7.571 7.571 8.586 -1.015 RESID 147 (K): N 114.100 114.100 119.858 -5.758 RESID 147 (K): C 175.000 175.000 175.283 -0.283 RESID 147 (K): CA 54.070 54.070 55.612 -1.542 RESID 147 (K): CB 33.340 33.340 35.089 -1.749 RESID 147 (K): H 7.018 7.018 7.568 -0.550 RESID 148 (S): N 118.300 118.300 118.803 -0.503 RESID 148 (S): C 175.700 175.700 176.075 -0.375 RESID 148 (S): CA 57.120 57.120 57.184 -0.064 RESID 148 (S): CB 64.970 64.970 64.273 0.697 RESID 148 (S): H 8.709 8.709 8.487 0.222 RESID 149 (W): N 121.700 121.700 119.861 1.839 RESID 149 (W): C 179.300 179.300 177.238 2.062 RESID 149 (W): CA 59.890 59.890 58.559 1.331 RESID 149 (W): CB 27.660 27.660 28.394 -0.734 RESID 149 (W): H 8.779 8.779 8.893 -0.114 RESID 150 (Q): N 124.600 124.600 121.403 3.197 RESID 150 (Q): C 178.100 178.100 177.801 0.299 RESID 150 (Q): CA 61.660 61.660 58.298 3.362 RESID 150 (Q): CB 26.550 26.550 27.747 -1.197 RESID 150 (Q): H 8.369 8.369 6.754 1.615 RESID 151 (S): N 117.500 117.500 116.185 1.315 RESID 151 (S): C 177.500 177.500 177.017 0.483 RESID 151 (S): CA 61.760 61.760 61.170 0.590 RESID 151 (S): CB 63.360 63.360 62.747 0.613 RESID 151 (S): H 7.769 7.769 7.766 0.003 RESID 152 (L): N 125.200 125.200 122.958 2.242 RESID 152 (L): C 178.700 178.700 178.133 0.567 RESID 152 (L): CA 58.320 58.320 57.934 0.386 RESID 152 (L): CB 41.980 41.980 41.697 0.283 RESID 152 (L): H 8.460 8.460 8.383 0.077 RESID 153 (L): N 119.200 119.200 118.651 0.549 RESID 153 (L): C 179.700 179.700 178.662 1.038 RESID 153 (L): CA 58.960 58.960 57.531 1.429 RESID 153 (L): CB 41.270 41.270 41.369 -0.099 RESID 153 (L): H 8.562 8.562 7.639 0.923 RESID 154 (T): N 116.300 116.300 112.812 3.488 RESID 154 (T): C 177.200 177.200 176.891 0.309 RESID 154 (T): CA 67.290 67.290 65.978 1.312 RESID 154 (T): CB 68.640 68.640 68.103 0.537 RESID 154 (T): H 8.004 8.004 7.872 0.132 RESID 155 (Q): N 124.500 124.500 120.987 3.513 RESID 155 (Q): C 179.200 179.200 177.996 1.204 RESID 155 (Q): CA 59.710 59.710 58.337 1.373 RESID 155 (Q): CB 28.620 28.620 28.341 0.279 RESID 155 (Q): H 8.230 8.230 7.909 0.321 RESID 156 (L): C 180.900 180.900 179.266 1.634 RESID 156 (L): CA 57.540 57.540 56.913 0.627 RESID 156 (L): CB 41.710 41.710 41.837 -0.128 RESID 157 (G): N 112.800 112.800 107.037 5.763 RESID 157 (G): C 174.500 174.500 175.068 -0.568 RESID 157 (G): CA 48.300 48.300 46.510 1.790 RESID 157 (G): H 9.216 9.216 7.994 1.222 RESID 158 (E): N 123.500 123.500 118.630 4.870 RESID 158 (E): C 177.800 177.800 177.131 0.669 RESID 158 (E): CA 59.120 59.120 57.842 1.278 RESID 158 (E): CB 29.700 29.700 29.383 0.317 RESID 158 (E): H 7.480 7.480 7.469 0.011 RESID 160 (T): C 178.300 178.300 176.004 2.296 RESID 160 (T): CA 61.930 61.930 63.097 -1.167 RESID 160 (T): CB 71.830 71.830 69.164 2.666 RESID 161 (G): N 113.600 113.600 113.844 -0.244 RESID 161 (G): C 174.600 174.600 174.149 0.451 RESID 161 (G): CA 48.130 48.130 46.888 1.242 RESID 161 (G): H 8.114 8.114 8.985 -0.871 RESID 162 (H): N 121.000 121.000 115.994 5.006 RESID 162 (H): C 174.000 174.000 176.140 -2.140 RESID 162 (H): CA 55.370 55.370 55.811 -0.441 RESID 162 (H): CB 28.280 28.280 31.283 -3.003 RESID 162 (H): H 8.506 8.506 7.833 0.673 RESID 163 (E): N 123.900 123.900 122.156 1.744 RESID 163 (E): C 180.800 180.800 178.466 2.334 RESID 163 (E): CA 61.160 61.160 59.718 1.442 RESID 163 (E): CB 28.720 28.720 29.162 -0.442 RESID 163 (E): H 10.300 10.300 8.766 1.534 RESID 164 (K): N 120.600 120.600 120.387 0.213 RESID 164 (K): C 178.700 178.700 178.788 -0.088 RESID 164 (K): CA 59.590 59.590 60.045 -0.455 RESID 164 (K): CB 32.280 32.280 31.970 0.310 RESID 164 (K): H 8.789 8.789 8.393 0.396 RESID 165 (Q): N 119.500 119.500 117.288 2.212 RESID 165 (Q): C 178.800 178.800 178.130 0.670 RESID 165 (Q): CA 60.870 60.870 58.843 2.027 RESID 165 (Q): CB 28.120 28.120 28.383 -0.263 RESID 165 (Q): H 8.058 8.058 8.545 -0.487 RESID 166 (A): N 121.100 121.100 122.425 -1.325 RESID 166 (A): C 178.000 178.000 179.424 -1.424 RESID 166 (A): CA 56.280 56.280 54.956 1.324 RESID 166 (A): CB 18.300 18.300 18.073 0.227 RESID 166 (A): H 7.873 7.873 7.977 -0.104 RESID 167 (A): N 117.900 117.900 120.950 -3.050 RESID 167 (A): C 181.500 181.500 179.609 1.891 RESID 167 (A): CA 55.100 55.100 55.264 -0.164 RESID 167 (A): CB 17.860 17.860 18.163 -0.303 RESID 167 (A): H 7.642 7.642 8.745 -1.103 RESID 168 (E): N 120.100 120.100 118.563 1.537 RESID 168 (E): C 179.600 179.600 179.131 0.469 RESID 168 (E): CA 59.610 59.610 59.614 -0.004 RESID 168 (E): CB 29.790 29.790 29.335 0.455 RESID 168 (E): H 8.230 8.230 7.909 0.321 RESID 170 (I): C 177.700 177.700 177.695 0.005 RESID 170 (I): CA 66.880 66.880 65.300 1.580 RESID 170 (I): CB 39.310 39.310 37.953 1.357 RESID 171 (A): N 120.700 120.700 123.191 -2.491 RESID 171 (A): C 181.200 181.200 179.839 1.361 RESID 171 (A): CA 55.290 55.290 55.635 -0.345 RESID 171 (A): CB 18.260 18.260 18.116 0.144 RESID 171 (A): H 8.000 8.000 8.777 -0.777 RESID 172 (Q): N 120.600 120.600 118.021 2.579 RESID 172 (Q): C 179.200 179.200 178.577 0.623 RESID 172 (Q): CA 59.210 59.210 58.497 0.713 RESID 172 (Q): CB 28.340 28.340 28.598 -0.258 RESID 172 (Q): H 8.585 8.585 7.945 0.640 RESID 173 (F): N 122.500 122.500 122.625 -0.125 RESID 173 (F): C 176.400 176.400 177.398 -0.998 RESID 173 (F): CA 62.710 62.710 61.100 1.610 RESID 173 (F): CB 39.490 39.490 39.131 0.359 RESID 173 (F): H 8.457 8.457 8.766 -0.309 RESID 174 (D): N 121.000 121.000 120.094 0.906 RESID 174 (D): C 180.300 180.300 178.874 1.426 RESID 174 (D): CA 58.040 58.040 57.489 0.551 RESID 174 (D): CB 40.160 40.160 40.252 -0.092 RESID 174 (D): H 8.771 8.771 9.034 -0.263 RESID 175 (K): N 121.300 121.300 120.224 1.076 RESID 175 (K): C 179.800 179.800 178.633 1.167 RESID 175 (K): CA 59.630 59.630 59.638 -0.008 RESID 175 (K): CB 32.710 32.710 32.397 0.313 RESID 175 (K): H 8.125 8.125 8.174 -0.049 RESID 176 (Q): N 121.600 121.600 119.517 2.083 RESID 176 (Q): C 179.100 179.100 178.327 0.773 RESID 176 (Q): CA 58.460 58.460 58.941 -0.480 RESID 176 (Q): CB 27.990 27.990 28.523 -0.533 RESID 176 (Q): H 8.164 8.164 7.830 0.334 RESID 177 (L): N 125.600 125.600 119.586 6.014 RESID 177 (L): C 178.400 178.400 178.675 -0.275 RESID 177 (L): CA 59.890 59.890 57.236 2.654 RESID 177 (L): CB 41.200 41.200 41.358 -0.158 RESID 177 (L): H 8.944 8.944 7.743 1.201 RESID 178 (A): N 121.500 121.500 122.547 -1.047 RESID 178 (A): C 180.600 180.600 179.233 1.367 RESID 178 (A): CA 55.390 55.390 55.189 0.201 RESID 178 (A): CB 17.970 17.970 17.883 0.087 RESID 178 (A): H 7.690 7.690 8.208 -0.518 RESID 179 (A): N 120.200 120.200 121.016 -0.816 RESID 179 (A): C 180.600 180.600 179.891 0.709 RESID 179 (A): CA 54.860 54.860 54.533 0.327 RESID 179 (A): CB 18.190 18.190 18.591 -0.401 RESID 179 (A): H 7.706 7.706 7.667 0.039 RESID 180 (A): N 121.800 121.800 121.819 -0.019 RESID 180 (A): C 179.200 179.200 179.103 0.097 RESID 180 (A): CA 55.490 55.490 54.751 0.739 RESID 180 (A): CB 17.920 17.920 18.174 -0.254 RESID 180 (A): H 8.171 8.171 8.003 0.168 RESID 181 (K): N 118.100 118.100 117.929 0.171 RESID 181 (K): C 178.000 178.000 178.095 -0.095 RESID 181 (K): CA 59.830 59.830 59.208 0.622 RESID 181 (K): CB 33.340 33.340 32.636 0.704 RESID 181 (K): H 8.342 8.342 8.301 0.041 RESID 182 (E): N 114.400 114.400 116.542 -2.142 RESID 182 (E): C 177.300 177.300 177.449 -0.149 RESID 182 (E): CA 57.870 57.870 57.108 0.762 RESID 182 (E): CB 30.320 30.320 29.257 1.063 RESID 182 (E): H 7.153 7.153 7.754 -0.601 RESID 183 (Q): N 116.700 116.700 117.413 -0.713 RESID 183 (Q): C 177.200 177.200 176.195 1.005 RESID 183 (Q): CA 57.060 57.060 56.849 0.211 RESID 183 (Q): CB 31.550 31.550 31.125 0.425 RESID 183 (Q): H 7.458 7.458 7.647 -0.189 RESID 184 (I): N 117.800 117.800 115.869 1.931 RESID 184 (I): C 175.200 175.200 174.241 0.959 RESID 184 (I): CA 63.000 63.000 59.751 3.249 RESID 184 (I): CB 40.300 40.300 39.952 0.348 RESID 184 (I): H 7.723 7.723 7.439 0.284 RESID 185 (K): N 127.700 127.700 122.964 4.736 RESID 185 (K): C 175.600 175.600 175.637 -0.037 RESID 185 (K): CA 54.550 54.550 55.122 -0.572 RESID 185 (K): CB 31.600 31.600 34.504 -2.904 RESID 185 (K): H 8.743 8.743 7.912 0.831 RESID 186 (L): N 124.700 124.700 125.729 -1.029 RESID 186 (L): C 175.700 175.700 175.913 -0.213 RESID 186 (L): CA 54.240 54.240 51.895 2.345 RESID 186 (L): CB 41.050 41.050 40.662 0.388 RESID 186 (L): H 8.051 8.051 8.478 -0.427 RESID 188 (P): C 174.800 174.800 176.252 -1.452 RESID 188 (P): CA 65.060 65.060 63.589 1.471 RESID 188 (P): CB 32.670 32.670 31.670 1.000 RESID 189 (Q): N 121.300 121.300 121.034 0.266 RESID 189 (Q): C 174.800 174.800 172.932 1.868 RESID 189 (Q): CA 52.330 52.330 54.714 -2.384 RESID 189 (Q): CB 31.350 31.350 30.393 0.957 RESID 189 (Q): H 8.061 8.061 8.220 -0.160 RESID 190 (P): C 175.500 175.500 175.562 -0.062 RESID 190 (P): CA 62.820 62.820 62.480 0.340 RESID 190 (P): CB 35.450 35.450 32.812 2.638 RESID 191 (V): N 112.600 112.600 121.600 -9.000 RESID 191 (V): C 174.300 174.300 173.973 0.327 RESID 191 (V): CA 59.740 59.740 59.523 0.217 RESID 191 (V): CB 35.030 35.030 34.687 0.343 RESID 191 (V): H 9.214 9.214 8.504 0.710 RESID 192 (T): N 120.700 120.700 113.369 7.331 RESID 192 (T): C 172.300 172.300 172.094 0.206 RESID 192 (T): CA 63.030 63.030 59.523 3.507 RESID 192 (T): CB 71.550 71.550 71.254 0.296 RESID 192 (T): H 8.462 8.462 8.324 0.138 RESID 193 (A): N 132.900 132.900 122.990 9.910 RESID 193 (A): C 175.400 175.400 175.410 -0.010 RESID 193 (A): CA 50.570 50.570 51.113 -0.543 RESID 193 (A): CB 21.140 21.140 21.457 -0.317 RESID 193 (A): H 10.170 10.170 8.558 1.612 RESID 194 (I): N 115.400 115.400 117.429 -2.029 RESID 194 (I): C 176.600 176.600 173.690 2.910 RESID 194 (I): CA 59.540 59.540 59.997 -0.457 RESID 194 (I): CB 43.930 43.930 42.125 1.805 RESID 194 (I): H 9.269 9.269 8.543 0.726 RESID 195 (V): N 118.500 118.500 122.687 -4.187 RESID 195 (V): C 176.200 176.200 174.063 2.137 RESID 195 (V): CA 63.190 63.190 61.373 1.817 RESID 195 (V): CB 34.870 34.870 34.739 0.131 RESID 195 (V): H 8.484 8.484 8.643 -0.159 RESID 196 (Y): N 132.200 132.200 129.466 2.734 RESID 196 (Y): C 174.700 174.700 174.143 0.557 RESID 196 (Y): CA 57.000 57.000 57.419 -0.418 RESID 196 (Y): CB 41.250 41.250 40.170 1.080 RESID 196 (Y): H 9.989 9.989 8.979 1.010 RESID 197 (T): N 124.900 124.900 123.392 1.508 RESID 197 (T): C 174.300 174.300 173.377 0.923 RESID 197 (T): CA 60.740 60.740 60.624 0.116 RESID 197 (T): CB 68.560 68.560 71.586 -3.026 RESID 197 (T): H 8.262 8.262 7.823 0.439 RESID 198 (A): N 130.500 130.500 130.728 -0.228 RESID 198 (A): C 180.400 180.400 179.298 1.102 RESID 198 (A): CA 55.510 55.510 54.380 1.130 RESID 198 (A): CB 18.480 18.480 18.413 0.067 RESID 198 (A): H 8.524 8.524 8.860 -0.336 RESID 199 (A): N 118.700 118.700 123.600 -4.900 RESID 199 (A): C 177.700 177.700 178.689 -0.989 RESID 199 (A): CA 54.350 54.350 54.875 -0.525 RESID 199 (A): CB 18.350 18.350 17.900 0.450 RESID 199 (A): H 8.578 8.578 8.297 0.281 RESID 200 (A): N 116.700 116.700 120.505 -3.805 RESID 200 (A): C 176.600 176.600 177.261 -0.661 RESID 200 (A): CA 51.290 51.290 52.030 -0.740 RESID 200 (A): CB 20.180 20.180 18.877 1.304 RESID 200 (A): H 6.638 6.638 8.109 -1.471 RESID 201 (H): N 116.900 116.900 116.671 0.229 RESID 201 (H): C 172.900 172.900 173.407 -0.507 RESID 201 (H): CA 56.710 56.710 56.354 0.356 RESID 201 (H): CB 27.820 27.820 28.262 -0.442 RESID 201 (H): H 7.569 7.569 7.843 -0.274 RESID 202 (S): N 110.500 110.500 114.458 -3.958 RESID 202 (S): C 171.500 171.500 171.451 0.049 RESID 202 (S): CA 56.530 56.530 57.596 -1.065 RESID 202 (S): CB 66.170 66.170 66.298 -0.128 RESID 202 (S): H 7.109 7.109 7.801 -0.692 RESID 203 (A): N 120.900 120.900 123.807 -2.907 RESID 203 (A): C 174.900 174.900 175.287 -0.387 RESID 203 (A): CA 50.890 50.890 51.424 -0.534 RESID 203 (A): CB 24.510 24.510 22.206 2.304 RESID 203 (A): H 8.618 8.618 8.308 0.310 RESID 204 (N): N 118.900 118.900 118.824 0.076 RESID 204 (N): C 173.300 173.300 173.452 -0.152 RESID 204 (N): CA 51.520 51.520 52.071 -0.551 RESID 204 (N): CB 40.080 40.080 42.165 -2.085 RESID 204 (N): H 8.333 8.333 8.219 0.114 RESID 205 (L): N 127.200 127.200 121.719 5.481 RESID 205 (L): C 175.700 175.700 175.564 0.136 RESID 205 (L): CA 54.920 54.920 54.063 0.857 RESID 205 (L): CB 44.180 44.180 42.632 1.548 RESID 205 (L): H 9.265 9.265 7.617 1.648 RESID 206 (W): N 125.300 125.300 123.638 1.662 RESID 206 (W): C 177.100 177.100 176.456 0.644 RESID 206 (W): CA 56.630 56.630 57.362 -0.732 RESID 206 (W): CB 29.690 29.690 30.828 -1.138 RESID 206 (W): H 8.560 8.560 7.913 0.647 RESID 207 (T): N 112.000 112.000 110.186 1.814 RESID 207 (T): C 176.100 176.100 173.283 2.817 RESID 207 (T): CA 60.120 60.120 59.254 0.866 RESID 207 (T): CB 68.540 68.540 70.374 -1.834 RESID 207 (T): H 8.029 8.029 8.136 -0.107 RESID 208 (P): C 176.000 176.000 176.853 -0.853 RESID 208 (P): CA 66.120 66.120 65.409 0.711 RESID 208 (P): CB 31.950 31.950 32.162 -0.212 RESID 209 (E): N 112.300 112.300 115.013 -2.713 RESID 209 (E): C 177.100 177.100 176.808 0.292 RESID 209 (E): CA 57.280 57.280 57.204 0.076 RESID 209 (E): CB 29.760 29.760 30.149 -0.389 RESID 209 (E): H 7.612 7.612 7.962 -0.350 RESID 210 (S): N 115.800 115.800 115.058 0.742 RESID 210 (S): C 173.900 173.900 175.525 -1.625 RESID 210 (S): CA 58.060 58.060 59.206 -1.146 RESID 210 (S): CB 67.320 67.320 64.468 2.852 RESID 210 (S): H 7.654 7.654 7.446 0.208 RESID 211 (A): N 125.200 125.200 127.315 -2.115 RESID 211 (A): C 180.600 180.600 179.842 0.758 RESID 211 (A): CA 55.410 55.410 55.317 0.093 RESID 211 (A): CB 18.530 18.530 18.768 -0.238 RESID 211 (A): H 8.874 8.874 9.022 -0.148 RESID 212 (Q): N 119.200 119.200 118.632 0.568 RESID 212 (Q): C 177.100 177.100 178.014 -0.914 RESID 212 (Q): CA 61.410 61.410 58.967 2.443 RESID 212 (Q): CB 27.090 27.090 27.422 -0.332 RESID 212 (Q): H 8.493 8.493 8.475 0.018 RESID 213 (G): N 107.500 107.500 107.660 -0.160 RESID 213 (G): C 175.400 175.400 176.311 -0.911 RESID 213 (G): CA 47.520 47.520 46.828 0.692 RESID 213 (G): H 8.053 8.053 8.295 -0.242 RESID 214 (Q): N 120.700 120.700 121.497 -0.797 RESID 214 (Q): C 179.000 179.000 178.395 0.605 RESID 214 (Q): CA 59.150 59.150 58.871 0.279 RESID 214 (Q): CB 29.110 29.110 28.686 0.424 RESID 214 (Q): H 8.501 8.501 8.071 0.430 RESID 215 (M): N 119.200 119.200 120.611 -1.411 RESID 215 (M): C 177.800 177.800 178.176 -0.376 RESID 215 (M): CA 59.760 59.760 59.647 0.113 RESID 215 (M): CB 32.050 32.050 32.843 -0.793 RESID 215 (M): H 7.878 7.878 8.176 -0.298 RESID 216 (L): N 115.800 115.800 118.835 -3.035 RESID 216 (L): C 179.900 179.900 179.030 0.870 RESID 216 (L): CA 58.160 58.160 57.662 0.498 RESID 216 (L): CB 40.010 40.010 41.460 -1.450 RESID 216 (L): H 7.517 7.517 7.987 -0.470 RESID 217 (E): N 121.000 121.000 119.664 1.336 RESID 217 (E): C 182.200 182.200 179.240 2.960 RESID 217 (E): CA 60.210 60.210 58.925 1.285 RESID 217 (E): CB 29.150 29.150 29.421 -0.271 RESID 217 (E): H 8.377 8.377 8.199 0.178 RESID 218 (Q): N 122.300 122.300 117.107 5.193 RESID 218 (Q): C 178.100 178.100 178.908 -0.808 RESID 218 (Q): CA 59.220 59.220 58.270 0.950 RESID 218 (Q): CB 28.850 28.850 29.123 -0.273 RESID 218 (Q): H 8.464 8.464 7.923 0.541 RESID 219 (L): N 118.400 118.400 117.866 0.534 RESID 219 (L): C 175.200 175.200 177.439 -2.239 RESID 219 (L): CA 55.880 55.880 57.270 -1.390 RESID 219 (L): CB 44.330 44.330 42.869 1.461 RESID 219 (L): H 7.433 7.433 7.780 -0.347 RESID 220 (G): N 104.600 104.600 102.669 1.931 RESID 220 (G): C 174.700 174.700 172.927 1.773 RESID 220 (G): CA 44.750 44.750 44.687 0.063 RESID 220 (G): H 7.777 7.777 8.166 -0.389 RESID 221 (F): N 119.100 119.100 118.930 0.170 RESID 221 (F): C 175.200 175.200 174.339 0.861 RESID 221 (F): CA 57.900 57.900 55.959 1.940 RESID 221 (F): CB 38.930 38.930 42.778 -3.848 RESID 221 (F): H 8.001 8.001 7.778 0.223 RESID 222 (T): N 117.600 117.600 116.015 1.585 RESID 222 (T): C 173.900 173.900 173.380 0.520 RESID 222 (T): CA 61.790 61.790 61.210 0.580 RESID 222 (T): CB 71.360 71.360 69.751 1.609 RESID 222 (T): H 8.961 8.961 8.565 0.397 RESID 223 (L): N 128.300 128.300 127.098 1.202 RESID 223 (L): C 178.300 178.300 176.642 1.658 RESID 223 (L): CA 54.760 54.760 53.405 1.355 RESID 223 (L): CB 41.600 41.600 42.740 -1.140 RESID 223 (L): H 9.269 9.269 8.208 1.061 RESID 224 (A): N 126.800 126.800 128.101 -1.301 RESID 224 (A): C 177.400 177.400 175.861 1.539 RESID 224 (A): CA 52.460 52.460 50.990 1.470 RESID 224 (A): CB 18.650 18.650 20.833 -2.183 RESID 224 (A): H 9.077 9.077 8.110 0.967 RESID 225 (K): N 123.400 123.400 121.154 2.246 RESID 225 (K): C 176.800 176.800 176.189 0.611 RESID 225 (K): CA 55.600 55.600 55.574 0.026 RESID 225 (K): CB 33.080 33.080 32.911 0.169 RESID 225 (K): H 8.601 8.601 8.362 0.239 RESID 226 (L): N 126.200 126.200 128.001 -1.801 RESID 226 (L): C 175.500 175.500 175.606 -0.106 RESID 226 (L): CA 53.420 53.420 53.946 -0.526 RESID 226 (L): CB 41.720 41.720 41.241 0.479 RESID 226 (L): H 8.634 8.634 8.521 0.113 RESID 227 (P): C 176.800 176.800 177.080 -0.280 RESID 227 (P): CA 62.860 62.860 62.895 -0.035 RESID 227 (P): CB 32.360 32.360 32.184 0.176 RESID 228 (A): N 124.900 124.900 124.869 0.031 RESID 228 (A): C 179.500 179.500 178.505 0.995 RESID 228 (A): CA 54.120 54.120 53.428 0.692 RESID 228 (A): CB 18.710 18.710 18.705 0.005 RESID 228 (A): H 8.412 8.412 8.515 -0.103 RESID 229 (G): N 107.700 107.700 107.505 0.195 RESID 229 (G): C 175.000 175.000 175.955 -0.955 RESID 229 (G): CA 46.040 46.040 45.422 0.618 RESID 229 (G): H 8.565 8.565 8.105 0.460 RESID 230 (L): N 121.100 121.100 122.234 -1.134 RESID 230 (L): C 176.900 176.900 178.389 -1.489 RESID 230 (L): CA 55.620 55.620 55.527 0.093 RESID 230 (L): CB 42.630 42.630 41.674 0.956 RESID 230 (L): H 7.454 7.454 7.854 -0.400 RESID 231 (N): N 119.400 119.400 119.844 -0.444 RESID 231 (N): C 175.300 175.300 175.939 -0.639 RESID 231 (N): CA 53.650 53.650 56.137 -2.487 RESID 231 (N): CB 38.940 38.940 37.998 0.942 RESID 231 (N): H 8.211 8.211 8.004 0.207 RESID 232 (A): N 124.500 124.500 119.491 5.009 RESID 232 (A): C 178.100 178.100 178.048 0.052 RESID 232 (A): CA 53.110 53.110 51.771 1.339 RESID 232 (A): CB 19.340 19.340 18.016 1.324 RESID 232 (A): H 8.103 8.103 7.985 0.118 RESID 233 (S): N 115.200 115.200 115.224 -0.024 RESID 233 (S): C 175.100 175.100 175.568 -0.468 RESID 233 (S): CA 59.280 59.280 61.032 -1.752 RESID 233 (S): CB 64.280 64.280 63.346 0.934 RESID 233 (S): H 8.169 8.169 8.414 -0.245 RESID 234 (Q): N 122.100 122.100 120.503 1.597 RESID 234 (Q): C 176.400 176.400 175.670 0.730 RESID 234 (Q): CA 56.240 56.240 56.050 0.190 RESID 234 (Q): CB 29.490 29.490 30.814 -1.324 RESID 234 (Q): H 8.230 8.230 7.757 0.473 RESID 235 (S): N 117.100 117.100 118.161 -1.061 RESID 235 (S): C 174.900 174.900 174.671 0.229 RESID 235 (S): CA 58.910 58.910 58.924 -0.014 RESID 235 (S): CB 64.510 64.510 62.862 1.648 RESID 235 (S): H 8.229 8.229 8.441 -0.212 RESID 236 (Q): N 122.300 122.300 127.109 -4.809 RESID 236 (Q): C 176.700 176.700 175.444 1.256 RESID 236 (Q): CA 56.610 56.610 55.501 1.109 RESID 236 (Q): CB 29.280 29.280 27.625 1.655 RESID 236 (Q): H 8.372 8.372 8.832 -0.460 RESID 237 (G): N 110.400 110.400 109.036 1.364 RESID 237 (G): C 174.100 174.100 172.963 1.137 RESID 237 (G): CA 45.720 45.720 45.465 0.255 RESID 237 (G): H 8.381 8.381 7.585 0.796 RESID 238 (K): N 120.500 120.500 121.437 -0.937 RESID 238 (K): C 176.600 176.600 175.480 1.120 RESID 238 (K): CA 56.490 56.490 56.045 0.445 RESID 238 (K): CB 33.320 33.320 32.778 0.542 RESID 238 (K): H 7.968 7.968 8.360 -0.392 RESID 239 (R): N 120.900 120.900 125.019 -4.119 RESID 239 (R): CA 56.130 56.130 55.946 0.184 RESID 239 (R): CB 31.560 31.560 30.910 0.650 RESID 239 (R): H 8.159 8.159 8.508 -0.349 RESID 240 (H): C 174.800 174.800 176.502 -1.702 RESID 240 (H): CA 55.740 55.740 58.681 -2.941 RESID 240 (H): CB 29.760 29.760 30.075 -0.315 RESID 241 (D): N 119.800 119.800 119.232 0.568 RESID 241 (D): C 174.700 174.700 176.272 -1.572 RESID 241 (D): CA 55.500 55.500 55.975 -0.475 RESID 241 (D): CB 40.550 40.550 41.219 -0.669 RESID 241 (D): H 9.052 9.052 8.387 0.665 RESID 242 (I): N 115.200 115.200 114.907 0.293 RESID 242 (I): C 175.600 175.600 174.433 1.167 RESID 242 (I): CA 59.090 59.090 59.065 0.025 RESID 242 (I): CB 43.670 43.670 40.976 2.694 RESID 242 (I): H 7.087 7.087 7.401 -0.314 RESID 243 (I): N 125.100 125.100 126.279 -1.179 RESID 243 (I): C 175.300 175.300 174.262 1.038 RESID 243 (I): CA 60.340 60.340 60.627 -0.287 RESID 243 (I): CB 41.290 41.290 38.422 2.868 RESID 243 (I): H 8.746 8.746 8.490 0.256 RESID 244 (Q): N 128.400 128.400 127.540 0.860 RESID 244 (Q): C 175.300 175.300 174.254 1.046 RESID 244 (Q): CA 56.460 56.460 54.921 1.539 RESID 244 (Q): CB 29.800 29.800 29.796 0.004 RESID 244 (Q): H 8.768 8.768 8.603 0.165 RESID 245 (L): N 125.500 125.500 123.465 2.035 RESID 245 (L): C 176.200 176.200 176.630 -0.430 RESID 245 (L): CA 53.790 53.790 53.100 0.690 RESID 245 (L): CB 45.100 45.100 44.854 0.246 RESID 245 (L): H 8.640 8.640 8.347 0.293 RESID 246 (G): N 109.700 109.700 105.081 4.619 RESID 246 (G): C 174.200 174.200 174.324 -0.124 RESID 246 (G): CA 44.590 44.590 45.048 -0.458 RESID 246 (G): H 8.424 8.424 8.446 -0.022 RESID 247 (G): N 108.500 108.500 108.657 -0.157 RESID 247 (G): C 176.800 176.800 174.970 1.830 RESID 247 (G): CA 47.500 47.500 44.343 3.157 RESID 247 (G): H 8.666 8.666 7.742 0.924 RESID 248 (E): N 123.700 123.700 121.190 2.510 RESID 248 (E): C 177.300 177.300 176.490 0.810 RESID 248 (E): CA 58.560 58.560 57.512 1.048 RESID 248 (E): CB 29.330 29.330 29.100 0.230 RESID 248 (E): H 9.265 9.265 8.824 0.441 RESID 249 (N): N 116.700 116.700 116.756 -0.056 RESID 249 (N): C 175.500 175.500 176.041 -0.541 RESID 249 (N): CA 53.490 53.490 53.515 -0.025 RESID 249 (N): CB 39.390 39.390 38.888 0.502 RESID 249 (N): H 7.963 7.963 7.948 0.015 RESID 250 (L): N 121.100 121.100 119.943 1.157 RESID 250 (L): C 177.100 177.100 178.101 -1.001 RESID 250 (L): CA 58.810 58.810 57.054 1.756 RESID 250 (L): CB 42.220 42.220 41.457 0.763 RESID 250 (L): H 7.104 7.104 7.804 -0.700 RESID 251 (A): N 117.400 117.400 122.392 -4.992 RESID 251 (A): C 179.500 179.500 178.169 1.331 RESID 251 (A): CA 55.340 55.340 54.653 0.687 RESID 251 (A): CB 17.960 17.960 18.386 -0.426 RESID 251 (A): H 8.141 8.141 8.311 -0.170 RESID 252 (A): N 117.400 117.400 118.604 -1.204 RESID 252 (A): C 179.100 179.100 178.329 0.771 RESID 252 (A): CA 53.990 53.990 52.402 1.588 RESID 252 (A): CB 18.970 18.970 18.961 0.009 RESID 252 (A): H 7.375 7.375 8.412 -1.037 RESID 253 (G): N 100.600 100.600 107.899 -7.299 RESID 253 (G): C 172.700 172.700 174.796 -2.096 RESID 253 (G): CA 45.380 45.380 45.024 0.356 RESID 253 (G): H 7.589 7.589 7.548 0.041 RESID 254 (L): N 124.800 124.800 122.820 1.980 RESID 254 (L): C 175.300 175.300 177.576 -2.276 RESID 254 (L): CA 53.020 53.020 54.860 -1.840 RESID 254 (L): CB 39.090 39.090 42.114 -3.024 RESID 254 (L): H 7.202 7.202 7.795 -0.593 RESID 255 (N): N 113.800 113.800 121.472 -7.672 RESID 255 (N): C 176.600 176.600 176.246 0.354 RESID 255 (N): CA 53.420 53.420 54.002 -0.582 RESID 255 (N): CB 37.600 37.600 38.828 -1.228 RESID 255 (N): H 7.701 7.701 8.845 -1.144 RESID 256 (G): N 109.100 109.100 106.571 2.529 RESID 256 (G): C 172.200 172.200 174.570 -2.370 RESID 256 (G): CA 45.790 45.790 45.340 0.450 RESID 256 (G): H 7.856 7.856 8.554 -0.698 RESID 257 (E): N 120.100 120.100 118.750 1.350 RESID 257 (E): C 176.900 176.900 175.576 1.324 RESID 257 (E): CA 57.880 57.880 56.581 1.298 RESID 257 (E): CB 29.760 29.760 30.586 -0.826 RESID 257 (E): H 8.443 8.443 8.638 -0.195 RESID 258 (S): N 107.500 107.500 113.700 -6.200 RESID 258 (S): C 172.500 172.500 172.428 0.072 RESID 258 (S): CA 58.010 58.010 58.546 -0.536 RESID 258 (S): CB 66.360 66.360 63.775 2.585 RESID 258 (S): H 7.176 7.176 8.010 -0.834 RESID 259 (L): N 124.900 124.900 127.562 -2.662 RESID 259 (L): C 173.900 173.900 176.481 -2.581 RESID 259 (L): CA 53.630 53.630 54.364 -0.734 RESID 259 (L): CB 46.240 46.240 42.414 3.826 RESID 259 (L): H 8.969 8.969 8.037 0.932 RESID 260 (F): N 123.700 123.700 123.025 0.675 RESID 260 (F): C 174.200 174.200 176.027 -1.827 RESID 260 (F): CA 56.460 56.460 54.928 1.532 RESID 260 (F): CB 41.560 41.560 40.476 1.084 RESID 260 (F): H 9.295 9.295 8.157 1.138 RESID 261 (L): N 123.900 123.900 120.207 3.693 RESID 261 (L): C 177.600 177.600 177.078 0.522 RESID 261 (L): CA 54.010 54.010 53.191 0.819 RESID 261 (L): CB 41.470 41.470 45.503 -4.033 RESID 261 (L): H 9.034 9.034 8.178 0.856 RESID 262 (F): N 123.800 123.800 122.419 1.381 RESID 262 (F): C 175.500 175.500 175.663 -0.163 RESID 262 (F): CA 58.850 58.850 56.872 1.978 RESID 262 (F): CB 39.930 39.930 38.480 1.450 RESID 262 (F): H 9.338 9.338 9.078 0.260 RESID 263 (A): N 121.900 121.900 124.088 -2.188 RESID 263 (A): C 175.300 175.300 177.022 -1.722 RESID 263 (A): CA 53.630 53.630 52.657 0.973 RESID 263 (A): CB 19.700 19.700 16.798 2.902 RESID 263 (A): H 8.902 8.902 8.253 0.649 RESID 264 (G): N 104.500 104.500 111.488 -6.988 RESID 264 (G): C 171.100 171.100 172.732 -1.632 RESID 264 (G): CA 45.540 45.540 45.059 0.481 RESID 264 (G): H 6.746 6.746 7.864 -1.118 RESID 265 (D): N 122.300 122.300 122.717 -0.417 RESID 265 (D): C 177.300 177.300 177.262 0.038 RESID 265 (D): CA 51.660 51.660 52.762 -1.102 RESID 265 (D): CB 42.840 42.840 42.263 0.577 RESID 265 (D): H 9.052 9.052 8.131 0.921 RESID 266 (Q): N 118.400 118.400 119.633 -1.233 RESID 266 (Q): C 177.600 177.600 177.456 0.144 RESID 266 (Q): CA 58.620 58.620 59.071 -0.451 RESID 266 (Q): CB 28.490 28.490 28.649 -0.159 RESID 266 (Q): H 8.277 8.277 8.606 -0.329 RESID 267 (K): N 117.700 117.700 118.803 -1.103 RESID 267 (K): C 180.400 180.400 178.094 2.306 RESID 267 (K): CA 59.390 59.390 59.568 -0.178 RESID 267 (K): CB 31.440 31.440 31.787 -0.347 RESID 267 (K): H 7.879 7.879 7.919 -0.040 RESID 268 (D): N 121.600 121.600 119.643 1.957 RESID 268 (D): C 177.400 177.400 178.342 -0.942 RESID 268 (D): CA 57.980 57.980 56.984 0.996 RESID 268 (D): CB 41.550 41.550 40.252 1.298 RESID 268 (D): H 7.640 7.640 8.128 -0.488 RESID 269 (A): N 121.700 121.700 121.487 0.213 RESID 269 (A): C 179.000 179.000 178.423 0.577 RESID 269 (A): CA 55.640 55.640 54.923 0.717 RESID 269 (A): CB 17.490 17.490 18.197 -0.707 RESID 269 (A): H 7.370 7.370 7.621 -0.251 RESID 270 (D): N 118.200 118.200 118.096 0.104 RESID 270 (D): C 179.300 179.300 176.509 2.791 RESID 270 (D): CA 57.570 57.570 56.291 1.279 RESID 270 (D): CB 39.860 39.860 40.237 -0.377 RESID 270 (D): H 8.735 8.735 7.969 0.766 RESID 271 (A): N 122.900 122.900 119.912 2.988 RESID 271 (A): C 180.800 180.800 179.317 1.483 RESID 271 (A): CA 55.040 55.040 53.554 1.486 RESID 271 (A): CB 18.300 18.300 19.305 -1.005 RESID 271 (A): H 7.579 7.579 7.017 0.562 RESID 272 (I): N 0.000 0.000 120.480 -120.480 RESID 272 (I): C 178.300 178.300 176.962 1.338 RESID 272 (I): CA 63.880 63.880 64.662 -0.782 RESID 272 (I): CB 35.710 35.710 38.129 -2.419 RESID 272 (I): H 7.340 7.340 8.410 -1.070 RESID 273 (Y): N 116.300 116.300 116.974 -0.674 RESID 273 (Y): C 177.000 177.000 176.783 0.217 RESID 273 (Y): CA 61.100 61.100 58.289 2.811 RESID 273 (Y): CB 37.770 37.770 35.840 1.930 RESID 273 (Y): H 7.509 7.509 7.294 0.215 RESID 274 (A): N 118.600 118.600 121.862 -3.262 RESID 274 (A): C 177.200 177.200 177.187 0.013 RESID 274 (A): CA 52.030 52.030 53.009 -0.979 RESID 274 (A): CB 19.580 19.580 19.411 0.169 RESID 274 (A): H 7.495 7.495 7.826 -0.331 RESID 275 (N): N 119.900 119.900 118.232 1.668 RESID 275 (N): C 175.700 175.700 174.009 1.691 RESID 275 (N): CA 51.030 51.030 51.385 -0.355 RESID 275 (N): CB 38.590 38.590 37.020 1.569 RESID 275 (N): H 7.200 7.200 7.959 -0.759 RESID 276 (P): C 178.900 178.900 178.491 0.409 RESID 276 (P): CA 65.190 65.190 65.451 -0.261 RESID 276 (P): CB 32.440 32.440 32.041 0.399 RESID 277 (L): N 116.700 116.700 117.428 -0.728 RESID 277 (L): C 178.000 178.000 178.879 -0.879 RESID 277 (L): CA 56.630 56.630 57.548 -0.918 RESID 277 (L): CB 41.720 41.720 41.498 0.222 RESID 277 (L): H 7.777 7.777 7.927 -0.150 RESID 278 (L): N 115.100 115.100 116.565 -1.465 RESID 278 (L): C 176.600 176.600 177.871 -1.271 RESID 278 (L): CA 53.200 53.200 54.936 -1.736 RESID 278 (L): CB 40.960 40.960 41.314 -0.354 RESID 278 (L): H 7.485 7.485 7.679 -0.194 RESID 279 (A): N 118.600 118.600 123.089 -4.489 RESID 279 (A): C 177.700 177.700 177.805 -0.105 RESID 279 (A): CA 55.090 55.090 54.366 0.724 RESID 279 (A): CB 19.710 19.710 18.599 1.111 RESID 279 (A): H 6.665 6.665 7.896 -1.231 RESID 280 (H): N 111.600 111.600 115.287 -3.687 RESID 280 (H): C 175.500 175.500 175.211 0.289 RESID 280 (H): CA 55.360 55.360 56.254 -0.894 RESID 280 (H): CB 29.540 29.540 28.645 0.895 RESID 280 (H): H 8.337 8.337 8.188 0.149 RESID 281 (L): N 124.100 124.100 122.535 1.565 RESID 281 (L): C 176.300 176.300 175.875 0.425 RESID 281 (L): CA 53.330 53.330 52.969 0.361 RESID 281 (L): CB 40.490 40.490 41.925 -1.435 RESID 281 (L): H 7.289 7.289 7.444 -0.155 RESID 282 (P): C 178.200 178.200 178.387 -0.187 RESID 282 (P): CA 66.050 66.050 65.702 0.348 RESID 282 (P): CB 32.150 32.150 31.712 0.438 RESID 283 (A): N 116.000 116.000 119.164 -3.164 RESID 283 (A): C 179.000 179.000 179.853 -0.853 RESID 283 (A): CA 55.630 55.630 55.189 0.441 RESID 283 (A): CB 19.490 19.490 18.186 1.304 RESID 283 (A): H 7.969 7.969 8.423 -0.454 RESID 284 (V): N 115.200 115.200 118.501 -3.301 RESID 284 (V): C 180.000 180.000 178.924 1.076 RESID 284 (V): CA 65.640 65.640 65.883 -0.243 RESID 284 (V): CB 32.560 32.560 30.820 1.740 RESID 284 (V): H 6.557 6.557 7.679 -1.122 RESID 285 (Q): N 121.200 121.200 120.444 0.756 RESID 285 (Q): C 178.000 178.000 177.654 0.346 RESID 285 (Q): CA 59.500 59.500 58.800 0.700 RESID 285 (Q): CB 29.080 29.080 28.607 0.473 RESID 285 (Q): H 8.581 8.581 7.822 0.759 RESID 286 (N): N 112.600 112.600 113.979 -1.379 RESID 286 (N): C 174.500 174.500 173.854 0.646 RESID 286 (N): CA 53.160 53.160 52.718 0.442 RESID 286 (N): CB 38.390 38.390 38.741 -0.351 RESID 286 (N): H 8.117 8.117 8.038 0.079 RESID 287 (K): N 118.500 118.500 115.950 2.550 RESID 287 (K): C 176.100 176.100 176.222 -0.122 RESID 287 (K): CA 57.540 57.540 57.305 0.235 RESID 287 (K): CB 28.570 28.570 29.546 -0.976 RESID 287 (K): H 7.724 7.724 7.697 0.027 RESID 288 (Q): N 119.700 119.700 117.147 2.553 RESID 288 (Q): C 173.700 173.700 174.071 -0.371 RESID 288 (Q): CA 52.970 52.970 54.832 -1.862 RESID 288 (Q): CB 28.640 28.640 28.977 -0.337 RESID 288 (Q): H 8.895 8.895 8.421 0.473 RESID 289 (V): N 119.200 119.200 118.611 0.589 RESID 289 (V): C 175.100 175.100 175.151 -0.051 RESID 289 (V): CA 61.600 61.600 61.106 0.494 RESID 289 (V): CB 32.610 32.610 34.008 -1.398 RESID 289 (V): H 6.246 6.246 6.911 -0.665 RESID 290 (Y): N 125.700 125.700 124.730 0.970 RESID 290 (Y): C 174.100 174.100 174.402 -0.302 RESID 290 (Y): CA 56.830 56.830 56.632 0.198 RESID 290 (Y): CB 40.950 40.950 42.360 -1.410 RESID 290 (Y): H 8.682 8.682 9.054 -0.372 RESID 291 (A): N 126.900 126.900 122.028 4.872 RESID 291 (A): C 178.300 178.300 176.757 1.543 RESID 291 (A): CA 51.560 51.560 50.373 1.187 RESID 291 (A): CB 19.670 19.670 21.256 -1.586 RESID 291 (A): H 9.057 9.057 8.654 0.403 RESID 292 (L): N 120.800 120.800 119.776 1.024 RESID 292 (L): C 175.500 175.500 176.236 -0.736 RESID 292 (L): CA 54.880 54.880 54.229 0.651 RESID 292 (L): CB 42.490 42.490 42.280 0.210 RESID 292 (L): H 8.342 8.342 8.916 -0.574 RESID 293 (G): N 107.500 107.500 103.882 3.618 RESID 293 (G): C 177.600 177.600 174.114 3.486 RESID 293 (G): CA 45.110 45.110 44.424 0.686 RESID 293 (G): H 7.973 7.973 7.382 0.591 RESID 294 (T): N 117.800 117.800 116.791 1.009 RESID 294 (T): C 176.400 176.400 176.030 0.370 RESID 294 (T): CA 65.260 65.260 65.238 0.022 RESID 294 (T): CB 68.310 68.310 69.156 -0.846 RESID 294 (T): H 8.808 8.808 8.575 0.233 RESID 295 (E): N 122.100 122.100 120.610 1.490 RESID 295 (E): C 177.700 177.700 176.758 0.942 RESID 295 (E): CA 58.540 58.540 58.353 0.187 RESID 295 (E): CB 29.010 29.010 28.808 0.202 RESID 295 (E): H 10.380 10.380 8.787 1.593 RESID 296 (T): N 103.000 103.000 108.496 -5.496 RESID 296 (T): C 173.600 173.600 174.320 -0.720 RESID 296 (T): CA 62.320 62.320 61.463 0.857 RESID 296 (T): CB 69.170 69.170 67.873 1.297 RESID 296 (T): H 7.062 7.062 7.994 -0.932 RESID 297 (F): N 121.500 121.500 122.963 -1.463 RESID 297 (F): C 174.500 174.500 175.883 -1.383 RESID 297 (F): CA 61.700 61.700 60.979 0.721 RESID 297 (F): CB 39.640 39.640 39.734 -0.095 RESID 297 (F): H 8.108 8.108 7.583 0.525 RESID 298 (R): N 116.800 116.800 119.791 -2.991 RESID 298 (R): C 176.000 176.000 175.120 0.880 RESID 298 (R): CA 54.160 54.160 55.815 -1.655 RESID 298 (R): CB 32.460 32.460 31.107 1.353 RESID 298 (R): H 7.552 7.552 8.257 -0.705 RESID 299 (L): N 125.500 125.500 126.770 -1.270 RESID 299 (L): C 174.800 174.800 174.285 0.515 RESID 299 (L): CA 54.300 54.300 54.015 0.285 RESID 299 (L): CB 41.670 41.670 44.022 -2.352 RESID 299 (L): H 8.903 8.903 8.389 0.514 RESID 300 (D): N 124.600 124.600 123.173 1.427 RESID 300 (D): C 173.400 173.400 175.663 -2.263 RESID 300 (D): CA 51.880 51.880 53.173 -1.293 RESID 300 (D): CB 43.230 43.230 42.737 0.493 RESID 300 (D): H 7.735 7.735 8.656 -0.921 RESID 301 (Y): N 118.100 118.100 121.374 -3.274 RESID 301 (Y): C 175.300 175.300 176.141 -0.841 RESID 301 (Y): CA 61.650 61.650 63.291 -1.641 RESID 301 (Y): CB 38.740 38.740 38.702 0.038 RESID 301 (Y): H 7.943 7.943 8.997 -1.054 RESID 302 (Y): N 112.300 112.300 115.396 -3.096 RESID 302 (Y): C 180.800 180.800 177.650 3.150 RESID 302 (Y): CA 61.970 61.970 60.880 1.090 RESID 302 (Y): CB 37.990 37.990 38.076 -0.086 RESID 302 (Y): H 7.309 7.309 8.128 -0.819 RESID 303 (S): N 119.100 119.100 115.901 3.199 RESID 303 (S): C 176.300 176.300 176.567 -0.267 RESID 303 (S): CA 60.690 60.690 61.173 -0.484 RESID 303 (S): CB 63.180 63.180 62.095 1.085 RESID 303 (S): H 9.411 9.411 9.404 0.007 RESID 304 (A): N 126.900 126.900 125.771 1.129 RESID 304 (A): C 180.400 180.400 179.387 1.013 RESID 304 (A): CA 56.000 56.000 54.926 1.073 RESID 304 (A): CB 18.040 18.040 17.853 0.187 RESID 304 (A): H 8.860 8.860 7.810 1.050 RESID 305 (M): N 116.600 116.600 117.982 -1.382 RESID 305 (M): C 179.300 179.300 178.882 0.418 RESID 305 (M): CA 57.880 57.880 59.756 -1.876 RESID 305 (M): CB 31.350 31.350 32.382 -1.032 RESID 305 (M): H 7.346 7.346 7.510 -0.164 RESID 306 (Q): N 119.300 119.300 118.816 0.484 RESID 306 (Q): C 179.000 179.000 178.830 0.170 RESID 306 (Q): CA 59.410 59.410 58.886 0.524 RESID 306 (Q): CB 28.450 28.450 28.821 -0.371 RESID 306 (Q): H 7.633 7.633 7.795 -0.162 RESID 308 (L): C 178.700 178.700 178.482 0.218 RESID 308 (L): CA 58.690 58.690 58.420 0.270 RESID 308 (L): CB 41.790 41.790 41.383 0.407 RESID 309 (D): N 119.100 119.100 119.115 -0.015 RESID 309 (D): C 179.600 179.600 178.885 0.715 RESID 309 (D): CA 57.830 57.830 57.568 0.262 RESID 309 (D): CB 40.820 40.820 40.329 0.491 RESID 309 (D): H 7.984 7.984 8.057 -0.073 RESID 310 (R): N 121.700 121.700 120.601 1.099 RESID 310 (R): C 178.900 178.900 178.730 0.170 RESID 310 (R): CA 58.590 58.590 59.196 -0.606 RESID 310 (R): CB 29.820 29.820 30.152 -0.332 RESID 310 (R): H 8.463 8.463 7.615 0.848 RESID 311 (L): N 119.200 119.200 119.927 -0.727 RESID 311 (L): C 178.800 178.800 178.735 0.065 RESID 311 (L): CA 58.380 58.380 58.115 0.265 RESID 311 (L): CB 42.340 42.340 41.837 0.502 RESID 311 (L): H 8.489 8.489 8.336 0.153 RESID 312 (K): N 116.500 116.500 118.742 -2.242 RESID 312 (K): C 178.000 178.000 178.412 -0.412 RESID 312 (K): CA 59.250 59.250 59.176 0.074 RESID 312 (K): CB 32.440 32.440 32.498 -0.058 RESID 312 (K): H 7.955 7.955 8.229 -0.274 RESID 313 (A): N 119.500 119.500 120.789 -1.289 RESID 313 (A): C 180.000 180.000 178.678 1.322 RESID 313 (A): CA 53.920 53.920 53.315 0.605 RESID 313 (A): CB 18.800 18.800 19.243 -0.443 RESID 313 (A): H 7.427 7.427 7.757 -0.330 RESID 314 (L): N 119.500 119.500 119.145 0.355 RESID 314 (L): C 177.400 177.400 176.451 0.949 RESID 314 (L): CA 56.770 56.770 57.233 -0.463 RESID 314 (L): CB 43.730 43.730 42.348 1.382 RESID 314 (L): H 7.431 7.431 8.137 -0.706 N HA C CA CB H RESID 26 (W): -3.486 ----- -0.877 0.343 3.246 0.215 RESID 27 (P): ----- ----- 0.006 -0.294 4.939 ----- RESID 28 (R): -3.831 ----- -1.391 0.704 0.752 0.056 RESID 29 (Q): -0.795 ----- 0.588 -1.272 1.426 -0.084 RESID 30 (I): -1.765 ----- 0.650 -0.902 -0.569 1.061 RESID 31 (T): 3.231 ----- 0.749 -1.287 1.043 0.592 RESID 32 (D): 5.734 ----- 1.410 0.813 -0.452 1.399 RESID 33 (S): -4.469 ----- -0.567 0.376 -0.375 -0.228 RESID 34 (R): -2.376 ----- -0.638 -3.648 0.183 0.370 RESID 35 (G): 5.127 ----- -2.255 -0.516 ----- -0.767 RESID 36 (T): 0.435 ----- 0.947 0.091 -0.196 0.537 RESID 37 (H): 0.463 ----- 0.741 -1.312 -2.026 0.364 RESID 38 (T): 4.004 ----- 1.344 2.095 -1.219 1.515 RESID 39 (L): 7.130 ----- 0.083 0.513 -0.871 0.426 RESID 40 (E): -1.666 ----- -0.324 0.305 0.481 0.131 RESID 41 (S): -1.888 ----- -1.493 -0.897 0.621 -0.160 RESID 42 (Q): 3.322 ----- -0.155 -2.008 0.545 -1.260 RESID 43 (P): ----- ----- -0.367 0.784 0.074 ----- RESID 44 (Q): 2.659 ----- -0.633 -1.518 2.907 2.619 RESID 45 (R): 8.248 ----- 0.487 0.072 0.015 2.438 RESID 47 (V): ----- ----- 0.353 -0.272 -0.278 ----- RESID 48 (S): -1.976 ----- 1.923 -1.882 -1.102 -0.657 RESID 49 (T): 4.133 ----- -2.946 0.953 -0.382 -0.364 RESID 50 (S): -0.356 ----- -0.599 -1.989 -0.104 -0.109 RESID 51 (V): 5.233 ----- -2.726 -0.434 -0.206 0.218 RESID 52 (T): 0.824 ----- 3.385 0.459 0.485 -0.178 RESID 53 (L): 1.440 ----- 0.527 -0.736 0.863 -0.498 RESID 54 (T): 1.764 ----- -1.740 -0.665 ----- -0.098 RESID 55 (G): -3.679 ----- -0.181 0.309 ----- -1.282 RESID 56 (S): -0.784 ----- -1.153 1.962 1.973 -1.254 RESID 58 (L): ----- ----- 1.789 -0.261 -0.098 ----- RESID 59 (A): -0.803 ----- -0.312 0.738 -0.327 -0.286 RESID 60 (I): ----- ----- -1.545 0.144 0.467 ----- RESID 61 (D): -2.349 ----- 0.249 0.047 -0.037 0.008 RESID 62 (A): -3.108 ----- 2.695 -0.846 -1.643 0.095 RESID 63 (P): ----- ----- -2.105 0.630 -4.710 ----- RESID 64 (V): 3.864 ----- -0.921 -1.456 -0.786 0.433 RESID 65 (I): -4.348 ----- 1.547 -3.022 1.273 0.219 RESID 66 (A): 4.288 ----- -0.095 0.656 1.480 -0.417 RESID 67 (S): -5.112 ----- 2.275 -2.075 -2.413 0.232 RESID 68 (G): 5.584 ----- -1.612 2.049 ----- -1.048 RESID 69 (A): -3.761 ----- 2.784 -1.218 2.053 -0.777 RESID 70 (T): 6.225 ----- -2.309 -2.713 0.968 1.058 RESID 71 (T): -4.900 ----- -0.435 0.128 1.526 -0.786 RESID 72 (P): ----- ----- 0.982 -0.194 0.732 ----- RESID 73 (N): -4.579 ----- -1.615 0.736 -1.457 -0.702 RESID 74 (N): ----- ----- -1.186 5.003 0.338 ----- RESID 75 (R): -6.359 ----- -0.151 1.079 1.060 -0.286 RESID 76 (V): -10.210 ----- 0.047 -2.927 2.033 -0.827 RESID 77 (A): 5.823 ----- -1.068 -1.031 5.122 0.714 RESID 78 (D): 1.789 ----- 2.211 -0.937 0.367 0.430 RESID 79 (D): 0.864 ----- 0.288 1.080 0.889 -0.151 RESID 80 (Q): -4.343 ----- -1.182 -1.518 2.399 -0.174 RESID 81 (G): -0.025 ----- 0.852 0.948 ----- -0.642 RESID 82 (F): 0.587 ----- -0.435 -4.242 -2.602 0.303 RESID 83 (L): ----- ----- 0.962 0.361 -3.472 ----- RESID 84 (R): 0.325 ----- 0.769 3.472 1.651 -0.685 RESID 85 (Q): -2.608 ----- -2.683 0.214 -3.159 1.869 RESID 86 (W): -6.374 ----- -1.866 -5.132 -2.138 -1.957 RESID 87 (S): 3.941 ----- 1.431 0.553 ----- -1.294 RESID 88 (K): -3.947 ----- 0.174 0.466 -0.097 0.966 RESID 89 (V): 6.305 ----- 0.798 0.077 0.513 -0.674 RESID 90 (A): -0.423 ----- 1.060 1.335 1.323 0.650 RESID 91 (K): -0.452 ----- 3.013 0.982 -0.009 -0.267 RESID 92 (E): 5.075 ----- 1.506 2.284 -0.668 0.473 RESID 93 (R): -3.138 ----- 0.332 0.787 -1.525 -0.274 RESID 94 (K): 1.804 ----- 0.681 -0.655 -1.415 -0.704 RESID 95 (L): -1.150 ----- 0.282 0.770 1.013 0.079 RESID 96 (Q): 0.365 ----- -0.975 0.601 0.342 -0.882 RESID 97 (R): 6.482 ----- 0.583 -1.053 1.618 0.502 RESID 98 (L): 3.534 ----- -0.396 2.454 3.305 -0.462 RESID 99 (Y): -2.018 ----- -1.384 -0.844 -0.983 -1.360 RESID 100 (I): -6.205 ----- -0.350 -1.802 3.592 0.092 RESID 101 (G): 0.863 ----- -0.698 2.208 ----- -0.272 RESID 102 (E): 10.912 ----- -0.785 0.468 2.028 0.286 RESID 103 (P): ----- ----- -0.828 -1.374 -0.089 ----- RESID 104 (S): -5.201 ----- 0.156 -3.158 -0.077 -2.556 RESID 105 (A): 0.260 ----- 0.340 0.748 -0.899 0.331 RESID 106 (E): 0.375 ----- 0.445 1.250 -0.475 0.142 RESID 107 (A): -0.797 ----- 0.320 -0.433 0.850 -0.167 RESID 108 (V): -1.680 ----- -0.937 1.141 0.333 -0.533 RESID 109 (A): -1.963 ----- 1.748 0.533 -0.221 0.087 RESID 110 (A): -0.736 ----- 0.262 -0.247 -0.037 -0.308 RESID 111 (Q): -1.048 ----- -1.035 0.928 -0.184 -0.292 RESID 112 (M): -6.251 ----- 0.045 0.367 -1.458 -0.035 RESID 113 (P): ----- ----- 0.398 0.293 0.298 ----- RESID 114 (D): -2.111 ----- -0.038 -2.128 -1.884 0.636 RESID 115 (L): ----- ----- 0.574 -1.310 ----- ----- RESID 116 (I): -2.632 ----- ----- 0.184 ----- 1.242 RESID 118 (I): ----- ----- -1.039 0.473 1.212 ----- RESID 119 (S): -0.010 ----- 0.629 -0.632 0.724 1.002 RESID 120 (A): 1.266 ----- -0.548 -0.047 1.495 -0.540 RESID 121 (T): -3.718 ----- -0.386 -2.455 1.691 -0.379 RESID 122 (G): -7.196 ----- 3.021 -0.778 ----- 0.115 RESID 123 (G): ----- ----- -0.223 1.033 ----- ----- RESID 124 (D): -2.255 ----- 1.175 -0.586 0.045 0.890 RESID 125 (S): -3.962 ----- 1.734 0.101 0.118 -1.115 RESID 126 (A): 4.795 ----- -1.956 -2.360 -2.236 0.202 RESID 127 (L): -0.026 ----- 0.567 1.466 1.224 -0.806 RESID 128 (A): 3.500 ----- 0.802 0.859 -0.498 1.299 RESID 129 (L): 0.708 ----- -0.848 -1.289 -0.423 0.351 RESID 130 (Y): -0.867 ----- 0.363 1.488 1.019 -1.090 RESID 131 (D): 1.135 ----- -0.091 0.606 0.265 0.910 RESID 132 (Q): -0.968 ----- 0.218 0.360 0.556 -0.161 RESID 133 (L): -0.504 ----- -0.703 0.215 -0.804 -0.354 RESID 134 (S): -2.916 ----- -0.583 -0.185 0.713 -0.344 RESID 135 (T): -4.920 ----- -1.324 -2.082 0.656 -0.603 RESID 136 (I): 3.899 ----- 0.221 -0.078 0.301 0.333 RESID 137 (A): 1.871 ----- -1.688 -0.099 -0.170 -0.432 RESID 138 (P): ----- ----- -1.448 1.052 0.131 ----- RESID 139 (T): 2.240 ----- -0.005 -1.484 1.839 -0.156 RESID 140 (L): ----- ----- 0.605 -0.734 0.488 ----- RESID 141 (I): -1.843 ----- 1.018 -0.838 0.885 1.463 RESID 142 (I): 1.965 ----- 0.213 -1.898 -2.534 0.025 RESID 143 (N): 4.728 ----- 0.519 -1.941 0.103 0.726 RESID 144 (Y): -6.396 ----- 1.630 -3.861 -0.019 -0.061 RESID 145 (D): 0.848 ----- 1.790 -0.235 3.363 0.454 RESID 146 (D): 4.136 ----- -0.094 -0.406 -1.709 -1.015 RESID 147 (K): -5.758 ----- -0.283 -1.542 -1.749 -0.550 RESID 148 (S): -0.503 ----- -0.375 -0.064 0.697 0.222 RESID 149 (W): 1.839 ----- 2.062 1.331 -0.734 -0.114 RESID 150 (Q): 3.197 ----- 0.299 3.362 -1.197 1.615 RESID 151 (S): 1.315 ----- 0.483 0.590 0.613 0.003 RESID 152 (L): 2.242 ----- 0.567 0.386 0.283 0.077 RESID 153 (L): 0.549 ----- 1.038 1.429 -0.099 0.923 RESID 154 (T): 3.488 ----- 0.309 1.312 0.537 0.132 RESID 155 (Q): 3.513 ----- 1.204 1.373 0.279 0.321 RESID 156 (L): ----- ----- 1.634 0.627 -0.128 ----- RESID 157 (G): 5.763 ----- -0.568 1.790 ----- 1.222 RESID 158 (E): 4.870 ----- 0.669 1.278 0.317 0.011 RESID 160 (T): ----- ----- 2.296 -1.167 2.666 ----- RESID 161 (G): -0.244 ----- 0.451 1.242 ----- -0.871 RESID 162 (H): 5.006 ----- -2.140 -0.441 -3.003 0.673 RESID 163 (E): 1.744 ----- 2.334 1.442 -0.442 1.534 RESID 164 (K): 0.213 ----- -0.088 -0.455 0.310 0.396 RESID 165 (Q): 2.212 ----- 0.670 2.027 -0.263 -0.487 RESID 166 (A): -1.325 ----- -1.424 1.324 0.227 -0.104 RESID 167 (A): -3.050 ----- 1.891 -0.164 -0.303 -1.103 RESID 168 (E): 1.537 ----- 0.469 -0.004 0.455 0.321 RESID 170 (I): ----- ----- 0.005 1.580 1.357 ----- RESID 171 (A): -2.491 ----- 1.361 -0.345 0.144 -0.777 RESID 172 (Q): 2.579 ----- 0.623 0.713 -0.258 0.640 RESID 173 (F): -0.125 ----- -0.998 1.610 0.359 -0.309 RESID 174 (D): 0.906 ----- 1.426 0.551 -0.092 -0.263 RESID 175 (K): 1.076 ----- 1.167 -0.008 0.313 -0.049 RESID 176 (Q): 2.083 ----- 0.773 -0.480 -0.533 0.334 RESID 177 (L): 6.014 ----- -0.275 2.654 -0.158 1.201 RESID 178 (A): -1.047 ----- 1.367 0.201 0.087 -0.518 RESID 179 (A): -0.816 ----- 0.709 0.327 -0.401 0.039 RESID 180 (A): -0.019 ----- 0.097 0.739 -0.254 0.168 RESID 181 (K): 0.171 ----- -0.095 0.622 0.704 0.041 RESID 182 (E): -2.142 ----- -0.149 0.762 1.063 -0.601 RESID 183 (Q): -0.713 ----- 1.005 0.211 0.425 -0.189 RESID 184 (I): 1.931 ----- 0.959 3.249 0.348 0.284 RESID 185 (K): 4.736 ----- -0.037 -0.572 -2.904 0.831 RESID 186 (L): -1.029 ----- -0.213 2.345 0.388 -0.427 RESID 188 (P): ----- ----- -1.452 1.471 1.000 ----- RESID 189 (Q): 0.266 ----- 1.868 -2.384 0.957 -0.160 RESID 190 (P): ----- ----- -0.062 0.340 2.638 ----- RESID 191 (V): -9.000 ----- 0.327 0.217 0.343 0.710 RESID 192 (T): 7.331 ----- 0.206 3.507 0.296 0.138 RESID 193 (A): 9.910 ----- -0.010 -0.543 -0.317 1.612 RESID 194 (I): -2.029 ----- 2.910 -0.457 1.805 0.726 RESID 195 (V): -4.187 ----- 2.137 1.817 0.131 -0.159 RESID 196 (Y): 2.734 ----- 0.557 -0.418 1.080 1.010 RESID 197 (T): 1.508 ----- 0.923 0.116 -3.026 0.439 RESID 198 (A): -0.228 ----- 1.102 1.130 0.067 -0.336 RESID 199 (A): -4.900 ----- -0.989 -0.525 0.450 0.281 RESID 200 (A): -3.805 ----- -0.661 -0.740 1.304 -1.471 RESID 201 (H): 0.229 ----- -0.507 0.356 -0.442 -0.274 RESID 202 (S): -3.958 ----- 0.049 -1.065 -0.128 -0.692 RESID 203 (A): -2.907 ----- -0.387 -0.534 2.304 0.310 RESID 204 (N): 0.076 ----- -0.152 -0.551 -2.085 0.114 RESID 205 (L): 5.481 ----- 0.136 0.857 1.548 1.648 RESID 206 (W): 1.662 ----- 0.644 -0.732 -1.138 0.647 RESID 207 (T): 1.814 ----- 2.817 0.866 -1.834 -0.107 RESID 208 (P): ----- ----- -0.853 0.711 -0.212 ----- RESID 209 (E): -2.713 ----- 0.292 0.076 -0.389 -0.350 RESID 210 (S): 0.742 ----- -1.625 -1.146 2.852 0.208 RESID 211 (A): -2.115 ----- 0.758 0.093 -0.238 -0.148 RESID 212 (Q): 0.568 ----- -0.914 2.443 -0.332 0.018 RESID 213 (G): -0.160 ----- -0.911 0.692 ----- -0.242 RESID 214 (Q): -0.797 ----- 0.605 0.279 0.424 0.430 RESID 215 (M): -1.411 ----- -0.376 0.113 -0.793 -0.298 RESID 216 (L): -3.035 ----- 0.870 0.498 -1.450 -0.470 RESID 217 (E): 1.336 ----- 2.960 1.285 -0.271 0.178 RESID 218 (Q): 5.193 ----- -0.808 0.950 -0.273 0.541 RESID 219 (L): 0.534 ----- -2.239 -1.390 1.461 -0.347 RESID 220 (G): 1.931 ----- 1.773 0.063 ----- -0.389 RESID 221 (F): 0.170 ----- 0.861 1.940 -3.848 0.223 RESID 222 (T): 1.585 ----- 0.520 0.580 1.609 0.397 RESID 223 (L): 1.202 ----- 1.658 1.355 -1.140 1.061 RESID 224 (A): -1.301 ----- 1.539 1.470 -2.183 0.967 RESID 225 (K): 2.246 ----- 0.611 0.026 0.169 0.239 RESID 226 (L): -1.801 ----- -0.106 -0.526 0.479 0.113 RESID 227 (P): ----- ----- -0.280 -0.035 0.176 ----- RESID 228 (A): 0.031 ----- 0.995 0.692 0.005 -0.103 RESID 229 (G): 0.195 ----- -0.955 0.618 ----- 0.460 RESID 230 (L): -1.134 ----- -1.489 0.093 0.956 -0.400 RESID 231 (N): -0.444 ----- -0.639 -2.487 0.942 0.207 RESID 232 (A): 5.009 ----- 0.052 1.339 1.324 0.118 RESID 233 (S): -0.024 ----- -0.468 -1.752 0.934 -0.245 RESID 234 (Q): 1.597 ----- 0.730 0.190 -1.324 0.473 RESID 235 (S): -1.061 ----- 0.229 -0.014 1.648 -0.212 RESID 236 (Q): -4.809 ----- 1.256 1.109 1.655 -0.460 RESID 237 (G): 1.364 ----- 1.137 0.255 ----- 0.796 RESID 238 (K): -0.937 ----- 1.120 0.445 0.542 -0.392 RESID 239 (R): -4.119 ----- ----- 0.184 0.650 -0.349 RESID 240 (H): ----- ----- -1.702 -2.941 -0.315 ----- RESID 241 (D): 0.568 ----- -1.572 -0.475 -0.669 0.665 RESID 242 (I): 0.293 ----- 1.167 0.025 2.694 -0.314 RESID 243 (I): -1.179 ----- 1.038 -0.287 2.868 0.256 RESID 244 (Q): 0.860 ----- 1.046 1.539 0.004 0.165 RESID 245 (L): 2.035 ----- -0.430 0.690 0.246 0.293 RESID 246 (G): 4.619 ----- -0.124 -0.458 ----- -0.022 RESID 247 (G): -0.157 ----- 1.830 3.157 ----- 0.924 RESID 248 (E): 2.510 ----- 0.810 1.048 0.230 0.441 RESID 249 (N): -0.056 ----- -0.541 -0.025 0.502 0.015 RESID 250 (L): 1.157 ----- -1.001 1.756 0.763 -0.700 RESID 251 (A): -4.992 ----- 1.331 0.687 -0.426 -0.170 RESID 252 (A): -1.204 ----- 0.771 1.588 0.009 -1.037 RESID 253 (G): -7.299 ----- -2.096 0.356 ----- 0.041 RESID 254 (L): 1.980 ----- -2.276 -1.840 -3.024 -0.593 RESID 255 (N): -7.672 ----- 0.354 -0.582 -1.228 -1.144 RESID 256 (G): 2.529 ----- -2.370 0.450 ----- -0.698 RESID 257 (E): 1.350 ----- 1.324 1.298 -0.826 -0.195 RESID 258 (S): -6.200 ----- 0.072 -0.536 2.585 -0.834 RESID 259 (L): -2.662 ----- -2.581 -0.734 3.826 0.932 RESID 260 (F): 0.675 ----- -1.827 1.532 1.084 1.138 RESID 261 (L): 3.693 ----- 0.522 0.819 -4.033 0.856 RESID 262 (F): 1.381 ----- -0.163 1.978 1.450 0.260 RESID 263 (A): -2.188 ----- -1.722 0.973 2.902 0.649 RESID 264 (G): -6.988 ----- -1.632 0.481 ----- -1.118 RESID 265 (D): -0.417 ----- 0.038 -1.102 0.577 0.921 RESID 266 (Q): -1.233 ----- 0.144 -0.451 -0.159 -0.329 RESID 267 (K): -1.103 ----- 2.306 -0.178 -0.347 -0.040 RESID 268 (D): 1.957 ----- -0.942 0.996 1.298 -0.488 RESID 269 (A): 0.213 ----- 0.577 0.717 -0.707 -0.251 RESID 270 (D): 0.104 ----- 2.791 1.279 -0.377 0.766 RESID 271 (A): 2.988 ----- 1.483 1.486 -1.005 0.562 RESID 272 (I): -120.480 ----- 1.338 -0.782 -2.419 -1.070 RESID 273 (Y): -0.674 ----- 0.217 2.811 1.930 0.215 RESID 274 (A): -3.262 ----- 0.013 -0.979 0.169 -0.331 RESID 275 (N): 1.668 ----- 1.691 -0.355 1.569 -0.759 RESID 276 (P): ----- ----- 0.409 -0.261 0.399 ----- RESID 277 (L): -0.728 ----- -0.879 -0.918 0.222 -0.150 RESID 278 (L): -1.465 ----- -1.271 -1.736 -0.354 -0.194 RESID 279 (A): -4.489 ----- -0.105 0.724 1.111 -1.231 RESID 280 (H): -3.687 ----- 0.289 -0.894 0.895 0.149 RESID 281 (L): 1.565 ----- 0.425 0.361 -1.435 -0.155 RESID 282 (P): ----- ----- -0.187 0.348 0.438 ----- RESID 283 (A): -3.164 ----- -0.853 0.441 1.304 -0.454 RESID 284 (V): -3.301 ----- 1.076 -0.243 1.740 -1.122 RESID 285 (Q): 0.756 ----- 0.346 0.700 0.473 0.759 RESID 286 (N): -1.379 ----- 0.646 0.442 -0.351 0.079 RESID 287 (K): 2.550 ----- -0.122 0.235 -0.976 0.027 RESID 288 (Q): 2.553 ----- -0.371 -1.862 -0.337 0.473 RESID 289 (V): 0.589 ----- -0.051 0.494 -1.398 -0.665 RESID 290 (Y): 0.970 ----- -0.302 0.198 -1.410 -0.372 RESID 291 (A): 4.872 ----- 1.543 1.187 -1.586 0.403 RESID 292 (L): 1.024 ----- -0.736 0.651 0.210 -0.574 RESID 293 (G): 3.618 ----- 3.486 0.686 ----- 0.591 RESID 294 (T): 1.009 ----- 0.370 0.022 -0.846 0.233 RESID 295 (E): 1.490 ----- 0.942 0.187 0.202 1.593 RESID 296 (T): -5.496 ----- -0.720 0.857 1.297 -0.932 RESID 297 (F): -1.463 ----- -1.383 0.721 -0.095 0.525 RESID 298 (R): -2.991 ----- 0.880 -1.655 1.353 -0.705 RESID 299 (L): -1.270 ----- 0.515 0.285 -2.352 0.514 RESID 300 (D): 1.427 ----- -2.263 -1.293 0.493 -0.921 RESID 301 (Y): -3.274 ----- -0.841 -1.641 0.038 -1.054 RESID 302 (Y): -3.096 ----- 3.150 1.090 -0.086 -0.819 RESID 303 (S): 3.199 ----- -0.267 -0.484 1.085 0.007 RESID 304 (A): 1.129 ----- 1.013 1.073 0.187 1.050 RESID 305 (M): -1.382 ----- 0.418 -1.876 -1.032 -0.164 RESID 306 (Q): 0.484 ----- 0.170 0.524 -0.371 -0.162 RESID 308 (L): ----- ----- 0.218 0.270 0.407 ----- RESID 309 (D): -0.015 ----- 0.715 0.262 0.491 -0.073 RESID 310 (R): 1.099 ----- 0.170 -0.606 -0.332 0.848 RESID 311 (L): -0.727 ----- 0.065 0.265 0.502 0.153 RESID 312 (K): -2.242 ----- -0.412 0.074 -0.058 -0.274 RESID 313 (A): -1.289 ----- 1.322 0.605 -0.443 -0.330 RESID 314 (L): 0.355 ----- 0.949 -0.463 1.382 -0.706 DATA CS_STAT_INFO N RMS: 8.231 ppm Count: 256 Average Difference: 0.475 +/- 8.233 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.224 ppm Count: 281 Average Difference: -0.160 +/- 1.215 ppm DATA CS_STAT_INFO CA RMS: 1.339 ppm Count: 283 Average Difference: -0.101 +/- 1.337 ppm DATA CS_STAT_INFO CB RMS: 1.421 ppm Count: 260 Average Difference: -0.160 +/- 1.415 ppm DATA CS_STAT_INFO HN RMS: 0.716 ppm Count: 256 Average Difference: -0.017 +/- 0.717 ppm ############################################################################ For conformer 5: Atom Original Corrected SPARTA Difference RESID 25 (D): N 120.600 120.600 120.662 -0.062 RESID 25 (D): C 174.400 174.400 175.902 -1.502 RESID 25 (D): CA 55.230 55.230 53.069 2.161 RESID 25 (D): CB 41.340 41.340 41.888 -0.548 RESID 25 (D): H 8.275 8.275 8.212 0.063 RESID 26 (W): N 120.100 120.100 123.567 -3.467 RESID 26 (W): C 174.200 174.200 175.074 -0.874 RESID 26 (W): CA 55.330 55.330 54.975 0.355 RESID 26 (W): CB 31.090 31.090 27.838 3.252 RESID 26 (W): H 7.788 7.788 7.569 0.219 RESID 27 (P): C 175.900 175.900 175.896 0.004 RESID 27 (P): CA 62.800 62.800 63.100 -0.300 RESID 27 (P): CB 37.260 37.260 32.312 4.948 RESID 28 (R): N 118.000 118.000 121.843 -3.843 RESID 28 (R): C 173.700 173.700 175.096 -1.396 RESID 28 (R): CA 55.160 55.160 54.427 0.733 RESID 28 (R): CB 33.430 33.430 32.671 0.759 RESID 28 (R): H 8.686 8.686 8.617 0.069 RESID 29 (Q): N 120.800 120.800 121.646 -0.846 RESID 29 (Q): C 175.500 175.500 174.910 0.590 RESID 29 (Q): CA 54.780 54.780 56.040 -1.260 RESID 29 (Q): CB 30.700 30.700 29.250 1.450 RESID 29 (Q): H 8.506 8.506 8.584 -0.078 RESID 30 (I): N 124.300 124.300 126.099 -1.799 RESID 30 (I): C 175.700 175.700 175.123 0.577 RESID 30 (I): CA 58.520 58.520 59.437 -0.917 RESID 30 (I): CB 40.680 40.680 41.173 -0.493 RESID 30 (I): H 9.002 9.002 7.916 1.086 RESID 31 (T): N 125.200 125.200 121.959 3.241 RESID 31 (T): C 174.400 174.400 173.663 0.737 RESID 31 (T): CA 62.150 62.150 63.472 -1.322 RESID 31 (T): CB 70.640 70.640 69.588 1.052 RESID 31 (T): H 8.989 8.989 8.399 0.590 RESID 32 (D): N 129.500 129.500 123.771 5.729 RESID 32 (D): C 177.400 177.400 175.973 1.427 RESID 32 (D): CA 52.630 52.630 51.835 0.795 RESID 32 (D): CB 42.950 42.950 43.438 -0.488 RESID 32 (D): H 9.389 9.389 7.976 1.413 RESID 33 (S): N 111.900 111.900 116.330 -4.430 RESID 33 (S): C 175.600 175.600 176.165 -0.565 RESID 33 (S): CA 60.920 60.920 60.516 0.404 RESID 33 (S): CB 63.430 63.430 63.810 -0.380 RESID 33 (S): H 8.075 8.075 8.294 -0.219 RESID 34 (R): N 120.600 120.600 122.987 -2.387 RESID 34 (R): C 176.100 176.100 176.729 -0.629 RESID 34 (R): CA 55.020 55.020 58.680 -3.660 RESID 34 (R): CB 30.850 30.850 30.673 0.177 RESID 34 (R): H 8.433 8.433 7.957 0.476 RESID 35 (G): N 108.900 108.900 103.734 5.166 RESID 35 (G): C 171.200 171.200 173.452 -2.252 RESID 35 (G): CA 45.060 45.060 45.558 -0.498 RESID 35 (G): H 7.837 7.837 8.593 -0.756 RESID 36 (T): N 116.300 116.300 116.147 0.153 RESID 36 (T): C 173.800 173.800 173.015 0.785 RESID 36 (T): CA 62.670 62.670 62.649 0.021 RESID 36 (T): CB 70.000 70.000 70.085 -0.086 RESID 36 (T): H 8.192 8.192 7.608 0.584 RESID 37 (H): N 125.800 125.800 125.319 0.481 RESID 37 (H): C 174.000 174.000 173.278 0.722 RESID 37 (H): CA 54.060 54.060 55.327 -1.267 RESID 37 (H): CB 31.020 31.020 33.040 -2.020 RESID 37 (H): H 8.986 8.986 8.625 0.361 RESID 38 (T): N 121.500 121.500 117.055 4.445 RESID 38 (T): C 174.200 174.200 172.803 1.397 RESID 38 (T): CA 63.190 63.190 61.063 2.127 RESID 38 (T): CB 70.080 70.080 71.325 -1.245 RESID 38 (T): H 9.101 9.101 7.489 1.612 RESID 39 (L): N 129.600 129.600 122.372 7.228 RESID 39 (L): C 176.900 176.900 176.800 0.100 RESID 39 (L): CA 53.990 53.990 53.473 0.517 RESID 39 (L): CB 43.160 43.160 44.072 -0.912 RESID 39 (L): H 9.145 9.145 8.685 0.460 RESID 40 (E): N 124.300 124.300 125.915 -1.615 RESID 40 (E): C 175.600 175.600 175.920 -0.320 RESID 40 (E): CA 59.420 59.420 59.129 0.291 RESID 40 (E): CB 30.710 30.710 30.223 0.487 RESID 40 (E): H 9.164 9.164 9.027 0.137 RESID 41 (S): N 108.300 108.300 110.135 -1.835 RESID 41 (S): C 171.700 171.700 173.186 -1.486 RESID 41 (S): CA 56.270 56.270 57.157 -0.887 RESID 41 (S): CB 65.420 65.420 64.811 0.609 RESID 41 (S): H 7.326 7.326 7.482 -0.156 RESID 42 (Q): N 123.900 123.900 120.584 3.316 RESID 42 (Q): C 174.600 174.600 174.748 -0.148 RESID 42 (Q): CA 53.730 53.730 55.759 -2.029 RESID 42 (Q): CB 28.470 28.470 27.911 0.559 RESID 42 (Q): H 7.339 7.339 8.602 -1.263 RESID 43 (P): C 176.300 176.300 176.668 -0.368 RESID 43 (P): CA 64.080 64.080 63.290 0.790 RESID 43 (P): CB 32.510 32.510 32.416 0.094 RESID 44 (Q): N 125.100 125.100 122.504 2.596 RESID 44 (Q): C 175.400 175.400 176.019 -0.619 RESID 44 (Q): CA 55.780 55.780 57.301 -1.521 RESID 44 (Q): CB 32.660 32.660 29.795 2.865 RESID 44 (Q): H 11.160 11.160 8.528 2.632 RESID 45 (R): N 125.700 125.700 117.419 8.281 RESID 45 (R): C 174.600 174.600 174.098 0.502 RESID 45 (R): CA 55.310 55.310 55.214 0.097 RESID 45 (R): CB 33.070 33.070 33.113 -0.043 RESID 45 (R): H 10.010 10.010 7.544 2.466 RESID 47 (V): C 174.700 174.700 174.474 0.226 RESID 47 (V): CA 60.970 60.970 61.223 -0.253 RESID 47 (V): CB 34.140 34.140 34.296 -0.156 RESID 48 (S): N 118.300 118.300 120.499 -2.199 RESID 48 (S): C 175.500 175.500 173.524 1.976 RESID 48 (S): CA 55.700 55.700 57.689 -1.989 RESID 48 (S): CB 64.750 64.750 66.456 -1.706 RESID 48 (S): H 7.852 7.852 8.493 -0.641 RESID 49 (T): N 116.800 116.800 111.601 5.199 RESID 49 (T): C 171.500 171.500 174.322 -2.822 RESID 49 (T): CA 62.400 62.400 61.627 0.773 RESID 49 (T): CB 69.320 69.320 69.532 -0.212 RESID 49 (T): H 8.283 8.283 8.388 -0.105 RESID 50 (S): N 116.200 116.200 116.678 -0.478 RESID 50 (S): C 174.600 174.600 175.169 -0.569 RESID 50 (S): CA 54.640 54.640 56.678 -2.038 RESID 50 (S): CB 64.000 64.000 64.029 -0.029 RESID 50 (S): H 7.627 7.627 7.734 -0.107 RESID 51 (V): N 134.300 134.300 129.394 4.906 RESID 51 (V): C 175.100 175.100 177.904 -2.804 RESID 51 (V): CA 65.620 65.620 65.948 -0.328 RESID 51 (V): CB 31.790 31.790 31.896 -0.106 RESID 51 (V): H 9.218 9.218 9.042 0.176 RESID 52 (T): N 117.000 117.000 116.425 0.575 RESID 52 (T): C 179.700 179.700 176.490 3.210 RESID 52 (T): CA 67.390 67.390 66.479 0.911 RESID 52 (T): CB 69.130 69.130 68.871 0.259 RESID 52 (T): H 7.841 7.841 7.981 -0.140 RESID 53 (L): N 123.400 123.400 122.256 1.144 RESID 53 (L): C 178.700 178.700 178.253 0.447 RESID 53 (L): CA 57.460 57.460 58.149 -0.689 RESID 53 (L): CB 42.610 42.610 41.779 0.831 RESID 53 (L): H 8.092 8.092 8.572 -0.480 RESID 54 (T): N 117.500 117.500 115.736 1.764 RESID 54 (T): C 174.900 174.900 176.634 -1.734 RESID 54 (T): CA 67.070 67.070 67.730 -0.660 RESID 54 (T): H 8.039 8.039 8.119 -0.080 RESID 55 (G): N 105.500 105.500 109.204 -3.704 RESID 55 (G): C 175.600 175.600 175.795 -0.195 RESID 55 (G): CA 47.260 47.260 46.960 0.300 RESID 55 (G): H 6.591 6.591 7.864 -1.273 RESID 56 (S): N 117.000 117.000 117.769 -0.769 RESID 56 (S): C 175.600 175.600 176.756 -1.156 RESID 56 (S): CA 63.400 63.400 61.504 1.896 RESID 56 (S): CB 65.060 65.060 63.095 1.965 RESID 56 (S): H 6.709 6.709 7.952 -1.243 RESID 58 (L): C 181.200 181.200 179.426 1.774 RESID 58 (L): CA 57.480 57.480 57.755 -0.275 RESID 58 (L): CB 40.810 40.810 40.936 -0.126 RESID 59 (A): N 122.100 122.100 122.906 -0.806 RESID 59 (A): C 178.500 178.500 178.772 -0.272 RESID 59 (A): CA 55.540 55.540 54.806 0.734 RESID 59 (A): CB 18.440 18.440 18.761 -0.321 RESID 59 (A): H 7.797 7.797 8.105 -0.308 RESID 60 (I): C 172.700 172.700 174.248 -1.548 RESID 60 (I): CA 60.390 60.390 60.227 0.163 RESID 60 (I): CB 37.930 37.930 37.529 0.401 RESID 61 (D): N 116.200 116.200 118.668 -2.468 RESID 61 (D): C 174.800 174.800 174.568 0.232 RESID 61 (D): CA 55.850 55.850 55.799 0.051 RESID 61 (D): CB 38.930 38.930 38.969 -0.039 RESID 61 (D): H 7.736 7.736 7.739 -0.003 RESID 62 (A): N 118.900 118.900 122.079 -3.179 RESID 62 (A): C 176.800 176.800 174.117 2.683 RESID 62 (A): CA 50.040 50.040 50.901 -0.862 RESID 62 (A): CB 17.940 17.940 19.575 -1.635 RESID 62 (A): H 7.820 7.820 7.725 0.095 RESID 63 (P): C 173.600 173.600 175.717 -2.117 RESID 63 (P): CA 63.250 63.250 62.612 0.638 RESID 63 (P): CB 27.640 27.640 32.347 -4.707 RESID 64 (V): N 123.100 123.100 119.200 3.900 RESID 64 (V): C 174.800 174.800 175.726 -0.926 RESID 64 (V): CA 58.420 58.420 59.871 -1.451 RESID 64 (V): CB 33.300 33.300 34.063 -0.763 RESID 64 (V): H 8.299 8.299 7.869 0.430 RESID 65 (I): N 122.000 122.000 126.397 -4.397 RESID 65 (I): C 177.100 177.100 175.557 1.543 RESID 65 (I): CA 61.010 61.010 64.045 -3.035 RESID 65 (I): CB 39.480 39.480 38.208 1.272 RESID 65 (I): H 8.589 8.589 8.337 0.252 RESID 66 (A): N 120.700 120.700 116.438 4.262 RESID 66 (A): C 175.100 175.100 175.235 -0.135 RESID 66 (A): CA 51.300 51.300 50.617 0.683 RESID 66 (A): CB 22.980 22.980 21.539 1.441 RESID 66 (A): H 7.246 7.246 7.675 -0.429 RESID 67 (S): N 111.700 111.700 116.780 -5.080 RESID 67 (S): C 176.500 176.500 174.240 2.260 RESID 67 (S): CA 55.230 55.230 57.300 -2.070 RESID 67 (S): CB 65.300 65.300 67.723 -2.423 RESID 67 (S): H 8.561 8.561 8.327 0.234 RESID 68 (G): N 112.900 112.900 107.237 5.663 RESID 68 (G): C 171.000 171.000 172.607 -1.607 RESID 68 (G): CA 46.580 46.580 44.506 2.074 RESID 68 (G): H 7.604 7.604 8.719 -1.115 RESID 69 (A): N 122.300 122.300 126.108 -3.808 RESID 69 (A): C 177.900 177.900 175.163 2.737 RESID 69 (A): CA 51.280 51.280 52.522 -1.242 RESID 69 (A): CB 23.440 23.440 21.368 2.072 RESID 69 (A): H 7.402 7.402 8.162 -0.760 RESID 70 (T): N 119.600 119.600 113.674 5.926 RESID 70 (T): C 171.400 171.400 173.717 -2.317 RESID 70 (T): CA 58.150 58.150 60.851 -2.701 RESID 70 (T): CB 70.880 70.880 69.838 1.042 RESID 70 (T): H 9.171 9.171 8.189 0.982 RESID 71 (T): N 116.500 116.500 121.588 -5.088 RESID 71 (T): C 172.500 172.500 172.928 -0.428 RESID 71 (T): CA 61.680 61.680 61.551 0.129 RESID 71 (T): CB 70.490 70.490 68.945 1.545 RESID 71 (T): H 7.663 7.663 8.451 -0.788 RESID 72 (P): C 177.100 177.100 176.134 0.966 RESID 72 (P): CA 63.390 63.390 63.566 -0.176 RESID 72 (P): CB 32.940 32.940 32.225 0.715 RESID 73 (N): N 115.200 115.200 119.810 -4.610 RESID 73 (N): C 174.600 174.600 176.218 -1.618 RESID 73 (N): CA 54.570 54.570 53.829 0.741 RESID 73 (N): CB 37.020 37.020 38.483 -1.462 RESID 73 (N): H 7.990 7.990 8.699 -0.709 RESID 74 (N): C 175.800 175.800 176.941 -1.141 RESID 74 (N): CA 60.660 60.660 55.639 5.021 RESID 74 (N): CB 38.070 38.070 37.720 0.350 RESID 75 (R): N 114.600 114.600 120.910 -6.310 RESID 75 (R): C 177.400 177.400 177.560 -0.160 RESID 75 (R): CA 59.940 59.940 58.859 1.081 RESID 75 (R): CB 31.110 31.110 30.067 1.043 RESID 75 (R): H 8.049 8.049 8.341 -0.292 RESID 76 (V): N 107.100 107.100 117.406 -10.306 RESID 76 (V): C 176.000 176.000 175.932 0.068 RESID 76 (V): CA 61.110 61.110 64.028 -2.918 RESID 76 (V): CB 33.590 33.590 31.555 2.035 RESID 76 (V): H 7.356 7.356 8.183 -0.827 RESID 77 (A): N 126.900 126.900 120.977 5.923 RESID 77 (A): C 176.500 176.500 177.584 -1.084 RESID 77 (A): CA 51.390 51.390 52.436 -1.046 RESID 77 (A): CB 24.260 24.260 19.146 5.114 RESID 77 (A): H 7.873 7.873 7.149 0.724 RESID 78 (D): N 118.700 118.700 116.903 1.797 RESID 78 (D): C 178.100 178.100 175.888 2.212 RESID 78 (D): CA 51.970 51.970 52.910 -0.940 RESID 78 (D): CB 41.360 41.360 40.999 0.361 RESID 78 (D): H 8.607 8.607 8.175 0.432 RESID 79 (D): N 116.600 116.600 115.736 0.864 RESID 79 (D): C 176.400 176.400 176.119 0.281 RESID 79 (D): CA 56.030 56.030 54.963 1.067 RESID 79 (D): CB 40.100 40.100 39.231 0.869 RESID 79 (D): H 8.258 8.258 8.422 -0.164 RESID 80 (Q): N 117.200 117.200 121.549 -4.349 RESID 80 (Q): C 175.700 175.700 176.879 -1.179 RESID 80 (Q): CA 54.970 54.970 56.480 -1.510 RESID 80 (Q): CB 30.840 30.840 28.448 2.392 RESID 80 (Q): H 8.160 8.160 8.335 -0.175 RESID 81 (G): N 105.300 105.300 105.318 -0.018 RESID 81 (G): C 174.200 174.200 173.339 0.861 RESID 81 (G): CA 45.740 45.740 44.787 0.953 RESID 81 (G): H 7.419 7.419 8.067 -0.648 RESID 82 (F): N 121.700 121.700 121.068 0.632 RESID 82 (F): C 175.300 175.300 175.734 -0.434 RESID 82 (F): CA 52.530 52.530 56.788 -4.258 RESID 82 (F): CB 37.430 37.430 40.080 -2.650 RESID 82 (F): H 8.154 8.154 7.855 0.299 RESID 83 (L): C 178.400 178.400 177.447 0.953 RESID 83 (L): CA 55.550 55.550 55.220 0.330 RESID 83 (L): CB 38.480 38.480 41.986 -3.506 RESID 84 (R): N 119.000 119.000 118.676 0.324 RESID 84 (R): C 178.300 178.300 177.533 0.767 RESID 84 (R): CA 60.690 60.690 57.206 3.484 RESID 84 (R): CB 31.530 31.530 29.874 1.656 RESID 84 (R): H 7.746 7.746 8.434 -0.688 RESID 85 (Q): N 116.400 116.400 118.989 -2.589 RESID 85 (Q): C 174.700 174.700 177.368 -2.668 RESID 85 (Q): CA 58.200 58.200 57.991 0.209 RESID 85 (Q): CB 26.140 26.140 29.320 -3.180 RESID 85 (Q): H 9.838 9.838 7.976 1.862 RESID 86 (W): N 115.600 115.600 122.113 -6.513 RESID 86 (W): C 175.900 175.900 177.683 -1.783 RESID 86 (W): CA 55.320 55.320 60.391 -5.071 RESID 86 (W): CB 27.470 27.470 29.544 -2.074 RESID 86 (W): H 6.600 6.600 8.551 -1.951 RESID 87 (S): N 118.500 118.500 114.759 3.741 RESID 87 (S): C 177.300 177.300 175.835 1.465 RESID 87 (S): CA 62.340 62.340 61.757 0.584 RESID 87 (S): H 7.067 7.067 8.329 -1.262 RESID 88 (K): N 118.300 118.300 122.243 -3.943 RESID 88 (K): C 179.000 179.000 178.820 0.180 RESID 88 (K): CA 59.970 59.970 59.494 0.476 RESID 88 (K): CB 32.380 32.380 32.471 -0.091 RESID 88 (K): H 8.615 8.615 7.635 0.980 RESID 89 (V): N 120.600 120.600 114.253 6.347 RESID 89 (V): C 178.100 178.100 177.289 0.811 RESID 89 (V): CA 65.530 65.530 65.452 0.078 RESID 89 (V): CB 32.180 32.180 31.681 0.499 RESID 89 (V): H 7.089 7.089 7.799 -0.710 RESID 90 (A): N 120.700 120.700 121.089 -0.389 RESID 90 (A): C 180.000 180.000 178.898 1.102 RESID 90 (A): CA 55.490 55.490 54.103 1.387 RESID 90 (A): CB 19.130 19.130 17.699 1.431 RESID 90 (A): H 7.979 7.979 7.293 0.686 RESID 91 (K): N 117.600 117.600 118.016 -0.416 RESID 91 (K): C 180.900 180.900 177.868 3.032 RESID 91 (K): CA 59.830 59.830 58.824 1.006 RESID 91 (K): CB 32.700 32.700 32.702 -0.002 RESID 91 (K): H 7.844 7.844 8.083 -0.239 RESID 92 (E): N 122.300 122.300 117.224 5.076 RESID 92 (E): C 178.600 178.600 177.100 1.500 RESID 92 (E): CA 59.590 59.590 57.309 2.281 RESID 92 (E): CB 29.740 29.740 30.398 -0.658 RESID 92 (E): H 8.178 8.178 7.694 0.484 RESID 93 (R): N 115.300 115.300 118.427 -3.127 RESID 93 (R): C 175.000 175.000 174.678 0.322 RESID 93 (R): CA 56.320 56.320 55.531 0.789 RESID 93 (R): CB 29.390 29.390 30.923 -1.533 RESID 93 (R): H 7.776 7.776 8.047 -0.271 RESID 94 (K): N 116.800 116.800 115.000 1.800 RESID 94 (K): C 176.400 176.400 175.735 0.665 RESID 94 (K): CA 56.950 56.950 57.622 -0.672 RESID 94 (K): CB 28.870 28.870 30.303 -1.433 RESID 94 (K): H 7.697 7.697 8.420 -0.723 RESID 95 (L): N 120.600 120.600 121.719 -1.119 RESID 95 (L): C 177.200 177.200 176.932 0.268 RESID 95 (L): CA 56.710 56.710 55.963 0.747 RESID 95 (L): CB 43.480 43.480 42.477 1.003 RESID 95 (L): H 7.708 7.708 7.653 0.055 RESID 96 (Q): N 124.900 124.900 124.541 0.359 RESID 96 (Q): C 175.000 175.000 175.973 -0.973 RESID 96 (Q): CA 55.570 55.570 54.946 0.624 RESID 96 (Q): CB 30.080 30.080 29.758 0.322 RESID 96 (Q): H 7.526 7.526 8.413 -0.887 RESID 97 (R): N 126.000 126.000 119.571 6.429 RESID 97 (R): C 176.800 176.800 176.219 0.581 RESID 97 (R): CA 55.610 55.610 56.619 -1.009 RESID 97 (R): CB 31.840 31.840 30.219 1.621 RESID 97 (R): H 9.039 9.039 8.543 0.496 RESID 98 (L): N 126.500 126.500 123.042 3.458 RESID 98 (L): C 175.400 175.400 175.820 -0.420 RESID 98 (L): CA 56.610 56.610 54.206 2.404 RESID 98 (L): CB 47.140 47.140 43.786 3.354 RESID 98 (L): H 8.247 8.247 8.700 -0.453 RESID 99 (Y): N 110.000 110.000 112.019 -2.019 RESID 99 (Y): C 173.200 173.200 174.594 -1.394 RESID 99 (Y): CA 55.320 55.320 56.149 -0.829 RESID 99 (Y): CB 38.350 38.350 39.335 -0.985 RESID 99 (Y): H 6.465 6.465 7.820 -1.355 RESID 100 (I): N 120.000 120.000 126.190 -6.190 RESID 100 (I): C 176.800 176.800 177.143 -0.343 RESID 100 (I): CA 61.290 61.290 63.107 -1.817 RESID 100 (I): CB 39.980 39.980 36.402 3.578 RESID 100 (I): H 8.725 8.725 8.620 0.105 RESID 101 (G): N 114.800 114.800 113.914 0.886 RESID 101 (G): C 173.400 173.400 174.095 -0.695 RESID 101 (G): CA 47.030 47.030 44.821 2.209 RESID 101 (G): H 8.224 8.224 8.467 -0.243 RESID 102 (E): N 129.600 129.600 118.670 10.930 RESID 102 (E): C 173.700 173.700 174.470 -0.770 RESID 102 (E): CA 54.480 54.480 54.003 0.477 RESID 102 (E): CB 29.790 29.790 27.754 2.036 RESID 102 (E): H 8.294 8.294 8.003 0.291 RESID 103 (P): C 175.400 175.400 176.231 -0.831 RESID 103 (P): CA 62.040 62.040 63.412 -1.372 RESID 103 (P): CB 32.570 32.570 32.667 -0.097 RESID 104 (S): N 111.900 111.900 117.083 -5.183 RESID 104 (S): C 174.800 174.800 174.623 0.177 RESID 104 (S): CA 55.340 55.340 58.504 -3.164 RESID 104 (S): CB 64.330 64.330 64.405 -0.075 RESID 104 (S): H 5.412 5.412 7.975 -2.563 RESID 105 (A): N 130.200 130.200 129.950 0.250 RESID 105 (A): C 179.400 179.400 179.050 0.350 RESID 105 (A): CA 55.070 55.070 54.310 0.760 RESID 105 (A): CB 18.210 18.210 19.114 -0.904 RESID 105 (A): H 9.211 9.211 8.880 0.331 RESID 106 (E): N 119.800 119.800 119.461 0.339 RESID 106 (E): C 179.300 179.300 178.863 0.437 RESID 106 (E): CA 60.270 60.270 59.034 1.236 RESID 106 (E): CB 28.990 28.990 29.465 -0.475 RESID 106 (E): H 8.731 8.731 8.583 0.148 RESID 107 (A): N 121.600 121.600 122.403 -0.803 RESID 107 (A): C 180.100 180.100 179.779 0.321 RESID 107 (A): CA 54.650 54.650 55.089 -0.439 RESID 107 (A): CB 19.220 19.220 18.381 0.839 RESID 107 (A): H 7.682 7.682 7.868 -0.186 RESID 108 (V): N 116.600 116.600 118.246 -1.646 RESID 108 (V): C 177.700 177.700 178.632 -0.932 RESID 108 (V): CA 66.920 66.920 65.771 1.149 RESID 108 (V): CB 31.430 31.430 31.103 0.327 RESID 108 (V): H 7.015 7.015 7.543 -0.528 RESID 109 (A): N 121.400 121.400 123.373 -1.973 RESID 109 (A): C 181.100 181.100 179.295 1.805 RESID 109 (A): CA 55.540 55.540 55.009 0.531 RESID 109 (A): CB 17.900 17.900 18.103 -0.203 RESID 109 (A): H 8.262 8.262 8.205 0.057 RESID 110 (A): N 118.800 118.800 119.546 -0.746 RESID 110 (A): C 178.900 178.900 178.632 0.268 RESID 110 (A): CA 54.300 54.300 54.543 -0.243 RESID 110 (A): CB 18.460 18.460 18.491 -0.031 RESID 110 (A): H 7.607 7.607 7.929 -0.323 RESID 111 (Q): N 113.500 113.500 114.585 -1.085 RESID 111 (Q): C 174.900 174.900 175.949 -1.049 RESID 111 (Q): CA 55.160 55.160 54.225 0.935 RESID 111 (Q): CB 28.450 28.450 28.601 -0.151 RESID 111 (Q): H 7.148 7.148 7.433 -0.285 RESID 112 (M): N 114.700 114.700 120.904 -6.204 RESID 112 (M): C 173.300 173.300 173.232 0.068 RESID 112 (M): CA 55.900 55.900 55.546 0.354 RESID 112 (M): CB 30.300 30.300 31.744 -1.444 RESID 112 (M): H 7.882 7.882 7.957 -0.075 RESID 113 (P): C 176.700 176.700 176.233 0.467 RESID 113 (P): CA 62.820 62.820 62.585 0.235 RESID 113 (P): CB 33.340 33.340 32.960 0.380 RESID 114 (D): N 115.800 115.800 118.020 -2.220 RESID 114 (D): C 175.900 175.900 175.971 -0.071 RESID 114 (D): CA 53.150 53.150 55.230 -2.080 RESID 114 (D): CB 40.990 40.990 42.855 -1.865 RESID 114 (D): H 8.850 8.850 8.231 0.619 RESID 115 (L): C 174.900 174.900 174.283 0.617 RESID 115 (L): CA 52.800 52.800 54.202 -1.402 RESID 116 (I): N 123.500 123.500 126.328 -2.828 RESID 116 (I): CA 60.270 60.270 60.370 -0.100 RESID 116 (I): H 9.340 9.340 8.006 1.334 RESID 118 (I): C 174.400 174.400 175.372 -0.972 RESID 118 (I): CA 60.250 60.250 59.821 0.429 RESID 118 (I): CB 42.610 42.610 41.601 1.009 RESID 119 (S): N 121.600 121.600 121.178 0.422 RESID 119 (S): C 175.700 175.700 175.096 0.604 RESID 119 (S): CA 57.150 57.150 57.744 -0.594 RESID 119 (S): CB 65.280 65.280 64.608 0.672 RESID 119 (S): H 9.575 9.575 8.536 1.039 RESID 120 (A): N 126.000 126.000 124.421 1.579 RESID 120 (A): C 176.900 176.900 177.378 -0.478 RESID 120 (A): CA 54.300 54.300 54.347 -0.047 RESID 120 (A): CB 20.530 20.530 19.009 1.521 RESID 120 (A): H 8.143 8.143 8.652 -0.509 RESID 121 (T): N 106.400 106.400 110.560 -4.160 RESID 121 (T): C 173.000 173.000 173.091 -0.091 RESID 121 (T): CA 59.450 59.450 61.910 -2.460 RESID 121 (T): CB 72.310 72.310 70.712 1.598 RESID 121 (T): H 7.617 7.617 7.832 -0.215 RESID 122 (G): N 104.200 104.200 110.692 -6.492 RESID 122 (G): C 177.200 177.200 174.125 3.075 RESID 122 (G): CA 44.430 44.430 45.200 -0.770 RESID 122 (G): H 7.998 7.998 7.837 0.161 RESID 123 (G): C 174.100 174.100 174.311 -0.211 RESID 123 (G): CA 46.710 46.710 45.666 1.044 RESID 124 (D): N 116.900 116.900 119.313 -2.413 RESID 124 (D): C 176.900 176.900 175.925 0.975 RESID 124 (D): CA 52.320 52.320 52.901 -0.581 RESID 124 (D): CB 40.690 40.690 40.635 0.055 RESID 124 (D): H 8.617 8.617 7.791 0.826 RESID 125 (S): N 115.100 115.100 119.212 -4.112 RESID 125 (S): C 176.900 176.900 175.243 1.657 RESID 125 (S): CA 58.750 58.750 58.682 0.068 RESID 125 (S): CB 64.190 64.190 64.054 0.136 RESID 125 (S): H 7.322 7.322 8.425 -1.103 RESID 126 (A): N 134.900 134.900 130.128 4.772 RESID 126 (A): C 176.700 176.700 178.653 -1.953 RESID 126 (A): CA 51.150 51.150 53.500 -2.350 RESID 126 (A): CB 16.850 16.850 19.087 -2.237 RESID 126 (A): H 8.837 8.837 8.583 0.254 RESID 127 (L): N 121.000 121.000 121.023 -0.023 RESID 127 (L): C 178.900 178.900 178.361 0.539 RESID 127 (L): CA 58.730 58.730 57.255 1.474 RESID 127 (L): CB 42.840 42.840 41.607 1.233 RESID 127 (L): H 7.353 7.353 8.153 -0.800 RESID 128 (A): N 121.600 121.600 118.205 3.395 RESID 128 (A): C 178.900 178.900 178.169 0.731 RESID 128 (A): CA 55.010 55.010 54.200 0.810 RESID 128 (A): CB 18.200 18.200 18.695 -0.495 RESID 128 (A): H 8.918 8.918 7.630 1.288 RESID 129 (L): N 116.800 116.800 116.237 0.563 RESID 129 (L): C 177.000 177.000 177.897 -0.897 RESID 129 (L): CA 53.930 53.930 55.196 -1.266 RESID 129 (L): CB 42.710 42.710 43.081 -0.371 RESID 129 (L): H 7.776 7.776 7.416 0.360 RESID 130 (Y): N 122.000 122.000 122.899 -0.899 RESID 130 (Y): C 177.100 177.100 176.805 0.295 RESID 130 (Y): CA 64.420 64.420 62.887 1.533 RESID 130 (Y): CB 39.470 39.470 38.419 1.051 RESID 130 (Y): H 7.891 7.891 8.984 -1.093 RESID 131 (D): N 119.000 119.000 117.842 1.158 RESID 131 (D): C 178.300 178.300 178.396 -0.096 RESID 131 (D): CA 58.040 58.040 57.418 0.622 RESID 131 (D): CB 39.660 39.660 39.357 0.303 RESID 131 (D): H 9.014 9.014 8.094 0.920 RESID 132 (Q): N 118.900 118.900 119.888 -0.988 RESID 132 (Q): C 179.100 179.100 178.822 0.278 RESID 132 (Q): CA 58.930 58.930 58.734 0.196 RESID 132 (Q): CB 29.320 29.320 28.738 0.582 RESID 132 (Q): H 7.814 7.814 7.960 -0.146 RESID 133 (L): N 119.700 119.700 120.022 -0.322 RESID 133 (L): C 177.900 177.900 178.615 -0.715 RESID 133 (L): CA 57.910 57.910 57.588 0.322 RESID 133 (L): CB 40.980 40.980 41.787 -0.807 RESID 133 (L): H 8.450 8.450 8.901 -0.451 RESID 134 (S): N 111.800 111.800 115.023 -3.223 RESID 134 (S): C 175.500 175.500 176.006 -0.506 RESID 134 (S): CA 61.160 61.160 60.836 0.324 RESID 134 (S): CB 63.450 63.450 62.654 0.796 RESID 134 (S): H 8.128 8.128 8.459 -0.331 RESID 135 (T): N 111.100 111.100 116.325 -5.225 RESID 135 (T): C 175.300 175.300 176.481 -1.181 RESID 135 (T): CA 63.230 63.230 65.271 -2.041 RESID 135 (T): CB 69.670 69.670 69.014 0.656 RESID 135 (T): H 6.953 6.953 7.603 -0.650 RESID 136 (I): N 124.400 124.400 120.445 3.955 RESID 136 (I): C 175.800 175.800 175.556 0.244 RESID 136 (I): CA 63.940 63.940 63.998 -0.059 RESID 136 (I): CB 38.870 38.870 38.525 0.345 RESID 136 (I): H 7.694 7.694 7.278 0.416 RESID 137 (A): N 120.500 120.500 118.532 1.968 RESID 137 (A): C 172.300 172.300 173.914 -1.614 RESID 137 (A): CA 50.470 50.470 50.619 -0.149 RESID 137 (A): CB 19.320 19.320 19.453 -0.133 RESID 137 (A): H 7.540 7.540 8.016 -0.476 RESID 138 (P): C 174.700 174.700 176.158 -1.458 RESID 138 (P): CA 64.700 64.700 63.465 1.235 RESID 138 (P): CB 31.610 31.610 31.857 -0.247 RESID 139 (T): N 122.000 122.000 119.920 2.080 RESID 139 (T): C 173.900 173.900 173.939 -0.039 RESID 139 (T): CA 61.630 61.630 62.949 -1.319 RESID 139 (T): CB 71.540 71.540 69.554 1.986 RESID 139 (T): H 7.990 7.990 7.987 0.003 RESID 140 (L): C 174.900 174.900 174.307 0.593 RESID 140 (L): CA 52.740 52.740 53.533 -0.793 RESID 140 (L): CB 46.680 46.680 45.957 0.723 RESID 141 (I): N 123.500 123.500 125.928 -2.428 RESID 141 (I): C 175.700 175.700 174.585 1.115 RESID 141 (I): CA 60.250 60.250 61.265 -1.015 RESID 141 (I): CB 39.590 39.590 38.463 1.127 RESID 141 (I): H 9.345 9.345 7.912 1.433 RESID 142 (I): N 129.000 129.000 127.080 1.920 RESID 142 (I): C 174.400 174.400 174.197 0.203 RESID 142 (I): CA 57.930 57.930 59.864 -1.934 RESID 142 (I): CB 39.690 39.690 41.999 -2.309 RESID 142 (I): H 9.030 9.030 8.844 0.186 RESID 143 (N): N 129.100 129.100 124.109 4.991 RESID 143 (N): C 174.700 174.700 174.255 0.445 RESID 143 (N): CA 51.390 51.390 53.303 -1.913 RESID 143 (N): CB 39.720 39.720 39.613 0.107 RESID 143 (N): H 9.388 9.388 8.673 0.715 RESID 144 (Y): N 119.900 119.900 125.885 -5.985 RESID 144 (Y): C 176.500 176.500 174.765 1.735 RESID 144 (Y): CA 55.820 55.820 59.479 -3.659 RESID 144 (Y): CB 39.120 39.120 39.303 -0.183 RESID 144 (Y): H 8.491 8.491 8.278 0.213 RESID 145 (D): N 125.200 125.200 124.452 0.748 RESID 145 (D): C 176.800 176.800 175.033 1.767 RESID 145 (D): CA 55.220 55.220 55.428 -0.208 RESID 145 (D): CB 43.120 43.120 39.777 3.343 RESID 145 (D): H 8.800 8.800 8.360 0.440 RESID 146 (D): N 119.100 119.100 114.982 4.118 RESID 146 (D): C 175.200 175.200 175.258 -0.058 RESID 146 (D): CA 53.230 53.230 53.609 -0.379 RESID 146 (D): CB 40.760 40.760 42.448 -1.688 RESID 146 (D): H 7.571 7.571 8.623 -1.052 RESID 147 (K): N 114.100 114.100 119.866 -5.766 RESID 147 (K): C 175.000 175.000 175.277 -0.277 RESID 147 (K): CA 54.070 54.070 55.620 -1.550 RESID 147 (K): CB 33.340 33.340 35.080 -1.740 RESID 147 (K): H 7.018 7.018 7.569 -0.551 RESID 148 (S): N 118.300 118.300 118.817 -0.517 RESID 148 (S): C 175.700 175.700 176.078 -0.378 RESID 148 (S): CA 57.120 57.120 57.181 -0.062 RESID 148 (S): CB 64.970 64.970 64.265 0.705 RESID 148 (S): H 8.709 8.709 8.484 0.225 RESID 149 (W): N 121.700 121.700 119.933 1.767 RESID 149 (W): C 179.300 179.300 177.239 2.061 RESID 149 (W): CA 59.890 59.890 58.568 1.322 RESID 149 (W): CB 27.660 27.660 28.390 -0.730 RESID 149 (W): H 8.779 8.779 8.903 -0.124 RESID 150 (Q): N 124.600 124.600 121.411 3.189 RESID 150 (Q): C 178.100 178.100 177.812 0.288 RESID 150 (Q): CA 61.660 61.660 58.288 3.372 RESID 150 (Q): CB 26.550 26.550 27.745 -1.195 RESID 150 (Q): H 8.369 8.369 6.755 1.614 RESID 151 (S): N 117.500 117.500 116.181 1.319 RESID 151 (S): C 177.500 177.500 177.007 0.493 RESID 151 (S): CA 61.760 61.760 61.162 0.598 RESID 151 (S): CB 63.360 63.360 62.746 0.614 RESID 151 (S): H 7.769 7.769 7.741 0.028 RESID 152 (L): N 125.200 125.200 122.909 2.291 RESID 152 (L): C 178.700 178.700 178.128 0.572 RESID 152 (L): CA 58.320 58.320 57.933 0.387 RESID 152 (L): CB 41.980 41.980 41.684 0.296 RESID 152 (L): H 8.460 8.460 8.393 0.067 RESID 153 (L): N 119.200 119.200 118.630 0.570 RESID 153 (L): C 179.700 179.700 178.667 1.033 RESID 153 (L): CA 58.960 58.960 57.534 1.426 RESID 153 (L): CB 41.270 41.270 41.363 -0.093 RESID 153 (L): H 8.562 8.562 7.635 0.927 RESID 154 (T): N 116.300 116.300 112.819 3.481 RESID 154 (T): C 177.200 177.200 176.893 0.307 RESID 154 (T): CA 67.290 67.290 65.988 1.302 RESID 154 (T): CB 68.640 68.640 68.104 0.536 RESID 154 (T): H 8.004 8.004 7.866 0.138 RESID 155 (Q): N 124.500 124.500 121.024 3.476 RESID 155 (Q): C 179.200 179.200 178.031 1.169 RESID 155 (Q): CA 59.710 59.710 58.346 1.364 RESID 155 (Q): CB 28.620 28.620 28.363 0.257 RESID 155 (Q): H 8.230 8.230 7.931 0.299 RESID 156 (L): C 180.900 180.900 179.268 1.632 RESID 156 (L): CA 57.540 57.540 56.917 0.623 RESID 156 (L): CB 41.710 41.710 41.839 -0.129 RESID 157 (G): N 112.800 112.800 107.013 5.787 RESID 157 (G): C 174.500 174.500 175.054 -0.554 RESID 157 (G): CA 48.300 48.300 46.502 1.798 RESID 157 (G): H 9.216 9.216 8.026 1.190 RESID 158 (E): N 123.500 123.500 118.705 4.795 RESID 158 (E): C 177.800 177.800 177.178 0.622 RESID 158 (E): CA 59.120 59.120 57.890 1.230 RESID 158 (E): CB 29.700 29.700 29.397 0.303 RESID 158 (E): H 7.480 7.480 7.462 0.018 RESID 160 (T): C 178.300 178.300 176.002 2.298 RESID 160 (T): CA 61.930 61.930 63.099 -1.169 RESID 160 (T): CB 71.830 71.830 69.201 2.629 RESID 161 (G): N 113.600 113.600 113.899 -0.299 RESID 161 (G): C 174.600 174.600 174.166 0.434 RESID 161 (G): CA 48.130 48.130 46.883 1.247 RESID 161 (G): H 8.114 8.114 8.994 -0.880 RESID 162 (H): N 121.000 121.000 116.127 4.873 RESID 162 (H): C 174.000 174.000 176.177 -2.177 RESID 162 (H): CA 55.370 55.370 55.874 -0.504 RESID 162 (H): CB 28.280 28.280 31.255 -2.975 RESID 162 (H): H 8.506 8.506 7.837 0.669 RESID 163 (E): N 123.900 123.900 122.133 1.767 RESID 163 (E): C 180.800 180.800 178.468 2.332 RESID 163 (E): CA 61.160 61.160 59.746 1.414 RESID 163 (E): CB 28.720 28.720 29.151 -0.431 RESID 163 (E): H 10.300 10.300 8.765 1.535 RESID 164 (K): N 120.600 120.600 119.501 1.099 RESID 164 (K): C 178.700 178.700 178.714 -0.014 RESID 164 (K): CA 59.590 59.590 59.951 -0.361 RESID 164 (K): CB 32.280 32.280 32.094 0.186 RESID 164 (K): H 8.789 8.789 8.412 0.377 RESID 165 (Q): N 119.500 119.500 118.168 1.332 RESID 165 (Q): C 178.800 178.800 178.401 0.399 RESID 165 (Q): CA 60.870 60.870 58.750 2.120 RESID 165 (Q): CB 28.120 28.120 28.276 -0.156 RESID 165 (Q): H 8.058 8.058 8.111 -0.053 RESID 166 (A): N 121.100 121.100 122.435 -1.335 RESID 166 (A): C 178.000 178.000 179.426 -1.426 RESID 166 (A): CA 56.280 56.280 54.959 1.321 RESID 166 (A): CB 18.300 18.300 18.074 0.226 RESID 166 (A): H 7.873 7.873 8.057 -0.184 RESID 167 (A): N 117.900 117.900 120.946 -3.046 RESID 167 (A): C 181.500 181.500 179.609 1.891 RESID 167 (A): CA 55.100 55.100 55.262 -0.162 RESID 167 (A): CB 17.860 17.860 18.166 -0.306 RESID 167 (A): H 7.642 7.642 8.766 -1.124 RESID 168 (E): N 120.100 120.100 118.563 1.537 RESID 168 (E): C 179.600 179.600 179.133 0.467 RESID 168 (E): CA 59.610 59.610 59.613 -0.003 RESID 168 (E): CB 29.790 29.790 29.339 0.451 RESID 168 (E): H 8.230 8.230 7.907 0.323 RESID 170 (I): C 177.700 177.700 177.695 0.005 RESID 170 (I): CA 66.880 66.880 65.291 1.589 RESID 170 (I): CB 39.310 39.310 37.957 1.353 RESID 171 (A): N 120.700 120.700 123.210 -2.510 RESID 171 (A): C 181.200 181.200 179.834 1.366 RESID 171 (A): CA 55.290 55.290 55.640 -0.350 RESID 171 (A): CB 18.260 18.260 18.111 0.149 RESID 171 (A): H 8.000 8.000 8.778 -0.778 RESID 172 (Q): N 120.600 120.600 118.043 2.557 RESID 172 (Q): C 179.200 179.200 178.581 0.619 RESID 172 (Q): CA 59.210 59.210 58.517 0.693 RESID 172 (Q): CB 28.340 28.340 28.596 -0.256 RESID 172 (Q): H 8.585 8.585 7.948 0.637 RESID 173 (F): N 122.500 122.500 122.566 -0.066 RESID 173 (F): C 176.400 176.400 177.395 -0.995 RESID 173 (F): CA 62.710 62.710 61.090 1.620 RESID 173 (F): CB 39.490 39.490 39.129 0.361 RESID 173 (F): H 8.457 8.457 8.752 -0.295 RESID 174 (D): N 121.000 121.000 120.123 0.877 RESID 174 (D): C 180.300 180.300 178.881 1.419 RESID 174 (D): CA 58.040 58.040 57.492 0.548 RESID 174 (D): CB 40.160 40.160 40.254 -0.094 RESID 174 (D): H 8.771 8.771 9.040 -0.269 RESID 175 (K): N 121.300 121.300 120.223 1.077 RESID 175 (K): C 179.800 179.800 178.632 1.168 RESID 175 (K): CA 59.630 59.630 59.637 -0.007 RESID 175 (K): CB 32.710 32.710 32.396 0.314 RESID 175 (K): H 8.125 8.125 8.195 -0.070 RESID 176 (Q): N 121.600 121.600 119.520 2.080 RESID 176 (Q): C 179.100 179.100 178.329 0.771 RESID 176 (Q): CA 58.460 58.460 58.941 -0.481 RESID 176 (Q): CB 27.990 27.990 28.522 -0.532 RESID 176 (Q): H 8.164 8.164 7.821 0.343 RESID 177 (L): N 125.600 125.600 119.572 6.028 RESID 177 (L): C 178.400 178.400 178.671 -0.271 RESID 177 (L): CA 59.890 59.890 57.229 2.661 RESID 177 (L): CB 41.200 41.200 41.361 -0.161 RESID 177 (L): H 8.944 8.944 7.739 1.205 RESID 178 (A): N 121.500 121.500 122.573 -1.073 RESID 178 (A): C 180.600 180.600 179.225 1.375 RESID 178 (A): CA 55.390 55.390 55.194 0.196 RESID 178 (A): CB 17.970 17.970 17.878 0.092 RESID 178 (A): H 7.690 7.690 8.216 -0.526 RESID 179 (A): N 120.200 120.200 121.007 -0.807 RESID 179 (A): C 180.600 180.600 179.885 0.715 RESID 179 (A): CA 54.860 54.860 54.524 0.336 RESID 179 (A): CB 18.190 18.190 18.595 -0.405 RESID 179 (A): H 7.706 7.706 7.659 0.047 RESID 180 (A): N 121.800 121.800 121.807 -0.007 RESID 180 (A): C 179.200 179.200 179.102 0.098 RESID 180 (A): CA 55.490 55.490 54.745 0.745 RESID 180 (A): CB 17.920 17.920 18.192 -0.272 RESID 180 (A): H 8.171 8.171 7.993 0.178 RESID 181 (K): N 118.100 118.100 117.959 0.141 RESID 181 (K): C 178.000 178.000 178.102 -0.102 RESID 181 (K): CA 59.830 59.830 59.199 0.631 RESID 181 (K): CB 33.340 33.340 32.642 0.698 RESID 181 (K): H 8.342 8.342 8.319 0.023 RESID 182 (E): N 114.400 114.400 116.553 -2.153 RESID 182 (E): C 177.300 177.300 177.430 -0.130 RESID 182 (E): CA 57.870 57.870 57.132 0.738 RESID 182 (E): CB 30.320 30.320 29.234 1.086 RESID 182 (E): H 7.153 7.153 7.727 -0.574 RESID 183 (Q): N 116.700 116.700 117.384 -0.684 RESID 183 (Q): C 177.200 177.200 176.174 1.026 RESID 183 (Q): CA 57.060 57.060 56.818 0.242 RESID 183 (Q): CB 31.550 31.550 31.145 0.405 RESID 183 (Q): H 7.458 7.458 7.648 -0.190 RESID 184 (I): N 117.800 117.800 115.868 1.932 RESID 184 (I): C 175.200 175.200 174.239 0.961 RESID 184 (I): CA 63.000 63.000 59.740 3.260 RESID 184 (I): CB 40.300 40.300 39.968 0.332 RESID 184 (I): H 7.723 7.723 7.435 0.288 RESID 185 (K): N 127.700 127.700 122.896 4.804 RESID 185 (K): C 175.600 175.600 175.618 -0.018 RESID 185 (K): CA 54.550 54.550 55.121 -0.571 RESID 185 (K): CB 31.600 31.600 34.523 -2.923 RESID 185 (K): H 8.743 8.743 7.911 0.832 RESID 186 (L): N 124.700 124.700 125.751 -1.051 RESID 186 (L): C 175.700 175.700 175.902 -0.202 RESID 186 (L): CA 54.240 54.240 51.865 2.375 RESID 186 (L): CB 41.050 41.050 40.661 0.389 RESID 186 (L): H 8.051 8.051 8.480 -0.429 RESID 188 (P): C 174.800 174.800 176.251 -1.451 RESID 188 (P): CA 65.060 65.060 63.595 1.465 RESID 188 (P): CB 32.670 32.670 31.686 0.984 RESID 189 (Q): N 121.300 121.300 120.580 0.720 RESID 189 (Q): C 174.800 174.800 173.104 1.696 RESID 189 (Q): CA 52.330 52.330 54.718 -2.388 RESID 189 (Q): CB 31.350 31.350 30.458 0.892 RESID 189 (Q): H 8.061 8.061 8.228 -0.167 RESID 190 (P): C 175.500 175.500 175.581 -0.081 RESID 190 (P): CA 62.820 62.820 62.355 0.465 RESID 190 (P): CB 35.450 35.450 32.633 2.817 RESID 191 (V): N 112.600 112.600 121.675 -9.075 RESID 191 (V): C 174.300 174.300 173.973 0.327 RESID 191 (V): CA 59.740 59.740 59.508 0.232 RESID 191 (V): CB 35.030 35.030 34.704 0.326 RESID 191 (V): H 9.214 9.214 8.557 0.657 RESID 192 (T): N 120.700 120.700 113.291 7.409 RESID 192 (T): C 172.300 172.300 172.085 0.215 RESID 192 (T): CA 63.030 63.030 59.524 3.506 RESID 192 (T): CB 71.550 71.550 71.252 0.298 RESID 192 (T): H 8.462 8.462 8.318 0.144 RESID 193 (A): N 132.900 132.900 122.977 9.923 RESID 193 (A): C 175.400 175.400 175.405 -0.005 RESID 193 (A): CA 50.570 50.570 51.122 -0.552 RESID 193 (A): CB 21.140 21.140 21.446 -0.306 RESID 193 (A): H 10.170 10.170 8.558 1.612 RESID 194 (I): N 115.400 115.400 117.473 -2.073 RESID 194 (I): C 176.600 176.600 173.702 2.898 RESID 194 (I): CA 59.540 59.540 60.008 -0.468 RESID 194 (I): CB 43.930 43.930 42.120 1.810 RESID 194 (I): H 9.269 9.269 8.535 0.734 RESID 195 (V): N 118.500 118.500 122.785 -4.285 RESID 195 (V): C 176.200 176.200 174.070 2.130 RESID 195 (V): CA 63.190 63.190 61.395 1.795 RESID 195 (V): CB 34.870 34.870 34.731 0.139 RESID 195 (V): H 8.484 8.484 8.637 -0.153 RESID 196 (Y): N 132.200 132.200 129.475 2.725 RESID 196 (Y): C 174.700 174.700 174.155 0.545 RESID 196 (Y): CA 57.000 57.000 57.418 -0.418 RESID 196 (Y): CB 41.250 41.250 40.198 1.052 RESID 196 (Y): H 9.989 9.989 8.985 1.004 RESID 197 (T): N 124.900 124.900 123.427 1.473 RESID 197 (T): C 174.300 174.300 173.372 0.928 RESID 197 (T): CA 60.740 60.740 60.633 0.107 RESID 197 (T): CB 68.560 68.560 71.591 -3.031 RESID 197 (T): H 8.262 8.262 7.832 0.430 RESID 198 (A): N 130.500 130.500 130.807 -0.307 RESID 198 (A): C 180.400 180.400 179.204 1.196 RESID 198 (A): CA 55.510 55.510 54.346 1.164 RESID 198 (A): CB 18.480 18.480 18.396 0.084 RESID 198 (A): H 8.524 8.524 8.849 -0.325 RESID 199 (A): N 118.700 118.700 123.493 -4.793 RESID 199 (A): C 177.700 177.700 178.719 -1.019 RESID 199 (A): CA 54.350 54.350 54.852 -0.502 RESID 199 (A): CB 18.350 18.350 17.947 0.403 RESID 199 (A): H 8.578 8.578 8.279 0.299 RESID 200 (A): N 116.700 116.700 120.533 -3.833 RESID 200 (A): C 176.600 176.600 177.251 -0.651 RESID 200 (A): CA 51.290 51.290 52.080 -0.790 RESID 200 (A): CB 20.180 20.180 18.861 1.319 RESID 200 (A): H 6.638 6.638 8.096 -1.458 RESID 201 (H): N 116.900 116.900 116.512 0.388 RESID 201 (H): C 172.900 172.900 173.398 -0.498 RESID 201 (H): CA 56.710 56.710 56.327 0.383 RESID 201 (H): CB 27.820 27.820 28.253 -0.433 RESID 201 (H): H 7.569 7.569 7.778 -0.209 RESID 202 (S): N 110.500 110.500 114.464 -3.964 RESID 202 (S): C 171.500 171.500 171.459 0.041 RESID 202 (S): CA 56.530 56.530 57.606 -1.076 RESID 202 (S): CB 66.170 66.170 66.305 -0.135 RESID 202 (S): H 7.109 7.109 7.802 -0.693 RESID 203 (A): N 120.900 120.900 123.849 -2.949 RESID 203 (A): C 174.900 174.900 175.282 -0.382 RESID 203 (A): CA 50.890 50.890 51.437 -0.547 RESID 203 (A): CB 24.510 24.510 22.212 2.298 RESID 203 (A): H 8.618 8.618 8.304 0.314 RESID 204 (N): N 118.900 118.900 118.825 0.075 RESID 204 (N): C 173.300 173.300 173.459 -0.159 RESID 204 (N): CA 51.520 51.520 52.079 -0.559 RESID 204 (N): CB 40.080 40.080 42.175 -2.095 RESID 204 (N): H 8.333 8.333 8.230 0.103 RESID 205 (L): N 127.200 127.200 121.714 5.486 RESID 205 (L): C 175.700 175.700 175.565 0.135 RESID 205 (L): CA 54.920 54.920 54.070 0.850 RESID 205 (L): CB 44.180 44.180 42.652 1.528 RESID 205 (L): H 9.265 9.265 7.612 1.653 RESID 206 (W): N 125.300 125.300 123.588 1.712 RESID 206 (W): C 177.100 177.100 176.058 1.042 RESID 206 (W): CA 56.630 56.630 57.467 -0.837 RESID 206 (W): CB 29.690 29.690 30.895 -1.205 RESID 206 (W): H 8.560 8.560 7.928 0.632 RESID 207 (T): N 112.000 112.000 110.159 1.841 RESID 207 (T): C 176.100 176.100 173.183 2.917 RESID 207 (T): CA 60.120 60.120 59.139 0.981 RESID 207 (T): CB 68.540 68.540 70.506 -1.966 RESID 207 (T): H 8.029 8.029 8.134 -0.105 RESID 208 (P): C 176.000 176.000 176.853 -0.853 RESID 208 (P): CA 66.120 66.120 65.406 0.714 RESID 208 (P): CB 31.950 31.950 32.163 -0.213 RESID 209 (E): N 112.300 112.300 115.014 -2.714 RESID 209 (E): C 177.100 177.100 176.806 0.294 RESID 209 (E): CA 57.280 57.280 57.195 0.085 RESID 209 (E): CB 29.760 29.760 30.148 -0.388 RESID 209 (E): H 7.612 7.612 7.965 -0.353 RESID 210 (S): N 115.800 115.800 115.093 0.707 RESID 210 (S): C 173.900 173.900 175.528 -1.628 RESID 210 (S): CA 58.060 58.060 59.157 -1.097 RESID 210 (S): CB 67.320 67.320 64.479 2.841 RESID 210 (S): H 7.654 7.654 7.430 0.224 RESID 211 (A): N 125.200 125.200 127.314 -2.114 RESID 211 (A): C 180.600 180.600 179.853 0.747 RESID 211 (A): CA 55.410 55.410 55.310 0.099 RESID 211 (A): CB 18.530 18.530 18.764 -0.234 RESID 211 (A): H 8.874 8.874 9.025 -0.151 RESID 212 (Q): N 119.200 119.200 118.621 0.579 RESID 212 (Q): C 177.100 177.100 178.013 -0.913 RESID 212 (Q): CA 61.410 61.410 58.963 2.447 RESID 212 (Q): CB 27.090 27.090 27.423 -0.333 RESID 212 (Q): H 8.493 8.493 8.476 0.017 RESID 213 (G): N 107.500 107.500 107.667 -0.167 RESID 213 (G): C 175.400 175.400 176.313 -0.913 RESID 213 (G): CA 47.520 47.520 46.830 0.690 RESID 213 (G): H 8.053 8.053 8.296 -0.243 RESID 214 (Q): N 120.700 120.700 121.471 -0.771 RESID 214 (Q): C 179.000 179.000 178.394 0.606 RESID 214 (Q): CA 59.150 59.150 58.862 0.288 RESID 214 (Q): CB 29.110 29.110 28.686 0.424 RESID 214 (Q): H 8.501 8.501 8.076 0.425 RESID 215 (M): N 119.200 119.200 120.614 -1.414 RESID 215 (M): C 177.800 177.800 178.174 -0.374 RESID 215 (M): CA 59.760 59.760 59.643 0.117 RESID 215 (M): CB 32.050 32.050 32.842 -0.791 RESID 215 (M): H 7.878 7.878 8.164 -0.286 RESID 216 (L): N 115.800 115.800 118.806 -3.006 RESID 216 (L): C 179.900 179.900 179.035 0.865 RESID 216 (L): CA 58.160 58.160 57.656 0.504 RESID 216 (L): CB 40.010 40.010 41.455 -1.445 RESID 216 (L): H 7.517 7.517 7.980 -0.463 RESID 217 (E): N 121.000 121.000 119.635 1.365 RESID 217 (E): C 182.200 182.200 179.235 2.965 RESID 217 (E): CA 60.210 60.210 58.926 1.284 RESID 217 (E): CB 29.150 29.150 29.420 -0.270 RESID 217 (E): H 8.377 8.377 8.167 0.210 RESID 218 (Q): N 122.300 122.300 117.072 5.228 RESID 218 (Q): C 178.100 178.100 178.737 -0.637 RESID 218 (Q): CA 59.220 59.220 58.206 1.014 RESID 218 (Q): CB 28.850 28.850 29.124 -0.274 RESID 218 (Q): H 8.464 8.464 7.923 0.541 RESID 219 (L): N 118.400 118.400 117.272 1.128 RESID 219 (L): C 175.200 175.200 177.483 -2.283 RESID 219 (L): CA 55.880 55.880 57.142 -1.262 RESID 219 (L): CB 44.330 44.330 42.892 1.438 RESID 219 (L): H 7.433 7.433 7.749 -0.316 RESID 220 (G): N 104.600 104.600 102.664 1.936 RESID 220 (G): C 174.700 174.700 172.929 1.771 RESID 220 (G): CA 44.750 44.750 44.684 0.066 RESID 220 (G): H 7.777 7.777 8.156 -0.379 RESID 221 (F): N 119.100 119.100 118.936 0.164 RESID 221 (F): C 175.200 175.200 174.343 0.857 RESID 221 (F): CA 57.900 57.900 55.962 1.938 RESID 221 (F): CB 38.930 38.930 42.775 -3.845 RESID 221 (F): H 8.001 8.001 7.776 0.225 RESID 222 (T): N 117.600 117.600 116.041 1.559 RESID 222 (T): C 173.900 173.900 173.388 0.512 RESID 222 (T): CA 61.790 61.790 61.203 0.588 RESID 222 (T): CB 71.360 71.360 69.733 1.627 RESID 222 (T): H 8.961 8.961 8.567 0.394 RESID 223 (L): N 128.300 128.300 127.124 1.176 RESID 223 (L): C 178.300 178.300 176.645 1.655 RESID 223 (L): CA 54.760 54.760 53.404 1.356 RESID 223 (L): CB 41.600 41.600 42.737 -1.137 RESID 223 (L): H 9.269 9.269 8.200 1.069 RESID 224 (A): N 126.800 126.800 128.072 -1.272 RESID 224 (A): C 177.400 177.400 175.856 1.544 RESID 224 (A): CA 52.460 52.460 50.986 1.474 RESID 224 (A): CB 18.650 18.650 20.832 -2.183 RESID 224 (A): H 9.077 9.077 8.096 0.981 RESID 225 (K): N 123.400 123.400 121.213 2.187 RESID 225 (K): C 176.800 176.800 176.190 0.610 RESID 225 (K): CA 55.600 55.600 55.582 0.018 RESID 225 (K): CB 33.080 33.080 32.907 0.173 RESID 225 (K): H 8.601 8.601 8.364 0.237 RESID 226 (L): N 126.200 126.200 128.023 -1.823 RESID 226 (L): C 175.500 175.500 175.608 -0.108 RESID 226 (L): CA 53.420 53.420 53.924 -0.504 RESID 226 (L): CB 41.720 41.720 41.248 0.472 RESID 226 (L): H 8.634 8.634 8.521 0.113 RESID 227 (P): C 176.800 176.800 177.066 -0.266 RESID 227 (P): CA 62.860 62.860 62.897 -0.037 RESID 227 (P): CB 32.360 32.360 32.182 0.178 RESID 228 (A): N 124.900 124.900 124.814 0.086 RESID 228 (A): C 179.500 179.500 178.466 1.034 RESID 228 (A): CA 54.120 54.120 53.391 0.729 RESID 228 (A): CB 18.710 18.710 18.703 0.007 RESID 228 (A): H 8.412 8.412 8.509 -0.097 RESID 229 (G): N 107.700 107.700 107.489 0.211 RESID 229 (G): C 175.000 175.000 175.996 -0.996 RESID 229 (G): CA 46.040 46.040 45.428 0.612 RESID 229 (G): H 8.565 8.565 8.094 0.471 RESID 230 (L): N 121.100 121.100 122.339 -1.239 RESID 230 (L): C 176.900 176.900 178.346 -1.446 RESID 230 (L): CA 55.620 55.620 55.532 0.088 RESID 230 (L): CB 42.630 42.630 41.684 0.945 RESID 230 (L): H 7.454 7.454 7.882 -0.428 RESID 231 (N): N 119.400 119.400 119.840 -0.440 RESID 231 (N): C 175.300 175.300 175.911 -0.611 RESID 231 (N): CA 53.650 53.650 56.137 -2.487 RESID 231 (N): CB 38.940 38.940 37.993 0.946 RESID 231 (N): H 8.211 8.211 8.039 0.172 RESID 232 (A): N 124.500 124.500 119.585 4.915 RESID 232 (A): C 178.100 178.100 178.066 0.034 RESID 232 (A): CA 53.110 53.110 51.698 1.412 RESID 232 (A): CB 19.340 19.340 18.040 1.300 RESID 232 (A): H 8.103 8.103 7.934 0.169 RESID 233 (S): N 115.200 115.200 115.233 -0.033 RESID 233 (S): C 175.100 175.100 175.581 -0.481 RESID 233 (S): CA 59.280 59.280 60.989 -1.709 RESID 233 (S): CB 64.280 64.280 63.334 0.946 RESID 233 (S): H 8.169 8.169 8.433 -0.264 RESID 234 (Q): N 122.100 122.100 120.644 1.456 RESID 234 (Q): C 176.400 176.400 175.682 0.718 RESID 234 (Q): CA 56.240 56.240 56.068 0.172 RESID 234 (Q): CB 29.490 29.490 30.812 -1.323 RESID 234 (Q): H 8.230 8.230 7.788 0.442 RESID 235 (S): N 117.100 117.100 118.080 -0.980 RESID 235 (S): C 174.900 174.900 174.660 0.240 RESID 235 (S): CA 58.910 58.910 58.889 0.021 RESID 235 (S): CB 64.510 64.510 62.902 1.608 RESID 235 (S): H 8.229 8.229 8.441 -0.212 RESID 236 (Q): N 122.300 122.300 127.147 -4.847 RESID 236 (Q): C 176.700 176.700 175.440 1.260 RESID 236 (Q): CA 56.610 56.610 55.491 1.119 RESID 236 (Q): CB 29.280 29.280 27.638 1.642 RESID 236 (Q): H 8.372 8.372 8.869 -0.497 RESID 237 (G): N 110.400 110.400 109.016 1.384 RESID 237 (G): C 174.100 174.100 172.961 1.139 RESID 237 (G): CA 45.720 45.720 45.469 0.251 RESID 237 (G): H 8.381 8.381 7.579 0.802 RESID 238 (K): N 120.500 120.500 121.476 -0.976 RESID 238 (K): C 176.600 176.600 175.489 1.111 RESID 238 (K): CA 56.490 56.490 56.008 0.482 RESID 238 (K): CB 33.320 33.320 32.771 0.549 RESID 238 (K): H 7.968 7.968 8.359 -0.391 RESID 239 (R): N 120.900 120.900 124.981 -4.081 RESID 239 (R): CA 56.130 56.130 55.947 0.183 RESID 239 (R): CB 31.560 31.560 30.908 0.652 RESID 239 (R): H 8.159 8.159 8.501 -0.341 RESID 240 (H): C 174.800 174.800 176.524 -1.724 RESID 240 (H): CA 55.740 55.740 58.611 -2.871 RESID 240 (H): CB 29.760 29.760 30.069 -0.309 RESID 241 (D): N 119.800 119.800 119.227 0.573 RESID 241 (D): C 174.700 174.700 176.272 -1.572 RESID 241 (D): CA 55.500 55.500 55.999 -0.499 RESID 241 (D): CB 40.550 40.550 41.223 -0.673 RESID 241 (D): H 9.052 9.052 8.394 0.658 RESID 242 (I): N 115.200 115.200 114.991 0.209 RESID 242 (I): C 175.600 175.600 174.392 1.208 RESID 242 (I): CA 59.090 59.090 59.400 -0.310 RESID 242 (I): CB 43.670 43.670 40.921 2.749 RESID 242 (I): H 7.087 7.087 7.411 -0.324 RESID 243 (I): N 125.100 125.100 126.080 -0.980 RESID 243 (I): C 175.300 175.300 174.267 1.033 RESID 243 (I): CA 60.340 60.340 60.642 -0.302 RESID 243 (I): CB 41.290 41.290 38.375 2.915 RESID 243 (I): H 8.746 8.746 8.532 0.214 RESID 244 (Q): N 128.400 128.400 127.534 0.866 RESID 244 (Q): C 175.300 175.300 174.252 1.048 RESID 244 (Q): CA 56.460 56.460 54.926 1.534 RESID 244 (Q): CB 29.800 29.800 29.798 0.002 RESID 244 (Q): H 8.768 8.768 8.598 0.170 RESID 245 (L): N 125.500 125.500 123.507 1.993 RESID 245 (L): C 176.200 176.200 176.606 -0.406 RESID 245 (L): CA 53.790 53.790 53.116 0.674 RESID 245 (L): CB 45.100 45.100 44.855 0.245 RESID 245 (L): H 8.640 8.640 8.350 0.290 RESID 246 (G): N 109.700 109.700 105.050 4.650 RESID 246 (G): C 174.200 174.200 174.333 -0.133 RESID 246 (G): CA 44.590 44.590 45.033 -0.443 RESID 246 (G): H 8.424 8.424 8.444 -0.020 RESID 247 (G): N 108.500 108.500 108.660 -0.160 RESID 247 (G): C 176.800 176.800 174.980 1.820 RESID 247 (G): CA 47.500 47.500 44.357 3.143 RESID 247 (G): H 8.666 8.666 7.738 0.928 RESID 248 (E): N 123.700 123.700 121.138 2.562 RESID 248 (E): C 177.300 177.300 176.523 0.777 RESID 248 (E): CA 58.560 58.560 57.502 1.058 RESID 248 (E): CB 29.330 29.330 29.233 0.097 RESID 248 (E): H 9.265 9.265 8.809 0.456 RESID 249 (N): N 116.700 116.700 116.446 0.254 RESID 249 (N): C 175.500 175.500 175.999 -0.499 RESID 249 (N): CA 53.490 53.490 53.661 -0.171 RESID 249 (N): CB 39.390 39.390 38.736 0.653 RESID 249 (N): H 7.963 7.963 7.620 0.343 RESID 250 (L): N 121.100 121.100 119.924 1.176 RESID 250 (L): C 177.100 177.100 178.097 -0.997 RESID 250 (L): CA 58.810 58.810 57.003 1.807 RESID 250 (L): CB 42.220 42.220 41.467 0.753 RESID 250 (L): H 7.104 7.104 7.793 -0.689 RESID 251 (A): N 117.400 117.400 122.438 -5.038 RESID 251 (A): C 179.500 179.500 178.166 1.334 RESID 251 (A): CA 55.340 55.340 54.656 0.684 RESID 251 (A): CB 17.960 17.960 18.390 -0.430 RESID 251 (A): H 8.141 8.141 8.313 -0.172 RESID 252 (A): N 117.400 117.400 118.610 -1.210 RESID 252 (A): C 179.100 179.100 178.322 0.778 RESID 252 (A): CA 53.990 53.990 52.389 1.601 RESID 252 (A): CB 18.970 18.970 18.965 0.004 RESID 252 (A): H 7.375 7.375 8.409 -1.034 RESID 253 (G): N 100.600 100.600 107.904 -7.304 RESID 253 (G): C 172.700 172.700 174.797 -2.097 RESID 253 (G): CA 45.380 45.380 45.020 0.360 RESID 253 (G): H 7.589 7.589 7.562 0.027 RESID 254 (L): N 124.800 124.800 122.837 1.963 RESID 254 (L): C 175.300 175.300 177.588 -2.288 RESID 254 (L): CA 53.020 53.020 54.872 -1.852 RESID 254 (L): CB 39.090 39.090 42.111 -3.021 RESID 254 (L): H 7.202 7.202 7.787 -0.585 RESID 255 (N): N 113.800 113.800 121.513 -7.713 RESID 255 (N): C 176.600 176.600 176.254 0.346 RESID 255 (N): CA 53.420 53.420 53.980 -0.560 RESID 255 (N): CB 37.600 37.600 38.822 -1.222 RESID 255 (N): H 7.701 7.701 8.844 -1.143 RESID 256 (G): N 109.100 109.100 106.629 2.471 RESID 256 (G): C 172.200 172.200 174.571 -2.371 RESID 256 (G): CA 45.790 45.790 45.342 0.448 RESID 256 (G): H 7.856 7.856 8.555 -0.699 RESID 257 (E): N 120.100 120.100 118.276 1.824 RESID 257 (E): C 176.900 176.900 175.551 1.349 RESID 257 (E): CA 57.880 57.880 56.511 1.369 RESID 257 (E): CB 29.760 29.760 30.498 -0.738 RESID 257 (E): H 8.443 8.443 8.659 -0.216 RESID 258 (S): N 107.500 107.500 113.424 -5.924 RESID 258 (S): C 172.500 172.500 172.544 -0.044 RESID 258 (S): CA 58.010 58.010 59.002 -0.992 RESID 258 (S): CB 66.360 66.360 63.861 2.499 RESID 258 (S): H 7.176 7.176 7.947 -0.771 RESID 259 (L): N 124.900 124.900 127.693 -2.793 RESID 259 (L): C 173.900 173.900 176.427 -2.527 RESID 259 (L): CA 53.630 53.630 54.548 -0.918 RESID 259 (L): CB 46.240 46.240 42.502 3.738 RESID 259 (L): H 8.969 8.969 8.011 0.958 RESID 260 (F): N 123.700 123.700 123.042 0.658 RESID 260 (F): C 174.200 174.200 176.030 -1.830 RESID 260 (F): CA 56.460 56.460 54.945 1.515 RESID 260 (F): CB 41.560 41.560 40.459 1.101 RESID 260 (F): H 9.295 9.295 8.149 1.146 RESID 261 (L): N 123.900 123.900 120.200 3.700 RESID 261 (L): C 177.600 177.600 177.104 0.496 RESID 261 (L): CA 54.010 54.010 53.184 0.825 RESID 261 (L): CB 41.470 41.470 45.505 -4.035 RESID 261 (L): H 9.034 9.034 8.172 0.862 RESID 262 (F): N 123.800 123.800 122.280 1.520 RESID 262 (F): C 175.500 175.500 175.836 -0.336 RESID 262 (F): CA 58.850 58.850 57.022 1.828 RESID 262 (F): CB 39.930 39.930 38.494 1.436 RESID 262 (F): H 9.338 9.338 9.110 0.228 RESID 263 (A): N 121.900 121.900 124.129 -2.229 RESID 263 (A): C 175.300 175.300 177.029 -1.729 RESID 263 (A): CA 53.630 53.630 52.648 0.982 RESID 263 (A): CB 19.700 19.700 16.812 2.888 RESID 263 (A): H 8.902 8.902 8.295 0.607 RESID 264 (G): N 104.500 104.500 111.539 -7.039 RESID 264 (G): C 171.100 171.100 172.731 -1.631 RESID 264 (G): CA 45.540 45.540 45.060 0.480 RESID 264 (G): H 6.746 6.746 7.867 -1.121 RESID 265 (D): N 122.300 122.300 122.691 -0.391 RESID 265 (D): C 177.300 177.300 177.272 0.028 RESID 265 (D): CA 51.660 51.660 52.774 -1.114 RESID 265 (D): CB 42.840 42.840 42.253 0.587 RESID 265 (D): H 9.052 9.052 8.117 0.935 RESID 266 (Q): N 118.400 118.400 119.614 -1.214 RESID 266 (Q): C 177.600 177.600 177.453 0.147 RESID 266 (Q): CA 58.620 58.620 59.063 -0.443 RESID 266 (Q): CB 28.490 28.490 28.647 -0.157 RESID 266 (Q): H 8.277 8.277 8.606 -0.329 RESID 267 (K): N 117.700 117.700 118.784 -1.084 RESID 267 (K): C 180.400 180.400 178.089 2.311 RESID 267 (K): CA 59.390 59.390 59.555 -0.165 RESID 267 (K): CB 31.440 31.440 31.788 -0.348 RESID 267 (K): H 7.879 7.879 7.921 -0.042 RESID 268 (D): N 121.600 121.600 119.655 1.945 RESID 268 (D): C 177.400 177.400 178.341 -0.941 RESID 268 (D): CA 57.980 57.980 56.980 1.000 RESID 268 (D): CB 41.550 41.550 40.252 1.298 RESID 268 (D): H 7.640 7.640 8.116 -0.476 RESID 269 (A): N 121.700 121.700 121.473 0.227 RESID 269 (A): C 179.000 179.000 178.416 0.584 RESID 269 (A): CA 55.640 55.640 54.925 0.715 RESID 269 (A): CB 17.490 17.490 18.195 -0.705 RESID 269 (A): H 7.370 7.370 7.623 -0.253 RESID 270 (D): N 118.200 118.200 118.009 0.191 RESID 270 (D): C 179.300 179.300 176.505 2.795 RESID 270 (D): CA 57.570 57.570 56.296 1.274 RESID 270 (D): CB 39.860 39.860 40.243 -0.383 RESID 270 (D): H 8.735 8.735 7.961 0.774 RESID 271 (A): N 122.900 122.900 119.892 3.008 RESID 271 (A): C 180.800 180.800 179.320 1.480 RESID 271 (A): CA 55.040 55.040 53.554 1.486 RESID 271 (A): CB 18.300 18.300 19.317 -1.017 RESID 271 (A): H 7.579 7.579 7.025 0.554 RESID 272 (I): N 0.000 0.000 120.474 -120.474 RESID 272 (I): C 178.300 178.300 176.959 1.341 RESID 272 (I): CA 63.880 63.880 64.650 -0.770 RESID 272 (I): CB 35.710 35.710 38.128 -2.418 RESID 272 (I): H 7.340 7.340 8.400 -1.060 RESID 273 (Y): N 116.300 116.300 116.988 -0.688 RESID 273 (Y): C 177.000 177.000 176.783 0.217 RESID 273 (Y): CA 61.100 61.100 58.288 2.812 RESID 273 (Y): CB 37.770 37.770 35.835 1.935 RESID 273 (Y): H 7.509 7.509 7.295 0.214 RESID 274 (A): N 118.600 118.600 121.857 -3.257 RESID 274 (A): C 177.200 177.200 177.186 0.014 RESID 274 (A): CA 52.030 52.030 53.007 -0.977 RESID 274 (A): CB 19.580 19.580 19.413 0.167 RESID 274 (A): H 7.495 7.495 7.826 -0.331 RESID 275 (N): N 119.900 119.900 118.239 1.661 RESID 275 (N): C 175.700 175.700 174.008 1.692 RESID 275 (N): CA 51.030 51.030 51.367 -0.338 RESID 275 (N): CB 38.590 38.590 37.030 1.560 RESID 275 (N): H 7.200 7.200 7.956 -0.756 RESID 276 (P): C 178.900 178.900 178.498 0.402 RESID 276 (P): CA 65.190 65.190 65.457 -0.266 RESID 276 (P): CB 32.440 32.440 32.043 0.397 RESID 277 (L): N 116.700 116.700 117.432 -0.732 RESID 277 (L): C 178.000 178.000 178.886 -0.886 RESID 277 (L): CA 56.630 56.630 57.551 -0.921 RESID 277 (L): CB 41.720 41.720 41.501 0.219 RESID 277 (L): H 7.777 7.777 7.929 -0.152 RESID 278 (L): N 115.100 115.100 116.581 -1.481 RESID 278 (L): C 176.600 176.600 177.875 -1.275 RESID 278 (L): CA 53.200 53.200 54.941 -1.741 RESID 278 (L): CB 40.960 40.960 41.318 -0.358 RESID 278 (L): H 7.485 7.485 7.681 -0.196 RESID 279 (A): N 118.600 118.600 123.084 -4.484 RESID 279 (A): C 177.700 177.700 177.803 -0.103 RESID 279 (A): CA 55.090 55.090 54.366 0.724 RESID 279 (A): CB 19.710 19.710 18.601 1.109 RESID 279 (A): H 6.665 6.665 7.901 -1.236 RESID 280 (H): N 111.600 111.600 115.291 -3.691 RESID 280 (H): C 175.500 175.500 175.210 0.290 RESID 280 (H): CA 55.360 55.360 56.246 -0.886 RESID 280 (H): CB 29.540 29.540 28.651 0.889 RESID 280 (H): H 8.337 8.337 8.188 0.149 RESID 281 (L): N 124.100 124.100 122.549 1.551 RESID 281 (L): C 176.300 176.300 175.880 0.420 RESID 281 (L): CA 53.330 53.330 52.967 0.363 RESID 281 (L): CB 40.490 40.490 41.924 -1.434 RESID 281 (L): H 7.289 7.289 7.447 -0.158 RESID 282 (P): C 178.200 178.200 178.392 -0.192 RESID 282 (P): CA 66.050 66.050 65.712 0.338 RESID 282 (P): CB 32.150 32.150 31.709 0.441 RESID 283 (A): N 116.000 116.000 119.142 -3.142 RESID 283 (A): C 179.000 179.000 179.848 -0.848 RESID 283 (A): CA 55.630 55.630 55.195 0.435 RESID 283 (A): CB 19.490 19.490 18.184 1.306 RESID 283 (A): H 7.969 7.969 8.427 -0.458 RESID 284 (V): N 115.200 115.200 118.482 -3.282 RESID 284 (V): C 180.000 180.000 178.928 1.072 RESID 284 (V): CA 65.640 65.640 65.883 -0.243 RESID 284 (V): CB 32.560 32.560 30.819 1.741 RESID 284 (V): H 6.557 6.557 7.678 -1.121 RESID 285 (Q): N 121.200 121.200 120.437 0.763 RESID 285 (Q): C 178.000 178.000 177.657 0.343 RESID 285 (Q): CA 59.500 59.500 58.798 0.702 RESID 285 (Q): CB 29.080 29.080 28.608 0.472 RESID 285 (Q): H 8.581 8.581 7.818 0.763 RESID 286 (N): N 112.600 112.600 113.995 -1.395 RESID 286 (N): C 174.500 174.500 173.860 0.640 RESID 286 (N): CA 53.160 53.160 52.727 0.433 RESID 286 (N): CB 38.390 38.390 38.738 -0.348 RESID 286 (N): H 8.117 8.117 8.043 0.074 RESID 287 (K): N 118.500 118.500 115.907 2.593 RESID 287 (K): C 176.100 176.100 176.228 -0.128 RESID 287 (K): CA 57.540 57.540 57.306 0.234 RESID 287 (K): CB 28.570 28.570 29.548 -0.978 RESID 287 (K): H 7.724 7.724 7.698 0.026 RESID 288 (Q): N 119.700 119.700 117.151 2.549 RESID 288 (Q): C 173.700 173.700 174.078 -0.378 RESID 288 (Q): CA 52.970 52.970 54.832 -1.862 RESID 288 (Q): CB 28.640 28.640 28.953 -0.313 RESID 288 (Q): H 8.895 8.895 8.422 0.473 RESID 289 (V): N 119.200 119.200 118.588 0.612 RESID 289 (V): C 175.100 175.100 175.020 0.080 RESID 289 (V): CA 61.600 61.600 61.062 0.538 RESID 289 (V): CB 32.610 32.610 33.816 -1.206 RESID 289 (V): H 6.246 6.246 6.903 -0.657 RESID 290 (Y): N 125.700 125.700 124.039 1.661 RESID 290 (Y): C 174.100 174.100 174.460 -0.360 RESID 290 (Y): CA 56.830 56.830 56.389 0.441 RESID 290 (Y): CB 40.950 40.950 42.791 -1.841 RESID 290 (Y): H 8.682 8.682 8.984 -0.302 RESID 291 (A): N 126.900 126.900 122.036 4.864 RESID 291 (A): C 178.300 178.300 176.723 1.577 RESID 291 (A): CA 51.560 51.560 50.390 1.170 RESID 291 (A): CB 19.670 19.670 21.260 -1.590 RESID 291 (A): H 9.057 9.057 8.651 0.406 RESID 292 (L): N 120.800 120.800 119.799 1.001 RESID 292 (L): C 175.500 175.500 176.228 -0.728 RESID 292 (L): CA 54.880 54.880 54.241 0.639 RESID 292 (L): CB 42.490 42.490 42.287 0.203 RESID 292 (L): H 8.342 8.342 8.926 -0.584 RESID 293 (G): N 107.500 107.500 103.835 3.665 RESID 293 (G): C 177.600 177.600 174.097 3.503 RESID 293 (G): CA 45.110 45.110 44.428 0.682 RESID 293 (G): H 7.973 7.973 7.385 0.588 RESID 294 (T): N 117.800 117.800 116.753 1.047 RESID 294 (T): C 176.400 176.400 176.015 0.385 RESID 294 (T): CA 65.260 65.260 65.234 0.026 RESID 294 (T): CB 68.310 68.310 69.162 -0.852 RESID 294 (T): H 8.808 8.808 8.574 0.234 RESID 295 (E): N 122.100 122.100 119.906 2.194 RESID 295 (E): C 177.700 177.700 176.581 1.119 RESID 295 (E): CA 58.540 58.540 58.308 0.232 RESID 295 (E): CB 29.010 29.010 28.773 0.237 RESID 295 (E): H 10.380 10.380 8.842 1.538 RESID 296 (T): N 103.000 103.000 108.594 -5.594 RESID 296 (T): C 173.600 173.600 174.302 -0.702 RESID 296 (T): CA 62.320 62.320 61.204 1.116 RESID 296 (T): CB 69.170 69.170 67.762 1.408 RESID 296 (T): H 7.062 7.062 7.909 -0.847 RESID 297 (F): N 121.500 121.500 123.051 -1.551 RESID 297 (F): C 174.500 174.500 175.859 -1.359 RESID 297 (F): CA 61.700 61.700 61.041 0.659 RESID 297 (F): CB 39.640 39.640 39.784 -0.144 RESID 297 (F): H 8.108 8.108 7.793 0.315 RESID 298 (R): N 116.800 116.800 119.783 -2.983 RESID 298 (R): C 176.000 176.000 175.098 0.902 RESID 298 (R): CA 54.160 54.160 55.761 -1.601 RESID 298 (R): CB 32.460 32.460 31.097 1.363 RESID 298 (R): H 7.552 7.552 8.261 -0.709 RESID 299 (L): N 125.500 125.500 126.337 -0.837 RESID 299 (L): C 174.800 174.800 174.497 0.303 RESID 299 (L): CA 54.300 54.300 53.877 0.423 RESID 299 (L): CB 41.670 41.670 44.129 -2.459 RESID 299 (L): H 8.903 8.903 8.430 0.473 RESID 300 (D): N 124.600 124.600 123.811 0.789 RESID 300 (D): C 173.400 173.400 175.432 -2.032 RESID 300 (D): CA 51.880 51.880 53.194 -1.314 RESID 300 (D): CB 43.230 43.230 42.551 0.679 RESID 300 (D): H 7.735 7.735 8.803 -1.068 RESID 301 (Y): N 118.100 118.100 121.141 -3.041 RESID 301 (Y): C 175.300 175.300 176.238 -0.938 RESID 301 (Y): CA 61.650 61.650 63.280 -1.630 RESID 301 (Y): CB 38.740 38.740 38.681 0.059 RESID 301 (Y): H 7.943 7.943 8.945 -1.002 RESID 302 (Y): N 112.300 112.300 115.584 -3.284 RESID 302 (Y): C 180.800 180.800 177.713 3.087 RESID 302 (Y): CA 61.970 61.970 60.938 1.032 RESID 302 (Y): CB 37.990 37.990 38.096 -0.106 RESID 302 (Y): H 7.309 7.309 8.117 -0.808 RESID 303 (S): N 119.100 119.100 115.716 3.384 RESID 303 (S): C 176.300 176.300 176.584 -0.284 RESID 303 (S): CA 60.690 60.690 61.228 -0.538 RESID 303 (S): CB 63.180 63.180 62.127 1.053 RESID 303 (S): H 9.411 9.411 9.448 -0.037 RESID 304 (A): N 126.900 126.900 125.103 1.797 RESID 304 (A): C 180.400 180.400 179.409 0.991 RESID 304 (A): CA 56.000 56.000 55.315 0.685 RESID 304 (A): CB 18.040 18.040 17.795 0.245 RESID 304 (A): H 8.860 8.860 7.887 0.973 RESID 305 (M): N 116.600 116.600 117.979 -1.379 RESID 305 (M): C 179.300 179.300 178.820 0.480 RESID 305 (M): CA 57.880 57.880 59.532 -1.652 RESID 305 (M): CB 31.350 31.350 32.130 -0.780 RESID 305 (M): H 7.346 7.346 7.599 -0.253 RESID 306 (Q): N 119.300 119.300 118.790 0.510 RESID 306 (Q): C 179.000 179.000 178.838 0.162 RESID 306 (Q): CA 59.410 59.410 58.879 0.531 RESID 306 (Q): CB 28.450 28.450 28.822 -0.372 RESID 306 (Q): H 7.633 7.633 7.774 -0.141 RESID 308 (L): C 178.700 178.700 178.488 0.212 RESID 308 (L): CA 58.690 58.690 58.428 0.262 RESID 308 (L): CB 41.790 41.790 41.386 0.404 RESID 309 (D): N 119.100 119.100 119.066 0.034 RESID 309 (D): C 179.600 179.600 178.884 0.716 RESID 309 (D): CA 57.830 57.830 57.547 0.284 RESID 309 (D): CB 40.820 40.820 40.335 0.485 RESID 309 (D): H 7.984 7.984 8.026 -0.042 RESID 310 (R): N 121.700 121.700 120.614 1.086 RESID 310 (R): C 178.900 178.900 178.730 0.170 RESID 310 (R): CA 58.590 58.590 59.194 -0.604 RESID 310 (R): CB 29.820 29.820 30.153 -0.333 RESID 310 (R): H 8.463 8.463 7.606 0.858 RESID 311 (L): N 119.200 119.200 119.915 -0.715 RESID 311 (L): C 178.800 178.800 178.722 0.078 RESID 311 (L): CA 58.380 58.380 58.114 0.266 RESID 311 (L): CB 42.340 42.340 41.842 0.498 RESID 311 (L): H 8.489 8.489 8.332 0.157 RESID 312 (K): N 116.500 116.500 118.730 -2.230 RESID 312 (K): C 178.000 178.000 178.401 -0.401 RESID 312 (K): CA 59.250 59.250 59.174 0.076 RESID 312 (K): CB 32.440 32.440 32.493 -0.053 RESID 312 (K): H 7.955 7.955 8.191 -0.236 RESID 313 (A): N 119.500 119.500 120.750 -1.250 RESID 313 (A): C 180.000 180.000 178.673 1.327 RESID 313 (A): CA 53.920 53.920 53.287 0.633 RESID 313 (A): CB 18.800 18.800 19.247 -0.448 RESID 313 (A): H 7.427 7.427 7.742 -0.315 RESID 314 (L): N 119.500 119.500 119.173 0.327 RESID 314 (L): C 177.400 177.400 176.455 0.945 RESID 314 (L): CA 56.770 56.770 57.237 -0.467 RESID 314 (L): CB 43.730 43.730 42.355 1.375 RESID 314 (L): H 7.431 7.431 8.125 -0.694 N HA C CA CB H RESID 26 (W): -3.467 ----- -0.874 0.355 3.252 0.219 RESID 27 (P): ----- ----- 0.004 -0.300 4.948 ----- RESID 28 (R): -3.843 ----- -1.396 0.733 0.759 0.069 RESID 29 (Q): -0.846 ----- 0.590 -1.260 1.450 -0.078 RESID 30 (I): -1.799 ----- 0.577 -0.917 -0.493 1.086 RESID 31 (T): 3.241 ----- 0.737 -1.322 1.052 0.590 RESID 32 (D): 5.729 ----- 1.427 0.795 -0.488 1.413 RESID 33 (S): -4.430 ----- -0.565 0.404 -0.380 -0.219 RESID 34 (R): -2.387 ----- -0.629 -3.660 0.177 0.476 RESID 35 (G): 5.166 ----- -2.252 -0.498 ----- -0.756 RESID 36 (T): 0.153 ----- 0.785 0.021 -0.086 0.584 RESID 37 (H): 0.481 ----- 0.722 -1.267 -2.020 0.361 RESID 38 (T): 4.445 ----- 1.397 2.127 -1.245 1.612 RESID 39 (L): 7.228 ----- 0.100 0.517 -0.912 0.460 RESID 40 (E): -1.615 ----- -0.320 0.291 0.487 0.137 RESID 41 (S): -1.835 ----- -1.486 -0.887 0.609 -0.156 RESID 42 (Q): 3.316 ----- -0.148 -2.029 0.559 -1.263 RESID 43 (P): ----- ----- -0.368 0.790 0.094 ----- RESID 44 (Q): 2.596 ----- -0.619 -1.521 2.865 2.632 RESID 45 (R): 8.281 ----- 0.502 0.097 -0.043 2.466 RESID 47 (V): ----- ----- 0.226 -0.253 -0.156 ----- RESID 48 (S): -2.199 ----- 1.976 -1.989 -1.706 -0.641 RESID 49 (T): 5.199 ----- -2.822 0.773 -0.212 -0.105 RESID 50 (S): -0.478 ----- -0.569 -2.038 -0.029 -0.107 RESID 51 (V): 4.906 ----- -2.804 -0.328 -0.106 0.176 RESID 52 (T): 0.575 ----- 3.210 0.911 0.259 -0.140 RESID 53 (L): 1.144 ----- 0.447 -0.689 0.831 -0.480 RESID 54 (T): 1.764 ----- -1.734 -0.660 ----- -0.080 RESID 55 (G): -3.704 ----- -0.195 0.300 ----- -1.273 RESID 56 (S): -0.769 ----- -1.156 1.896 1.965 -1.243 RESID 58 (L): ----- ----- 1.774 -0.275 -0.126 ----- RESID 59 (A): -0.806 ----- -0.272 0.734 -0.321 -0.308 RESID 60 (I): ----- ----- -1.548 0.163 0.401 ----- RESID 61 (D): -2.468 ----- 0.232 0.051 -0.039 -0.003 RESID 62 (A): -3.179 ----- 2.683 -0.862 -1.635 0.095 RESID 63 (P): ----- ----- -2.117 0.638 -4.707 ----- RESID 64 (V): 3.900 ----- -0.926 -1.451 -0.763 0.430 RESID 65 (I): -4.397 ----- 1.543 -3.035 1.272 0.252 RESID 66 (A): 4.262 ----- -0.135 0.683 1.441 -0.429 RESID 67 (S): -5.080 ----- 2.260 -2.070 -2.423 0.234 RESID 68 (G): 5.663 ----- -1.607 2.074 ----- -1.115 RESID 69 (A): -3.808 ----- 2.737 -1.242 2.072 -0.760 RESID 70 (T): 5.926 ----- -2.317 -2.701 1.042 0.982 RESID 71 (T): -5.088 ----- -0.428 0.129 1.545 -0.788 RESID 72 (P): ----- ----- 0.966 -0.176 0.715 ----- RESID 73 (N): -4.610 ----- -1.618 0.741 -1.462 -0.709 RESID 74 (N): ----- ----- -1.141 5.021 0.350 ----- RESID 75 (R): -6.310 ----- -0.160 1.081 1.043 -0.292 RESID 76 (V): -10.306 ----- 0.068 -2.918 2.035 -0.827 RESID 77 (A): 5.923 ----- -1.084 -1.046 5.114 0.724 RESID 78 (D): 1.797 ----- 2.212 -0.940 0.361 0.432 RESID 79 (D): 0.864 ----- 0.281 1.067 0.869 -0.164 RESID 80 (Q): -4.349 ----- -1.179 -1.510 2.392 -0.175 RESID 81 (G): -0.018 ----- 0.861 0.953 ----- -0.648 RESID 82 (F): 0.632 ----- -0.434 -4.258 -2.650 0.299 RESID 83 (L): ----- ----- 0.953 0.330 -3.506 ----- RESID 84 (R): 0.324 ----- 0.767 3.484 1.656 -0.688 RESID 85 (Q): -2.589 ----- -2.668 0.209 -3.180 1.862 RESID 86 (W): -6.513 ----- -1.783 -5.071 -2.074 -1.951 RESID 87 (S): 3.741 ----- 1.465 0.584 ----- -1.262 RESID 88 (K): -3.943 ----- 0.180 0.476 -0.091 0.980 RESID 89 (V): 6.347 ----- 0.811 0.078 0.499 -0.710 RESID 90 (A): -0.389 ----- 1.102 1.387 1.431 0.686 RESID 91 (K): -0.416 ----- 3.032 1.006 -0.002 -0.239 RESID 92 (E): 5.076 ----- 1.500 2.281 -0.658 0.484 RESID 93 (R): -3.127 ----- 0.322 0.789 -1.533 -0.271 RESID 94 (K): 1.800 ----- 0.665 -0.672 -1.433 -0.723 RESID 95 (L): -1.119 ----- 0.268 0.747 1.003 0.055 RESID 96 (Q): 0.359 ----- -0.973 0.624 0.322 -0.887 RESID 97 (R): 6.429 ----- 0.581 -1.009 1.621 0.496 RESID 98 (L): 3.458 ----- -0.420 2.404 3.354 -0.453 RESID 99 (Y): -2.019 ----- -1.394 -0.829 -0.985 -1.355 RESID 100 (I): -6.190 ----- -0.343 -1.817 3.578 0.105 RESID 101 (G): 0.886 ----- -0.695 2.209 ----- -0.243 RESID 102 (E): 10.930 ----- -0.770 0.477 2.036 0.291 RESID 103 (P): ----- ----- -0.831 -1.372 -0.097 ----- RESID 104 (S): -5.183 ----- 0.177 -3.164 -0.075 -2.563 RESID 105 (A): 0.250 ----- 0.350 0.760 -0.904 0.331 RESID 106 (E): 0.339 ----- 0.437 1.236 -0.475 0.148 RESID 107 (A): -0.803 ----- 0.321 -0.439 0.839 -0.186 RESID 108 (V): -1.646 ----- -0.932 1.149 0.327 -0.528 RESID 109 (A): -1.973 ----- 1.805 0.531 -0.203 0.057 RESID 110 (A): -0.746 ----- 0.268 -0.243 -0.031 -0.323 RESID 111 (Q): -1.085 ----- -1.049 0.935 -0.151 -0.285 RESID 112 (M): -6.204 ----- 0.068 0.354 -1.444 -0.075 RESID 113 (P): ----- ----- 0.467 0.235 0.380 ----- RESID 114 (D): -2.220 ----- -0.071 -2.080 -1.865 0.619 RESID 115 (L): ----- ----- 0.617 -1.402 ----- ----- RESID 116 (I): -2.828 ----- ----- -0.100 ----- 1.334 RESID 118 (I): ----- ----- -0.972 0.429 1.009 ----- RESID 119 (S): 0.422 ----- 0.604 -0.594 0.672 1.039 RESID 120 (A): 1.579 ----- -0.478 -0.047 1.521 -0.509 RESID 121 (T): -4.160 ----- -0.091 -2.460 1.598 -0.215 RESID 122 (G): -6.492 ----- 3.075 -0.770 ----- 0.161 RESID 123 (G): ----- ----- -0.211 1.044 ----- ----- RESID 124 (D): -2.413 ----- 0.975 -0.581 0.055 0.826 RESID 125 (S): -4.112 ----- 1.657 0.068 0.136 -1.103 RESID 126 (A): 4.772 ----- -1.953 -2.350 -2.237 0.254 RESID 127 (L): -0.023 ----- 0.539 1.474 1.233 -0.800 RESID 128 (A): 3.395 ----- 0.731 0.810 -0.495 1.288 RESID 129 (L): 0.563 ----- -0.897 -1.266 -0.371 0.360 RESID 130 (Y): -0.899 ----- 0.295 1.533 1.051 -1.093 RESID 131 (D): 1.158 ----- -0.096 0.622 0.303 0.920 RESID 132 (Q): -0.988 ----- 0.278 0.196 0.582 -0.146 RESID 133 (L): -0.322 ----- -0.715 0.322 -0.807 -0.451 RESID 134 (S): -3.223 ----- -0.506 0.324 0.796 -0.331 RESID 135 (T): -5.225 ----- -1.181 -2.041 0.656 -0.650 RESID 136 (I): 3.955 ----- 0.244 -0.059 0.345 0.416 RESID 137 (A): 1.968 ----- -1.614 -0.149 -0.133 -0.476 RESID 138 (P): ----- ----- -1.458 1.235 -0.247 ----- RESID 139 (T): 2.080 ----- -0.039 -1.319 1.986 0.003 RESID 140 (L): ----- ----- 0.593 -0.793 0.723 ----- RESID 141 (I): -2.428 ----- 1.115 -1.015 1.127 1.433 RESID 142 (I): 1.920 ----- 0.203 -1.934 -2.309 0.186 RESID 143 (N): 4.991 ----- 0.445 -1.913 0.107 0.715 RESID 144 (Y): -5.985 ----- 1.735 -3.659 -0.183 0.213 RESID 145 (D): 0.748 ----- 1.767 -0.208 3.343 0.440 RESID 146 (D): 4.118 ----- -0.058 -0.379 -1.688 -1.052 RESID 147 (K): -5.766 ----- -0.277 -1.550 -1.740 -0.551 RESID 148 (S): -0.517 ----- -0.378 -0.062 0.705 0.225 RESID 149 (W): 1.767 ----- 2.061 1.322 -0.730 -0.124 RESID 150 (Q): 3.189 ----- 0.288 3.372 -1.195 1.614 RESID 151 (S): 1.319 ----- 0.493 0.598 0.614 0.028 RESID 152 (L): 2.291 ----- 0.572 0.387 0.296 0.067 RESID 153 (L): 0.570 ----- 1.033 1.426 -0.093 0.927 RESID 154 (T): 3.481 ----- 0.307 1.302 0.536 0.138 RESID 155 (Q): 3.476 ----- 1.169 1.364 0.257 0.299 RESID 156 (L): ----- ----- 1.632 0.623 -0.129 ----- RESID 157 (G): 5.787 ----- -0.554 1.798 ----- 1.190 RESID 158 (E): 4.795 ----- 0.622 1.230 0.303 0.018 RESID 160 (T): ----- ----- 2.298 -1.169 2.629 ----- RESID 161 (G): -0.299 ----- 0.434 1.247 ----- -0.880 RESID 162 (H): 4.873 ----- -2.177 -0.504 -2.975 0.669 RESID 163 (E): 1.767 ----- 2.332 1.414 -0.431 1.535 RESID 164 (K): 1.099 ----- -0.014 -0.361 0.186 0.377 RESID 165 (Q): 1.332 ----- 0.399 2.120 -0.156 -0.053 RESID 166 (A): -1.335 ----- -1.426 1.321 0.226 -0.184 RESID 167 (A): -3.046 ----- 1.891 -0.162 -0.306 -1.124 RESID 168 (E): 1.537 ----- 0.467 -0.003 0.451 0.323 RESID 170 (I): ----- ----- 0.005 1.589 1.353 ----- RESID 171 (A): -2.510 ----- 1.366 -0.350 0.149 -0.778 RESID 172 (Q): 2.557 ----- 0.619 0.693 -0.256 0.637 RESID 173 (F): -0.066 ----- -0.995 1.620 0.361 -0.295 RESID 174 (D): 0.877 ----- 1.419 0.548 -0.094 -0.269 RESID 175 (K): 1.077 ----- 1.168 -0.007 0.314 -0.070 RESID 176 (Q): 2.080 ----- 0.771 -0.481 -0.532 0.343 RESID 177 (L): 6.028 ----- -0.271 2.661 -0.161 1.205 RESID 178 (A): -1.073 ----- 1.375 0.196 0.092 -0.526 RESID 179 (A): -0.807 ----- 0.715 0.336 -0.405 0.047 RESID 180 (A): -0.007 ----- 0.098 0.745 -0.272 0.178 RESID 181 (K): 0.141 ----- -0.102 0.631 0.698 0.023 RESID 182 (E): -2.153 ----- -0.130 0.738 1.086 -0.574 RESID 183 (Q): -0.684 ----- 1.026 0.242 0.405 -0.190 RESID 184 (I): 1.932 ----- 0.961 3.260 0.332 0.288 RESID 185 (K): 4.804 ----- -0.018 -0.571 -2.923 0.832 RESID 186 (L): -1.051 ----- -0.202 2.375 0.389 -0.429 RESID 188 (P): ----- ----- -1.451 1.465 0.984 ----- RESID 189 (Q): 0.720 ----- 1.696 -2.388 0.892 -0.167 RESID 190 (P): ----- ----- -0.081 0.465 2.817 ----- RESID 191 (V): -9.075 ----- 0.327 0.232 0.326 0.657 RESID 192 (T): 7.409 ----- 0.215 3.506 0.298 0.144 RESID 193 (A): 9.923 ----- -0.005 -0.552 -0.306 1.612 RESID 194 (I): -2.073 ----- 2.898 -0.468 1.810 0.734 RESID 195 (V): -4.285 ----- 2.130 1.795 0.139 -0.153 RESID 196 (Y): 2.725 ----- 0.545 -0.418 1.052 1.004 RESID 197 (T): 1.473 ----- 0.928 0.107 -3.031 0.430 RESID 198 (A): -0.307 ----- 1.196 1.164 0.084 -0.325 RESID 199 (A): -4.793 ----- -1.019 -0.502 0.403 0.299 RESID 200 (A): -3.833 ----- -0.651 -0.790 1.319 -1.458 RESID 201 (H): 0.388 ----- -0.498 0.383 -0.433 -0.209 RESID 202 (S): -3.964 ----- 0.041 -1.076 -0.135 -0.693 RESID 203 (A): -2.949 ----- -0.382 -0.547 2.298 0.314 RESID 204 (N): 0.075 ----- -0.159 -0.559 -2.095 0.103 RESID 205 (L): 5.486 ----- 0.135 0.850 1.528 1.653 RESID 206 (W): 1.712 ----- 1.042 -0.837 -1.205 0.632 RESID 207 (T): 1.841 ----- 2.917 0.981 -1.966 -0.105 RESID 208 (P): ----- ----- -0.853 0.714 -0.213 ----- RESID 209 (E): -2.714 ----- 0.294 0.085 -0.388 -0.353 RESID 210 (S): 0.707 ----- -1.628 -1.097 2.841 0.224 RESID 211 (A): -2.114 ----- 0.747 0.099 -0.234 -0.151 RESID 212 (Q): 0.579 ----- -0.913 2.447 -0.333 0.017 RESID 213 (G): -0.167 ----- -0.913 0.690 ----- -0.243 RESID 214 (Q): -0.771 ----- 0.606 0.288 0.424 0.425 RESID 215 (M): -1.414 ----- -0.374 0.117 -0.791 -0.286 RESID 216 (L): -3.006 ----- 0.865 0.504 -1.445 -0.463 RESID 217 (E): 1.365 ----- 2.965 1.284 -0.270 0.210 RESID 218 (Q): 5.228 ----- -0.637 1.014 -0.274 0.541 RESID 219 (L): 1.128 ----- -2.283 -1.262 1.438 -0.316 RESID 220 (G): 1.936 ----- 1.771 0.066 ----- -0.379 RESID 221 (F): 0.164 ----- 0.857 1.938 -3.845 0.225 RESID 222 (T): 1.559 ----- 0.512 0.588 1.627 0.394 RESID 223 (L): 1.176 ----- 1.655 1.356 -1.137 1.069 RESID 224 (A): -1.272 ----- 1.544 1.474 -2.183 0.981 RESID 225 (K): 2.187 ----- 0.610 0.018 0.173 0.237 RESID 226 (L): -1.823 ----- -0.108 -0.504 0.472 0.113 RESID 227 (P): ----- ----- -0.266 -0.037 0.178 ----- RESID 228 (A): 0.086 ----- 1.034 0.729 0.007 -0.097 RESID 229 (G): 0.211 ----- -0.996 0.612 ----- 0.471 RESID 230 (L): -1.239 ----- -1.446 0.088 0.945 -0.428 RESID 231 (N): -0.440 ----- -0.611 -2.487 0.946 0.172 RESID 232 (A): 4.915 ----- 0.034 1.412 1.300 0.169 RESID 233 (S): -0.033 ----- -0.481 -1.709 0.946 -0.264 RESID 234 (Q): 1.456 ----- 0.718 0.172 -1.323 0.442 RESID 235 (S): -0.980 ----- 0.240 0.021 1.608 -0.212 RESID 236 (Q): -4.847 ----- 1.260 1.119 1.642 -0.497 RESID 237 (G): 1.384 ----- 1.139 0.251 ----- 0.802 RESID 238 (K): -0.976 ----- 1.111 0.482 0.549 -0.391 RESID 239 (R): -4.081 ----- ----- 0.183 0.652 -0.341 RESID 240 (H): ----- ----- -1.724 -2.871 -0.309 ----- RESID 241 (D): 0.573 ----- -1.572 -0.499 -0.673 0.658 RESID 242 (I): 0.209 ----- 1.208 -0.310 2.749 -0.324 RESID 243 (I): -0.980 ----- 1.033 -0.302 2.915 0.214 RESID 244 (Q): 0.866 ----- 1.048 1.534 0.002 0.170 RESID 245 (L): 1.993 ----- -0.406 0.674 0.245 0.290 RESID 246 (G): 4.650 ----- -0.133 -0.443 ----- -0.020 RESID 247 (G): -0.160 ----- 1.820 3.143 ----- 0.928 RESID 248 (E): 2.562 ----- 0.777 1.058 0.097 0.456 RESID 249 (N): 0.254 ----- -0.499 -0.171 0.653 0.343 RESID 250 (L): 1.176 ----- -0.997 1.807 0.753 -0.689 RESID 251 (A): -5.038 ----- 1.334 0.684 -0.430 -0.172 RESID 252 (A): -1.210 ----- 0.778 1.601 0.004 -1.034 RESID 253 (G): -7.304 ----- -2.097 0.360 ----- 0.027 RESID 254 (L): 1.963 ----- -2.288 -1.852 -3.021 -0.585 RESID 255 (N): -7.713 ----- 0.346 -0.560 -1.222 -1.143 RESID 256 (G): 2.471 ----- -2.371 0.448 ----- -0.699 RESID 257 (E): 1.824 ----- 1.349 1.369 -0.738 -0.216 RESID 258 (S): -5.924 ----- -0.044 -0.992 2.499 -0.771 RESID 259 (L): -2.793 ----- -2.527 -0.918 3.738 0.958 RESID 260 (F): 0.658 ----- -1.830 1.515 1.101 1.146 RESID 261 (L): 3.700 ----- 0.496 0.825 -4.035 0.862 RESID 262 (F): 1.520 ----- -0.336 1.828 1.436 0.228 RESID 263 (A): -2.229 ----- -1.729 0.982 2.888 0.607 RESID 264 (G): -7.039 ----- -1.631 0.480 ----- -1.121 RESID 265 (D): -0.391 ----- 0.028 -1.114 0.587 0.935 RESID 266 (Q): -1.214 ----- 0.147 -0.443 -0.157 -0.329 RESID 267 (K): -1.084 ----- 2.311 -0.165 -0.348 -0.042 RESID 268 (D): 1.945 ----- -0.941 1.000 1.298 -0.476 RESID 269 (A): 0.227 ----- 0.584 0.715 -0.705 -0.253 RESID 270 (D): 0.191 ----- 2.795 1.274 -0.383 0.774 RESID 271 (A): 3.008 ----- 1.480 1.486 -1.017 0.554 RESID 272 (I): -120.474 ----- 1.341 -0.770 -2.418 -1.060 RESID 273 (Y): -0.688 ----- 0.217 2.812 1.935 0.214 RESID 274 (A): -3.257 ----- 0.014 -0.977 0.167 -0.331 RESID 275 (N): 1.661 ----- 1.692 -0.338 1.560 -0.756 RESID 276 (P): ----- ----- 0.402 -0.266 0.397 ----- RESID 277 (L): -0.732 ----- -0.886 -0.921 0.219 -0.152 RESID 278 (L): -1.481 ----- -1.275 -1.741 -0.358 -0.196 RESID 279 (A): -4.484 ----- -0.103 0.724 1.109 -1.236 RESID 280 (H): -3.691 ----- 0.290 -0.886 0.889 0.149 RESID 281 (L): 1.551 ----- 0.420 0.363 -1.434 -0.158 RESID 282 (P): ----- ----- -0.192 0.338 0.441 ----- RESID 283 (A): -3.142 ----- -0.848 0.435 1.306 -0.458 RESID 284 (V): -3.282 ----- 1.072 -0.243 1.741 -1.121 RESID 285 (Q): 0.763 ----- 0.343 0.702 0.472 0.763 RESID 286 (N): -1.395 ----- 0.640 0.433 -0.348 0.074 RESID 287 (K): 2.593 ----- -0.128 0.234 -0.978 0.026 RESID 288 (Q): 2.549 ----- -0.378 -1.862 -0.313 0.473 RESID 289 (V): 0.612 ----- 0.080 0.538 -1.206 -0.657 RESID 290 (Y): 1.661 ----- -0.360 0.441 -1.841 -0.302 RESID 291 (A): 4.864 ----- 1.577 1.170 -1.590 0.406 RESID 292 (L): 1.001 ----- -0.728 0.639 0.203 -0.584 RESID 293 (G): 3.665 ----- 3.503 0.682 ----- 0.588 RESID 294 (T): 1.047 ----- 0.385 0.026 -0.852 0.234 RESID 295 (E): 2.194 ----- 1.119 0.232 0.237 1.538 RESID 296 (T): -5.594 ----- -0.702 1.116 1.408 -0.847 RESID 297 (F): -1.551 ----- -1.359 0.659 -0.144 0.315 RESID 298 (R): -2.983 ----- 0.902 -1.601 1.363 -0.709 RESID 299 (L): -0.837 ----- 0.303 0.423 -2.459 0.473 RESID 300 (D): 0.789 ----- -2.032 -1.314 0.679 -1.068 RESID 301 (Y): -3.041 ----- -0.938 -1.630 0.059 -1.002 RESID 302 (Y): -3.284 ----- 3.087 1.032 -0.106 -0.808 RESID 303 (S): 3.384 ----- -0.284 -0.538 1.053 -0.037 RESID 304 (A): 1.797 ----- 0.991 0.685 0.245 0.973 RESID 305 (M): -1.379 ----- 0.480 -1.652 -0.780 -0.253 RESID 306 (Q): 0.510 ----- 0.162 0.531 -0.372 -0.141 RESID 308 (L): ----- ----- 0.212 0.262 0.404 ----- RESID 309 (D): 0.034 ----- 0.716 0.284 0.485 -0.042 RESID 310 (R): 1.086 ----- 0.170 -0.604 -0.333 0.858 RESID 311 (L): -0.715 ----- 0.078 0.266 0.498 0.157 RESID 312 (K): -2.230 ----- -0.401 0.076 -0.053 -0.236 RESID 313 (A): -1.250 ----- 1.327 0.633 -0.448 -0.315 RESID 314 (L): 0.327 ----- 0.945 -0.467 1.375 -0.694 DATA CS_STAT_INFO N RMS: 8.236 ppm Count: 256 Average Difference: 0.464 +/- 8.239 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.219 ppm Count: 281 Average Difference: -0.162 +/- 1.210 ppm DATA CS_STAT_INFO CA RMS: 1.339 ppm Count: 283 Average Difference: -0.104 +/- 1.337 ppm DATA CS_STAT_INFO CB RMS: 1.426 ppm Count: 260 Average Difference: -0.161 +/- 1.419 ppm DATA CS_STAT_INFO HN RMS: 0.716 ppm Count: 256 Average Difference: -0.023 +/- 0.717 ppm ############################################################################ For conformer 6: Atom Original Corrected SPARTA Difference RESID 25 (D): N 120.600 120.600 120.683 -0.083 RESID 25 (D): C 174.400 174.400 175.924 -1.524 RESID 25 (D): CA 55.230 55.230 53.115 2.115 RESID 25 (D): CB 41.340 41.340 41.902 -0.562 RESID 25 (D): H 8.275 8.275 8.228 0.047 RESID 26 (W): N 120.100 120.100 123.569 -3.469 RESID 26 (W): C 174.200 174.200 175.063 -0.863 RESID 26 (W): CA 55.330 55.330 54.904 0.426 RESID 26 (W): CB 31.090 31.090 27.799 3.291 RESID 26 (W): H 7.788 7.788 7.706 0.082 RESID 27 (P): C 175.900 175.900 175.907 -0.007 RESID 27 (P): CA 62.800 62.800 63.105 -0.305 RESID 27 (P): CB 37.260 37.260 32.320 4.940 RESID 28 (R): N 118.000 118.000 121.846 -3.846 RESID 28 (R): C 173.700 173.700 175.095 -1.395 RESID 28 (R): CA 55.160 55.160 54.422 0.738 RESID 28 (R): CB 33.430 33.430 32.678 0.752 RESID 28 (R): H 8.686 8.686 8.623 0.063 RESID 29 (Q): N 120.800 120.800 121.626 -0.826 RESID 29 (Q): C 175.500 175.500 174.909 0.591 RESID 29 (Q): CA 54.780 54.780 56.027 -1.247 RESID 29 (Q): CB 30.700 30.700 29.258 1.442 RESID 29 (Q): H 8.506 8.506 8.584 -0.078 RESID 30 (I): N 124.300 124.300 126.105 -1.805 RESID 30 (I): C 175.700 175.700 175.125 0.575 RESID 30 (I): CA 58.520 58.520 59.440 -0.920 RESID 30 (I): CB 40.680 40.680 41.163 -0.483 RESID 30 (I): H 9.002 9.002 7.916 1.086 RESID 31 (T): N 125.200 125.200 121.982 3.218 RESID 31 (T): C 174.400 174.400 173.673 0.727 RESID 31 (T): CA 62.150 62.150 63.462 -1.312 RESID 31 (T): CB 70.640 70.640 69.588 1.052 RESID 31 (T): H 8.989 8.989 8.401 0.588 RESID 32 (D): N 129.500 129.500 123.849 5.651 RESID 32 (D): C 177.400 177.400 175.965 1.435 RESID 32 (D): CA 52.630 52.630 51.819 0.811 RESID 32 (D): CB 42.950 42.950 43.445 -0.495 RESID 32 (D): H 9.389 9.389 7.982 1.407 RESID 33 (S): N 111.900 111.900 116.321 -4.421 RESID 33 (S): C 175.600 175.600 176.179 -0.579 RESID 33 (S): CA 60.920 60.920 60.490 0.430 RESID 33 (S): CB 63.430 63.430 63.816 -0.386 RESID 33 (S): H 8.075 8.075 8.290 -0.215 RESID 34 (R): N 120.600 120.600 122.992 -2.392 RESID 34 (R): C 176.100 176.100 176.731 -0.631 RESID 34 (R): CA 55.020 55.020 58.677 -3.657 RESID 34 (R): CB 30.850 30.850 30.679 0.171 RESID 34 (R): H 8.433 8.433 7.962 0.471 RESID 35 (G): N 108.900 108.900 103.723 5.177 RESID 35 (G): C 171.200 171.200 173.452 -2.252 RESID 35 (G): CA 45.060 45.060 45.562 -0.502 RESID 35 (G): H 7.837 7.837 8.595 -0.758 RESID 36 (T): N 116.300 116.300 116.173 0.127 RESID 36 (T): C 173.800 173.800 173.013 0.787 RESID 36 (T): CA 62.670 62.670 62.649 0.021 RESID 36 (T): CB 70.000 70.000 70.084 -0.084 RESID 36 (T): H 8.192 8.192 7.609 0.583 RESID 37 (H): N 125.800 125.800 125.321 0.479 RESID 37 (H): C 174.000 174.000 173.278 0.722 RESID 37 (H): CA 54.060 54.060 55.341 -1.281 RESID 37 (H): CB 31.020 31.020 33.030 -2.010 RESID 37 (H): H 8.986 8.986 8.626 0.360 RESID 38 (T): N 121.500 121.500 117.106 4.394 RESID 38 (T): C 174.200 174.200 172.813 1.387 RESID 38 (T): CA 63.190 63.190 61.069 2.121 RESID 38 (T): CB 70.080 70.080 71.323 -1.243 RESID 38 (T): H 9.101 9.101 7.502 1.599 RESID 39 (L): N 129.600 129.600 122.364 7.236 RESID 39 (L): C 176.900 176.900 176.801 0.099 RESID 39 (L): CA 53.990 53.990 53.475 0.515 RESID 39 (L): CB 43.160 43.160 44.090 -0.930 RESID 39 (L): H 9.145 9.145 8.696 0.449 RESID 40 (E): N 124.300 124.300 125.855 -1.555 RESID 40 (E): C 175.600 175.600 175.921 -0.321 RESID 40 (E): CA 59.420 59.420 59.139 0.281 RESID 40 (E): CB 30.710 30.710 30.224 0.486 RESID 40 (E): H 9.164 9.164 9.027 0.137 RESID 41 (S): N 108.300 108.300 110.154 -1.854 RESID 41 (S): C 171.700 171.700 173.195 -1.495 RESID 41 (S): CA 56.270 56.270 57.162 -0.892 RESID 41 (S): CB 65.420 65.420 64.813 0.607 RESID 41 (S): H 7.326 7.326 7.484 -0.158 RESID 42 (Q): N 123.900 123.900 120.588 3.312 RESID 42 (Q): C 174.600 174.600 174.750 -0.150 RESID 42 (Q): CA 53.730 53.730 55.763 -2.033 RESID 42 (Q): CB 28.470 28.470 27.916 0.554 RESID 42 (Q): H 7.339 7.339 8.609 -1.270 RESID 43 (P): C 176.300 176.300 176.626 -0.326 RESID 43 (P): CA 64.080 64.080 63.310 0.770 RESID 43 (P): CB 32.510 32.510 32.412 0.098 RESID 44 (Q): N 125.100 125.100 122.541 2.559 RESID 44 (Q): C 175.400 175.400 175.998 -0.598 RESID 44 (Q): CA 55.780 55.780 57.298 -1.518 RESID 44 (Q): CB 32.660 32.660 29.807 2.853 RESID 44 (Q): H 11.160 11.160 8.544 2.616 RESID 45 (R): N 125.700 125.700 117.394 8.306 RESID 45 (R): C 174.600 174.600 174.106 0.494 RESID 45 (R): CA 55.310 55.310 55.214 0.096 RESID 45 (R): CB 33.070 33.070 33.113 -0.043 RESID 45 (R): H 10.010 10.010 7.543 2.467 RESID 47 (V): C 174.700 174.700 174.360 0.340 RESID 47 (V): CA 60.970 60.970 61.243 -0.273 RESID 47 (V): CB 34.140 34.140 34.279 -0.139 RESID 48 (S): N 118.300 118.300 120.199 -1.899 RESID 48 (S): C 175.500 175.500 173.603 1.897 RESID 48 (S): CA 55.700 55.700 57.563 -1.863 RESID 48 (S): CB 64.750 64.750 65.853 -1.103 RESID 48 (S): H 7.852 7.852 8.491 -0.639 RESID 49 (T): N 116.800 116.800 112.574 4.226 RESID 49 (T): C 171.500 171.500 174.404 -2.904 RESID 49 (T): CA 62.400 62.400 61.433 0.967 RESID 49 (T): CB 69.320 69.320 69.695 -0.375 RESID 49 (T): H 8.283 8.283 8.640 -0.357 RESID 50 (S): N 116.200 116.200 117.102 -0.902 RESID 50 (S): C 174.600 174.600 175.198 -0.598 RESID 50 (S): CA 54.640 54.640 57.158 -2.518 RESID 50 (S): CB 64.000 64.000 64.085 -0.085 RESID 50 (S): H 7.627 7.627 7.703 -0.076 RESID 51 (V): N 134.300 134.300 129.217 5.083 RESID 51 (V): C 175.100 175.100 177.875 -2.775 RESID 51 (V): CA 65.620 65.620 65.906 -0.286 RESID 51 (V): CB 31.790 31.790 31.983 -0.193 RESID 51 (V): H 9.218 9.218 9.059 0.159 RESID 52 (T): N 117.000 117.000 116.818 0.182 RESID 52 (T): C 179.700 179.700 176.487 3.213 RESID 52 (T): CA 67.390 67.390 66.582 0.808 RESID 52 (T): CB 69.130 69.130 68.872 0.258 RESID 52 (T): H 7.841 7.841 7.939 -0.098 RESID 53 (L): N 123.400 123.400 122.252 1.148 RESID 53 (L): C 178.700 178.700 178.257 0.443 RESID 53 (L): CA 57.460 57.460 58.157 -0.698 RESID 53 (L): CB 42.610 42.610 41.788 0.822 RESID 53 (L): H 8.092 8.092 8.589 -0.497 RESID 54 (T): N 117.500 117.500 115.729 1.771 RESID 54 (T): C 174.900 174.900 176.632 -1.732 RESID 54 (T): CA 67.070 67.070 67.745 -0.675 RESID 54 (T): H 8.039 8.039 8.134 -0.095 RESID 55 (G): N 105.500 105.500 109.196 -3.696 RESID 55 (G): C 175.600 175.600 175.783 -0.183 RESID 55 (G): CA 47.260 47.260 46.960 0.300 RESID 55 (G): H 6.591 6.591 7.872 -1.281 RESID 56 (S): N 117.000 117.000 117.781 -0.781 RESID 56 (S): C 175.600 175.600 176.762 -1.162 RESID 56 (S): CA 63.400 63.400 61.459 1.941 RESID 56 (S): CB 65.060 65.060 63.092 1.968 RESID 56 (S): H 6.709 6.709 7.953 -1.244 RESID 58 (L): C 181.200 181.200 179.430 1.770 RESID 58 (L): CA 57.480 57.480 57.749 -0.269 RESID 58 (L): CB 40.810 40.810 40.929 -0.119 RESID 59 (A): N 122.100 122.100 122.906 -0.806 RESID 59 (A): C 178.500 178.500 178.782 -0.282 RESID 59 (A): CA 55.540 55.540 54.810 0.730 RESID 59 (A): CB 18.440 18.440 18.745 -0.305 RESID 59 (A): H 7.797 7.797 8.130 -0.333 RESID 60 (I): C 172.700 172.700 174.245 -1.545 RESID 60 (I): CA 60.390 60.390 60.219 0.171 RESID 60 (I): CB 37.930 37.930 37.487 0.443 RESID 61 (D): N 116.200 116.200 118.700 -2.500 RESID 61 (D): C 174.800 174.800 174.562 0.238 RESID 61 (D): CA 55.850 55.850 55.811 0.039 RESID 61 (D): CB 38.930 38.930 38.978 -0.049 RESID 61 (D): H 7.736 7.736 7.751 -0.015 RESID 62 (A): N 118.900 118.900 122.169 -3.269 RESID 62 (A): C 176.800 176.800 174.097 2.703 RESID 62 (A): CA 50.040 50.040 50.866 -0.826 RESID 62 (A): CB 17.940 17.940 19.604 -1.664 RESID 62 (A): H 7.820 7.820 7.711 0.109 RESID 63 (P): C 173.600 173.600 175.705 -2.105 RESID 63 (P): CA 63.250 63.250 62.620 0.630 RESID 63 (P): CB 27.640 27.640 32.349 -4.709 RESID 64 (V): N 123.100 123.100 119.463 3.637 RESID 64 (V): C 174.800 174.800 175.711 -0.911 RESID 64 (V): CA 58.420 58.420 59.891 -1.471 RESID 64 (V): CB 33.300 33.300 34.047 -0.747 RESID 64 (V): H 8.299 8.299 7.862 0.437 RESID 65 (I): N 122.000 122.000 126.446 -4.446 RESID 65 (I): C 177.100 177.100 175.569 1.531 RESID 65 (I): CA 61.010 61.010 64.038 -3.028 RESID 65 (I): CB 39.480 39.480 38.208 1.272 RESID 65 (I): H 8.589 8.589 8.337 0.252 RESID 66 (A): N 120.700 120.700 116.451 4.249 RESID 66 (A): C 175.100 175.100 175.199 -0.099 RESID 66 (A): CA 51.300 51.300 50.652 0.648 RESID 66 (A): CB 22.980 22.980 21.463 1.517 RESID 66 (A): H 7.246 7.246 7.668 -0.422 RESID 67 (S): N 111.700 111.700 116.855 -5.155 RESID 67 (S): C 176.500 176.500 174.131 2.369 RESID 67 (S): CA 55.230 55.230 57.139 -1.909 RESID 67 (S): CB 65.300 65.300 67.665 -2.365 RESID 67 (S): H 8.561 8.561 8.342 0.219 RESID 68 (G): N 112.900 112.900 107.400 5.500 RESID 68 (G): C 171.000 171.000 172.630 -1.630 RESID 68 (G): CA 46.580 46.580 44.550 2.030 RESID 68 (G): H 7.604 7.604 8.646 -1.042 RESID 69 (A): N 122.300 122.300 126.001 -3.701 RESID 69 (A): C 177.900 177.900 175.173 2.727 RESID 69 (A): CA 51.280 51.280 52.430 -1.150 RESID 69 (A): CB 23.440 23.440 21.381 2.058 RESID 69 (A): H 7.402 7.402 8.223 -0.821 RESID 70 (T): N 119.600 119.600 113.891 5.709 RESID 70 (T): C 171.400 171.400 174.109 -2.709 RESID 70 (T): CA 58.150 58.150 61.272 -3.122 RESID 70 (T): CB 70.880 70.880 69.813 1.067 RESID 70 (T): H 9.171 9.171 8.075 1.096 RESID 71 (T): N 116.500 116.500 121.744 -5.244 RESID 71 (T): C 172.500 172.500 172.914 -0.414 RESID 71 (T): CA 61.680 61.680 61.631 0.049 RESID 71 (T): CB 70.490 70.490 68.943 1.547 RESID 71 (T): H 7.663 7.663 8.454 -0.791 RESID 72 (P): C 177.100 177.100 176.120 0.980 RESID 72 (P): CA 63.390 63.390 63.566 -0.176 RESID 72 (P): CB 32.940 32.940 32.217 0.723 RESID 73 (N): N 115.200 115.200 119.776 -4.576 RESID 73 (N): C 174.600 174.600 176.226 -1.626 RESID 73 (N): CA 54.570 54.570 53.825 0.745 RESID 73 (N): CB 37.020 37.020 38.478 -1.458 RESID 73 (N): H 7.990 7.990 8.689 -0.699 RESID 74 (N): C 175.800 175.800 177.003 -1.203 RESID 74 (N): CA 60.660 60.660 55.677 4.983 RESID 74 (N): CB 38.070 38.070 37.718 0.352 RESID 75 (R): N 114.600 114.600 120.941 -6.341 RESID 75 (R): C 177.400 177.400 177.558 -0.158 RESID 75 (R): CA 59.940 59.940 58.869 1.071 RESID 75 (R): CB 31.110 31.110 30.040 1.071 RESID 75 (R): H 8.049 8.049 8.335 -0.286 RESID 76 (V): N 107.100 107.100 117.307 -10.207 RESID 76 (V): C 176.000 176.000 175.949 0.051 RESID 76 (V): CA 61.110 61.110 64.044 -2.934 RESID 76 (V): CB 33.590 33.590 31.557 2.033 RESID 76 (V): H 7.356 7.356 8.181 -0.825 RESID 77 (A): N 126.900 126.900 121.073 5.827 RESID 77 (A): C 176.500 176.500 177.551 -1.051 RESID 77 (A): CA 51.390 51.390 52.413 -1.023 RESID 77 (A): CB 24.260 24.260 19.130 5.130 RESID 77 (A): H 7.873 7.873 7.158 0.715 RESID 78 (D): N 118.700 118.700 116.892 1.808 RESID 78 (D): C 178.100 178.100 175.886 2.214 RESID 78 (D): CA 51.970 51.970 52.904 -0.934 RESID 78 (D): CB 41.360 41.360 40.998 0.362 RESID 78 (D): H 8.607 8.607 8.175 0.432 RESID 79 (D): N 116.600 116.600 115.750 0.850 RESID 79 (D): C 176.400 176.400 176.122 0.278 RESID 79 (D): CA 56.030 56.030 54.961 1.069 RESID 79 (D): CB 40.100 40.100 39.233 0.866 RESID 79 (D): H 8.258 8.258 8.423 -0.165 RESID 80 (Q): N 117.200 117.200 121.553 -4.353 RESID 80 (Q): C 175.700 175.700 176.883 -1.183 RESID 80 (Q): CA 54.970 54.970 56.489 -1.519 RESID 80 (Q): CB 30.840 30.840 28.449 2.391 RESID 80 (Q): H 8.160 8.160 8.335 -0.175 RESID 81 (G): N 105.300 105.300 105.301 -0.001 RESID 81 (G): C 174.200 174.200 173.355 0.845 RESID 81 (G): CA 45.740 45.740 44.791 0.949 RESID 81 (G): H 7.419 7.419 8.068 -0.649 RESID 82 (F): N 121.700 121.700 121.103 0.597 RESID 82 (F): C 175.300 175.300 175.746 -0.446 RESID 82 (F): CA 52.530 52.530 56.803 -4.273 RESID 82 (F): CB 37.430 37.430 40.056 -2.626 RESID 82 (F): H 8.154 8.154 7.865 0.289 RESID 83 (L): C 178.400 178.400 177.438 0.962 RESID 83 (L): CA 55.550 55.550 55.213 0.337 RESID 83 (L): CB 38.480 38.480 41.970 -3.490 RESID 84 (R): N 119.000 119.000 118.659 0.341 RESID 84 (R): C 178.300 178.300 177.523 0.777 RESID 84 (R): CA 60.690 60.690 57.180 3.510 RESID 84 (R): CB 31.530 31.530 29.880 1.651 RESID 84 (R): H 7.746 7.746 8.431 -0.685 RESID 85 (Q): N 116.400 116.400 118.999 -2.599 RESID 85 (Q): C 174.700 174.700 177.366 -2.666 RESID 85 (Q): CA 58.200 58.200 57.997 0.203 RESID 85 (Q): CB 26.140 26.140 29.324 -3.184 RESID 85 (Q): H 9.838 9.838 7.973 1.865 RESID 86 (W): N 115.600 115.600 122.086 -6.486 RESID 86 (W): C 175.900 175.900 177.667 -1.767 RESID 86 (W): CA 55.320 55.320 60.400 -5.080 RESID 86 (W): CB 27.470 27.470 29.547 -2.078 RESID 86 (W): H 6.600 6.600 8.549 -1.949 RESID 87 (S): N 118.500 118.500 114.787 3.713 RESID 87 (S): C 177.300 177.300 175.844 1.456 RESID 87 (S): CA 62.340 62.340 61.707 0.633 RESID 87 (S): H 7.067 7.067 8.332 -1.266 RESID 88 (K): N 118.300 118.300 122.240 -3.940 RESID 88 (K): C 179.000 179.000 178.823 0.177 RESID 88 (K): CA 59.970 59.970 59.493 0.477 RESID 88 (K): CB 32.380 32.380 32.469 -0.089 RESID 88 (K): H 8.615 8.615 7.638 0.977 RESID 89 (V): N 120.600 120.600 114.228 6.372 RESID 89 (V): C 178.100 178.100 177.282 0.818 RESID 89 (V): CA 65.530 65.530 65.441 0.089 RESID 89 (V): CB 32.180 32.180 31.682 0.498 RESID 89 (V): H 7.089 7.089 7.771 -0.682 RESID 90 (A): N 120.700 120.700 121.092 -0.392 RESID 90 (A): C 180.000 180.000 178.902 1.098 RESID 90 (A): CA 55.490 55.490 54.101 1.389 RESID 90 (A): CB 19.130 19.130 17.702 1.428 RESID 90 (A): H 7.979 7.979 7.293 0.686 RESID 91 (K): N 117.600 117.600 118.018 -0.418 RESID 91 (K): C 180.900 180.900 177.868 3.032 RESID 91 (K): CA 59.830 59.830 58.821 1.009 RESID 91 (K): CB 32.700 32.700 32.704 -0.004 RESID 91 (K): H 7.844 7.844 8.093 -0.249 RESID 92 (E): N 122.300 122.300 117.251 5.049 RESID 92 (E): C 178.600 178.600 177.088 1.512 RESID 92 (E): CA 59.590 59.590 57.306 2.284 RESID 92 (E): CB 29.740 29.740 30.396 -0.656 RESID 92 (E): H 8.178 8.178 7.690 0.488 RESID 93 (R): N 115.300 115.300 118.437 -3.137 RESID 93 (R): C 175.000 175.000 174.682 0.318 RESID 93 (R): CA 56.320 56.320 55.532 0.788 RESID 93 (R): CB 29.390 29.390 30.916 -1.526 RESID 93 (R): H 7.776 7.776 8.042 -0.266 RESID 94 (K): N 116.800 116.800 115.007 1.793 RESID 94 (K): C 176.400 176.400 175.734 0.666 RESID 94 (K): CA 56.950 56.950 57.623 -0.673 RESID 94 (K): CB 28.870 28.870 30.309 -1.439 RESID 94 (K): H 7.697 7.697 8.414 -0.717 RESID 95 (L): N 120.600 120.600 121.690 -1.090 RESID 95 (L): C 177.200 177.200 176.907 0.293 RESID 95 (L): CA 56.710 56.710 55.976 0.734 RESID 95 (L): CB 43.480 43.480 42.459 1.021 RESID 95 (L): H 7.708 7.708 7.643 0.065 RESID 96 (Q): N 124.900 124.900 124.473 0.427 RESID 96 (Q): C 175.000 175.000 175.955 -0.955 RESID 96 (Q): CA 55.570 55.570 54.934 0.636 RESID 96 (Q): CB 30.080 30.080 29.754 0.326 RESID 96 (Q): H 7.526 7.526 8.404 -0.878 RESID 97 (R): N 126.000 126.000 119.558 6.442 RESID 97 (R): C 176.800 176.800 176.211 0.589 RESID 97 (R): CA 55.610 55.610 56.637 -1.027 RESID 97 (R): CB 31.840 31.840 30.212 1.628 RESID 97 (R): H 9.039 9.039 8.538 0.501 RESID 98 (L): N 126.500 126.500 122.999 3.501 RESID 98 (L): C 175.400 175.400 175.799 -0.399 RESID 98 (L): CA 56.610 56.610 54.171 2.439 RESID 98 (L): CB 47.140 47.140 43.816 3.324 RESID 98 (L): H 8.247 8.247 8.651 -0.404 RESID 99 (Y): N 110.000 110.000 111.960 -1.960 RESID 99 (Y): C 173.200 173.200 174.588 -1.388 RESID 99 (Y): CA 55.320 55.320 56.168 -0.848 RESID 99 (Y): CB 38.350 38.350 39.340 -0.990 RESID 99 (Y): H 6.465 6.465 7.820 -1.355 RESID 100 (I): N 120.000 120.000 126.199 -6.199 RESID 100 (I): C 176.800 176.800 177.143 -0.343 RESID 100 (I): CA 61.290 61.290 63.124 -1.834 RESID 100 (I): CB 39.980 39.980 36.416 3.564 RESID 100 (I): H 8.725 8.725 8.635 0.090 RESID 101 (G): N 114.800 114.800 113.916 0.884 RESID 101 (G): C 173.400 173.400 174.105 -0.705 RESID 101 (G): CA 47.030 47.030 44.824 2.206 RESID 101 (G): H 8.224 8.224 8.470 -0.246 RESID 102 (E): N 129.600 129.600 118.693 10.907 RESID 102 (E): C 173.700 173.700 174.471 -0.771 RESID 102 (E): CA 54.480 54.480 53.993 0.487 RESID 102 (E): CB 29.790 29.790 27.753 2.037 RESID 102 (E): H 8.294 8.294 8.004 0.290 RESID 103 (P): C 175.400 175.400 176.228 -0.828 RESID 103 (P): CA 62.040 62.040 63.411 -1.371 RESID 103 (P): CB 32.570 32.570 32.658 -0.088 RESID 104 (S): N 111.900 111.900 117.116 -5.216 RESID 104 (S): C 174.800 174.800 174.650 0.150 RESID 104 (S): CA 55.340 55.340 58.486 -3.147 RESID 104 (S): CB 64.330 64.330 64.380 -0.050 RESID 104 (S): H 5.412 5.412 7.972 -2.560 RESID 105 (A): N 130.200 130.200 129.972 0.228 RESID 105 (A): C 179.400 179.400 179.059 0.341 RESID 105 (A): CA 55.070 55.070 54.325 0.744 RESID 105 (A): CB 18.210 18.210 19.114 -0.904 RESID 105 (A): H 9.211 9.211 8.877 0.334 RESID 106 (E): N 119.800 119.800 119.422 0.378 RESID 106 (E): C 179.300 179.300 178.857 0.443 RESID 106 (E): CA 60.270 60.270 59.024 1.246 RESID 106 (E): CB 28.990 28.990 29.464 -0.474 RESID 106 (E): H 8.731 8.731 8.587 0.144 RESID 107 (A): N 121.600 121.600 122.092 -0.492 RESID 107 (A): C 180.100 180.100 179.831 0.269 RESID 107 (A): CA 54.650 54.650 54.989 -0.339 RESID 107 (A): CB 19.220 19.220 18.450 0.770 RESID 107 (A): H 7.682 7.682 7.820 -0.138 RESID 108 (V): N 116.600 116.600 118.854 -2.254 RESID 108 (V): C 177.700 177.700 178.508 -0.808 RESID 108 (V): CA 66.920 66.920 65.748 1.172 RESID 108 (V): CB 31.430 31.430 31.322 0.108 RESID 108 (V): H 7.015 7.015 7.489 -0.474 RESID 109 (A): N 121.400 121.400 123.044 -1.644 RESID 109 (A): C 181.100 181.100 179.232 1.868 RESID 109 (A): CA 55.540 55.540 54.995 0.545 RESID 109 (A): CB 17.900 17.900 18.005 -0.105 RESID 109 (A): H 8.262 8.262 8.129 0.133 RESID 110 (A): N 118.800 118.800 119.544 -0.744 RESID 110 (A): C 178.900 178.900 178.633 0.267 RESID 110 (A): CA 54.300 54.300 54.543 -0.243 RESID 110 (A): CB 18.460 18.460 18.490 -0.030 RESID 110 (A): H 7.607 7.607 7.934 -0.327 RESID 111 (Q): N 113.500 113.500 114.590 -1.090 RESID 111 (Q): C 174.900 174.900 175.950 -1.050 RESID 111 (Q): CA 55.160 55.160 54.243 0.917 RESID 111 (Q): CB 28.450 28.450 28.601 -0.151 RESID 111 (Q): H 7.148 7.148 7.434 -0.286 RESID 112 (M): N 114.700 114.700 120.880 -6.180 RESID 112 (M): C 173.300 173.300 173.233 0.067 RESID 112 (M): CA 55.900 55.900 55.548 0.352 RESID 112 (M): CB 30.300 30.300 31.747 -1.447 RESID 112 (M): H 7.882 7.882 7.942 -0.060 RESID 113 (P): C 176.700 176.700 176.238 0.462 RESID 113 (P): CA 62.820 62.820 62.579 0.241 RESID 113 (P): CB 33.340 33.340 32.952 0.389 RESID 114 (D): N 115.800 115.800 117.991 -2.191 RESID 114 (D): C 175.900 175.900 175.974 -0.074 RESID 114 (D): CA 53.150 53.150 55.249 -2.099 RESID 114 (D): CB 40.990 40.990 42.828 -1.838 RESID 114 (D): H 8.850 8.850 8.231 0.619 RESID 115 (L): C 174.900 174.900 174.288 0.612 RESID 115 (L): CA 52.800 52.800 54.195 -1.395 RESID 116 (I): N 123.500 123.500 126.314 -2.814 RESID 116 (I): CA 60.270 60.270 60.353 -0.083 RESID 116 (I): H 9.340 9.340 8.001 1.339 RESID 118 (I): C 174.400 174.400 175.374 -0.974 RESID 118 (I): CA 60.250 60.250 59.820 0.430 RESID 118 (I): CB 42.610 42.610 41.594 1.016 RESID 119 (S): N 121.600 121.600 121.218 0.382 RESID 119 (S): C 175.700 175.700 175.105 0.595 RESID 119 (S): CA 57.150 57.150 57.741 -0.591 RESID 119 (S): CB 65.280 65.280 64.618 0.662 RESID 119 (S): H 9.575 9.575 8.537 1.038 RESID 120 (A): N 126.000 126.000 124.433 1.567 RESID 120 (A): C 176.900 176.900 177.390 -0.490 RESID 120 (A): CA 54.300 54.300 54.349 -0.049 RESID 120 (A): CB 20.530 20.530 19.000 1.530 RESID 120 (A): H 8.143 8.143 8.660 -0.517 RESID 121 (T): N 106.400 106.400 110.552 -4.152 RESID 121 (T): C 173.000 173.000 173.088 -0.088 RESID 121 (T): CA 59.450 59.450 61.919 -2.469 RESID 121 (T): CB 72.310 72.310 70.714 1.596 RESID 121 (T): H 7.617 7.617 7.836 -0.219 RESID 122 (G): N 104.200 104.200 110.681 -6.481 RESID 122 (G): C 177.200 177.200 174.129 3.071 RESID 122 (G): CA 44.430 44.430 45.200 -0.770 RESID 122 (G): H 7.998 7.998 7.835 0.163 RESID 123 (G): C 174.100 174.100 174.312 -0.212 RESID 123 (G): CA 46.710 46.710 45.673 1.037 RESID 124 (D): N 116.900 116.900 119.307 -2.407 RESID 124 (D): C 176.900 176.900 175.924 0.976 RESID 124 (D): CA 52.320 52.320 52.893 -0.573 RESID 124 (D): CB 40.690 40.690 40.633 0.057 RESID 124 (D): H 8.617 8.617 7.791 0.826 RESID 125 (S): N 115.100 115.100 119.220 -4.120 RESID 125 (S): C 176.900 176.900 175.240 1.660 RESID 125 (S): CA 58.750 58.750 58.691 0.059 RESID 125 (S): CB 64.190 64.190 64.054 0.136 RESID 125 (S): H 7.322 7.322 8.425 -1.103 RESID 126 (A): N 134.900 134.900 130.118 4.782 RESID 126 (A): C 176.700 176.700 178.653 -1.953 RESID 126 (A): CA 51.150 51.150 53.498 -2.348 RESID 126 (A): CB 16.850 16.850 19.089 -2.239 RESID 126 (A): H 8.837 8.837 8.585 0.252 RESID 127 (L): N 121.000 121.000 121.026 -0.026 RESID 127 (L): C 178.900 178.900 178.363 0.537 RESID 127 (L): CA 58.730 58.730 57.253 1.477 RESID 127 (L): CB 42.840 42.840 41.604 1.236 RESID 127 (L): H 7.353 7.353 8.151 -0.798 RESID 128 (A): N 121.600 121.600 118.209 3.391 RESID 128 (A): C 178.900 178.900 178.168 0.732 RESID 128 (A): CA 55.010 55.010 54.200 0.810 RESID 128 (A): CB 18.200 18.200 18.693 -0.493 RESID 128 (A): H 8.918 8.918 7.628 1.290 RESID 129 (L): N 116.800 116.800 116.226 0.574 RESID 129 (L): C 177.000 177.000 177.888 -0.888 RESID 129 (L): CA 53.930 53.930 55.201 -1.271 RESID 129 (L): CB 42.710 42.710 43.085 -0.375 RESID 129 (L): H 7.776 7.776 7.417 0.359 RESID 130 (Y): N 122.000 122.000 122.891 -0.891 RESID 130 (Y): C 177.100 177.100 176.797 0.303 RESID 130 (Y): CA 64.420 64.420 62.893 1.527 RESID 130 (Y): CB 39.470 39.470 38.415 1.055 RESID 130 (Y): H 7.891 7.891 8.985 -1.094 RESID 131 (D): N 119.000 119.000 117.828 1.172 RESID 131 (D): C 178.300 178.300 178.395 -0.095 RESID 131 (D): CA 58.040 58.040 57.422 0.618 RESID 131 (D): CB 39.660 39.660 39.362 0.298 RESID 131 (D): H 9.014 9.014 8.099 0.915 RESID 132 (Q): N 118.900 118.900 119.901 -1.001 RESID 132 (Q): C 179.100 179.100 178.822 0.278 RESID 132 (Q): CA 58.930 58.930 58.742 0.188 RESID 132 (Q): CB 29.320 29.320 28.739 0.581 RESID 132 (Q): H 7.814 7.814 7.956 -0.142 RESID 133 (L): N 119.700 119.700 120.046 -0.346 RESID 133 (L): C 177.900 177.900 178.620 -0.720 RESID 133 (L): CA 57.910 57.910 57.604 0.306 RESID 133 (L): CB 40.980 40.980 41.784 -0.804 RESID 133 (L): H 8.450 8.450 8.917 -0.467 RESID 134 (S): N 111.800 111.800 115.002 -3.202 RESID 134 (S): C 175.500 175.500 176.004 -0.504 RESID 134 (S): CA 61.160 61.160 60.838 0.322 RESID 134 (S): CB 63.450 63.450 62.648 0.802 RESID 134 (S): H 8.128 8.128 8.457 -0.329 RESID 135 (T): N 111.100 111.100 116.331 -5.231 RESID 135 (T): C 175.300 175.300 176.485 -1.185 RESID 135 (T): CA 63.230 63.230 65.269 -2.039 RESID 135 (T): CB 69.670 69.670 69.013 0.657 RESID 135 (T): H 6.953 6.953 7.594 -0.641 RESID 136 (I): N 124.400 124.400 120.445 3.955 RESID 136 (I): C 175.800 175.800 175.556 0.244 RESID 136 (I): CA 63.940 63.940 63.999 -0.059 RESID 136 (I): CB 38.870 38.870 38.523 0.347 RESID 136 (I): H 7.694 7.694 7.278 0.416 RESID 137 (A): N 120.500 120.500 118.540 1.960 RESID 137 (A): C 172.300 172.300 173.918 -1.618 RESID 137 (A): CA 50.470 50.470 50.609 -0.140 RESID 137 (A): CB 19.320 19.320 19.460 -0.140 RESID 137 (A): H 7.540 7.540 8.015 -0.475 RESID 138 (P): C 174.700 174.700 176.221 -1.521 RESID 138 (P): CA 64.700 64.700 63.490 1.210 RESID 138 (P): CB 31.610 31.610 31.574 0.036 RESID 139 (T): N 122.000 122.000 120.056 1.944 RESID 139 (T): C 173.900 173.900 173.998 -0.098 RESID 139 (T): CA 61.630 61.630 63.210 -1.580 RESID 139 (T): CB 71.540 71.540 69.670 1.870 RESID 139 (T): H 7.990 7.990 8.165 -0.175 RESID 140 (L): C 174.900 174.900 174.304 0.596 RESID 140 (L): CA 52.740 52.740 53.539 -0.799 RESID 140 (L): CB 46.680 46.680 45.940 0.740 RESID 141 (I): N 123.500 123.500 125.996 -2.496 RESID 141 (I): C 175.700 175.700 174.578 1.122 RESID 141 (I): CA 60.250 60.250 61.279 -1.029 RESID 141 (I): CB 39.590 39.590 38.452 1.138 RESID 141 (I): H 9.345 9.345 7.916 1.429 RESID 142 (I): N 129.000 129.000 127.090 1.910 RESID 142 (I): C 174.400 174.400 174.195 0.205 RESID 142 (I): CA 57.930 57.930 59.864 -1.934 RESID 142 (I): CB 39.690 39.690 41.994 -2.304 RESID 142 (I): H 9.030 9.030 8.849 0.181 RESID 143 (N): N 129.100 129.100 124.226 4.874 RESID 143 (N): C 174.700 174.700 174.235 0.465 RESID 143 (N): CA 51.390 51.390 53.302 -1.912 RESID 143 (N): CB 39.720 39.720 39.623 0.097 RESID 143 (N): H 9.388 9.388 8.670 0.718 RESID 144 (Y): N 119.900 119.900 125.930 -6.030 RESID 144 (Y): C 176.500 176.500 174.787 1.713 RESID 144 (Y): CA 55.820 55.820 59.510 -3.689 RESID 144 (Y): CB 39.120 39.120 39.268 -0.148 RESID 144 (Y): H 8.491 8.491 8.412 0.079 RESID 145 (D): N 125.200 125.200 124.463 0.737 RESID 145 (D): C 176.800 176.800 175.030 1.770 RESID 145 (D): CA 55.220 55.220 55.429 -0.209 RESID 145 (D): CB 43.120 43.120 39.777 3.343 RESID 145 (D): H 8.800 8.800 8.361 0.439 RESID 146 (D): N 119.100 119.100 114.957 4.143 RESID 146 (D): C 175.200 175.200 175.274 -0.074 RESID 146 (D): CA 53.230 53.230 53.618 -0.389 RESID 146 (D): CB 40.760 40.760 42.447 -1.688 RESID 146 (D): H 7.571 7.571 8.617 -1.046 RESID 147 (K): N 114.100 114.100 119.854 -5.754 RESID 147 (K): C 175.000 175.000 175.276 -0.276 RESID 147 (K): CA 54.070 54.070 55.618 -1.548 RESID 147 (K): CB 33.340 33.340 35.103 -1.763 RESID 147 (K): H 7.018 7.018 7.568 -0.550 RESID 148 (S): N 118.300 118.300 118.798 -0.498 RESID 148 (S): C 175.700 175.700 176.066 -0.366 RESID 148 (S): CA 57.120 57.120 57.170 -0.050 RESID 148 (S): CB 64.970 64.970 64.274 0.696 RESID 148 (S): H 8.709 8.709 8.484 0.225 RESID 149 (W): N 121.700 121.700 119.873 1.827 RESID 149 (W): C 179.300 179.300 177.241 2.059 RESID 149 (W): CA 59.890 59.890 58.547 1.343 RESID 149 (W): CB 27.660 27.660 28.401 -0.741 RESID 149 (W): H 8.779 8.779 8.887 -0.108 RESID 150 (Q): N 124.600 124.600 121.460 3.140 RESID 150 (Q): C 178.100 178.100 177.797 0.303 RESID 150 (Q): CA 61.660 61.660 58.286 3.374 RESID 150 (Q): CB 26.550 26.550 27.757 -1.207 RESID 150 (Q): H 8.369 8.369 6.757 1.612 RESID 151 (S): N 117.500 117.500 116.366 1.134 RESID 151 (S): C 177.500 177.500 176.914 0.586 RESID 151 (S): CA 61.760 61.760 61.244 0.516 RESID 151 (S): CB 63.360 63.360 62.772 0.588 RESID 151 (S): H 7.769 7.769 7.743 0.026 RESID 152 (L): N 125.200 125.200 122.758 2.442 RESID 152 (L): C 178.700 178.700 178.140 0.560 RESID 152 (L): CA 58.320 58.320 57.940 0.380 RESID 152 (L): CB 41.980 41.980 41.693 0.287 RESID 152 (L): H 8.460 8.460 8.380 0.080 RESID 153 (L): N 119.200 119.200 118.627 0.573 RESID 153 (L): C 179.700 179.700 178.667 1.033 RESID 153 (L): CA 58.960 58.960 57.536 1.424 RESID 153 (L): CB 41.270 41.270 41.368 -0.098 RESID 153 (L): H 8.562 8.562 7.632 0.930 RESID 154 (T): N 116.300 116.300 112.815 3.485 RESID 154 (T): C 177.200 177.200 176.893 0.307 RESID 154 (T): CA 67.290 67.290 65.990 1.300 RESID 154 (T): CB 68.640 68.640 68.111 0.530 RESID 154 (T): H 8.004 8.004 7.863 0.141 RESID 155 (Q): N 124.500 124.500 121.018 3.482 RESID 155 (Q): C 179.200 179.200 178.021 1.179 RESID 155 (Q): CA 59.710 59.710 58.348 1.362 RESID 155 (Q): CB 28.620 28.620 28.363 0.257 RESID 155 (Q): H 8.230 8.230 7.928 0.302 RESID 156 (L): C 180.900 180.900 179.268 1.632 RESID 156 (L): CA 57.540 57.540 56.917 0.623 RESID 156 (L): CB 41.710 41.710 41.842 -0.132 RESID 157 (G): N 112.800 112.800 107.005 5.795 RESID 157 (G): C 174.500 174.500 175.052 -0.552 RESID 157 (G): CA 48.300 48.300 46.504 1.796 RESID 157 (G): H 9.216 9.216 8.023 1.193 RESID 158 (E): N 123.500 123.500 118.693 4.807 RESID 158 (E): C 177.800 177.800 177.178 0.622 RESID 158 (E): CA 59.120 59.120 57.882 1.238 RESID 158 (E): CB 29.700 29.700 29.395 0.305 RESID 158 (E): H 7.480 7.480 7.463 0.017 RESID 160 (T): C 178.300 178.300 176.007 2.293 RESID 160 (T): CA 61.930 61.930 63.094 -1.164 RESID 160 (T): CB 71.830 71.830 69.203 2.627 RESID 161 (G): N 113.600 113.600 113.930 -0.330 RESID 161 (G): C 174.600 174.600 174.178 0.422 RESID 161 (G): CA 48.130 48.130 46.879 1.251 RESID 161 (G): H 8.114 8.114 8.997 -0.883 RESID 162 (H): N 121.000 121.000 116.165 4.835 RESID 162 (H): C 174.000 174.000 176.183 -2.183 RESID 162 (H): CA 55.370 55.370 55.874 -0.504 RESID 162 (H): CB 28.280 28.280 31.248 -2.968 RESID 162 (H): H 8.506 8.506 7.836 0.670 RESID 163 (E): N 123.900 123.900 122.142 1.758 RESID 163 (E): C 180.800 180.800 178.478 2.322 RESID 163 (E): CA 61.160 61.160 59.760 1.401 RESID 163 (E): CB 28.720 28.720 29.143 -0.423 RESID 163 (E): H 10.300 10.300 8.774 1.526 RESID 164 (K): N 120.600 120.600 120.361 0.239 RESID 164 (K): C 178.700 178.700 178.791 -0.091 RESID 164 (K): CA 59.590 59.590 60.047 -0.457 RESID 164 (K): CB 32.280 32.280 31.973 0.307 RESID 164 (K): H 8.789 8.789 8.390 0.399 RESID 165 (Q): N 119.500 119.500 117.333 2.167 RESID 165 (Q): C 178.800 178.800 178.137 0.663 RESID 165 (Q): CA 60.870 60.870 58.849 2.021 RESID 165 (Q): CB 28.120 28.120 28.383 -0.263 RESID 165 (Q): H 8.058 8.058 8.539 -0.481 RESID 166 (A): N 121.100 121.100 122.421 -1.321 RESID 166 (A): C 178.000 178.000 179.428 -1.428 RESID 166 (A): CA 56.280 56.280 54.964 1.316 RESID 166 (A): CB 18.300 18.300 18.075 0.225 RESID 166 (A): H 7.873 7.873 8.070 -0.197 RESID 167 (A): N 117.900 117.900 120.929 -3.029 RESID 167 (A): C 181.500 181.500 179.619 1.881 RESID 167 (A): CA 55.100 55.100 55.251 -0.151 RESID 167 (A): CB 17.860 17.860 18.170 -0.310 RESID 167 (A): H 7.642 7.642 8.747 -1.105 RESID 168 (E): N 120.100 120.100 118.588 1.512 RESID 168 (E): C 179.600 179.600 179.130 0.470 RESID 168 (E): CA 59.610 59.610 59.612 -0.002 RESID 168 (E): CB 29.790 29.790 29.336 0.454 RESID 168 (E): H 8.230 8.230 7.915 0.315 RESID 170 (I): C 177.700 177.700 177.689 0.011 RESID 170 (I): CA 66.880 66.880 65.290 1.590 RESID 170 (I): CB 39.310 39.310 37.955 1.355 RESID 171 (A): N 120.700 120.700 123.212 -2.512 RESID 171 (A): C 181.200 181.200 179.833 1.367 RESID 171 (A): CA 55.290 55.290 55.640 -0.350 RESID 171 (A): CB 18.260 18.260 18.109 0.151 RESID 171 (A): H 8.000 8.000 8.778 -0.778 RESID 172 (Q): N 120.600 120.600 118.034 2.566 RESID 172 (Q): C 179.200 179.200 178.582 0.618 RESID 172 (Q): CA 59.210 59.210 58.513 0.697 RESID 172 (Q): CB 28.340 28.340 28.595 -0.254 RESID 172 (Q): H 8.585 8.585 7.954 0.631 RESID 173 (F): N 122.500 122.500 122.597 -0.097 RESID 173 (F): C 176.400 176.400 177.407 -1.007 RESID 173 (F): CA 62.710 62.710 61.103 1.607 RESID 173 (F): CB 39.490 39.490 39.126 0.364 RESID 173 (F): H 8.457 8.457 8.743 -0.286 RESID 174 (D): N 121.000 121.000 120.116 0.884 RESID 174 (D): C 180.300 180.300 178.880 1.420 RESID 174 (D): CA 58.040 58.040 57.492 0.548 RESID 174 (D): CB 40.160 40.160 40.250 -0.090 RESID 174 (D): H 8.771 8.771 9.036 -0.265 RESID 175 (K): N 121.300 121.300 120.225 1.075 RESID 175 (K): C 179.800 179.800 178.636 1.164 RESID 175 (K): CA 59.630 59.630 59.643 -0.013 RESID 175 (K): CB 32.710 32.710 32.398 0.312 RESID 175 (K): H 8.125 8.125 8.205 -0.080 RESID 176 (Q): N 121.600 121.600 119.508 2.092 RESID 176 (Q): C 179.100 179.100 178.332 0.768 RESID 176 (Q): CA 58.460 58.460 58.937 -0.477 RESID 176 (Q): CB 27.990 27.990 28.525 -0.535 RESID 176 (Q): H 8.164 8.164 7.823 0.341 RESID 177 (L): N 125.600 125.600 119.595 6.005 RESID 177 (L): C 178.400 178.400 178.671 -0.271 RESID 177 (L): CA 59.890 59.890 57.228 2.662 RESID 177 (L): CB 41.200 41.200 41.362 -0.162 RESID 177 (L): H 8.944 8.944 7.743 1.201 RESID 178 (A): N 121.500 121.500 122.576 -1.076 RESID 178 (A): C 180.600 180.600 179.224 1.376 RESID 178 (A): CA 55.390 55.390 55.197 0.193 RESID 178 (A): CB 17.970 17.970 17.878 0.092 RESID 178 (A): H 7.690 7.690 8.241 -0.551 RESID 179 (A): N 120.200 120.200 121.005 -0.805 RESID 179 (A): C 180.600 180.600 179.883 0.717 RESID 179 (A): CA 54.860 54.860 54.524 0.336 RESID 179 (A): CB 18.190 18.190 18.595 -0.404 RESID 179 (A): H 7.706 7.706 7.657 0.049 RESID 180 (A): N 121.800 121.800 121.795 0.005 RESID 180 (A): C 179.200 179.200 179.104 0.096 RESID 180 (A): CA 55.490 55.490 54.740 0.750 RESID 180 (A): CB 17.920 17.920 18.194 -0.274 RESID 180 (A): H 8.171 8.171 7.990 0.181 RESID 181 (K): N 118.100 118.100 117.962 0.138 RESID 181 (K): C 178.000 178.000 178.112 -0.112 RESID 181 (K): CA 59.830 59.830 59.199 0.631 RESID 181 (K): CB 33.340 33.340 32.638 0.702 RESID 181 (K): H 8.342 8.342 8.320 0.022 RESID 182 (E): N 114.400 114.400 116.549 -2.149 RESID 182 (E): C 177.300 177.300 177.430 -0.130 RESID 182 (E): CA 57.870 57.870 57.133 0.737 RESID 182 (E): CB 30.320 30.320 29.232 1.088 RESID 182 (E): H 7.153 7.153 7.724 -0.571 RESID 183 (Q): N 116.700 116.700 117.386 -0.686 RESID 183 (Q): C 177.200 177.200 176.176 1.024 RESID 183 (Q): CA 57.060 57.060 56.824 0.236 RESID 183 (Q): CB 31.550 31.550 31.136 0.414 RESID 183 (Q): H 7.458 7.458 7.643 -0.185 RESID 184 (I): N 117.800 117.800 115.862 1.938 RESID 184 (I): C 175.200 175.200 174.240 0.960 RESID 184 (I): CA 63.000 63.000 59.741 3.259 RESID 184 (I): CB 40.300 40.300 39.963 0.337 RESID 184 (I): H 7.723 7.723 7.434 0.289 RESID 185 (K): N 127.700 127.700 122.910 4.790 RESID 185 (K): C 175.600 175.600 175.626 -0.026 RESID 185 (K): CA 54.550 54.550 55.125 -0.575 RESID 185 (K): CB 31.600 31.600 34.517 -2.917 RESID 185 (K): H 8.743 8.743 7.911 0.832 RESID 186 (L): N 124.700 124.700 125.745 -1.045 RESID 186 (L): C 175.700 175.700 175.911 -0.211 RESID 186 (L): CA 54.240 54.240 51.883 2.357 RESID 186 (L): CB 41.050 41.050 40.667 0.383 RESID 186 (L): H 8.051 8.051 8.478 -0.427 RESID 188 (P): C 174.800 174.800 176.252 -1.452 RESID 188 (P): CA 65.060 65.060 63.594 1.466 RESID 188 (P): CB 32.670 32.670 31.674 0.996 RESID 189 (Q): N 121.300 121.300 120.949 0.351 RESID 189 (Q): C 174.800 174.800 172.943 1.857 RESID 189 (Q): CA 52.330 52.330 54.712 -2.382 RESID 189 (Q): CB 31.350 31.350 30.437 0.913 RESID 189 (Q): H 8.061 8.061 8.220 -0.159 RESID 190 (P): C 175.500 175.500 175.593 -0.093 RESID 190 (P): CA 62.820 62.820 62.476 0.344 RESID 190 (P): CB 35.450 35.450 32.807 2.643 RESID 191 (V): N 112.600 112.600 121.656 -9.056 RESID 191 (V): C 174.300 174.300 173.969 0.331 RESID 191 (V): CA 59.740 59.740 59.521 0.219 RESID 191 (V): CB 35.030 35.030 34.694 0.336 RESID 191 (V): H 9.214 9.214 8.515 0.699 RESID 192 (T): N 120.700 120.700 113.382 7.318 RESID 192 (T): C 172.300 172.300 172.095 0.205 RESID 192 (T): CA 63.030 63.030 59.527 3.503 RESID 192 (T): CB 71.550 71.550 71.258 0.292 RESID 192 (T): H 8.462 8.462 8.320 0.142 RESID 193 (A): N 132.900 132.900 123.004 9.896 RESID 193 (A): C 175.400 175.400 175.410 -0.010 RESID 193 (A): CA 50.570 50.570 51.114 -0.544 RESID 193 (A): CB 21.140 21.140 21.439 -0.299 RESID 193 (A): H 10.170 10.170 8.557 1.613 RESID 194 (I): N 115.400 115.400 117.460 -2.060 RESID 194 (I): C 176.600 176.600 173.694 2.906 RESID 194 (I): CA 59.540 59.540 60.011 -0.471 RESID 194 (I): CB 43.930 43.930 42.119 1.811 RESID 194 (I): H 9.269 9.269 8.526 0.743 RESID 195 (V): N 118.500 118.500 122.743 -4.243 RESID 195 (V): C 176.200 176.200 174.067 2.133 RESID 195 (V): CA 63.190 63.190 61.377 1.813 RESID 195 (V): CB 34.870 34.870 34.736 0.134 RESID 195 (V): H 8.484 8.484 8.641 -0.157 RESID 196 (Y): N 132.200 132.200 129.459 2.741 RESID 196 (Y): C 174.700 174.700 174.145 0.555 RESID 196 (Y): CA 57.000 57.000 57.419 -0.419 RESID 196 (Y): CB 41.250 41.250 40.191 1.059 RESID 196 (Y): H 9.989 9.989 8.979 1.010 RESID 197 (T): N 124.900 124.900 123.417 1.483 RESID 197 (T): C 174.300 174.300 173.368 0.932 RESID 197 (T): CA 60.740 60.740 60.636 0.104 RESID 197 (T): CB 68.560 68.560 71.590 -3.030 RESID 197 (T): H 8.262 8.262 7.828 0.434 RESID 198 (A): N 130.500 130.500 130.845 -0.345 RESID 198 (A): C 180.400 180.400 179.169 1.231 RESID 198 (A): CA 55.510 55.510 54.329 1.181 RESID 198 (A): CB 18.480 18.480 18.390 0.090 RESID 198 (A): H 8.524 8.524 8.846 -0.322 RESID 199 (A): N 118.700 118.700 123.456 -4.756 RESID 199 (A): C 177.700 177.700 178.731 -1.031 RESID 199 (A): CA 54.350 54.350 54.847 -0.497 RESID 199 (A): CB 18.350 18.350 17.970 0.380 RESID 199 (A): H 8.578 8.578 8.275 0.303 RESID 200 (A): N 116.700 116.700 120.532 -3.832 RESID 200 (A): C 176.600 176.600 177.246 -0.646 RESID 200 (A): CA 51.290 51.290 52.096 -0.806 RESID 200 (A): CB 20.180 20.180 18.862 1.318 RESID 200 (A): H 6.638 6.638 8.094 -1.456 RESID 201 (H): N 116.900 116.900 116.461 0.439 RESID 201 (H): C 172.900 172.900 173.397 -0.497 RESID 201 (H): CA 56.710 56.710 56.325 0.385 RESID 201 (H): CB 27.820 27.820 28.244 -0.424 RESID 201 (H): H 7.569 7.569 7.762 -0.193 RESID 202 (S): N 110.500 110.500 114.447 -3.947 RESID 202 (S): C 171.500 171.500 171.466 0.034 RESID 202 (S): CA 56.530 56.530 57.598 -1.068 RESID 202 (S): CB 66.170 66.170 66.322 -0.152 RESID 202 (S): H 7.109 7.109 7.804 -0.695 RESID 203 (A): N 120.900 120.900 123.893 -2.993 RESID 203 (A): C 174.900 174.900 175.284 -0.384 RESID 203 (A): CA 50.890 50.890 51.421 -0.531 RESID 203 (A): CB 24.510 24.510 22.206 2.304 RESID 203 (A): H 8.618 8.618 8.302 0.316 RESID 204 (N): N 118.900 118.900 118.843 0.057 RESID 204 (N): C 173.300 173.300 173.456 -0.156 RESID 204 (N): CA 51.520 51.520 52.073 -0.553 RESID 204 (N): CB 40.080 40.080 42.176 -2.096 RESID 204 (N): H 8.333 8.333 8.220 0.113 RESID 205 (L): N 127.200 127.200 121.710 5.490 RESID 205 (L): C 175.700 175.700 175.572 0.128 RESID 205 (L): CA 54.920 54.920 54.064 0.856 RESID 205 (L): CB 44.180 44.180 42.657 1.524 RESID 205 (L): H 9.265 9.265 7.613 1.652 RESID 206 (W): N 125.300 125.300 123.651 1.649 RESID 206 (W): C 177.100 177.100 176.450 0.650 RESID 206 (W): CA 56.630 56.630 57.374 -0.744 RESID 206 (W): CB 29.690 29.690 30.826 -1.136 RESID 206 (W): H 8.560 8.560 7.920 0.640 RESID 207 (T): N 112.000 112.000 110.214 1.786 RESID 207 (T): C 176.100 176.100 173.284 2.816 RESID 207 (T): CA 60.120 60.120 59.243 0.877 RESID 207 (T): CB 68.540 68.540 70.391 -1.851 RESID 207 (T): H 8.029 8.029 8.138 -0.109 RESID 208 (P): C 176.000 176.000 176.854 -0.854 RESID 208 (P): CA 66.120 66.120 65.404 0.716 RESID 208 (P): CB 31.950 31.950 32.163 -0.213 RESID 209 (E): N 112.300 112.300 115.041 -2.741 RESID 209 (E): C 177.100 177.100 176.807 0.293 RESID 209 (E): CA 57.280 57.280 57.206 0.074 RESID 209 (E): CB 29.760 29.760 30.145 -0.385 RESID 209 (E): H 7.612 7.612 7.963 -0.351 RESID 210 (S): N 115.800 115.800 115.081 0.719 RESID 210 (S): C 173.900 173.900 175.528 -1.628 RESID 210 (S): CA 58.060 58.060 59.142 -1.082 RESID 210 (S): CB 67.320 67.320 64.473 2.847 RESID 210 (S): H 7.654 7.654 7.433 0.221 RESID 211 (A): N 125.200 125.200 127.310 -2.110 RESID 211 (A): C 180.600 180.600 179.850 0.750 RESID 211 (A): CA 55.410 55.410 55.303 0.107 RESID 211 (A): CB 18.530 18.530 18.763 -0.233 RESID 211 (A): H 8.874 8.874 9.024 -0.150 RESID 212 (Q): N 119.200 119.200 118.624 0.576 RESID 212 (Q): C 177.100 177.100 178.014 -0.914 RESID 212 (Q): CA 61.410 61.410 58.962 2.448 RESID 212 (Q): CB 27.090 27.090 27.423 -0.333 RESID 212 (Q): H 8.493 8.493 8.479 0.014 RESID 213 (G): N 107.500 107.500 107.659 -0.159 RESID 213 (G): C 175.400 175.400 176.315 -0.915 RESID 213 (G): CA 47.520 47.520 46.828 0.692 RESID 213 (G): H 8.053 8.053 8.298 -0.245 RESID 214 (Q): N 120.700 120.700 121.465 -0.765 RESID 214 (Q): C 179.000 179.000 178.384 0.616 RESID 214 (Q): CA 59.150 59.150 58.858 0.292 RESID 214 (Q): CB 29.110 29.110 28.688 0.422 RESID 214 (Q): H 8.501 8.501 8.064 0.437 RESID 215 (M): N 119.200 119.200 120.622 -1.422 RESID 215 (M): C 177.800 177.800 178.179 -0.379 RESID 215 (M): CA 59.760 59.760 59.649 0.111 RESID 215 (M): CB 32.050 32.050 32.848 -0.798 RESID 215 (M): H 7.878 7.878 8.165 -0.287 RESID 216 (L): N 115.800 115.800 118.792 -2.992 RESID 216 (L): C 179.900 179.900 179.033 0.867 RESID 216 (L): CA 58.160 58.160 57.653 0.507 RESID 216 (L): CB 40.010 40.010 41.456 -1.446 RESID 216 (L): H 7.517 7.517 7.974 -0.457 RESID 217 (E): N 121.000 121.000 119.644 1.356 RESID 217 (E): C 182.200 182.200 179.233 2.967 RESID 217 (E): CA 60.210 60.210 58.923 1.287 RESID 217 (E): CB 29.150 29.150 29.417 -0.267 RESID 217 (E): H 8.377 8.377 8.161 0.216 RESID 218 (Q): N 122.300 122.300 117.107 5.193 RESID 218 (Q): C 178.100 178.100 178.890 -0.790 RESID 218 (Q): CA 59.220 59.220 58.266 0.954 RESID 218 (Q): CB 28.850 28.850 29.124 -0.274 RESID 218 (Q): H 8.464 8.464 7.915 0.549 RESID 219 (L): N 118.400 118.400 117.850 0.550 RESID 219 (L): C 175.200 175.200 177.436 -2.236 RESID 219 (L): CA 55.880 55.880 57.269 -1.389 RESID 219 (L): CB 44.330 44.330 42.877 1.453 RESID 219 (L): H 7.433 7.433 7.768 -0.335 RESID 220 (G): N 104.600 104.600 102.675 1.925 RESID 220 (G): C 174.700 174.700 172.928 1.772 RESID 220 (G): CA 44.750 44.750 44.682 0.068 RESID 220 (G): H 7.777 7.777 8.159 -0.382 RESID 221 (F): N 119.100 119.100 118.929 0.171 RESID 221 (F): C 175.200 175.200 174.344 0.856 RESID 221 (F): CA 57.900 57.900 55.957 1.943 RESID 221 (F): CB 38.930 38.930 42.778 -3.848 RESID 221 (F): H 8.001 8.001 7.772 0.229 RESID 222 (T): N 117.600 117.600 115.981 1.619 RESID 222 (T): C 173.900 173.900 173.377 0.523 RESID 222 (T): CA 61.790 61.790 61.212 0.578 RESID 222 (T): CB 71.360 71.360 69.796 1.564 RESID 222 (T): H 8.961 8.961 8.562 0.399 RESID 223 (L): N 128.300 128.300 127.092 1.208 RESID 223 (L): C 178.300 178.300 176.634 1.666 RESID 223 (L): CA 54.760 54.760 53.406 1.355 RESID 223 (L): CB 41.600 41.600 42.744 -1.144 RESID 223 (L): H 9.269 9.269 8.210 1.059 RESID 224 (A): N 126.800 126.800 128.097 -1.297 RESID 224 (A): C 177.400 177.400 175.860 1.540 RESID 224 (A): CA 52.460 52.460 50.989 1.471 RESID 224 (A): CB 18.650 18.650 20.833 -2.183 RESID 224 (A): H 9.077 9.077 8.108 0.969 RESID 225 (K): N 123.400 123.400 121.157 2.243 RESID 225 (K): C 176.800 176.800 176.189 0.611 RESID 225 (K): CA 55.600 55.600 55.575 0.025 RESID 225 (K): CB 33.080 33.080 32.910 0.170 RESID 225 (K): H 8.601 8.601 8.363 0.238 RESID 226 (L): N 126.200 126.200 128.008 -1.808 RESID 226 (L): C 175.500 175.500 175.608 -0.108 RESID 226 (L): CA 53.420 53.420 53.943 -0.523 RESID 226 (L): CB 41.720 41.720 41.242 0.478 RESID 226 (L): H 8.634 8.634 8.522 0.112 RESID 227 (P): C 176.800 176.800 177.075 -0.275 RESID 227 (P): CA 62.860 62.860 62.890 -0.030 RESID 227 (P): CB 32.360 32.360 32.185 0.175 RESID 228 (A): N 124.900 124.900 124.840 0.060 RESID 228 (A): C 179.500 179.500 178.499 1.001 RESID 228 (A): CA 54.120 54.120 53.419 0.701 RESID 228 (A): CB 18.710 18.710 18.705 0.005 RESID 228 (A): H 8.412 8.412 8.513 -0.101 RESID 229 (G): N 107.700 107.700 107.511 0.189 RESID 229 (G): C 175.000 175.000 175.987 -0.987 RESID 229 (G): CA 46.040 46.040 45.434 0.605 RESID 229 (G): H 8.565 8.565 8.103 0.462 RESID 230 (L): N 121.100 121.100 122.287 -1.187 RESID 230 (L): C 176.900 176.900 178.377 -1.477 RESID 230 (L): CA 55.620 55.620 55.548 0.072 RESID 230 (L): CB 42.630 42.630 41.668 0.962 RESID 230 (L): H 7.454 7.454 7.867 -0.413 RESID 231 (N): N 119.400 119.400 119.826 -0.426 RESID 231 (N): C 175.300 175.300 175.928 -0.628 RESID 231 (N): CA 53.650 53.650 56.139 -2.490 RESID 231 (N): CB 38.940 38.940 37.995 0.945 RESID 231 (N): H 8.211 8.211 8.017 0.194 RESID 232 (A): N 124.500 124.500 119.555 4.945 RESID 232 (A): C 178.100 178.100 178.070 0.030 RESID 232 (A): CA 53.110 53.110 51.739 1.371 RESID 232 (A): CB 19.340 19.340 18.030 1.310 RESID 232 (A): H 8.103 8.103 7.953 0.150 RESID 233 (S): N 115.200 115.200 115.221 -0.021 RESID 233 (S): C 175.100 175.100 175.576 -0.476 RESID 233 (S): CA 59.280 59.280 60.986 -1.706 RESID 233 (S): CB 64.280 64.280 63.337 0.943 RESID 233 (S): H 8.169 8.169 8.427 -0.258 RESID 234 (Q): N 122.100 122.100 120.602 1.498 RESID 234 (Q): C 176.400 176.400 175.671 0.729 RESID 234 (Q): CA 56.240 56.240 56.060 0.180 RESID 234 (Q): CB 29.490 29.490 30.826 -1.337 RESID 234 (Q): H 8.230 8.230 7.770 0.460 RESID 235 (S): N 117.100 117.100 118.117 -1.017 RESID 235 (S): C 174.900 174.900 174.659 0.241 RESID 235 (S): CA 58.910 58.910 58.901 0.009 RESID 235 (S): CB 64.510 64.510 62.882 1.628 RESID 235 (S): H 8.229 8.229 8.439 -0.210 RESID 236 (Q): N 122.300 122.300 127.135 -4.835 RESID 236 (Q): C 176.700 176.700 175.444 1.256 RESID 236 (Q): CA 56.610 56.610 55.495 1.115 RESID 236 (Q): CB 29.280 29.280 27.632 1.648 RESID 236 (Q): H 8.372 8.372 8.851 -0.479 RESID 237 (G): N 110.400 110.400 109.032 1.368 RESID 237 (G): C 174.100 174.100 172.963 1.137 RESID 237 (G): CA 45.720 45.720 45.472 0.248 RESID 237 (G): H 8.381 8.381 7.579 0.802 RESID 238 (K): N 120.500 120.500 121.456 -0.956 RESID 238 (K): C 176.600 176.600 175.484 1.116 RESID 238 (K): CA 56.490 56.490 56.026 0.464 RESID 238 (K): CB 33.320 33.320 32.763 0.557 RESID 238 (K): H 7.968 7.968 8.356 -0.388 RESID 239 (R): N 120.900 120.900 124.998 -4.098 RESID 239 (R): CA 56.130 56.130 55.944 0.186 RESID 239 (R): CB 31.560 31.560 30.909 0.651 RESID 239 (R): H 8.159 8.159 8.503 -0.344 RESID 240 (H): C 174.800 174.800 176.518 -1.718 RESID 240 (H): CA 55.740 55.740 58.647 -2.907 RESID 240 (H): CB 29.760 29.760 30.072 -0.312 RESID 241 (D): N 119.800 119.800 119.231 0.569 RESID 241 (D): C 174.700 174.700 176.272 -1.572 RESID 241 (D): CA 55.500 55.500 55.985 -0.485 RESID 241 (D): CB 40.550 40.550 41.218 -0.668 RESID 241 (D): H 9.052 9.052 8.390 0.662 RESID 242 (I): N 115.200 115.200 115.027 0.173 RESID 242 (I): C 175.600 175.600 174.390 1.210 RESID 242 (I): CA 59.090 59.090 59.410 -0.320 RESID 242 (I): CB 43.670 43.670 40.920 2.750 RESID 242 (I): H 7.087 7.087 7.412 -0.325 RESID 243 (I): N 125.100 125.100 126.184 -1.084 RESID 243 (I): C 175.300 175.300 174.267 1.033 RESID 243 (I): CA 60.340 60.340 60.630 -0.290 RESID 243 (I): CB 41.290 41.290 38.411 2.879 RESID 243 (I): H 8.746 8.746 8.513 0.233 RESID 244 (Q): N 128.400 128.400 127.543 0.857 RESID 244 (Q): C 175.300 175.300 174.253 1.047 RESID 244 (Q): CA 56.460 56.460 54.927 1.533 RESID 244 (Q): CB 29.800 29.800 29.785 0.015 RESID 244 (Q): H 8.768 8.768 8.602 0.166 RESID 245 (L): N 125.500 125.500 123.488 2.012 RESID 245 (L): C 176.200 176.200 176.616 -0.416 RESID 245 (L): CA 53.790 53.790 53.104 0.686 RESID 245 (L): CB 45.100 45.100 44.856 0.244 RESID 245 (L): H 8.640 8.640 8.345 0.295 RESID 246 (G): N 109.700 109.700 105.068 4.632 RESID 246 (G): C 174.200 174.200 174.324 -0.124 RESID 246 (G): CA 44.590 44.590 45.038 -0.448 RESID 246 (G): H 8.424 8.424 8.445 -0.021 RESID 247 (G): N 108.500 108.500 108.650 -0.150 RESID 247 (G): C 176.800 176.800 174.977 1.823 RESID 247 (G): CA 47.500 47.500 44.344 3.156 RESID 247 (G): H 8.666 8.666 7.741 0.925 RESID 248 (E): N 123.700 123.700 121.174 2.526 RESID 248 (E): C 177.300 177.300 176.515 0.785 RESID 248 (E): CA 58.560 58.560 57.519 1.041 RESID 248 (E): CB 29.330 29.330 29.183 0.147 RESID 248 (E): H 9.265 9.265 8.816 0.449 RESID 249 (N): N 116.700 116.700 116.571 0.129 RESID 249 (N): C 175.500 175.500 176.018 -0.518 RESID 249 (N): CA 53.490 53.490 53.604 -0.114 RESID 249 (N): CB 39.390 39.390 38.794 0.596 RESID 249 (N): H 7.963 7.963 7.713 0.250 RESID 250 (L): N 121.100 121.100 119.937 1.163 RESID 250 (L): C 177.100 177.100 178.104 -1.004 RESID 250 (L): CA 58.810 58.810 57.053 1.757 RESID 250 (L): CB 42.220 42.220 41.465 0.755 RESID 250 (L): H 7.104 7.104 7.809 -0.705 RESID 251 (A): N 117.400 117.400 122.381 -4.981 RESID 251 (A): C 179.500 179.500 178.169 1.331 RESID 251 (A): CA 55.340 55.340 54.659 0.681 RESID 251 (A): CB 17.960 17.960 18.386 -0.426 RESID 251 (A): H 8.141 8.141 8.313 -0.172 RESID 252 (A): N 117.400 117.400 118.583 -1.183 RESID 252 (A): C 179.100 179.100 178.325 0.775 RESID 252 (A): CA 53.990 53.990 52.400 1.590 RESID 252 (A): CB 18.970 18.970 18.957 0.013 RESID 252 (A): H 7.375 7.375 8.411 -1.036 RESID 253 (G): N 100.600 100.600 107.900 -7.300 RESID 253 (G): C 172.700 172.700 174.793 -2.093 RESID 253 (G): CA 45.380 45.380 45.021 0.359 RESID 253 (G): H 7.589 7.589 7.545 0.044 RESID 254 (L): N 124.800 124.800 122.841 1.959 RESID 254 (L): C 175.300 175.300 177.584 -2.284 RESID 254 (L): CA 53.020 53.020 54.863 -1.843 RESID 254 (L): CB 39.090 39.090 42.106 -3.016 RESID 254 (L): H 7.202 7.202 7.796 -0.594 RESID 255 (N): N 113.800 113.800 121.502 -7.702 RESID 255 (N): C 176.600 176.600 176.247 0.353 RESID 255 (N): CA 53.420 53.420 54.008 -0.588 RESID 255 (N): CB 37.600 37.600 38.825 -1.225 RESID 255 (N): H 7.701 7.701 8.843 -1.142 RESID 256 (G): N 109.100 109.100 106.569 2.531 RESID 256 (G): C 172.200 172.200 174.562 -2.362 RESID 256 (G): CA 45.790 45.790 45.347 0.443 RESID 256 (G): H 7.856 7.856 8.555 -0.699 RESID 257 (E): N 120.100 120.100 118.251 1.849 RESID 257 (E): C 176.900 176.900 175.534 1.366 RESID 257 (E): CA 57.880 57.880 56.495 1.385 RESID 257 (E): CB 29.760 29.760 30.495 -0.735 RESID 257 (E): H 8.443 8.443 8.656 -0.213 RESID 258 (S): N 107.500 107.500 113.477 -5.977 RESID 258 (S): C 172.500 172.500 172.543 -0.043 RESID 258 (S): CA 58.010 58.010 59.029 -1.019 RESID 258 (S): CB 66.360 66.360 63.827 2.533 RESID 258 (S): H 7.176 7.176 7.948 -0.772 RESID 259 (L): N 124.900 124.900 127.672 -2.772 RESID 259 (L): C 173.900 173.900 176.422 -2.522 RESID 259 (L): CA 53.630 53.630 54.547 -0.917 RESID 259 (L): CB 46.240 46.240 42.519 3.721 RESID 259 (L): H 8.969 8.969 8.008 0.961 RESID 260 (F): N 123.700 123.700 123.012 0.688 RESID 260 (F): C 174.200 174.200 176.032 -1.832 RESID 260 (F): CA 56.460 56.460 54.949 1.511 RESID 260 (F): CB 41.560 41.560 40.465 1.095 RESID 260 (F): H 9.295 9.295 8.150 1.145 RESID 261 (L): N 123.900 123.900 120.191 3.709 RESID 261 (L): C 177.600 177.600 177.086 0.514 RESID 261 (L): CA 54.010 54.010 53.184 0.826 RESID 261 (L): CB 41.470 41.470 45.511 -4.041 RESID 261 (L): H 9.034 9.034 8.169 0.865 RESID 262 (F): N 123.800 123.800 122.306 1.494 RESID 262 (F): C 175.500 175.500 175.822 -0.322 RESID 262 (F): CA 58.850 58.850 56.993 1.857 RESID 262 (F): CB 39.930 39.930 38.480 1.450 RESID 262 (F): H 9.338 9.338 9.104 0.234 RESID 263 (A): N 121.900 121.900 124.109 -2.209 RESID 263 (A): C 175.300 175.300 177.023 -1.723 RESID 263 (A): CA 53.630 53.630 52.648 0.982 RESID 263 (A): CB 19.700 19.700 16.801 2.899 RESID 263 (A): H 8.902 8.902 8.263 0.639 RESID 264 (G): N 104.500 104.500 111.502 -7.002 RESID 264 (G): C 171.100 171.100 172.727 -1.627 RESID 264 (G): CA 45.540 45.540 45.062 0.478 RESID 264 (G): H 6.746 6.746 7.873 -1.127 RESID 265 (D): N 122.300 122.300 122.724 -0.424 RESID 265 (D): C 177.300 177.300 177.260 0.040 RESID 265 (D): CA 51.660 51.660 52.763 -1.103 RESID 265 (D): CB 42.840 42.840 42.271 0.569 RESID 265 (D): H 9.052 9.052 8.120 0.932 RESID 266 (Q): N 118.400 118.400 119.628 -1.228 RESID 266 (Q): C 177.600 177.600 177.459 0.141 RESID 266 (Q): CA 58.620 58.620 59.075 -0.456 RESID 266 (Q): CB 28.490 28.490 28.648 -0.158 RESID 266 (Q): H 8.277 8.277 8.605 -0.328 RESID 267 (K): N 117.700 117.700 118.793 -1.093 RESID 267 (K): C 180.400 180.400 178.095 2.305 RESID 267 (K): CA 59.390 59.390 59.561 -0.171 RESID 267 (K): CB 31.440 31.440 31.787 -0.347 RESID 267 (K): H 7.879 7.879 7.923 -0.044 RESID 268 (D): N 121.600 121.600 119.648 1.952 RESID 268 (D): C 177.400 177.400 178.340 -0.940 RESID 268 (D): CA 57.980 57.980 56.981 0.999 RESID 268 (D): CB 41.550 41.550 40.249 1.301 RESID 268 (D): H 7.640 7.640 8.126 -0.486 RESID 269 (A): N 121.700 121.700 121.491 0.209 RESID 269 (A): C 179.000 179.000 178.419 0.581 RESID 269 (A): CA 55.640 55.640 54.925 0.715 RESID 269 (A): CB 17.490 17.490 18.193 -0.703 RESID 269 (A): H 7.370 7.370 7.620 -0.250 RESID 270 (D): N 118.200 118.200 118.040 0.160 RESID 270 (D): C 179.300 179.300 176.508 2.792 RESID 270 (D): CA 57.570 57.570 56.298 1.272 RESID 270 (D): CB 39.860 39.860 40.239 -0.379 RESID 270 (D): H 8.735 8.735 7.966 0.769 RESID 271 (A): N 122.900 122.900 119.905 2.995 RESID 271 (A): C 180.800 180.800 179.318 1.482 RESID 271 (A): CA 55.040 55.040 53.559 1.481 RESID 271 (A): CB 18.300 18.300 19.309 -1.010 RESID 271 (A): H 7.579 7.579 7.021 0.558 RESID 272 (I): N 0.000 0.000 120.471 -120.471 RESID 272 (I): C 178.300 178.300 176.958 1.342 RESID 272 (I): CA 63.880 63.880 64.655 -0.775 RESID 272 (I): CB 35.710 35.710 38.127 -2.417 RESID 272 (I): H 7.340 7.340 8.403 -1.063 RESID 273 (Y): N 116.300 116.300 116.980 -0.680 RESID 273 (Y): C 177.000 177.000 176.777 0.223 RESID 273 (Y): CA 61.100 61.100 58.288 2.812 RESID 273 (Y): CB 37.770 37.770 35.833 1.937 RESID 273 (Y): H 7.509 7.509 7.296 0.213 RESID 274 (A): N 118.600 118.600 121.846 -3.246 RESID 274 (A): C 177.200 177.200 177.185 0.015 RESID 274 (A): CA 52.030 52.030 53.005 -0.975 RESID 274 (A): CB 19.580 19.580 19.413 0.167 RESID 274 (A): H 7.495 7.495 7.826 -0.331 RESID 275 (N): N 119.900 119.900 118.233 1.667 RESID 275 (N): C 175.700 175.700 174.009 1.691 RESID 275 (N): CA 51.030 51.030 51.380 -0.350 RESID 275 (N): CB 38.590 38.590 37.027 1.563 RESID 275 (N): H 7.200 7.200 7.958 -0.758 RESID 276 (P): C 178.900 178.900 178.490 0.410 RESID 276 (P): CA 65.190 65.190 65.451 -0.261 RESID 276 (P): CB 32.440 32.440 32.042 0.398 RESID 277 (L): N 116.700 116.700 117.431 -0.731 RESID 277 (L): C 178.000 178.000 178.892 -0.892 RESID 277 (L): CA 56.630 56.630 57.550 -0.920 RESID 277 (L): CB 41.720 41.720 41.501 0.219 RESID 277 (L): H 7.777 7.777 7.926 -0.149 RESID 278 (L): N 115.100 115.100 116.585 -1.485 RESID 278 (L): C 176.600 176.600 177.872 -1.272 RESID 278 (L): CA 53.200 53.200 54.942 -1.742 RESID 278 (L): CB 40.960 40.960 41.313 -0.353 RESID 278 (L): H 7.485 7.485 7.680 -0.195 RESID 279 (A): N 118.600 118.600 123.088 -4.488 RESID 279 (A): C 177.700 177.700 177.804 -0.104 RESID 279 (A): CA 55.090 55.090 54.366 0.724 RESID 279 (A): CB 19.710 19.710 18.600 1.110 RESID 279 (A): H 6.665 6.665 7.901 -1.236 RESID 280 (H): N 111.600 111.600 115.287 -3.687 RESID 280 (H): C 175.500 175.500 175.209 0.291 RESID 280 (H): CA 55.360 55.360 56.257 -0.897 RESID 280 (H): CB 29.540 29.540 28.645 0.895 RESID 280 (H): H 8.337 8.337 8.190 0.147 RESID 281 (L): N 124.100 124.100 122.528 1.572 RESID 281 (L): C 176.300 176.300 175.873 0.427 RESID 281 (L): CA 53.330 53.330 52.956 0.374 RESID 281 (L): CB 40.490 40.490 41.931 -1.441 RESID 281 (L): H 7.289 7.289 7.444 -0.155 RESID 282 (P): C 178.200 178.200 178.386 -0.186 RESID 282 (P): CA 66.050 66.050 65.700 0.350 RESID 282 (P): CB 32.150 32.150 31.713 0.437 RESID 283 (A): N 116.000 116.000 119.178 -3.178 RESID 283 (A): C 179.000 179.000 179.856 -0.856 RESID 283 (A): CA 55.630 55.630 55.192 0.438 RESID 283 (A): CB 19.490 19.490 18.185 1.305 RESID 283 (A): H 7.969 7.969 8.425 -0.456 RESID 284 (V): N 115.200 115.200 118.491 -3.291 RESID 284 (V): C 180.000 180.000 178.926 1.074 RESID 284 (V): CA 65.640 65.640 65.881 -0.241 RESID 284 (V): CB 32.560 32.560 30.816 1.744 RESID 284 (V): H 6.557 6.557 7.677 -1.120 RESID 285 (Q): N 121.200 121.200 120.431 0.769 RESID 285 (Q): C 178.000 178.000 177.656 0.344 RESID 285 (Q): CA 59.500 59.500 58.796 0.704 RESID 285 (Q): CB 29.080 29.080 28.607 0.473 RESID 285 (Q): H 8.581 8.581 7.810 0.771 RESID 286 (N): N 112.600 112.600 113.986 -1.386 RESID 286 (N): C 174.500 174.500 173.856 0.644 RESID 286 (N): CA 53.160 53.160 52.726 0.434 RESID 286 (N): CB 38.390 38.390 38.745 -0.355 RESID 286 (N): H 8.117 8.117 8.046 0.071 RESID 287 (K): N 118.500 118.500 115.932 2.568 RESID 287 (K): C 176.100 176.100 176.217 -0.117 RESID 287 (K): CA 57.540 57.540 57.307 0.233 RESID 287 (K): CB 28.570 28.570 29.540 -0.970 RESID 287 (K): H 7.724 7.724 7.691 0.033 RESID 288 (Q): N 119.700 119.700 117.143 2.557 RESID 288 (Q): C 173.700 173.700 174.073 -0.373 RESID 288 (Q): CA 52.970 52.970 54.829 -1.859 RESID 288 (Q): CB 28.640 28.640 29.005 -0.365 RESID 288 (Q): H 8.895 8.895 8.419 0.476 RESID 289 (V): N 119.200 119.200 118.576 0.624 RESID 289 (V): C 175.100 175.100 175.009 0.091 RESID 289 (V): CA 61.600 61.600 61.056 0.544 RESID 289 (V): CB 32.610 32.610 33.821 -1.211 RESID 289 (V): H 6.246 6.246 6.908 -0.662 RESID 290 (Y): N 125.700 125.700 124.042 1.658 RESID 290 (Y): C 174.100 174.100 174.469 -0.369 RESID 290 (Y): CA 56.830 56.830 56.376 0.454 RESID 290 (Y): CB 40.950 40.950 42.786 -1.836 RESID 290 (Y): H 8.682 8.682 9.000 -0.318 RESID 291 (A): N 126.900 126.900 122.061 4.839 RESID 291 (A): C 178.300 178.300 176.740 1.560 RESID 291 (A): CA 51.560 51.560 50.394 1.166 RESID 291 (A): CB 19.670 19.670 21.237 -1.567 RESID 291 (A): H 9.057 9.057 8.655 0.402 RESID 292 (L): N 120.800 120.800 119.865 0.935 RESID 292 (L): C 175.500 175.500 176.234 -0.734 RESID 292 (L): CA 54.880 54.880 54.259 0.621 RESID 292 (L): CB 42.490 42.490 42.273 0.217 RESID 292 (L): H 8.342 8.342 8.925 -0.583 RESID 293 (G): N 107.500 107.500 103.806 3.694 RESID 293 (G): C 177.600 177.600 174.084 3.516 RESID 293 (G): CA 45.110 45.110 44.429 0.681 RESID 293 (G): H 7.973 7.973 7.378 0.595 RESID 294 (T): N 117.800 117.800 116.749 1.051 RESID 294 (T): C 176.400 176.400 176.023 0.377 RESID 294 (T): CA 65.260 65.260 65.210 0.050 RESID 294 (T): CB 68.310 68.310 69.165 -0.855 RESID 294 (T): H 8.808 8.808 8.569 0.239 RESID 295 (E): N 122.100 122.100 119.931 2.169 RESID 295 (E): C 177.700 177.700 176.595 1.105 RESID 295 (E): CA 58.540 58.540 58.324 0.216 RESID 295 (E): CB 29.010 29.010 28.775 0.235 RESID 295 (E): H 10.380 10.380 8.845 1.535 RESID 296 (T): N 103.000 103.000 108.613 -5.613 RESID 296 (T): C 173.600 173.600 174.327 -0.727 RESID 296 (T): CA 62.320 62.320 61.253 1.067 RESID 296 (T): CB 69.170 69.170 67.792 1.378 RESID 296 (T): H 7.062 7.062 7.912 -0.850 RESID 297 (F): N 121.500 121.500 122.991 -1.491 RESID 297 (F): C 174.500 174.500 175.869 -1.369 RESID 297 (F): CA 61.700 61.700 61.048 0.652 RESID 297 (F): CB 39.640 39.640 39.772 -0.132 RESID 297 (F): H 8.108 8.108 7.689 0.419 RESID 298 (R): N 116.800 116.800 119.822 -3.022 RESID 298 (R): C 176.000 176.000 175.115 0.885 RESID 298 (R): CA 54.160 54.160 55.821 -1.661 RESID 298 (R): CB 32.460 32.460 31.096 1.364 RESID 298 (R): H 7.552 7.552 8.278 -0.726 RESID 299 (L): N 125.500 125.500 126.355 -0.855 RESID 299 (L): C 174.800 174.800 174.670 0.130 RESID 299 (L): CA 54.300 54.300 53.931 0.369 RESID 299 (L): CB 41.670 41.670 44.022 -2.352 RESID 299 (L): H 8.903 8.903 8.429 0.474 RESID 300 (D): N 124.600 124.600 124.257 0.343 RESID 300 (D): C 173.400 173.400 175.574 -2.174 RESID 300 (D): CA 51.880 51.880 53.267 -1.387 RESID 300 (D): CB 43.230 43.230 42.408 0.822 RESID 300 (D): H 7.735 7.735 8.764 -1.029 RESID 301 (Y): N 118.100 118.100 121.475 -3.375 RESID 301 (Y): C 175.300 175.300 176.202 -0.902 RESID 301 (Y): CA 61.650 61.650 63.300 -1.650 RESID 301 (Y): CB 38.740 38.740 38.709 0.031 RESID 301 (Y): H 7.943 7.943 9.002 -1.059 RESID 302 (Y): N 112.300 112.300 115.582 -3.282 RESID 302 (Y): C 180.800 180.800 177.656 3.144 RESID 302 (Y): CA 61.970 61.970 60.973 0.997 RESID 302 (Y): CB 37.990 37.990 38.004 -0.014 RESID 302 (Y): H 7.309 7.309 8.120 -0.811 RESID 303 (S): N 119.100 119.100 115.622 3.478 RESID 303 (S): C 176.300 176.300 176.505 -0.205 RESID 303 (S): CA 60.690 60.690 61.515 -0.825 RESID 303 (S): CB 63.180 63.180 62.681 0.499 RESID 303 (S): H 9.411 9.411 9.451 -0.040 RESID 304 (A): N 126.900 126.900 124.956 1.944 RESID 304 (A): C 180.400 180.400 179.370 1.030 RESID 304 (A): CA 56.000 56.000 55.290 0.710 RESID 304 (A): CB 18.040 18.040 17.835 0.205 RESID 304 (A): H 8.860 8.860 7.933 0.927 RESID 305 (M): N 116.600 116.600 118.005 -1.405 RESID 305 (M): C 179.300 179.300 178.823 0.477 RESID 305 (M): CA 57.880 57.880 59.543 -1.663 RESID 305 (M): CB 31.350 31.350 32.140 -0.790 RESID 305 (M): H 7.346 7.346 7.595 -0.249 RESID 306 (Q): N 119.300 119.300 118.813 0.487 RESID 306 (Q): C 179.000 179.000 178.840 0.160 RESID 306 (Q): CA 59.410 59.410 58.885 0.525 RESID 306 (Q): CB 28.450 28.450 28.825 -0.375 RESID 306 (Q): H 7.633 7.633 7.773 -0.140 RESID 308 (L): C 178.700 178.700 178.489 0.211 RESID 308 (L): CA 58.690 58.690 58.429 0.261 RESID 308 (L): CB 41.790 41.790 41.384 0.406 RESID 309 (D): N 119.100 119.100 119.060 0.040 RESID 309 (D): C 179.600 179.600 178.886 0.714 RESID 309 (D): CA 57.830 57.830 57.547 0.283 RESID 309 (D): CB 40.820 40.820 40.331 0.489 RESID 309 (D): H 7.984 7.984 8.027 -0.043 RESID 310 (R): N 121.700 121.700 120.613 1.087 RESID 310 (R): C 178.900 178.900 178.728 0.172 RESID 310 (R): CA 58.590 58.590 59.193 -0.603 RESID 310 (R): CB 29.820 29.820 30.151 -0.331 RESID 310 (R): H 8.463 8.463 7.599 0.864 RESID 311 (L): N 119.200 119.200 119.913 -0.713 RESID 311 (L): C 178.800 178.800 178.723 0.077 RESID 311 (L): CA 58.380 58.380 58.114 0.266 RESID 311 (L): CB 42.340 42.340 41.842 0.498 RESID 311 (L): H 8.489 8.489 8.334 0.155 RESID 312 (K): N 116.500 116.500 118.735 -2.235 RESID 312 (K): C 178.000 178.000 178.404 -0.404 RESID 312 (K): CA 59.250 59.250 59.176 0.074 RESID 312 (K): CB 32.440 32.440 32.492 -0.053 RESID 312 (K): H 7.955 7.955 8.183 -0.228 RESID 313 (A): N 119.500 119.500 120.744 -1.244 RESID 313 (A): C 180.000 180.000 178.681 1.319 RESID 313 (A): CA 53.920 53.920 53.294 0.626 RESID 313 (A): CB 18.800 18.800 19.246 -0.446 RESID 313 (A): H 7.427 7.427 7.745 -0.318 RESID 314 (L): N 119.500 119.500 119.165 0.335 RESID 314 (L): C 177.400 177.400 176.455 0.945 RESID 314 (L): CA 56.770 56.770 57.234 -0.464 RESID 314 (L): CB 43.730 43.730 42.355 1.375 RESID 314 (L): H 7.431 7.431 8.130 -0.699 N HA C CA CB H RESID 26 (W): -3.469 ----- -0.863 0.426 3.291 0.082 RESID 27 (P): ----- ----- -0.007 -0.305 4.940 ----- RESID 28 (R): -3.846 ----- -1.395 0.738 0.752 0.063 RESID 29 (Q): -0.826 ----- 0.591 -1.247 1.442 -0.078 RESID 30 (I): -1.805 ----- 0.575 -0.920 -0.483 1.086 RESID 31 (T): 3.218 ----- 0.727 -1.312 1.052 0.588 RESID 32 (D): 5.651 ----- 1.435 0.811 -0.495 1.407 RESID 33 (S): -4.421 ----- -0.579 0.430 -0.386 -0.215 RESID 34 (R): -2.392 ----- -0.631 -3.657 0.171 0.471 RESID 35 (G): 5.177 ----- -2.252 -0.502 ----- -0.758 RESID 36 (T): 0.127 ----- 0.787 0.021 -0.084 0.583 RESID 37 (H): 0.479 ----- 0.722 -1.281 -2.010 0.360 RESID 38 (T): 4.394 ----- 1.387 2.121 -1.243 1.599 RESID 39 (L): 7.236 ----- 0.099 0.515 -0.930 0.449 RESID 40 (E): -1.555 ----- -0.321 0.281 0.486 0.137 RESID 41 (S): -1.854 ----- -1.495 -0.892 0.607 -0.158 RESID 42 (Q): 3.312 ----- -0.150 -2.033 0.554 -1.270 RESID 43 (P): ----- ----- -0.326 0.770 0.098 ----- RESID 44 (Q): 2.559 ----- -0.598 -1.518 2.853 2.616 RESID 45 (R): 8.306 ----- 0.494 0.096 -0.043 2.467 RESID 47 (V): ----- ----- 0.340 -0.273 -0.139 ----- RESID 48 (S): -1.899 ----- 1.897 -1.863 -1.103 -0.639 RESID 49 (T): 4.226 ----- -2.904 0.967 -0.375 -0.357 RESID 50 (S): -0.902 ----- -0.598 -2.518 -0.085 -0.076 RESID 51 (V): 5.083 ----- -2.775 -0.286 -0.193 0.159 RESID 52 (T): 0.182 ----- 3.213 0.808 0.258 -0.098 RESID 53 (L): 1.148 ----- 0.443 -0.698 0.822 -0.497 RESID 54 (T): 1.771 ----- -1.732 -0.675 ----- -0.095 RESID 55 (G): -3.696 ----- -0.183 0.300 ----- -1.281 RESID 56 (S): -0.781 ----- -1.162 1.941 1.968 -1.244 RESID 58 (L): ----- ----- 1.770 -0.269 -0.119 ----- RESID 59 (A): -0.806 ----- -0.282 0.730 -0.305 -0.333 RESID 60 (I): ----- ----- -1.545 0.171 0.443 ----- RESID 61 (D): -2.500 ----- 0.238 0.039 -0.049 -0.015 RESID 62 (A): -3.269 ----- 2.703 -0.826 -1.664 0.109 RESID 63 (P): ----- ----- -2.105 0.630 -4.709 ----- RESID 64 (V): 3.637 ----- -0.911 -1.471 -0.747 0.437 RESID 65 (I): -4.446 ----- 1.531 -3.028 1.272 0.252 RESID 66 (A): 4.249 ----- -0.099 0.648 1.517 -0.422 RESID 67 (S): -5.155 ----- 2.369 -1.909 -2.365 0.219 RESID 68 (G): 5.500 ----- -1.630 2.030 ----- -1.042 RESID 69 (A): -3.701 ----- 2.727 -1.150 2.058 -0.821 RESID 70 (T): 5.709 ----- -2.709 -3.122 1.067 1.096 RESID 71 (T): -5.244 ----- -0.414 0.049 1.547 -0.791 RESID 72 (P): ----- ----- 0.980 -0.176 0.723 ----- RESID 73 (N): -4.576 ----- -1.626 0.745 -1.458 -0.699 RESID 74 (N): ----- ----- -1.203 4.983 0.352 ----- RESID 75 (R): -6.341 ----- -0.158 1.071 1.071 -0.286 RESID 76 (V): -10.207 ----- 0.051 -2.934 2.033 -0.825 RESID 77 (A): 5.827 ----- -1.051 -1.023 5.130 0.715 RESID 78 (D): 1.808 ----- 2.214 -0.934 0.362 0.432 RESID 79 (D): 0.850 ----- 0.278 1.069 0.866 -0.165 RESID 80 (Q): -4.353 ----- -1.183 -1.519 2.391 -0.175 RESID 81 (G): -0.001 ----- 0.845 0.949 ----- -0.649 RESID 82 (F): 0.597 ----- -0.446 -4.273 -2.626 0.289 RESID 83 (L): ----- ----- 0.962 0.337 -3.490 ----- RESID 84 (R): 0.341 ----- 0.777 3.510 1.651 -0.685 RESID 85 (Q): -2.599 ----- -2.666 0.203 -3.184 1.865 RESID 86 (W): -6.486 ----- -1.767 -5.080 -2.078 -1.949 RESID 87 (S): 3.713 ----- 1.456 0.633 ----- -1.266 RESID 88 (K): -3.940 ----- 0.177 0.477 -0.089 0.977 RESID 89 (V): 6.372 ----- 0.818 0.089 0.498 -0.682 RESID 90 (A): -0.392 ----- 1.098 1.389 1.428 0.686 RESID 91 (K): -0.418 ----- 3.032 1.009 -0.004 -0.249 RESID 92 (E): 5.049 ----- 1.512 2.284 -0.656 0.488 RESID 93 (R): -3.137 ----- 0.318 0.788 -1.526 -0.266 RESID 94 (K): 1.793 ----- 0.666 -0.673 -1.439 -0.717 RESID 95 (L): -1.090 ----- 0.293 0.734 1.021 0.065 RESID 96 (Q): 0.427 ----- -0.955 0.636 0.326 -0.878 RESID 97 (R): 6.442 ----- 0.589 -1.027 1.628 0.501 RESID 98 (L): 3.501 ----- -0.399 2.439 3.324 -0.404 RESID 99 (Y): -1.960 ----- -1.388 -0.848 -0.990 -1.355 RESID 100 (I): -6.199 ----- -0.343 -1.834 3.564 0.090 RESID 101 (G): 0.884 ----- -0.705 2.206 ----- -0.246 RESID 102 (E): 10.907 ----- -0.771 0.487 2.037 0.290 RESID 103 (P): ----- ----- -0.828 -1.371 -0.088 ----- RESID 104 (S): -5.216 ----- 0.150 -3.147 -0.050 -2.560 RESID 105 (A): 0.228 ----- 0.341 0.744 -0.904 0.334 RESID 106 (E): 0.378 ----- 0.443 1.246 -0.474 0.144 RESID 107 (A): -0.492 ----- 0.269 -0.339 0.770 -0.138 RESID 108 (V): -2.254 ----- -0.808 1.172 0.108 -0.474 RESID 109 (A): -1.644 ----- 1.868 0.545 -0.105 0.133 RESID 110 (A): -0.744 ----- 0.267 -0.243 -0.030 -0.327 RESID 111 (Q): -1.090 ----- -1.050 0.917 -0.151 -0.286 RESID 112 (M): -6.180 ----- 0.067 0.352 -1.447 -0.060 RESID 113 (P): ----- ----- 0.462 0.241 0.389 ----- RESID 114 (D): -2.191 ----- -0.074 -2.099 -1.838 0.619 RESID 115 (L): ----- ----- 0.612 -1.395 ----- ----- RESID 116 (I): -2.814 ----- ----- -0.083 ----- 1.339 RESID 118 (I): ----- ----- -0.974 0.430 1.016 ----- RESID 119 (S): 0.382 ----- 0.595 -0.591 0.662 1.038 RESID 120 (A): 1.567 ----- -0.490 -0.049 1.530 -0.517 RESID 121 (T): -4.152 ----- -0.088 -2.469 1.596 -0.219 RESID 122 (G): -6.481 ----- 3.071 -0.770 ----- 0.163 RESID 123 (G): ----- ----- -0.212 1.037 ----- ----- RESID 124 (D): -2.407 ----- 0.976 -0.573 0.057 0.826 RESID 125 (S): -4.120 ----- 1.660 0.059 0.136 -1.103 RESID 126 (A): 4.782 ----- -1.953 -2.348 -2.239 0.252 RESID 127 (L): -0.026 ----- 0.537 1.477 1.236 -0.798 RESID 128 (A): 3.391 ----- 0.732 0.810 -0.493 1.290 RESID 129 (L): 0.574 ----- -0.888 -1.271 -0.375 0.359 RESID 130 (Y): -0.891 ----- 0.303 1.527 1.055 -1.094 RESID 131 (D): 1.172 ----- -0.095 0.618 0.298 0.915 RESID 132 (Q): -1.001 ----- 0.278 0.188 0.581 -0.142 RESID 133 (L): -0.346 ----- -0.720 0.306 -0.804 -0.467 RESID 134 (S): -3.202 ----- -0.504 0.322 0.802 -0.329 RESID 135 (T): -5.231 ----- -1.185 -2.039 0.657 -0.641 RESID 136 (I): 3.955 ----- 0.244 -0.059 0.347 0.416 RESID 137 (A): 1.960 ----- -1.618 -0.140 -0.140 -0.475 RESID 138 (P): ----- ----- -1.521 1.210 0.036 ----- RESID 139 (T): 1.944 ----- -0.098 -1.580 1.870 -0.175 RESID 140 (L): ----- ----- 0.596 -0.799 0.740 ----- RESID 141 (I): -2.496 ----- 1.122 -1.029 1.138 1.429 RESID 142 (I): 1.910 ----- 0.205 -1.934 -2.304 0.181 RESID 143 (N): 4.874 ----- 0.465 -1.912 0.097 0.718 RESID 144 (Y): -6.030 ----- 1.713 -3.689 -0.148 0.079 RESID 145 (D): 0.737 ----- 1.770 -0.209 3.343 0.439 RESID 146 (D): 4.143 ----- -0.074 -0.389 -1.688 -1.046 RESID 147 (K): -5.754 ----- -0.276 -1.548 -1.763 -0.550 RESID 148 (S): -0.498 ----- -0.366 -0.050 0.696 0.225 RESID 149 (W): 1.827 ----- 2.059 1.343 -0.741 -0.108 RESID 150 (Q): 3.140 ----- 0.303 3.374 -1.207 1.612 RESID 151 (S): 1.134 ----- 0.586 0.516 0.588 0.026 RESID 152 (L): 2.442 ----- 0.560 0.380 0.287 0.080 RESID 153 (L): 0.573 ----- 1.033 1.424 -0.098 0.930 RESID 154 (T): 3.485 ----- 0.307 1.300 0.530 0.141 RESID 155 (Q): 3.482 ----- 1.179 1.362 0.257 0.302 RESID 156 (L): ----- ----- 1.632 0.623 -0.132 ----- RESID 157 (G): 5.795 ----- -0.552 1.796 ----- 1.193 RESID 158 (E): 4.807 ----- 0.622 1.238 0.305 0.017 RESID 160 (T): ----- ----- 2.293 -1.164 2.627 ----- RESID 161 (G): -0.330 ----- 0.422 1.251 ----- -0.883 RESID 162 (H): 4.835 ----- -2.183 -0.504 -2.968 0.670 RESID 163 (E): 1.758 ----- 2.322 1.401 -0.423 1.526 RESID 164 (K): 0.239 ----- -0.091 -0.457 0.307 0.399 RESID 165 (Q): 2.167 ----- 0.663 2.021 -0.263 -0.481 RESID 166 (A): -1.321 ----- -1.428 1.316 0.225 -0.197 RESID 167 (A): -3.029 ----- 1.881 -0.151 -0.310 -1.105 RESID 168 (E): 1.512 ----- 0.470 -0.002 0.454 0.315 RESID 170 (I): ----- ----- 0.011 1.590 1.355 ----- RESID 171 (A): -2.512 ----- 1.367 -0.350 0.151 -0.778 RESID 172 (Q): 2.566 ----- 0.618 0.697 -0.254 0.631 RESID 173 (F): -0.097 ----- -1.007 1.607 0.364 -0.286 RESID 174 (D): 0.884 ----- 1.420 0.548 -0.090 -0.265 RESID 175 (K): 1.075 ----- 1.164 -0.013 0.312 -0.080 RESID 176 (Q): 2.092 ----- 0.768 -0.477 -0.535 0.341 RESID 177 (L): 6.005 ----- -0.271 2.662 -0.162 1.201 RESID 178 (A): -1.076 ----- 1.376 0.193 0.092 -0.551 RESID 179 (A): -0.805 ----- 0.717 0.336 -0.404 0.049 RESID 180 (A): 0.005 ----- 0.096 0.750 -0.274 0.181 RESID 181 (K): 0.138 ----- -0.112 0.631 0.702 0.022 RESID 182 (E): -2.149 ----- -0.130 0.737 1.088 -0.571 RESID 183 (Q): -0.686 ----- 1.024 0.236 0.414 -0.185 RESID 184 (I): 1.938 ----- 0.960 3.259 0.337 0.289 RESID 185 (K): 4.790 ----- -0.026 -0.575 -2.917 0.832 RESID 186 (L): -1.045 ----- -0.211 2.357 0.383 -0.427 RESID 188 (P): ----- ----- -1.452 1.466 0.996 ----- RESID 189 (Q): 0.351 ----- 1.857 -2.382 0.913 -0.159 RESID 190 (P): ----- ----- -0.093 0.344 2.643 ----- RESID 191 (V): -9.056 ----- 0.331 0.219 0.336 0.699 RESID 192 (T): 7.318 ----- 0.205 3.503 0.292 0.142 RESID 193 (A): 9.896 ----- -0.010 -0.544 -0.299 1.613 RESID 194 (I): -2.060 ----- 2.906 -0.471 1.811 0.743 RESID 195 (V): -4.243 ----- 2.133 1.813 0.134 -0.157 RESID 196 (Y): 2.741 ----- 0.555 -0.419 1.059 1.010 RESID 197 (T): 1.483 ----- 0.932 0.104 -3.030 0.434 RESID 198 (A): -0.345 ----- 1.231 1.181 0.090 -0.322 RESID 199 (A): -4.756 ----- -1.031 -0.497 0.380 0.303 RESID 200 (A): -3.832 ----- -0.646 -0.806 1.318 -1.456 RESID 201 (H): 0.439 ----- -0.497 0.385 -0.424 -0.193 RESID 202 (S): -3.947 ----- 0.034 -1.068 -0.152 -0.695 RESID 203 (A): -2.993 ----- -0.384 -0.531 2.304 0.316 RESID 204 (N): 0.057 ----- -0.156 -0.553 -2.096 0.113 RESID 205 (L): 5.490 ----- 0.128 0.856 1.524 1.652 RESID 206 (W): 1.649 ----- 0.650 -0.744 -1.136 0.640 RESID 207 (T): 1.786 ----- 2.816 0.877 -1.851 -0.109 RESID 208 (P): ----- ----- -0.854 0.716 -0.213 ----- RESID 209 (E): -2.741 ----- 0.293 0.074 -0.385 -0.351 RESID 210 (S): 0.719 ----- -1.628 -1.082 2.847 0.221 RESID 211 (A): -2.110 ----- 0.750 0.107 -0.233 -0.150 RESID 212 (Q): 0.576 ----- -0.914 2.448 -0.333 0.014 RESID 213 (G): -0.159 ----- -0.915 0.692 ----- -0.245 RESID 214 (Q): -0.765 ----- 0.616 0.292 0.422 0.437 RESID 215 (M): -1.422 ----- -0.379 0.111 -0.798 -0.287 RESID 216 (L): -2.992 ----- 0.867 0.507 -1.446 -0.457 RESID 217 (E): 1.356 ----- 2.967 1.287 -0.267 0.216 RESID 218 (Q): 5.193 ----- -0.790 0.954 -0.274 0.549 RESID 219 (L): 0.550 ----- -2.236 -1.389 1.453 -0.335 RESID 220 (G): 1.925 ----- 1.772 0.068 ----- -0.382 RESID 221 (F): 0.171 ----- 0.856 1.943 -3.848 0.229 RESID 222 (T): 1.619 ----- 0.523 0.578 1.564 0.399 RESID 223 (L): 1.208 ----- 1.666 1.355 -1.144 1.059 RESID 224 (A): -1.297 ----- 1.540 1.471 -2.183 0.969 RESID 225 (K): 2.243 ----- 0.611 0.025 0.170 0.238 RESID 226 (L): -1.808 ----- -0.108 -0.523 0.478 0.112 RESID 227 (P): ----- ----- -0.275 -0.030 0.175 ----- RESID 228 (A): 0.060 ----- 1.001 0.701 0.005 -0.101 RESID 229 (G): 0.189 ----- -0.987 0.605 ----- 0.462 RESID 230 (L): -1.187 ----- -1.477 0.072 0.962 -0.413 RESID 231 (N): -0.426 ----- -0.628 -2.490 0.945 0.194 RESID 232 (A): 4.945 ----- 0.030 1.371 1.310 0.150 RESID 233 (S): -0.021 ----- -0.476 -1.706 0.943 -0.258 RESID 234 (Q): 1.498 ----- 0.729 0.180 -1.337 0.460 RESID 235 (S): -1.017 ----- 0.241 0.009 1.628 -0.210 RESID 236 (Q): -4.835 ----- 1.256 1.115 1.648 -0.479 RESID 237 (G): 1.368 ----- 1.137 0.248 ----- 0.802 RESID 238 (K): -0.956 ----- 1.116 0.464 0.557 -0.388 RESID 239 (R): -4.098 ----- ----- 0.186 0.651 -0.344 RESID 240 (H): ----- ----- -1.718 -2.907 -0.312 ----- RESID 241 (D): 0.569 ----- -1.572 -0.485 -0.668 0.662 RESID 242 (I): 0.173 ----- 1.210 -0.320 2.750 -0.325 RESID 243 (I): -1.084 ----- 1.033 -0.290 2.879 0.233 RESID 244 (Q): 0.857 ----- 1.047 1.533 0.015 0.166 RESID 245 (L): 2.012 ----- -0.416 0.686 0.244 0.295 RESID 246 (G): 4.632 ----- -0.124 -0.448 ----- -0.021 RESID 247 (G): -0.150 ----- 1.823 3.156 ----- 0.925 RESID 248 (E): 2.526 ----- 0.785 1.041 0.147 0.449 RESID 249 (N): 0.129 ----- -0.518 -0.114 0.596 0.250 RESID 250 (L): 1.163 ----- -1.004 1.757 0.755 -0.705 RESID 251 (A): -4.981 ----- 1.331 0.681 -0.426 -0.172 RESID 252 (A): -1.183 ----- 0.775 1.590 0.013 -1.036 RESID 253 (G): -7.300 ----- -2.093 0.359 ----- 0.044 RESID 254 (L): 1.959 ----- -2.284 -1.843 -3.016 -0.594 RESID 255 (N): -7.702 ----- 0.353 -0.588 -1.225 -1.142 RESID 256 (G): 2.531 ----- -2.362 0.443 ----- -0.699 RESID 257 (E): 1.849 ----- 1.366 1.385 -0.735 -0.213 RESID 258 (S): -5.977 ----- -0.043 -1.019 2.533 -0.772 RESID 259 (L): -2.772 ----- -2.522 -0.917 3.721 0.961 RESID 260 (F): 0.688 ----- -1.832 1.511 1.095 1.145 RESID 261 (L): 3.709 ----- 0.514 0.826 -4.041 0.865 RESID 262 (F): 1.494 ----- -0.322 1.857 1.450 0.234 RESID 263 (A): -2.209 ----- -1.723 0.982 2.899 0.639 RESID 264 (G): -7.002 ----- -1.627 0.478 ----- -1.127 RESID 265 (D): -0.424 ----- 0.040 -1.103 0.569 0.932 RESID 266 (Q): -1.228 ----- 0.141 -0.456 -0.158 -0.328 RESID 267 (K): -1.093 ----- 2.305 -0.171 -0.347 -0.044 RESID 268 (D): 1.952 ----- -0.940 0.999 1.301 -0.486 RESID 269 (A): 0.209 ----- 0.581 0.715 -0.703 -0.250 RESID 270 (D): 0.160 ----- 2.792 1.272 -0.379 0.769 RESID 271 (A): 2.995 ----- 1.482 1.481 -1.010 0.558 RESID 272 (I): -120.471 ----- 1.342 -0.775 -2.417 -1.063 RESID 273 (Y): -0.680 ----- 0.223 2.812 1.937 0.213 RESID 274 (A): -3.246 ----- 0.015 -0.975 0.167 -0.331 RESID 275 (N): 1.667 ----- 1.691 -0.350 1.563 -0.758 RESID 276 (P): ----- ----- 0.410 -0.261 0.398 ----- RESID 277 (L): -0.731 ----- -0.892 -0.920 0.219 -0.149 RESID 278 (L): -1.485 ----- -1.272 -1.742 -0.353 -0.195 RESID 279 (A): -4.488 ----- -0.104 0.724 1.110 -1.236 RESID 280 (H): -3.687 ----- 0.291 -0.897 0.895 0.147 RESID 281 (L): 1.572 ----- 0.427 0.374 -1.441 -0.155 RESID 282 (P): ----- ----- -0.186 0.350 0.437 ----- RESID 283 (A): -3.178 ----- -0.856 0.438 1.305 -0.456 RESID 284 (V): -3.291 ----- 1.074 -0.241 1.744 -1.120 RESID 285 (Q): 0.769 ----- 0.344 0.704 0.473 0.771 RESID 286 (N): -1.386 ----- 0.644 0.434 -0.355 0.071 RESID 287 (K): 2.568 ----- -0.117 0.233 -0.970 0.033 RESID 288 (Q): 2.557 ----- -0.373 -1.859 -0.365 0.476 RESID 289 (V): 0.624 ----- 0.091 0.544 -1.211 -0.662 RESID 290 (Y): 1.658 ----- -0.369 0.454 -1.836 -0.318 RESID 291 (A): 4.839 ----- 1.560 1.166 -1.567 0.402 RESID 292 (L): 0.935 ----- -0.734 0.621 0.217 -0.583 RESID 293 (G): 3.694 ----- 3.516 0.681 ----- 0.595 RESID 294 (T): 1.051 ----- 0.377 0.050 -0.855 0.239 RESID 295 (E): 2.169 ----- 1.105 0.216 0.235 1.535 RESID 296 (T): -5.613 ----- -0.727 1.067 1.378 -0.850 RESID 297 (F): -1.491 ----- -1.369 0.652 -0.132 0.419 RESID 298 (R): -3.022 ----- 0.885 -1.661 1.364 -0.726 RESID 299 (L): -0.855 ----- 0.130 0.369 -2.352 0.474 RESID 300 (D): 0.343 ----- -2.174 -1.387 0.822 -1.029 RESID 301 (Y): -3.375 ----- -0.902 -1.650 0.031 -1.059 RESID 302 (Y): -3.282 ----- 3.144 0.997 -0.014 -0.811 RESID 303 (S): 3.478 ----- -0.205 -0.825 0.499 -0.040 RESID 304 (A): 1.944 ----- 1.030 0.710 0.205 0.927 RESID 305 (M): -1.405 ----- 0.477 -1.663 -0.790 -0.249 RESID 306 (Q): 0.487 ----- 0.160 0.525 -0.375 -0.140 RESID 308 (L): ----- ----- 0.211 0.261 0.406 ----- RESID 309 (D): 0.040 ----- 0.714 0.283 0.489 -0.043 RESID 310 (R): 1.087 ----- 0.172 -0.603 -0.331 0.864 RESID 311 (L): -0.713 ----- 0.077 0.266 0.498 0.155 RESID 312 (K): -2.235 ----- -0.404 0.074 -0.053 -0.228 RESID 313 (A): -1.244 ----- 1.319 0.626 -0.446 -0.318 RESID 314 (L): 0.335 ----- 0.945 -0.464 1.375 -0.699 DATA CS_STAT_INFO N RMS: 8.232 ppm Count: 256 Average Difference: 0.482 +/- 8.234 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.224 ppm Count: 281 Average Difference: -0.160 +/- 1.216 ppm DATA CS_STAT_INFO CA RMS: 1.344 ppm Count: 283 Average Difference: -0.097 +/- 1.343 ppm DATA CS_STAT_INFO CB RMS: 1.419 ppm Count: 260 Average Difference: -0.162 +/- 1.412 ppm DATA CS_STAT_INFO HN RMS: 0.717 ppm Count: 256 Average Difference: -0.021 +/- 0.718 ppm ############################################################################ For conformer 7: Atom Original Corrected SPARTA Difference RESID 25 (D): N 120.600 120.600 120.679 -0.079 RESID 25 (D): C 174.400 174.400 175.902 -1.502 RESID 25 (D): CA 55.230 55.230 53.044 2.186 RESID 25 (D): CB 41.340 41.340 41.848 -0.508 RESID 25 (D): H 8.275 8.275 8.207 0.068 RESID 26 (W): N 120.100 120.100 123.703 -3.603 RESID 26 (W): C 174.200 174.200 175.071 -0.871 RESID 26 (W): CA 55.330 55.330 55.001 0.329 RESID 26 (W): CB 31.090 31.090 27.851 3.239 RESID 26 (W): H 7.788 7.788 7.532 0.256 RESID 27 (P): C 175.900 175.900 175.892 0.008 RESID 27 (P): CA 62.800 62.800 63.090 -0.290 RESID 27 (P): CB 37.260 37.260 32.314 4.946 RESID 28 (R): N 118.000 118.000 121.847 -3.847 RESID 28 (R): C 173.700 173.700 175.102 -1.402 RESID 28 (R): CA 55.160 55.160 54.433 0.727 RESID 28 (R): CB 33.430 33.430 32.666 0.764 RESID 28 (R): H 8.686 8.686 8.628 0.058 RESID 29 (Q): N 120.800 120.800 121.648 -0.848 RESID 29 (Q): C 175.500 175.500 174.909 0.591 RESID 29 (Q): CA 54.780 54.780 56.045 -1.265 RESID 29 (Q): CB 30.700 30.700 29.270 1.429 RESID 29 (Q): H 8.506 8.506 8.589 -0.083 RESID 30 (I): N 124.300 124.300 126.075 -1.775 RESID 30 (I): C 175.700 175.700 175.065 0.635 RESID 30 (I): CA 58.520 58.520 59.423 -0.903 RESID 30 (I): CB 40.680 40.680 41.245 -0.564 RESID 30 (I): H 9.002 9.002 7.929 1.073 RESID 31 (T): N 125.200 125.200 121.966 3.234 RESID 31 (T): C 174.400 174.400 173.667 0.733 RESID 31 (T): CA 62.150 62.150 63.425 -1.275 RESID 31 (T): CB 70.640 70.640 69.597 1.043 RESID 31 (T): H 8.989 8.989 8.398 0.591 RESID 32 (D): N 129.500 129.500 123.780 5.720 RESID 32 (D): C 177.400 177.400 175.985 1.415 RESID 32 (D): CA 52.630 52.630 51.815 0.815 RESID 32 (D): CB 42.950 42.950 43.421 -0.471 RESID 32 (D): H 9.389 9.389 7.981 1.408 RESID 33 (S): N 111.900 111.900 116.359 -4.459 RESID 33 (S): C 175.600 175.600 176.170 -0.570 RESID 33 (S): CA 60.920 60.920 60.526 0.394 RESID 33 (S): CB 63.430 63.430 63.808 -0.378 RESID 33 (S): H 8.075 8.075 8.297 -0.222 RESID 34 (R): N 120.600 120.600 122.971 -2.371 RESID 34 (R): C 176.100 176.100 176.733 -0.633 RESID 34 (R): CA 55.020 55.020 58.665 -3.645 RESID 34 (R): CB 30.850 30.850 30.670 0.180 RESID 34 (R): H 8.433 8.433 8.034 0.399 RESID 35 (G): N 108.900 108.900 103.763 5.137 RESID 35 (G): C 171.200 171.200 173.456 -2.256 RESID 35 (G): CA 45.060 45.060 45.566 -0.506 RESID 35 (G): H 7.837 7.837 8.599 -0.762 RESID 36 (T): N 116.300 116.300 116.169 0.131 RESID 36 (T): C 173.800 173.800 172.998 0.802 RESID 36 (T): CA 62.670 62.670 62.644 0.026 RESID 36 (T): CB 70.000 70.000 70.134 -0.134 RESID 36 (T): H 8.192 8.192 7.602 0.590 RESID 37 (H): N 125.800 125.800 125.347 0.453 RESID 37 (H): C 174.000 174.000 173.259 0.741 RESID 37 (H): CA 54.060 54.060 55.375 -1.315 RESID 37 (H): CB 31.020 31.020 33.035 -2.014 RESID 37 (H): H 8.986 8.986 8.627 0.359 RESID 38 (T): N 121.500 121.500 117.398 4.102 RESID 38 (T): C 174.200 174.200 172.829 1.371 RESID 38 (T): CA 63.190 63.190 61.077 2.113 RESID 38 (T): CB 70.080 70.080 71.304 -1.224 RESID 38 (T): H 9.101 9.101 7.558 1.543 RESID 39 (L): N 129.600 129.600 122.426 7.174 RESID 39 (L): C 176.900 176.900 176.802 0.098 RESID 39 (L): CA 53.990 53.990 53.472 0.518 RESID 39 (L): CB 43.160 43.160 44.038 -0.878 RESID 39 (L): H 9.145 9.145 8.701 0.444 RESID 40 (E): N 124.300 124.300 125.891 -1.591 RESID 40 (E): C 175.600 175.600 175.922 -0.322 RESID 40 (E): CA 59.420 59.420 59.129 0.291 RESID 40 (E): CB 30.710 30.710 30.228 0.482 RESID 40 (E): H 9.164 9.164 9.028 0.136 RESID 41 (S): N 108.300 108.300 110.169 -1.869 RESID 41 (S): C 171.700 171.700 173.192 -1.492 RESID 41 (S): CA 56.270 56.270 57.166 -0.896 RESID 41 (S): CB 65.420 65.420 64.806 0.614 RESID 41 (S): H 7.326 7.326 7.484 -0.158 RESID 42 (Q): N 123.900 123.900 120.561 3.339 RESID 42 (Q): C 174.600 174.600 174.753 -0.153 RESID 42 (Q): CA 53.730 53.730 55.756 -2.026 RESID 42 (Q): CB 28.470 28.470 27.909 0.561 RESID 42 (Q): H 7.339 7.339 8.600 -1.261 RESID 43 (P): C 176.300 176.300 176.692 -0.392 RESID 43 (P): CA 64.080 64.080 63.316 0.764 RESID 43 (P): CB 32.510 32.510 32.430 0.080 RESID 44 (Q): N 125.100 125.100 122.487 2.613 RESID 44 (Q): C 175.400 175.400 176.035 -0.635 RESID 44 (Q): CA 55.780 55.780 57.262 -1.482 RESID 44 (Q): CB 32.660 32.660 29.743 2.917 RESID 44 (Q): H 11.160 11.160 8.576 2.584 RESID 45 (R): N 125.700 125.700 117.513 8.187 RESID 45 (R): C 174.600 174.600 174.108 0.492 RESID 45 (R): CA 55.310 55.310 55.252 0.058 RESID 45 (R): CB 33.070 33.070 33.012 0.058 RESID 45 (R): H 10.010 10.010 7.569 2.441 RESID 47 (V): C 174.700 174.700 174.460 0.240 RESID 47 (V): CA 60.970 60.970 61.210 -0.240 RESID 47 (V): CB 34.140 34.140 34.440 -0.299 RESID 48 (S): N 118.300 118.300 120.243 -1.943 RESID 48 (S): C 175.500 175.500 173.813 1.687 RESID 48 (S): CA 55.700 55.700 57.749 -2.049 RESID 48 (S): CB 64.750 64.750 66.412 -1.662 RESID 48 (S): H 7.852 7.852 8.600 -0.748 RESID 49 (T): N 116.800 116.800 112.528 4.272 RESID 49 (T): C 171.500 171.500 174.525 -3.025 RESID 49 (T): CA 62.400 62.400 61.455 0.945 RESID 49 (T): CB 69.320 69.320 69.743 -0.423 RESID 49 (T): H 8.283 8.283 8.598 -0.315 RESID 50 (S): N 116.200 116.200 116.529 -0.329 RESID 50 (S): C 174.600 174.600 175.208 -0.608 RESID 50 (S): CA 54.640 54.640 56.630 -1.990 RESID 50 (S): CB 64.000 64.000 64.136 -0.136 RESID 50 (S): H 7.627 7.627 7.730 -0.103 RESID 51 (V): N 134.300 134.300 129.326 4.974 RESID 51 (V): C 175.100 175.100 177.828 -2.728 RESID 51 (V): CA 65.620 65.620 65.830 -0.210 RESID 51 (V): CB 31.790 31.790 31.884 -0.094 RESID 51 (V): H 9.218 9.218 9.054 0.164 RESID 52 (T): N 117.000 117.000 116.431 0.569 RESID 52 (T): C 179.700 179.700 176.530 3.170 RESID 52 (T): CA 67.390 67.390 66.224 1.166 RESID 52 (T): CB 69.130 69.130 68.566 0.564 RESID 52 (T): H 7.841 7.841 8.008 -0.167 RESID 53 (L): N 123.400 123.400 122.316 1.084 RESID 53 (L): C 178.700 178.700 178.400 0.300 RESID 53 (L): CA 57.460 57.460 58.221 -0.762 RESID 53 (L): CB 42.610 42.610 41.788 0.822 RESID 53 (L): H 8.092 8.092 8.632 -0.540 RESID 54 (T): N 117.500 117.500 115.726 1.774 RESID 54 (T): C 174.900 174.900 176.640 -1.740 RESID 54 (T): CA 67.070 67.070 67.729 -0.659 RESID 54 (T): H 8.039 8.039 8.136 -0.097 RESID 55 (G): N 105.500 105.500 109.211 -3.711 RESID 55 (G): C 175.600 175.600 175.798 -0.198 RESID 55 (G): CA 47.260 47.260 46.960 0.300 RESID 55 (G): H 6.591 6.591 7.874 -1.283 RESID 56 (S): N 117.000 117.000 117.775 -0.775 RESID 56 (S): C 175.600 175.600 176.752 -1.152 RESID 56 (S): CA 63.400 63.400 61.516 1.884 RESID 56 (S): CB 65.060 65.060 63.096 1.964 RESID 56 (S): H 6.709 6.709 7.977 -1.268 RESID 58 (L): C 181.200 181.200 179.415 1.785 RESID 58 (L): CA 57.480 57.480 57.748 -0.268 RESID 58 (L): CB 40.810 40.810 40.906 -0.096 RESID 59 (A): N 122.100 122.100 122.912 -0.812 RESID 59 (A): C 178.500 178.500 178.820 -0.320 RESID 59 (A): CA 55.540 55.540 54.809 0.732 RESID 59 (A): CB 18.440 18.440 18.754 -0.314 RESID 59 (A): H 7.797 7.797 8.117 -0.320 RESID 60 (I): C 172.700 172.700 174.247 -1.547 RESID 60 (I): CA 60.390 60.390 60.245 0.145 RESID 60 (I): CB 37.930 37.930 37.478 0.452 RESID 61 (D): N 116.200 116.200 118.551 -2.351 RESID 61 (D): C 174.800 174.800 174.545 0.255 RESID 61 (D): CA 55.850 55.850 55.806 0.044 RESID 61 (D): CB 38.930 38.930 38.956 -0.026 RESID 61 (D): H 7.736 7.736 7.742 -0.006 RESID 62 (A): N 118.900 118.900 121.935 -3.035 RESID 62 (A): C 176.800 176.800 174.109 2.691 RESID 62 (A): CA 50.040 50.040 50.881 -0.841 RESID 62 (A): CB 17.940 17.940 19.573 -1.633 RESID 62 (A): H 7.820 7.820 7.727 0.093 RESID 63 (P): C 173.600 173.600 175.716 -2.116 RESID 63 (P): CA 63.250 63.250 62.636 0.614 RESID 63 (P): CB 27.640 27.640 32.340 -4.700 RESID 64 (V): N 123.100 123.100 119.205 3.895 RESID 64 (V): C 174.800 174.800 175.734 -0.934 RESID 64 (V): CA 58.420 58.420 59.867 -1.447 RESID 64 (V): CB 33.300 33.300 34.109 -0.809 RESID 64 (V): H 8.299 8.299 7.864 0.435 RESID 65 (I): N 122.000 122.000 126.243 -4.243 RESID 65 (I): C 177.100 177.100 175.555 1.545 RESID 65 (I): CA 61.010 61.010 64.025 -3.015 RESID 65 (I): CB 39.480 39.480 38.205 1.275 RESID 65 (I): H 8.589 8.589 8.355 0.234 RESID 66 (A): N 120.700 120.700 116.397 4.303 RESID 66 (A): C 175.100 175.100 175.177 -0.077 RESID 66 (A): CA 51.300 51.300 50.665 0.635 RESID 66 (A): CB 22.980 22.980 21.515 1.465 RESID 66 (A): H 7.246 7.246 7.677 -0.431 RESID 67 (S): N 111.700 111.700 116.760 -5.060 RESID 67 (S): C 176.500 176.500 174.242 2.258 RESID 67 (S): CA 55.230 55.230 57.315 -2.085 RESID 67 (S): CB 65.300 65.300 67.719 -2.419 RESID 67 (S): H 8.561 8.561 8.327 0.234 RESID 68 (G): N 112.900 112.900 107.275 5.625 RESID 68 (G): C 171.000 171.000 172.609 -1.609 RESID 68 (G): CA 46.580 46.580 44.507 2.073 RESID 68 (G): H 7.604 7.604 8.645 -1.041 RESID 69 (A): N 122.300 122.300 125.987 -3.687 RESID 69 (A): C 177.900 177.900 175.232 2.668 RESID 69 (A): CA 51.280 51.280 52.456 -1.176 RESID 69 (A): CB 23.440 23.440 21.375 2.065 RESID 69 (A): H 7.402 7.402 8.226 -0.824 RESID 70 (T): N 119.600 119.600 114.131 5.469 RESID 70 (T): C 171.400 171.400 174.115 -2.715 RESID 70 (T): CA 58.150 58.150 61.304 -3.154 RESID 70 (T): CB 70.880 70.880 69.830 1.050 RESID 70 (T): H 9.171 9.171 8.163 1.008 RESID 71 (T): N 116.500 116.500 121.718 -5.218 RESID 71 (T): C 172.500 172.500 172.910 -0.410 RESID 71 (T): CA 61.680 61.680 61.642 0.039 RESID 71 (T): CB 70.490 70.490 68.940 1.550 RESID 71 (T): H 7.663 7.663 8.477 -0.814 RESID 72 (P): C 177.100 177.100 176.124 0.976 RESID 72 (P): CA 63.390 63.390 63.587 -0.197 RESID 72 (P): CB 32.940 32.940 32.219 0.721 RESID 73 (N): N 115.200 115.200 119.776 -4.576 RESID 73 (N): C 174.600 174.600 176.216 -1.616 RESID 73 (N): CA 54.570 54.570 53.834 0.736 RESID 73 (N): CB 37.020 37.020 38.479 -1.459 RESID 73 (N): H 7.990 7.990 8.698 -0.708 RESID 74 (N): C 175.800 175.800 176.944 -1.144 RESID 74 (N): CA 60.660 60.660 55.645 5.015 RESID 74 (N): CB 38.070 38.070 37.724 0.346 RESID 75 (R): N 114.600 114.600 120.896 -6.296 RESID 75 (R): C 177.400 177.400 177.561 -0.161 RESID 75 (R): CA 59.940 59.940 58.849 1.091 RESID 75 (R): CB 31.110 31.110 30.066 1.044 RESID 75 (R): H 8.049 8.049 8.341 -0.292 RESID 76 (V): N 107.100 107.100 117.429 -10.329 RESID 76 (V): C 176.000 176.000 175.949 0.051 RESID 76 (V): CA 61.110 61.110 64.017 -2.907 RESID 76 (V): CB 33.590 33.590 31.555 2.035 RESID 76 (V): H 7.356 7.356 8.192 -0.836 RESID 77 (A): N 126.900 126.900 121.000 5.900 RESID 77 (A): C 176.500 176.500 177.594 -1.094 RESID 77 (A): CA 51.390 51.390 52.443 -1.053 RESID 77 (A): CB 24.260 24.260 19.149 5.111 RESID 77 (A): H 7.873 7.873 7.156 0.717 RESID 78 (D): N 118.700 118.700 116.924 1.776 RESID 78 (D): C 178.100 178.100 175.890 2.210 RESID 78 (D): CA 51.970 51.970 52.910 -0.940 RESID 78 (D): CB 41.360 41.360 40.995 0.365 RESID 78 (D): H 8.607 8.607 8.178 0.429 RESID 79 (D): N 116.600 116.600 115.750 0.850 RESID 79 (D): C 176.400 176.400 176.113 0.287 RESID 79 (D): CA 56.030 56.030 54.940 1.090 RESID 79 (D): CB 40.100 40.100 39.215 0.884 RESID 79 (D): H 8.258 8.258 8.406 -0.148 RESID 80 (Q): N 117.200 117.200 121.561 -4.361 RESID 80 (Q): C 175.700 175.700 176.874 -1.174 RESID 80 (Q): CA 54.970 54.970 56.486 -1.516 RESID 80 (Q): CB 30.840 30.840 28.427 2.413 RESID 80 (Q): H 8.160 8.160 8.334 -0.174 RESID 81 (G): N 105.300 105.300 105.286 0.014 RESID 81 (G): C 174.200 174.200 173.339 0.861 RESID 81 (G): CA 45.740 45.740 44.783 0.957 RESID 81 (G): H 7.419 7.419 8.057 -0.638 RESID 82 (F): N 121.700 121.700 121.093 0.607 RESID 82 (F): C 175.300 175.300 175.740 -0.440 RESID 82 (F): CA 52.530 52.530 56.763 -4.233 RESID 82 (F): CB 37.430 37.430 40.019 -2.589 RESID 82 (F): H 8.154 8.154 7.838 0.316 RESID 83 (L): C 178.400 178.400 177.449 0.951 RESID 83 (L): CA 55.550 55.550 55.206 0.344 RESID 83 (L): CB 38.480 38.480 41.952 -3.472 RESID 84 (R): N 119.000 119.000 118.684 0.316 RESID 84 (R): C 178.300 178.300 177.535 0.765 RESID 84 (R): CA 60.690 60.690 57.235 3.455 RESID 84 (R): CB 31.530 31.530 29.888 1.642 RESID 84 (R): H 7.746 7.746 8.433 -0.687 RESID 85 (Q): N 116.400 116.400 118.985 -2.585 RESID 85 (Q): C 174.700 174.700 177.401 -2.701 RESID 85 (Q): CA 58.200 58.200 57.971 0.229 RESID 85 (Q): CB 26.140 26.140 29.294 -3.154 RESID 85 (Q): H 9.838 9.838 7.968 1.870 RESID 86 (W): N 115.600 115.600 121.981 -6.381 RESID 86 (W): C 175.900 175.900 177.753 -1.853 RESID 86 (W): CA 55.320 55.320 60.435 -5.115 RESID 86 (W): CB 27.470 27.470 29.625 -2.155 RESID 86 (W): H 6.600 6.600 8.551 -1.951 RESID 87 (S): N 118.500 118.500 114.579 3.921 RESID 87 (S): C 177.300 177.300 175.853 1.447 RESID 87 (S): CA 62.340 62.340 61.816 0.524 RESID 87 (S): H 7.067 7.067 8.346 -1.279 RESID 88 (K): N 118.300 118.300 122.209 -3.909 RESID 88 (K): C 179.000 179.000 178.826 0.174 RESID 88 (K): CA 59.970 59.970 59.502 0.468 RESID 88 (K): CB 32.380 32.380 32.472 -0.092 RESID 88 (K): H 8.615 8.615 7.661 0.954 RESID 89 (V): N 120.600 120.600 114.289 6.311 RESID 89 (V): C 178.100 178.100 177.303 0.797 RESID 89 (V): CA 65.530 65.530 65.441 0.090 RESID 89 (V): CB 32.180 32.180 31.668 0.512 RESID 89 (V): H 7.089 7.089 7.697 -0.608 RESID 90 (A): N 120.700 120.700 121.151 -0.451 RESID 90 (A): C 180.000 180.000 178.947 1.053 RESID 90 (A): CA 55.490 55.490 54.171 1.319 RESID 90 (A): CB 19.130 19.130 17.818 1.312 RESID 90 (A): H 7.979 7.979 7.325 0.654 RESID 91 (K): N 117.600 117.600 118.025 -0.425 RESID 91 (K): C 180.900 180.900 177.883 3.017 RESID 91 (K): CA 59.830 59.830 58.843 0.987 RESID 91 (K): CB 32.700 32.700 32.713 -0.013 RESID 91 (K): H 7.844 7.844 8.121 -0.277 RESID 92 (E): N 122.300 122.300 117.214 5.086 RESID 92 (E): C 178.600 178.600 177.101 1.499 RESID 92 (E): CA 59.590 59.590 57.307 2.283 RESID 92 (E): CB 29.740 29.740 30.422 -0.682 RESID 92 (E): H 8.178 8.178 7.705 0.473 RESID 93 (R): N 115.300 115.300 118.428 -3.128 RESID 93 (R): C 175.000 175.000 174.665 0.335 RESID 93 (R): CA 56.320 56.320 55.533 0.787 RESID 93 (R): CB 29.390 29.390 30.923 -1.533 RESID 93 (R): H 7.776 7.776 8.056 -0.280 RESID 94 (K): N 116.800 116.800 114.960 1.840 RESID 94 (K): C 176.400 176.400 175.721 0.679 RESID 94 (K): CA 56.950 56.950 57.605 -0.655 RESID 94 (K): CB 28.870 28.870 30.277 -1.407 RESID 94 (K): H 7.697 7.697 8.409 -0.712 RESID 95 (L): N 120.600 120.600 121.710 -1.110 RESID 95 (L): C 177.200 177.200 176.909 0.291 RESID 95 (L): CA 56.710 56.710 55.966 0.744 RESID 95 (L): CB 43.480 43.480 42.456 1.024 RESID 95 (L): H 7.708 7.708 7.637 0.071 RESID 96 (Q): N 124.900 124.900 124.482 0.418 RESID 96 (Q): C 175.000 175.000 175.961 -0.961 RESID 96 (Q): CA 55.570 55.570 54.931 0.638 RESID 96 (Q): CB 30.080 30.080 29.753 0.327 RESID 96 (Q): H 7.526 7.526 8.403 -0.877 RESID 97 (R): N 126.000 126.000 119.537 6.463 RESID 97 (R): C 176.800 176.800 176.228 0.572 RESID 97 (R): CA 55.610 55.610 56.662 -1.052 RESID 97 (R): CB 31.840 31.840 30.215 1.625 RESID 97 (R): H 9.039 9.039 8.542 0.497 RESID 98 (L): N 126.500 126.500 123.004 3.496 RESID 98 (L): C 175.400 175.400 175.817 -0.417 RESID 98 (L): CA 56.610 56.610 54.181 2.429 RESID 98 (L): CB 47.140 47.140 43.811 3.329 RESID 98 (L): H 8.247 8.247 8.693 -0.446 RESID 99 (Y): N 110.000 110.000 112.097 -2.097 RESID 99 (Y): C 173.200 173.200 174.594 -1.394 RESID 99 (Y): CA 55.320 55.320 56.139 -0.819 RESID 99 (Y): CB 38.350 38.350 39.364 -1.014 RESID 99 (Y): H 6.465 6.465 7.826 -1.361 RESID 100 (I): N 120.000 120.000 126.223 -6.223 RESID 100 (I): C 176.800 176.800 177.139 -0.339 RESID 100 (I): CA 61.290 61.290 63.086 -1.796 RESID 100 (I): CB 39.980 39.980 36.396 3.584 RESID 100 (I): H 8.725 8.725 8.621 0.104 RESID 101 (G): N 114.800 114.800 113.938 0.862 RESID 101 (G): C 173.400 173.400 174.113 -0.713 RESID 101 (G): CA 47.030 47.030 44.820 2.210 RESID 101 (G): H 8.224 8.224 8.477 -0.253 RESID 102 (E): N 129.600 129.600 118.706 10.894 RESID 102 (E): C 173.700 173.700 174.485 -0.785 RESID 102 (E): CA 54.480 54.480 54.012 0.468 RESID 102 (E): CB 29.790 29.790 27.763 2.027 RESID 102 (E): H 8.294 8.294 8.010 0.284 RESID 103 (P): C 175.400 175.400 176.226 -0.826 RESID 103 (P): CA 62.040 62.040 63.409 -1.369 RESID 103 (P): CB 32.570 32.570 32.647 -0.077 RESID 104 (S): N 111.900 111.900 117.128 -5.228 RESID 104 (S): C 174.800 174.800 174.664 0.136 RESID 104 (S): CA 55.340 55.340 58.469 -3.129 RESID 104 (S): CB 64.330 64.330 64.370 -0.040 RESID 104 (S): H 5.412 5.412 7.962 -2.550 RESID 105 (A): N 130.200 130.200 129.991 0.209 RESID 105 (A): C 179.400 179.400 179.070 0.330 RESID 105 (A): CA 55.070 55.070 54.335 0.735 RESID 105 (A): CB 18.210 18.210 19.111 -0.901 RESID 105 (A): H 9.211 9.211 8.874 0.337 RESID 106 (E): N 119.800 119.800 119.428 0.372 RESID 106 (E): C 179.300 179.300 178.861 0.439 RESID 106 (E): CA 60.270 60.270 59.025 1.245 RESID 106 (E): CB 28.990 28.990 29.464 -0.474 RESID 106 (E): H 8.731 8.731 8.587 0.144 RESID 107 (A): N 121.600 121.600 122.104 -0.504 RESID 107 (A): C 180.100 180.100 179.741 0.359 RESID 107 (A): CA 54.650 54.650 54.929 -0.279 RESID 107 (A): CB 19.220 19.220 18.437 0.783 RESID 107 (A): H 7.682 7.682 7.823 -0.141 RESID 108 (V): N 116.600 116.600 118.563 -1.963 RESID 108 (V): C 177.700 177.700 178.503 -0.803 RESID 108 (V): CA 66.920 66.920 65.961 0.959 RESID 108 (V): CB 31.430 31.430 31.729 -0.299 RESID 108 (V): H 7.015 7.015 7.521 -0.506 RESID 109 (A): N 121.400 121.400 122.830 -1.430 RESID 109 (A): C 181.100 181.100 179.243 1.857 RESID 109 (A): CA 55.540 55.540 54.923 0.617 RESID 109 (A): CB 17.900 17.900 18.043 -0.143 RESID 109 (A): H 8.262 8.262 8.112 0.150 RESID 110 (A): N 118.800 118.800 119.546 -0.746 RESID 110 (A): C 178.900 178.900 178.644 0.256 RESID 110 (A): CA 54.300 54.300 54.552 -0.252 RESID 110 (A): CB 18.460 18.460 18.491 -0.031 RESID 110 (A): H 7.607 7.607 7.920 -0.313 RESID 111 (Q): N 113.500 113.500 114.534 -1.034 RESID 111 (Q): C 174.900 174.900 175.948 -1.048 RESID 111 (Q): CA 55.160 55.160 54.236 0.924 RESID 111 (Q): CB 28.450 28.450 28.658 -0.208 RESID 111 (Q): H 7.148 7.148 7.445 -0.297 RESID 112 (M): N 114.700 114.700 120.872 -6.172 RESID 112 (M): C 173.300 173.300 173.234 0.066 RESID 112 (M): CA 55.900 55.900 55.533 0.367 RESID 112 (M): CB 30.300 30.300 31.744 -1.444 RESID 112 (M): H 7.882 7.882 7.949 -0.067 RESID 113 (P): C 176.700 176.700 176.260 0.440 RESID 113 (P): CA 62.820 62.820 62.580 0.240 RESID 113 (P): CB 33.340 33.340 32.976 0.364 RESID 114 (D): N 115.800 115.800 117.929 -2.129 RESID 114 (D): C 175.900 175.900 175.936 -0.036 RESID 114 (D): CA 53.150 53.150 55.259 -2.109 RESID 114 (D): CB 40.990 40.990 42.887 -1.897 RESID 114 (D): H 8.850 8.850 8.236 0.614 RESID 115 (L): C 174.900 174.900 174.301 0.599 RESID 115 (L): CA 52.800 52.800 54.128 -1.328 RESID 116 (I): N 123.500 123.500 126.259 -2.759 RESID 116 (I): CA 60.270 60.270 60.131 0.139 RESID 116 (I): H 9.340 9.340 8.029 1.311 RESID 118 (I): C 174.400 174.400 175.449 -1.049 RESID 118 (I): CA 60.250 60.250 59.785 0.465 RESID 118 (I): CB 42.610 42.610 41.401 1.209 RESID 119 (S): N 121.600 121.600 121.690 -0.090 RESID 119 (S): C 175.700 175.700 175.165 0.535 RESID 119 (S): CA 57.150 57.150 57.713 -0.563 RESID 119 (S): CB 65.280 65.280 64.605 0.675 RESID 119 (S): H 9.575 9.575 8.548 1.027 RESID 120 (A): N 126.000 126.000 124.442 1.558 RESID 120 (A): C 176.900 176.900 177.434 -0.534 RESID 120 (A): CA 54.300 54.300 54.340 -0.040 RESID 120 (A): CB 20.530 20.530 18.949 1.581 RESID 120 (A): H 8.143 8.143 8.714 -0.571 RESID 121 (T): N 106.400 106.400 110.459 -4.059 RESID 121 (T): C 173.000 173.000 173.115 -0.115 RESID 121 (T): CA 59.450 59.450 61.908 -2.458 RESID 121 (T): CB 72.310 72.310 70.710 1.600 RESID 121 (T): H 7.617 7.617 7.840 -0.223 RESID 122 (G): N 104.200 104.200 110.726 -6.526 RESID 122 (G): C 177.200 177.200 174.133 3.067 RESID 122 (G): CA 44.430 44.430 45.187 -0.757 RESID 122 (G): H 7.998 7.998 7.837 0.161 RESID 123 (G): C 174.100 174.100 174.316 -0.216 RESID 123 (G): CA 46.710 46.710 45.670 1.040 RESID 124 (D): N 116.900 116.900 119.136 -2.236 RESID 124 (D): C 176.900 176.900 175.741 1.159 RESID 124 (D): CA 52.320 52.320 52.925 -0.605 RESID 124 (D): CB 40.690 40.690 40.626 0.064 RESID 124 (D): H 8.617 8.617 7.723 0.894 RESID 125 (S): N 115.100 115.100 119.129 -4.029 RESID 125 (S): C 176.900 176.900 175.182 1.718 RESID 125 (S): CA 58.750 58.750 58.662 0.088 RESID 125 (S): CB 64.190 64.190 64.073 0.117 RESID 125 (S): H 7.322 7.322 8.437 -1.115 RESID 126 (A): N 134.900 134.900 130.089 4.811 RESID 126 (A): C 176.700 176.700 178.661 -1.961 RESID 126 (A): CA 51.150 51.150 53.513 -2.363 RESID 126 (A): CB 16.850 16.850 19.084 -2.233 RESID 126 (A): H 8.837 8.837 8.605 0.232 RESID 127 (L): N 121.000 121.000 121.017 -0.017 RESID 127 (L): C 178.900 178.900 178.346 0.554 RESID 127 (L): CA 58.730 58.730 57.264 1.466 RESID 127 (L): CB 42.840 42.840 41.612 1.228 RESID 127 (L): H 7.353 7.353 8.149 -0.796 RESID 128 (A): N 121.600 121.600 118.142 3.458 RESID 128 (A): C 178.900 178.900 178.127 0.773 RESID 128 (A): CA 55.010 55.010 54.171 0.839 RESID 128 (A): CB 18.200 18.200 18.697 -0.497 RESID 128 (A): H 8.918 8.918 7.623 1.295 RESID 129 (L): N 116.800 116.800 116.159 0.641 RESID 129 (L): C 177.000 177.000 177.873 -0.873 RESID 129 (L): CA 53.930 53.930 55.214 -1.284 RESID 129 (L): CB 42.710 42.710 43.114 -0.404 RESID 129 (L): H 7.776 7.776 7.419 0.357 RESID 130 (Y): N 122.000 122.000 122.828 -0.828 RESID 130 (Y): C 177.100 177.100 176.724 0.376 RESID 130 (Y): CA 64.420 64.420 62.964 1.456 RESID 130 (Y): CB 39.470 39.470 38.427 1.043 RESID 130 (Y): H 7.891 7.891 8.981 -1.090 RESID 131 (D): N 119.000 119.000 117.812 1.188 RESID 131 (D): C 178.300 178.300 178.428 -0.128 RESID 131 (D): CA 58.040 58.040 57.452 0.588 RESID 131 (D): CB 39.660 39.660 39.360 0.300 RESID 131 (D): H 9.014 9.014 8.103 0.911 RESID 132 (Q): N 118.900 118.900 119.950 -1.050 RESID 132 (Q): C 179.100 179.100 178.805 0.295 RESID 132 (Q): CA 58.930 58.930 58.767 0.163 RESID 132 (Q): CB 29.320 29.320 28.718 0.602 RESID 132 (Q): H 7.814 7.814 7.974 -0.160 RESID 133 (L): N 119.700 119.700 120.168 -0.468 RESID 133 (L): C 177.900 177.900 178.606 -0.706 RESID 133 (L): CA 57.910 57.910 57.680 0.230 RESID 133 (L): CB 40.980 40.980 41.785 -0.805 RESID 133 (L): H 8.450 8.450 8.808 -0.358 RESID 134 (S): N 111.800 111.800 114.871 -3.071 RESID 134 (S): C 175.500 175.500 175.820 -0.320 RESID 134 (S): CA 61.160 61.160 60.905 0.255 RESID 134 (S): CB 63.450 63.450 62.709 0.741 RESID 134 (S): H 8.128 8.128 8.448 -0.320 RESID 135 (T): N 111.100 111.100 115.993 -4.893 RESID 135 (T): C 175.300 175.300 176.613 -1.313 RESID 135 (T): CA 63.230 63.230 65.311 -2.081 RESID 135 (T): CB 69.670 69.670 69.010 0.660 RESID 135 (T): H 6.953 6.953 7.556 -0.603 RESID 136 (I): N 124.400 124.400 120.495 3.905 RESID 136 (I): C 175.800 175.800 175.573 0.227 RESID 136 (I): CA 63.940 63.940 64.028 -0.088 RESID 136 (I): CB 38.870 38.870 38.568 0.302 RESID 136 (I): H 7.694 7.694 7.354 0.340 RESID 137 (A): N 120.500 120.500 118.632 1.868 RESID 137 (A): C 172.300 172.300 173.978 -1.678 RESID 137 (A): CA 50.470 50.470 50.567 -0.097 RESID 137 (A): CB 19.320 19.320 19.498 -0.178 RESID 137 (A): H 7.540 7.540 7.971 -0.431 RESID 138 (P): C 174.700 174.700 176.207 -1.507 RESID 138 (P): CA 64.700 64.700 63.590 1.110 RESID 138 (P): CB 31.610 31.610 31.544 0.066 RESID 139 (T): N 122.000 122.000 119.896 2.104 RESID 139 (T): C 173.900 173.900 173.952 -0.052 RESID 139 (T): CA 61.630 61.630 63.187 -1.557 RESID 139 (T): CB 71.540 71.540 69.674 1.866 RESID 139 (T): H 7.990 7.990 8.156 -0.166 RESID 140 (L): C 174.900 174.900 174.284 0.616 RESID 140 (L): CA 52.740 52.740 53.542 -0.802 RESID 140 (L): CB 46.680 46.680 45.988 0.692 RESID 141 (I): N 123.500 123.500 125.909 -2.409 RESID 141 (I): C 175.700 175.700 174.555 1.145 RESID 141 (I): CA 60.250 60.250 61.212 -0.962 RESID 141 (I): CB 39.590 39.590 38.589 1.001 RESID 141 (I): H 9.345 9.345 7.917 1.428 RESID 142 (I): N 129.000 129.000 126.908 2.092 RESID 142 (I): C 174.400 174.400 174.169 0.231 RESID 142 (I): CA 57.930 57.930 59.872 -1.942 RESID 142 (I): CB 39.690 39.690 42.079 -2.389 RESID 142 (I): H 9.030 9.030 8.908 0.122 RESID 143 (N): N 129.100 129.100 124.133 4.967 RESID 143 (N): C 174.700 174.700 174.222 0.478 RESID 143 (N): CA 51.390 51.390 53.302 -1.912 RESID 143 (N): CB 39.720 39.720 39.640 0.080 RESID 143 (N): H 9.388 9.388 8.658 0.730 RESID 144 (Y): N 119.900 119.900 125.662 -5.762 RESID 144 (Y): C 176.500 176.500 174.758 1.742 RESID 144 (Y): CA 55.820 55.820 59.487 -3.667 RESID 144 (Y): CB 39.120 39.120 39.312 -0.192 RESID 144 (Y): H 8.491 8.491 8.443 0.048 RESID 145 (D): N 125.200 125.200 124.337 0.863 RESID 145 (D): C 176.800 176.800 175.050 1.750 RESID 145 (D): CA 55.220 55.220 55.417 -0.197 RESID 145 (D): CB 43.120 43.120 39.771 3.349 RESID 145 (D): H 8.800 8.800 8.354 0.446 RESID 146 (D): N 119.100 119.100 115.187 3.913 RESID 146 (D): C 175.200 175.200 175.296 -0.096 RESID 146 (D): CA 53.230 53.230 53.588 -0.358 RESID 146 (D): CB 40.760 40.760 42.379 -1.619 RESID 146 (D): H 7.571 7.571 8.617 -1.046 RESID 147 (K): N 114.100 114.100 119.779 -5.679 RESID 147 (K): C 175.000 175.000 175.264 -0.264 RESID 147 (K): CA 54.070 54.070 55.608 -1.538 RESID 147 (K): CB 33.340 33.340 35.187 -1.847 RESID 147 (K): H 7.018 7.018 7.560 -0.542 RESID 148 (S): N 118.300 118.300 118.719 -0.419 RESID 148 (S): C 175.700 175.700 176.098 -0.398 RESID 148 (S): CA 57.120 57.120 57.185 -0.065 RESID 148 (S): CB 64.970 64.970 64.244 0.726 RESID 148 (S): H 8.709 8.709 8.505 0.204 RESID 149 (W): N 121.700 121.700 120.020 1.680 RESID 149 (W): C 179.300 179.300 177.224 2.076 RESID 149 (W): CA 59.890 59.890 58.600 1.290 RESID 149 (W): CB 27.660 27.660 28.374 -0.714 RESID 149 (W): H 8.779 8.779 8.918 -0.139 RESID 150 (Q): N 124.600 124.600 120.794 3.806 RESID 150 (Q): C 178.100 178.100 178.005 0.095 RESID 150 (Q): CA 61.660 61.660 58.163 3.497 RESID 150 (Q): CB 26.550 26.550 27.663 -1.113 RESID 150 (Q): H 8.369 8.369 6.804 1.565 RESID 151 (S): N 117.500 117.500 116.374 1.126 RESID 151 (S): C 177.500 177.500 176.918 0.582 RESID 151 (S): CA 61.760 61.760 61.178 0.582 RESID 151 (S): CB 63.360 63.360 62.647 0.713 RESID 151 (S): H 7.769 7.769 7.682 0.087 RESID 152 (L): N 125.200 125.200 122.641 2.559 RESID 152 (L): C 178.700 178.700 178.149 0.551 RESID 152 (L): CA 58.320 58.320 57.918 0.402 RESID 152 (L): CB 41.980 41.980 41.690 0.290 RESID 152 (L): H 8.460 8.460 8.406 0.054 RESID 153 (L): N 119.200 119.200 118.653 0.547 RESID 153 (L): C 179.700 179.700 178.657 1.043 RESID 153 (L): CA 58.960 58.960 57.529 1.431 RESID 153 (L): CB 41.270 41.270 41.364 -0.094 RESID 153 (L): H 8.562 8.562 7.620 0.942 RESID 154 (T): N 116.300 116.300 112.791 3.509 RESID 154 (T): C 177.200 177.200 176.890 0.310 RESID 154 (T): CA 67.290 67.290 65.977 1.313 RESID 154 (T): CB 68.640 68.640 68.097 0.543 RESID 154 (T): H 8.004 8.004 7.878 0.126 RESID 155 (Q): N 124.500 124.500 121.012 3.488 RESID 155 (Q): C 179.200 179.200 178.007 1.193 RESID 155 (Q): CA 59.710 59.710 58.340 1.370 RESID 155 (Q): CB 28.620 28.620 28.348 0.273 RESID 155 (Q): H 8.230 8.230 7.894 0.336 RESID 156 (L): C 180.900 180.900 179.264 1.636 RESID 156 (L): CA 57.540 57.540 56.921 0.619 RESID 156 (L): CB 41.710 41.710 41.838 -0.128 RESID 157 (G): N 112.800 112.800 107.011 5.789 RESID 157 (G): C 174.500 174.500 175.079 -0.579 RESID 157 (G): CA 48.300 48.300 46.512 1.788 RESID 157 (G): H 9.216 9.216 8.007 1.209 RESID 158 (E): N 123.500 123.500 118.691 4.809 RESID 158 (E): C 177.800 177.800 177.154 0.646 RESID 158 (E): CA 59.120 59.120 57.870 1.250 RESID 158 (E): CB 29.700 29.700 29.383 0.317 RESID 158 (E): H 7.480 7.480 7.465 0.015 RESID 160 (T): C 178.300 178.300 176.007 2.293 RESID 160 (T): CA 61.930 61.930 63.093 -1.163 RESID 160 (T): CB 71.830 71.830 69.159 2.671 RESID 161 (G): N 113.600 113.600 113.909 -0.309 RESID 161 (G): C 174.600 174.600 174.157 0.443 RESID 161 (G): CA 48.130 48.130 46.877 1.253 RESID 161 (G): H 8.114 8.114 8.989 -0.875 RESID 162 (H): N 121.000 121.000 116.111 4.889 RESID 162 (H): C 174.000 174.000 176.180 -2.180 RESID 162 (H): CA 55.370 55.370 55.899 -0.529 RESID 162 (H): CB 28.280 28.280 31.275 -2.995 RESID 162 (H): H 8.506 8.506 7.831 0.675 RESID 163 (E): N 123.900 123.900 122.111 1.789 RESID 163 (E): C 180.800 180.800 178.470 2.330 RESID 163 (E): CA 61.160 61.160 59.731 1.429 RESID 163 (E): CB 28.720 28.720 29.160 -0.440 RESID 163 (E): H 10.300 10.300 8.753 1.547 RESID 164 (K): N 120.600 120.600 120.366 0.234 RESID 164 (K): C 178.700 178.700 178.791 -0.091 RESID 164 (K): CA 59.590 59.590 60.043 -0.453 RESID 164 (K): CB 32.280 32.280 31.971 0.309 RESID 164 (K): H 8.789 8.789 8.392 0.397 RESID 165 (Q): N 119.500 119.500 117.311 2.189 RESID 165 (Q): C 178.800 178.800 178.130 0.670 RESID 165 (Q): CA 60.870 60.870 58.840 2.030 RESID 165 (Q): CB 28.120 28.120 28.386 -0.266 RESID 165 (Q): H 8.058 8.058 8.540 -0.482 RESID 166 (A): N 121.100 121.100 122.442 -1.342 RESID 166 (A): C 178.000 178.000 179.426 -1.426 RESID 166 (A): CA 56.280 56.280 54.963 1.317 RESID 166 (A): CB 18.300 18.300 18.072 0.228 RESID 166 (A): H 7.873 7.873 8.028 -0.155 RESID 167 (A): N 117.900 117.900 120.932 -3.032 RESID 167 (A): C 181.500 181.500 179.606 1.894 RESID 167 (A): CA 55.100 55.100 55.261 -0.161 RESID 167 (A): CB 17.860 17.860 18.167 -0.307 RESID 167 (A): H 7.642 7.642 8.747 -1.105 RESID 168 (E): N 120.100 120.100 118.570 1.530 RESID 168 (E): C 179.600 179.600 179.129 0.471 RESID 168 (E): CA 59.610 59.610 59.616 -0.006 RESID 168 (E): CB 29.790 29.790 29.337 0.453 RESID 168 (E): H 8.230 8.230 7.905 0.325 RESID 170 (I): C 177.700 177.700 177.704 -0.004 RESID 170 (I): CA 66.880 66.880 65.301 1.579 RESID 170 (I): CB 39.310 39.310 37.955 1.355 RESID 171 (A): N 120.700 120.700 123.198 -2.498 RESID 171 (A): C 181.200 181.200 179.838 1.362 RESID 171 (A): CA 55.290 55.290 55.639 -0.349 RESID 171 (A): CB 18.260 18.260 18.115 0.145 RESID 171 (A): H 8.000 8.000 8.783 -0.783 RESID 172 (Q): N 120.600 120.600 118.019 2.581 RESID 172 (Q): C 179.200 179.200 178.581 0.619 RESID 172 (Q): CA 59.210 59.210 58.498 0.712 RESID 172 (Q): CB 28.340 28.340 28.597 -0.257 RESID 172 (Q): H 8.585 8.585 7.952 0.633 RESID 173 (F): N 122.500 122.500 122.621 -0.121 RESID 173 (F): C 176.400 176.400 177.406 -1.006 RESID 173 (F): CA 62.710 62.710 61.107 1.603 RESID 173 (F): CB 39.490 39.490 39.129 0.361 RESID 173 (F): H 8.457 8.457 8.758 -0.301 RESID 174 (D): N 121.000 121.000 120.107 0.893 RESID 174 (D): C 180.300 180.300 178.880 1.420 RESID 174 (D): CA 58.040 58.040 57.492 0.548 RESID 174 (D): CB 40.160 40.160 40.255 -0.095 RESID 174 (D): H 8.771 8.771 9.039 -0.268 RESID 175 (K): N 121.300 121.300 120.231 1.069 RESID 175 (K): C 179.800 179.800 178.635 1.165 RESID 175 (K): CA 59.630 59.630 59.648 -0.018 RESID 175 (K): CB 32.710 32.710 32.394 0.316 RESID 175 (K): H 8.125 8.125 8.185 -0.060 RESID 176 (Q): N 121.600 121.600 119.502 2.098 RESID 176 (Q): C 179.100 179.100 178.329 0.771 RESID 176 (Q): CA 58.460 58.460 58.938 -0.478 RESID 176 (Q): CB 27.990 27.990 28.524 -0.534 RESID 176 (Q): H 8.164 8.164 7.822 0.342 RESID 177 (L): N 125.600 125.600 119.613 5.987 RESID 177 (L): C 178.400 178.400 178.674 -0.274 RESID 177 (L): CA 59.890 59.890 57.240 2.650 RESID 177 (L): CB 41.200 41.200 41.360 -0.160 RESID 177 (L): H 8.944 8.944 7.748 1.196 RESID 178 (A): N 121.500 121.500 122.555 -1.055 RESID 178 (A): C 180.600 180.600 179.229 1.371 RESID 178 (A): CA 55.390 55.390 55.198 0.192 RESID 178 (A): CB 17.970 17.970 17.881 0.089 RESID 178 (A): H 7.690 7.690 8.242 -0.552 RESID 179 (A): N 120.200 120.200 120.987 -0.787 RESID 179 (A): C 180.600 180.600 179.883 0.717 RESID 179 (A): CA 54.860 54.860 54.520 0.340 RESID 179 (A): CB 18.190 18.190 18.598 -0.408 RESID 179 (A): H 7.706 7.706 7.663 0.043 RESID 180 (A): N 121.800 121.800 121.814 -0.014 RESID 180 (A): C 179.200 179.200 179.102 0.098 RESID 180 (A): CA 55.490 55.490 54.740 0.750 RESID 180 (A): CB 17.920 17.920 18.189 -0.269 RESID 180 (A): H 8.171 8.171 8.005 0.166 RESID 181 (K): N 118.100 118.100 117.937 0.163 RESID 181 (K): C 178.000 178.000 178.099 -0.099 RESID 181 (K): CA 59.830 59.830 59.205 0.625 RESID 181 (K): CB 33.340 33.340 32.635 0.705 RESID 181 (K): H 8.342 8.342 8.312 0.030 RESID 182 (E): N 114.400 114.400 116.546 -2.146 RESID 182 (E): C 177.300 177.300 177.440 -0.140 RESID 182 (E): CA 57.870 57.870 57.120 0.750 RESID 182 (E): CB 30.320 30.320 29.239 1.081 RESID 182 (E): H 7.153 7.153 7.732 -0.579 RESID 183 (Q): N 116.700 116.700 117.393 -0.693 RESID 183 (Q): C 177.200 177.200 176.179 1.021 RESID 183 (Q): CA 57.060 57.060 56.828 0.232 RESID 183 (Q): CB 31.550 31.550 31.132 0.418 RESID 183 (Q): H 7.458 7.458 7.648 -0.190 RESID 184 (I): N 117.800 117.800 115.867 1.933 RESID 184 (I): C 175.200 175.200 174.243 0.957 RESID 184 (I): CA 63.000 63.000 59.745 3.255 RESID 184 (I): CB 40.300 40.300 39.956 0.344 RESID 184 (I): H 7.723 7.723 7.436 0.287 RESID 185 (K): N 127.700 127.700 122.931 4.769 RESID 185 (K): C 175.600 175.600 175.630 -0.030 RESID 185 (K): CA 54.550 54.550 55.120 -0.570 RESID 185 (K): CB 31.600 31.600 34.517 -2.917 RESID 185 (K): H 8.743 8.743 7.914 0.829 RESID 186 (L): N 124.700 124.700 125.741 -1.041 RESID 186 (L): C 175.700 175.700 175.908 -0.208 RESID 186 (L): CA 54.240 54.240 51.890 2.350 RESID 186 (L): CB 41.050 41.050 40.668 0.382 RESID 186 (L): H 8.051 8.051 8.481 -0.430 RESID 188 (P): C 174.800 174.800 176.250 -1.450 RESID 188 (P): CA 65.060 65.060 63.590 1.470 RESID 188 (P): CB 32.670 32.670 31.674 0.996 RESID 189 (Q): N 121.300 121.300 121.061 0.239 RESID 189 (Q): C 174.800 174.800 172.928 1.872 RESID 189 (Q): CA 52.330 52.330 54.714 -2.384 RESID 189 (Q): CB 31.350 31.350 30.399 0.951 RESID 189 (Q): H 8.061 8.061 8.223 -0.162 RESID 190 (P): C 175.500 175.500 175.551 -0.051 RESID 190 (P): CA 62.820 62.820 62.466 0.354 RESID 190 (P): CB 35.450 35.450 32.822 2.628 RESID 191 (V): N 112.600 112.600 121.575 -8.975 RESID 191 (V): C 174.300 174.300 173.972 0.328 RESID 191 (V): CA 59.740 59.740 59.523 0.217 RESID 191 (V): CB 35.030 35.030 34.688 0.342 RESID 191 (V): H 9.214 9.214 8.513 0.701 RESID 192 (T): N 120.700 120.700 113.376 7.324 RESID 192 (T): C 172.300 172.300 172.090 0.210 RESID 192 (T): CA 63.030 63.030 59.513 3.518 RESID 192 (T): CB 71.550 71.550 71.259 0.291 RESID 192 (T): H 8.462 8.462 8.327 0.135 RESID 193 (A): N 132.900 132.900 122.986 9.914 RESID 193 (A): C 175.400 175.400 175.406 -0.006 RESID 193 (A): CA 50.570 50.570 51.120 -0.550 RESID 193 (A): CB 21.140 21.140 21.448 -0.308 RESID 193 (A): H 10.170 10.170 8.562 1.608 RESID 194 (I): N 115.400 115.400 117.469 -2.069 RESID 194 (I): C 176.600 176.600 173.702 2.898 RESID 194 (I): CA 59.540 59.540 60.003 -0.463 RESID 194 (I): CB 43.930 43.930 42.123 1.807 RESID 194 (I): H 9.269 9.269 8.539 0.730 RESID 195 (V): N 118.500 118.500 122.740 -4.240 RESID 195 (V): C 176.200 176.200 174.065 2.135 RESID 195 (V): CA 63.190 63.190 61.387 1.803 RESID 195 (V): CB 34.870 34.870 34.775 0.095 RESID 195 (V): H 8.484 8.484 8.655 -0.171 RESID 196 (Y): N 132.200 132.200 129.467 2.733 RESID 196 (Y): C 174.700 174.700 174.148 0.552 RESID 196 (Y): CA 57.000 57.000 57.421 -0.421 RESID 196 (Y): CB 41.250 41.250 40.205 1.045 RESID 196 (Y): H 9.989 9.989 8.986 1.003 RESID 197 (T): N 124.900 124.900 123.407 1.493 RESID 197 (T): C 174.300 174.300 173.374 0.926 RESID 197 (T): CA 60.740 60.740 60.626 0.114 RESID 197 (T): CB 68.560 68.560 71.607 -3.047 RESID 197 (T): H 8.262 8.262 7.831 0.431 RESID 198 (A): N 130.500 130.500 130.793 -0.293 RESID 198 (A): C 180.400 180.400 179.196 1.204 RESID 198 (A): CA 55.510 55.510 54.339 1.171 RESID 198 (A): CB 18.480 18.480 18.394 0.086 RESID 198 (A): H 8.524 8.524 8.847 -0.323 RESID 199 (A): N 118.700 118.700 123.491 -4.791 RESID 199 (A): C 177.700 177.700 178.717 -1.017 RESID 199 (A): CA 54.350 54.350 54.851 -0.501 RESID 199 (A): CB 18.350 18.350 17.951 0.399 RESID 199 (A): H 8.578 8.578 8.278 0.300 RESID 200 (A): N 116.700 116.700 120.534 -3.834 RESID 200 (A): C 176.600 176.600 177.244 -0.644 RESID 200 (A): CA 51.290 51.290 52.075 -0.785 RESID 200 (A): CB 20.180 20.180 18.856 1.324 RESID 200 (A): H 6.638 6.638 8.094 -1.456 RESID 201 (H): N 116.900 116.900 116.517 0.383 RESID 201 (H): C 172.900 172.900 173.399 -0.499 RESID 201 (H): CA 56.710 56.710 56.331 0.378 RESID 201 (H): CB 27.820 27.820 28.253 -0.433 RESID 201 (H): H 7.569 7.569 7.773 -0.204 RESID 202 (S): N 110.500 110.500 114.477 -3.977 RESID 202 (S): C 171.500 171.500 171.458 0.042 RESID 202 (S): CA 56.530 56.530 57.603 -1.073 RESID 202 (S): CB 66.170 66.170 66.306 -0.136 RESID 202 (S): H 7.109 7.109 7.801 -0.692 RESID 203 (A): N 120.900 120.900 123.836 -2.936 RESID 203 (A): C 174.900 174.900 175.284 -0.384 RESID 203 (A): CA 50.890 50.890 51.429 -0.539 RESID 203 (A): CB 24.510 24.510 22.206 2.304 RESID 203 (A): H 8.618 8.618 8.305 0.313 RESID 204 (N): N 118.900 118.900 118.842 0.058 RESID 204 (N): C 173.300 173.300 173.460 -0.160 RESID 204 (N): CA 51.520 51.520 52.077 -0.556 RESID 204 (N): CB 40.080 40.080 42.171 -2.091 RESID 204 (N): H 8.333 8.333 8.234 0.099 RESID 205 (L): N 127.200 127.200 121.732 5.468 RESID 205 (L): C 175.700 175.700 175.569 0.131 RESID 205 (L): CA 54.920 54.920 54.065 0.855 RESID 205 (L): CB 44.180 44.180 42.659 1.521 RESID 205 (L): H 9.265 9.265 7.613 1.652 RESID 206 (W): N 125.300 125.300 123.642 1.658 RESID 206 (W): C 177.100 177.100 176.448 0.652 RESID 206 (W): CA 56.630 56.630 57.381 -0.751 RESID 206 (W): CB 29.690 29.690 30.825 -1.135 RESID 206 (W): H 8.560 8.560 7.926 0.634 RESID 207 (T): N 112.000 112.000 110.221 1.779 RESID 207 (T): C 176.100 176.100 173.287 2.813 RESID 207 (T): CA 60.120 60.120 59.236 0.884 RESID 207 (T): CB 68.540 68.540 70.398 -1.859 RESID 207 (T): H 8.029 8.029 8.140 -0.111 RESID 208 (P): C 176.000 176.000 176.852 -0.852 RESID 208 (P): CA 66.120 66.120 65.395 0.725 RESID 208 (P): CB 31.950 31.950 32.165 -0.215 RESID 209 (E): N 112.300 112.300 115.039 -2.739 RESID 209 (E): C 177.100 177.100 176.803 0.297 RESID 209 (E): CA 57.280 57.280 57.208 0.072 RESID 209 (E): CB 29.760 29.760 30.146 -0.386 RESID 209 (E): H 7.612 7.612 7.964 -0.352 RESID 210 (S): N 115.800 115.800 115.083 0.717 RESID 210 (S): C 173.900 173.900 175.525 -1.625 RESID 210 (S): CA 58.060 58.060 59.161 -1.101 RESID 210 (S): CB 67.320 67.320 64.473 2.847 RESID 210 (S): H 7.654 7.654 7.432 0.222 RESID 211 (A): N 125.200 125.200 127.389 -2.189 RESID 211 (A): C 180.600 180.600 179.852 0.748 RESID 211 (A): CA 55.410 55.410 55.323 0.087 RESID 211 (A): CB 18.530 18.530 18.759 -0.229 RESID 211 (A): H 8.874 8.874 9.024 -0.150 RESID 212 (Q): N 119.200 119.200 118.623 0.577 RESID 212 (Q): C 177.100 177.100 178.014 -0.914 RESID 212 (Q): CA 61.410 61.410 58.964 2.446 RESID 212 (Q): CB 27.090 27.090 27.418 -0.328 RESID 212 (Q): H 8.493 8.493 8.480 0.013 RESID 213 (G): N 107.500 107.500 107.652 -0.152 RESID 213 (G): C 175.400 175.400 176.318 -0.918 RESID 213 (G): CA 47.520 47.520 46.824 0.696 RESID 213 (G): H 8.053 8.053 8.304 -0.251 RESID 214 (Q): N 120.700 120.700 121.471 -0.771 RESID 214 (Q): C 179.000 179.000 178.387 0.613 RESID 214 (Q): CA 59.150 59.150 58.856 0.294 RESID 214 (Q): CB 29.110 29.110 28.693 0.417 RESID 214 (Q): H 8.501 8.501 8.086 0.415 RESID 215 (M): N 119.200 119.200 120.624 -1.424 RESID 215 (M): C 177.800 177.800 178.165 -0.365 RESID 215 (M): CA 59.760 59.760 59.643 0.117 RESID 215 (M): CB 32.050 32.050 32.844 -0.794 RESID 215 (M): H 7.878 7.878 8.182 -0.304 RESID 216 (L): N 115.800 115.800 118.800 -3.000 RESID 216 (L): C 179.900 179.900 179.030 0.870 RESID 216 (L): CA 58.160 58.160 57.648 0.512 RESID 216 (L): CB 40.010 40.010 41.461 -1.451 RESID 216 (L): H 7.517 7.517 7.970 -0.453 RESID 217 (E): N 121.000 121.000 119.652 1.348 RESID 217 (E): C 182.200 182.200 179.232 2.968 RESID 217 (E): CA 60.210 60.210 58.922 1.288 RESID 217 (E): CB 29.150 29.150 29.419 -0.269 RESID 217 (E): H 8.377 8.377 8.161 0.216 RESID 218 (Q): N 122.300 122.300 117.082 5.218 RESID 218 (Q): C 178.100 178.100 178.732 -0.632 RESID 218 (Q): CA 59.220 59.220 58.204 1.016 RESID 218 (Q): CB 28.850 28.850 29.115 -0.265 RESID 218 (Q): H 8.464 8.464 7.919 0.545 RESID 219 (L): N 118.400 118.400 117.257 1.143 RESID 219 (L): C 175.200 175.200 177.486 -2.286 RESID 219 (L): CA 55.880 55.880 57.141 -1.261 RESID 219 (L): CB 44.330 44.330 42.890 1.440 RESID 219 (L): H 7.433 7.433 7.739 -0.306 RESID 220 (G): N 104.600 104.600 102.668 1.932 RESID 220 (G): C 174.700 174.700 172.926 1.774 RESID 220 (G): CA 44.750 44.750 44.686 0.064 RESID 220 (G): H 7.777 7.777 8.158 -0.381 RESID 221 (F): N 119.100 119.100 118.929 0.171 RESID 221 (F): C 175.200 175.200 174.336 0.864 RESID 221 (F): CA 57.900 57.900 55.968 1.932 RESID 221 (F): CB 38.930 38.930 42.780 -3.850 RESID 221 (F): H 8.001 8.001 7.774 0.227 RESID 222 (T): N 117.600 117.600 116.002 1.598 RESID 222 (T): C 173.900 173.900 173.385 0.515 RESID 222 (T): CA 61.790 61.790 61.190 0.600 RESID 222 (T): CB 71.360 71.360 69.759 1.601 RESID 222 (T): H 8.961 8.961 8.566 0.395 RESID 223 (L): N 128.300 128.300 127.090 1.210 RESID 223 (L): C 178.300 178.300 176.645 1.655 RESID 223 (L): CA 54.760 54.760 53.403 1.357 RESID 223 (L): CB 41.600 41.600 42.728 -1.129 RESID 223 (L): H 9.269 9.269 8.207 1.062 RESID 224 (A): N 126.800 126.800 128.129 -1.329 RESID 224 (A): C 177.400 177.400 175.862 1.538 RESID 224 (A): CA 52.460 52.460 51.000 1.460 RESID 224 (A): CB 18.650 18.650 20.822 -2.172 RESID 224 (A): H 9.077 9.077 8.102 0.975 RESID 225 (K): N 123.400 123.400 121.165 2.235 RESID 225 (K): C 176.800 176.800 176.189 0.611 RESID 225 (K): CA 55.600 55.600 55.576 0.024 RESID 225 (K): CB 33.080 33.080 32.914 0.166 RESID 225 (K): H 8.601 8.601 8.362 0.239 RESID 226 (L): N 126.200 126.200 128.008 -1.808 RESID 226 (L): C 175.500 175.500 175.608 -0.108 RESID 226 (L): CA 53.420 53.420 53.938 -0.518 RESID 226 (L): CB 41.720 41.720 41.244 0.476 RESID 226 (L): H 8.634 8.634 8.522 0.112 RESID 227 (P): C 176.800 176.800 177.071 -0.271 RESID 227 (P): CA 62.860 62.860 62.893 -0.033 RESID 227 (P): CB 32.360 32.360 32.187 0.173 RESID 228 (A): N 124.900 124.900 124.852 0.048 RESID 228 (A): C 179.500 179.500 178.484 1.016 RESID 228 (A): CA 54.120 54.120 53.414 0.706 RESID 228 (A): CB 18.710 18.710 18.704 0.006 RESID 228 (A): H 8.412 8.412 8.511 -0.099 RESID 229 (G): N 107.700 107.700 107.489 0.211 RESID 229 (G): C 175.000 175.000 175.990 -0.990 RESID 229 (G): CA 46.040 46.040 45.430 0.610 RESID 229 (G): H 8.565 8.565 8.096 0.469 RESID 230 (L): N 121.100 121.100 122.327 -1.227 RESID 230 (L): C 176.900 176.900 178.358 -1.458 RESID 230 (L): CA 55.620 55.620 55.532 0.088 RESID 230 (L): CB 42.630 42.630 41.691 0.938 RESID 230 (L): H 7.454 7.454 7.877 -0.423 RESID 231 (N): N 119.400 119.400 119.838 -0.438 RESID 231 (N): C 175.300 175.300 175.918 -0.618 RESID 231 (N): CA 53.650 53.650 56.135 -2.485 RESID 231 (N): CB 38.940 38.940 37.996 0.944 RESID 231 (N): H 8.211 8.211 8.023 0.188 RESID 232 (A): N 124.500 124.500 119.563 4.937 RESID 232 (A): C 178.100 178.100 178.058 0.042 RESID 232 (A): CA 53.110 53.110 51.719 1.391 RESID 232 (A): CB 19.340 19.340 18.031 1.309 RESID 232 (A): H 8.103 8.103 7.943 0.160 RESID 233 (S): N 115.200 115.200 115.227 -0.027 RESID 233 (S): C 175.100 175.100 175.578 -0.478 RESID 233 (S): CA 59.280 59.280 61.007 -1.727 RESID 233 (S): CB 64.280 64.280 63.338 0.942 RESID 233 (S): H 8.169 8.169 8.424 -0.255 RESID 234 (Q): N 122.100 122.100 120.577 1.523 RESID 234 (Q): C 176.400 176.400 175.682 0.718 RESID 234 (Q): CA 56.240 56.240 56.057 0.183 RESID 234 (Q): CB 29.490 29.490 30.808 -1.318 RESID 234 (Q): H 8.230 8.230 7.776 0.454 RESID 235 (S): N 117.100 117.100 118.103 -1.003 RESID 235 (S): C 174.900 174.900 174.670 0.230 RESID 235 (S): CA 58.910 58.910 58.920 -0.010 RESID 235 (S): CB 64.510 64.510 62.889 1.621 RESID 235 (S): H 8.229 8.229 8.442 -0.213 RESID 236 (Q): N 122.300 122.300 127.118 -4.818 RESID 236 (Q): C 176.700 176.700 175.438 1.262 RESID 236 (Q): CA 56.610 56.610 55.492 1.118 RESID 236 (Q): CB 29.280 29.280 27.644 1.636 RESID 236 (Q): H 8.372 8.372 8.855 -0.483 RESID 237 (G): N 110.400 110.400 109.019 1.381 RESID 237 (G): C 174.100 174.100 172.963 1.137 RESID 237 (G): CA 45.720 45.720 45.468 0.252 RESID 237 (G): H 8.381 8.381 7.579 0.802 RESID 238 (K): N 120.500 120.500 121.458 -0.958 RESID 238 (K): C 176.600 176.600 175.486 1.114 RESID 238 (K): CA 56.490 56.490 56.029 0.461 RESID 238 (K): CB 33.320 33.320 32.782 0.538 RESID 238 (K): H 7.968 7.968 8.358 -0.390 RESID 239 (R): N 120.900 120.900 125.007 -4.107 RESID 239 (R): CA 56.130 56.130 55.954 0.176 RESID 239 (R): CB 31.560 31.560 30.908 0.652 RESID 239 (R): H 8.159 8.159 8.509 -0.350 RESID 240 (H): C 174.800 174.800 176.518 -1.718 RESID 240 (H): CA 55.740 55.740 58.640 -2.900 RESID 240 (H): CB 29.760 29.760 30.073 -0.313 RESID 241 (D): N 119.800 119.800 119.221 0.579 RESID 241 (D): C 174.700 174.700 176.271 -1.571 RESID 241 (D): CA 55.500 55.500 55.976 -0.476 RESID 241 (D): CB 40.550 40.550 41.217 -0.667 RESID 241 (D): H 9.052 9.052 8.388 0.664 RESID 242 (I): N 115.200 115.200 115.008 0.192 RESID 242 (I): C 175.600 175.600 174.381 1.219 RESID 242 (I): CA 59.090 59.090 59.411 -0.321 RESID 242 (I): CB 43.670 43.670 40.919 2.751 RESID 242 (I): H 7.087 7.087 7.411 -0.324 RESID 243 (I): N 125.100 125.100 126.107 -1.007 RESID 243 (I): C 175.300 175.300 174.263 1.037 RESID 243 (I): CA 60.340 60.340 60.633 -0.293 RESID 243 (I): CB 41.290 41.290 38.423 2.867 RESID 243 (I): H 8.746 8.746 8.526 0.220 RESID 244 (Q): N 128.400 128.400 127.526 0.874 RESID 244 (Q): C 175.300 175.300 174.251 1.049 RESID 244 (Q): CA 56.460 56.460 54.923 1.537 RESID 244 (Q): CB 29.800 29.800 29.812 -0.012 RESID 244 (Q): H 8.768 8.768 8.602 0.166 RESID 245 (L): N 125.500 125.500 123.495 2.005 RESID 245 (L): C 176.200 176.200 176.612 -0.412 RESID 245 (L): CA 53.790 53.790 53.111 0.679 RESID 245 (L): CB 45.100 45.100 44.854 0.246 RESID 245 (L): H 8.640 8.640 8.356 0.284 RESID 246 (G): N 109.700 109.700 105.059 4.641 RESID 246 (G): C 174.200 174.200 174.328 -0.128 RESID 246 (G): CA 44.590 44.590 45.038 -0.448 RESID 246 (G): H 8.424 8.424 8.445 -0.021 RESID 247 (G): N 108.500 108.500 108.657 -0.157 RESID 247 (G): C 176.800 176.800 174.969 1.831 RESID 247 (G): CA 47.500 47.500 44.352 3.148 RESID 247 (G): H 8.666 8.666 7.734 0.932 RESID 248 (E): N 123.700 123.700 121.118 2.582 RESID 248 (E): C 177.300 177.300 176.492 0.808 RESID 248 (E): CA 58.560 58.560 57.501 1.059 RESID 248 (E): CB 29.330 29.330 29.152 0.178 RESID 248 (E): H 9.265 9.265 8.814 0.451 RESID 249 (N): N 116.700 116.700 116.604 0.096 RESID 249 (N): C 175.500 175.500 176.010 -0.510 RESID 249 (N): CA 53.490 53.490 53.559 -0.069 RESID 249 (N): CB 39.390 39.390 38.843 0.547 RESID 249 (N): H 7.963 7.963 7.769 0.194 RESID 250 (L): N 121.100 121.100 119.942 1.158 RESID 250 (L): C 177.100 177.100 178.100 -1.000 RESID 250 (L): CA 58.810 58.810 57.035 1.774 RESID 250 (L): CB 42.220 42.220 41.469 0.750 RESID 250 (L): H 7.104 7.104 7.797 -0.693 RESID 251 (A): N 117.400 117.400 122.393 -4.993 RESID 251 (A): C 179.500 179.500 178.163 1.337 RESID 251 (A): CA 55.340 55.340 54.660 0.680 RESID 251 (A): CB 17.960 17.960 18.389 -0.429 RESID 251 (A): H 8.141 8.141 8.315 -0.174 RESID 252 (A): N 117.400 117.400 118.593 -1.193 RESID 252 (A): C 179.100 179.100 178.325 0.775 RESID 252 (A): CA 53.990 53.990 52.397 1.593 RESID 252 (A): CB 18.970 18.970 18.954 0.016 RESID 252 (A): H 7.375 7.375 8.406 -1.031 RESID 253 (G): N 100.600 100.600 107.903 -7.303 RESID 253 (G): C 172.700 172.700 174.795 -2.095 RESID 253 (G): CA 45.380 45.380 45.022 0.358 RESID 253 (G): H 7.589 7.589 7.555 0.034 RESID 254 (L): N 124.800 124.800 122.823 1.977 RESID 254 (L): C 175.300 175.300 177.581 -2.281 RESID 254 (L): CA 53.020 53.020 54.871 -1.851 RESID 254 (L): CB 39.090 39.090 42.123 -3.033 RESID 254 (L): H 7.202 7.202 7.791 -0.589 RESID 255 (N): N 113.800 113.800 121.477 -7.677 RESID 255 (N): C 176.600 176.600 176.253 0.347 RESID 255 (N): CA 53.420 53.420 53.969 -0.549 RESID 255 (N): CB 37.600 37.600 38.824 -1.224 RESID 255 (N): H 7.701 7.701 8.843 -1.142 RESID 256 (G): N 109.100 109.100 106.634 2.466 RESID 256 (G): C 172.200 172.200 174.582 -2.382 RESID 256 (G): CA 45.790 45.790 45.342 0.448 RESID 256 (G): H 7.856 7.856 8.553 -0.697 RESID 257 (E): N 120.100 120.100 118.733 1.367 RESID 257 (E): C 176.900 176.900 175.589 1.311 RESID 257 (E): CA 57.880 57.880 56.588 1.292 RESID 257 (E): CB 29.760 29.760 30.580 -0.820 RESID 257 (E): H 8.443 8.443 8.644 -0.201 RESID 258 (S): N 107.500 107.500 113.651 -6.151 RESID 258 (S): C 172.500 172.500 172.442 0.058 RESID 258 (S): CA 58.010 58.010 58.553 -0.543 RESID 258 (S): CB 66.360 66.360 63.794 2.566 RESID 258 (S): H 7.176 7.176 8.006 -0.830 RESID 259 (L): N 124.900 124.900 127.569 -2.669 RESID 259 (L): C 173.900 173.900 176.483 -2.583 RESID 259 (L): CA 53.630 53.630 54.372 -0.742 RESID 259 (L): CB 46.240 46.240 42.430 3.810 RESID 259 (L): H 8.969 8.969 8.037 0.932 RESID 260 (F): N 123.700 123.700 123.010 0.690 RESID 260 (F): C 174.200 174.200 176.033 -1.833 RESID 260 (F): CA 56.460 56.460 54.936 1.524 RESID 260 (F): CB 41.560 41.560 40.475 1.085 RESID 260 (F): H 9.295 9.295 8.155 1.140 RESID 261 (L): N 123.900 123.900 120.212 3.688 RESID 261 (L): C 177.600 177.600 177.094 0.506 RESID 261 (L): CA 54.010 54.010 53.191 0.819 RESID 261 (L): CB 41.470 41.470 45.513 -4.043 RESID 261 (L): H 9.034 9.034 8.177 0.857 RESID 262 (F): N 123.800 123.800 122.404 1.396 RESID 262 (F): C 175.500 175.500 175.672 -0.172 RESID 262 (F): CA 58.850 58.850 56.914 1.936 RESID 262 (F): CB 39.930 39.930 38.495 1.435 RESID 262 (F): H 9.338 9.338 9.091 0.247 RESID 263 (A): N 121.900 121.900 124.128 -2.228 RESID 263 (A): C 175.300 175.300 177.025 -1.725 RESID 263 (A): CA 53.630 53.630 52.668 0.962 RESID 263 (A): CB 19.700 19.700 16.808 2.893 RESID 263 (A): H 8.902 8.902 8.307 0.595 RESID 264 (G): N 104.500 104.500 111.524 -7.024 RESID 264 (G): C 171.100 171.100 172.729 -1.629 RESID 264 (G): CA 45.540 45.540 45.057 0.483 RESID 264 (G): H 6.746 6.746 7.871 -1.125 RESID 265 (D): N 122.300 122.300 122.701 -0.401 RESID 265 (D): C 177.300 177.300 177.264 0.036 RESID 265 (D): CA 51.660 51.660 52.775 -1.115 RESID 265 (D): CB 42.840 42.840 42.265 0.575 RESID 265 (D): H 9.052 9.052 8.115 0.937 RESID 266 (Q): N 118.400 118.400 119.620 -1.220 RESID 266 (Q): C 177.600 177.600 177.462 0.138 RESID 266 (Q): CA 58.620 58.620 59.070 -0.450 RESID 266 (Q): CB 28.490 28.490 28.647 -0.157 RESID 266 (Q): H 8.277 8.277 8.605 -0.328 RESID 267 (K): N 117.700 117.700 118.799 -1.099 RESID 267 (K): C 180.400 180.400 178.092 2.308 RESID 267 (K): CA 59.390 59.390 59.559 -0.169 RESID 267 (K): CB 31.440 31.440 31.787 -0.347 RESID 267 (K): H 7.879 7.879 7.922 -0.043 RESID 268 (D): N 121.600 121.600 119.638 1.962 RESID 268 (D): C 177.400 177.400 178.339 -0.939 RESID 268 (D): CA 57.980 57.980 56.977 1.003 RESID 268 (D): CB 41.550 41.550 40.253 1.297 RESID 268 (D): H 7.640 7.640 8.121 -0.481 RESID 269 (A): N 121.700 121.700 121.504 0.196 RESID 269 (A): C 179.000 179.000 178.417 0.583 RESID 269 (A): CA 55.640 55.640 54.929 0.711 RESID 269 (A): CB 17.490 17.490 18.194 -0.704 RESID 269 (A): H 7.370 7.370 7.622 -0.252 RESID 270 (D): N 118.200 118.200 117.997 0.203 RESID 270 (D): C 179.300 179.300 176.516 2.784 RESID 270 (D): CA 57.570 57.570 56.311 1.259 RESID 270 (D): CB 39.860 39.860 40.243 -0.383 RESID 270 (D): H 8.735 8.735 7.963 0.772 RESID 271 (A): N 122.900 122.900 119.881 3.019 RESID 271 (A): C 180.800 180.800 179.319 1.481 RESID 271 (A): CA 55.040 55.040 53.555 1.485 RESID 271 (A): CB 18.300 18.300 19.319 -1.019 RESID 271 (A): H 7.579 7.579 7.033 0.546 RESID 272 (I): N 0.000 0.000 120.479 -120.479 RESID 272 (I): C 178.300 178.300 176.958 1.342 RESID 272 (I): CA 63.880 63.880 64.660 -0.780 RESID 272 (I): CB 35.710 35.710 38.127 -2.417 RESID 272 (I): H 7.340 7.340 8.406 -1.066 RESID 273 (Y): N 116.300 116.300 116.975 -0.675 RESID 273 (Y): C 177.000 177.000 176.786 0.214 RESID 273 (Y): CA 61.100 61.100 58.297 2.803 RESID 273 (Y): CB 37.770 37.770 35.835 1.935 RESID 273 (Y): H 7.509 7.509 7.296 0.213 RESID 274 (A): N 118.600 118.600 121.863 -3.263 RESID 274 (A): C 177.200 177.200 177.184 0.016 RESID 274 (A): CA 52.030 52.030 53.011 -0.981 RESID 274 (A): CB 19.580 19.580 19.413 0.168 RESID 274 (A): H 7.495 7.495 7.827 -0.332 RESID 275 (N): N 119.900 119.900 118.234 1.666 RESID 275 (N): C 175.700 175.700 174.013 1.687 RESID 275 (N): CA 51.030 51.030 51.377 -0.347 RESID 275 (N): CB 38.590 38.590 37.013 1.577 RESID 275 (N): H 7.200 7.200 7.956 -0.756 RESID 276 (P): C 178.900 178.900 178.497 0.403 RESID 276 (P): CA 65.190 65.190 65.465 -0.275 RESID 276 (P): CB 32.440 32.440 32.040 0.400 RESID 277 (L): N 116.700 116.700 117.422 -0.722 RESID 277 (L): C 178.000 178.000 178.895 -0.895 RESID 277 (L): CA 56.630 56.630 57.551 -0.921 RESID 277 (L): CB 41.720 41.720 41.499 0.221 RESID 277 (L): H 7.777 7.777 7.929 -0.152 RESID 278 (L): N 115.100 115.100 116.583 -1.483 RESID 278 (L): C 176.600 176.600 177.877 -1.277 RESID 278 (L): CA 53.200 53.200 54.948 -1.748 RESID 278 (L): CB 40.960 40.960 41.312 -0.352 RESID 278 (L): H 7.485 7.485 7.679 -0.194 RESID 279 (A): N 118.600 118.600 123.084 -4.484 RESID 279 (A): C 177.700 177.700 177.809 -0.109 RESID 279 (A): CA 55.090 55.090 54.367 0.723 RESID 279 (A): CB 19.710 19.710 18.603 1.107 RESID 279 (A): H 6.665 6.665 7.904 -1.239 RESID 280 (H): N 111.600 111.600 115.291 -3.691 RESID 280 (H): C 175.500 175.500 175.212 0.288 RESID 280 (H): CA 55.360 55.360 56.260 -0.900 RESID 280 (H): CB 29.540 29.540 28.644 0.896 RESID 280 (H): H 8.337 8.337 8.187 0.150 RESID 281 (L): N 124.100 124.100 122.524 1.576 RESID 281 (L): C 176.300 176.300 175.872 0.428 RESID 281 (L): CA 53.330 53.330 52.971 0.359 RESID 281 (L): CB 40.490 40.490 41.936 -1.446 RESID 281 (L): H 7.289 7.289 7.446 -0.157 RESID 282 (P): C 178.200 178.200 178.381 -0.181 RESID 282 (P): CA 66.050 66.050 65.689 0.361 RESID 282 (P): CB 32.150 32.150 31.720 0.430 RESID 283 (A): N 116.000 116.000 119.213 -3.213 RESID 283 (A): C 179.000 179.000 179.841 -0.841 RESID 283 (A): CA 55.630 55.630 55.192 0.438 RESID 283 (A): CB 19.490 19.490 18.186 1.304 RESID 283 (A): H 7.969 7.969 8.424 -0.455 RESID 284 (V): N 115.200 115.200 118.486 -3.286 RESID 284 (V): C 180.000 180.000 178.929 1.071 RESID 284 (V): CA 65.640 65.640 65.894 -0.254 RESID 284 (V): CB 32.560 32.560 30.826 1.734 RESID 284 (V): H 6.557 6.557 7.679 -1.122 RESID 285 (Q): N 121.200 121.200 120.439 0.761 RESID 285 (Q): C 178.000 178.000 177.655 0.345 RESID 285 (Q): CA 59.500 59.500 58.797 0.703 RESID 285 (Q): CB 29.080 29.080 28.611 0.469 RESID 285 (Q): H 8.581 8.581 7.816 0.765 RESID 286 (N): N 112.600 112.600 114.003 -1.403 RESID 286 (N): C 174.500 174.500 173.859 0.641 RESID 286 (N): CA 53.160 53.160 52.725 0.435 RESID 286 (N): CB 38.390 38.390 38.734 -0.344 RESID 286 (N): H 8.117 8.117 8.049 0.068 RESID 287 (K): N 118.500 118.500 115.900 2.600 RESID 287 (K): C 176.100 176.100 176.224 -0.124 RESID 287 (K): CA 57.540 57.540 57.304 0.236 RESID 287 (K): CB 28.570 28.570 29.543 -0.973 RESID 287 (K): H 7.724 7.724 7.691 0.033 RESID 288 (Q): N 119.700 119.700 117.162 2.538 RESID 288 (Q): C 173.700 173.700 174.072 -0.372 RESID 288 (Q): CA 52.970 52.970 54.824 -1.854 RESID 288 (Q): CB 28.640 28.640 28.944 -0.304 RESID 288 (Q): H 8.895 8.895 8.426 0.469 RESID 289 (V): N 119.200 119.200 118.929 0.271 RESID 289 (V): C 175.100 175.100 175.101 -0.001 RESID 289 (V): CA 61.600 61.600 60.971 0.629 RESID 289 (V): CB 32.610 32.610 34.254 -1.644 RESID 289 (V): H 6.246 6.246 6.914 -0.668 RESID 290 (Y): N 125.700 125.700 125.469 0.231 RESID 290 (Y): C 174.100 174.100 174.363 -0.263 RESID 290 (Y): CA 56.830 56.830 56.619 0.211 RESID 290 (Y): CB 40.950 40.950 42.776 -1.826 RESID 290 (Y): H 8.682 8.682 9.048 -0.366 RESID 291 (A): N 126.900 126.900 122.048 4.852 RESID 291 (A): C 178.300 178.300 176.753 1.547 RESID 291 (A): CA 51.560 51.560 50.388 1.172 RESID 291 (A): CB 19.670 19.670 21.250 -1.581 RESID 291 (A): H 9.057 9.057 8.653 0.404 RESID 292 (L): N 120.800 120.800 119.820 0.980 RESID 292 (L): C 175.500 175.500 176.225 -0.725 RESID 292 (L): CA 54.880 54.880 54.240 0.640 RESID 292 (L): CB 42.490 42.490 42.284 0.206 RESID 292 (L): H 8.342 8.342 8.923 -0.581 RESID 293 (G): N 107.500 107.500 103.838 3.662 RESID 293 (G): C 177.600 177.600 174.067 3.533 RESID 293 (G): CA 45.110 45.110 44.434 0.676 RESID 293 (G): H 7.973 7.973 7.382 0.591 RESID 294 (T): N 117.800 117.800 116.745 1.055 RESID 294 (T): C 176.400 176.400 176.019 0.381 RESID 294 (T): CA 65.260 65.260 65.224 0.036 RESID 294 (T): CB 68.310 68.310 69.169 -0.859 RESID 294 (T): H 8.808 8.808 8.573 0.235 RESID 295 (E): N 122.100 122.100 119.936 2.164 RESID 295 (E): C 177.700 177.700 176.602 1.098 RESID 295 (E): CA 58.540 58.540 58.327 0.213 RESID 295 (E): CB 29.010 29.010 28.773 0.236 RESID 295 (E): H 10.380 10.380 8.844 1.536 RESID 296 (T): N 103.000 103.000 108.599 -5.599 RESID 296 (T): C 173.600 173.600 174.314 -0.714 RESID 296 (T): CA 62.320 62.320 61.231 1.089 RESID 296 (T): CB 69.170 69.170 67.766 1.404 RESID 296 (T): H 7.062 7.062 7.913 -0.851 RESID 297 (F): N 121.500 121.500 123.077 -1.577 RESID 297 (F): C 174.500 174.500 175.861 -1.361 RESID 297 (F): CA 61.700 61.700 61.030 0.670 RESID 297 (F): CB 39.640 39.640 39.773 -0.133 RESID 297 (F): H 8.108 8.108 7.804 0.304 RESID 298 (R): N 116.800 116.800 119.769 -2.969 RESID 298 (R): C 176.000 176.000 175.098 0.902 RESID 298 (R): CA 54.160 54.160 55.764 -1.603 RESID 298 (R): CB 32.460 32.460 31.093 1.367 RESID 298 (R): H 7.552 7.552 8.245 -0.693 RESID 299 (L): N 125.500 125.500 126.592 -1.092 RESID 299 (L): C 174.800 174.800 174.341 0.459 RESID 299 (L): CA 54.300 54.300 54.010 0.291 RESID 299 (L): CB 41.670 41.670 43.988 -2.318 RESID 299 (L): H 8.903 8.903 8.372 0.531 RESID 300 (D): N 124.600 124.600 122.708 1.892 RESID 300 (D): C 173.400 173.400 175.637 -2.237 RESID 300 (D): CA 51.880 51.880 53.144 -1.264 RESID 300 (D): CB 43.230 43.230 42.671 0.559 RESID 300 (D): H 7.735 7.735 8.635 -0.900 RESID 301 (Y): N 118.100 118.100 121.415 -3.315 RESID 301 (Y): C 175.300 175.300 176.172 -0.872 RESID 301 (Y): CA 61.650 61.650 63.295 -1.645 RESID 301 (Y): CB 38.740 38.740 38.704 0.036 RESID 301 (Y): H 7.943 7.943 8.998 -1.055 RESID 302 (Y): N 112.300 112.300 115.485 -3.185 RESID 302 (Y): C 180.800 180.800 177.622 3.178 RESID 302 (Y): CA 61.970 61.970 60.932 1.038 RESID 302 (Y): CB 37.990 37.990 37.999 -0.009 RESID 302 (Y): H 7.309 7.309 8.119 -0.810 RESID 303 (S): N 119.100 119.100 115.686 3.414 RESID 303 (S): C 176.300 176.300 176.503 -0.203 RESID 303 (S): CA 60.690 60.690 61.520 -0.830 RESID 303 (S): CB 63.180 63.180 62.701 0.479 RESID 303 (S): H 9.411 9.411 9.432 -0.021 RESID 304 (A): N 126.900 126.900 124.957 1.943 RESID 304 (A): C 180.400 180.400 179.366 1.034 RESID 304 (A): CA 56.000 56.000 55.293 0.707 RESID 304 (A): CB 18.040 18.040 17.842 0.198 RESID 304 (A): H 8.860 8.860 7.896 0.964 RESID 305 (M): N 116.600 116.600 117.984 -1.384 RESID 305 (M): C 179.300 179.300 178.815 0.485 RESID 305 (M): CA 57.880 57.880 59.536 -1.656 RESID 305 (M): CB 31.350 31.350 32.141 -0.791 RESID 305 (M): H 7.346 7.346 7.597 -0.251 RESID 306 (Q): N 119.300 119.300 118.821 0.479 RESID 306 (Q): C 179.000 179.000 178.838 0.162 RESID 306 (Q): CA 59.410 59.410 58.886 0.524 RESID 306 (Q): CB 28.450 28.450 28.823 -0.373 RESID 306 (Q): H 7.633 7.633 7.781 -0.148 RESID 308 (L): C 178.700 178.700 178.495 0.205 RESID 308 (L): CA 58.690 58.690 58.423 0.267 RESID 308 (L): CB 41.790 41.790 41.385 0.405 RESID 309 (D): N 119.100 119.100 119.055 0.045 RESID 309 (D): C 179.600 179.600 178.887 0.713 RESID 309 (D): CA 57.830 57.830 57.543 0.287 RESID 309 (D): CB 40.820 40.820 40.335 0.485 RESID 309 (D): H 7.984 7.984 8.031 -0.047 RESID 310 (R): N 121.700 121.700 120.615 1.085 RESID 310 (R): C 178.900 178.900 178.727 0.173 RESID 310 (R): CA 58.590 58.590 59.189 -0.599 RESID 310 (R): CB 29.820 29.820 30.148 -0.329 RESID 310 (R): H 8.463 8.463 7.604 0.859 RESID 311 (L): N 119.200 119.200 119.909 -0.709 RESID 311 (L): C 178.800 178.800 178.724 0.076 RESID 311 (L): CA 58.380 58.380 58.114 0.266 RESID 311 (L): CB 42.340 42.340 41.838 0.502 RESID 311 (L): H 8.489 8.489 8.327 0.162 RESID 312 (K): N 116.500 116.500 118.733 -2.233 RESID 312 (K): C 178.000 178.000 178.405 -0.405 RESID 312 (K): CA 59.250 59.250 59.177 0.073 RESID 312 (K): CB 32.440 32.440 32.490 -0.050 RESID 312 (K): H 7.955 7.955 8.161 -0.205 RESID 313 (A): N 119.500 119.500 120.799 -1.299 RESID 313 (A): C 180.000 180.000 178.647 1.353 RESID 313 (A): CA 53.920 53.920 53.294 0.626 RESID 313 (A): CB 18.800 18.800 19.252 -0.452 RESID 313 (A): H 7.427 7.427 7.735 -0.308 RESID 314 (L): N 119.500 119.500 119.163 0.337 RESID 314 (L): C 177.400 177.400 176.459 0.941 RESID 314 (L): CA 56.770 56.770 57.236 -0.466 RESID 314 (L): CB 43.730 43.730 42.360 1.370 RESID 314 (L): H 7.431 7.431 8.133 -0.702 N HA C CA CB H RESID 26 (W): -3.603 ----- -0.871 0.329 3.239 0.256 RESID 27 (P): ----- ----- 0.008 -0.290 4.946 ----- RESID 28 (R): -3.847 ----- -1.402 0.727 0.764 0.058 RESID 29 (Q): -0.848 ----- 0.591 -1.265 1.429 -0.083 RESID 30 (I): -1.775 ----- 0.635 -0.903 -0.564 1.073 RESID 31 (T): 3.234 ----- 0.733 -1.275 1.043 0.591 RESID 32 (D): 5.720 ----- 1.415 0.815 -0.471 1.408 RESID 33 (S): -4.459 ----- -0.570 0.394 -0.378 -0.222 RESID 34 (R): -2.371 ----- -0.633 -3.645 0.180 0.399 RESID 35 (G): 5.137 ----- -2.256 -0.506 ----- -0.762 RESID 36 (T): 0.131 ----- 0.802 0.026 -0.134 0.590 RESID 37 (H): 0.453 ----- 0.741 -1.315 -2.014 0.359 RESID 38 (T): 4.102 ----- 1.371 2.113 -1.224 1.543 RESID 39 (L): 7.174 ----- 0.098 0.518 -0.878 0.444 RESID 40 (E): -1.591 ----- -0.322 0.291 0.482 0.136 RESID 41 (S): -1.869 ----- -1.492 -0.896 0.614 -0.158 RESID 42 (Q): 3.339 ----- -0.153 -2.026 0.561 -1.261 RESID 43 (P): ----- ----- -0.392 0.764 0.080 ----- RESID 44 (Q): 2.613 ----- -0.635 -1.482 2.917 2.584 RESID 45 (R): 8.187 ----- 0.492 0.058 0.058 2.441 RESID 47 (V): ----- ----- 0.240 -0.240 -0.299 ----- RESID 48 (S): -1.943 ----- 1.687 -2.049 -1.662 -0.748 RESID 49 (T): 4.272 ----- -3.025 0.945 -0.423 -0.315 RESID 50 (S): -0.329 ----- -0.608 -1.990 -0.136 -0.103 RESID 51 (V): 4.974 ----- -2.728 -0.210 -0.094 0.164 RESID 52 (T): 0.569 ----- 3.170 1.166 0.564 -0.167 RESID 53 (L): 1.084 ----- 0.300 -0.762 0.822 -0.540 RESID 54 (T): 1.774 ----- -1.740 -0.659 ----- -0.097 RESID 55 (G): -3.711 ----- -0.198 0.300 ----- -1.283 RESID 56 (S): -0.775 ----- -1.152 1.884 1.964 -1.268 RESID 58 (L): ----- ----- 1.785 -0.268 -0.096 ----- RESID 59 (A): -0.812 ----- -0.320 0.732 -0.314 -0.320 RESID 60 (I): ----- ----- -1.547 0.145 0.452 ----- RESID 61 (D): -2.351 ----- 0.255 0.044 -0.026 -0.006 RESID 62 (A): -3.035 ----- 2.691 -0.841 -1.633 0.093 RESID 63 (P): ----- ----- -2.116 0.614 -4.700 ----- RESID 64 (V): 3.895 ----- -0.934 -1.447 -0.809 0.435 RESID 65 (I): -4.243 ----- 1.545 -3.015 1.275 0.234 RESID 66 (A): 4.303 ----- -0.077 0.635 1.465 -0.431 RESID 67 (S): -5.060 ----- 2.258 -2.085 -2.419 0.234 RESID 68 (G): 5.625 ----- -1.609 2.073 ----- -1.041 RESID 69 (A): -3.687 ----- 2.668 -1.176 2.065 -0.824 RESID 70 (T): 5.469 ----- -2.715 -3.154 1.050 1.008 RESID 71 (T): -5.218 ----- -0.410 0.039 1.550 -0.814 RESID 72 (P): ----- ----- 0.976 -0.197 0.721 ----- RESID 73 (N): -4.576 ----- -1.616 0.736 -1.459 -0.708 RESID 74 (N): ----- ----- -1.144 5.015 0.346 ----- RESID 75 (R): -6.296 ----- -0.161 1.091 1.044 -0.292 RESID 76 (V): -10.329 ----- 0.051 -2.907 2.035 -0.836 RESID 77 (A): 5.900 ----- -1.094 -1.053 5.111 0.717 RESID 78 (D): 1.776 ----- 2.210 -0.940 0.365 0.429 RESID 79 (D): 0.850 ----- 0.287 1.090 0.884 -0.148 RESID 80 (Q): -4.361 ----- -1.174 -1.516 2.413 -0.174 RESID 81 (G): 0.014 ----- 0.861 0.957 ----- -0.638 RESID 82 (F): 0.607 ----- -0.440 -4.233 -2.589 0.316 RESID 83 (L): ----- ----- 0.951 0.344 -3.472 ----- RESID 84 (R): 0.316 ----- 0.765 3.455 1.642 -0.687 RESID 85 (Q): -2.585 ----- -2.701 0.229 -3.154 1.870 RESID 86 (W): -6.381 ----- -1.853 -5.115 -2.155 -1.951 RESID 87 (S): 3.921 ----- 1.447 0.524 ----- -1.279 RESID 88 (K): -3.909 ----- 0.174 0.468 -0.092 0.954 RESID 89 (V): 6.311 ----- 0.797 0.090 0.512 -0.608 RESID 90 (A): -0.451 ----- 1.053 1.319 1.312 0.654 RESID 91 (K): -0.425 ----- 3.017 0.987 -0.013 -0.277 RESID 92 (E): 5.086 ----- 1.499 2.283 -0.682 0.473 RESID 93 (R): -3.128 ----- 0.335 0.787 -1.533 -0.280 RESID 94 (K): 1.840 ----- 0.679 -0.655 -1.407 -0.712 RESID 95 (L): -1.110 ----- 0.291 0.744 1.024 0.071 RESID 96 (Q): 0.418 ----- -0.961 0.638 0.327 -0.877 RESID 97 (R): 6.463 ----- 0.572 -1.052 1.625 0.497 RESID 98 (L): 3.496 ----- -0.417 2.429 3.329 -0.446 RESID 99 (Y): -2.097 ----- -1.394 -0.819 -1.014 -1.361 RESID 100 (I): -6.223 ----- -0.339 -1.796 3.584 0.104 RESID 101 (G): 0.862 ----- -0.713 2.210 ----- -0.253 RESID 102 (E): 10.894 ----- -0.785 0.468 2.027 0.284 RESID 103 (P): ----- ----- -0.826 -1.369 -0.077 ----- RESID 104 (S): -5.228 ----- 0.136 -3.129 -0.040 -2.550 RESID 105 (A): 0.209 ----- 0.330 0.735 -0.901 0.337 RESID 106 (E): 0.372 ----- 0.439 1.245 -0.474 0.144 RESID 107 (A): -0.504 ----- 0.359 -0.279 0.783 -0.141 RESID 108 (V): -1.963 ----- -0.803 0.959 -0.299 -0.506 RESID 109 (A): -1.430 ----- 1.857 0.617 -0.143 0.150 RESID 110 (A): -0.746 ----- 0.256 -0.252 -0.031 -0.313 RESID 111 (Q): -1.034 ----- -1.048 0.924 -0.208 -0.297 RESID 112 (M): -6.172 ----- 0.066 0.367 -1.444 -0.067 RESID 113 (P): ----- ----- 0.440 0.240 0.364 ----- RESID 114 (D): -2.129 ----- -0.036 -2.109 -1.897 0.614 RESID 115 (L): ----- ----- 0.599 -1.328 ----- ----- RESID 116 (I): -2.759 ----- ----- 0.139 ----- 1.311 RESID 118 (I): ----- ----- -1.049 0.465 1.209 ----- RESID 119 (S): -0.090 ----- 0.535 -0.563 0.675 1.027 RESID 120 (A): 1.558 ----- -0.534 -0.040 1.581 -0.571 RESID 121 (T): -4.059 ----- -0.115 -2.458 1.600 -0.223 RESID 122 (G): -6.526 ----- 3.067 -0.757 ----- 0.161 RESID 123 (G): ----- ----- -0.216 1.040 ----- ----- RESID 124 (D): -2.236 ----- 1.159 -0.605 0.064 0.894 RESID 125 (S): -4.029 ----- 1.718 0.088 0.117 -1.115 RESID 126 (A): 4.811 ----- -1.961 -2.363 -2.233 0.232 RESID 127 (L): -0.017 ----- 0.554 1.466 1.228 -0.796 RESID 128 (A): 3.458 ----- 0.773 0.839 -0.497 1.295 RESID 129 (L): 0.641 ----- -0.873 -1.284 -0.404 0.357 RESID 130 (Y): -0.828 ----- 0.376 1.456 1.043 -1.090 RESID 131 (D): 1.188 ----- -0.128 0.588 0.300 0.911 RESID 132 (Q): -1.050 ----- 0.295 0.163 0.602 -0.160 RESID 133 (L): -0.468 ----- -0.706 0.230 -0.805 -0.358 RESID 134 (S): -3.071 ----- -0.320 0.255 0.741 -0.320 RESID 135 (T): -4.893 ----- -1.313 -2.081 0.660 -0.603 RESID 136 (I): 3.905 ----- 0.227 -0.088 0.302 0.340 RESID 137 (A): 1.868 ----- -1.678 -0.097 -0.178 -0.431 RESID 138 (P): ----- ----- -1.507 1.110 0.066 ----- RESID 139 (T): 2.104 ----- -0.052 -1.557 1.866 -0.166 RESID 140 (L): ----- ----- 0.616 -0.802 0.692 ----- RESID 141 (I): -2.409 ----- 1.145 -0.962 1.001 1.428 RESID 142 (I): 2.092 ----- 0.231 -1.942 -2.389 0.122 RESID 143 (N): 4.967 ----- 0.478 -1.912 0.080 0.730 RESID 144 (Y): -5.762 ----- 1.742 -3.667 -0.192 0.048 RESID 145 (D): 0.863 ----- 1.750 -0.197 3.349 0.446 RESID 146 (D): 3.913 ----- -0.096 -0.358 -1.619 -1.046 RESID 147 (K): -5.679 ----- -0.264 -1.538 -1.847 -0.542 RESID 148 (S): -0.419 ----- -0.398 -0.065 0.726 0.204 RESID 149 (W): 1.680 ----- 2.076 1.290 -0.714 -0.139 RESID 150 (Q): 3.806 ----- 0.095 3.497 -1.113 1.565 RESID 151 (S): 1.126 ----- 0.582 0.582 0.713 0.087 RESID 152 (L): 2.559 ----- 0.551 0.402 0.290 0.054 RESID 153 (L): 0.547 ----- 1.043 1.431 -0.094 0.942 RESID 154 (T): 3.509 ----- 0.310 1.313 0.543 0.126 RESID 155 (Q): 3.488 ----- 1.193 1.370 0.273 0.336 RESID 156 (L): ----- ----- 1.636 0.619 -0.128 ----- RESID 157 (G): 5.789 ----- -0.579 1.788 ----- 1.209 RESID 158 (E): 4.809 ----- 0.646 1.250 0.317 0.015 RESID 160 (T): ----- ----- 2.293 -1.163 2.671 ----- RESID 161 (G): -0.309 ----- 0.443 1.253 ----- -0.875 RESID 162 (H): 4.889 ----- -2.180 -0.529 -2.995 0.675 RESID 163 (E): 1.789 ----- 2.330 1.429 -0.440 1.547 RESID 164 (K): 0.234 ----- -0.091 -0.453 0.309 0.397 RESID 165 (Q): 2.189 ----- 0.670 2.030 -0.266 -0.482 RESID 166 (A): -1.342 ----- -1.426 1.317 0.228 -0.155 RESID 167 (A): -3.032 ----- 1.894 -0.161 -0.307 -1.105 RESID 168 (E): 1.530 ----- 0.471 -0.006 0.453 0.325 RESID 170 (I): ----- ----- -0.004 1.579 1.355 ----- RESID 171 (A): -2.498 ----- 1.362 -0.349 0.145 -0.783 RESID 172 (Q): 2.581 ----- 0.619 0.712 -0.257 0.633 RESID 173 (F): -0.121 ----- -1.006 1.603 0.361 -0.301 RESID 174 (D): 0.893 ----- 1.420 0.548 -0.095 -0.268 RESID 175 (K): 1.069 ----- 1.165 -0.018 0.316 -0.060 RESID 176 (Q): 2.098 ----- 0.771 -0.478 -0.534 0.342 RESID 177 (L): 5.987 ----- -0.274 2.650 -0.160 1.196 RESID 178 (A): -1.055 ----- 1.371 0.192 0.089 -0.552 RESID 179 (A): -0.787 ----- 0.717 0.340 -0.408 0.043 RESID 180 (A): -0.014 ----- 0.098 0.750 -0.269 0.166 RESID 181 (K): 0.163 ----- -0.099 0.625 0.705 0.030 RESID 182 (E): -2.146 ----- -0.140 0.750 1.081 -0.579 RESID 183 (Q): -0.693 ----- 1.021 0.232 0.418 -0.190 RESID 184 (I): 1.933 ----- 0.957 3.255 0.344 0.287 RESID 185 (K): 4.769 ----- -0.030 -0.570 -2.917 0.829 RESID 186 (L): -1.041 ----- -0.208 2.350 0.382 -0.430 RESID 188 (P): ----- ----- -1.450 1.470 0.996 ----- RESID 189 (Q): 0.239 ----- 1.872 -2.384 0.951 -0.162 RESID 190 (P): ----- ----- -0.051 0.354 2.628 ----- RESID 191 (V): -8.975 ----- 0.328 0.217 0.342 0.701 RESID 192 (T): 7.324 ----- 0.210 3.518 0.291 0.135 RESID 193 (A): 9.914 ----- -0.006 -0.550 -0.308 1.608 RESID 194 (I): -2.069 ----- 2.898 -0.463 1.807 0.730 RESID 195 (V): -4.240 ----- 2.135 1.803 0.095 -0.171 RESID 196 (Y): 2.733 ----- 0.552 -0.421 1.045 1.003 RESID 197 (T): 1.493 ----- 0.926 0.114 -3.047 0.431 RESID 198 (A): -0.293 ----- 1.204 1.171 0.086 -0.323 RESID 199 (A): -4.791 ----- -1.017 -0.501 0.399 0.300 RESID 200 (A): -3.834 ----- -0.644 -0.785 1.324 -1.456 RESID 201 (H): 0.383 ----- -0.499 0.378 -0.433 -0.204 RESID 202 (S): -3.977 ----- 0.042 -1.073 -0.136 -0.692 RESID 203 (A): -2.936 ----- -0.384 -0.539 2.304 0.313 RESID 204 (N): 0.058 ----- -0.160 -0.556 -2.091 0.099 RESID 205 (L): 5.468 ----- 0.131 0.855 1.521 1.652 RESID 206 (W): 1.658 ----- 0.652 -0.751 -1.135 0.634 RESID 207 (T): 1.779 ----- 2.813 0.884 -1.859 -0.111 RESID 208 (P): ----- ----- -0.852 0.725 -0.215 ----- RESID 209 (E): -2.739 ----- 0.297 0.072 -0.386 -0.352 RESID 210 (S): 0.717 ----- -1.625 -1.101 2.847 0.222 RESID 211 (A): -2.189 ----- 0.748 0.087 -0.229 -0.150 RESID 212 (Q): 0.577 ----- -0.914 2.446 -0.328 0.013 RESID 213 (G): -0.152 ----- -0.918 0.696 ----- -0.251 RESID 214 (Q): -0.771 ----- 0.613 0.294 0.417 0.415 RESID 215 (M): -1.424 ----- -0.365 0.117 -0.794 -0.304 RESID 216 (L): -3.000 ----- 0.870 0.512 -1.451 -0.453 RESID 217 (E): 1.348 ----- 2.968 1.288 -0.269 0.216 RESID 218 (Q): 5.218 ----- -0.632 1.016 -0.265 0.545 RESID 219 (L): 1.143 ----- -2.286 -1.261 1.440 -0.306 RESID 220 (G): 1.932 ----- 1.774 0.064 ----- -0.381 RESID 221 (F): 0.171 ----- 0.864 1.932 -3.850 0.227 RESID 222 (T): 1.598 ----- 0.515 0.600 1.601 0.395 RESID 223 (L): 1.210 ----- 1.655 1.357 -1.129 1.062 RESID 224 (A): -1.329 ----- 1.538 1.460 -2.172 0.975 RESID 225 (K): 2.235 ----- 0.611 0.024 0.166 0.239 RESID 226 (L): -1.808 ----- -0.108 -0.518 0.476 0.112 RESID 227 (P): ----- ----- -0.271 -0.033 0.173 ----- RESID 228 (A): 0.048 ----- 1.016 0.706 0.006 -0.099 RESID 229 (G): 0.211 ----- -0.990 0.610 ----- 0.469 RESID 230 (L): -1.227 ----- -1.458 0.088 0.938 -0.423 RESID 231 (N): -0.438 ----- -0.618 -2.485 0.944 0.188 RESID 232 (A): 4.937 ----- 0.042 1.391 1.309 0.160 RESID 233 (S): -0.027 ----- -0.478 -1.727 0.942 -0.255 RESID 234 (Q): 1.523 ----- 0.718 0.183 -1.318 0.454 RESID 235 (S): -1.003 ----- 0.230 -0.010 1.621 -0.213 RESID 236 (Q): -4.818 ----- 1.262 1.118 1.636 -0.483 RESID 237 (G): 1.381 ----- 1.137 0.252 ----- 0.802 RESID 238 (K): -0.958 ----- 1.114 0.461 0.538 -0.390 RESID 239 (R): -4.107 ----- ----- 0.176 0.652 -0.350 RESID 240 (H): ----- ----- -1.718 -2.900 -0.313 ----- RESID 241 (D): 0.579 ----- -1.571 -0.476 -0.667 0.664 RESID 242 (I): 0.192 ----- 1.219 -0.321 2.751 -0.324 RESID 243 (I): -1.007 ----- 1.037 -0.293 2.867 0.220 RESID 244 (Q): 0.874 ----- 1.049 1.537 -0.012 0.166 RESID 245 (L): 2.005 ----- -0.412 0.679 0.246 0.284 RESID 246 (G): 4.641 ----- -0.128 -0.448 ----- -0.021 RESID 247 (G): -0.157 ----- 1.831 3.148 ----- 0.932 RESID 248 (E): 2.582 ----- 0.808 1.059 0.178 0.451 RESID 249 (N): 0.096 ----- -0.510 -0.069 0.547 0.194 RESID 250 (L): 1.158 ----- -1.000 1.774 0.750 -0.693 RESID 251 (A): -4.993 ----- 1.337 0.680 -0.429 -0.174 RESID 252 (A): -1.193 ----- 0.775 1.593 0.016 -1.031 RESID 253 (G): -7.303 ----- -2.095 0.358 ----- 0.034 RESID 254 (L): 1.977 ----- -2.281 -1.851 -3.033 -0.589 RESID 255 (N): -7.677 ----- 0.347 -0.549 -1.224 -1.142 RESID 256 (G): 2.466 ----- -2.382 0.448 ----- -0.697 RESID 257 (E): 1.367 ----- 1.311 1.292 -0.820 -0.201 RESID 258 (S): -6.151 ----- 0.058 -0.543 2.566 -0.830 RESID 259 (L): -2.669 ----- -2.583 -0.742 3.810 0.932 RESID 260 (F): 0.690 ----- -1.833 1.524 1.085 1.140 RESID 261 (L): 3.688 ----- 0.506 0.819 -4.043 0.857 RESID 262 (F): 1.396 ----- -0.172 1.936 1.435 0.247 RESID 263 (A): -2.228 ----- -1.725 0.962 2.893 0.595 RESID 264 (G): -7.024 ----- -1.629 0.483 ----- -1.125 RESID 265 (D): -0.401 ----- 0.036 -1.115 0.575 0.937 RESID 266 (Q): -1.220 ----- 0.138 -0.450 -0.157 -0.328 RESID 267 (K): -1.099 ----- 2.308 -0.169 -0.347 -0.043 RESID 268 (D): 1.962 ----- -0.939 1.003 1.297 -0.481 RESID 269 (A): 0.196 ----- 0.583 0.711 -0.704 -0.252 RESID 270 (D): 0.203 ----- 2.784 1.259 -0.383 0.772 RESID 271 (A): 3.019 ----- 1.481 1.485 -1.019 0.546 RESID 272 (I): -120.479 ----- 1.342 -0.780 -2.417 -1.066 RESID 273 (Y): -0.675 ----- 0.214 2.803 1.935 0.213 RESID 274 (A): -3.263 ----- 0.016 -0.981 0.168 -0.332 RESID 275 (N): 1.666 ----- 1.687 -0.347 1.577 -0.756 RESID 276 (P): ----- ----- 0.403 -0.275 0.400 ----- RESID 277 (L): -0.722 ----- -0.895 -0.921 0.221 -0.152 RESID 278 (L): -1.483 ----- -1.277 -1.748 -0.352 -0.194 RESID 279 (A): -4.484 ----- -0.109 0.723 1.107 -1.239 RESID 280 (H): -3.691 ----- 0.288 -0.900 0.896 0.150 RESID 281 (L): 1.576 ----- 0.428 0.359 -1.446 -0.157 RESID 282 (P): ----- ----- -0.181 0.361 0.430 ----- RESID 283 (A): -3.213 ----- -0.841 0.438 1.304 -0.455 RESID 284 (V): -3.286 ----- 1.071 -0.254 1.734 -1.122 RESID 285 (Q): 0.761 ----- 0.345 0.703 0.469 0.765 RESID 286 (N): -1.403 ----- 0.641 0.435 -0.344 0.068 RESID 287 (K): 2.600 ----- -0.124 0.236 -0.973 0.033 RESID 288 (Q): 2.538 ----- -0.372 -1.854 -0.304 0.469 RESID 289 (V): 0.271 ----- -0.001 0.629 -1.644 -0.668 RESID 290 (Y): 0.231 ----- -0.263 0.211 -1.826 -0.366 RESID 291 (A): 4.852 ----- 1.547 1.172 -1.581 0.404 RESID 292 (L): 0.980 ----- -0.725 0.640 0.206 -0.581 RESID 293 (G): 3.662 ----- 3.533 0.676 ----- 0.591 RESID 294 (T): 1.055 ----- 0.381 0.036 -0.859 0.235 RESID 295 (E): 2.164 ----- 1.098 0.213 0.236 1.536 RESID 296 (T): -5.599 ----- -0.714 1.089 1.404 -0.851 RESID 297 (F): -1.577 ----- -1.361 0.670 -0.133 0.304 RESID 298 (R): -2.969 ----- 0.902 -1.603 1.367 -0.693 RESID 299 (L): -1.092 ----- 0.459 0.291 -2.318 0.531 RESID 300 (D): 1.892 ----- -2.237 -1.264 0.559 -0.900 RESID 301 (Y): -3.315 ----- -0.872 -1.645 0.036 -1.055 RESID 302 (Y): -3.185 ----- 3.178 1.038 -0.009 -0.810 RESID 303 (S): 3.414 ----- -0.203 -0.830 0.479 -0.021 RESID 304 (A): 1.943 ----- 1.034 0.707 0.198 0.964 RESID 305 (M): -1.384 ----- 0.485 -1.656 -0.791 -0.251 RESID 306 (Q): 0.479 ----- 0.162 0.524 -0.373 -0.148 RESID 308 (L): ----- ----- 0.205 0.267 0.405 ----- RESID 309 (D): 0.045 ----- 0.713 0.287 0.485 -0.047 RESID 310 (R): 1.085 ----- 0.173 -0.599 -0.329 0.859 RESID 311 (L): -0.709 ----- 0.076 0.266 0.502 0.162 RESID 312 (K): -2.233 ----- -0.405 0.073 -0.050 -0.205 RESID 313 (A): -1.299 ----- 1.353 0.626 -0.452 -0.308 RESID 314 (L): 0.337 ----- 0.941 -0.466 1.370 -0.702 DATA CS_STAT_INFO N RMS: 8.230 ppm Count: 256 Average Difference: 0.469 +/- 8.232 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.226 ppm Count: 281 Average Difference: -0.160 +/- 1.217 ppm DATA CS_STAT_INFO CA RMS: 1.341 ppm Count: 283 Average Difference: -0.102 +/- 1.339 ppm DATA CS_STAT_INFO CB RMS: 1.425 ppm Count: 260 Average Difference: -0.155 +/- 1.419 ppm DATA CS_STAT_INFO HN RMS: 0.714 ppm Count: 256 Average Difference: -0.018 +/- 0.716 ppm ############################################################################ For conformer 8: Atom Original Corrected SPARTA Difference RESID 25 (D): N 120.600 120.600 120.343 0.257 RESID 25 (D): C 174.400 174.400 175.342 -0.942 RESID 25 (D): CA 55.230 55.230 53.148 2.082 RESID 25 (D): CB 41.340 41.340 41.708 -0.368 RESID 25 (D): H 8.275 8.275 8.094 0.181 RESID 26 (W): N 120.100 120.100 123.433 -3.333 RESID 26 (W): C 174.200 174.200 175.083 -0.883 RESID 26 (W): CA 55.330 55.330 54.984 0.346 RESID 26 (W): CB 31.090 31.090 27.849 3.240 RESID 26 (W): H 7.788 7.788 7.565 0.223 RESID 27 (P): C 175.900 175.900 175.900 0.000 RESID 27 (P): CA 62.800 62.800 63.101 -0.301 RESID 27 (P): CB 37.260 37.260 32.312 4.948 RESID 28 (R): N 118.000 118.000 121.871 -3.871 RESID 28 (R): C 173.700 173.700 175.102 -1.402 RESID 28 (R): CA 55.160 55.160 54.424 0.736 RESID 28 (R): CB 33.430 33.430 32.664 0.766 RESID 28 (R): H 8.686 8.686 8.608 0.078 RESID 29 (Q): N 120.800 120.800 121.663 -0.863 RESID 29 (Q): C 175.500 175.500 174.913 0.587 RESID 29 (Q): CA 54.780 54.780 56.044 -1.264 RESID 29 (Q): CB 30.700 30.700 29.249 1.451 RESID 29 (Q): H 8.506 8.506 8.584 -0.078 RESID 30 (I): N 124.300 124.300 126.095 -1.795 RESID 30 (I): C 175.700 175.700 175.129 0.571 RESID 30 (I): CA 58.520 58.520 59.445 -0.925 RESID 30 (I): CB 40.680 40.680 41.156 -0.476 RESID 30 (I): H 9.002 9.002 7.918 1.084 RESID 31 (T): N 125.200 125.200 121.990 3.210 RESID 31 (T): C 174.400 174.400 173.666 0.734 RESID 31 (T): CA 62.150 62.150 63.473 -1.323 RESID 31 (T): CB 70.640 70.640 69.586 1.054 RESID 31 (T): H 8.989 8.989 8.400 0.589 RESID 32 (D): N 129.500 129.500 123.830 5.670 RESID 32 (D): C 177.400 177.400 175.987 1.413 RESID 32 (D): CA 52.630 52.630 51.821 0.809 RESID 32 (D): CB 42.950 42.950 43.433 -0.483 RESID 32 (D): H 9.389 9.389 7.984 1.405 RESID 33 (S): N 111.900 111.900 116.338 -4.438 RESID 33 (S): C 175.600 175.600 176.163 -0.563 RESID 33 (S): CA 60.920 60.920 60.524 0.396 RESID 33 (S): CB 63.430 63.430 63.806 -0.376 RESID 33 (S): H 8.075 8.075 8.293 -0.218 RESID 34 (R): N 120.600 120.600 122.987 -2.387 RESID 34 (R): C 176.100 176.100 176.732 -0.632 RESID 34 (R): CA 55.020 55.020 58.681 -3.661 RESID 34 (R): CB 30.850 30.850 30.671 0.179 RESID 34 (R): H 8.433 8.433 7.961 0.472 RESID 35 (G): N 108.900 108.900 103.730 5.170 RESID 35 (G): C 171.200 171.200 173.450 -2.250 RESID 35 (G): CA 45.060 45.060 45.562 -0.502 RESID 35 (G): H 7.837 7.837 8.594 -0.757 RESID 36 (T): N 116.300 116.300 116.157 0.143 RESID 36 (T): C 173.800 173.800 173.020 0.780 RESID 36 (T): CA 62.670 62.670 62.644 0.026 RESID 36 (T): CB 70.000 70.000 70.083 -0.083 RESID 36 (T): H 8.192 8.192 7.610 0.582 RESID 37 (H): N 125.800 125.800 125.313 0.487 RESID 37 (H): C 174.000 174.000 173.282 0.718 RESID 37 (H): CA 54.060 54.060 55.337 -1.277 RESID 37 (H): CB 31.020 31.020 33.042 -2.022 RESID 37 (H): H 8.986 8.986 8.625 0.361 RESID 38 (T): N 121.500 121.500 117.025 4.475 RESID 38 (T): C 174.200 174.200 172.805 1.395 RESID 38 (T): CA 63.190 63.190 61.070 2.120 RESID 38 (T): CB 70.080 70.080 71.332 -1.252 RESID 38 (T): H 9.101 9.101 7.487 1.614 RESID 39 (L): N 129.600 129.600 122.370 7.230 RESID 39 (L): C 176.900 176.900 176.802 0.098 RESID 39 (L): CA 53.990 53.990 53.476 0.514 RESID 39 (L): CB 43.160 43.160 44.090 -0.930 RESID 39 (L): H 9.145 9.145 8.668 0.477 RESID 40 (E): N 124.300 124.300 125.947 -1.647 RESID 40 (E): C 175.600 175.600 175.922 -0.322 RESID 40 (E): CA 59.420 59.420 59.117 0.303 RESID 40 (E): CB 30.710 30.710 30.223 0.487 RESID 40 (E): H 9.164 9.164 9.029 0.135 RESID 41 (S): N 108.300 108.300 110.120 -1.820 RESID 41 (S): C 171.700 171.700 173.179 -1.479 RESID 41 (S): CA 56.270 56.270 57.148 -0.878 RESID 41 (S): CB 65.420 65.420 64.819 0.601 RESID 41 (S): H 7.326 7.326 7.482 -0.156 RESID 42 (Q): N 123.900 123.900 120.600 3.300 RESID 42 (Q): C 174.600 174.600 174.747 -0.147 RESID 42 (Q): CA 53.730 53.730 55.763 -2.033 RESID 42 (Q): CB 28.470 28.470 27.915 0.555 RESID 42 (Q): H 7.339 7.339 8.603 -1.264 RESID 43 (P): C 176.300 176.300 176.652 -0.352 RESID 43 (P): CA 64.080 64.080 63.290 0.790 RESID 43 (P): CB 32.510 32.510 32.421 0.089 RESID 44 (Q): N 125.100 125.100 122.486 2.614 RESID 44 (Q): C 175.400 175.400 176.009 -0.609 RESID 44 (Q): CA 55.780 55.780 57.287 -1.507 RESID 44 (Q): CB 32.660 32.660 29.797 2.863 RESID 44 (Q): H 11.160 11.160 8.524 2.636 RESID 45 (R): N 125.700 125.700 117.398 8.302 RESID 45 (R): C 174.600 174.600 174.112 0.488 RESID 45 (R): CA 55.310 55.310 55.211 0.099 RESID 45 (R): CB 33.070 33.070 33.110 -0.040 RESID 45 (R): H 10.010 10.010 7.548 2.462 RESID 47 (V): C 174.700 174.700 174.376 0.324 RESID 47 (V): CA 60.970 60.970 61.229 -0.259 RESID 47 (V): CB 34.140 34.140 34.270 -0.130 RESID 48 (S): N 118.300 118.300 120.382 -2.082 RESID 48 (S): C 175.500 175.500 173.405 2.095 RESID 48 (S): CA 55.700 55.700 57.459 -1.759 RESID 48 (S): CB 64.750 64.750 65.876 -1.126 RESID 48 (S): H 7.852 7.852 8.464 -0.612 RESID 49 (T): N 116.800 116.800 111.452 5.348 RESID 49 (T): C 171.500 171.500 174.258 -2.758 RESID 49 (T): CA 62.400 62.400 61.517 0.883 RESID 49 (T): CB 69.320 69.320 69.567 -0.247 RESID 49 (T): H 8.283 8.283 8.377 -0.094 RESID 50 (S): N 116.200 116.200 116.721 -0.521 RESID 50 (S): C 174.600 174.600 175.151 -0.551 RESID 50 (S): CA 54.640 54.640 56.703 -2.062 RESID 50 (S): CB 64.000 64.000 63.992 0.008 RESID 50 (S): H 7.627 7.627 7.734 -0.107 RESID 51 (V): N 134.300 134.300 129.371 4.929 RESID 51 (V): C 175.100 175.100 177.820 -2.720 RESID 51 (V): CA 65.620 65.620 65.848 -0.228 RESID 51 (V): CB 31.790 31.790 31.887 -0.097 RESID 51 (V): H 9.218 9.218 9.051 0.167 RESID 52 (T): N 117.000 117.000 116.423 0.577 RESID 52 (T): C 179.700 179.700 176.530 3.170 RESID 52 (T): CA 67.390 67.390 66.232 1.158 RESID 52 (T): CB 69.130 69.130 68.566 0.564 RESID 52 (T): H 7.841 7.841 8.013 -0.172 RESID 53 (L): N 123.400 123.400 122.303 1.097 RESID 53 (L): C 178.700 178.700 178.390 0.310 RESID 53 (L): CA 57.460 57.460 58.209 -0.749 RESID 53 (L): CB 42.610 42.610 41.795 0.815 RESID 53 (L): H 8.092 8.092 8.624 -0.532 RESID 54 (T): N 117.500 117.500 115.731 1.769 RESID 54 (T): C 174.900 174.900 176.630 -1.730 RESID 54 (T): CA 67.070 67.070 67.745 -0.675 RESID 54 (T): H 8.039 8.039 8.128 -0.089 RESID 55 (G): N 105.500 105.500 109.219 -3.719 RESID 55 (G): C 175.600 175.600 175.813 -0.213 RESID 55 (G): CA 47.260 47.260 46.969 0.291 RESID 55 (G): H 6.591 6.591 7.859 -1.268 RESID 56 (S): N 117.000 117.000 117.755 -0.755 RESID 56 (S): C 175.600 175.600 176.751 -1.151 RESID 56 (S): CA 63.400 63.400 61.559 1.841 RESID 56 (S): CB 65.060 65.060 63.099 1.961 RESID 56 (S): H 6.709 6.709 7.947 -1.238 RESID 58 (L): C 181.200 181.200 179.427 1.773 RESID 58 (L): CA 57.480 57.480 57.737 -0.258 RESID 58 (L): CB 40.810 40.810 40.925 -0.115 RESID 59 (A): N 122.100 122.100 122.889 -0.789 RESID 59 (A): C 178.500 178.500 178.765 -0.265 RESID 59 (A): CA 55.540 55.540 54.805 0.735 RESID 59 (A): CB 18.440 18.440 18.767 -0.327 RESID 59 (A): H 7.797 7.797 8.115 -0.318 RESID 60 (I): C 172.700 172.700 174.233 -1.533 RESID 60 (I): CA 60.390 60.390 60.193 0.197 RESID 60 (I): CB 37.930 37.930 37.536 0.394 RESID 61 (D): N 116.200 116.200 118.743 -2.543 RESID 61 (D): C 174.800 174.800 174.574 0.226 RESID 61 (D): CA 55.850 55.850 55.800 0.050 RESID 61 (D): CB 38.930 38.930 38.978 -0.048 RESID 61 (D): H 7.736 7.736 7.744 -0.008 RESID 62 (A): N 118.900 118.900 122.203 -3.303 RESID 62 (A): C 176.800 176.800 174.107 2.693 RESID 62 (A): CA 50.040 50.040 50.889 -0.849 RESID 62 (A): CB 17.940 17.940 19.594 -1.654 RESID 62 (A): H 7.820 7.820 7.711 0.109 RESID 63 (P): C 173.600 173.600 175.712 -2.112 RESID 63 (P): CA 63.250 63.250 62.605 0.645 RESID 63 (P): CB 27.640 27.640 32.355 -4.715 RESID 64 (V): N 123.100 123.100 119.317 3.783 RESID 64 (V): C 174.800 174.800 175.718 -0.918 RESID 64 (V): CA 58.420 58.420 59.865 -1.445 RESID 64 (V): CB 33.300 33.300 34.055 -0.755 RESID 64 (V): H 8.299 8.299 7.868 0.431 RESID 65 (I): N 122.000 122.000 126.409 -4.409 RESID 65 (I): C 177.100 177.100 175.572 1.528 RESID 65 (I): CA 61.010 61.010 64.035 -3.025 RESID 65 (I): CB 39.480 39.480 38.211 1.269 RESID 65 (I): H 8.589 8.589 8.333 0.256 RESID 66 (A): N 120.700 120.700 116.480 4.220 RESID 66 (A): C 175.100 175.100 175.229 -0.129 RESID 66 (A): CA 51.300 51.300 50.612 0.688 RESID 66 (A): CB 22.980 22.980 21.532 1.448 RESID 66 (A): H 7.246 7.246 7.688 -0.442 RESID 67 (S): N 111.700 111.700 116.811 -5.111 RESID 67 (S): C 176.500 176.500 174.222 2.278 RESID 67 (S): CA 55.230 55.230 57.298 -2.068 RESID 67 (S): CB 65.300 65.300 67.716 -2.416 RESID 67 (S): H 8.561 8.561 8.331 0.230 RESID 68 (G): N 112.900 112.900 107.263 5.637 RESID 68 (G): C 171.000 171.000 172.609 -1.609 RESID 68 (G): CA 46.580 46.580 44.525 2.055 RESID 68 (G): H 7.604 7.604 8.721 -1.117 RESID 69 (A): N 122.300 122.300 125.991 -3.691 RESID 69 (A): C 177.900 177.900 175.226 2.674 RESID 69 (A): CA 51.280 51.280 52.445 -1.165 RESID 69 (A): CB 23.440 23.440 21.382 2.058 RESID 69 (A): H 7.402 7.402 8.232 -0.830 RESID 70 (T): N 119.600 119.600 114.173 5.427 RESID 70 (T): C 171.400 171.400 174.115 -2.715 RESID 70 (T): CA 58.150 58.150 61.278 -3.128 RESID 70 (T): CB 70.880 70.880 69.775 1.105 RESID 70 (T): H 9.171 9.171 8.155 1.016 RESID 71 (T): N 116.500 116.500 121.776 -5.276 RESID 71 (T): C 172.500 172.500 172.910 -0.410 RESID 71 (T): CA 61.680 61.680 61.629 0.051 RESID 71 (T): CB 70.490 70.490 68.912 1.578 RESID 71 (T): H 7.663 7.663 8.460 -0.797 RESID 72 (P): C 177.100 177.100 176.141 0.959 RESID 72 (P): CA 63.390 63.390 63.571 -0.181 RESID 72 (P): CB 32.940 32.940 32.227 0.713 RESID 73 (N): N 115.200 115.200 119.762 -4.562 RESID 73 (N): C 174.600 174.600 176.222 -1.622 RESID 73 (N): CA 54.570 54.570 53.831 0.739 RESID 73 (N): CB 37.020 37.020 38.478 -1.458 RESID 73 (N): H 7.990 7.990 8.699 -0.709 RESID 74 (N): C 175.800 175.800 176.951 -1.151 RESID 74 (N): CA 60.660 60.660 55.643 5.017 RESID 74 (N): CB 38.070 38.070 37.716 0.354 RESID 75 (R): N 114.600 114.600 120.900 -6.300 RESID 75 (R): C 177.400 177.400 177.556 -0.156 RESID 75 (R): CA 59.940 59.940 58.861 1.079 RESID 75 (R): CB 31.110 31.110 30.063 1.047 RESID 75 (R): H 8.049 8.049 8.339 -0.290 RESID 76 (V): N 107.100 107.100 117.394 -10.294 RESID 76 (V): C 176.000 176.000 175.941 0.059 RESID 76 (V): CA 61.110 61.110 64.036 -2.926 RESID 76 (V): CB 33.590 33.590 31.550 2.039 RESID 76 (V): H 7.356 7.356 8.182 -0.826 RESID 77 (A): N 126.900 126.900 120.977 5.923 RESID 77 (A): C 176.500 176.500 177.582 -1.082 RESID 77 (A): CA 51.390 51.390 52.434 -1.044 RESID 77 (A): CB 24.260 24.260 19.147 5.113 RESID 77 (A): H 7.873 7.873 7.151 0.723 RESID 78 (D): N 118.700 118.700 116.909 1.791 RESID 78 (D): C 178.100 178.100 175.889 2.211 RESID 78 (D): CA 51.970 51.970 52.903 -0.933 RESID 78 (D): CB 41.360 41.360 40.998 0.362 RESID 78 (D): H 8.607 8.607 8.176 0.431 RESID 79 (D): N 116.600 116.600 115.730 0.870 RESID 79 (D): C 176.400 176.400 176.117 0.283 RESID 79 (D): CA 56.030 56.030 54.974 1.056 RESID 79 (D): CB 40.100 40.100 39.229 0.871 RESID 79 (D): H 8.258 8.258 8.423 -0.165 RESID 80 (Q): N 117.200 117.200 121.533 -4.333 RESID 80 (Q): C 175.700 175.700 176.885 -1.185 RESID 80 (Q): CA 54.970 54.970 56.491 -1.521 RESID 80 (Q): CB 30.840 30.840 28.456 2.384 RESID 80 (Q): H 8.160 8.160 8.336 -0.176 RESID 81 (G): N 105.300 105.300 105.318 -0.018 RESID 81 (G): C 174.200 174.200 173.352 0.848 RESID 81 (G): CA 45.740 45.740 44.792 0.948 RESID 81 (G): H 7.419 7.419 8.069 -0.650 RESID 82 (F): N 121.700 121.700 121.111 0.589 RESID 82 (F): C 175.300 175.300 175.740 -0.440 RESID 82 (F): CA 52.530 52.530 56.791 -4.261 RESID 82 (F): CB 37.430 37.430 40.062 -2.631 RESID 82 (F): H 8.154 8.154 7.865 0.289 RESID 83 (L): C 178.400 178.400 177.432 0.968 RESID 83 (L): CA 55.550 55.550 55.218 0.332 RESID 83 (L): CB 38.480 38.480 41.962 -3.482 RESID 84 (R): N 119.000 119.000 118.628 0.372 RESID 84 (R): C 178.300 178.300 177.517 0.783 RESID 84 (R): CA 60.690 60.690 57.177 3.513 RESID 84 (R): CB 31.530 31.530 29.874 1.656 RESID 84 (R): H 7.746 7.746 8.431 -0.685 RESID 85 (Q): N 116.400 116.400 118.984 -2.584 RESID 85 (Q): C 174.700 174.700 177.364 -2.664 RESID 85 (Q): CA 58.200 58.200 57.974 0.226 RESID 85 (Q): CB 26.140 26.140 29.322 -3.182 RESID 85 (Q): H 9.838 9.838 7.964 1.874 RESID 86 (W): N 115.600 115.600 122.115 -6.515 RESID 86 (W): C 175.900 175.900 177.680 -1.780 RESID 86 (W): CA 55.320 55.320 60.415 -5.095 RESID 86 (W): CB 27.470 27.470 29.535 -2.065 RESID 86 (W): H 6.600 6.600 8.555 -1.955 RESID 87 (S): N 118.500 118.500 114.750 3.750 RESID 87 (S): C 177.300 177.300 175.828 1.472 RESID 87 (S): CA 62.340 62.340 61.824 0.516 RESID 87 (S): H 7.067 7.067 8.347 -1.280 RESID 88 (K): N 118.300 118.300 122.247 -3.947 RESID 88 (K): C 179.000 179.000 178.819 0.181 RESID 88 (K): CA 59.970 59.970 59.501 0.469 RESID 88 (K): CB 32.380 32.380 32.471 -0.091 RESID 88 (K): H 8.615 8.615 7.637 0.978 RESID 89 (V): N 120.600 120.600 114.243 6.357 RESID 89 (V): C 178.100 178.100 177.288 0.812 RESID 89 (V): CA 65.530 65.530 65.449 0.081 RESID 89 (V): CB 32.180 32.180 31.678 0.502 RESID 89 (V): H 7.089 7.089 7.789 -0.700 RESID 90 (A): N 120.700 120.700 121.106 -0.406 RESID 90 (A): C 180.000 180.000 178.907 1.093 RESID 90 (A): CA 55.490 55.490 54.113 1.377 RESID 90 (A): CB 19.130 19.130 17.703 1.427 RESID 90 (A): H 7.979 7.979 7.288 0.691 RESID 91 (K): N 117.600 117.600 118.009 -0.409 RESID 91 (K): C 180.900 180.900 177.869 3.031 RESID 91 (K): CA 59.830 59.830 58.822 1.008 RESID 91 (K): CB 32.700 32.700 32.704 -0.004 RESID 91 (K): H 7.844 7.844 8.090 -0.246 RESID 92 (E): N 122.300 122.300 117.260 5.040 RESID 92 (E): C 178.600 178.600 177.085 1.515 RESID 92 (E): CA 59.590 59.590 57.294 2.296 RESID 92 (E): CB 29.740 29.740 30.385 -0.645 RESID 92 (E): H 8.178 8.178 7.690 0.488 RESID 93 (R): N 115.300 115.300 118.442 -3.142 RESID 93 (R): C 175.000 175.000 174.691 0.309 RESID 93 (R): CA 56.320 56.320 55.531 0.789 RESID 93 (R): CB 29.390 29.390 30.906 -1.516 RESID 93 (R): H 7.776 7.776 8.041 -0.265 RESID 94 (K): N 116.800 116.800 115.007 1.793 RESID 94 (K): C 176.400 176.400 175.735 0.665 RESID 94 (K): CA 56.950 56.950 57.631 -0.681 RESID 94 (K): CB 28.870 28.870 30.319 -1.449 RESID 94 (K): H 7.697 7.697 8.412 -0.715 RESID 95 (L): N 120.600 120.600 121.682 -1.082 RESID 95 (L): C 177.200 177.200 176.923 0.277 RESID 95 (L): CA 56.710 56.710 55.988 0.722 RESID 95 (L): CB 43.480 43.480 42.453 1.028 RESID 95 (L): H 7.708 7.708 7.662 0.046 RESID 96 (Q): N 124.900 124.900 124.488 0.412 RESID 96 (Q): C 175.000 175.000 175.960 -0.960 RESID 96 (Q): CA 55.570 55.570 54.937 0.633 RESID 96 (Q): CB 30.080 30.080 29.748 0.332 RESID 96 (Q): H 7.526 7.526 8.406 -0.880 RESID 97 (R): N 126.000 126.000 119.562 6.438 RESID 97 (R): C 176.800 176.800 176.213 0.587 RESID 97 (R): CA 55.610 55.610 56.603 -0.993 RESID 97 (R): CB 31.840 31.840 30.224 1.615 RESID 97 (R): H 9.039 9.039 8.539 0.500 RESID 98 (L): N 126.500 126.500 123.041 3.459 RESID 98 (L): C 175.400 175.400 175.822 -0.422 RESID 98 (L): CA 56.610 56.610 54.208 2.402 RESID 98 (L): CB 47.140 47.140 43.783 3.357 RESID 98 (L): H 8.247 8.247 8.690 -0.443 RESID 99 (Y): N 110.000 110.000 112.007 -2.007 RESID 99 (Y): C 173.200 173.200 174.596 -1.396 RESID 99 (Y): CA 55.320 55.320 56.149 -0.829 RESID 99 (Y): CB 38.350 38.350 39.336 -0.986 RESID 99 (Y): H 6.465 6.465 7.818 -1.353 RESID 100 (I): N 120.000 120.000 126.176 -6.176 RESID 100 (I): C 176.800 176.800 177.143 -0.343 RESID 100 (I): CA 61.290 61.290 63.102 -1.812 RESID 100 (I): CB 39.980 39.980 36.397 3.583 RESID 100 (I): H 8.725 8.725 8.621 0.104 RESID 101 (G): N 114.800 114.800 113.909 0.891 RESID 101 (G): C 173.400 173.400 174.099 -0.699 RESID 101 (G): CA 47.030 47.030 44.823 2.207 RESID 101 (G): H 8.224 8.224 8.465 -0.241 RESID 102 (E): N 129.600 129.600 118.689 10.911 RESID 102 (E): C 173.700 173.700 174.468 -0.768 RESID 102 (E): CA 54.480 54.480 53.987 0.493 RESID 102 (E): CB 29.790 29.790 27.750 2.039 RESID 102 (E): H 8.294 8.294 8.002 0.292 RESID 103 (P): C 175.400 175.400 176.325 -0.925 RESID 103 (P): CA 62.040 62.040 63.536 -1.496 RESID 103 (P): CB 32.570 32.570 32.681 -0.111 RESID 104 (S): N 111.900 111.900 116.707 -4.807 RESID 104 (S): C 174.800 174.800 174.674 0.126 RESID 104 (S): CA 55.340 55.340 57.963 -2.623 RESID 104 (S): CB 64.330 64.330 64.336 -0.006 RESID 104 (S): H 5.412 5.412 7.945 -2.533 RESID 105 (A): N 130.200 130.200 129.966 0.234 RESID 105 (A): C 179.400 179.400 179.070 0.330 RESID 105 (A): CA 55.070 55.070 54.285 0.785 RESID 105 (A): CB 18.210 18.210 19.056 -0.846 RESID 105 (A): H 9.211 9.211 8.909 0.302 RESID 106 (E): N 119.800 119.800 119.434 0.366 RESID 106 (E): C 179.300 179.300 178.854 0.446 RESID 106 (E): CA 60.270 60.270 59.026 1.244 RESID 106 (E): CB 28.990 28.990 29.466 -0.476 RESID 106 (E): H 8.731 8.731 8.587 0.144 RESID 107 (A): N 121.600 121.600 122.121 -0.521 RESID 107 (A): C 180.100 180.100 179.735 0.365 RESID 107 (A): CA 54.650 54.650 54.935 -0.285 RESID 107 (A): CB 19.220 19.220 18.441 0.779 RESID 107 (A): H 7.682 7.682 7.812 -0.130 RESID 108 (V): N 116.600 116.600 118.536 -1.936 RESID 108 (V): C 177.700 177.700 178.504 -0.804 RESID 108 (V): CA 66.920 66.920 65.961 0.959 RESID 108 (V): CB 31.430 31.430 31.734 -0.304 RESID 108 (V): H 7.015 7.015 7.511 -0.496 RESID 109 (A): N 121.400 121.400 122.840 -1.440 RESID 109 (A): C 181.100 181.100 179.226 1.874 RESID 109 (A): CA 55.540 55.540 54.921 0.619 RESID 109 (A): CB 17.900 17.900 18.040 -0.140 RESID 109 (A): H 8.262 8.262 8.122 0.140 RESID 110 (A): N 118.800 118.800 119.552 -0.752 RESID 110 (A): C 178.900 178.900 178.643 0.257 RESID 110 (A): CA 54.300 54.300 54.550 -0.250 RESID 110 (A): CB 18.460 18.460 18.488 -0.028 RESID 110 (A): H 7.607 7.607 7.940 -0.333 RESID 111 (Q): N 113.500 113.500 114.590 -1.090 RESID 111 (Q): C 174.900 174.900 175.959 -1.059 RESID 111 (Q): CA 55.160 55.160 54.246 0.914 RESID 111 (Q): CB 28.450 28.450 28.578 -0.128 RESID 111 (Q): H 7.148 7.148 7.436 -0.288 RESID 112 (M): N 114.700 114.700 120.859 -6.159 RESID 112 (M): C 173.300 173.300 173.246 0.054 RESID 112 (M): CA 55.900 55.900 55.558 0.342 RESID 112 (M): CB 30.300 30.300 31.743 -1.443 RESID 112 (M): H 7.882 7.882 7.945 -0.063 RESID 113 (P): C 176.700 176.700 176.246 0.454 RESID 113 (P): CA 62.820 62.820 62.579 0.241 RESID 113 (P): CB 33.340 33.340 32.934 0.406 RESID 114 (D): N 115.800 115.800 117.996 -2.196 RESID 114 (D): C 175.900 175.900 175.988 -0.088 RESID 114 (D): CA 53.150 53.150 55.278 -2.128 RESID 114 (D): CB 40.990 40.990 42.776 -1.786 RESID 114 (D): H 8.850 8.850 8.231 0.619 RESID 115 (L): C 174.900 174.900 174.287 0.613 RESID 115 (L): CA 52.800 52.800 54.199 -1.399 RESID 116 (I): N 123.500 123.500 126.330 -2.830 RESID 116 (I): CA 60.270 60.270 60.390 -0.120 RESID 116 (I): H 9.340 9.340 8.018 1.322 RESID 118 (I): C 174.400 174.400 175.379 -0.979 RESID 118 (I): CA 60.250 60.250 59.821 0.429 RESID 118 (I): CB 42.610 42.610 41.588 1.022 RESID 119 (S): N 121.600 121.600 121.165 0.435 RESID 119 (S): C 175.700 175.700 175.108 0.592 RESID 119 (S): CA 57.150 57.150 57.734 -0.584 RESID 119 (S): CB 65.280 65.280 64.597 0.683 RESID 119 (S): H 9.575 9.575 8.533 1.042 RESID 120 (A): N 126.000 126.000 124.446 1.554 RESID 120 (A): C 176.900 176.900 177.390 -0.490 RESID 120 (A): CA 54.300 54.300 54.348 -0.048 RESID 120 (A): CB 20.530 20.530 19.011 1.519 RESID 120 (A): H 8.143 8.143 8.644 -0.501 RESID 121 (T): N 106.400 106.400 110.546 -4.146 RESID 121 (T): C 173.000 173.000 173.114 -0.114 RESID 121 (T): CA 59.450 59.450 61.892 -2.442 RESID 121 (T): CB 72.310 72.310 70.704 1.606 RESID 121 (T): H 7.617 7.617 7.837 -0.220 RESID 122 (G): N 104.200 104.200 110.682 -6.482 RESID 122 (G): C 177.200 177.200 174.131 3.069 RESID 122 (G): CA 44.430 44.430 45.188 -0.758 RESID 122 (G): H 7.998 7.998 7.845 0.153 RESID 123 (G): C 174.100 174.100 174.310 -0.210 RESID 123 (G): CA 46.710 46.710 45.669 1.041 RESID 124 (D): N 116.900 116.900 119.325 -2.425 RESID 124 (D): C 176.900 176.900 175.927 0.973 RESID 124 (D): CA 52.320 52.320 52.921 -0.601 RESID 124 (D): CB 40.690 40.690 40.637 0.053 RESID 124 (D): H 8.617 8.617 7.793 0.824 RESID 125 (S): N 115.100 115.100 119.189 -4.089 RESID 125 (S): C 176.900 176.900 175.245 1.655 RESID 125 (S): CA 58.750 58.750 58.680 0.070 RESID 125 (S): CB 64.190 64.190 64.050 0.140 RESID 125 (S): H 7.322 7.322 8.427 -1.105 RESID 126 (A): N 134.900 134.900 130.154 4.746 RESID 126 (A): C 176.700 176.700 178.652 -1.952 RESID 126 (A): CA 51.150 51.150 53.496 -2.346 RESID 126 (A): CB 16.850 16.850 19.087 -2.237 RESID 126 (A): H 8.837 8.837 8.581 0.256 RESID 127 (L): N 121.000 121.000 121.021 -0.021 RESID 127 (L): C 178.900 178.900 178.361 0.539 RESID 127 (L): CA 58.730 58.730 57.257 1.473 RESID 127 (L): CB 42.840 42.840 41.606 1.234 RESID 127 (L): H 7.353 7.353 8.154 -0.801 RESID 128 (A): N 121.600 121.600 118.202 3.398 RESID 128 (A): C 178.900 178.900 178.169 0.731 RESID 128 (A): CA 55.010 55.010 54.198 0.812 RESID 128 (A): CB 18.200 18.200 18.693 -0.493 RESID 128 (A): H 8.918 8.918 7.628 1.290 RESID 129 (L): N 116.800 116.800 116.259 0.541 RESID 129 (L): C 177.000 177.000 177.906 -0.906 RESID 129 (L): CA 53.930 53.930 55.197 -1.267 RESID 129 (L): CB 42.710 42.710 43.077 -0.367 RESID 129 (L): H 7.776 7.776 7.415 0.361 RESID 130 (Y): N 122.000 122.000 122.884 -0.884 RESID 130 (Y): C 177.100 177.100 176.804 0.296 RESID 130 (Y): CA 64.420 64.420 62.894 1.526 RESID 130 (Y): CB 39.470 39.470 38.420 1.050 RESID 130 (Y): H 7.891 7.891 8.987 -1.096 RESID 131 (D): N 119.000 119.000 117.835 1.165 RESID 131 (D): C 178.300 178.300 178.392 -0.092 RESID 131 (D): CA 58.040 58.040 57.418 0.622 RESID 131 (D): CB 39.660 39.660 39.363 0.297 RESID 131 (D): H 9.014 9.014 8.097 0.917 RESID 132 (Q): N 118.900 118.900 119.883 -0.983 RESID 132 (Q): C 179.100 179.100 178.823 0.277 RESID 132 (Q): CA 58.930 58.930 58.733 0.197 RESID 132 (Q): CB 29.320 29.320 28.740 0.580 RESID 132 (Q): H 7.814 7.814 7.958 -0.144 RESID 133 (L): N 119.700 119.700 120.011 -0.311 RESID 133 (L): C 177.900 177.900 178.616 -0.716 RESID 133 (L): CA 57.910 57.910 57.577 0.333 RESID 133 (L): CB 40.980 40.980 41.790 -0.810 RESID 133 (L): H 8.450 8.450 8.900 -0.450 RESID 134 (S): N 111.800 111.800 114.998 -3.198 RESID 134 (S): C 175.500 175.500 175.997 -0.497 RESID 134 (S): CA 61.160 61.160 60.838 0.322 RESID 134 (S): CB 63.450 63.450 62.672 0.778 RESID 134 (S): H 8.128 8.128 8.457 -0.329 RESID 135 (T): N 111.100 111.100 116.326 -5.226 RESID 135 (T): C 175.300 175.300 176.480 -1.180 RESID 135 (T): CA 63.230 63.230 65.271 -2.041 RESID 135 (T): CB 69.670 69.670 69.011 0.659 RESID 135 (T): H 6.953 6.953 7.595 -0.642 RESID 136 (I): N 124.400 124.400 120.445 3.955 RESID 136 (I): C 175.800 175.800 175.554 0.246 RESID 136 (I): CA 63.940 63.940 64.007 -0.068 RESID 136 (I): CB 38.870 38.870 38.523 0.347 RESID 136 (I): H 7.694 7.694 7.278 0.416 RESID 137 (A): N 120.500 120.500 118.522 1.978 RESID 137 (A): C 172.300 172.300 173.917 -1.617 RESID 137 (A): CA 50.470 50.470 50.607 -0.137 RESID 137 (A): CB 19.320 19.320 19.463 -0.143 RESID 137 (A): H 7.540 7.540 8.013 -0.473 RESID 138 (P): C 174.700 174.700 176.215 -1.515 RESID 138 (P): CA 64.700 64.700 63.493 1.207 RESID 138 (P): CB 31.610 31.610 31.577 0.033 RESID 139 (T): N 122.000 122.000 120.069 1.931 RESID 139 (T): C 173.900 173.900 173.994 -0.094 RESID 139 (T): CA 61.630 61.630 63.194 -1.564 RESID 139 (T): CB 71.540 71.540 69.677 1.863 RESID 139 (T): H 7.990 7.990 8.166 -0.176 RESID 140 (L): C 174.900 174.900 174.308 0.592 RESID 140 (L): CA 52.740 52.740 53.527 -0.787 RESID 140 (L): CB 46.680 46.680 45.963 0.717 RESID 141 (I): N 123.500 123.500 125.926 -2.426 RESID 141 (I): C 175.700 175.700 174.580 1.120 RESID 141 (I): CA 60.250 60.250 61.294 -1.044 RESID 141 (I): CB 39.590 39.590 38.432 1.158 RESID 141 (I): H 9.345 9.345 7.913 1.432 RESID 142 (I): N 129.000 129.000 127.063 1.937 RESID 142 (I): C 174.400 174.400 174.162 0.238 RESID 142 (I): CA 57.930 57.930 59.889 -1.959 RESID 142 (I): CB 39.690 39.690 41.962 -2.272 RESID 142 (I): H 9.030 9.030 8.838 0.192 RESID 143 (N): N 129.100 129.100 124.065 5.035 RESID 143 (N): C 174.700 174.700 174.261 0.439 RESID 143 (N): CA 51.390 51.390 53.219 -1.829 RESID 143 (N): CB 39.720 39.720 39.681 0.039 RESID 143 (N): H 9.388 9.388 8.650 0.738 RESID 144 (Y): N 119.900 119.900 125.424 -5.524 RESID 144 (Y): C 176.500 176.500 174.717 1.783 RESID 144 (Y): CA 55.820 55.820 59.390 -3.570 RESID 144 (Y): CB 39.120 39.120 39.388 -0.268 RESID 144 (Y): H 8.491 8.491 8.224 0.267 RESID 145 (D): N 125.200 125.200 124.415 0.785 RESID 145 (D): C 176.800 176.800 175.065 1.735 RESID 145 (D): CA 55.220 55.220 55.401 -0.181 RESID 145 (D): CB 43.120 43.120 39.776 3.345 RESID 145 (D): H 8.800 8.800 8.365 0.435 RESID 146 (D): N 119.100 119.100 115.196 3.904 RESID 146 (D): C 175.200 175.200 175.288 -0.088 RESID 146 (D): CA 53.230 53.230 53.596 -0.366 RESID 146 (D): CB 40.760 40.760 42.388 -1.628 RESID 146 (D): H 7.571 7.571 8.632 -1.061 RESID 147 (K): N 114.100 114.100 119.809 -5.709 RESID 147 (K): C 175.000 175.000 175.274 -0.274 RESID 147 (K): CA 54.070 54.070 55.601 -1.531 RESID 147 (K): CB 33.340 33.340 35.147 -1.807 RESID 147 (K): H 7.018 7.018 7.560 -0.542 RESID 148 (S): N 118.300 118.300 118.797 -0.497 RESID 148 (S): C 175.700 175.700 176.092 -0.392 RESID 148 (S): CA 57.120 57.120 57.196 -0.076 RESID 148 (S): CB 64.970 64.970 64.223 0.747 RESID 148 (S): H 8.709 8.709 8.489 0.220 RESID 149 (W): N 121.700 121.700 120.051 1.649 RESID 149 (W): C 179.300 179.300 177.245 2.055 RESID 149 (W): CA 59.890 59.890 58.570 1.320 RESID 149 (W): CB 27.660 27.660 28.376 -0.716 RESID 149 (W): H 8.779 8.779 8.912 -0.133 RESID 150 (Q): N 124.600 124.600 121.374 3.226 RESID 150 (Q): C 178.100 178.100 177.835 0.265 RESID 150 (Q): CA 61.660 61.660 58.296 3.364 RESID 150 (Q): CB 26.550 26.550 27.743 -1.193 RESID 150 (Q): H 8.369 8.369 6.766 1.603 RESID 151 (S): N 117.500 117.500 116.225 1.275 RESID 151 (S): C 177.500 177.500 177.022 0.478 RESID 151 (S): CA 61.760 61.760 61.150 0.610 RESID 151 (S): CB 63.360 63.360 62.707 0.653 RESID 151 (S): H 7.769 7.769 7.700 0.069 RESID 152 (L): N 125.200 125.200 122.937 2.263 RESID 152 (L): C 178.700 178.700 178.121 0.579 RESID 152 (L): CA 58.320 58.320 57.933 0.387 RESID 152 (L): CB 41.980 41.980 41.681 0.298 RESID 152 (L): H 8.460 8.460 8.410 0.050 RESID 153 (L): N 119.200 119.200 118.645 0.555 RESID 153 (L): C 179.700 179.700 178.665 1.035 RESID 153 (L): CA 58.960 58.960 57.536 1.424 RESID 153 (L): CB 41.270 41.270 41.368 -0.098 RESID 153 (L): H 8.562 8.562 7.629 0.933 RESID 154 (T): N 116.300 116.300 112.829 3.471 RESID 154 (T): C 177.200 177.200 176.894 0.306 RESID 154 (T): CA 67.290 67.290 65.984 1.306 RESID 154 (T): CB 68.640 68.640 68.104 0.536 RESID 154 (T): H 8.004 8.004 7.883 0.121 RESID 155 (Q): N 124.500 124.500 121.035 3.465 RESID 155 (Q): C 179.200 179.200 178.038 1.162 RESID 155 (Q): CA 59.710 59.710 58.348 1.362 RESID 155 (Q): CB 28.620 28.620 28.365 0.255 RESID 155 (Q): H 8.230 8.230 7.935 0.295 RESID 156 (L): C 180.900 180.900 179.270 1.630 RESID 156 (L): CA 57.540 57.540 56.922 0.618 RESID 156 (L): CB 41.710 41.710 41.836 -0.126 RESID 157 (G): N 112.800 112.800 107.003 5.797 RESID 157 (G): C 174.500 174.500 175.049 -0.549 RESID 157 (G): CA 48.300 48.300 46.500 1.800 RESID 157 (G): H 9.216 9.216 8.014 1.202 RESID 158 (E): N 123.500 123.500 118.696 4.804 RESID 158 (E): C 177.800 177.800 177.182 0.618 RESID 158 (E): CA 59.120 59.120 57.896 1.224 RESID 158 (E): CB 29.700 29.700 29.398 0.302 RESID 158 (E): H 7.480 7.480 7.464 0.016 RESID 160 (T): C 178.300 178.300 176.011 2.289 RESID 160 (T): CA 61.930 61.930 63.074 -1.144 RESID 160 (T): CB 71.830 71.830 69.197 2.633 RESID 161 (G): N 113.600 113.600 113.888 -0.288 RESID 161 (G): C 174.600 174.600 174.174 0.426 RESID 161 (G): CA 48.130 48.130 46.886 1.244 RESID 161 (G): H 8.114 8.114 8.992 -0.878 RESID 162 (H): N 121.000 121.000 116.135 4.865 RESID 162 (H): C 174.000 174.000 176.180 -2.180 RESID 162 (H): CA 55.370 55.370 55.874 -0.504 RESID 162 (H): CB 28.280 28.280 31.242 -2.962 RESID 162 (H): H 8.506 8.506 7.832 0.674 RESID 163 (E): N 123.900 123.900 122.146 1.754 RESID 163 (E): C 180.800 180.800 178.475 2.325 RESID 163 (E): CA 61.160 61.160 59.751 1.409 RESID 163 (E): CB 28.720 28.720 29.143 -0.423 RESID 163 (E): H 10.300 10.300 8.772 1.528 RESID 164 (K): N 120.600 120.600 120.368 0.232 RESID 164 (K): C 178.700 178.700 178.794 -0.094 RESID 164 (K): CA 59.590 59.590 60.051 -0.461 RESID 164 (K): CB 32.280 32.280 31.973 0.307 RESID 164 (K): H 8.789 8.789 8.391 0.398 RESID 165 (Q): N 119.500 119.500 117.321 2.179 RESID 165 (Q): C 178.800 178.800 178.134 0.666 RESID 165 (Q): CA 60.870 60.870 58.842 2.028 RESID 165 (Q): CB 28.120 28.120 28.386 -0.266 RESID 165 (Q): H 8.058 8.058 8.539 -0.481 RESID 166 (A): N 121.100 121.100 122.437 -1.337 RESID 166 (A): C 178.000 178.000 179.429 -1.429 RESID 166 (A): CA 56.280 56.280 54.962 1.317 RESID 166 (A): CB 18.300 18.300 18.075 0.225 RESID 166 (A): H 7.873 7.873 8.073 -0.200 RESID 167 (A): N 117.900 117.900 120.939 -3.039 RESID 167 (A): C 181.500 181.500 179.612 1.888 RESID 167 (A): CA 55.100 55.100 55.262 -0.162 RESID 167 (A): CB 17.860 17.860 18.166 -0.306 RESID 167 (A): H 7.642 7.642 8.662 -1.020 RESID 168 (E): N 120.100 120.100 118.576 1.524 RESID 168 (E): C 179.600 179.600 179.133 0.467 RESID 168 (E): CA 59.610 59.610 59.613 -0.003 RESID 168 (E): CB 29.790 29.790 29.333 0.457 RESID 168 (E): H 8.230 8.230 7.904 0.326 RESID 170 (I): C 177.700 177.700 177.696 0.004 RESID 170 (I): CA 66.880 66.880 65.293 1.587 RESID 170 (I): CB 39.310 39.310 37.956 1.355 RESID 171 (A): N 120.700 120.700 123.204 -2.504 RESID 171 (A): C 181.200 181.200 179.839 1.361 RESID 171 (A): CA 55.290 55.290 55.636 -0.346 RESID 171 (A): CB 18.260 18.260 18.113 0.147 RESID 171 (A): H 8.000 8.000 8.783 -0.783 RESID 172 (Q): N 120.600 120.600 118.030 2.570 RESID 172 (Q): C 179.200 179.200 178.578 0.622 RESID 172 (Q): CA 59.210 59.210 58.505 0.705 RESID 172 (Q): CB 28.340 28.340 28.597 -0.257 RESID 172 (Q): H 8.585 8.585 7.950 0.635 RESID 173 (F): N 122.500 122.500 122.608 -0.108 RESID 173 (F): C 176.400 176.400 177.400 -1.000 RESID 173 (F): CA 62.710 62.710 61.094 1.616 RESID 173 (F): CB 39.490 39.490 39.121 0.369 RESID 173 (F): H 8.457 8.457 8.762 -0.305 RESID 174 (D): N 121.000 121.000 120.111 0.889 RESID 174 (D): C 180.300 180.300 178.883 1.417 RESID 174 (D): CA 58.040 58.040 57.501 0.539 RESID 174 (D): CB 40.160 40.160 40.245 -0.085 RESID 174 (D): H 8.771 8.771 9.036 -0.265 RESID 175 (K): N 121.300 121.300 120.206 1.094 RESID 175 (K): C 179.800 179.800 178.636 1.164 RESID 175 (K): CA 59.630 59.630 59.634 -0.004 RESID 175 (K): CB 32.710 32.710 32.397 0.313 RESID 175 (K): H 8.125 8.125 8.179 -0.054 RESID 176 (Q): N 121.600 121.600 119.531 2.069 RESID 176 (Q): C 179.100 179.100 178.329 0.771 RESID 176 (Q): CA 58.460 58.460 58.942 -0.482 RESID 176 (Q): CB 27.990 27.990 28.524 -0.534 RESID 176 (Q): H 8.164 8.164 7.826 0.338 RESID 177 (L): N 125.600 125.600 119.589 6.011 RESID 177 (L): C 178.400 178.400 178.675 -0.275 RESID 177 (L): CA 59.890 59.890 57.233 2.658 RESID 177 (L): CB 41.200 41.200 41.360 -0.160 RESID 177 (L): H 8.944 8.944 7.746 1.198 RESID 178 (A): N 121.500 121.500 122.571 -1.071 RESID 178 (A): C 180.600 180.600 179.222 1.378 RESID 178 (A): CA 55.390 55.390 55.195 0.195 RESID 178 (A): CB 17.970 17.970 17.878 0.092 RESID 178 (A): H 7.690 7.690 8.230 -0.540 RESID 179 (A): N 120.200 120.200 121.018 -0.818 RESID 179 (A): C 180.600 180.600 179.883 0.717 RESID 179 (A): CA 54.860 54.860 54.527 0.333 RESID 179 (A): CB 18.190 18.190 18.594 -0.404 RESID 179 (A): H 7.706 7.706 7.662 0.044 RESID 180 (A): N 121.800 121.800 121.808 -0.008 RESID 180 (A): C 179.200 179.200 179.112 0.088 RESID 180 (A): CA 55.490 55.490 54.748 0.742 RESID 180 (A): CB 17.920 17.920 18.193 -0.273 RESID 180 (A): H 8.171 8.171 8.002 0.169 RESID 181 (K): N 118.100 118.100 117.919 0.181 RESID 181 (K): C 178.000 178.000 178.100 -0.100 RESID 181 (K): CA 59.830 59.830 59.197 0.633 RESID 181 (K): CB 33.340 33.340 32.640 0.700 RESID 181 (K): H 8.342 8.342 8.316 0.026 RESID 182 (E): N 114.400 114.400 116.523 -2.123 RESID 182 (E): C 177.300 177.300 177.427 -0.127 RESID 182 (E): CA 57.870 57.870 57.112 0.758 RESID 182 (E): CB 30.320 30.320 29.232 1.088 RESID 182 (E): H 7.153 7.153 7.721 -0.569 RESID 183 (Q): N 116.700 116.700 117.395 -0.695 RESID 183 (Q): C 177.200 177.200 176.176 1.024 RESID 183 (Q): CA 57.060 57.060 56.826 0.234 RESID 183 (Q): CB 31.550 31.550 31.154 0.396 RESID 183 (Q): H 7.458 7.458 7.649 -0.191 RESID 184 (I): N 117.800 117.800 115.871 1.929 RESID 184 (I): C 175.200 175.200 174.239 0.961 RESID 184 (I): CA 63.000 63.000 59.748 3.252 RESID 184 (I): CB 40.300 40.300 39.973 0.327 RESID 184 (I): H 7.723 7.723 7.437 0.286 RESID 185 (K): N 127.700 127.700 122.895 4.805 RESID 185 (K): C 175.600 175.600 175.614 -0.014 RESID 185 (K): CA 54.550 54.550 55.110 -0.560 RESID 185 (K): CB 31.600 31.600 34.529 -2.929 RESID 185 (K): H 8.743 8.743 7.909 0.834 RESID 186 (L): N 124.700 124.700 125.704 -1.004 RESID 186 (L): C 175.700 175.700 175.889 -0.189 RESID 186 (L): CA 54.240 54.240 51.872 2.368 RESID 186 (L): CB 41.050 41.050 40.662 0.388 RESID 186 (L): H 8.051 8.051 8.483 -0.432 RESID 188 (P): C 174.800 174.800 176.254 -1.454 RESID 188 (P): CA 65.060 65.060 63.578 1.482 RESID 188 (P): CB 32.670 32.670 31.666 1.004 RESID 189 (Q): N 121.300 121.300 120.584 0.716 RESID 189 (Q): C 174.800 174.800 173.095 1.705 RESID 189 (Q): CA 52.330 52.330 54.720 -2.390 RESID 189 (Q): CB 31.350 31.350 30.444 0.906 RESID 189 (Q): H 8.061 8.061 8.227 -0.166 RESID 190 (P): C 175.500 175.500 175.583 -0.083 RESID 190 (P): CA 62.820 62.820 62.362 0.458 RESID 190 (P): CB 35.450 35.450 32.624 2.826 RESID 191 (V): N 112.600 112.600 121.654 -9.054 RESID 191 (V): C 174.300 174.300 173.965 0.335 RESID 191 (V): CA 59.740 59.740 59.506 0.234 RESID 191 (V): CB 35.030 35.030 34.721 0.309 RESID 191 (V): H 9.214 9.214 8.620 0.594 RESID 192 (T): N 120.700 120.700 113.294 7.406 RESID 192 (T): C 172.300 172.300 172.082 0.218 RESID 192 (T): CA 63.030 63.030 59.517 3.513 RESID 192 (T): CB 71.550 71.550 71.263 0.288 RESID 192 (T): H 8.462 8.462 8.335 0.127 RESID 193 (A): N 132.900 132.900 122.969 9.931 RESID 193 (A): C 175.400 175.400 175.407 -0.007 RESID 193 (A): CA 50.570 50.570 51.114 -0.544 RESID 193 (A): CB 21.140 21.140 21.440 -0.300 RESID 193 (A): H 10.170 10.170 8.558 1.612 RESID 194 (I): N 115.400 115.400 117.478 -2.078 RESID 194 (I): C 176.600 176.600 173.706 2.894 RESID 194 (I): CA 59.540 59.540 60.003 -0.463 RESID 194 (I): CB 43.930 43.930 42.118 1.812 RESID 194 (I): H 9.269 9.269 8.537 0.732 RESID 195 (V): N 118.500 118.500 122.812 -4.312 RESID 195 (V): C 176.200 176.200 174.073 2.127 RESID 195 (V): CA 63.190 63.190 61.394 1.796 RESID 195 (V): CB 34.870 34.870 34.712 0.158 RESID 195 (V): H 8.484 8.484 8.626 -0.142 RESID 196 (Y): N 132.200 132.200 129.481 2.719 RESID 196 (Y): C 174.700 174.700 174.152 0.548 RESID 196 (Y): CA 57.000 57.000 57.416 -0.416 RESID 196 (Y): CB 41.250 41.250 40.234 1.016 RESID 196 (Y): H 9.989 9.989 8.984 1.005 RESID 197 (T): N 124.900 124.900 123.421 1.479 RESID 197 (T): C 174.300 174.300 173.370 0.930 RESID 197 (T): CA 60.740 60.740 60.630 0.110 RESID 197 (T): CB 68.560 68.560 71.603 -3.042 RESID 197 (T): H 8.262 8.262 7.834 0.428 RESID 198 (A): N 130.500 130.500 130.883 -0.383 RESID 198 (A): C 180.400 180.400 179.085 1.315 RESID 198 (A): CA 55.510 55.510 54.294 1.216 RESID 198 (A): CB 18.480 18.480 18.377 0.103 RESID 198 (A): H 8.524 8.524 8.833 -0.309 RESID 199 (A): N 118.700 118.700 123.377 -4.677 RESID 199 (A): C 177.700 177.700 178.742 -1.042 RESID 199 (A): CA 54.350 54.350 54.828 -0.478 RESID 199 (A): CB 18.350 18.350 18.007 0.343 RESID 199 (A): H 8.578 8.578 8.260 0.318 RESID 200 (A): N 116.700 116.700 120.559 -3.859 RESID 200 (A): C 176.600 176.600 177.226 -0.626 RESID 200 (A): CA 51.290 51.290 52.118 -0.828 RESID 200 (A): CB 20.180 20.180 18.841 1.339 RESID 200 (A): H 6.638 6.638 8.081 -1.443 RESID 201 (H): N 116.900 116.900 116.358 0.542 RESID 201 (H): C 172.900 172.900 173.401 -0.501 RESID 201 (H): CA 56.710 56.710 56.321 0.389 RESID 201 (H): CB 27.820 27.820 28.240 -0.420 RESID 201 (H): H 7.569 7.569 7.720 -0.151 RESID 202 (S): N 110.500 110.500 114.477 -3.977 RESID 202 (S): C 171.500 171.500 171.459 0.041 RESID 202 (S): CA 56.530 56.530 57.596 -1.066 RESID 202 (S): CB 66.170 66.170 66.306 -0.136 RESID 202 (S): H 7.109 7.109 7.802 -0.693 RESID 203 (A): N 120.900 120.900 123.862 -2.962 RESID 203 (A): C 174.900 174.900 175.286 -0.386 RESID 203 (A): CA 50.890 50.890 51.437 -0.547 RESID 203 (A): CB 24.510 24.510 22.208 2.302 RESID 203 (A): H 8.618 8.618 8.308 0.310 RESID 204 (N): N 118.900 118.900 118.822 0.078 RESID 204 (N): C 173.300 173.300 173.464 -0.164 RESID 204 (N): CA 51.520 51.520 52.081 -0.561 RESID 204 (N): CB 40.080 40.080 42.166 -2.086 RESID 204 (N): H 8.333 8.333 8.223 0.110 RESID 205 (L): N 127.200 127.200 121.715 5.485 RESID 205 (L): C 175.700 175.700 175.550 0.150 RESID 205 (L): CA 54.920 54.920 54.071 0.849 RESID 205 (L): CB 44.180 44.180 42.671 1.509 RESID 205 (L): H 9.265 9.265 7.615 1.650 RESID 206 (W): N 125.300 125.300 123.548 1.752 RESID 206 (W): C 177.100 177.100 176.050 1.050 RESID 206 (W): CA 56.630 56.630 57.465 -0.835 RESID 206 (W): CB 29.690 29.690 30.909 -1.218 RESID 206 (W): H 8.560 8.560 7.938 0.622 RESID 207 (T): N 112.000 112.000 110.167 1.833 RESID 207 (T): C 176.100 176.100 173.183 2.917 RESID 207 (T): CA 60.120 60.120 59.143 0.977 RESID 207 (T): CB 68.540 68.540 70.508 -1.968 RESID 207 (T): H 8.029 8.029 8.136 -0.107 RESID 208 (P): C 176.000 176.000 176.842 -0.842 RESID 208 (P): CA 66.120 66.120 65.389 0.731 RESID 208 (P): CB 31.950 31.950 32.163 -0.213 RESID 209 (E): N 112.300 112.300 115.013 -2.713 RESID 209 (E): C 177.100 177.100 176.805 0.295 RESID 209 (E): CA 57.280 57.280 57.207 0.073 RESID 209 (E): CB 29.760 29.760 30.151 -0.391 RESID 209 (E): H 7.612 7.612 7.966 -0.354 RESID 210 (S): N 115.800 115.800 115.098 0.702 RESID 210 (S): C 173.900 173.900 175.520 -1.620 RESID 210 (S): CA 58.060 58.060 59.152 -1.092 RESID 210 (S): CB 67.320 67.320 64.482 2.838 RESID 210 (S): H 7.654 7.654 7.433 0.221 RESID 211 (A): N 125.200 125.200 127.401 -2.201 RESID 211 (A): C 180.600 180.600 179.850 0.750 RESID 211 (A): CA 55.410 55.410 55.320 0.090 RESID 211 (A): CB 18.530 18.530 18.758 -0.228 RESID 211 (A): H 8.874 8.874 9.031 -0.158 RESID 212 (Q): N 119.200 119.200 118.619 0.581 RESID 212 (Q): C 177.100 177.100 178.013 -0.913 RESID 212 (Q): CA 61.410 61.410 58.969 2.441 RESID 212 (Q): CB 27.090 27.090 27.418 -0.328 RESID 212 (Q): H 8.493 8.493 8.479 0.014 RESID 213 (G): N 107.500 107.500 107.643 -0.143 RESID 213 (G): C 175.400 175.400 176.321 -0.921 RESID 213 (G): CA 47.520 47.520 46.828 0.692 RESID 213 (G): H 8.053 8.053 8.295 -0.242 RESID 214 (Q): N 120.700 120.700 121.445 -0.745 RESID 214 (Q): C 179.000 179.000 178.380 0.620 RESID 214 (Q): CA 59.150 59.150 58.848 0.302 RESID 214 (Q): CB 29.110 29.110 28.689 0.421 RESID 214 (Q): H 8.501 8.501 8.070 0.431 RESID 215 (M): N 119.200 119.200 120.635 -1.435 RESID 215 (M): C 177.800 177.800 178.172 -0.372 RESID 215 (M): CA 59.760 59.760 59.644 0.116 RESID 215 (M): CB 32.050 32.050 32.837 -0.787 RESID 215 (M): H 7.878 7.878 8.187 -0.309 RESID 216 (L): N 115.800 115.800 118.754 -2.954 RESID 216 (L): C 179.900 179.900 179.032 0.868 RESID 216 (L): CA 58.160 58.160 57.641 0.519 RESID 216 (L): CB 40.010 40.010 41.451 -1.441 RESID 216 (L): H 7.517 7.517 7.963 -0.446 RESID 217 (E): N 121.000 121.000 119.633 1.367 RESID 217 (E): C 182.200 182.200 179.227 2.973 RESID 217 (E): CA 60.210 60.210 58.924 1.286 RESID 217 (E): CB 29.150 29.150 29.417 -0.267 RESID 217 (E): H 8.377 8.377 8.133 0.244 RESID 218 (Q): N 122.300 122.300 117.092 5.208 RESID 218 (Q): C 178.100 178.100 178.890 -0.790 RESID 218 (Q): CA 59.220 59.220 58.269 0.951 RESID 218 (Q): CB 28.850 28.850 29.119 -0.269 RESID 218 (Q): H 8.464 8.464 7.910 0.554 RESID 219 (L): N 118.400 118.400 117.886 0.514 RESID 219 (L): C 175.200 175.200 177.434 -2.234 RESID 219 (L): CA 55.880 55.880 57.273 -1.393 RESID 219 (L): CB 44.330 44.330 42.877 1.453 RESID 219 (L): H 7.433 7.433 7.746 -0.313 RESID 220 (G): N 104.600 104.600 102.667 1.933 RESID 220 (G): C 174.700 174.700 172.922 1.778 RESID 220 (G): CA 44.750 44.750 44.688 0.062 RESID 220 (G): H 7.777 7.777 8.155 -0.378 RESID 221 (F): N 119.100 119.100 119.020 0.080 RESID 221 (F): C 175.200 175.200 174.357 0.843 RESID 221 (F): CA 57.900 57.900 55.970 1.930 RESID 221 (F): CB 38.930 38.930 42.768 -3.838 RESID 221 (F): H 8.001 8.001 7.775 0.226 RESID 222 (T): N 117.600 117.600 116.114 1.486 RESID 222 (T): C 173.900 173.900 173.388 0.512 RESID 222 (T): CA 61.790 61.790 61.275 0.515 RESID 222 (T): CB 71.360 71.360 69.704 1.656 RESID 222 (T): H 8.961 8.961 8.570 0.391 RESID 223 (L): N 128.300 128.300 127.172 1.128 RESID 223 (L): C 178.300 178.300 176.648 1.652 RESID 223 (L): CA 54.760 54.760 53.410 1.351 RESID 223 (L): CB 41.600 41.600 42.738 -1.138 RESID 223 (L): H 9.269 9.269 8.191 1.078 RESID 224 (A): N 126.800 126.800 128.006 -1.206 RESID 224 (A): C 177.400 177.400 175.853 1.547 RESID 224 (A): CA 52.460 52.460 50.977 1.483 RESID 224 (A): CB 18.650 18.650 20.828 -2.179 RESID 224 (A): H 9.077 9.077 8.093 0.984 RESID 225 (K): N 123.400 123.400 121.317 2.083 RESID 225 (K): C 176.800 176.800 176.194 0.606 RESID 225 (K): CA 55.600 55.600 55.594 0.006 RESID 225 (K): CB 33.080 33.080 32.890 0.190 RESID 225 (K): H 8.601 8.601 8.368 0.233 RESID 226 (L): N 126.200 126.200 128.048 -1.848 RESID 226 (L): C 175.500 175.500 175.602 -0.102 RESID 226 (L): CA 53.420 53.420 53.921 -0.501 RESID 226 (L): CB 41.720 41.720 41.260 0.460 RESID 226 (L): H 8.634 8.634 8.518 0.116 RESID 227 (P): C 176.800 176.800 177.054 -0.254 RESID 227 (P): CA 62.860 62.860 62.903 -0.043 RESID 227 (P): CB 32.360 32.360 32.181 0.179 RESID 228 (A): N 124.900 124.900 124.817 0.083 RESID 228 (A): C 179.500 179.500 178.444 1.056 RESID 228 (A): CA 54.120 54.120 53.371 0.749 RESID 228 (A): CB 18.710 18.710 18.702 0.008 RESID 228 (A): H 8.412 8.412 8.507 -0.095 RESID 229 (G): N 107.700 107.700 107.476 0.224 RESID 229 (G): C 175.000 175.000 175.987 -0.987 RESID 229 (G): CA 46.040 46.040 45.419 0.621 RESID 229 (G): H 8.565 8.565 8.089 0.476 RESID 230 (L): N 121.100 121.100 122.331 -1.231 RESID 230 (L): C 176.900 176.900 178.333 -1.433 RESID 230 (L): CA 55.620 55.620 55.523 0.097 RESID 230 (L): CB 42.630 42.630 41.687 0.944 RESID 230 (L): H 7.454 7.454 7.883 -0.429 RESID 231 (N): N 119.400 119.400 119.836 -0.436 RESID 231 (N): C 175.300 175.300 175.905 -0.605 RESID 231 (N): CA 53.650 53.650 56.138 -2.488 RESID 231 (N): CB 38.940 38.940 37.996 0.944 RESID 231 (N): H 8.211 8.211 8.052 0.159 RESID 232 (A): N 124.500 124.500 119.556 4.944 RESID 232 (A): C 178.100 178.100 178.056 0.044 RESID 232 (A): CA 53.110 53.110 51.687 1.423 RESID 232 (A): CB 19.340 19.340 18.045 1.295 RESID 232 (A): H 8.103 8.103 7.933 0.170 RESID 233 (S): N 115.200 115.200 115.238 -0.038 RESID 233 (S): C 175.100 175.100 175.583 -0.483 RESID 233 (S): CA 59.280 59.280 61.005 -1.725 RESID 233 (S): CB 64.280 64.280 63.336 0.944 RESID 233 (S): H 8.169 8.169 8.438 -0.269 RESID 234 (Q): N 122.100 122.100 120.660 1.440 RESID 234 (Q): C 176.400 176.400 175.690 0.710 RESID 234 (Q): CA 56.240 56.240 56.080 0.160 RESID 234 (Q): CB 29.490 29.490 30.802 -1.312 RESID 234 (Q): H 8.230 8.230 7.796 0.434 RESID 235 (S): N 117.100 117.100 118.086 -0.986 RESID 235 (S): C 174.900 174.900 174.646 0.254 RESID 235 (S): CA 58.910 58.910 58.867 0.043 RESID 235 (S): CB 64.510 64.510 62.899 1.611 RESID 235 (S): H 8.229 8.229 8.446 -0.217 RESID 236 (Q): N 122.300 122.300 127.156 -4.856 RESID 236 (Q): C 176.700 176.700 175.443 1.257 RESID 236 (Q): CA 56.610 56.610 55.500 1.110 RESID 236 (Q): CB 29.280 29.280 27.629 1.651 RESID 236 (Q): H 8.372 8.372 8.868 -0.496 RESID 237 (G): N 110.400 110.400 109.023 1.377 RESID 237 (G): C 174.100 174.100 172.956 1.144 RESID 237 (G): CA 45.720 45.720 45.478 0.242 RESID 237 (G): H 8.381 8.381 7.584 0.797 RESID 238 (K): N 120.500 120.500 121.487 -0.987 RESID 238 (K): C 176.600 176.600 175.493 1.107 RESID 238 (K): CA 56.490 56.490 55.996 0.494 RESID 238 (K): CB 33.320 33.320 32.781 0.539 RESID 238 (K): H 7.968 7.968 8.358 -0.390 RESID 239 (R): N 120.900 120.900 124.961 -4.061 RESID 239 (R): CA 56.130 56.130 55.951 0.179 RESID 239 (R): CB 31.560 31.560 30.903 0.657 RESID 239 (R): H 8.159 8.159 8.504 -0.345 RESID 240 (H): C 174.800 174.800 176.536 -1.736 RESID 240 (H): CA 55.740 55.740 58.630 -2.890 RESID 240 (H): CB 29.760 29.760 30.058 -0.298 RESID 241 (D): N 119.800 119.800 119.228 0.572 RESID 241 (D): C 174.700 174.700 176.273 -1.573 RESID 241 (D): CA 55.500 55.500 56.013 -0.513 RESID 241 (D): CB 40.550 40.550 41.228 -0.678 RESID 241 (D): H 9.052 9.052 8.396 0.656 RESID 242 (I): N 115.200 115.200 114.928 0.272 RESID 242 (I): C 175.600 175.600 174.387 1.213 RESID 242 (I): CA 59.090 59.090 59.404 -0.313 RESID 242 (I): CB 43.670 43.670 40.932 2.738 RESID 242 (I): H 7.087 7.087 7.412 -0.325 RESID 243 (I): N 125.100 125.100 126.011 -0.911 RESID 243 (I): C 175.300 175.300 174.263 1.037 RESID 243 (I): CA 60.340 60.340 60.651 -0.311 RESID 243 (I): CB 41.290 41.290 38.344 2.946 RESID 243 (I): H 8.746 8.746 8.534 0.212 RESID 244 (Q): N 128.400 128.400 127.507 0.893 RESID 244 (Q): C 175.300 175.300 174.251 1.049 RESID 244 (Q): CA 56.460 56.460 54.918 1.542 RESID 244 (Q): CB 29.800 29.800 29.830 -0.030 RESID 244 (Q): H 8.768 8.768 8.593 0.175 RESID 245 (L): N 125.500 125.500 123.510 1.990 RESID 245 (L): C 176.200 176.200 176.617 -0.417 RESID 245 (L): CA 53.790 53.790 53.116 0.674 RESID 245 (L): CB 45.100 45.100 44.852 0.248 RESID 245 (L): H 8.640 8.640 8.364 0.276 RESID 246 (G): N 109.700 109.700 105.038 4.662 RESID 246 (G): C 174.200 174.200 174.336 -0.136 RESID 246 (G): CA 44.590 44.590 45.024 -0.434 RESID 246 (G): H 8.424 8.424 8.445 -0.021 RESID 247 (G): N 108.500 108.500 108.646 -0.146 RESID 247 (G): C 176.800 176.800 174.986 1.814 RESID 247 (G): CA 47.500 47.500 44.350 3.150 RESID 247 (G): H 8.666 8.666 7.739 0.927 RESID 248 (E): N 123.700 123.700 121.097 2.603 RESID 248 (E): C 177.300 177.300 176.539 0.761 RESID 248 (E): CA 58.560 58.560 57.486 1.074 RESID 248 (E): CB 29.330 29.330 29.308 0.022 RESID 248 (E): H 9.265 9.265 8.805 0.460 RESID 249 (N): N 116.700 116.700 116.275 0.425 RESID 249 (N): C 175.500 175.500 175.986 -0.486 RESID 249 (N): CA 53.490 53.490 53.741 -0.251 RESID 249 (N): CB 39.390 39.390 38.648 0.742 RESID 249 (N): H 7.963 7.963 7.519 0.444 RESID 250 (L): N 121.100 121.100 119.929 1.171 RESID 250 (L): C 177.100 177.100 178.093 -0.993 RESID 250 (L): CA 58.810 58.810 56.965 1.845 RESID 250 (L): CB 42.220 42.220 41.460 0.760 RESID 250 (L): H 7.104 7.104 7.783 -0.679 RESID 251 (A): N 117.400 117.400 122.502 -5.102 RESID 251 (A): C 179.500 179.500 178.166 1.334 RESID 251 (A): CA 55.340 55.340 54.653 0.687 RESID 251 (A): CB 17.960 17.960 18.390 -0.430 RESID 251 (A): H 8.141 8.141 8.312 -0.171 RESID 252 (A): N 117.400 117.400 118.626 -1.226 RESID 252 (A): C 179.100 179.100 178.314 0.786 RESID 252 (A): CA 53.990 53.990 52.376 1.614 RESID 252 (A): CB 18.970 18.970 18.976 -0.006 RESID 252 (A): H 7.375 7.375 8.411 -1.036 RESID 253 (G): N 100.600 100.600 107.900 -7.300 RESID 253 (G): C 172.700 172.700 174.796 -2.096 RESID 253 (G): CA 45.380 45.380 45.014 0.366 RESID 253 (G): H 7.589 7.589 7.578 0.011 RESID 254 (L): N 124.800 124.800 122.847 1.953 RESID 254 (L): C 175.300 175.300 177.573 -2.273 RESID 254 (L): CA 53.020 53.020 54.874 -1.854 RESID 254 (L): CB 39.090 39.090 42.105 -3.014 RESID 254 (L): H 7.202 7.202 7.779 -0.577 RESID 255 (N): N 113.800 113.800 121.921 -8.121 RESID 255 (N): C 176.600 176.600 176.070 0.530 RESID 255 (N): CA 53.420 53.420 53.801 -0.381 RESID 255 (N): CB 37.600 37.600 38.793 -1.193 RESID 255 (N): H 7.701 7.701 8.904 -1.203 RESID 256 (G): N 109.100 109.100 106.640 2.460 RESID 256 (G): C 172.200 172.200 174.590 -2.390 RESID 256 (G): CA 45.790 45.790 45.337 0.453 RESID 256 (G): H 7.856 7.856 8.553 -0.698 RESID 257 (E): N 120.100 120.100 118.544 1.556 RESID 257 (E): C 176.900 176.900 175.621 1.279 RESID 257 (E): CA 57.880 57.880 56.596 1.284 RESID 257 (E): CB 29.760 29.760 30.550 -0.790 RESID 257 (E): H 8.443 8.443 8.662 -0.219 RESID 258 (S): N 107.500 107.500 113.448 -5.948 RESID 258 (S): C 172.500 172.500 172.495 0.005 RESID 258 (S): CA 58.010 58.010 58.661 -0.651 RESID 258 (S): CB 66.360 66.360 63.905 2.455 RESID 258 (S): H 7.176 7.176 7.971 -0.795 RESID 259 (L): N 124.900 124.900 127.663 -2.763 RESID 259 (L): C 173.900 173.900 176.465 -2.565 RESID 259 (L): CA 53.630 53.630 54.439 -0.809 RESID 259 (L): CB 46.240 46.240 42.493 3.747 RESID 259 (L): H 8.969 8.969 8.025 0.944 RESID 260 (F): N 123.700 123.700 122.960 0.740 RESID 260 (F): C 174.200 174.200 176.034 -1.834 RESID 260 (F): CA 56.460 56.460 54.909 1.551 RESID 260 (F): CB 41.560 41.560 40.531 1.029 RESID 260 (F): H 9.295 9.295 8.136 1.159 RESID 261 (L): N 123.900 123.900 120.109 3.791 RESID 261 (L): C 177.600 177.600 177.097 0.503 RESID 261 (L): CA 54.010 54.010 53.189 0.821 RESID 261 (L): CB 41.470 41.470 45.521 -4.051 RESID 261 (L): H 9.034 9.034 8.182 0.852 RESID 262 (F): N 123.800 123.800 122.235 1.565 RESID 262 (F): C 175.500 175.500 175.821 -0.321 RESID 262 (F): CA 58.850 58.850 56.979 1.871 RESID 262 (F): CB 39.930 39.930 38.498 1.433 RESID 262 (F): H 9.338 9.338 9.106 0.232 RESID 263 (A): N 121.900 121.900 124.119 -2.219 RESID 263 (A): C 175.300 175.300 177.030 -1.730 RESID 263 (A): CA 53.630 53.630 52.663 0.967 RESID 263 (A): CB 19.700 19.700 16.805 2.895 RESID 263 (A): H 8.902 8.902 8.292 0.610 RESID 264 (G): N 104.500 104.500 111.553 -7.053 RESID 264 (G): C 171.100 171.100 172.736 -1.636 RESID 264 (G): CA 45.540 45.540 45.054 0.485 RESID 264 (G): H 6.746 6.746 7.866 -1.120 RESID 265 (D): N 122.300 122.300 122.680 -0.380 RESID 265 (D): C 177.300 177.300 177.272 0.028 RESID 265 (D): CA 51.660 51.660 52.784 -1.124 RESID 265 (D): CB 42.840 42.840 42.244 0.596 RESID 265 (D): H 9.052 9.052 8.116 0.936 RESID 266 (Q): N 118.400 118.400 119.611 -1.211 RESID 266 (Q): C 177.600 177.600 177.457 0.143 RESID 266 (Q): CA 58.620 58.620 59.069 -0.449 RESID 266 (Q): CB 28.490 28.490 28.646 -0.156 RESID 266 (Q): H 8.277 8.277 8.605 -0.328 RESID 267 (K): N 117.700 117.700 118.790 -1.090 RESID 267 (K): C 180.400 180.400 178.091 2.309 RESID 267 (K): CA 59.390 59.390 59.555 -0.165 RESID 267 (K): CB 31.440 31.440 31.786 -0.346 RESID 267 (K): H 7.879 7.879 7.921 -0.042 RESID 268 (D): N 121.600 121.600 119.653 1.947 RESID 268 (D): C 177.400 177.400 178.340 -0.940 RESID 268 (D): CA 57.980 57.980 56.979 1.001 RESID 268 (D): CB 41.550 41.550 40.250 1.300 RESID 268 (D): H 7.640 7.640 8.120 -0.480 RESID 269 (A): N 121.700 121.700 121.481 0.219 RESID 269 (A): C 179.000 179.000 178.414 0.586 RESID 269 (A): CA 55.640 55.640 54.925 0.715 RESID 269 (A): CB 17.490 17.490 18.195 -0.705 RESID 269 (A): H 7.370 7.370 7.622 -0.252 RESID 270 (D): N 118.200 118.200 117.953 0.247 RESID 270 (D): C 179.300 179.300 176.509 2.791 RESID 270 (D): CA 57.570 57.570 56.302 1.268 RESID 270 (D): CB 39.860 39.860 40.246 -0.386 RESID 270 (D): H 8.735 8.735 7.958 0.777 RESID 271 (A): N 122.900 122.900 119.885 3.015 RESID 271 (A): C 180.800 180.800 179.327 1.473 RESID 271 (A): CA 55.040 55.040 53.561 1.479 RESID 271 (A): CB 18.300 18.300 19.320 -1.020 RESID 271 (A): H 7.579 7.579 7.037 0.542 RESID 272 (I): N 0.000 0.000 120.484 -120.484 RESID 272 (I): C 178.300 178.300 176.953 1.347 RESID 272 (I): CA 63.880 63.880 64.656 -0.776 RESID 272 (I): CB 35.710 35.710 38.130 -2.420 RESID 272 (I): H 7.340 7.340 8.397 -1.057 RESID 273 (Y): N 116.300 116.300 116.977 -0.677 RESID 273 (Y): C 177.000 177.000 176.786 0.214 RESID 273 (Y): CA 61.100 61.100 58.305 2.795 RESID 273 (Y): CB 37.770 37.770 35.834 1.936 RESID 273 (Y): H 7.509 7.509 7.298 0.211 RESID 274 (A): N 118.600 118.600 121.850 -3.250 RESID 274 (A): C 177.200 177.200 177.197 0.003 RESID 274 (A): CA 52.030 52.030 53.007 -0.977 RESID 274 (A): CB 19.580 19.580 19.415 0.165 RESID 274 (A): H 7.495 7.495 7.817 -0.322 RESID 275 (N): N 119.900 119.900 118.245 1.655 RESID 275 (N): C 175.700 175.700 174.011 1.689 RESID 275 (N): CA 51.030 51.030 51.360 -0.330 RESID 275 (N): CB 38.590 38.590 37.036 1.554 RESID 275 (N): H 7.200 7.200 7.962 -0.762 RESID 276 (P): C 178.900 178.900 178.498 0.402 RESID 276 (P): CA 65.190 65.190 65.455 -0.265 RESID 276 (P): CB 32.440 32.440 32.043 0.397 RESID 277 (L): N 116.700 116.700 117.430 -0.730 RESID 277 (L): C 178.000 178.000 178.895 -0.895 RESID 277 (L): CA 56.630 56.630 57.551 -0.921 RESID 277 (L): CB 41.720 41.720 41.501 0.219 RESID 277 (L): H 7.777 7.777 7.929 -0.152 RESID 278 (L): N 115.100 115.100 116.595 -1.495 RESID 278 (L): C 176.600 176.600 177.883 -1.283 RESID 278 (L): CA 53.200 53.200 54.951 -1.751 RESID 278 (L): CB 40.960 40.960 41.317 -0.357 RESID 278 (L): H 7.485 7.485 7.680 -0.195 RESID 279 (A): N 118.600 118.600 123.080 -4.480 RESID 279 (A): C 177.700 177.700 177.801 -0.101 RESID 279 (A): CA 55.090 55.090 54.368 0.722 RESID 279 (A): CB 19.710 19.710 18.596 1.114 RESID 279 (A): H 6.665 6.665 7.907 -1.242 RESID 280 (H): N 111.600 111.600 115.284 -3.684 RESID 280 (H): C 175.500 175.500 175.212 0.288 RESID 280 (H): CA 55.360 55.360 56.248 -0.888 RESID 280 (H): CB 29.540 29.540 28.653 0.887 RESID 280 (H): H 8.337 8.337 8.188 0.149 RESID 281 (L): N 124.100 124.100 122.562 1.538 RESID 281 (L): C 176.300 176.300 175.883 0.417 RESID 281 (L): CA 53.330 53.330 52.977 0.353 RESID 281 (L): CB 40.490 40.490 41.919 -1.429 RESID 281 (L): H 7.289 7.289 7.451 -0.162 RESID 282 (P): C 178.200 178.200 178.390 -0.190 RESID 282 (P): CA 66.050 66.050 65.719 0.331 RESID 282 (P): CB 32.150 32.150 31.713 0.437 RESID 283 (A): N 116.000 116.000 119.137 -3.137 RESID 283 (A): C 179.000 179.000 179.830 -0.830 RESID 283 (A): CA 55.630 55.630 55.202 0.428 RESID 283 (A): CB 19.490 19.490 18.185 1.305 RESID 283 (A): H 7.969 7.969 8.429 -0.460 RESID 284 (V): N 115.200 115.200 118.484 -3.284 RESID 284 (V): C 180.000 180.000 178.930 1.070 RESID 284 (V): CA 65.640 65.640 65.888 -0.248 RESID 284 (V): CB 32.560 32.560 30.814 1.746 RESID 284 (V): H 6.557 6.557 7.680 -1.123 RESID 285 (Q): N 121.200 121.200 120.464 0.736 RESID 285 (Q): C 178.000 178.000 177.659 0.341 RESID 285 (Q): CA 59.500 59.500 58.804 0.696 RESID 285 (Q): CB 29.080 29.080 28.605 0.475 RESID 285 (Q): H 8.581 8.581 7.836 0.745 RESID 286 (N): N 112.600 112.600 114.003 -1.403 RESID 286 (N): C 174.500 174.500 173.863 0.637 RESID 286 (N): CA 53.160 53.160 52.719 0.441 RESID 286 (N): CB 38.390 38.390 38.724 -0.334 RESID 286 (N): H 8.117 8.117 8.043 0.074 RESID 287 (K): N 118.500 118.500 115.859 2.641 RESID 287 (K): C 176.100 176.100 176.253 -0.153 RESID 287 (K): CA 57.540 57.540 57.316 0.224 RESID 287 (K): CB 28.570 28.570 29.551 -0.981 RESID 287 (K): H 7.724 7.724 7.713 0.011 RESID 288 (Q): N 119.700 119.700 117.154 2.546 RESID 288 (Q): C 173.700 173.700 174.086 -0.386 RESID 288 (Q): CA 52.970 52.970 54.849 -1.879 RESID 288 (Q): CB 28.640 28.640 28.917 -0.277 RESID 288 (Q): H 8.895 8.895 8.433 0.462 RESID 289 (V): N 119.200 119.200 118.590 0.610 RESID 289 (V): C 175.100 175.100 175.068 0.032 RESID 289 (V): CA 61.600 61.600 61.073 0.527 RESID 289 (V): CB 32.610 32.610 33.820 -1.210 RESID 289 (V): H 6.246 6.246 6.909 -0.663 RESID 290 (Y): N 125.700 125.700 124.041 1.659 RESID 290 (Y): C 174.100 174.100 174.440 -0.340 RESID 290 (Y): CA 56.830 56.830 56.416 0.414 RESID 290 (Y): CB 40.950 40.950 42.817 -1.867 RESID 290 (Y): H 8.682 8.682 8.962 -0.280 RESID 291 (A): N 126.900 126.900 122.037 4.863 RESID 291 (A): C 178.300 178.300 176.719 1.581 RESID 291 (A): CA 51.560 51.560 50.374 1.186 RESID 291 (A): CB 19.670 19.670 21.287 -1.617 RESID 291 (A): H 9.057 9.057 8.657 0.400 RESID 292 (L): N 120.800 120.800 119.815 0.985 RESID 292 (L): C 175.500 175.500 176.250 -0.750 RESID 292 (L): CA 54.880 54.880 54.278 0.602 RESID 292 (L): CB 42.490 42.490 42.264 0.226 RESID 292 (L): H 8.342 8.342 8.919 -0.577 RESID 293 (G): N 107.500 107.500 103.820 3.680 RESID 293 (G): C 177.600 177.600 174.102 3.498 RESID 293 (G): CA 45.110 45.110 44.436 0.674 RESID 293 (G): H 7.973 7.973 7.389 0.584 RESID 294 (T): N 117.800 117.800 116.726 1.074 RESID 294 (T): C 176.400 176.400 176.007 0.393 RESID 294 (T): CA 65.260 65.260 65.174 0.086 RESID 294 (T): CB 68.310 68.310 69.160 -0.851 RESID 294 (T): H 8.808 8.808 8.575 0.233 RESID 295 (E): N 122.100 122.100 119.931 2.169 RESID 295 (E): C 177.700 177.700 176.570 1.130 RESID 295 (E): CA 58.540 58.540 58.300 0.241 RESID 295 (E): CB 29.010 29.010 28.777 0.233 RESID 295 (E): H 10.380 10.380 8.841 1.539 RESID 296 (T): N 103.000 103.000 108.644 -5.644 RESID 296 (T): C 173.600 173.600 174.312 -0.712 RESID 296 (T): CA 62.320 62.320 61.207 1.113 RESID 296 (T): CB 69.170 69.170 67.757 1.413 RESID 296 (T): H 7.062 7.062 7.906 -0.844 RESID 297 (F): N 121.500 121.500 123.067 -1.567 RESID 297 (F): C 174.500 174.500 175.862 -1.362 RESID 297 (F): CA 61.700 61.700 61.048 0.652 RESID 297 (F): CB 39.640 39.640 39.777 -0.137 RESID 297 (F): H 8.108 8.108 7.808 0.300 RESID 298 (R): N 116.800 116.800 119.757 -2.957 RESID 298 (R): C 176.000 176.000 175.097 0.903 RESID 298 (R): CA 54.160 54.160 55.754 -1.593 RESID 298 (R): CB 32.460 32.460 31.101 1.359 RESID 298 (R): H 7.552 7.552 8.257 -0.705 RESID 299 (L): N 125.500 125.500 126.200 -0.700 RESID 299 (L): C 174.800 174.800 174.665 0.135 RESID 299 (L): CA 54.300 54.300 53.940 0.360 RESID 299 (L): CB 41.670 41.670 43.986 -2.316 RESID 299 (L): H 8.903 8.903 8.404 0.499 RESID 300 (D): N 124.600 124.600 123.644 0.956 RESID 300 (D): C 173.400 173.400 175.498 -2.098 RESID 300 (D): CA 51.880 51.880 53.114 -1.234 RESID 300 (D): CB 43.230 43.230 42.410 0.820 RESID 300 (D): H 7.735 7.735 8.775 -1.040 RESID 301 (Y): N 118.100 118.100 121.265 -3.165 RESID 301 (Y): C 175.300 175.300 176.201 -0.901 RESID 301 (Y): CA 61.650 61.650 63.307 -1.657 RESID 301 (Y): CB 38.740 38.740 38.678 0.062 RESID 301 (Y): H 7.943 7.943 8.958 -1.015 RESID 302 (Y): N 112.300 112.300 115.551 -3.251 RESID 302 (Y): C 180.800 180.800 177.718 3.082 RESID 302 (Y): CA 61.970 61.970 60.937 1.033 RESID 302 (Y): CB 37.990 37.990 38.106 -0.116 RESID 302 (Y): H 7.309 7.309 8.119 -0.810 RESID 303 (S): N 119.100 119.100 115.734 3.366 RESID 303 (S): C 176.300 176.300 176.593 -0.293 RESID 303 (S): CA 60.690 60.690 61.245 -0.555 RESID 303 (S): CB 63.180 63.180 62.151 1.029 RESID 303 (S): H 9.411 9.411 9.430 -0.019 RESID 304 (A): N 126.900 126.900 125.708 1.192 RESID 304 (A): C 180.400 180.400 179.391 1.009 RESID 304 (A): CA 56.000 56.000 54.959 1.041 RESID 304 (A): CB 18.040 18.040 17.849 0.191 RESID 304 (A): H 8.860 8.860 7.852 1.008 RESID 305 (M): N 116.600 116.600 117.958 -1.358 RESID 305 (M): C 179.300 179.300 178.887 0.413 RESID 305 (M): CA 57.880 57.880 59.752 -1.872 RESID 305 (M): CB 31.350 31.350 32.370 -1.020 RESID 305 (M): H 7.346 7.346 7.498 -0.152 RESID 306 (Q): N 119.300 119.300 118.778 0.522 RESID 306 (Q): C 179.000 179.000 178.835 0.165 RESID 306 (Q): CA 59.410 59.410 58.874 0.536 RESID 306 (Q): CB 28.450 28.450 28.817 -0.367 RESID 306 (Q): H 7.633 7.633 7.765 -0.132 RESID 308 (L): C 178.700 178.700 178.478 0.222 RESID 308 (L): CA 58.690 58.690 58.430 0.260 RESID 308 (L): CB 41.790 41.790 41.383 0.407 RESID 309 (D): N 119.100 119.100 119.102 -0.002 RESID 309 (D): C 179.600 179.600 178.892 0.708 RESID 309 (D): CA 57.830 57.830 57.569 0.262 RESID 309 (D): CB 40.820 40.820 40.325 0.495 RESID 309 (D): H 7.984 7.984 8.048 -0.064 RESID 310 (R): N 121.700 121.700 120.623 1.077 RESID 310 (R): C 178.900 178.900 178.718 0.182 RESID 310 (R): CA 58.590 58.590 59.203 -0.613 RESID 310 (R): CB 29.820 29.820 30.152 -0.332 RESID 310 (R): H 8.463 8.463 7.609 0.854 RESID 311 (L): N 119.200 119.200 119.998 -0.798 RESID 311 (L): C 178.800 178.800 178.715 0.085 RESID 311 (L): CA 58.380 58.380 58.132 0.248 RESID 311 (L): CB 42.340 42.340 41.851 0.489 RESID 311 (L): H 8.489 8.489 8.333 0.156 RESID 312 (K): N 116.500 116.500 118.794 -2.294 RESID 312 (K): C 178.000 178.000 178.437 -0.437 RESID 312 (K): CA 59.250 59.250 59.202 0.048 RESID 312 (K): CB 32.440 32.440 32.486 -0.046 RESID 312 (K): H 7.955 7.955 8.262 -0.307 RESID 313 (A): N 119.500 119.500 120.926 -1.426 RESID 313 (A): C 180.000 180.000 178.733 1.267 RESID 313 (A): CA 53.920 53.920 53.528 0.392 RESID 313 (A): CB 18.800 18.800 19.209 -0.409 RESID 313 (A): H 7.427 7.427 7.761 -0.334 RESID 314 (L): N 119.500 119.500 118.981 0.519 RESID 314 (L): C 177.400 177.400 176.563 0.837 RESID 314 (L): CA 56.770 56.770 57.121 -0.351 RESID 314 (L): CB 43.730 43.730 42.322 1.408 RESID 314 (L): H 7.431 7.431 8.107 -0.676 N HA C CA CB H RESID 26 (W): -3.333 ----- -0.883 0.346 3.240 0.223 RESID 27 (P): ----- ----- 0.000 -0.301 4.948 ----- RESID 28 (R): -3.871 ----- -1.402 0.736 0.766 0.078 RESID 29 (Q): -0.863 ----- 0.587 -1.264 1.451 -0.078 RESID 30 (I): -1.795 ----- 0.571 -0.925 -0.476 1.084 RESID 31 (T): 3.210 ----- 0.734 -1.323 1.054 0.589 RESID 32 (D): 5.670 ----- 1.413 0.809 -0.483 1.405 RESID 33 (S): -4.438 ----- -0.563 0.396 -0.376 -0.218 RESID 34 (R): -2.387 ----- -0.632 -3.661 0.179 0.472 RESID 35 (G): 5.170 ----- -2.250 -0.502 ----- -0.757 RESID 36 (T): 0.143 ----- 0.780 0.026 -0.083 0.582 RESID 37 (H): 0.487 ----- 0.718 -1.277 -2.022 0.361 RESID 38 (T): 4.475 ----- 1.395 2.120 -1.252 1.614 RESID 39 (L): 7.230 ----- 0.098 0.514 -0.930 0.477 RESID 40 (E): -1.647 ----- -0.322 0.303 0.487 0.135 RESID 41 (S): -1.820 ----- -1.479 -0.878 0.601 -0.156 RESID 42 (Q): 3.300 ----- -0.147 -2.033 0.555 -1.264 RESID 43 (P): ----- ----- -0.352 0.790 0.089 ----- RESID 44 (Q): 2.614 ----- -0.609 -1.507 2.863 2.636 RESID 45 (R): 8.302 ----- 0.488 0.099 -0.040 2.462 RESID 47 (V): ----- ----- 0.324 -0.259 -0.130 ----- RESID 48 (S): -2.082 ----- 2.095 -1.759 -1.126 -0.612 RESID 49 (T): 5.348 ----- -2.758 0.883 -0.247 -0.094 RESID 50 (S): -0.521 ----- -0.551 -2.062 0.008 -0.107 RESID 51 (V): 4.929 ----- -2.720 -0.228 -0.097 0.167 RESID 52 (T): 0.577 ----- 3.170 1.158 0.564 -0.172 RESID 53 (L): 1.097 ----- 0.310 -0.749 0.815 -0.532 RESID 54 (T): 1.769 ----- -1.730 -0.675 ----- -0.089 RESID 55 (G): -3.719 ----- -0.213 0.291 ----- -1.268 RESID 56 (S): -0.755 ----- -1.151 1.841 1.961 -1.238 RESID 58 (L): ----- ----- 1.773 -0.258 -0.115 ----- RESID 59 (A): -0.789 ----- -0.265 0.735 -0.327 -0.318 RESID 60 (I): ----- ----- -1.533 0.197 0.394 ----- RESID 61 (D): -2.543 ----- 0.226 0.050 -0.048 -0.008 RESID 62 (A): -3.303 ----- 2.693 -0.849 -1.654 0.109 RESID 63 (P): ----- ----- -2.112 0.645 -4.715 ----- RESID 64 (V): 3.783 ----- -0.918 -1.445 -0.755 0.431 RESID 65 (I): -4.409 ----- 1.528 -3.025 1.269 0.256 RESID 66 (A): 4.220 ----- -0.129 0.688 1.448 -0.442 RESID 67 (S): -5.111 ----- 2.278 -2.068 -2.416 0.230 RESID 68 (G): 5.637 ----- -1.609 2.055 ----- -1.117 RESID 69 (A): -3.691 ----- 2.674 -1.165 2.058 -0.830 RESID 70 (T): 5.427 ----- -2.715 -3.128 1.105 1.016 RESID 71 (T): -5.276 ----- -0.410 0.051 1.578 -0.797 RESID 72 (P): ----- ----- 0.959 -0.181 0.713 ----- RESID 73 (N): -4.562 ----- -1.622 0.739 -1.458 -0.709 RESID 74 (N): ----- ----- -1.151 5.017 0.354 ----- RESID 75 (R): -6.300 ----- -0.156 1.079 1.047 -0.290 RESID 76 (V): -10.294 ----- 0.059 -2.926 2.039 -0.826 RESID 77 (A): 5.923 ----- -1.082 -1.044 5.113 0.723 RESID 78 (D): 1.791 ----- 2.211 -0.933 0.362 0.431 RESID 79 (D): 0.870 ----- 0.283 1.056 0.871 -0.165 RESID 80 (Q): -4.333 ----- -1.185 -1.521 2.384 -0.176 RESID 81 (G): -0.018 ----- 0.848 0.948 ----- -0.650 RESID 82 (F): 0.589 ----- -0.440 -4.261 -2.631 0.289 RESID 83 (L): ----- ----- 0.968 0.332 -3.482 ----- RESID 84 (R): 0.372 ----- 0.783 3.513 1.656 -0.685 RESID 85 (Q): -2.584 ----- -2.664 0.226 -3.182 1.874 RESID 86 (W): -6.515 ----- -1.780 -5.095 -2.065 -1.955 RESID 87 (S): 3.750 ----- 1.472 0.516 ----- -1.280 RESID 88 (K): -3.947 ----- 0.181 0.469 -0.091 0.978 RESID 89 (V): 6.357 ----- 0.812 0.081 0.502 -0.700 RESID 90 (A): -0.406 ----- 1.093 1.377 1.427 0.691 RESID 91 (K): -0.409 ----- 3.031 1.008 -0.004 -0.246 RESID 92 (E): 5.040 ----- 1.515 2.296 -0.645 0.488 RESID 93 (R): -3.142 ----- 0.309 0.789 -1.516 -0.265 RESID 94 (K): 1.793 ----- 0.665 -0.681 -1.449 -0.715 RESID 95 (L): -1.082 ----- 0.277 0.722 1.028 0.046 RESID 96 (Q): 0.412 ----- -0.960 0.633 0.332 -0.880 RESID 97 (R): 6.438 ----- 0.587 -0.993 1.615 0.500 RESID 98 (L): 3.459 ----- -0.422 2.402 3.357 -0.443 RESID 99 (Y): -2.007 ----- -1.396 -0.829 -0.986 -1.353 RESID 100 (I): -6.176 ----- -0.343 -1.812 3.583 0.104 RESID 101 (G): 0.891 ----- -0.699 2.207 ----- -0.241 RESID 102 (E): 10.911 ----- -0.768 0.493 2.039 0.292 RESID 103 (P): ----- ----- -0.925 -1.496 -0.111 ----- RESID 104 (S): -4.807 ----- 0.126 -2.623 -0.006 -2.533 RESID 105 (A): 0.234 ----- 0.330 0.785 -0.846 0.302 RESID 106 (E): 0.366 ----- 0.446 1.244 -0.476 0.144 RESID 107 (A): -0.521 ----- 0.365 -0.285 0.779 -0.130 RESID 108 (V): -1.936 ----- -0.804 0.959 -0.304 -0.496 RESID 109 (A): -1.440 ----- 1.874 0.619 -0.140 0.140 RESID 110 (A): -0.752 ----- 0.257 -0.250 -0.028 -0.333 RESID 111 (Q): -1.090 ----- -1.059 0.914 -0.128 -0.288 RESID 112 (M): -6.159 ----- 0.054 0.342 -1.443 -0.063 RESID 113 (P): ----- ----- 0.454 0.241 0.406 ----- RESID 114 (D): -2.196 ----- -0.088 -2.128 -1.786 0.619 RESID 115 (L): ----- ----- 0.613 -1.399 ----- ----- RESID 116 (I): -2.830 ----- ----- -0.120 ----- 1.322 RESID 118 (I): ----- ----- -0.979 0.429 1.022 ----- RESID 119 (S): 0.435 ----- 0.592 -0.584 0.683 1.042 RESID 120 (A): 1.554 ----- -0.490 -0.048 1.519 -0.501 RESID 121 (T): -4.146 ----- -0.114 -2.442 1.606 -0.220 RESID 122 (G): -6.482 ----- 3.069 -0.758 ----- 0.153 RESID 123 (G): ----- ----- -0.210 1.041 ----- ----- RESID 124 (D): -2.425 ----- 0.973 -0.601 0.053 0.824 RESID 125 (S): -4.089 ----- 1.655 0.070 0.140 -1.105 RESID 126 (A): 4.746 ----- -1.952 -2.346 -2.237 0.256 RESID 127 (L): -0.021 ----- 0.539 1.473 1.234 -0.801 RESID 128 (A): 3.398 ----- 0.731 0.812 -0.493 1.290 RESID 129 (L): 0.541 ----- -0.906 -1.267 -0.367 0.361 RESID 130 (Y): -0.884 ----- 0.296 1.526 1.050 -1.096 RESID 131 (D): 1.165 ----- -0.092 0.622 0.297 0.917 RESID 132 (Q): -0.983 ----- 0.277 0.197 0.580 -0.144 RESID 133 (L): -0.311 ----- -0.716 0.333 -0.810 -0.450 RESID 134 (S): -3.198 ----- -0.497 0.322 0.778 -0.329 RESID 135 (T): -5.226 ----- -1.180 -2.041 0.659 -0.642 RESID 136 (I): 3.955 ----- 0.246 -0.068 0.347 0.416 RESID 137 (A): 1.978 ----- -1.617 -0.137 -0.143 -0.473 RESID 138 (P): ----- ----- -1.515 1.207 0.033 ----- RESID 139 (T): 1.931 ----- -0.094 -1.564 1.863 -0.176 RESID 140 (L): ----- ----- 0.592 -0.787 0.717 ----- RESID 141 (I): -2.426 ----- 1.120 -1.044 1.158 1.432 RESID 142 (I): 1.937 ----- 0.238 -1.959 -2.272 0.192 RESID 143 (N): 5.035 ----- 0.439 -1.829 0.039 0.738 RESID 144 (Y): -5.524 ----- 1.783 -3.570 -0.268 0.267 RESID 145 (D): 0.785 ----- 1.735 -0.181 3.345 0.435 RESID 146 (D): 3.904 ----- -0.088 -0.366 -1.628 -1.061 RESID 147 (K): -5.709 ----- -0.274 -1.531 -1.807 -0.542 RESID 148 (S): -0.497 ----- -0.392 -0.076 0.747 0.220 RESID 149 (W): 1.649 ----- 2.055 1.320 -0.716 -0.133 RESID 150 (Q): 3.226 ----- 0.265 3.364 -1.193 1.603 RESID 151 (S): 1.275 ----- 0.478 0.610 0.653 0.069 RESID 152 (L): 2.263 ----- 0.579 0.387 0.298 0.050 RESID 153 (L): 0.555 ----- 1.035 1.424 -0.098 0.933 RESID 154 (T): 3.471 ----- 0.306 1.306 0.536 0.121 RESID 155 (Q): 3.465 ----- 1.162 1.362 0.255 0.295 RESID 156 (L): ----- ----- 1.630 0.618 -0.126 ----- RESID 157 (G): 5.797 ----- -0.549 1.800 ----- 1.202 RESID 158 (E): 4.804 ----- 0.618 1.224 0.302 0.016 RESID 160 (T): ----- ----- 2.289 -1.144 2.633 ----- RESID 161 (G): -0.288 ----- 0.426 1.244 ----- -0.878 RESID 162 (H): 4.865 ----- -2.180 -0.504 -2.962 0.674 RESID 163 (E): 1.754 ----- 2.325 1.409 -0.423 1.528 RESID 164 (K): 0.232 ----- -0.094 -0.461 0.307 0.398 RESID 165 (Q): 2.179 ----- 0.666 2.028 -0.266 -0.481 RESID 166 (A): -1.337 ----- -1.429 1.317 0.225 -0.200 RESID 167 (A): -3.039 ----- 1.888 -0.162 -0.306 -1.020 RESID 168 (E): 1.524 ----- 0.467 -0.003 0.457 0.326 RESID 170 (I): ----- ----- 0.004 1.587 1.355 ----- RESID 171 (A): -2.504 ----- 1.361 -0.346 0.147 -0.783 RESID 172 (Q): 2.570 ----- 0.622 0.705 -0.257 0.635 RESID 173 (F): -0.108 ----- -1.000 1.616 0.369 -0.305 RESID 174 (D): 0.889 ----- 1.417 0.539 -0.085 -0.265 RESID 175 (K): 1.094 ----- 1.164 -0.004 0.313 -0.054 RESID 176 (Q): 2.069 ----- 0.771 -0.482 -0.534 0.338 RESID 177 (L): 6.011 ----- -0.275 2.658 -0.160 1.198 RESID 178 (A): -1.071 ----- 1.378 0.195 0.092 -0.540 RESID 179 (A): -0.818 ----- 0.717 0.333 -0.404 0.044 RESID 180 (A): -0.008 ----- 0.088 0.742 -0.273 0.169 RESID 181 (K): 0.181 ----- -0.100 0.633 0.700 0.026 RESID 182 (E): -2.123 ----- -0.127 0.758 1.088 -0.569 RESID 183 (Q): -0.695 ----- 1.024 0.234 0.396 -0.191 RESID 184 (I): 1.929 ----- 0.961 3.252 0.327 0.286 RESID 185 (K): 4.805 ----- -0.014 -0.560 -2.929 0.834 RESID 186 (L): -1.004 ----- -0.189 2.368 0.388 -0.432 RESID 188 (P): ----- ----- -1.454 1.482 1.004 ----- RESID 189 (Q): 0.716 ----- 1.705 -2.390 0.906 -0.166 RESID 190 (P): ----- ----- -0.083 0.458 2.826 ----- RESID 191 (V): -9.054 ----- 0.335 0.234 0.309 0.594 RESID 192 (T): 7.406 ----- 0.218 3.513 0.288 0.127 RESID 193 (A): 9.931 ----- -0.007 -0.544 -0.300 1.612 RESID 194 (I): -2.078 ----- 2.894 -0.463 1.812 0.732 RESID 195 (V): -4.312 ----- 2.127 1.796 0.158 -0.142 RESID 196 (Y): 2.719 ----- 0.548 -0.416 1.016 1.005 RESID 197 (T): 1.479 ----- 0.930 0.110 -3.042 0.428 RESID 198 (A): -0.383 ----- 1.315 1.216 0.103 -0.309 RESID 199 (A): -4.677 ----- -1.042 -0.478 0.343 0.318 RESID 200 (A): -3.859 ----- -0.626 -0.828 1.339 -1.443 RESID 201 (H): 0.542 ----- -0.501 0.389 -0.420 -0.151 RESID 202 (S): -3.977 ----- 0.041 -1.066 -0.136 -0.693 RESID 203 (A): -2.962 ----- -0.386 -0.547 2.302 0.310 RESID 204 (N): 0.078 ----- -0.164 -0.561 -2.086 0.110 RESID 205 (L): 5.485 ----- 0.150 0.849 1.509 1.650 RESID 206 (W): 1.752 ----- 1.050 -0.835 -1.218 0.622 RESID 207 (T): 1.833 ----- 2.917 0.977 -1.968 -0.107 RESID 208 (P): ----- ----- -0.842 0.731 -0.213 ----- RESID 209 (E): -2.713 ----- 0.295 0.073 -0.391 -0.354 RESID 210 (S): 0.702 ----- -1.620 -1.092 2.838 0.221 RESID 211 (A): -2.201 ----- 0.750 0.090 -0.228 -0.158 RESID 212 (Q): 0.581 ----- -0.913 2.441 -0.328 0.014 RESID 213 (G): -0.143 ----- -0.921 0.692 ----- -0.242 RESID 214 (Q): -0.745 ----- 0.620 0.302 0.421 0.431 RESID 215 (M): -1.435 ----- -0.372 0.116 -0.787 -0.309 RESID 216 (L): -2.954 ----- 0.868 0.519 -1.441 -0.446 RESID 217 (E): 1.367 ----- 2.973 1.286 -0.267 0.244 RESID 218 (Q): 5.208 ----- -0.790 0.951 -0.269 0.554 RESID 219 (L): 0.514 ----- -2.234 -1.393 1.453 -0.313 RESID 220 (G): 1.933 ----- 1.778 0.062 ----- -0.378 RESID 221 (F): 0.080 ----- 0.843 1.930 -3.838 0.226 RESID 222 (T): 1.486 ----- 0.512 0.515 1.656 0.391 RESID 223 (L): 1.128 ----- 1.652 1.351 -1.138 1.078 RESID 224 (A): -1.206 ----- 1.547 1.483 -2.179 0.984 RESID 225 (K): 2.083 ----- 0.606 0.006 0.190 0.233 RESID 226 (L): -1.848 ----- -0.102 -0.501 0.460 0.116 RESID 227 (P): ----- ----- -0.254 -0.043 0.179 ----- RESID 228 (A): 0.083 ----- 1.056 0.749 0.008 -0.095 RESID 229 (G): 0.224 ----- -0.987 0.621 ----- 0.476 RESID 230 (L): -1.231 ----- -1.433 0.097 0.944 -0.429 RESID 231 (N): -0.436 ----- -0.605 -2.488 0.944 0.159 RESID 232 (A): 4.944 ----- 0.044 1.423 1.295 0.170 RESID 233 (S): -0.038 ----- -0.483 -1.725 0.944 -0.269 RESID 234 (Q): 1.440 ----- 0.710 0.160 -1.312 0.434 RESID 235 (S): -0.986 ----- 0.254 0.043 1.611 -0.217 RESID 236 (Q): -4.856 ----- 1.257 1.110 1.651 -0.496 RESID 237 (G): 1.377 ----- 1.144 0.242 ----- 0.797 RESID 238 (K): -0.987 ----- 1.107 0.494 0.539 -0.390 RESID 239 (R): -4.061 ----- ----- 0.179 0.657 -0.345 RESID 240 (H): ----- ----- -1.736 -2.890 -0.298 ----- RESID 241 (D): 0.572 ----- -1.573 -0.513 -0.678 0.656 RESID 242 (I): 0.272 ----- 1.213 -0.313 2.738 -0.325 RESID 243 (I): -0.911 ----- 1.037 -0.311 2.946 0.212 RESID 244 (Q): 0.893 ----- 1.049 1.542 -0.030 0.175 RESID 245 (L): 1.990 ----- -0.417 0.674 0.248 0.276 RESID 246 (G): 4.662 ----- -0.136 -0.434 ----- -0.021 RESID 247 (G): -0.146 ----- 1.814 3.150 ----- 0.927 RESID 248 (E): 2.603 ----- 0.761 1.074 0.022 0.460 RESID 249 (N): 0.425 ----- -0.486 -0.251 0.742 0.444 RESID 250 (L): 1.171 ----- -0.993 1.845 0.760 -0.679 RESID 251 (A): -5.102 ----- 1.334 0.687 -0.430 -0.171 RESID 252 (A): -1.226 ----- 0.786 1.614 -0.006 -1.036 RESID 253 (G): -7.300 ----- -2.096 0.366 ----- 0.011 RESID 254 (L): 1.953 ----- -2.273 -1.854 -3.014 -0.577 RESID 255 (N): -8.121 ----- 0.530 -0.381 -1.193 -1.203 RESID 256 (G): 2.460 ----- -2.390 0.453 ----- -0.698 RESID 257 (E): 1.556 ----- 1.279 1.284 -0.790 -0.219 RESID 258 (S): -5.948 ----- 0.005 -0.651 2.455 -0.795 RESID 259 (L): -2.763 ----- -2.565 -0.809 3.747 0.944 RESID 260 (F): 0.740 ----- -1.834 1.551 1.029 1.159 RESID 261 (L): 3.791 ----- 0.503 0.821 -4.051 0.852 RESID 262 (F): 1.565 ----- -0.321 1.871 1.433 0.232 RESID 263 (A): -2.219 ----- -1.730 0.967 2.895 0.610 RESID 264 (G): -7.053 ----- -1.636 0.485 ----- -1.120 RESID 265 (D): -0.380 ----- 0.028 -1.124 0.596 0.936 RESID 266 (Q): -1.211 ----- 0.143 -0.449 -0.156 -0.328 RESID 267 (K): -1.090 ----- 2.309 -0.165 -0.346 -0.042 RESID 268 (D): 1.947 ----- -0.940 1.001 1.300 -0.480 RESID 269 (A): 0.219 ----- 0.586 0.715 -0.705 -0.252 RESID 270 (D): 0.247 ----- 2.791 1.268 -0.386 0.777 RESID 271 (A): 3.015 ----- 1.473 1.479 -1.020 0.542 RESID 272 (I): -120.484 ----- 1.347 -0.776 -2.420 -1.057 RESID 273 (Y): -0.677 ----- 0.214 2.795 1.936 0.211 RESID 274 (A): -3.250 ----- 0.003 -0.977 0.165 -0.322 RESID 275 (N): 1.655 ----- 1.689 -0.330 1.554 -0.762 RESID 276 (P): ----- ----- 0.402 -0.265 0.397 ----- RESID 277 (L): -0.730 ----- -0.895 -0.921 0.219 -0.152 RESID 278 (L): -1.495 ----- -1.283 -1.751 -0.357 -0.195 RESID 279 (A): -4.480 ----- -0.101 0.722 1.114 -1.242 RESID 280 (H): -3.684 ----- 0.288 -0.888 0.887 0.149 RESID 281 (L): 1.538 ----- 0.417 0.353 -1.429 -0.162 RESID 282 (P): ----- ----- -0.190 0.331 0.437 ----- RESID 283 (A): -3.137 ----- -0.830 0.428 1.305 -0.460 RESID 284 (V): -3.284 ----- 1.070 -0.248 1.746 -1.123 RESID 285 (Q): 0.736 ----- 0.341 0.696 0.475 0.745 RESID 286 (N): -1.403 ----- 0.637 0.441 -0.334 0.074 RESID 287 (K): 2.641 ----- -0.153 0.224 -0.981 0.011 RESID 288 (Q): 2.546 ----- -0.386 -1.879 -0.277 0.462 RESID 289 (V): 0.610 ----- 0.032 0.527 -1.210 -0.663 RESID 290 (Y): 1.659 ----- -0.340 0.414 -1.867 -0.280 RESID 291 (A): 4.863 ----- 1.581 1.186 -1.617 0.400 RESID 292 (L): 0.985 ----- -0.750 0.602 0.226 -0.577 RESID 293 (G): 3.680 ----- 3.498 0.674 ----- 0.584 RESID 294 (T): 1.074 ----- 0.393 0.086 -0.851 0.233 RESID 295 (E): 2.169 ----- 1.130 0.241 0.233 1.539 RESID 296 (T): -5.644 ----- -0.712 1.113 1.413 -0.844 RESID 297 (F): -1.567 ----- -1.362 0.652 -0.137 0.300 RESID 298 (R): -2.957 ----- 0.903 -1.593 1.359 -0.705 RESID 299 (L): -0.700 ----- 0.135 0.360 -2.316 0.499 RESID 300 (D): 0.956 ----- -2.098 -1.234 0.820 -1.040 RESID 301 (Y): -3.165 ----- -0.901 -1.657 0.062 -1.015 RESID 302 (Y): -3.251 ----- 3.082 1.033 -0.116 -0.810 RESID 303 (S): 3.366 ----- -0.293 -0.555 1.029 -0.019 RESID 304 (A): 1.192 ----- 1.009 1.041 0.191 1.008 RESID 305 (M): -1.358 ----- 0.413 -1.872 -1.020 -0.152 RESID 306 (Q): 0.522 ----- 0.165 0.536 -0.367 -0.132 RESID 308 (L): ----- ----- 0.222 0.260 0.407 ----- RESID 309 (D): -0.002 ----- 0.708 0.262 0.495 -0.064 RESID 310 (R): 1.077 ----- 0.182 -0.613 -0.332 0.854 RESID 311 (L): -0.798 ----- 0.085 0.248 0.489 0.156 RESID 312 (K): -2.294 ----- -0.437 0.048 -0.046 -0.307 RESID 313 (A): -1.426 ----- 1.267 0.392 -0.409 -0.334 RESID 314 (L): 0.519 ----- 0.837 -0.351 1.408 -0.676 DATA CS_STAT_INFO N RMS: 8.234 ppm Count: 256 Average Difference: 0.466 +/- 8.237 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.220 ppm Count: 281 Average Difference: -0.162 +/- 1.211 ppm DATA CS_STAT_INFO CA RMS: 1.337 ppm Count: 283 Average Difference: -0.106 +/- 1.335 ppm DATA CS_STAT_INFO CB RMS: 1.423 ppm Count: 260 Average Difference: -0.165 +/- 1.416 ppm DATA CS_STAT_INFO HN RMS: 0.717 ppm Count: 256 Average Difference: -0.023 +/- 0.718 ppm ############################################################################ For conformer 9: Atom Original Corrected SPARTA Difference RESID 25 (D): N 120.600 120.600 120.648 -0.048 RESID 25 (D): C 174.400 174.400 175.904 -1.504 RESID 25 (D): CA 55.230 55.230 53.080 2.151 RESID 25 (D): CB 41.340 41.340 41.892 -0.552 RESID 25 (D): H 8.275 8.275 8.216 0.059 RESID 26 (W): N 120.100 120.100 123.552 -3.452 RESID 26 (W): C 174.200 174.200 175.067 -0.867 RESID 26 (W): CA 55.330 55.330 54.960 0.370 RESID 26 (W): CB 31.090 31.090 27.831 3.259 RESID 26 (W): H 7.788 7.788 7.610 0.178 RESID 27 (P): C 175.900 175.900 175.904 -0.004 RESID 27 (P): CA 62.800 62.800 63.097 -0.297 RESID 27 (P): CB 37.260 37.260 32.319 4.941 RESID 28 (R): N 118.000 118.000 121.827 -3.827 RESID 28 (R): C 173.700 173.700 175.094 -1.394 RESID 28 (R): CA 55.160 55.160 54.427 0.733 RESID 28 (R): CB 33.430 33.430 32.676 0.754 RESID 28 (R): H 8.686 8.686 8.620 0.066 RESID 29 (Q): N 120.800 120.800 121.636 -0.836 RESID 29 (Q): C 175.500 175.500 174.910 0.590 RESID 29 (Q): CA 54.780 54.780 56.030 -1.250 RESID 29 (Q): CB 30.700 30.700 29.254 1.446 RESID 29 (Q): H 8.506 8.506 8.586 -0.080 RESID 30 (I): N 124.300 124.300 126.122 -1.822 RESID 30 (I): C 175.700 175.700 175.119 0.581 RESID 30 (I): CA 58.520 58.520 59.456 -0.936 RESID 30 (I): CB 40.680 40.680 41.147 -0.467 RESID 30 (I): H 9.002 9.002 7.919 1.083 RESID 31 (T): N 125.200 125.200 122.019 3.181 RESID 31 (T): C 174.400 174.400 173.664 0.736 RESID 31 (T): CA 62.150 62.150 63.493 -1.343 RESID 31 (T): CB 70.640 70.640 69.584 1.056 RESID 31 (T): H 8.989 8.989 8.403 0.586 RESID 32 (D): N 129.500 129.500 123.863 5.637 RESID 32 (D): C 177.400 177.400 175.985 1.415 RESID 32 (D): CA 52.630 52.630 51.813 0.817 RESID 32 (D): CB 42.950 42.950 43.438 -0.488 RESID 32 (D): H 9.389 9.389 7.985 1.404 RESID 33 (S): N 111.900 111.900 116.328 -4.428 RESID 33 (S): C 175.600 175.600 176.166 -0.566 RESID 33 (S): CA 60.920 60.920 60.518 0.402 RESID 33 (S): CB 63.430 63.430 63.813 -0.383 RESID 33 (S): H 8.075 8.075 8.292 -0.217 RESID 34 (R): N 120.600 120.600 122.990 -2.390 RESID 34 (R): C 176.100 176.100 176.733 -0.633 RESID 34 (R): CA 55.020 55.020 58.682 -3.662 RESID 34 (R): CB 30.850 30.850 30.670 0.180 RESID 34 (R): H 8.433 8.433 7.960 0.473 RESID 35 (G): N 108.900 108.900 103.743 5.157 RESID 35 (G): C 171.200 171.200 173.450 -2.250 RESID 35 (G): CA 45.060 45.060 45.565 -0.505 RESID 35 (G): H 7.837 7.837 8.596 -0.759 RESID 36 (T): N 116.300 116.300 116.157 0.143 RESID 36 (T): C 173.800 173.800 173.017 0.783 RESID 36 (T): CA 62.670 62.670 62.642 0.028 RESID 36 (T): CB 70.000 70.000 70.070 -0.070 RESID 36 (T): H 8.192 8.192 7.609 0.583 RESID 37 (H): N 125.800 125.800 125.315 0.485 RESID 37 (H): C 174.000 174.000 173.277 0.723 RESID 37 (H): CA 54.060 54.060 55.338 -1.278 RESID 37 (H): CB 31.020 31.020 33.022 -2.002 RESID 37 (H): H 8.986 8.986 8.628 0.358 RESID 38 (T): N 121.500 121.500 117.126 4.374 RESID 38 (T): C 174.200 174.200 172.814 1.386 RESID 38 (T): CA 63.190 63.190 61.068 2.122 RESID 38 (T): CB 70.080 70.080 71.323 -1.243 RESID 38 (T): H 9.101 9.101 7.505 1.596 RESID 39 (L): N 129.600 129.600 122.360 7.240 RESID 39 (L): C 176.900 176.900 176.809 0.091 RESID 39 (L): CA 53.990 53.990 53.469 0.521 RESID 39 (L): CB 43.160 43.160 44.096 -0.936 RESID 39 (L): H 9.145 9.145 8.689 0.456 RESID 40 (E): N 124.300 124.300 125.861 -1.561 RESID 40 (E): C 175.600 175.600 175.920 -0.320 RESID 40 (E): CA 59.420 59.420 59.133 0.287 RESID 40 (E): CB 30.710 30.710 30.224 0.486 RESID 40 (E): H 9.164 9.164 9.029 0.135 RESID 41 (S): N 108.300 108.300 110.142 -1.842 RESID 41 (S): C 171.700 171.700 173.188 -1.488 RESID 41 (S): CA 56.270 56.270 57.161 -0.891 RESID 41 (S): CB 65.420 65.420 64.824 0.596 RESID 41 (S): H 7.326 7.326 7.483 -0.157 RESID 42 (Q): N 123.900 123.900 120.596 3.304 RESID 42 (Q): C 174.600 174.600 174.750 -0.150 RESID 42 (Q): CA 53.730 53.730 55.760 -2.030 RESID 42 (Q): CB 28.470 28.470 27.911 0.559 RESID 42 (Q): H 7.339 7.339 8.607 -1.268 RESID 43 (P): C 176.300 176.300 176.551 -0.251 RESID 43 (P): CA 64.080 64.080 63.339 0.741 RESID 43 (P): CB 32.510 32.510 32.407 0.103 RESID 44 (Q): N 125.100 125.100 122.527 2.573 RESID 44 (Q): C 175.400 175.400 176.004 -0.604 RESID 44 (Q): CA 55.780 55.780 57.315 -1.535 RESID 44 (Q): CB 32.660 32.660 29.836 2.824 RESID 44 (Q): H 11.160 11.160 8.563 2.597 RESID 45 (R): N 125.700 125.700 117.369 8.331 RESID 45 (R): C 174.600 174.600 174.097 0.503 RESID 45 (R): CA 55.310 55.310 55.205 0.105 RESID 45 (R): CB 33.070 33.070 33.175 -0.105 RESID 45 (R): H 10.010 10.010 7.542 2.468 RESID 47 (V): C 174.700 174.700 174.359 0.341 RESID 47 (V): CA 60.970 60.970 61.238 -0.268 RESID 47 (V): CB 34.140 34.140 34.285 -0.145 RESID 48 (S): N 118.300 118.300 120.168 -1.868 RESID 48 (S): C 175.500 175.500 173.615 1.885 RESID 48 (S): CA 55.700 55.700 57.576 -1.876 RESID 48 (S): CB 64.750 64.750 65.862 -1.113 RESID 48 (S): H 7.852 7.852 8.478 -0.626 RESID 49 (T): N 116.800 116.800 112.571 4.229 RESID 49 (T): C 171.500 171.500 174.412 -2.912 RESID 49 (T): CA 62.400 62.400 61.425 0.975 RESID 49 (T): CB 69.320 69.320 69.684 -0.364 RESID 49 (T): H 8.283 8.283 8.640 -0.357 RESID 50 (S): N 116.200 116.200 116.674 -0.474 RESID 50 (S): C 174.600 174.600 175.181 -0.581 RESID 50 (S): CA 54.640 54.640 56.720 -2.080 RESID 50 (S): CB 64.000 64.000 64.044 -0.044 RESID 50 (S): H 7.627 7.627 7.740 -0.113 RESID 51 (V): N 134.300 134.300 129.391 4.909 RESID 51 (V): C 175.100 175.100 177.927 -2.827 RESID 51 (V): CA 65.620 65.620 65.959 -0.339 RESID 51 (V): CB 31.790 31.790 31.911 -0.121 RESID 51 (V): H 9.218 9.218 9.055 0.163 RESID 52 (T): N 117.000 117.000 116.473 0.527 RESID 52 (T): C 179.700 179.700 176.512 3.188 RESID 52 (T): CA 67.390 67.390 66.480 0.910 RESID 52 (T): CB 69.130 69.130 68.880 0.250 RESID 52 (T): H 7.841 7.841 7.990 -0.149 RESID 53 (L): N 123.400 123.400 122.264 1.136 RESID 53 (L): C 178.700 178.700 178.264 0.436 RESID 53 (L): CA 57.460 57.460 58.157 -0.697 RESID 53 (L): CB 42.610 42.610 41.791 0.819 RESID 53 (L): H 8.092 8.092 8.593 -0.501 RESID 54 (T): N 117.500 117.500 115.728 1.772 RESID 54 (T): C 174.900 174.900 176.637 -1.737 RESID 54 (T): CA 67.070 67.070 67.740 -0.670 RESID 54 (T): H 8.039 8.039 8.132 -0.093 RESID 55 (G): N 105.500 105.500 109.318 -3.818 RESID 55 (G): C 175.600 175.600 175.898 -0.298 RESID 55 (G): CA 47.260 47.260 47.008 0.252 RESID 55 (G): H 6.591 6.591 7.876 -1.285 RESID 56 (S): N 117.000 117.000 117.727 -0.727 RESID 56 (S): C 175.600 175.600 176.726 -1.126 RESID 56 (S): CA 63.400 63.400 61.745 1.655 RESID 56 (S): CB 65.060 65.060 63.110 1.950 RESID 56 (S): H 6.709 6.709 7.963 -1.254 RESID 58 (L): C 181.200 181.200 179.424 1.776 RESID 58 (L): CA 57.480 57.480 57.754 -0.274 RESID 58 (L): CB 40.810 40.810 40.925 -0.115 RESID 59 (A): N 122.100 122.100 122.897 -0.797 RESID 59 (A): C 178.500 178.500 178.793 -0.293 RESID 59 (A): CA 55.540 55.540 54.805 0.735 RESID 59 (A): CB 18.440 18.440 18.745 -0.305 RESID 59 (A): H 7.797 7.797 8.128 -0.331 RESID 60 (I): C 172.700 172.700 174.247 -1.547 RESID 60 (I): CA 60.390 60.390 60.232 0.158 RESID 60 (I): CB 37.930 37.930 37.494 0.436 RESID 61 (D): N 116.200 116.200 118.663 -2.463 RESID 61 (D): C 174.800 174.800 174.560 0.240 RESID 61 (D): CA 55.850 55.850 55.805 0.045 RESID 61 (D): CB 38.930 38.930 38.979 -0.049 RESID 61 (D): H 7.736 7.736 7.745 -0.009 RESID 62 (A): N 118.900 118.900 122.097 -3.197 RESID 62 (A): C 176.800 176.800 174.108 2.692 RESID 62 (A): CA 50.040 50.040 50.874 -0.834 RESID 62 (A): CB 17.940 17.940 19.577 -1.637 RESID 62 (A): H 7.820 7.820 7.712 0.108 RESID 63 (P): C 173.600 173.600 175.710 -2.110 RESID 63 (P): CA 63.250 63.250 62.638 0.612 RESID 63 (P): CB 27.640 27.640 32.338 -4.698 RESID 64 (V): N 123.100 123.100 119.354 3.746 RESID 64 (V): C 174.800 174.800 175.709 -0.909 RESID 64 (V): CA 58.420 58.420 59.870 -1.450 RESID 64 (V): CB 33.300 33.300 34.082 -0.782 RESID 64 (V): H 8.299 8.299 7.863 0.436 RESID 65 (I): N 122.000 122.000 126.365 -4.365 RESID 65 (I): C 177.100 177.100 175.561 1.539 RESID 65 (I): CA 61.010 61.010 64.022 -3.012 RESID 65 (I): CB 39.480 39.480 38.211 1.269 RESID 65 (I): H 8.589 8.589 8.317 0.272 RESID 66 (A): N 120.700 120.700 116.436 4.264 RESID 66 (A): C 175.100 175.100 175.199 -0.099 RESID 66 (A): CA 51.300 51.300 50.646 0.654 RESID 66 (A): CB 22.980 22.980 21.497 1.483 RESID 66 (A): H 7.246 7.246 7.686 -0.440 RESID 67 (S): N 111.700 111.700 116.774 -5.074 RESID 67 (S): C 176.500 176.500 174.202 2.298 RESID 67 (S): CA 55.230 55.230 57.291 -2.061 RESID 67 (S): CB 65.300 65.300 67.720 -2.420 RESID 67 (S): H 8.561 8.561 8.326 0.235 RESID 68 (G): N 112.900 112.900 107.301 5.599 RESID 68 (G): C 171.000 171.000 172.618 -1.618 RESID 68 (G): CA 46.580 46.580 44.540 2.040 RESID 68 (G): H 7.604 7.604 8.646 -1.042 RESID 69 (A): N 122.300 122.300 126.097 -3.797 RESID 69 (A): C 177.900 177.900 175.107 2.793 RESID 69 (A): CA 51.280 51.280 52.493 -1.213 RESID 69 (A): CB 23.440 23.440 21.382 2.058 RESID 69 (A): H 7.402 7.402 8.163 -0.761 RESID 70 (T): N 119.600 119.600 113.354 6.246 RESID 70 (T): C 171.400 171.400 173.722 -2.322 RESID 70 (T): CA 58.150 58.150 60.844 -2.694 RESID 70 (T): CB 70.880 70.880 69.897 0.982 RESID 70 (T): H 9.171 9.171 8.105 1.066 RESID 71 (T): N 116.500 116.500 121.456 -4.956 RESID 71 (T): C 172.500 172.500 172.939 -0.439 RESID 71 (T): CA 61.680 61.680 61.545 0.135 RESID 71 (T): CB 70.490 70.490 68.960 1.530 RESID 71 (T): H 7.663 7.663 8.442 -0.779 RESID 72 (P): C 177.100 177.100 176.127 0.973 RESID 72 (P): CA 63.390 63.390 63.595 -0.205 RESID 72 (P): CB 32.940 32.940 32.211 0.729 RESID 73 (N): N 115.200 115.200 119.601 -4.401 RESID 73 (N): C 174.600 174.600 176.230 -1.630 RESID 73 (N): CA 54.570 54.570 53.852 0.718 RESID 73 (N): CB 37.020 37.020 38.461 -1.441 RESID 73 (N): H 7.990 7.990 8.686 -0.696 RESID 74 (N): C 175.800 175.800 177.007 -1.207 RESID 74 (N): CA 60.660 60.660 55.671 4.989 RESID 74 (N): CB 38.070 38.070 37.722 0.348 RESID 75 (R): N 114.600 114.600 120.944 -6.344 RESID 75 (R): C 177.400 177.400 177.556 -0.156 RESID 75 (R): CA 59.940 59.940 58.869 1.071 RESID 75 (R): CB 31.110 31.110 30.039 1.071 RESID 75 (R): H 8.049 8.049 8.335 -0.286 RESID 76 (V): N 107.100 107.100 117.316 -10.216 RESID 76 (V): C 176.000 176.000 175.961 0.039 RESID 76 (V): CA 61.110 61.110 64.056 -2.946 RESID 76 (V): CB 33.590 33.590 31.563 2.027 RESID 76 (V): H 7.356 7.356 8.186 -0.830 RESID 77 (A): N 126.900 126.900 121.089 5.811 RESID 77 (A): C 176.500 176.500 177.567 -1.067 RESID 77 (A): CA 51.390 51.390 52.426 -1.036 RESID 77 (A): CB 24.260 24.260 19.134 5.126 RESID 77 (A): H 7.873 7.873 7.165 0.708 RESID 78 (D): N 118.700 118.700 116.919 1.781 RESID 78 (D): C 178.100 178.100 175.893 2.207 RESID 78 (D): CA 51.970 51.970 52.900 -0.930 RESID 78 (D): CB 41.360 41.360 40.991 0.369 RESID 78 (D): H 8.607 8.607 8.177 0.430 RESID 79 (D): N 116.600 116.600 115.753 0.847 RESID 79 (D): C 176.400 176.400 176.111 0.289 RESID 79 (D): CA 56.030 56.030 54.940 1.090 RESID 79 (D): CB 40.100 40.100 39.208 0.892 RESID 79 (D): H 8.258 8.258 8.406 -0.148 RESID 80 (Q): N 117.200 117.200 121.531 -4.331 RESID 80 (Q): C 175.700 175.700 176.873 -1.173 RESID 80 (Q): CA 54.970 54.970 56.474 -1.504 RESID 80 (Q): CB 30.840 30.840 28.428 2.412 RESID 80 (Q): H 8.160 8.160 8.342 -0.182 RESID 81 (G): N 105.300 105.300 105.282 0.018 RESID 81 (G): C 174.200 174.200 173.345 0.855 RESID 81 (G): CA 45.740 45.740 44.780 0.960 RESID 81 (G): H 7.419 7.419 8.058 -0.639 RESID 82 (F): N 121.700 121.700 121.085 0.615 RESID 82 (F): C 175.300 175.300 175.741 -0.441 RESID 82 (F): CA 52.530 52.530 56.769 -4.239 RESID 82 (F): CB 37.430 37.430 40.049 -2.619 RESID 82 (F): H 8.154 8.154 7.847 0.307 RESID 83 (L): C 178.400 178.400 177.450 0.950 RESID 83 (L): CA 55.550 55.550 55.219 0.331 RESID 83 (L): CB 38.480 38.480 41.963 -3.483 RESID 84 (R): N 119.000 119.000 118.676 0.324 RESID 84 (R): C 178.300 178.300 177.525 0.775 RESID 84 (R): CA 60.690 60.690 57.203 3.487 RESID 84 (R): CB 31.530 31.530 29.883 1.647 RESID 84 (R): H 7.746 7.746 8.435 -0.689 RESID 85 (Q): N 116.400 116.400 119.012 -2.612 RESID 85 (Q): C 174.700 174.700 177.392 -2.692 RESID 85 (Q): CA 58.200 58.200 57.984 0.216 RESID 85 (Q): CB 26.140 26.140 29.308 -3.168 RESID 85 (Q): H 9.838 9.838 7.965 1.873 RESID 86 (W): N 115.600 115.600 121.967 -6.367 RESID 86 (W): C 175.900 175.900 177.743 -1.843 RESID 86 (W): CA 55.320 55.320 60.444 -5.124 RESID 86 (W): CB 27.470 27.470 29.627 -2.157 RESID 86 (W): H 6.600 6.600 8.559 -1.959 RESID 87 (S): N 118.500 118.500 114.608 3.892 RESID 87 (S): C 177.300 177.300 175.835 1.465 RESID 87 (S): CA 62.340 62.340 61.851 0.489 RESID 87 (S): H 7.067 7.067 8.339 -1.272 RESID 88 (K): N 118.300 118.300 122.205 -3.905 RESID 88 (K): C 179.000 179.000 178.833 0.167 RESID 88 (K): CA 59.970 59.970 59.504 0.466 RESID 88 (K): CB 32.380 32.380 32.468 -0.088 RESID 88 (K): H 8.615 8.615 7.664 0.951 RESID 89 (V): N 120.600 120.600 114.212 6.388 RESID 89 (V): C 178.100 178.100 177.292 0.808 RESID 89 (V): CA 65.530 65.530 65.423 0.107 RESID 89 (V): CB 32.180 32.180 31.673 0.507 RESID 89 (V): H 7.089 7.089 7.698 -0.609 RESID 90 (A): N 120.700 120.700 121.165 -0.465 RESID 90 (A): C 180.000 180.000 178.943 1.057 RESID 90 (A): CA 55.490 55.490 54.160 1.331 RESID 90 (A): CB 19.130 19.130 17.826 1.304 RESID 90 (A): H 7.979 7.979 7.323 0.656 RESID 91 (K): N 117.600 117.600 118.027 -0.427 RESID 91 (K): C 180.900 180.900 177.880 3.020 RESID 91 (K): CA 59.830 59.830 58.838 0.992 RESID 91 (K): CB 32.700 32.700 32.719 -0.020 RESID 91 (K): H 7.844 7.844 8.134 -0.290 RESID 92 (E): N 122.300 122.300 117.240 5.060 RESID 92 (E): C 178.600 178.600 177.096 1.504 RESID 92 (E): CA 59.590 59.590 57.313 2.277 RESID 92 (E): CB 29.740 29.740 30.404 -0.664 RESID 92 (E): H 8.178 8.178 7.700 0.478 RESID 93 (R): N 115.300 115.300 118.429 -3.129 RESID 93 (R): C 175.000 175.000 174.677 0.323 RESID 93 (R): CA 56.320 56.320 55.529 0.791 RESID 93 (R): CB 29.390 29.390 30.925 -1.535 RESID 93 (R): H 7.776 7.776 8.045 -0.269 RESID 94 (K): N 116.800 116.800 114.994 1.806 RESID 94 (K): C 176.400 176.400 175.717 0.683 RESID 94 (K): CA 56.950 56.950 57.610 -0.660 RESID 94 (K): CB 28.870 28.870 30.289 -1.419 RESID 94 (K): H 7.697 7.697 8.425 -0.728 RESID 95 (L): N 120.600 120.600 121.651 -1.051 RESID 95 (L): C 177.200 177.200 176.893 0.307 RESID 95 (L): CA 56.710 56.710 55.977 0.733 RESID 95 (L): CB 43.480 43.480 42.459 1.021 RESID 95 (L): H 7.708 7.708 7.644 0.064 RESID 96 (Q): N 124.900 124.900 124.444 0.456 RESID 96 (Q): C 175.000 175.000 175.953 -0.953 RESID 96 (Q): CA 55.570 55.570 54.941 0.629 RESID 96 (Q): CB 30.080 30.080 29.752 0.329 RESID 96 (Q): H 7.526 7.526 8.398 -0.872 RESID 97 (R): N 126.000 126.000 119.547 6.453 RESID 97 (R): C 176.800 176.800 176.213 0.587 RESID 97 (R): CA 55.610 55.610 56.631 -1.021 RESID 97 (R): CB 31.840 31.840 30.218 1.622 RESID 97 (R): H 9.039 9.039 8.535 0.504 RESID 98 (L): N 126.500 126.500 122.999 3.501 RESID 98 (L): C 175.400 175.400 175.804 -0.404 RESID 98 (L): CA 56.610 56.610 54.178 2.432 RESID 98 (L): CB 47.140 47.140 43.802 3.338 RESID 98 (L): H 8.247 8.247 8.665 -0.418 RESID 99 (Y): N 110.000 110.000 111.955 -1.955 RESID 99 (Y): C 173.200 173.200 174.593 -1.393 RESID 99 (Y): CA 55.320 55.320 56.154 -0.834 RESID 99 (Y): CB 38.350 38.350 39.333 -0.983 RESID 99 (Y): H 6.465 6.465 7.815 -1.350 RESID 100 (I): N 120.000 120.000 126.191 -6.191 RESID 100 (I): C 176.800 176.800 177.147 -0.347 RESID 100 (I): CA 61.290 61.290 63.121 -1.831 RESID 100 (I): CB 39.980 39.980 36.420 3.560 RESID 100 (I): H 8.725 8.725 8.633 0.092 RESID 101 (G): N 114.800 114.800 113.913 0.887 RESID 101 (G): C 173.400 173.400 174.105 -0.705 RESID 101 (G): CA 47.030 47.030 44.827 2.204 RESID 101 (G): H 8.224 8.224 8.472 -0.248 RESID 102 (E): N 129.600 129.600 118.685 10.915 RESID 102 (E): C 173.700 173.700 174.470 -0.770 RESID 102 (E): CA 54.480 54.480 53.989 0.491 RESID 102 (E): CB 29.790 29.790 27.750 2.040 RESID 102 (E): H 8.294 8.294 8.003 0.291 RESID 103 (P): C 175.400 175.400 176.229 -0.829 RESID 103 (P): CA 62.040 62.040 63.414 -1.375 RESID 103 (P): CB 32.570 32.570 32.660 -0.090 RESID 104 (S): N 111.900 111.900 117.131 -5.231 RESID 104 (S): C 174.800 174.800 174.648 0.152 RESID 104 (S): CA 55.340 55.340 58.494 -3.154 RESID 104 (S): CB 64.330 64.330 64.383 -0.053 RESID 104 (S): H 5.412 5.412 7.973 -2.561 RESID 105 (A): N 130.200 130.200 129.973 0.227 RESID 105 (A): C 179.400 179.400 179.051 0.349 RESID 105 (A): CA 55.070 55.070 54.324 0.746 RESID 105 (A): CB 18.210 18.210 19.114 -0.904 RESID 105 (A): H 9.211 9.211 8.878 0.333 RESID 106 (E): N 119.800 119.800 119.419 0.381 RESID 106 (E): C 179.300 179.300 178.857 0.443 RESID 106 (E): CA 60.270 60.270 59.027 1.243 RESID 106 (E): CB 28.990 28.990 29.464 -0.474 RESID 106 (E): H 8.731 8.731 8.590 0.141 RESID 107 (A): N 121.600 121.600 122.087 -0.487 RESID 107 (A): C 180.100 180.100 179.830 0.270 RESID 107 (A): CA 54.650 54.650 54.987 -0.337 RESID 107 (A): CB 19.220 19.220 18.452 0.768 RESID 107 (A): H 7.682 7.682 7.809 -0.127 RESID 108 (V): N 116.600 116.600 118.868 -2.268 RESID 108 (V): C 177.700 177.700 178.509 -0.809 RESID 108 (V): CA 66.920 66.920 65.753 1.167 RESID 108 (V): CB 31.430 31.430 31.324 0.106 RESID 108 (V): H 7.015 7.015 7.489 -0.474 RESID 109 (A): N 121.400 121.400 123.044 -1.644 RESID 109 (A): C 181.100 181.100 179.232 1.868 RESID 109 (A): CA 55.540 55.540 55.003 0.537 RESID 109 (A): CB 17.900 17.900 18.000 -0.100 RESID 109 (A): H 8.262 8.262 8.142 0.120 RESID 110 (A): N 118.800 118.800 119.546 -0.746 RESID 110 (A): C 178.900 178.900 178.642 0.258 RESID 110 (A): CA 54.300 54.300 54.548 -0.248 RESID 110 (A): CB 18.460 18.460 18.487 -0.027 RESID 110 (A): H 7.607 7.607 7.931 -0.324 RESID 111 (Q): N 113.500 113.500 114.582 -1.082 RESID 111 (Q): C 174.900 174.900 175.964 -1.064 RESID 111 (Q): CA 55.160 55.160 54.255 0.904 RESID 111 (Q): CB 28.450 28.450 28.584 -0.134 RESID 111 (Q): H 7.148 7.148 7.437 -0.289 RESID 112 (M): N 114.700 114.700 120.825 -6.125 RESID 112 (M): C 173.300 173.300 173.235 0.065 RESID 112 (M): CA 55.900 55.900 55.560 0.340 RESID 112 (M): CB 30.300 30.300 31.749 -1.449 RESID 112 (M): H 7.882 7.882 7.946 -0.064 RESID 113 (P): C 176.700 176.700 176.245 0.455 RESID 113 (P): CA 62.820 62.820 62.592 0.228 RESID 113 (P): CB 33.340 33.340 32.925 0.415 RESID 114 (D): N 115.800 115.800 118.005 -2.205 RESID 114 (D): C 175.900 175.900 175.988 -0.088 RESID 114 (D): CA 53.150 53.150 55.278 -2.128 RESID 114 (D): CB 40.990 40.990 42.784 -1.794 RESID 114 (D): H 8.850 8.850 8.236 0.614 RESID 115 (L): C 174.900 174.900 174.285 0.615 RESID 115 (L): CA 52.800 52.800 54.200 -1.399 RESID 116 (I): N 123.500 123.500 126.318 -2.818 RESID 116 (I): CA 60.270 60.270 60.379 -0.109 RESID 116 (I): H 9.340 9.340 8.015 1.325 RESID 118 (I): C 174.400 174.400 175.374 -0.974 RESID 118 (I): CA 60.250 60.250 59.814 0.436 RESID 118 (I): CB 42.610 42.610 41.620 0.990 RESID 119 (S): N 121.600 121.600 121.143 0.457 RESID 119 (S): C 175.700 175.700 175.099 0.601 RESID 119 (S): CA 57.150 57.150 57.764 -0.614 RESID 119 (S): CB 65.280 65.280 64.607 0.673 RESID 119 (S): H 9.575 9.575 8.536 1.039 RESID 120 (A): N 126.000 126.000 124.595 1.405 RESID 120 (A): C 176.900 176.900 177.279 -0.379 RESID 120 (A): CA 54.300 54.300 54.246 0.054 RESID 120 (A): CB 20.530 20.530 19.159 1.371 RESID 120 (A): H 8.143 8.143 8.675 -0.532 RESID 121 (T): N 106.400 106.400 110.111 -3.711 RESID 121 (T): C 173.000 173.000 173.070 -0.070 RESID 121 (T): CA 59.450 59.450 61.171 -1.721 RESID 121 (T): CB 72.310 72.310 70.349 1.961 RESID 121 (T): H 7.617 7.617 7.852 -0.235 RESID 122 (G): N 104.200 104.200 110.206 -6.006 RESID 122 (G): C 177.200 177.200 174.138 3.062 RESID 122 (G): CA 44.430 44.430 45.028 -0.598 RESID 122 (G): H 7.998 7.998 7.895 0.103 RESID 123 (G): C 174.100 174.100 174.313 -0.213 RESID 123 (G): CA 46.710 46.710 45.662 1.048 RESID 124 (D): N 116.900 116.900 119.320 -2.420 RESID 124 (D): C 176.900 176.900 175.931 0.969 RESID 124 (D): CA 52.320 52.320 52.914 -0.594 RESID 124 (D): CB 40.690 40.690 40.627 0.063 RESID 124 (D): H 8.617 8.617 7.792 0.825 RESID 125 (S): N 115.100 115.100 119.229 -4.129 RESID 125 (S): C 176.900 176.900 175.246 1.654 RESID 125 (S): CA 58.750 58.750 58.705 0.045 RESID 125 (S): CB 64.190 64.190 64.048 0.142 RESID 125 (S): H 7.322 7.322 8.427 -1.105 RESID 126 (A): N 134.900 134.900 130.158 4.742 RESID 126 (A): C 176.700 176.700 178.653 -1.953 RESID 126 (A): CA 51.150 51.150 53.498 -2.348 RESID 126 (A): CB 16.850 16.850 19.088 -2.238 RESID 126 (A): H 8.837 8.837 8.582 0.255 RESID 127 (L): N 121.000 121.000 121.018 -0.018 RESID 127 (L): C 178.900 178.900 178.357 0.543 RESID 127 (L): CA 58.730 58.730 57.257 1.474 RESID 127 (L): CB 42.840 42.840 41.605 1.235 RESID 127 (L): H 7.353 7.353 8.150 -0.797 RESID 128 (A): N 121.600 121.600 118.198 3.402 RESID 128 (A): C 178.900 178.900 178.162 0.738 RESID 128 (A): CA 55.010 55.010 54.200 0.810 RESID 128 (A): CB 18.200 18.200 18.694 -0.493 RESID 128 (A): H 8.918 8.918 7.628 1.290 RESID 129 (L): N 116.800 116.800 116.221 0.579 RESID 129 (L): C 177.000 177.000 177.889 -0.889 RESID 129 (L): CA 53.930 53.930 55.192 -1.262 RESID 129 (L): CB 42.710 42.710 43.087 -0.376 RESID 129 (L): H 7.776 7.776 7.411 0.365 RESID 130 (Y): N 122.000 122.000 122.914 -0.914 RESID 130 (Y): C 177.100 177.100 176.795 0.305 RESID 130 (Y): CA 64.420 64.420 62.898 1.522 RESID 130 (Y): CB 39.470 39.470 38.419 1.051 RESID 130 (Y): H 7.891 7.891 8.985 -1.094 RESID 131 (D): N 119.000 119.000 117.825 1.175 RESID 131 (D): C 178.300 178.300 178.401 -0.101 RESID 131 (D): CA 58.040 58.040 57.437 0.603 RESID 131 (D): CB 39.660 39.660 39.358 0.301 RESID 131 (D): H 9.014 9.014 8.102 0.912 RESID 132 (Q): N 118.900 118.900 119.898 -0.998 RESID 132 (Q): C 179.100 179.100 178.823 0.277 RESID 132 (Q): CA 58.930 58.930 58.743 0.187 RESID 132 (Q): CB 29.320 29.320 28.745 0.575 RESID 132 (Q): H 7.814 7.814 7.957 -0.142 RESID 133 (L): N 119.700 119.700 120.075 -0.375 RESID 133 (L): C 177.900 177.900 178.616 -0.716 RESID 133 (L): CA 57.910 57.910 57.609 0.301 RESID 133 (L): CB 40.980 40.980 41.790 -0.810 RESID 133 (L): H 8.450 8.450 8.921 -0.471 RESID 134 (S): N 111.800 111.800 114.993 -3.193 RESID 134 (S): C 175.500 175.500 175.997 -0.497 RESID 134 (S): CA 61.160 61.160 60.836 0.324 RESID 134 (S): CB 63.450 63.450 62.651 0.799 RESID 134 (S): H 8.128 8.128 8.465 -0.337 RESID 135 (T): N 111.100 111.100 116.341 -5.241 RESID 135 (T): C 175.300 175.300 176.471 -1.171 RESID 135 (T): CA 63.230 63.230 65.270 -2.040 RESID 135 (T): CB 69.670 69.670 69.013 0.657 RESID 135 (T): H 6.953 6.953 7.583 -0.630 RESID 136 (I): N 124.400 124.400 120.435 3.965 RESID 136 (I): C 175.800 175.800 175.545 0.255 RESID 136 (I): CA 63.940 63.940 63.991 -0.051 RESID 136 (I): CB 38.870 38.870 38.522 0.348 RESID 136 (I): H 7.694 7.694 7.278 0.416 RESID 137 (A): N 120.500 120.500 118.534 1.966 RESID 137 (A): C 172.300 172.300 173.920 -1.620 RESID 137 (A): CA 50.470 50.470 50.613 -0.143 RESID 137 (A): CB 19.320 19.320 19.458 -0.138 RESID 137 (A): H 7.540 7.540 8.020 -0.480 RESID 138 (P): C 174.700 174.700 176.216 -1.516 RESID 138 (P): CA 64.700 64.700 63.495 1.204 RESID 138 (P): CB 31.610 31.610 31.574 0.036 RESID 139 (T): N 122.000 122.000 120.073 1.927 RESID 139 (T): C 173.900 173.900 173.995 -0.095 RESID 139 (T): CA 61.630 61.630 63.201 -1.571 RESID 139 (T): CB 71.540 71.540 69.675 1.865 RESID 139 (T): H 7.990 7.990 8.164 -0.174 RESID 140 (L): C 174.900 174.900 174.306 0.594 RESID 140 (L): CA 52.740 52.740 53.525 -0.785 RESID 140 (L): CB 46.680 46.680 45.973 0.707 RESID 141 (I): N 123.500 123.500 125.896 -2.396 RESID 141 (I): C 175.700 175.700 174.579 1.121 RESID 141 (I): CA 60.250 60.250 61.279 -1.029 RESID 141 (I): CB 39.590 39.590 38.454 1.136 RESID 141 (I): H 9.345 9.345 7.914 1.431 RESID 142 (I): N 129.000 129.000 127.085 1.915 RESID 142 (I): C 174.400 174.400 174.177 0.223 RESID 142 (I): CA 57.930 57.930 59.889 -1.959 RESID 142 (I): CB 39.690 39.690 41.956 -2.266 RESID 142 (I): H 9.030 9.030 8.861 0.169 RESID 143 (N): N 129.100 129.100 124.113 4.987 RESID 143 (N): C 174.700 174.700 174.239 0.461 RESID 143 (N): CA 51.390 51.390 53.247 -1.857 RESID 143 (N): CB 39.720 39.720 39.667 0.053 RESID 143 (N): H 9.388 9.388 8.659 0.729 RESID 144 (Y): N 119.900 119.900 125.422 -5.522 RESID 144 (Y): C 176.500 176.500 174.718 1.782 RESID 144 (Y): CA 55.820 55.820 59.367 -3.547 RESID 144 (Y): CB 39.120 39.120 39.381 -0.261 RESID 144 (Y): H 8.491 8.491 8.324 0.167 RESID 145 (D): N 125.200 125.200 124.389 0.811 RESID 145 (D): C 176.800 176.800 175.061 1.739 RESID 145 (D): CA 55.220 55.220 55.400 -0.180 RESID 145 (D): CB 43.120 43.120 39.775 3.345 RESID 145 (D): H 8.800 8.800 8.365 0.435 RESID 146 (D): N 119.100 119.100 115.153 3.947 RESID 146 (D): C 175.200 175.200 175.296 -0.096 RESID 146 (D): CA 53.230 53.230 53.593 -0.363 RESID 146 (D): CB 40.760 40.760 42.380 -1.620 RESID 146 (D): H 7.571 7.571 8.629 -1.058 RESID 147 (K): N 114.100 114.100 119.773 -5.673 RESID 147 (K): C 175.000 175.000 175.264 -0.264 RESID 147 (K): CA 54.070 54.070 55.600 -1.530 RESID 147 (K): CB 33.340 33.340 35.210 -1.870 RESID 147 (K): H 7.018 7.018 7.557 -0.539 RESID 148 (S): N 118.300 118.300 118.708 -0.408 RESID 148 (S): C 175.700 175.700 176.090 -0.390 RESID 148 (S): CA 57.120 57.120 57.177 -0.057 RESID 148 (S): CB 64.970 64.970 64.245 0.725 RESID 148 (S): H 8.709 8.709 8.501 0.208 RESID 149 (W): N 121.700 121.700 119.984 1.716 RESID 149 (W): C 179.300 179.300 177.230 2.070 RESID 149 (W): CA 59.890 59.890 58.578 1.312 RESID 149 (W): CB 27.660 27.660 28.384 -0.724 RESID 149 (W): H 8.779 8.779 8.910 -0.131 RESID 150 (Q): N 124.600 124.600 121.372 3.228 RESID 150 (Q): C 178.100 178.100 177.849 0.251 RESID 150 (Q): CA 61.660 61.660 58.287 3.373 RESID 150 (Q): CB 26.550 26.550 27.743 -1.193 RESID 150 (Q): H 8.369 8.369 6.758 1.611 RESID 151 (S): N 117.500 117.500 116.379 1.121 RESID 151 (S): C 177.500 177.500 176.915 0.585 RESID 151 (S): CA 61.760 61.760 61.175 0.585 RESID 151 (S): CB 63.360 63.360 62.658 0.702 RESID 151 (S): H 7.769 7.769 7.684 0.085 RESID 152 (L): N 125.200 125.200 122.675 2.525 RESID 152 (L): C 178.700 178.700 178.139 0.561 RESID 152 (L): CA 58.320 58.320 57.928 0.392 RESID 152 (L): CB 41.980 41.980 41.683 0.297 RESID 152 (L): H 8.460 8.460 8.409 0.051 RESID 153 (L): N 119.200 119.200 118.623 0.577 RESID 153 (L): C 179.700 179.700 178.664 1.036 RESID 153 (L): CA 58.960 58.960 57.533 1.427 RESID 153 (L): CB 41.270 41.270 41.370 -0.100 RESID 153 (L): H 8.562 8.562 7.618 0.944 RESID 154 (T): N 116.300 116.300 112.793 3.507 RESID 154 (T): C 177.200 177.200 176.893 0.307 RESID 154 (T): CA 67.290 67.290 65.979 1.311 RESID 154 (T): CB 68.640 68.640 68.108 0.532 RESID 154 (T): H 8.004 8.004 7.863 0.141 RESID 155 (Q): N 124.500 124.500 121.026 3.474 RESID 155 (Q): C 179.200 179.200 178.017 1.183 RESID 155 (Q): CA 59.710 59.710 58.349 1.361 RESID 155 (Q): CB 28.620 28.620 28.360 0.260 RESID 155 (Q): H 8.230 8.230 7.914 0.316 RESID 156 (L): C 180.900 180.900 179.265 1.635 RESID 156 (L): CA 57.540 57.540 56.925 0.615 RESID 156 (L): CB 41.710 41.710 41.842 -0.132 RESID 157 (G): N 112.800 112.800 106.975 5.825 RESID 157 (G): C 174.500 174.500 175.056 -0.556 RESID 157 (G): CA 48.300 48.300 46.506 1.794 RESID 157 (G): H 9.216 9.216 8.008 1.208 RESID 158 (E): N 123.500 123.500 118.700 4.800 RESID 158 (E): C 177.800 177.800 177.181 0.619 RESID 158 (E): CA 59.120 59.120 57.886 1.234 RESID 158 (E): CB 29.700 29.700 29.391 0.309 RESID 158 (E): H 7.480 7.480 7.457 0.023 RESID 160 (T): C 178.300 178.300 176.011 2.289 RESID 160 (T): CA 61.930 61.930 63.081 -1.151 RESID 160 (T): CB 71.830 71.830 69.173 2.657 RESID 161 (G): N 113.600 113.600 113.963 -0.363 RESID 161 (G): C 174.600 174.600 174.196 0.404 RESID 161 (G): CA 48.130 48.130 46.868 1.262 RESID 161 (G): H 8.114 8.114 8.995 -0.881 RESID 162 (H): N 121.000 121.000 116.282 4.718 RESID 162 (H): C 174.000 174.000 176.222 -2.222 RESID 162 (H): CA 55.370 55.370 55.928 -0.558 RESID 162 (H): CB 28.280 28.280 31.212 -2.932 RESID 162 (H): H 8.506 8.506 7.835 0.671 RESID 163 (E): N 123.900 123.900 122.112 1.788 RESID 163 (E): C 180.800 180.800 178.481 2.319 RESID 163 (E): CA 61.160 61.160 59.759 1.401 RESID 163 (E): CB 28.720 28.720 29.137 -0.417 RESID 163 (E): H 10.300 10.300 8.760 1.540 RESID 164 (K): N 120.600 120.600 120.351 0.249 RESID 164 (K): C 178.700 178.700 178.791 -0.091 RESID 164 (K): CA 59.590 59.590 60.049 -0.459 RESID 164 (K): CB 32.280 32.280 31.971 0.309 RESID 164 (K): H 8.789 8.789 8.390 0.399 RESID 165 (Q): N 119.500 119.500 117.332 2.168 RESID 165 (Q): C 178.800 178.800 178.139 0.661 RESID 165 (Q): CA 60.870 60.870 58.850 2.020 RESID 165 (Q): CB 28.120 28.120 28.384 -0.265 RESID 165 (Q): H 8.058 8.058 8.537 -0.479 RESID 166 (A): N 121.100 121.100 122.424 -1.324 RESID 166 (A): C 178.000 178.000 179.426 -1.426 RESID 166 (A): CA 56.280 56.280 54.966 1.314 RESID 166 (A): CB 18.300 18.300 18.075 0.225 RESID 166 (A): H 7.873 7.873 8.086 -0.213 RESID 167 (A): N 117.900 117.900 120.944 -3.044 RESID 167 (A): C 181.500 181.500 179.619 1.881 RESID 167 (A): CA 55.100 55.100 55.258 -0.158 RESID 167 (A): CB 17.860 17.860 18.169 -0.309 RESID 167 (A): H 7.642 7.642 8.747 -1.105 RESID 168 (E): N 120.100 120.100 118.572 1.528 RESID 168 (E): C 179.600 179.600 179.131 0.469 RESID 168 (E): CA 59.610 59.610 59.612 -0.002 RESID 168 (E): CB 29.790 29.790 29.339 0.451 RESID 168 (E): H 8.230 8.230 7.916 0.314 RESID 170 (I): C 177.700 177.700 177.695 0.005 RESID 170 (I): CA 66.880 66.880 65.296 1.584 RESID 170 (I): CB 39.310 39.310 37.956 1.354 RESID 171 (A): N 120.700 120.700 123.208 -2.508 RESID 171 (A): C 181.200 181.200 179.834 1.366 RESID 171 (A): CA 55.290 55.290 55.645 -0.355 RESID 171 (A): CB 18.260 18.260 18.109 0.151 RESID 171 (A): H 8.000 8.000 8.782 -0.782 RESID 172 (Q): N 120.600 120.600 118.032 2.568 RESID 172 (Q): C 179.200 179.200 178.584 0.616 RESID 172 (Q): CA 59.210 59.210 58.510 0.700 RESID 172 (Q): CB 28.340 28.340 28.598 -0.258 RESID 172 (Q): H 8.585 8.585 7.952 0.633 RESID 173 (F): N 122.500 122.500 122.599 -0.099 RESID 173 (F): C 176.400 176.400 177.414 -1.014 RESID 173 (F): CA 62.710 62.710 61.110 1.600 RESID 173 (F): CB 39.490 39.490 39.129 0.361 RESID 173 (F): H 8.457 8.457 8.753 -0.296 RESID 174 (D): N 121.000 121.000 120.136 0.864 RESID 174 (D): C 180.300 180.300 178.888 1.412 RESID 174 (D): CA 58.040 58.040 57.497 0.543 RESID 174 (D): CB 40.160 40.160 40.258 -0.097 RESID 174 (D): H 8.771 8.771 9.043 -0.272 RESID 175 (K): N 121.300 121.300 120.227 1.073 RESID 175 (K): C 179.800 179.800 178.637 1.163 RESID 175 (K): CA 59.630 59.630 59.644 -0.014 RESID 175 (K): CB 32.710 32.710 32.397 0.313 RESID 175 (K): H 8.125 8.125 8.207 -0.082 RESID 176 (Q): N 121.600 121.600 119.496 2.104 RESID 176 (Q): C 179.100 179.100 178.331 0.769 RESID 176 (Q): CA 58.460 58.460 58.937 -0.477 RESID 176 (Q): CB 27.990 27.990 28.525 -0.535 RESID 176 (Q): H 8.164 8.164 7.826 0.338 RESID 177 (L): N 125.600 125.600 119.597 6.003 RESID 177 (L): C 178.400 178.400 178.671 -0.271 RESID 177 (L): CA 59.890 59.890 57.232 2.658 RESID 177 (L): CB 41.200 41.200 41.361 -0.161 RESID 177 (L): H 8.944 8.944 7.742 1.202 RESID 178 (A): N 121.500 121.500 122.576 -1.076 RESID 178 (A): C 180.600 180.600 179.224 1.376 RESID 178 (A): CA 55.390 55.390 55.199 0.191 RESID 178 (A): CB 17.970 17.970 17.876 0.094 RESID 178 (A): H 7.690 7.690 8.241 -0.551 RESID 179 (A): N 120.200 120.200 121.009 -0.809 RESID 179 (A): C 180.600 180.600 179.863 0.737 RESID 179 (A): CA 54.860 54.860 54.519 0.341 RESID 179 (A): CB 18.190 18.190 18.598 -0.408 RESID 179 (A): H 7.706 7.706 7.646 0.060 RESID 180 (A): N 121.800 121.800 121.743 0.057 RESID 180 (A): C 179.200 179.200 179.112 0.088 RESID 180 (A): CA 55.490 55.490 54.730 0.760 RESID 180 (A): CB 17.920 17.920 18.221 -0.301 RESID 180 (A): H 8.171 8.171 7.983 0.188 RESID 181 (K): N 118.100 118.100 117.929 0.171 RESID 181 (K): C 178.000 178.000 178.101 -0.101 RESID 181 (K): CA 59.830 59.830 59.201 0.629 RESID 181 (K): CB 33.340 33.340 32.642 0.698 RESID 181 (K): H 8.342 8.342 8.315 0.027 RESID 182 (E): N 114.400 114.400 116.482 -2.082 RESID 182 (E): C 177.300 177.300 177.411 -0.111 RESID 182 (E): CA 57.870 57.870 57.113 0.757 RESID 182 (E): CB 30.320 30.320 29.215 1.105 RESID 182 (E): H 7.153 7.153 7.677 -0.524 RESID 183 (Q): N 116.700 116.700 117.387 -0.687 RESID 183 (Q): C 177.200 177.200 176.165 1.035 RESID 183 (Q): CA 57.060 57.060 56.815 0.245 RESID 183 (Q): CB 31.550 31.550 31.140 0.410 RESID 183 (Q): H 7.458 7.458 7.638 -0.180 RESID 184 (I): N 117.800 117.800 115.869 1.931 RESID 184 (I): C 175.200 175.200 174.241 0.959 RESID 184 (I): CA 63.000 63.000 59.748 3.252 RESID 184 (I): CB 40.300 40.300 39.961 0.339 RESID 184 (I): H 7.723 7.723 7.427 0.296 RESID 185 (K): N 127.700 127.700 122.955 4.745 RESID 185 (K): C 175.600 175.600 175.629 -0.029 RESID 185 (K): CA 54.550 54.550 55.114 -0.564 RESID 185 (K): CB 31.600 31.600 34.506 -2.906 RESID 185 (K): H 8.743 8.743 7.913 0.830 RESID 186 (L): N 124.700 124.700 125.762 -1.062 RESID 186 (L): C 175.700 175.700 175.904 -0.204 RESID 186 (L): CA 54.240 54.240 51.881 2.359 RESID 186 (L): CB 41.050 41.050 40.670 0.380 RESID 186 (L): H 8.051 8.051 8.483 -0.432 RESID 188 (P): C 174.800 174.800 176.255 -1.455 RESID 188 (P): CA 65.060 65.060 63.586 1.474 RESID 188 (P): CB 32.670 32.670 31.666 1.004 RESID 189 (Q): N 121.300 121.300 121.110 0.190 RESID 189 (Q): C 174.800 174.800 172.918 1.882 RESID 189 (Q): CA 52.330 52.330 54.723 -2.393 RESID 189 (Q): CB 31.350 31.350 30.397 0.953 RESID 189 (Q): H 8.061 8.061 8.225 -0.164 RESID 190 (P): C 175.500 175.500 175.546 -0.046 RESID 190 (P): CA 62.820 62.820 62.482 0.338 RESID 190 (P): CB 35.450 35.450 32.805 2.645 RESID 191 (V): N 112.600 112.600 121.712 -9.112 RESID 191 (V): C 174.300 174.300 173.975 0.325 RESID 191 (V): CA 59.740 59.740 59.515 0.225 RESID 191 (V): CB 35.030 35.030 34.704 0.326 RESID 191 (V): H 9.214 9.214 8.564 0.650 RESID 192 (T): N 120.700 120.700 113.366 7.334 RESID 192 (T): C 172.300 172.300 172.084 0.216 RESID 192 (T): CA 63.030 63.030 59.526 3.505 RESID 192 (T): CB 71.550 71.550 71.254 0.297 RESID 192 (T): H 8.462 8.462 8.314 0.148 RESID 193 (A): N 132.900 132.900 123.006 9.894 RESID 193 (A): C 175.400 175.400 175.402 -0.002 RESID 193 (A): CA 50.570 50.570 51.118 -0.548 RESID 193 (A): CB 21.140 21.140 21.431 -0.291 RESID 193 (A): H 10.170 10.170 8.561 1.609 RESID 194 (I): N 115.400 115.400 117.492 -2.092 RESID 194 (I): C 176.600 176.600 173.697 2.903 RESID 194 (I): CA 59.540 59.540 60.002 -0.462 RESID 194 (I): CB 43.930 43.930 42.116 1.814 RESID 194 (I): H 9.269 9.269 8.522 0.747 RESID 195 (V): N 118.500 118.500 122.777 -4.277 RESID 195 (V): C 176.200 176.200 174.066 2.134 RESID 195 (V): CA 63.190 63.190 61.380 1.810 RESID 195 (V): CB 34.870 34.870 34.727 0.143 RESID 195 (V): H 8.484 8.484 8.650 -0.166 RESID 196 (Y): N 132.200 132.200 129.481 2.719 RESID 196 (Y): C 174.700 174.700 174.143 0.557 RESID 196 (Y): CA 57.000 57.000 57.407 -0.407 RESID 196 (Y): CB 41.250 41.250 40.175 1.075 RESID 196 (Y): H 9.989 9.989 8.981 1.008 RESID 197 (T): N 124.900 124.900 123.409 1.491 RESID 197 (T): C 174.300 174.300 173.366 0.934 RESID 197 (T): CA 60.740 60.740 60.622 0.118 RESID 197 (T): CB 68.560 68.560 71.569 -3.009 RESID 197 (T): H 8.262 8.262 7.834 0.428 RESID 198 (A): N 130.500 130.500 130.793 -0.293 RESID 198 (A): C 180.400 180.400 179.230 1.170 RESID 198 (A): CA 55.510 55.510 54.343 1.167 RESID 198 (A): CB 18.480 18.480 18.399 0.081 RESID 198 (A): H 8.524 8.524 8.854 -0.330 RESID 199 (A): N 118.700 118.700 123.540 -4.840 RESID 199 (A): C 177.700 177.700 178.703 -1.003 RESID 199 (A): CA 54.350 54.350 54.860 -0.510 RESID 199 (A): CB 18.350 18.350 17.937 0.413 RESID 199 (A): H 8.578 8.578 8.285 0.293 RESID 200 (A): N 116.700 116.700 120.527 -3.827 RESID 200 (A): C 176.600 176.600 177.244 -0.644 RESID 200 (A): CA 51.290 51.290 52.049 -0.759 RESID 200 (A): CB 20.180 20.180 18.861 1.319 RESID 200 (A): H 6.638 6.638 8.100 -1.462 RESID 201 (H): N 116.900 116.900 116.565 0.335 RESID 201 (H): C 172.900 172.900 173.399 -0.499 RESID 201 (H): CA 56.710 56.710 56.337 0.373 RESID 201 (H): CB 27.820 27.820 28.268 -0.448 RESID 201 (H): H 7.569 7.569 7.791 -0.222 RESID 202 (S): N 110.500 110.500 114.142 -3.642 RESID 202 (S): C 171.500 171.500 171.852 -0.352 RESID 202 (S): CA 56.530 56.530 57.440 -0.910 RESID 202 (S): CB 66.170 66.170 66.421 -0.251 RESID 202 (S): H 7.109 7.109 7.773 -0.664 RESID 203 (A): N 120.900 120.900 123.633 -2.733 RESID 203 (A): C 174.900 174.900 175.343 -0.443 RESID 203 (A): CA 50.890 50.890 51.541 -0.651 RESID 203 (A): CB 24.510 24.510 22.288 2.222 RESID 203 (A): H 8.618 8.618 8.231 0.387 RESID 204 (N): N 118.900 118.900 118.814 0.086 RESID 204 (N): C 173.300 173.300 173.451 -0.151 RESID 204 (N): CA 51.520 51.520 52.077 -0.557 RESID 204 (N): CB 40.080 40.080 42.182 -2.102 RESID 204 (N): H 8.333 8.333 8.222 0.111 RESID 205 (L): N 127.200 127.200 121.691 5.509 RESID 205 (L): C 175.700 175.700 175.565 0.135 RESID 205 (L): CA 54.920 54.920 54.059 0.861 RESID 205 (L): CB 44.180 44.180 42.676 1.504 RESID 205 (L): H 9.265 9.265 7.611 1.654 RESID 206 (W): N 125.300 125.300 123.647 1.653 RESID 206 (W): C 177.100 177.100 176.446 0.654 RESID 206 (W): CA 56.630 56.630 57.373 -0.743 RESID 206 (W): CB 29.690 29.690 30.832 -1.142 RESID 206 (W): H 8.560 8.560 7.930 0.630 RESID 207 (T): N 112.000 112.000 110.178 1.822 RESID 207 (T): C 176.100 176.100 173.278 2.822 RESID 207 (T): CA 60.120 60.120 59.242 0.878 RESID 207 (T): CB 68.540 68.540 70.383 -1.843 RESID 207 (T): H 8.029 8.029 8.138 -0.109 RESID 208 (P): C 176.000 176.000 176.848 -0.848 RESID 208 (P): CA 66.120 66.120 65.388 0.733 RESID 208 (P): CB 31.950 31.950 32.165 -0.215 RESID 209 (E): N 112.300 112.300 115.068 -2.768 RESID 209 (E): C 177.100 177.100 176.809 0.291 RESID 209 (E): CA 57.280 57.280 57.212 0.068 RESID 209 (E): CB 29.760 29.760 30.148 -0.389 RESID 209 (E): H 7.612 7.612 7.971 -0.359 RESID 210 (S): N 115.800 115.800 115.085 0.715 RESID 210 (S): C 173.900 173.900 175.522 -1.622 RESID 210 (S): CA 58.060 58.060 59.129 -1.069 RESID 210 (S): CB 67.320 67.320 64.476 2.844 RESID 210 (S): H 7.654 7.654 7.431 0.223 RESID 211 (A): N 125.200 125.200 127.338 -2.138 RESID 211 (A): C 180.600 180.600 179.847 0.753 RESID 211 (A): CA 55.410 55.410 55.307 0.103 RESID 211 (A): CB 18.530 18.530 18.757 -0.227 RESID 211 (A): H 8.874 8.874 9.020 -0.146 RESID 212 (Q): N 119.200 119.200 118.638 0.562 RESID 212 (Q): C 177.100 177.100 178.016 -0.916 RESID 212 (Q): CA 61.410 61.410 58.971 2.439 RESID 212 (Q): CB 27.090 27.090 27.418 -0.328 RESID 212 (Q): H 8.493 8.493 8.477 0.016 RESID 213 (G): N 107.500 107.500 107.641 -0.141 RESID 213 (G): C 175.400 175.400 176.317 -0.917 RESID 213 (G): CA 47.520 47.520 46.827 0.693 RESID 213 (G): H 8.053 8.053 8.301 -0.248 RESID 214 (Q): N 120.700 120.700 121.464 -0.764 RESID 214 (Q): C 179.000 179.000 178.385 0.615 RESID 214 (Q): CA 59.150 59.150 58.855 0.295 RESID 214 (Q): CB 29.110 29.110 28.692 0.418 RESID 214 (Q): H 8.501 8.501 8.070 0.431 RESID 215 (M): N 119.200 119.200 120.625 -1.425 RESID 215 (M): C 177.800 177.800 178.176 -0.376 RESID 215 (M): CA 59.760 59.760 59.647 0.113 RESID 215 (M): CB 32.050 32.050 32.849 -0.799 RESID 215 (M): H 7.878 7.878 8.190 -0.312 RESID 216 (L): N 115.800 115.800 118.796 -2.996 RESID 216 (L): C 179.900 179.900 179.031 0.869 RESID 216 (L): CA 58.160 58.160 57.648 0.513 RESID 216 (L): CB 40.010 40.010 41.456 -1.446 RESID 216 (L): H 7.517 7.517 7.970 -0.453 RESID 217 (E): N 121.000 121.000 119.670 1.330 RESID 217 (E): C 182.200 182.200 179.257 2.943 RESID 217 (E): CA 60.210 60.210 58.934 1.276 RESID 217 (E): CB 29.150 29.150 29.416 -0.267 RESID 217 (E): H 8.377 8.377 8.164 0.213 RESID 218 (Q): N 122.300 122.300 117.085 5.215 RESID 218 (Q): C 178.100 178.100 178.860 -0.760 RESID 218 (Q): CA 59.220 59.220 58.239 0.981 RESID 218 (Q): CB 28.850 28.850 29.114 -0.264 RESID 218 (Q): H 8.464 8.464 7.921 0.543 RESID 219 (L): N 118.400 118.400 117.708 0.692 RESID 219 (L): C 175.200 175.200 177.460 -2.260 RESID 219 (L): CA 55.880 55.880 57.226 -1.346 RESID 219 (L): CB 44.330 44.330 42.876 1.454 RESID 219 (L): H 7.433 7.433 7.759 -0.326 RESID 220 (G): N 104.600 104.600 102.672 1.928 RESID 220 (G): C 174.700 174.700 172.915 1.785 RESID 220 (G): CA 44.750 44.750 44.687 0.063 RESID 220 (G): H 7.777 7.777 8.165 -0.388 RESID 221 (F): N 119.100 119.100 118.943 0.157 RESID 221 (F): C 175.200 175.200 174.343 0.857 RESID 221 (F): CA 57.900 57.900 55.972 1.928 RESID 221 (F): CB 38.930 38.930 42.785 -3.855 RESID 221 (F): H 8.001 8.001 7.771 0.230 RESID 222 (T): N 117.600 117.600 116.028 1.572 RESID 222 (T): C 173.900 173.900 173.385 0.515 RESID 222 (T): CA 61.790 61.790 61.207 0.583 RESID 222 (T): CB 71.360 71.360 69.742 1.618 RESID 222 (T): H 8.961 8.961 8.569 0.392 RESID 223 (L): N 128.300 128.300 127.117 1.183 RESID 223 (L): C 178.300 178.300 176.648 1.652 RESID 223 (L): CA 54.760 54.760 53.405 1.355 RESID 223 (L): CB 41.600 41.600 42.742 -1.142 RESID 223 (L): H 9.269 9.269 8.200 1.069 RESID 224 (A): N 126.800 126.800 128.070 -1.270 RESID 224 (A): C 177.400 177.400 175.854 1.546 RESID 224 (A): CA 52.460 52.460 50.980 1.480 RESID 224 (A): CB 18.650 18.650 20.839 -2.189 RESID 224 (A): H 9.077 9.077 8.100 0.977 RESID 225 (K): N 123.400 123.400 121.207 2.193 RESID 225 (K): C 176.800 176.800 176.190 0.610 RESID 225 (K): CA 55.600 55.600 55.578 0.022 RESID 225 (K): CB 33.080 33.080 32.907 0.173 RESID 225 (K): H 8.601 8.601 8.364 0.237 RESID 226 (L): N 126.200 126.200 128.013 -1.813 RESID 226 (L): C 175.500 175.500 175.608 -0.108 RESID 226 (L): CA 53.420 53.420 53.942 -0.522 RESID 226 (L): CB 41.720 41.720 41.245 0.475 RESID 226 (L): H 8.634 8.634 8.521 0.113 RESID 227 (P): C 176.800 176.800 177.074 -0.274 RESID 227 (P): CA 62.860 62.860 62.888 -0.028 RESID 227 (P): CB 32.360 32.360 32.187 0.173 RESID 228 (A): N 124.900 124.900 124.841 0.059 RESID 228 (A): C 179.500 179.500 178.485 1.015 RESID 228 (A): CA 54.120 54.120 53.416 0.704 RESID 228 (A): CB 18.710 18.710 18.701 0.009 RESID 228 (A): H 8.412 8.412 8.513 -0.101 RESID 229 (G): N 107.700 107.700 107.489 0.211 RESID 229 (G): C 175.000 175.000 175.991 -0.991 RESID 229 (G): CA 46.040 46.040 45.433 0.607 RESID 229 (G): H 8.565 8.565 8.096 0.469 RESID 230 (L): N 121.100 121.100 122.339 -1.239 RESID 230 (L): C 176.900 176.900 178.350 -1.450 RESID 230 (L): CA 55.620 55.620 55.516 0.104 RESID 230 (L): CB 42.630 42.630 41.687 0.943 RESID 230 (L): H 7.454 7.454 7.879 -0.425 RESID 231 (N): N 119.400 119.400 119.850 -0.450 RESID 231 (N): C 175.300 175.300 175.900 -0.600 RESID 231 (N): CA 53.650 53.650 56.111 -2.461 RESID 231 (N): CB 38.940 38.940 37.980 0.960 RESID 231 (N): H 8.211 8.211 8.019 0.192 RESID 232 (A): N 124.500 124.500 119.579 4.921 RESID 232 (A): C 178.100 178.100 178.069 0.031 RESID 232 (A): CA 53.110 53.110 51.702 1.409 RESID 232 (A): CB 19.340 19.340 18.010 1.330 RESID 232 (A): H 8.103 8.103 7.924 0.179 RESID 233 (S): N 115.200 115.200 115.217 -0.017 RESID 233 (S): C 175.100 175.100 175.578 -0.478 RESID 233 (S): CA 59.280 59.280 60.953 -1.673 RESID 233 (S): CB 64.280 64.280 63.327 0.953 RESID 233 (S): H 8.169 8.169 8.443 -0.274 RESID 234 (Q): N 122.100 122.100 120.670 1.430 RESID 234 (Q): C 176.400 176.400 175.676 0.724 RESID 234 (Q): CA 56.240 56.240 56.059 0.182 RESID 234 (Q): CB 29.490 29.490 30.830 -1.340 RESID 234 (Q): H 8.230 8.230 7.782 0.448 RESID 235 (S): N 117.100 117.100 118.086 -0.986 RESID 235 (S): C 174.900 174.900 174.658 0.242 RESID 235 (S): CA 58.910 58.910 58.905 0.005 RESID 235 (S): CB 64.510 64.510 62.898 1.612 RESID 235 (S): H 8.229 8.229 8.439 -0.210 RESID 236 (Q): N 122.300 122.300 127.142 -4.842 RESID 236 (Q): C 176.700 176.700 175.440 1.260 RESID 236 (Q): CA 56.610 56.610 55.488 1.122 RESID 236 (Q): CB 29.280 29.280 27.645 1.635 RESID 236 (Q): H 8.372 8.372 8.863 -0.491 RESID 237 (G): N 110.400 110.400 109.022 1.378 RESID 237 (G): C 174.100 174.100 172.963 1.137 RESID 237 (G): CA 45.720 45.720 45.470 0.250 RESID 237 (G): H 8.381 8.381 7.575 0.806 RESID 238 (K): N 120.500 120.500 121.462 -0.962 RESID 238 (K): C 176.600 176.600 175.488 1.112 RESID 238 (K): CA 56.490 56.490 56.019 0.471 RESID 238 (K): CB 33.320 33.320 32.758 0.562 RESID 238 (K): H 7.968 7.968 8.356 -0.388 RESID 239 (R): N 120.900 120.900 125.004 -4.104 RESID 239 (R): CA 56.130 56.130 55.942 0.188 RESID 239 (R): CB 31.560 31.560 30.906 0.654 RESID 239 (R): H 8.159 8.159 8.505 -0.346 RESID 240 (H): C 174.800 174.800 176.523 -1.723 RESID 240 (H): CA 55.740 55.740 58.635 -2.895 RESID 240 (H): CB 29.760 29.760 30.069 -0.309 RESID 241 (D): N 119.800 119.800 119.222 0.578 RESID 241 (D): C 174.700 174.700 176.266 -1.566 RESID 241 (D): CA 55.500 55.500 55.984 -0.484 RESID 241 (D): CB 40.550 40.550 41.216 -0.666 RESID 241 (D): H 9.052 9.052 8.390 0.662 RESID 242 (I): N 115.200 115.200 115.023 0.177 RESID 242 (I): C 175.600 175.600 174.395 1.205 RESID 242 (I): CA 59.090 59.090 59.402 -0.312 RESID 242 (I): CB 43.670 43.670 40.914 2.756 RESID 242 (I): H 7.087 7.087 7.412 -0.325 RESID 243 (I): N 125.100 125.100 126.157 -1.057 RESID 243 (I): C 175.300 175.300 174.271 1.029 RESID 243 (I): CA 60.340 60.340 60.636 -0.296 RESID 243 (I): CB 41.290 41.290 38.377 2.913 RESID 243 (I): H 8.746 8.746 8.520 0.226 RESID 244 (Q): N 128.400 128.400 127.540 0.860 RESID 244 (Q): C 175.300 175.300 174.255 1.045 RESID 244 (Q): CA 56.460 56.460 54.931 1.529 RESID 244 (Q): CB 29.800 29.800 29.775 0.025 RESID 244 (Q): H 8.768 8.768 8.597 0.171 RESID 245 (L): N 125.500 125.500 123.507 1.993 RESID 245 (L): C 176.200 176.200 176.609 -0.409 RESID 245 (L): CA 53.790 53.790 53.113 0.677 RESID 245 (L): CB 45.100 45.100 44.854 0.246 RESID 245 (L): H 8.640 8.640 8.343 0.297 RESID 246 (G): N 109.700 109.700 105.066 4.634 RESID 246 (G): C 174.200 174.200 174.323 -0.123 RESID 246 (G): CA 44.590 44.590 45.038 -0.448 RESID 246 (G): H 8.424 8.424 8.443 -0.019 RESID 247 (G): N 108.500 108.500 108.659 -0.159 RESID 247 (G): C 176.800 176.800 174.979 1.821 RESID 247 (G): CA 47.500 47.500 44.357 3.143 RESID 247 (G): H 8.666 8.666 7.737 0.929 RESID 248 (E): N 123.700 123.700 121.196 2.504 RESID 248 (E): C 177.300 177.300 176.521 0.779 RESID 248 (E): CA 58.560 58.560 57.504 1.056 RESID 248 (E): CB 29.330 29.330 29.223 0.107 RESID 248 (E): H 9.265 9.265 8.810 0.455 RESID 249 (N): N 116.700 116.700 116.466 0.234 RESID 249 (N): C 175.500 175.500 175.998 -0.498 RESID 249 (N): CA 53.490 53.490 53.648 -0.158 RESID 249 (N): CB 39.390 39.390 38.745 0.645 RESID 249 (N): H 7.963 7.963 7.635 0.328 RESID 250 (L): N 121.100 121.100 119.914 1.186 RESID 250 (L): C 177.100 177.100 178.103 -1.003 RESID 250 (L): CA 58.810 58.810 57.025 1.785 RESID 250 (L): CB 42.220 42.220 41.471 0.749 RESID 250 (L): H 7.104 7.104 7.793 -0.689 RESID 251 (A): N 117.400 117.400 122.403 -5.003 RESID 251 (A): C 179.500 179.500 178.167 1.333 RESID 251 (A): CA 55.340 55.340 54.660 0.680 RESID 251 (A): CB 17.960 17.960 18.387 -0.427 RESID 251 (A): H 8.141 8.141 8.312 -0.171 RESID 252 (A): N 117.400 117.400 118.575 -1.175 RESID 252 (A): C 179.100 179.100 178.322 0.778 RESID 252 (A): CA 53.990 53.990 52.395 1.595 RESID 252 (A): CB 18.970 18.970 18.956 0.014 RESID 252 (A): H 7.375 7.375 8.409 -1.034 RESID 253 (G): N 100.600 100.600 107.903 -7.303 RESID 253 (G): C 172.700 172.700 174.794 -2.094 RESID 253 (G): CA 45.380 45.380 45.019 0.361 RESID 253 (G): H 7.589 7.589 7.545 0.044 RESID 254 (L): N 124.800 124.800 122.853 1.947 RESID 254 (L): C 175.300 175.300 177.592 -2.292 RESID 254 (L): CA 53.020 53.020 54.861 -1.841 RESID 254 (L): CB 39.090 39.090 42.102 -3.012 RESID 254 (L): H 7.202 7.202 7.797 -0.595 RESID 255 (N): N 113.800 113.800 121.515 -7.715 RESID 255 (N): C 176.600 176.600 176.250 0.350 RESID 255 (N): CA 53.420 53.420 54.014 -0.594 RESID 255 (N): CB 37.600 37.600 38.820 -1.220 RESID 255 (N): H 7.701 7.701 8.843 -1.142 RESID 256 (G): N 109.100 109.100 106.573 2.527 RESID 256 (G): C 172.200 172.200 174.552 -2.352 RESID 256 (G): CA 45.790 45.790 45.353 0.437 RESID 256 (G): H 7.856 7.856 8.557 -0.701 RESID 257 (E): N 120.100 120.100 118.752 1.348 RESID 257 (E): C 176.900 176.900 175.541 1.359 RESID 257 (E): CA 57.880 57.880 56.561 1.319 RESID 257 (E): CB 29.760 29.760 30.602 -0.842 RESID 257 (E): H 8.443 8.443 8.630 -0.187 RESID 258 (S): N 107.500 107.500 113.751 -6.251 RESID 258 (S): C 172.500 172.500 172.437 0.063 RESID 258 (S): CA 58.010 58.010 58.544 -0.534 RESID 258 (S): CB 66.360 66.360 63.746 2.614 RESID 258 (S): H 7.176 7.176 8.014 -0.838 RESID 259 (L): N 124.900 124.900 127.521 -2.621 RESID 259 (L): C 173.900 173.900 176.489 -2.589 RESID 259 (L): CA 53.630 53.630 54.369 -0.739 RESID 259 (L): CB 46.240 46.240 42.365 3.875 RESID 259 (L): H 8.969 8.969 8.034 0.935 RESID 260 (F): N 123.700 123.700 123.081 0.619 RESID 260 (F): C 174.200 174.200 176.027 -1.827 RESID 260 (F): CA 56.460 56.460 54.971 1.489 RESID 260 (F): CB 41.560 41.560 40.418 1.142 RESID 260 (F): H 9.295 9.295 8.148 1.147 RESID 261 (L): N 123.900 123.900 120.186 3.714 RESID 261 (L): C 177.600 177.600 177.089 0.511 RESID 261 (L): CA 54.010 54.010 53.184 0.826 RESID 261 (L): CB 41.470 41.470 45.504 -4.034 RESID 261 (L): H 9.034 9.034 8.176 0.858 RESID 262 (F): N 123.800 123.800 122.281 1.519 RESID 262 (F): C 175.500 175.500 175.810 -0.310 RESID 262 (F): CA 58.850 58.850 56.960 1.890 RESID 262 (F): CB 39.930 39.930 38.483 1.447 RESID 262 (F): H 9.338 9.338 9.104 0.234 RESID 263 (A): N 121.900 121.900 124.100 -2.200 RESID 263 (A): C 175.300 175.300 177.026 -1.726 RESID 263 (A): CA 53.630 53.630 52.650 0.980 RESID 263 (A): CB 19.700 19.700 16.803 2.897 RESID 263 (A): H 8.902 8.902 8.258 0.644 RESID 264 (G): N 104.500 104.500 111.541 -7.041 RESID 264 (G): C 171.100 171.100 172.728 -1.628 RESID 264 (G): CA 45.540 45.540 45.059 0.481 RESID 264 (G): H 6.746 6.746 7.876 -1.130 RESID 265 (D): N 122.300 122.300 122.681 -0.381 RESID 265 (D): C 177.300 177.300 177.265 0.035 RESID 265 (D): CA 51.660 51.660 52.767 -1.107 RESID 265 (D): CB 42.840 42.840 42.263 0.577 RESID 265 (D): H 9.052 9.052 8.119 0.933 RESID 266 (Q): N 118.400 118.400 119.611 -1.211 RESID 266 (Q): C 177.600 177.600 177.458 0.142 RESID 266 (Q): CA 58.620 58.620 59.069 -0.449 RESID 266 (Q): CB 28.490 28.490 28.648 -0.158 RESID 266 (Q): H 8.277 8.277 8.605 -0.328 RESID 267 (K): N 117.700 117.700 118.779 -1.079 RESID 267 (K): C 180.400 180.400 178.090 2.310 RESID 267 (K): CA 59.390 59.390 59.557 -0.167 RESID 267 (K): CB 31.440 31.440 31.787 -0.347 RESID 267 (K): H 7.879 7.879 7.922 -0.043 RESID 268 (D): N 121.600 121.600 119.658 1.942 RESID 268 (D): C 177.400 177.400 178.339 -0.939 RESID 268 (D): CA 57.980 57.980 56.979 1.001 RESID 268 (D): CB 41.550 41.550 40.250 1.300 RESID 268 (D): H 7.640 7.640 8.118 -0.478 RESID 269 (A): N 121.700 121.700 121.479 0.221 RESID 269 (A): C 179.000 179.000 178.420 0.580 RESID 269 (A): CA 55.640 55.640 54.925 0.715 RESID 269 (A): CB 17.490 17.490 18.193 -0.703 RESID 269 (A): H 7.370 7.370 7.623 -0.253 RESID 270 (D): N 118.200 118.200 117.985 0.215 RESID 270 (D): C 179.300 179.300 176.510 2.790 RESID 270 (D): CA 57.570 57.570 56.302 1.268 RESID 270 (D): CB 39.860 39.860 40.245 -0.385 RESID 270 (D): H 8.735 8.735 7.962 0.773 RESID 271 (A): N 122.900 122.900 119.899 3.001 RESID 271 (A): C 180.800 180.800 179.320 1.480 RESID 271 (A): CA 55.040 55.040 53.563 1.477 RESID 271 (A): CB 18.300 18.300 19.317 -1.017 RESID 271 (A): H 7.579 7.579 7.030 0.549 RESID 272 (I): N 0.000 0.000 120.463 -120.463 RESID 272 (I): C 178.300 178.300 176.956 1.344 RESID 272 (I): CA 63.880 63.880 64.660 -0.780 RESID 272 (I): CB 35.710 35.710 38.128 -2.418 RESID 272 (I): H 7.340 7.340 8.407 -1.067 RESID 273 (Y): N 116.300 116.300 116.984 -0.684 RESID 273 (Y): C 177.000 177.000 176.781 0.219 RESID 273 (Y): CA 61.100 61.100 58.285 2.815 RESID 273 (Y): CB 37.770 37.770 35.831 1.940 RESID 273 (Y): H 7.509 7.509 7.294 0.215 RESID 274 (A): N 118.600 118.600 121.856 -3.256 RESID 274 (A): C 177.200 177.200 177.182 0.018 RESID 274 (A): CA 52.030 52.030 53.006 -0.976 RESID 274 (A): CB 19.580 19.580 19.412 0.168 RESID 274 (A): H 7.495 7.495 7.831 -0.336 RESID 275 (N): N 119.900 119.900 118.233 1.667 RESID 275 (N): C 175.700 175.700 174.008 1.692 RESID 275 (N): CA 51.030 51.030 51.372 -0.342 RESID 275 (N): CB 38.590 38.590 37.026 1.564 RESID 275 (N): H 7.200 7.200 7.957 -0.757 RESID 276 (P): C 178.900 178.900 178.491 0.409 RESID 276 (P): CA 65.190 65.190 65.462 -0.272 RESID 276 (P): CB 32.440 32.440 32.039 0.400 RESID 277 (L): N 116.700 116.700 117.412 -0.712 RESID 277 (L): C 178.000 178.000 178.898 -0.898 RESID 277 (L): CA 56.630 56.630 57.551 -0.921 RESID 277 (L): CB 41.720 41.720 41.501 0.219 RESID 277 (L): H 7.777 7.777 7.927 -0.150 RESID 278 (L): N 115.100 115.100 116.582 -1.482 RESID 278 (L): C 176.600 176.600 177.877 -1.277 RESID 278 (L): CA 53.200 53.200 54.947 -1.747 RESID 278 (L): CB 40.960 40.960 41.311 -0.351 RESID 278 (L): H 7.485 7.485 7.679 -0.194 RESID 279 (A): N 118.600 118.600 123.104 -4.504 RESID 279 (A): C 177.700 177.700 177.808 -0.108 RESID 279 (A): CA 55.090 55.090 54.371 0.719 RESID 279 (A): CB 19.710 19.710 18.602 1.107 RESID 279 (A): H 6.665 6.665 7.907 -1.242 RESID 280 (H): N 111.600 111.600 115.283 -3.683 RESID 280 (H): C 175.500 175.500 175.208 0.292 RESID 280 (H): CA 55.360 55.360 56.248 -0.888 RESID 280 (H): CB 29.540 29.540 28.639 0.901 RESID 280 (H): H 8.337 8.337 8.186 0.151 RESID 281 (L): N 124.100 124.100 122.514 1.586 RESID 281 (L): C 176.300 176.300 175.871 0.429 RESID 281 (L): CA 53.330 53.330 52.956 0.374 RESID 281 (L): CB 40.490 40.490 41.941 -1.452 RESID 281 (L): H 7.289 7.289 7.445 -0.156 RESID 282 (P): C 178.200 178.200 178.383 -0.183 RESID 282 (P): CA 66.050 66.050 65.689 0.361 RESID 282 (P): CB 32.150 32.150 31.720 0.430 RESID 283 (A): N 116.000 116.000 119.210 -3.210 RESID 283 (A): C 179.000 179.000 179.851 -0.851 RESID 283 (A): CA 55.630 55.630 55.193 0.437 RESID 283 (A): CB 19.490 19.490 18.184 1.306 RESID 283 (A): H 7.969 7.969 8.425 -0.456 RESID 284 (V): N 115.200 115.200 118.486 -3.286 RESID 284 (V): C 180.000 180.000 178.927 1.073 RESID 284 (V): CA 65.640 65.640 65.888 -0.248 RESID 284 (V): CB 32.560 32.560 30.820 1.740 RESID 284 (V): H 6.557 6.557 7.677 -1.120 RESID 285 (Q): N 121.200 121.200 120.436 0.764 RESID 285 (Q): C 178.000 178.000 177.656 0.344 RESID 285 (Q): CA 59.500 59.500 58.797 0.703 RESID 285 (Q): CB 29.080 29.080 28.609 0.471 RESID 285 (Q): H 8.581 8.581 7.806 0.775 RESID 286 (N): N 112.600 112.600 113.985 -1.385 RESID 286 (N): C 174.500 174.500 173.859 0.641 RESID 286 (N): CA 53.160 53.160 52.726 0.434 RESID 286 (N): CB 38.390 38.390 38.740 -0.350 RESID 286 (N): H 8.117 8.117 8.047 0.070 RESID 287 (K): N 118.500 118.500 115.928 2.572 RESID 287 (K): C 176.100 176.100 176.218 -0.118 RESID 287 (K): CA 57.540 57.540 57.303 0.237 RESID 287 (K): CB 28.570 28.570 29.550 -0.980 RESID 287 (K): H 7.724 7.724 7.688 0.036 RESID 288 (Q): N 119.700 119.700 117.143 2.557 RESID 288 (Q): C 173.700 173.700 174.076 -0.376 RESID 288 (Q): CA 52.970 52.970 54.827 -1.857 RESID 288 (Q): CB 28.640 28.640 28.958 -0.318 RESID 288 (Q): H 8.895 8.895 8.426 0.469 RESID 289 (V): N 119.200 119.200 118.908 0.292 RESID 289 (V): C 175.100 175.100 175.095 0.005 RESID 289 (V): CA 61.600 61.600 60.970 0.630 RESID 289 (V): CB 32.610 32.610 34.252 -1.642 RESID 289 (V): H 6.246 6.246 6.916 -0.670 RESID 290 (Y): N 125.700 125.700 125.454 0.246 RESID 290 (Y): C 174.100 174.100 174.359 -0.259 RESID 290 (Y): CA 56.830 56.830 56.630 0.200 RESID 290 (Y): CB 40.950 40.950 42.784 -1.834 RESID 290 (Y): H 8.682 8.682 9.048 -0.366 RESID 291 (A): N 126.900 126.900 122.018 4.882 RESID 291 (A): C 178.300 178.300 176.752 1.548 RESID 291 (A): CA 51.560 51.560 50.389 1.171 RESID 291 (A): CB 19.670 19.670 21.259 -1.589 RESID 291 (A): H 9.057 9.057 8.652 0.405 RESID 292 (L): N 120.800 120.800 119.841 0.959 RESID 292 (L): C 175.500 175.500 176.229 -0.729 RESID 292 (L): CA 54.880 54.880 54.251 0.629 RESID 292 (L): CB 42.490 42.490 42.274 0.216 RESID 292 (L): H 8.342 8.342 8.931 -0.589 RESID 293 (G): N 107.500 107.500 103.832 3.668 RESID 293 (G): C 177.600 177.600 174.085 3.515 RESID 293 (G): CA 45.110 45.110 44.424 0.686 RESID 293 (G): H 7.973 7.973 7.382 0.591 RESID 294 (T): N 117.800 117.800 116.759 1.041 RESID 294 (T): C 176.400 176.400 176.023 0.377 RESID 294 (T): CA 65.260 65.260 65.266 -0.006 RESID 294 (T): CB 68.310 68.310 69.165 -0.855 RESID 294 (T): H 8.808 8.808 8.573 0.235 RESID 295 (E): N 122.100 122.100 119.903 2.197 RESID 295 (E): C 177.700 177.700 176.602 1.098 RESID 295 (E): CA 58.540 58.540 58.330 0.210 RESID 295 (E): CB 29.010 29.010 28.775 0.235 RESID 295 (E): H 10.380 10.380 8.845 1.535 RESID 296 (T): N 103.000 103.000 108.615 -5.615 RESID 296 (T): C 173.600 173.600 174.326 -0.726 RESID 296 (T): CA 62.320 62.320 61.260 1.060 RESID 296 (T): CB 69.170 69.170 67.781 1.389 RESID 296 (T): H 7.062 7.062 7.915 -0.853 RESID 297 (F): N 121.500 121.500 123.006 -1.506 RESID 297 (F): C 174.500 174.500 175.869 -1.369 RESID 297 (F): CA 61.700 61.700 61.061 0.639 RESID 297 (F): CB 39.640 39.640 39.781 -0.141 RESID 297 (F): H 8.108 8.108 7.719 0.389 RESID 298 (R): N 116.800 116.800 119.823 -3.023 RESID 298 (R): C 176.000 176.000 175.116 0.884 RESID 298 (R): CA 54.160 54.160 55.815 -1.655 RESID 298 (R): CB 32.460 32.460 31.102 1.357 RESID 298 (R): H 7.552 7.552 8.272 -0.720 RESID 299 (L): N 125.500 125.500 126.325 -0.825 RESID 299 (L): C 174.800 174.800 174.663 0.137 RESID 299 (L): CA 54.300 54.300 53.929 0.371 RESID 299 (L): CB 41.670 41.670 44.050 -2.380 RESID 299 (L): H 8.903 8.903 8.435 0.468 RESID 300 (D): N 124.600 124.600 124.306 0.294 RESID 300 (D): C 173.400 173.400 175.586 -2.186 RESID 300 (D): CA 51.880 51.880 53.267 -1.387 RESID 300 (D): CB 43.230 43.230 42.420 0.810 RESID 300 (D): H 7.735 7.735 8.773 -1.038 RESID 301 (Y): N 118.100 118.100 121.485 -3.385 RESID 301 (Y): C 175.300 175.300 176.201 -0.901 RESID 301 (Y): CA 61.650 61.650 63.326 -1.676 RESID 301 (Y): CB 38.740 38.740 38.705 0.035 RESID 301 (Y): H 7.943 7.943 9.006 -1.063 RESID 302 (Y): N 112.300 112.300 115.563 -3.263 RESID 302 (Y): C 180.800 180.800 177.668 3.132 RESID 302 (Y): CA 61.970 61.970 60.969 1.001 RESID 302 (Y): CB 37.990 37.990 38.003 -0.013 RESID 302 (Y): H 7.309 7.309 8.118 -0.809 RESID 303 (S): N 119.100 119.100 115.626 3.474 RESID 303 (S): C 176.300 176.300 176.508 -0.208 RESID 303 (S): CA 60.690 60.690 61.526 -0.836 RESID 303 (S): CB 63.180 63.180 62.679 0.501 RESID 303 (S): H 9.411 9.411 9.453 -0.042 RESID 304 (A): N 126.900 126.900 124.939 1.961 RESID 304 (A): C 180.400 180.400 179.367 1.033 RESID 304 (A): CA 56.000 56.000 55.290 0.710 RESID 304 (A): CB 18.040 18.040 17.833 0.207 RESID 304 (A): H 8.860 8.860 7.937 0.923 RESID 305 (M): N 116.600 116.600 118.005 -1.405 RESID 305 (M): C 179.300 179.300 178.823 0.477 RESID 305 (M): CA 57.880 57.880 59.546 -1.666 RESID 305 (M): CB 31.350 31.350 32.143 -0.793 RESID 305 (M): H 7.346 7.346 7.599 -0.253 RESID 306 (Q): N 119.300 119.300 118.814 0.486 RESID 306 (Q): C 179.000 179.000 178.841 0.159 RESID 306 (Q): CA 59.410 59.410 58.884 0.526 RESID 306 (Q): CB 28.450 28.450 28.825 -0.374 RESID 306 (Q): H 7.633 7.633 7.765 -0.132 RESID 308 (L): C 178.700 178.700 178.493 0.207 RESID 308 (L): CA 58.690 58.690 58.428 0.262 RESID 308 (L): CB 41.790 41.790 41.383 0.407 RESID 309 (D): N 119.100 119.100 119.057 0.043 RESID 309 (D): C 179.600 179.600 178.881 0.719 RESID 309 (D): CA 57.830 57.830 57.545 0.285 RESID 309 (D): CB 40.820 40.820 40.334 0.486 RESID 309 (D): H 7.984 7.984 8.024 -0.040 RESID 310 (R): N 121.700 121.700 120.620 1.080 RESID 310 (R): C 178.900 178.900 178.732 0.168 RESID 310 (R): CA 58.590 58.590 59.194 -0.604 RESID 310 (R): CB 29.820 29.820 30.150 -0.330 RESID 310 (R): H 8.463 8.463 7.601 0.862 RESID 311 (L): N 119.200 119.200 119.897 -0.697 RESID 311 (L): C 178.800 178.800 178.718 0.082 RESID 311 (L): CA 58.380 58.380 58.106 0.274 RESID 311 (L): CB 42.340 42.340 41.844 0.496 RESID 311 (L): H 8.489 8.489 8.332 0.157 RESID 312 (K): N 116.500 116.500 118.731 -2.231 RESID 312 (K): C 178.000 178.000 178.402 -0.402 RESID 312 (K): CA 59.250 59.250 59.174 0.076 RESID 312 (K): CB 32.440 32.440 32.491 -0.051 RESID 312 (K): H 7.955 7.955 8.175 -0.220 RESID 313 (A): N 119.500 119.500 120.792 -1.292 RESID 313 (A): C 180.000 180.000 178.640 1.360 RESID 313 (A): CA 53.920 53.920 53.284 0.636 RESID 313 (A): CB 18.800 18.800 19.253 -0.453 RESID 313 (A): H 7.427 7.427 7.741 -0.314 RESID 314 (L): N 119.500 119.500 119.171 0.329 RESID 314 (L): C 177.400 177.400 176.454 0.946 RESID 314 (L): CA 56.770 56.770 57.234 -0.464 RESID 314 (L): CB 43.730 43.730 42.352 1.378 RESID 314 (L): H 7.431 7.431 8.112 -0.681 N HA C CA CB H RESID 26 (W): -3.452 ----- -0.867 0.370 3.259 0.178 RESID 27 (P): ----- ----- -0.004 -0.297 4.941 ----- RESID 28 (R): -3.827 ----- -1.394 0.733 0.754 0.066 RESID 29 (Q): -0.836 ----- 0.590 -1.250 1.446 -0.080 RESID 30 (I): -1.822 ----- 0.581 -0.936 -0.467 1.083 RESID 31 (T): 3.181 ----- 0.736 -1.343 1.056 0.586 RESID 32 (D): 5.637 ----- 1.415 0.817 -0.488 1.404 RESID 33 (S): -4.428 ----- -0.566 0.402 -0.383 -0.217 RESID 34 (R): -2.390 ----- -0.633 -3.662 0.180 0.473 RESID 35 (G): 5.157 ----- -2.250 -0.505 ----- -0.759 RESID 36 (T): 0.143 ----- 0.783 0.028 -0.070 0.583 RESID 37 (H): 0.485 ----- 0.723 -1.278 -2.002 0.358 RESID 38 (T): 4.374 ----- 1.386 2.122 -1.243 1.596 RESID 39 (L): 7.240 ----- 0.091 0.521 -0.936 0.456 RESID 40 (E): -1.561 ----- -0.320 0.287 0.486 0.135 RESID 41 (S): -1.842 ----- -1.488 -0.891 0.596 -0.157 RESID 42 (Q): 3.304 ----- -0.150 -2.030 0.559 -1.268 RESID 43 (P): ----- ----- -0.251 0.741 0.103 ----- RESID 44 (Q): 2.573 ----- -0.604 -1.535 2.824 2.597 RESID 45 (R): 8.331 ----- 0.503 0.105 -0.105 2.468 RESID 47 (V): ----- ----- 0.341 -0.268 -0.145 ----- RESID 48 (S): -1.868 ----- 1.885 -1.876 -1.113 -0.626 RESID 49 (T): 4.229 ----- -2.912 0.975 -0.364 -0.357 RESID 50 (S): -0.474 ----- -0.581 -2.080 -0.044 -0.113 RESID 51 (V): 4.909 ----- -2.827 -0.339 -0.121 0.163 RESID 52 (T): 0.527 ----- 3.188 0.910 0.250 -0.149 RESID 53 (L): 1.136 ----- 0.436 -0.697 0.819 -0.501 RESID 54 (T): 1.772 ----- -1.737 -0.670 ----- -0.093 RESID 55 (G): -3.818 ----- -0.298 0.252 ----- -1.285 RESID 56 (S): -0.727 ----- -1.126 1.655 1.950 -1.254 RESID 58 (L): ----- ----- 1.776 -0.274 -0.115 ----- RESID 59 (A): -0.797 ----- -0.293 0.735 -0.305 -0.331 RESID 60 (I): ----- ----- -1.547 0.158 0.436 ----- RESID 61 (D): -2.463 ----- 0.240 0.045 -0.049 -0.009 RESID 62 (A): -3.197 ----- 2.692 -0.834 -1.637 0.108 RESID 63 (P): ----- ----- -2.110 0.612 -4.698 ----- RESID 64 (V): 3.746 ----- -0.909 -1.450 -0.782 0.436 RESID 65 (I): -4.365 ----- 1.539 -3.012 1.269 0.272 RESID 66 (A): 4.264 ----- -0.099 0.654 1.483 -0.440 RESID 67 (S): -5.074 ----- 2.298 -2.061 -2.420 0.235 RESID 68 (G): 5.599 ----- -1.618 2.040 ----- -1.042 RESID 69 (A): -3.797 ----- 2.793 -1.213 2.058 -0.761 RESID 70 (T): 6.246 ----- -2.322 -2.694 0.982 1.066 RESID 71 (T): -4.956 ----- -0.439 0.135 1.530 -0.779 RESID 72 (P): ----- ----- 0.973 -0.205 0.729 ----- RESID 73 (N): -4.401 ----- -1.630 0.718 -1.441 -0.696 RESID 74 (N): ----- ----- -1.207 4.989 0.348 ----- RESID 75 (R): -6.344 ----- -0.156 1.071 1.071 -0.286 RESID 76 (V): -10.216 ----- 0.039 -2.946 2.027 -0.830 RESID 77 (A): 5.811 ----- -1.067 -1.036 5.126 0.708 RESID 78 (D): 1.781 ----- 2.207 -0.930 0.369 0.430 RESID 79 (D): 0.847 ----- 0.289 1.090 0.892 -0.148 RESID 80 (Q): -4.331 ----- -1.173 -1.504 2.412 -0.182 RESID 81 (G): 0.018 ----- 0.855 0.960 ----- -0.639 RESID 82 (F): 0.615 ----- -0.441 -4.239 -2.619 0.307 RESID 83 (L): ----- ----- 0.950 0.331 -3.483 ----- RESID 84 (R): 0.324 ----- 0.775 3.487 1.647 -0.689 RESID 85 (Q): -2.612 ----- -2.692 0.216 -3.168 1.873 RESID 86 (W): -6.367 ----- -1.843 -5.124 -2.157 -1.959 RESID 87 (S): 3.892 ----- 1.465 0.489 ----- -1.272 RESID 88 (K): -3.905 ----- 0.167 0.466 -0.088 0.951 RESID 89 (V): 6.388 ----- 0.808 0.107 0.507 -0.609 RESID 90 (A): -0.465 ----- 1.057 1.331 1.304 0.656 RESID 91 (K): -0.427 ----- 3.020 0.992 -0.020 -0.290 RESID 92 (E): 5.060 ----- 1.504 2.277 -0.664 0.478 RESID 93 (R): -3.129 ----- 0.323 0.791 -1.535 -0.269 RESID 94 (K): 1.806 ----- 0.683 -0.660 -1.419 -0.728 RESID 95 (L): -1.051 ----- 0.307 0.733 1.021 0.064 RESID 96 (Q): 0.456 ----- -0.953 0.629 0.329 -0.872 RESID 97 (R): 6.453 ----- 0.587 -1.021 1.622 0.504 RESID 98 (L): 3.501 ----- -0.404 2.432 3.338 -0.418 RESID 99 (Y): -1.955 ----- -1.393 -0.834 -0.983 -1.350 RESID 100 (I): -6.191 ----- -0.347 -1.831 3.560 0.092 RESID 101 (G): 0.887 ----- -0.705 2.204 ----- -0.248 RESID 102 (E): 10.915 ----- -0.770 0.491 2.040 0.291 RESID 103 (P): ----- ----- -0.829 -1.375 -0.090 ----- RESID 104 (S): -5.231 ----- 0.152 -3.154 -0.053 -2.561 RESID 105 (A): 0.227 ----- 0.349 0.746 -0.904 0.333 RESID 106 (E): 0.381 ----- 0.443 1.243 -0.474 0.141 RESID 107 (A): -0.487 ----- 0.270 -0.337 0.768 -0.127 RESID 108 (V): -2.268 ----- -0.809 1.167 0.106 -0.474 RESID 109 (A): -1.644 ----- 1.868 0.537 -0.100 0.120 RESID 110 (A): -0.746 ----- 0.258 -0.248 -0.027 -0.324 RESID 111 (Q): -1.082 ----- -1.064 0.904 -0.134 -0.289 RESID 112 (M): -6.125 ----- 0.065 0.340 -1.449 -0.064 RESID 113 (P): ----- ----- 0.455 0.228 0.415 ----- RESID 114 (D): -2.205 ----- -0.088 -2.128 -1.794 0.614 RESID 115 (L): ----- ----- 0.615 -1.399 ----- ----- RESID 116 (I): -2.818 ----- ----- -0.109 ----- 1.325 RESID 118 (I): ----- ----- -0.974 0.436 0.990 ----- RESID 119 (S): 0.457 ----- 0.601 -0.614 0.673 1.039 RESID 120 (A): 1.405 ----- -0.379 0.054 1.371 -0.532 RESID 121 (T): -3.711 ----- -0.070 -1.721 1.961 -0.235 RESID 122 (G): -6.006 ----- 3.062 -0.598 ----- 0.103 RESID 123 (G): ----- ----- -0.213 1.048 ----- ----- RESID 124 (D): -2.420 ----- 0.969 -0.594 0.063 0.825 RESID 125 (S): -4.129 ----- 1.654 0.045 0.142 -1.105 RESID 126 (A): 4.742 ----- -1.953 -2.348 -2.238 0.255 RESID 127 (L): -0.018 ----- 0.543 1.474 1.235 -0.797 RESID 128 (A): 3.402 ----- 0.738 0.810 -0.493 1.290 RESID 129 (L): 0.579 ----- -0.889 -1.262 -0.376 0.365 RESID 130 (Y): -0.914 ----- 0.305 1.522 1.051 -1.094 RESID 131 (D): 1.175 ----- -0.101 0.603 0.301 0.912 RESID 132 (Q): -0.998 ----- 0.277 0.187 0.575 -0.142 RESID 133 (L): -0.375 ----- -0.716 0.301 -0.810 -0.471 RESID 134 (S): -3.193 ----- -0.497 0.324 0.799 -0.337 RESID 135 (T): -5.241 ----- -1.171 -2.040 0.657 -0.630 RESID 136 (I): 3.965 ----- 0.255 -0.051 0.348 0.416 RESID 137 (A): 1.966 ----- -1.620 -0.143 -0.138 -0.480 RESID 138 (P): ----- ----- -1.516 1.204 0.036 ----- RESID 139 (T): 1.927 ----- -0.095 -1.571 1.865 -0.174 RESID 140 (L): ----- ----- 0.594 -0.785 0.707 ----- RESID 141 (I): -2.396 ----- 1.121 -1.029 1.136 1.431 RESID 142 (I): 1.915 ----- 0.223 -1.959 -2.266 0.169 RESID 143 (N): 4.987 ----- 0.461 -1.857 0.053 0.729 RESID 144 (Y): -5.522 ----- 1.782 -3.547 -0.261 0.167 RESID 145 (D): 0.811 ----- 1.739 -0.180 3.345 0.435 RESID 146 (D): 3.947 ----- -0.096 -0.363 -1.620 -1.058 RESID 147 (K): -5.673 ----- -0.264 -1.530 -1.870 -0.539 RESID 148 (S): -0.408 ----- -0.390 -0.057 0.725 0.208 RESID 149 (W): 1.716 ----- 2.070 1.312 -0.724 -0.131 RESID 150 (Q): 3.228 ----- 0.251 3.373 -1.193 1.611 RESID 151 (S): 1.121 ----- 0.585 0.585 0.702 0.085 RESID 152 (L): 2.525 ----- 0.561 0.392 0.297 0.051 RESID 153 (L): 0.577 ----- 1.036 1.427 -0.100 0.944 RESID 154 (T): 3.507 ----- 0.307 1.311 0.532 0.141 RESID 155 (Q): 3.474 ----- 1.183 1.361 0.260 0.316 RESID 156 (L): ----- ----- 1.635 0.615 -0.132 ----- RESID 157 (G): 5.825 ----- -0.556 1.794 ----- 1.208 RESID 158 (E): 4.800 ----- 0.619 1.234 0.309 0.023 RESID 160 (T): ----- ----- 2.289 -1.151 2.657 ----- RESID 161 (G): -0.363 ----- 0.404 1.262 ----- -0.881 RESID 162 (H): 4.718 ----- -2.222 -0.558 -2.932 0.671 RESID 163 (E): 1.788 ----- 2.319 1.401 -0.417 1.540 RESID 164 (K): 0.249 ----- -0.091 -0.459 0.309 0.399 RESID 165 (Q): 2.168 ----- 0.661 2.020 -0.265 -0.479 RESID 166 (A): -1.324 ----- -1.426 1.314 0.225 -0.213 RESID 167 (A): -3.044 ----- 1.881 -0.158 -0.309 -1.105 RESID 168 (E): 1.528 ----- 0.469 -0.002 0.451 0.314 RESID 170 (I): ----- ----- 0.005 1.584 1.354 ----- RESID 171 (A): -2.508 ----- 1.366 -0.355 0.151 -0.782 RESID 172 (Q): 2.568 ----- 0.616 0.700 -0.258 0.633 RESID 173 (F): -0.099 ----- -1.014 1.600 0.361 -0.296 RESID 174 (D): 0.864 ----- 1.412 0.543 -0.097 -0.272 RESID 175 (K): 1.073 ----- 1.163 -0.014 0.313 -0.082 RESID 176 (Q): 2.104 ----- 0.769 -0.477 -0.535 0.338 RESID 177 (L): 6.003 ----- -0.271 2.658 -0.161 1.202 RESID 178 (A): -1.076 ----- 1.376 0.191 0.094 -0.551 RESID 179 (A): -0.809 ----- 0.737 0.341 -0.408 0.060 RESID 180 (A): 0.057 ----- 0.088 0.760 -0.301 0.188 RESID 181 (K): 0.171 ----- -0.101 0.629 0.698 0.027 RESID 182 (E): -2.082 ----- -0.111 0.757 1.105 -0.524 RESID 183 (Q): -0.687 ----- 1.035 0.245 0.410 -0.180 RESID 184 (I): 1.931 ----- 0.959 3.252 0.339 0.296 RESID 185 (K): 4.745 ----- -0.029 -0.564 -2.906 0.830 RESID 186 (L): -1.062 ----- -0.204 2.359 0.380 -0.432 RESID 188 (P): ----- ----- -1.455 1.474 1.004 ----- RESID 189 (Q): 0.190 ----- 1.882 -2.393 0.953 -0.164 RESID 190 (P): ----- ----- -0.046 0.338 2.645 ----- RESID 191 (V): -9.112 ----- 0.325 0.225 0.326 0.650 RESID 192 (T): 7.334 ----- 0.216 3.505 0.297 0.148 RESID 193 (A): 9.894 ----- -0.002 -0.548 -0.291 1.609 RESID 194 (I): -2.092 ----- 2.903 -0.462 1.814 0.747 RESID 195 (V): -4.277 ----- 2.134 1.810 0.143 -0.166 RESID 196 (Y): 2.719 ----- 0.557 -0.407 1.075 1.008 RESID 197 (T): 1.491 ----- 0.934 0.118 -3.009 0.428 RESID 198 (A): -0.293 ----- 1.170 1.167 0.081 -0.330 RESID 199 (A): -4.840 ----- -1.003 -0.510 0.413 0.293 RESID 200 (A): -3.827 ----- -0.644 -0.759 1.319 -1.462 RESID 201 (H): 0.335 ----- -0.499 0.373 -0.448 -0.222 RESID 202 (S): -3.642 ----- -0.352 -0.910 -0.251 -0.664 RESID 203 (A): -2.733 ----- -0.443 -0.651 2.222 0.387 RESID 204 (N): 0.086 ----- -0.151 -0.557 -2.102 0.111 RESID 205 (L): 5.509 ----- 0.135 0.861 1.504 1.654 RESID 206 (W): 1.653 ----- 0.654 -0.743 -1.142 0.630 RESID 207 (T): 1.822 ----- 2.822 0.878 -1.843 -0.109 RESID 208 (P): ----- ----- -0.848 0.733 -0.215 ----- RESID 209 (E): -2.768 ----- 0.291 0.068 -0.389 -0.359 RESID 210 (S): 0.715 ----- -1.622 -1.069 2.844 0.223 RESID 211 (A): -2.138 ----- 0.753 0.103 -0.227 -0.146 RESID 212 (Q): 0.562 ----- -0.916 2.439 -0.328 0.016 RESID 213 (G): -0.141 ----- -0.917 0.693 ----- -0.248 RESID 214 (Q): -0.764 ----- 0.615 0.295 0.418 0.431 RESID 215 (M): -1.425 ----- -0.376 0.113 -0.799 -0.312 RESID 216 (L): -2.996 ----- 0.869 0.513 -1.446 -0.453 RESID 217 (E): 1.330 ----- 2.943 1.276 -0.267 0.213 RESID 218 (Q): 5.215 ----- -0.760 0.981 -0.264 0.543 RESID 219 (L): 0.692 ----- -2.260 -1.346 1.454 -0.326 RESID 220 (G): 1.928 ----- 1.785 0.063 ----- -0.388 RESID 221 (F): 0.157 ----- 0.857 1.928 -3.855 0.230 RESID 222 (T): 1.572 ----- 0.515 0.583 1.618 0.392 RESID 223 (L): 1.183 ----- 1.652 1.355 -1.142 1.069 RESID 224 (A): -1.270 ----- 1.546 1.480 -2.189 0.977 RESID 225 (K): 2.193 ----- 0.610 0.022 0.173 0.237 RESID 226 (L): -1.813 ----- -0.108 -0.522 0.475 0.113 RESID 227 (P): ----- ----- -0.274 -0.028 0.173 ----- RESID 228 (A): 0.059 ----- 1.015 0.704 0.009 -0.101 RESID 229 (G): 0.211 ----- -0.991 0.607 ----- 0.469 RESID 230 (L): -1.239 ----- -1.450 0.104 0.943 -0.425 RESID 231 (N): -0.450 ----- -0.600 -2.461 0.960 0.192 RESID 232 (A): 4.921 ----- 0.031 1.409 1.330 0.179 RESID 233 (S): -0.017 ----- -0.478 -1.673 0.953 -0.274 RESID 234 (Q): 1.430 ----- 0.724 0.182 -1.340 0.448 RESID 235 (S): -0.986 ----- 0.242 0.005 1.612 -0.210 RESID 236 (Q): -4.842 ----- 1.260 1.122 1.635 -0.491 RESID 237 (G): 1.378 ----- 1.137 0.250 ----- 0.806 RESID 238 (K): -0.962 ----- 1.112 0.471 0.562 -0.388 RESID 239 (R): -4.104 ----- ----- 0.188 0.654 -0.346 RESID 240 (H): ----- ----- -1.723 -2.895 -0.309 ----- RESID 241 (D): 0.578 ----- -1.566 -0.484 -0.666 0.662 RESID 242 (I): 0.177 ----- 1.205 -0.312 2.756 -0.325 RESID 243 (I): -1.057 ----- 1.029 -0.296 2.913 0.226 RESID 244 (Q): 0.860 ----- 1.045 1.529 0.025 0.171 RESID 245 (L): 1.993 ----- -0.409 0.677 0.246 0.297 RESID 246 (G): 4.634 ----- -0.123 -0.448 ----- -0.019 RESID 247 (G): -0.159 ----- 1.821 3.143 ----- 0.929 RESID 248 (E): 2.504 ----- 0.779 1.056 0.107 0.455 RESID 249 (N): 0.234 ----- -0.498 -0.158 0.645 0.328 RESID 250 (L): 1.186 ----- -1.003 1.785 0.749 -0.689 RESID 251 (A): -5.003 ----- 1.333 0.680 -0.427 -0.171 RESID 252 (A): -1.175 ----- 0.778 1.595 0.014 -1.034 RESID 253 (G): -7.303 ----- -2.094 0.361 ----- 0.044 RESID 254 (L): 1.947 ----- -2.292 -1.841 -3.012 -0.595 RESID 255 (N): -7.715 ----- 0.350 -0.594 -1.220 -1.142 RESID 256 (G): 2.527 ----- -2.352 0.437 ----- -0.701 RESID 257 (E): 1.348 ----- 1.359 1.319 -0.842 -0.187 RESID 258 (S): -6.251 ----- 0.063 -0.534 2.614 -0.838 RESID 259 (L): -2.621 ----- -2.589 -0.739 3.875 0.935 RESID 260 (F): 0.619 ----- -1.827 1.489 1.142 1.147 RESID 261 (L): 3.714 ----- 0.511 0.826 -4.034 0.858 RESID 262 (F): 1.519 ----- -0.310 1.890 1.447 0.234 RESID 263 (A): -2.200 ----- -1.726 0.980 2.897 0.644 RESID 264 (G): -7.041 ----- -1.628 0.481 ----- -1.130 RESID 265 (D): -0.381 ----- 0.035 -1.107 0.577 0.933 RESID 266 (Q): -1.211 ----- 0.142 -0.449 -0.158 -0.328 RESID 267 (K): -1.079 ----- 2.310 -0.167 -0.347 -0.043 RESID 268 (D): 1.942 ----- -0.939 1.001 1.300 -0.478 RESID 269 (A): 0.221 ----- 0.580 0.715 -0.703 -0.253 RESID 270 (D): 0.215 ----- 2.790 1.268 -0.385 0.773 RESID 271 (A): 3.001 ----- 1.480 1.477 -1.017 0.549 RESID 272 (I): -120.463 ----- 1.344 -0.780 -2.418 -1.067 RESID 273 (Y): -0.684 ----- 0.219 2.815 1.940 0.215 RESID 274 (A): -3.256 ----- 0.018 -0.976 0.168 -0.336 RESID 275 (N): 1.667 ----- 1.692 -0.342 1.564 -0.757 RESID 276 (P): ----- ----- 0.409 -0.272 0.400 ----- RESID 277 (L): -0.712 ----- -0.898 -0.921 0.219 -0.150 RESID 278 (L): -1.482 ----- -1.277 -1.747 -0.351 -0.194 RESID 279 (A): -4.504 ----- -0.108 0.719 1.107 -1.242 RESID 280 (H): -3.683 ----- 0.292 -0.888 0.901 0.151 RESID 281 (L): 1.586 ----- 0.429 0.374 -1.452 -0.156 RESID 282 (P): ----- ----- -0.183 0.361 0.430 ----- RESID 283 (A): -3.210 ----- -0.851 0.437 1.306 -0.456 RESID 284 (V): -3.286 ----- 1.073 -0.248 1.740 -1.120 RESID 285 (Q): 0.764 ----- 0.344 0.703 0.471 0.775 RESID 286 (N): -1.385 ----- 0.641 0.434 -0.350 0.070 RESID 287 (K): 2.572 ----- -0.118 0.237 -0.980 0.036 RESID 288 (Q): 2.557 ----- -0.376 -1.857 -0.318 0.469 RESID 289 (V): 0.292 ----- 0.005 0.630 -1.642 -0.670 RESID 290 (Y): 0.246 ----- -0.259 0.200 -1.834 -0.366 RESID 291 (A): 4.882 ----- 1.548 1.171 -1.589 0.405 RESID 292 (L): 0.959 ----- -0.729 0.629 0.216 -0.589 RESID 293 (G): 3.668 ----- 3.515 0.686 ----- 0.591 RESID 294 (T): 1.041 ----- 0.377 -0.006 -0.855 0.235 RESID 295 (E): 2.197 ----- 1.098 0.210 0.235 1.535 RESID 296 (T): -5.615 ----- -0.726 1.060 1.389 -0.853 RESID 297 (F): -1.506 ----- -1.369 0.639 -0.141 0.389 RESID 298 (R): -3.023 ----- 0.884 -1.655 1.357 -0.720 RESID 299 (L): -0.825 ----- 0.137 0.371 -2.380 0.468 RESID 300 (D): 0.294 ----- -2.186 -1.387 0.810 -1.038 RESID 301 (Y): -3.385 ----- -0.901 -1.676 0.035 -1.063 RESID 302 (Y): -3.263 ----- 3.132 1.001 -0.013 -0.809 RESID 303 (S): 3.474 ----- -0.208 -0.836 0.501 -0.042 RESID 304 (A): 1.961 ----- 1.033 0.710 0.207 0.923 RESID 305 (M): -1.405 ----- 0.477 -1.666 -0.793 -0.253 RESID 306 (Q): 0.486 ----- 0.159 0.526 -0.374 -0.132 RESID 308 (L): ----- ----- 0.207 0.262 0.407 ----- RESID 309 (D): 0.043 ----- 0.719 0.285 0.486 -0.040 RESID 310 (R): 1.080 ----- 0.168 -0.604 -0.330 0.862 RESID 311 (L): -0.697 ----- 0.082 0.274 0.496 0.157 RESID 312 (K): -2.231 ----- -0.402 0.076 -0.051 -0.220 RESID 313 (A): -1.292 ----- 1.360 0.636 -0.453 -0.314 RESID 314 (L): 0.329 ----- 0.946 -0.464 1.378 -0.681 DATA CS_STAT_INFO N RMS: 8.227 ppm Count: 256 Average Difference: 0.475 +/- 8.229 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.222 ppm Count: 281 Average Difference: -0.160 +/- 1.214 ppm DATA CS_STAT_INFO CA RMS: 1.330 ppm Count: 283 Average Difference: -0.104 +/- 1.328 ppm DATA CS_STAT_INFO CB RMS: 1.423 ppm Count: 260 Average Difference: -0.161 +/- 1.417 ppm DATA CS_STAT_INFO HN RMS: 0.717 ppm Count: 256 Average Difference: -0.021 +/- 0.718 ppm ############################################################################ For conformer 10: Atom Original Corrected SPARTA Difference RESID 25 (D): N 120.600 120.600 120.312 0.288 RESID 25 (D): C 174.400 174.400 175.365 -0.965 RESID 25 (D): CA 55.230 55.230 53.196 2.034 RESID 25 (D): CB 41.340 41.340 41.707 -0.367 RESID 25 (D): H 8.275 8.275 8.100 0.175 RESID 26 (W): N 120.100 120.100 123.481 -3.381 RESID 26 (W): C 174.200 174.200 175.075 -0.875 RESID 26 (W): CA 55.330 55.330 54.920 0.410 RESID 26 (W): CB 31.090 31.090 27.805 3.285 RESID 26 (W): H 7.788 7.788 7.695 0.093 RESID 27 (P): C 175.900 175.900 175.904 -0.004 RESID 27 (P): CA 62.800 62.800 63.103 -0.303 RESID 27 (P): CB 37.260 37.260 32.320 4.940 RESID 28 (R): N 118.000 118.000 121.871 -3.871 RESID 28 (R): C 173.700 173.700 175.096 -1.396 RESID 28 (R): CA 55.160 55.160 54.429 0.731 RESID 28 (R): CB 33.430 33.430 32.669 0.761 RESID 28 (R): H 8.686 8.686 8.613 0.073 RESID 29 (Q): N 120.800 120.800 121.643 -0.843 RESID 29 (Q): C 175.500 175.500 174.914 0.586 RESID 29 (Q): CA 54.780 54.780 56.041 -1.261 RESID 29 (Q): CB 30.700 30.700 29.255 1.445 RESID 29 (Q): H 8.506 8.506 8.581 -0.075 RESID 30 (I): N 124.300 124.300 126.053 -1.753 RESID 30 (I): C 175.700 175.700 175.122 0.578 RESID 30 (I): CA 58.520 58.520 59.441 -0.921 RESID 30 (I): CB 40.680 40.680 41.198 -0.518 RESID 30 (I): H 9.002 9.002 7.925 1.077 RESID 31 (T): N 125.200 125.200 121.963 3.237 RESID 31 (T): C 174.400 174.400 173.672 0.728 RESID 31 (T): CA 62.150 62.150 63.460 -1.310 RESID 31 (T): CB 70.640 70.640 69.589 1.051 RESID 31 (T): H 8.989 8.989 8.399 0.590 RESID 32 (D): N 129.500 129.500 123.760 5.740 RESID 32 (D): C 177.400 177.400 175.986 1.414 RESID 32 (D): CA 52.630 52.630 51.844 0.786 RESID 32 (D): CB 42.950 42.950 43.421 -0.471 RESID 32 (D): H 9.389 9.389 7.980 1.409 RESID 33 (S): N 111.900 111.900 116.349 -4.449 RESID 33 (S): C 175.600 175.600 176.161 -0.561 RESID 33 (S): CA 60.920 60.920 60.538 0.382 RESID 33 (S): CB 63.430 63.430 63.805 -0.375 RESID 33 (S): H 8.075 8.075 8.296 -0.221 RESID 34 (R): N 120.600 120.600 122.984 -2.384 RESID 34 (R): C 176.100 176.100 176.733 -0.633 RESID 34 (R): CA 55.020 55.020 58.681 -3.661 RESID 34 (R): CB 30.850 30.850 30.668 0.182 RESID 34 (R): H 8.433 8.433 7.967 0.466 RESID 35 (G): N 108.900 108.900 103.716 5.184 RESID 35 (G): C 171.200 171.200 173.450 -2.250 RESID 35 (G): CA 45.060 45.060 45.557 -0.497 RESID 35 (G): H 7.837 7.837 8.592 -0.755 RESID 36 (T): N 116.300 116.300 116.155 0.145 RESID 36 (T): C 173.800 173.800 173.017 0.783 RESID 36 (T): CA 62.670 62.670 62.647 0.023 RESID 36 (T): CB 70.000 70.000 70.088 -0.088 RESID 36 (T): H 8.192 8.192 7.610 0.582 RESID 37 (H): N 125.800 125.800 125.313 0.487 RESID 37 (H): C 174.000 174.000 173.279 0.721 RESID 37 (H): CA 54.060 54.060 55.328 -1.268 RESID 37 (H): CB 31.020 31.020 33.053 -2.033 RESID 37 (H): H 8.986 8.986 8.623 0.363 RESID 38 (T): N 121.500 121.500 116.982 4.518 RESID 38 (T): C 174.200 174.200 172.803 1.397 RESID 38 (T): CA 63.190 63.190 61.067 2.123 RESID 38 (T): CB 70.080 70.080 71.332 -1.252 RESID 38 (T): H 9.101 9.101 7.478 1.623 RESID 39 (L): N 129.600 129.600 122.384 7.216 RESID 39 (L): C 176.900 176.900 176.800 0.100 RESID 39 (L): CA 53.990 53.990 53.479 0.511 RESID 39 (L): CB 43.160 43.160 44.077 -0.917 RESID 39 (L): H 9.145 9.145 8.671 0.474 RESID 40 (E): N 124.300 124.300 125.955 -1.655 RESID 40 (E): C 175.600 175.600 175.922 -0.322 RESID 40 (E): CA 59.420 59.420 59.120 0.300 RESID 40 (E): CB 30.710 30.710 30.224 0.486 RESID 40 (E): H 9.164 9.164 9.029 0.135 RESID 41 (S): N 108.300 108.300 110.148 -1.848 RESID 41 (S): C 171.700 171.700 173.189 -1.489 RESID 41 (S): CA 56.270 56.270 57.143 -0.873 RESID 41 (S): CB 65.420 65.420 64.819 0.601 RESID 41 (S): H 7.326 7.326 7.484 -0.158 RESID 42 (Q): N 123.900 123.900 120.613 3.287 RESID 42 (Q): C 174.600 174.600 174.751 -0.151 RESID 42 (Q): CA 53.730 53.730 55.764 -2.034 RESID 42 (Q): CB 28.470 28.470 27.918 0.552 RESID 42 (Q): H 7.339 7.339 8.608 -1.269 RESID 43 (P): C 176.300 176.300 176.642 -0.342 RESID 43 (P): CA 64.080 64.080 63.290 0.790 RESID 43 (P): CB 32.510 32.510 32.418 0.092 RESID 44 (Q): N 125.100 125.100 122.510 2.590 RESID 44 (Q): C 175.400 175.400 176.009 -0.609 RESID 44 (Q): CA 55.780 55.780 57.280 -1.500 RESID 44 (Q): CB 32.660 32.660 29.804 2.856 RESID 44 (Q): H 11.160 11.160 8.525 2.635 RESID 45 (R): N 125.700 125.700 117.419 8.281 RESID 45 (R): C 174.600 174.600 174.106 0.494 RESID 45 (R): CA 55.310 55.310 55.215 0.095 RESID 45 (R): CB 33.070 33.070 33.103 -0.033 RESID 45 (R): H 10.010 10.010 7.550 2.460 RESID 47 (V): C 174.700 174.700 174.367 0.333 RESID 47 (V): CA 60.970 60.970 61.235 -0.265 RESID 47 (V): CB 34.140 34.140 34.293 -0.153 RESID 48 (S): N 118.300 118.300 120.191 -1.891 RESID 48 (S): C 175.500 175.500 173.621 1.879 RESID 48 (S): CA 55.700 55.700 57.558 -1.858 RESID 48 (S): CB 64.750 64.750 65.871 -1.121 RESID 48 (S): H 7.852 7.852 8.501 -0.649 RESID 49 (T): N 116.800 116.800 112.665 4.135 RESID 49 (T): C 171.500 171.500 174.504 -3.004 RESID 49 (T): CA 62.400 62.400 61.472 0.928 RESID 49 (T): CB 69.320 69.320 69.676 -0.356 RESID 49 (T): H 8.283 8.283 8.649 -0.366 RESID 50 (S): N 116.200 116.200 116.744 -0.544 RESID 50 (S): C 174.600 174.600 175.290 -0.690 RESID 50 (S): CA 54.640 54.640 57.028 -2.388 RESID 50 (S): CB 64.000 64.000 64.304 -0.304 RESID 50 (S): H 7.627 7.627 7.700 -0.073 RESID 51 (V): N 134.300 134.300 129.141 5.159 RESID 51 (V): C 175.100 175.100 177.916 -2.816 RESID 51 (V): CA 65.620 65.620 65.748 -0.128 RESID 51 (V): CB 31.790 31.790 31.871 -0.081 RESID 51 (V): H 9.218 9.218 9.124 0.094 RESID 52 (T): N 117.000 117.000 116.834 0.166 RESID 52 (T): C 179.700 179.700 176.527 3.173 RESID 52 (T): CA 67.390 67.390 66.368 1.022 RESID 52 (T): CB 69.130 69.130 68.594 0.536 RESID 52 (T): H 7.841 7.841 7.994 -0.153 RESID 53 (L): N 123.400 123.400 122.277 1.123 RESID 53 (L): C 178.700 178.700 178.407 0.293 RESID 53 (L): CA 57.460 57.460 58.222 -0.762 RESID 53 (L): CB 42.610 42.610 41.809 0.801 RESID 53 (L): H 8.092 8.092 8.626 -0.534 RESID 54 (T): N 117.500 117.500 115.726 1.774 RESID 54 (T): C 174.900 174.900 176.630 -1.730 RESID 54 (T): CA 67.070 67.070 67.727 -0.657 RESID 54 (T): H 8.039 8.039 8.126 -0.087 RESID 55 (G): N 105.500 105.500 109.495 -3.995 RESID 55 (G): C 175.600 175.600 176.081 -0.481 RESID 55 (G): CA 47.260 47.260 47.050 0.210 RESID 55 (G): H 6.591 6.591 7.919 -1.328 RESID 56 (S): N 117.000 117.000 118.000 -1.000 RESID 56 (S): C 175.600 175.600 176.859 -1.259 RESID 56 (S): CA 63.400 63.400 61.556 1.844 RESID 56 (S): CB 65.060 65.060 62.854 2.206 RESID 56 (S): H 6.709 6.709 7.972 -1.263 RESID 58 (L): C 181.200 181.200 179.410 1.790 RESID 58 (L): CA 57.480 57.480 57.747 -0.267 RESID 58 (L): CB 40.810 40.810 40.927 -0.117 RESID 59 (A): N 122.100 122.100 122.868 -0.768 RESID 59 (A): C 178.500 178.500 178.766 -0.266 RESID 59 (A): CA 55.540 55.540 54.796 0.744 RESID 59 (A): CB 18.440 18.440 18.733 -0.293 RESID 59 (A): H 7.797 7.797 8.087 -0.290 RESID 60 (I): C 172.700 172.700 174.252 -1.552 RESID 60 (I): CA 60.390 60.390 60.252 0.138 RESID 60 (I): CB 37.930 37.930 37.478 0.452 RESID 61 (D): N 116.200 116.200 118.649 -2.449 RESID 61 (D): C 174.800 174.800 174.563 0.237 RESID 61 (D): CA 55.850 55.850 55.797 0.053 RESID 61 (D): CB 38.930 38.930 38.953 -0.022 RESID 61 (D): H 7.736 7.736 7.740 -0.004 RESID 62 (A): N 118.900 118.900 122.104 -3.204 RESID 62 (A): C 176.800 176.800 174.093 2.707 RESID 62 (A): CA 50.040 50.040 50.860 -0.820 RESID 62 (A): CB 17.940 17.940 19.612 -1.672 RESID 62 (A): H 7.820 7.820 7.710 0.110 RESID 63 (P): C 173.600 173.600 175.702 -2.102 RESID 63 (P): CA 63.250 63.250 62.615 0.635 RESID 63 (P): CB 27.640 27.640 32.346 -4.706 RESID 64 (V): N 123.100 123.100 119.416 3.684 RESID 64 (V): C 174.800 174.800 175.704 -0.904 RESID 64 (V): CA 58.420 58.420 59.880 -1.460 RESID 64 (V): CB 33.300 33.300 34.048 -0.748 RESID 64 (V): H 8.299 8.299 7.861 0.438 RESID 65 (I): N 122.000 122.000 126.469 -4.469 RESID 65 (I): C 177.100 177.100 175.556 1.544 RESID 65 (I): CA 61.010 61.010 64.028 -3.018 RESID 65 (I): CB 39.480 39.480 38.216 1.264 RESID 65 (I): H 8.589 8.589 8.328 0.261 RESID 66 (A): N 120.700 120.700 116.453 4.247 RESID 66 (A): C 175.100 175.100 175.239 -0.139 RESID 66 (A): CA 51.300 51.300 50.613 0.687 RESID 66 (A): CB 22.980 22.980 21.537 1.443 RESID 66 (A): H 7.246 7.246 7.670 -0.424 RESID 67 (S): N 111.700 111.700 116.772 -5.072 RESID 67 (S): C 176.500 176.500 174.231 2.269 RESID 67 (S): CA 55.230 55.230 57.302 -2.072 RESID 67 (S): CB 65.300 65.300 67.735 -2.435 RESID 67 (S): H 8.561 8.561 8.325 0.236 RESID 68 (G): N 112.900 112.900 107.247 5.653 RESID 68 (G): C 171.000 171.000 172.603 -1.603 RESID 68 (G): CA 46.580 46.580 44.524 2.056 RESID 68 (G): H 7.604 7.604 8.704 -1.100 RESID 69 (A): N 122.300 122.300 125.917 -3.617 RESID 69 (A): C 177.900 177.900 175.167 2.733 RESID 69 (A): CA 51.280 51.280 52.420 -1.140 RESID 69 (A): CB 23.440 23.440 21.371 2.069 RESID 69 (A): H 7.402 7.402 8.222 -0.820 RESID 70 (T): N 119.600 119.600 113.869 5.731 RESID 70 (T): C 171.400 171.400 174.111 -2.711 RESID 70 (T): CA 58.150 58.150 61.275 -3.125 RESID 70 (T): CB 70.880 70.880 69.801 1.079 RESID 70 (T): H 9.171 9.171 8.060 1.111 RESID 71 (T): N 116.500 116.500 121.789 -5.289 RESID 71 (T): C 172.500 172.500 172.911 -0.411 RESID 71 (T): CA 61.680 61.680 61.625 0.055 RESID 71 (T): CB 70.490 70.490 68.943 1.547 RESID 71 (T): H 7.663 7.663 8.443 -0.780 RESID 72 (P): C 177.100 177.100 176.126 0.974 RESID 72 (P): CA 63.390 63.390 63.545 -0.155 RESID 72 (P): CB 32.940 32.940 32.213 0.727 RESID 73 (N): N 115.200 115.200 119.863 -4.663 RESID 73 (N): C 174.600 174.600 176.215 -1.615 RESID 73 (N): CA 54.570 54.570 53.812 0.758 RESID 73 (N): CB 37.020 37.020 38.485 -1.465 RESID 73 (N): H 7.990 7.990 8.697 -0.707 RESID 74 (N): C 175.800 175.800 176.958 -1.158 RESID 74 (N): CA 60.660 60.660 55.645 5.015 RESID 74 (N): CB 38.070 38.070 37.718 0.352 RESID 75 (R): N 114.600 114.600 120.906 -6.306 RESID 75 (R): C 177.400 177.400 177.564 -0.164 RESID 75 (R): CA 59.940 59.940 58.857 1.083 RESID 75 (R): CB 31.110 31.110 30.055 1.055 RESID 75 (R): H 8.049 8.049 8.335 -0.286 RESID 76 (V): N 107.100 107.100 117.394 -10.294 RESID 76 (V): C 176.000 176.000 175.953 0.047 RESID 76 (V): CA 61.110 61.110 64.047 -2.937 RESID 76 (V): CB 33.590 33.590 31.564 2.026 RESID 76 (V): H 7.356 7.356 8.189 -0.833 RESID 77 (A): N 126.900 126.900 121.019 5.881 RESID 77 (A): C 176.500 176.500 177.579 -1.079 RESID 77 (A): CA 51.390 51.390 52.430 -1.040 RESID 77 (A): CB 24.260 24.260 19.143 5.117 RESID 77 (A): H 7.873 7.873 7.155 0.718 RESID 78 (D): N 118.700 118.700 116.878 1.822 RESID 78 (D): C 178.100 178.100 175.883 2.217 RESID 78 (D): CA 51.970 51.970 52.902 -0.932 RESID 78 (D): CB 41.360 41.360 40.986 0.374 RESID 78 (D): H 8.607 8.607 8.174 0.433 RESID 79 (D): N 116.600 116.600 115.720 0.880 RESID 79 (D): C 176.400 176.400 176.115 0.285 RESID 79 (D): CA 56.030 56.030 54.952 1.078 RESID 79 (D): CB 40.100 40.100 39.208 0.892 RESID 79 (D): H 8.258 8.258 8.404 -0.146 RESID 80 (Q): N 117.200 117.200 121.517 -4.317 RESID 80 (Q): C 175.700 175.700 176.880 -1.180 RESID 80 (Q): CA 54.970 54.970 56.493 -1.523 RESID 80 (Q): CB 30.840 30.840 28.439 2.401 RESID 80 (Q): H 8.160 8.160 8.340 -0.180 RESID 81 (G): N 105.300 105.300 105.280 0.020 RESID 81 (G): C 174.200 174.200 173.356 0.844 RESID 81 (G): CA 45.740 45.740 44.784 0.956 RESID 81 (G): H 7.419 7.419 8.059 -0.640 RESID 82 (F): N 121.700 121.700 121.120 0.580 RESID 82 (F): C 175.300 175.300 175.748 -0.448 RESID 82 (F): CA 52.530 52.530 56.772 -4.242 RESID 82 (F): CB 37.430 37.430 40.044 -2.614 RESID 82 (F): H 8.154 8.154 7.858 0.296 RESID 83 (L): C 178.400 178.400 177.454 0.946 RESID 83 (L): CA 55.550 55.550 55.230 0.320 RESID 83 (L): CB 38.480 38.480 41.952 -3.472 RESID 84 (R): N 119.000 119.000 118.654 0.346 RESID 84 (R): C 178.300 178.300 177.518 0.782 RESID 84 (R): CA 60.690 60.690 57.189 3.501 RESID 84 (R): CB 31.530 31.530 29.883 1.647 RESID 84 (R): H 7.746 7.746 8.440 -0.694 RESID 85 (Q): N 116.400 116.400 119.029 -2.629 RESID 85 (Q): C 174.700 174.700 177.387 -2.687 RESID 85 (Q): CA 58.200 58.200 57.984 0.216 RESID 85 (Q): CB 26.140 26.140 29.319 -3.179 RESID 85 (Q): H 9.838 9.838 7.960 1.878 RESID 86 (W): N 115.600 115.600 121.961 -6.361 RESID 86 (W): C 175.900 175.900 177.755 -1.855 RESID 86 (W): CA 55.320 55.320 60.447 -5.127 RESID 86 (W): CB 27.470 27.470 29.635 -2.165 RESID 86 (W): H 6.600 6.600 8.567 -1.967 RESID 87 (S): N 118.500 118.500 114.599 3.901 RESID 87 (S): C 177.300 177.300 175.824 1.476 RESID 87 (S): CA 62.340 62.340 61.912 0.428 RESID 87 (S): H 7.067 7.067 8.332 -1.264 RESID 88 (K): N 118.300 118.300 122.185 -3.885 RESID 88 (K): C 179.000 179.000 178.838 0.162 RESID 88 (K): CA 59.970 59.970 59.499 0.471 RESID 88 (K): CB 32.380 32.380 32.464 -0.084 RESID 88 (K): H 8.615 8.615 7.675 0.940 RESID 89 (V): N 120.600 120.600 114.216 6.384 RESID 89 (V): C 178.100 178.100 177.303 0.797 RESID 89 (V): CA 65.530 65.530 65.421 0.109 RESID 89 (V): CB 32.180 32.180 31.672 0.508 RESID 89 (V): H 7.089 7.089 7.684 -0.595 RESID 90 (A): N 120.700 120.700 121.173 -0.473 RESID 90 (A): C 180.000 180.000 178.946 1.054 RESID 90 (A): CA 55.490 55.490 54.172 1.318 RESID 90 (A): CB 19.130 19.130 17.826 1.304 RESID 90 (A): H 7.979 7.979 7.330 0.649 RESID 91 (K): N 117.600 117.600 118.013 -0.413 RESID 91 (K): C 180.900 180.900 177.893 3.007 RESID 91 (K): CA 59.830 59.830 58.835 0.995 RESID 91 (K): CB 32.700 32.700 32.720 -0.020 RESID 91 (K): H 7.844 7.844 8.132 -0.288 RESID 92 (E): N 122.300 122.300 117.288 5.012 RESID 92 (E): C 178.600 178.600 177.106 1.494 RESID 92 (E): CA 59.590 59.590 57.356 2.233 RESID 92 (E): CB 29.740 29.740 30.390 -0.650 RESID 92 (E): H 8.178 8.178 7.703 0.475 RESID 93 (R): N 115.300 115.300 118.368 -3.068 RESID 93 (R): C 175.000 175.000 174.669 0.331 RESID 93 (R): CA 56.320 56.320 55.530 0.790 RESID 93 (R): CB 29.390 29.390 30.913 -1.523 RESID 93 (R): H 7.776 7.776 8.037 -0.261 RESID 94 (K): N 116.800 116.800 115.729 1.071 RESID 94 (K): C 176.400 176.400 175.811 0.589 RESID 94 (K): CA 56.950 56.950 57.594 -0.644 RESID 94 (K): CB 28.870 28.870 30.332 -1.462 RESID 94 (K): H 7.697 7.697 8.405 -0.708 RESID 95 (L): N 120.600 120.600 122.459 -1.859 RESID 95 (L): C 177.200 177.200 176.848 0.352 RESID 95 (L): CA 56.710 56.710 55.762 0.948 RESID 95 (L): CB 43.480 43.480 42.339 1.141 RESID 95 (L): H 7.708 7.708 7.654 0.054 RESID 96 (Q): N 124.900 124.900 124.333 0.567 RESID 96 (Q): C 175.000 175.000 176.202 -1.202 RESID 96 (Q): CA 55.570 55.570 54.922 0.648 RESID 96 (Q): CB 30.080 30.080 29.793 0.287 RESID 96 (Q): H 7.526 7.526 8.407 -0.881 RESID 97 (R): N 126.000 126.000 119.565 6.435 RESID 97 (R): C 176.800 176.800 176.212 0.588 RESID 97 (R): CA 55.610 55.610 56.600 -0.990 RESID 97 (R): CB 31.840 31.840 30.215 1.625 RESID 97 (R): H 9.039 9.039 8.534 0.505 RESID 98 (L): N 126.500 126.500 123.040 3.460 RESID 98 (L): C 175.400 175.400 175.821 -0.421 RESID 98 (L): CA 56.610 56.610 54.225 2.385 RESID 98 (L): CB 47.140 47.140 43.764 3.376 RESID 98 (L): H 8.247 8.247 8.684 -0.437 RESID 99 (Y): N 110.000 110.000 111.991 -1.991 RESID 99 (Y): C 173.200 173.200 174.598 -1.398 RESID 99 (Y): CA 55.320 55.320 56.158 -0.838 RESID 99 (Y): CB 38.350 38.350 39.311 -0.961 RESID 99 (Y): H 6.465 6.465 7.824 -1.359 RESID 100 (I): N 120.000 120.000 124.368 -4.368 RESID 100 (I): C 176.800 176.800 177.105 -0.305 RESID 100 (I): CA 61.290 61.290 62.740 -1.450 RESID 100 (I): CB 39.980 39.980 36.867 3.113 RESID 100 (I): H 8.725 8.725 8.839 -0.114 RESID 101 (G): N 114.800 114.800 113.777 1.023 RESID 101 (G): C 173.400 173.400 174.015 -0.615 RESID 101 (G): CA 47.030 47.030 44.809 2.221 RESID 101 (G): H 8.224 8.224 8.470 -0.246 RESID 102 (E): N 129.600 129.600 118.689 10.911 RESID 102 (E): C 173.700 173.700 174.467 -0.767 RESID 102 (E): CA 54.480 54.480 54.001 0.479 RESID 102 (E): CB 29.790 29.790 27.749 2.041 RESID 102 (E): H 8.294 8.294 8.001 0.293 RESID 103 (P): C 175.400 175.400 176.234 -0.834 RESID 103 (P): CA 62.040 62.040 63.411 -1.371 RESID 103 (P): CB 32.570 32.570 32.663 -0.094 RESID 104 (S): N 111.900 111.900 117.095 -5.195 RESID 104 (S): C 174.800 174.800 174.635 0.165 RESID 104 (S): CA 55.340 55.340 58.506 -3.166 RESID 104 (S): CB 64.330 64.330 64.394 -0.064 RESID 104 (S): H 5.412 5.412 7.977 -2.565 RESID 105 (A): N 130.200 130.200 129.948 0.252 RESID 105 (A): C 179.400 179.400 179.049 0.351 RESID 105 (A): CA 55.070 55.070 54.309 0.761 RESID 105 (A): CB 18.210 18.210 19.113 -0.904 RESID 105 (A): H 9.211 9.211 8.878 0.333 RESID 106 (E): N 119.800 119.800 119.444 0.356 RESID 106 (E): C 179.300 179.300 178.856 0.444 RESID 106 (E): CA 60.270 60.270 59.030 1.240 RESID 106 (E): CB 28.990 28.990 29.461 -0.471 RESID 106 (E): H 8.731 8.731 8.588 0.143 RESID 107 (A): N 121.600 121.600 122.083 -0.483 RESID 107 (A): C 180.100 180.100 179.826 0.274 RESID 107 (A): CA 54.650 54.650 54.988 -0.338 RESID 107 (A): CB 19.220 19.220 18.450 0.770 RESID 107 (A): H 7.682 7.682 7.821 -0.139 RESID 108 (V): N 116.600 116.600 118.868 -2.268 RESID 108 (V): C 177.700 177.700 178.510 -0.810 RESID 108 (V): CA 66.920 66.920 65.751 1.169 RESID 108 (V): CB 31.430 31.430 31.321 0.109 RESID 108 (V): H 7.015 7.015 7.484 -0.469 RESID 109 (A): N 121.400 121.400 123.029 -1.629 RESID 109 (A): C 181.100 181.100 179.237 1.863 RESID 109 (A): CA 55.540 55.540 54.991 0.549 RESID 109 (A): CB 17.900 17.900 18.008 -0.108 RESID 109 (A): H 8.262 8.262 8.127 0.135 RESID 110 (A): N 118.800 118.800 119.555 -0.755 RESID 110 (A): C 178.900 178.900 178.632 0.268 RESID 110 (A): CA 54.300 54.300 54.541 -0.241 RESID 110 (A): CB 18.460 18.460 18.488 -0.028 RESID 110 (A): H 7.607 7.607 7.925 -0.318 RESID 111 (Q): N 113.500 113.500 114.590 -1.090 RESID 111 (Q): C 174.900 174.900 175.941 -1.041 RESID 111 (Q): CA 55.160 55.160 54.273 0.887 RESID 111 (Q): CB 28.450 28.450 28.665 -0.215 RESID 111 (Q): H 7.148 7.148 7.434 -0.286 RESID 112 (M): N 114.700 114.700 120.867 -6.167 RESID 112 (M): C 173.300 173.300 173.241 0.059 RESID 112 (M): CA 55.900 55.900 55.527 0.373 RESID 112 (M): CB 30.300 30.300 31.738 -1.438 RESID 112 (M): H 7.882 7.882 7.934 -0.052 RESID 113 (P): C 176.700 176.700 176.247 0.453 RESID 113 (P): CA 62.820 62.820 62.602 0.218 RESID 113 (P): CB 33.340 33.340 32.948 0.392 RESID 114 (D): N 115.800 115.800 118.040 -2.240 RESID 114 (D): C 175.900 175.900 175.979 -0.079 RESID 114 (D): CA 53.150 53.150 55.227 -2.077 RESID 114 (D): CB 40.990 40.990 42.849 -1.859 RESID 114 (D): H 8.850 8.850 8.234 0.616 RESID 115 (L): C 174.900 174.900 174.288 0.612 RESID 115 (L): CA 52.800 52.800 54.207 -1.407 RESID 116 (I): N 123.500 123.500 126.318 -2.818 RESID 116 (I): CA 60.270 60.270 60.375 -0.105 RESID 116 (I): H 9.340 9.340 8.008 1.332 RESID 118 (I): C 174.400 174.400 175.378 -0.978 RESID 118 (I): CA 60.250 60.250 59.821 0.429 RESID 118 (I): CB 42.610 42.610 41.599 1.011 RESID 119 (S): N 121.600 121.600 121.174 0.426 RESID 119 (S): C 175.700 175.700 175.114 0.586 RESID 119 (S): CA 57.150 57.150 57.742 -0.592 RESID 119 (S): CB 65.280 65.280 64.597 0.683 RESID 119 (S): H 9.575 9.575 8.535 1.040 RESID 120 (A): N 126.000 126.000 124.438 1.562 RESID 120 (A): C 176.900 176.900 177.379 -0.479 RESID 120 (A): CA 54.300 54.300 54.351 -0.051 RESID 120 (A): CB 20.530 20.530 19.012 1.518 RESID 120 (A): H 8.143 8.143 8.643 -0.500 RESID 121 (T): N 106.400 106.400 110.537 -4.137 RESID 121 (T): C 173.000 173.000 173.107 -0.107 RESID 121 (T): CA 59.450 59.450 61.902 -2.452 RESID 121 (T): CB 72.310 72.310 70.711 1.599 RESID 121 (T): H 7.617 7.617 7.832 -0.215 RESID 122 (G): N 104.200 104.200 110.655 -6.455 RESID 122 (G): C 177.200 177.200 174.126 3.074 RESID 122 (G): CA 44.430 44.430 45.201 -0.771 RESID 122 (G): H 7.998 7.998 7.842 0.156 RESID 123 (G): C 174.100 174.100 174.311 -0.211 RESID 123 (G): CA 46.710 46.710 45.665 1.045 RESID 124 (D): N 116.900 116.900 119.316 -2.416 RESID 124 (D): C 176.900 176.900 175.934 0.966 RESID 124 (D): CA 52.320 52.320 52.915 -0.595 RESID 124 (D): CB 40.690 40.690 40.639 0.051 RESID 124 (D): H 8.617 8.617 7.791 0.826 RESID 125 (S): N 115.100 115.100 119.206 -4.106 RESID 125 (S): C 176.900 176.900 175.246 1.654 RESID 125 (S): CA 58.750 58.750 58.703 0.047 RESID 125 (S): CB 64.190 64.190 64.044 0.146 RESID 125 (S): H 7.322 7.322 8.429 -1.107 RESID 126 (A): N 134.900 134.900 130.173 4.727 RESID 126 (A): C 176.700 176.700 178.654 -1.954 RESID 126 (A): CA 51.150 51.150 53.501 -2.351 RESID 126 (A): CB 16.850 16.850 19.083 -2.233 RESID 126 (A): H 8.837 8.837 8.580 0.257 RESID 127 (L): N 121.000 121.000 121.029 -0.029 RESID 127 (L): C 178.900 178.900 178.362 0.538 RESID 127 (L): CA 58.730 58.730 57.247 1.483 RESID 127 (L): CB 42.840 42.840 41.605 1.236 RESID 127 (L): H 7.353 7.353 8.153 -0.800 RESID 128 (A): N 121.600 121.600 118.203 3.397 RESID 128 (A): C 178.900 178.900 178.162 0.738 RESID 128 (A): CA 55.010 55.010 54.201 0.809 RESID 128 (A): CB 18.200 18.200 18.692 -0.492 RESID 128 (A): H 8.918 8.918 7.631 1.287 RESID 129 (L): N 116.800 116.800 116.189 0.611 RESID 129 (L): C 177.000 177.000 177.892 -0.892 RESID 129 (L): CA 53.930 53.930 55.194 -1.264 RESID 129 (L): CB 42.710 42.710 43.091 -0.381 RESID 129 (L): H 7.776 7.776 7.412 0.364 RESID 130 (Y): N 122.000 122.000 122.900 -0.900 RESID 130 (Y): C 177.100 177.100 176.796 0.304 RESID 130 (Y): CA 64.420 64.420 62.892 1.528 RESID 130 (Y): CB 39.470 39.470 38.423 1.047 RESID 130 (Y): H 7.891 7.891 8.978 -1.087 RESID 131 (D): N 119.000 119.000 117.852 1.148 RESID 131 (D): C 178.300 178.300 178.398 -0.098 RESID 131 (D): CA 58.040 58.040 57.431 0.609 RESID 131 (D): CB 39.660 39.660 39.362 0.298 RESID 131 (D): H 9.014 9.014 8.094 0.920 RESID 132 (Q): N 118.900 118.900 119.890 -0.990 RESID 132 (Q): C 179.100 179.100 178.819 0.281 RESID 132 (Q): CA 58.930 58.930 58.741 0.189 RESID 132 (Q): CB 29.320 29.320 28.738 0.582 RESID 132 (Q): H 7.814 7.814 7.960 -0.146 RESID 133 (L): N 119.700 119.700 120.034 -0.334 RESID 133 (L): C 177.900 177.900 178.615 -0.715 RESID 133 (L): CA 57.910 57.910 57.587 0.323 RESID 133 (L): CB 40.980 40.980 41.795 -0.815 RESID 133 (L): H 8.450 8.450 8.912 -0.462 RESID 134 (S): N 111.800 111.800 115.005 -3.205 RESID 134 (S): C 175.500 175.500 176.003 -0.503 RESID 134 (S): CA 61.160 61.160 60.840 0.320 RESID 134 (S): CB 63.450 63.450 62.658 0.792 RESID 134 (S): H 8.128 8.128 8.461 -0.333 RESID 135 (T): N 111.100 111.100 116.342 -5.242 RESID 135 (T): C 175.300 175.300 176.477 -1.177 RESID 135 (T): CA 63.230 63.230 65.272 -2.042 RESID 135 (T): CB 69.670 69.670 69.013 0.657 RESID 135 (T): H 6.953 6.953 7.592 -0.639 RESID 136 (I): N 124.400 124.400 120.446 3.954 RESID 136 (I): C 175.800 175.800 175.559 0.241 RESID 136 (I): CA 63.940 63.940 63.984 -0.045 RESID 136 (I): CB 38.870 38.870 38.522 0.348 RESID 136 (I): H 7.694 7.694 7.276 0.418 RESID 137 (A): N 120.500 120.500 118.554 1.946 RESID 137 (A): C 172.300 172.300 173.910 -1.610 RESID 137 (A): CA 50.470 50.470 50.606 -0.136 RESID 137 (A): CB 19.320 19.320 19.470 -0.150 RESID 137 (A): H 7.540 7.540 8.019 -0.479 RESID 138 (P): C 174.700 174.700 176.146 -1.446 RESID 138 (P): CA 64.700 64.700 63.465 1.235 RESID 138 (P): CB 31.610 31.610 31.852 -0.242 RESID 139 (T): N 122.000 122.000 119.918 2.082 RESID 139 (T): C 173.900 173.900 173.935 -0.035 RESID 139 (T): CA 61.630 61.630 62.928 -1.298 RESID 139 (T): CB 71.540 71.540 69.564 1.976 RESID 139 (T): H 7.990 7.990 7.995 -0.005 RESID 140 (L): C 174.900 174.900 174.314 0.586 RESID 140 (L): CA 52.740 52.740 53.521 -0.781 RESID 140 (L): CB 46.680 46.680 46.013 0.667 RESID 141 (I): N 123.500 123.500 125.774 -2.274 RESID 141 (I): C 175.700 175.700 174.579 1.121 RESID 141 (I): CA 60.250 60.250 61.244 -0.994 RESID 141 (I): CB 39.590 39.590 38.483 1.107 RESID 141 (I): H 9.345 9.345 7.910 1.435 RESID 142 (I): N 129.000 129.000 127.049 1.951 RESID 142 (I): C 174.400 174.400 174.162 0.238 RESID 142 (I): CA 57.930 57.930 59.891 -1.960 RESID 142 (I): CB 39.690 39.690 41.965 -2.275 RESID 142 (I): H 9.030 9.030 8.852 0.178 RESID 143 (N): N 129.100 129.100 124.068 5.032 RESID 143 (N): C 174.700 174.700 174.267 0.433 RESID 143 (N): CA 51.390 51.390 53.237 -1.847 RESID 143 (N): CB 39.720 39.720 39.676 0.044 RESID 143 (N): H 9.388 9.388 8.651 0.737 RESID 144 (Y): N 119.900 119.900 125.394 -5.494 RESID 144 (Y): C 176.500 176.500 174.715 1.785 RESID 144 (Y): CA 55.820 55.820 59.379 -3.559 RESID 144 (Y): CB 39.120 39.120 39.409 -0.289 RESID 144 (Y): H 8.491 8.491 8.173 0.318 RESID 145 (D): N 125.200 125.200 124.398 0.802 RESID 145 (D): C 176.800 176.800 175.070 1.730 RESID 145 (D): CA 55.220 55.220 55.397 -0.177 RESID 145 (D): CB 43.120 43.120 39.775 3.345 RESID 145 (D): H 8.800 8.800 8.368 0.432 RESID 146 (D): N 119.100 119.100 115.280 3.820 RESID 146 (D): C 175.200 175.200 175.269 -0.069 RESID 146 (D): CA 53.230 53.230 53.580 -0.350 RESID 146 (D): CB 40.760 40.760 42.374 -1.614 RESID 146 (D): H 7.571 7.571 8.644 -1.073 RESID 147 (K): N 114.100 114.100 119.815 -5.715 RESID 147 (K): C 175.000 175.000 175.274 -0.274 RESID 147 (K): CA 54.070 54.070 55.602 -1.532 RESID 147 (K): CB 33.340 33.340 35.149 -1.809 RESID 147 (K): H 7.018 7.018 7.568 -0.550 RESID 148 (S): N 118.300 118.300 118.780 -0.480 RESID 148 (S): C 175.700 175.700 176.086 -0.386 RESID 148 (S): CA 57.120 57.120 57.191 -0.072 RESID 148 (S): CB 64.970 64.970 64.231 0.739 RESID 148 (S): H 8.709 8.709 8.497 0.212 RESID 149 (W): N 121.700 121.700 120.070 1.630 RESID 149 (W): C 179.300 179.300 177.261 2.039 RESID 149 (W): CA 59.890 59.890 58.589 1.301 RESID 149 (W): CB 27.660 27.660 28.392 -0.733 RESID 149 (W): H 8.779 8.779 8.918 -0.139 RESID 150 (Q): N 124.600 124.600 121.415 3.185 RESID 150 (Q): C 178.100 178.100 177.830 0.270 RESID 150 (Q): CA 61.660 61.660 58.289 3.371 RESID 150 (Q): CB 26.550 26.550 27.748 -1.198 RESID 150 (Q): H 8.369 8.369 6.764 1.605 RESID 151 (S): N 117.500 117.500 116.384 1.116 RESID 151 (S): C 177.500 177.500 176.908 0.592 RESID 151 (S): CA 61.760 61.760 61.256 0.504 RESID 151 (S): CB 63.360 63.360 62.767 0.593 RESID 151 (S): H 7.769 7.769 7.675 0.094 RESID 152 (L): N 125.200 125.200 122.771 2.429 RESID 152 (L): C 178.700 178.700 178.147 0.553 RESID 152 (L): CA 58.320 58.320 57.942 0.378 RESID 152 (L): CB 41.980 41.980 41.685 0.295 RESID 152 (L): H 8.460 8.460 8.405 0.055 RESID 153 (L): N 119.200 119.200 118.650 0.550 RESID 153 (L): C 179.700 179.700 178.679 1.021 RESID 153 (L): CA 58.960 58.960 57.547 1.413 RESID 153 (L): CB 41.270 41.270 41.378 -0.108 RESID 153 (L): H 8.562 8.562 7.645 0.917 RESID 154 (T): N 116.300 116.300 112.837 3.463 RESID 154 (T): C 177.200 177.200 176.898 0.302 RESID 154 (T): CA 67.290 67.290 65.986 1.304 RESID 154 (T): CB 68.640 68.640 68.115 0.525 RESID 154 (T): H 8.004 8.004 7.873 0.131 RESID 155 (Q): N 124.500 124.500 121.046 3.454 RESID 155 (Q): C 179.200 179.200 178.040 1.160 RESID 155 (Q): CA 59.710 59.710 58.360 1.350 RESID 155 (Q): CB 28.620 28.620 28.372 0.248 RESID 155 (Q): H 8.230 8.230 7.973 0.257 RESID 156 (L): C 180.900 180.900 179.275 1.625 RESID 156 (L): CA 57.540 57.540 56.922 0.618 RESID 156 (L): CB 41.710 41.710 41.839 -0.129 RESID 157 (G): N 112.800 112.800 106.998 5.802 RESID 157 (G): C 174.500 174.500 175.047 -0.547 RESID 157 (G): CA 48.300 48.300 46.500 1.800 RESID 157 (G): H 9.216 9.216 8.018 1.198 RESID 158 (E): N 123.500 123.500 118.694 4.806 RESID 158 (E): C 177.800 177.800 177.189 0.611 RESID 158 (E): CA 59.120 59.120 57.885 1.235 RESID 158 (E): CB 29.700 29.700 29.401 0.298 RESID 158 (E): H 7.480 7.480 7.467 0.013 RESID 160 (T): C 178.300 178.300 175.998 2.302 RESID 160 (T): CA 61.930 61.930 63.112 -1.182 RESID 160 (T): CB 71.830 71.830 69.236 2.594 RESID 161 (G): N 113.600 113.600 113.913 -0.313 RESID 161 (G): C 174.600 174.600 174.165 0.435 RESID 161 (G): CA 48.130 48.130 46.896 1.234 RESID 161 (G): H 8.114 8.114 9.004 -0.890 RESID 162 (H): N 121.000 121.000 116.043 4.957 RESID 162 (H): C 174.000 174.000 176.163 -2.163 RESID 162 (H): CA 55.370 55.370 55.832 -0.462 RESID 162 (H): CB 28.280 28.280 31.241 -2.961 RESID 162 (H): H 8.506 8.506 7.834 0.672 RESID 163 (E): N 123.900 123.900 122.167 1.733 RESID 163 (E): C 180.800 180.800 178.483 2.317 RESID 163 (E): CA 61.160 61.160 59.755 1.405 RESID 163 (E): CB 28.720 28.720 29.148 -0.428 RESID 163 (E): H 10.300 10.300 8.792 1.508 RESID 164 (K): N 120.600 120.600 120.392 0.208 RESID 164 (K): C 178.700 178.700 178.788 -0.088 RESID 164 (K): CA 59.590 59.590 60.052 -0.462 RESID 164 (K): CB 32.280 32.280 31.975 0.305 RESID 164 (K): H 8.789 8.789 8.392 0.397 RESID 165 (Q): N 119.500 119.500 117.312 2.188 RESID 165 (Q): C 178.800 178.800 178.135 0.665 RESID 165 (Q): CA 60.870 60.870 58.848 2.022 RESID 165 (Q): CB 28.120 28.120 28.382 -0.262 RESID 165 (Q): H 8.058 8.058 8.547 -0.489 RESID 166 (A): N 121.100 121.100 122.428 -1.328 RESID 166 (A): C 178.000 178.000 179.431 -1.431 RESID 166 (A): CA 56.280 56.280 54.959 1.321 RESID 166 (A): CB 18.300 18.300 18.075 0.225 RESID 166 (A): H 7.873 7.873 8.014 -0.141 RESID 167 (A): N 117.900 117.900 120.952 -3.052 RESID 167 (A): C 181.500 181.500 179.611 1.889 RESID 167 (A): CA 55.100 55.100 55.263 -0.163 RESID 167 (A): CB 17.860 17.860 18.168 -0.308 RESID 167 (A): H 7.642 7.642 8.764 -1.122 RESID 168 (E): N 120.100 120.100 118.564 1.536 RESID 168 (E): C 179.600 179.600 179.131 0.469 RESID 168 (E): CA 59.610 59.610 59.611 -0.001 RESID 168 (E): CB 29.790 29.790 29.337 0.453 RESID 168 (E): H 8.230 8.230 7.912 0.318 RESID 170 (I): C 177.700 177.700 177.705 -0.005 RESID 170 (I): CA 66.880 66.880 65.299 1.581 RESID 170 (I): CB 39.310 39.310 37.959 1.351 RESID 171 (A): N 120.700 120.700 123.200 -2.500 RESID 171 (A): C 181.200 181.200 179.832 1.368 RESID 171 (A): CA 55.290 55.290 55.650 -0.360 RESID 171 (A): CB 18.260 18.260 18.112 0.148 RESID 171 (A): H 8.000 8.000 8.778 -0.778 RESID 172 (Q): N 120.600 120.600 118.054 2.546 RESID 172 (Q): C 179.200 179.200 178.586 0.614 RESID 172 (Q): CA 59.210 59.210 58.512 0.698 RESID 172 (Q): CB 28.340 28.340 28.598 -0.258 RESID 172 (Q): H 8.585 8.585 7.950 0.635 RESID 173 (F): N 122.500 122.500 122.572 -0.072 RESID 173 (F): C 176.400 176.400 177.418 -1.018 RESID 173 (F): CA 62.710 62.710 61.099 1.611 RESID 173 (F): CB 39.490 39.490 39.131 0.359 RESID 173 (F): H 8.457 8.457 8.771 -0.314 RESID 174 (D): N 121.000 121.000 120.141 0.859 RESID 174 (D): C 180.300 180.300 178.891 1.409 RESID 174 (D): CA 58.040 58.040 57.498 0.542 RESID 174 (D): CB 40.160 40.160 40.258 -0.098 RESID 174 (D): H 8.771 8.771 9.050 -0.279 RESID 175 (K): N 121.300 121.300 120.239 1.061 RESID 175 (K): C 179.800 179.800 178.638 1.162 RESID 175 (K): CA 59.630 59.630 59.648 -0.018 RESID 175 (K): CB 32.710 32.710 32.400 0.310 RESID 175 (K): H 8.125 8.125 8.220 -0.095 RESID 176 (Q): N 121.600 121.600 119.512 2.088 RESID 176 (Q): C 179.100 179.100 178.330 0.770 RESID 176 (Q): CA 58.460 58.460 58.941 -0.481 RESID 176 (Q): CB 27.990 27.990 28.523 -0.533 RESID 176 (Q): H 8.164 8.164 7.826 0.338 RESID 177 (L): N 125.600 125.600 119.594 6.006 RESID 177 (L): C 178.400 178.400 178.679 -0.279 RESID 177 (L): CA 59.890 59.890 57.233 2.657 RESID 177 (L): CB 41.200 41.200 41.368 -0.168 RESID 177 (L): H 8.944 8.944 7.745 1.199 RESID 178 (A): N 121.500 121.500 122.561 -1.061 RESID 178 (A): C 180.600 180.600 179.231 1.369 RESID 178 (A): CA 55.390 55.390 55.195 0.195 RESID 178 (A): CB 17.970 17.970 17.885 0.085 RESID 178 (A): H 7.690 7.690 8.248 -0.558 RESID 179 (A): N 120.200 120.200 121.009 -0.809 RESID 179 (A): C 180.600 180.600 179.883 0.717 RESID 179 (A): CA 54.860 54.860 54.526 0.334 RESID 179 (A): CB 18.190 18.190 18.595 -0.404 RESID 179 (A): H 7.706 7.706 7.667 0.039 RESID 180 (A): N 121.800 121.800 121.798 0.002 RESID 180 (A): C 179.200 179.200 179.104 0.096 RESID 180 (A): CA 55.490 55.490 54.744 0.746 RESID 180 (A): CB 17.920 17.920 18.187 -0.267 RESID 180 (A): H 8.171 8.171 7.995 0.176 RESID 181 (K): N 118.100 118.100 117.921 0.179 RESID 181 (K): C 178.000 178.000 178.099 -0.099 RESID 181 (K): CA 59.830 59.830 59.200 0.630 RESID 181 (K): CB 33.340 33.340 32.638 0.702 RESID 181 (K): H 8.342 8.342 8.300 0.042 RESID 182 (E): N 114.400 114.400 116.538 -2.138 RESID 182 (E): C 177.300 177.300 177.430 -0.130 RESID 182 (E): CA 57.870 57.870 57.112 0.758 RESID 182 (E): CB 30.320 30.320 29.235 1.085 RESID 182 (E): H 7.153 7.153 7.728 -0.575 RESID 183 (Q): N 116.700 116.700 117.391 -0.691 RESID 183 (Q): C 177.200 177.200 176.172 1.028 RESID 183 (Q): CA 57.060 57.060 56.820 0.240 RESID 183 (Q): CB 31.550 31.550 31.136 0.414 RESID 183 (Q): H 7.458 7.458 7.641 -0.183 RESID 184 (I): N 117.800 117.800 115.874 1.926 RESID 184 (I): C 175.200 175.200 174.236 0.964 RESID 184 (I): CA 63.000 63.000 59.743 3.256 RESID 184 (I): CB 40.300 40.300 39.954 0.346 RESID 184 (I): H 7.723 7.723 7.428 0.295 RESID 185 (K): N 127.700 127.700 122.943 4.757 RESID 185 (K): C 175.600 175.600 175.626 -0.026 RESID 185 (K): CA 54.550 54.550 55.123 -0.573 RESID 185 (K): CB 31.600 31.600 34.512 -2.912 RESID 185 (K): H 8.743 8.743 7.906 0.837 RESID 186 (L): N 124.700 124.700 125.739 -1.039 RESID 186 (L): C 175.700 175.700 175.916 -0.216 RESID 186 (L): CA 54.240 54.240 51.888 2.353 RESID 186 (L): CB 41.050 41.050 40.678 0.372 RESID 186 (L): H 8.051 8.051 8.477 -0.426 RESID 188 (P): C 174.800 174.800 176.254 -1.454 RESID 188 (P): CA 65.060 65.060 63.593 1.467 RESID 188 (P): CB 32.670 32.670 31.662 1.008 RESID 189 (Q): N 121.300 121.300 121.009 0.291 RESID 189 (Q): C 174.800 174.800 172.942 1.858 RESID 189 (Q): CA 52.330 52.330 54.717 -2.387 RESID 189 (Q): CB 31.350 31.350 30.392 0.958 RESID 189 (Q): H 8.061 8.061 8.222 -0.161 RESID 190 (P): C 175.500 175.500 175.572 -0.072 RESID 190 (P): CA 62.820 62.820 62.472 0.348 RESID 190 (P): CB 35.450 35.450 32.821 2.630 RESID 191 (V): N 112.600 112.600 121.564 -8.964 RESID 191 (V): C 174.300 174.300 173.969 0.331 RESID 191 (V): CA 59.740 59.740 59.525 0.215 RESID 191 (V): CB 35.030 35.030 34.680 0.350 RESID 191 (V): H 9.214 9.214 8.477 0.737 RESID 192 (T): N 120.700 120.700 113.336 7.364 RESID 192 (T): C 172.300 172.300 172.091 0.209 RESID 192 (T): CA 63.030 63.030 59.525 3.505 RESID 192 (T): CB 71.550 71.550 71.256 0.294 RESID 192 (T): H 8.462 8.462 8.325 0.137 RESID 193 (A): N 132.900 132.900 122.996 9.904 RESID 193 (A): C 175.400 175.400 175.406 -0.006 RESID 193 (A): CA 50.570 50.570 51.114 -0.544 RESID 193 (A): CB 21.140 21.140 21.450 -0.309 RESID 193 (A): H 10.170 10.170 8.563 1.607 RESID 194 (I): N 115.400 115.400 117.490 -2.090 RESID 194 (I): C 176.600 176.600 173.721 2.879 RESID 194 (I): CA 59.540 59.540 59.977 -0.437 RESID 194 (I): CB 43.930 43.930 42.117 1.813 RESID 194 (I): H 9.269 9.269 8.532 0.737 RESID 195 (V): N 118.500 118.500 122.822 -4.322 RESID 195 (V): C 176.200 176.200 174.072 2.128 RESID 195 (V): CA 63.190 63.190 61.380 1.810 RESID 195 (V): CB 34.870 34.870 34.686 0.184 RESID 195 (V): H 8.484 8.484 8.640 -0.156 RESID 196 (Y): N 132.200 132.200 129.490 2.710 RESID 196 (Y): C 174.700 174.700 174.152 0.548 RESID 196 (Y): CA 57.000 57.000 57.412 -0.412 RESID 196 (Y): CB 41.250 41.250 40.193 1.057 RESID 196 (Y): H 9.989 9.989 8.976 1.013 RESID 197 (T): N 124.900 124.900 123.411 1.489 RESID 197 (T): C 174.300 174.300 173.371 0.929 RESID 197 (T): CA 60.740 60.740 60.618 0.122 RESID 197 (T): CB 68.560 68.560 71.600 -3.040 RESID 197 (T): H 8.262 8.262 7.836 0.426 RESID 198 (A): N 130.500 130.500 130.887 -0.387 RESID 198 (A): C 180.400 180.400 179.075 1.325 RESID 198 (A): CA 55.510 55.510 54.297 1.213 RESID 198 (A): CB 18.480 18.480 18.371 0.109 RESID 198 (A): H 8.524 8.524 8.827 -0.303 RESID 199 (A): N 118.700 118.700 123.352 -4.652 RESID 199 (A): C 177.700 177.700 178.744 -1.044 RESID 199 (A): CA 54.350 54.350 54.827 -0.477 RESID 199 (A): CB 18.350 18.350 18.017 0.333 RESID 199 (A): H 8.578 8.578 8.257 0.321 RESID 200 (A): N 116.700 116.700 120.569 -3.869 RESID 200 (A): C 176.600 176.600 177.220 -0.620 RESID 200 (A): CA 51.290 51.290 52.113 -0.823 RESID 200 (A): CB 20.180 20.180 18.844 1.336 RESID 200 (A): H 6.638 6.638 8.080 -1.442 RESID 201 (H): N 116.900 116.900 116.338 0.562 RESID 201 (H): C 172.900 172.900 173.390 -0.490 RESID 201 (H): CA 56.710 56.710 56.312 0.398 RESID 201 (H): CB 27.820 27.820 28.260 -0.440 RESID 201 (H): H 7.569 7.569 7.714 -0.145 RESID 202 (S): N 110.500 110.500 114.531 -4.031 RESID 202 (S): C 171.500 171.500 171.460 0.040 RESID 202 (S): CA 56.530 56.530 57.599 -1.069 RESID 202 (S): CB 66.170 66.170 66.312 -0.142 RESID 202 (S): H 7.109 7.109 7.804 -0.695 RESID 203 (A): N 120.900 120.900 123.846 -2.946 RESID 203 (A): C 174.900 174.900 175.293 -0.393 RESID 203 (A): CA 50.890 50.890 51.423 -0.533 RESID 203 (A): CB 24.510 24.510 22.239 2.271 RESID 203 (A): H 8.618 8.618 8.308 0.310 RESID 204 (N): N 118.900 118.900 118.858 0.042 RESID 204 (N): C 173.300 173.300 173.482 -0.182 RESID 204 (N): CA 51.520 51.520 52.083 -0.563 RESID 204 (N): CB 40.080 40.080 42.125 -2.045 RESID 204 (N): H 8.333 8.333 8.216 0.117 RESID 205 (L): N 127.200 127.200 121.832 5.368 RESID 205 (L): C 175.700 175.700 175.588 0.112 RESID 205 (L): CA 54.920 54.920 54.077 0.843 RESID 205 (L): CB 44.180 44.180 42.613 1.567 RESID 205 (L): H 9.265 9.265 7.616 1.649 RESID 206 (W): N 125.300 125.300 123.686 1.614 RESID 206 (W): C 177.100 177.100 176.447 0.653 RESID 206 (W): CA 56.630 56.630 57.396 -0.766 RESID 206 (W): CB 29.690 29.690 30.822 -1.132 RESID 206 (W): H 8.560 8.560 7.940 0.620 RESID 207 (T): N 112.000 112.000 110.211 1.789 RESID 207 (T): C 176.100 176.100 173.279 2.821 RESID 207 (T): CA 60.120 60.120 59.231 0.889 RESID 207 (T): CB 68.540 68.540 70.400 -1.859 RESID 207 (T): H 8.029 8.029 8.140 -0.111 RESID 208 (P): C 176.000 176.000 176.844 -0.844 RESID 208 (P): CA 66.120 66.120 65.380 0.740 RESID 208 (P): CB 31.950 31.950 32.166 -0.216 RESID 209 (E): N 112.300 112.300 115.064 -2.764 RESID 209 (E): C 177.100 177.100 176.812 0.288 RESID 209 (E): CA 57.280 57.280 57.209 0.071 RESID 209 (E): CB 29.760 29.760 30.154 -0.394 RESID 209 (E): H 7.612 7.612 7.971 -0.359 RESID 210 (S): N 115.800 115.800 115.143 0.657 RESID 210 (S): C 173.900 173.900 175.525 -1.625 RESID 210 (S): CA 58.060 58.060 59.140 -1.080 RESID 210 (S): CB 67.320 67.320 64.478 2.842 RESID 210 (S): H 7.654 7.654 7.433 0.221 RESID 211 (A): N 125.200 125.200 127.511 -2.311 RESID 211 (A): C 180.600 180.600 179.851 0.749 RESID 211 (A): CA 55.410 55.410 55.300 0.110 RESID 211 (A): CB 18.530 18.530 18.764 -0.234 RESID 211 (A): H 8.874 8.874 9.027 -0.153 RESID 212 (Q): N 119.200 119.200 118.658 0.542 RESID 212 (Q): C 177.100 177.100 178.002 -0.902 RESID 212 (Q): CA 61.410 61.410 58.976 2.434 RESID 212 (Q): CB 27.090 27.090 27.406 -0.316 RESID 212 (Q): H 8.493 8.493 8.477 0.016 RESID 213 (G): N 107.500 107.500 107.681 -0.181 RESID 213 (G): C 175.400 175.400 176.329 -0.929 RESID 213 (G): CA 47.520 47.520 46.842 0.678 RESID 213 (G): H 8.053 8.053 8.320 -0.267 RESID 214 (Q): N 120.700 120.700 121.443 -0.743 RESID 214 (Q): C 179.000 179.000 178.379 0.621 RESID 214 (Q): CA 59.150 59.150 58.851 0.299 RESID 214 (Q): CB 29.110 29.110 28.691 0.419 RESID 214 (Q): H 8.501 8.501 8.083 0.418 RESID 215 (M): N 119.200 119.200 120.680 -1.480 RESID 215 (M): C 177.800 177.800 178.168 -0.368 RESID 215 (M): CA 59.760 59.760 59.655 0.105 RESID 215 (M): CB 32.050 32.050 32.833 -0.783 RESID 215 (M): H 7.878 7.878 8.209 -0.331 RESID 216 (L): N 115.800 115.800 118.798 -2.998 RESID 216 (L): C 179.900 179.900 179.029 0.871 RESID 216 (L): CA 58.160 58.160 57.659 0.501 RESID 216 (L): CB 40.010 40.010 41.450 -1.440 RESID 216 (L): H 7.517 7.517 8.011 -0.494 RESID 217 (E): N 121.000 121.000 119.681 1.319 RESID 217 (E): C 182.200 182.200 179.299 2.901 RESID 217 (E): CA 60.210 60.210 58.944 1.266 RESID 217 (E): CB 29.150 29.150 29.418 -0.268 RESID 217 (E): H 8.377 8.377 8.169 0.208 RESID 218 (Q): N 122.300 122.300 117.136 5.164 RESID 218 (Q): C 178.100 178.100 178.879 -0.779 RESID 218 (Q): CA 59.220 59.220 58.252 0.968 RESID 218 (Q): CB 28.850 28.850 29.113 -0.262 RESID 218 (Q): H 8.464 8.464 7.935 0.529 RESID 219 (L): N 118.400 118.400 117.700 0.700 RESID 219 (L): C 175.200 175.200 177.462 -2.262 RESID 219 (L): CA 55.880 55.880 57.230 -1.350 RESID 219 (L): CB 44.330 44.330 42.872 1.458 RESID 219 (L): H 7.433 7.433 7.770 -0.337 RESID 220 (G): N 104.600 104.600 102.669 1.931 RESID 220 (G): C 174.700 174.700 172.899 1.801 RESID 220 (G): CA 44.750 44.750 44.699 0.051 RESID 220 (G): H 7.777 7.777 8.183 -0.406 RESID 221 (F): N 119.100 119.100 118.689 0.411 RESID 221 (F): C 175.200 175.200 174.078 1.122 RESID 221 (F): CA 57.900 57.900 55.986 1.913 RESID 221 (F): CB 38.930 38.930 42.591 -3.661 RESID 221 (F): H 8.001 8.001 7.786 0.215 RESID 222 (T): N 117.600 117.600 116.140 1.460 RESID 222 (T): C 173.900 173.900 173.494 0.406 RESID 222 (T): CA 61.790 61.790 61.272 0.518 RESID 222 (T): CB 71.360 71.360 69.597 1.763 RESID 222 (T): H 8.961 8.961 8.740 0.221 RESID 223 (L): N 128.300 128.300 127.002 1.298 RESID 223 (L): C 178.300 178.300 176.646 1.654 RESID 223 (L): CA 54.760 54.760 53.393 1.367 RESID 223 (L): CB 41.600 41.600 42.768 -1.168 RESID 223 (L): H 9.269 9.269 8.209 1.060 RESID 224 (A): N 126.800 126.800 128.066 -1.266 RESID 224 (A): C 177.400 177.400 175.862 1.538 RESID 224 (A): CA 52.460 52.460 50.979 1.481 RESID 224 (A): CB 18.650 18.650 20.838 -2.188 RESID 224 (A): H 9.077 9.077 8.118 0.959 RESID 225 (K): N 123.400 123.400 121.197 2.203 RESID 225 (K): C 176.800 176.800 176.196 0.604 RESID 225 (K): CA 55.600 55.600 55.592 0.008 RESID 225 (K): CB 33.080 33.080 32.883 0.197 RESID 225 (K): H 8.601 8.601 8.365 0.236 RESID 226 (L): N 126.200 126.200 128.032 -1.832 RESID 226 (L): C 175.500 175.500 175.604 -0.104 RESID 226 (L): CA 53.420 53.420 53.928 -0.508 RESID 226 (L): CB 41.720 41.720 41.246 0.474 RESID 226 (L): H 8.634 8.634 8.518 0.116 RESID 227 (P): C 176.800 176.800 177.066 -0.266 RESID 227 (P): CA 62.860 62.860 62.902 -0.042 RESID 227 (P): CB 32.360 32.360 32.180 0.180 RESID 228 (A): N 124.900 124.900 124.844 0.056 RESID 228 (A): C 179.500 179.500 178.460 1.040 RESID 228 (A): CA 54.120 54.120 53.386 0.734 RESID 228 (A): CB 18.710 18.710 18.703 0.007 RESID 228 (A): H 8.412 8.412 8.509 -0.097 RESID 229 (G): N 107.700 107.700 107.488 0.212 RESID 229 (G): C 175.000 175.000 175.983 -0.983 RESID 229 (G): CA 46.040 46.040 45.423 0.617 RESID 229 (G): H 8.565 8.565 8.094 0.471 RESID 230 (L): N 121.100 121.100 122.292 -1.192 RESID 230 (L): C 176.900 176.900 178.355 -1.455 RESID 230 (L): CA 55.620 55.620 55.537 0.083 RESID 230 (L): CB 42.630 42.630 41.663 0.967 RESID 230 (L): H 7.454 7.454 7.872 -0.418 RESID 231 (N): N 119.400 119.400 119.825 -0.425 RESID 231 (N): C 175.300 175.300 175.908 -0.608 RESID 231 (N): CA 53.650 53.650 56.133 -2.483 RESID 231 (N): CB 38.940 38.940 37.999 0.941 RESID 231 (N): H 8.211 8.211 8.039 0.172 RESID 232 (A): N 124.500 124.500 119.545 4.955 RESID 232 (A): C 178.100 178.100 178.056 0.044 RESID 232 (A): CA 53.110 53.110 51.693 1.417 RESID 232 (A): CB 19.340 19.340 18.042 1.298 RESID 232 (A): H 8.103 8.103 7.938 0.165 RESID 233 (S): N 115.200 115.200 115.223 -0.023 RESID 233 (S): C 175.100 175.100 175.578 -0.478 RESID 233 (S): CA 59.280 59.280 60.986 -1.706 RESID 233 (S): CB 64.280 64.280 63.336 0.944 RESID 233 (S): H 8.169 8.169 8.438 -0.269 RESID 234 (Q): N 122.100 122.100 120.663 1.437 RESID 234 (Q): C 176.400 176.400 175.684 0.716 RESID 234 (Q): CA 56.240 56.240 56.069 0.171 RESID 234 (Q): CB 29.490 29.490 30.814 -1.325 RESID 234 (Q): H 8.230 8.230 7.796 0.434 RESID 235 (S): N 117.100 117.100 118.096 -0.996 RESID 235 (S): C 174.900 174.900 174.632 0.268 RESID 235 (S): CA 58.910 58.910 58.867 0.043 RESID 235 (S): CB 64.510 64.510 62.894 1.616 RESID 235 (S): H 8.229 8.229 8.440 -0.211 RESID 236 (Q): N 122.300 122.300 127.143 -4.843 RESID 236 (Q): C 176.700 176.700 175.440 1.260 RESID 236 (Q): CA 56.610 56.610 55.491 1.119 RESID 236 (Q): CB 29.280 29.280 27.647 1.633 RESID 236 (Q): H 8.372 8.372 8.862 -0.490 RESID 237 (G): N 110.400 110.400 109.026 1.374 RESID 237 (G): C 174.100 174.100 172.960 1.140 RESID 237 (G): CA 45.720 45.720 45.478 0.242 RESID 237 (G): H 8.381 8.381 7.580 0.801 RESID 238 (K): N 120.500 120.500 121.499 -0.999 RESID 238 (K): C 176.600 176.600 175.499 1.101 RESID 238 (K): CA 56.490 56.490 55.988 0.502 RESID 238 (K): CB 33.320 33.320 32.759 0.561 RESID 238 (K): H 7.968 7.968 8.357 -0.389 RESID 239 (R): N 120.900 120.900 124.957 -4.057 RESID 239 (R): CA 56.130 56.130 55.950 0.180 RESID 239 (R): CB 31.560 31.560 30.899 0.661 RESID 239 (R): H 8.159 8.159 8.503 -0.344 RESID 240 (H): C 174.800 174.800 176.545 -1.745 RESID 240 (H): CA 55.740 55.740 58.620 -2.880 RESID 240 (H): CB 29.760 29.760 30.062 -0.302 RESID 241 (D): N 119.800 119.800 119.225 0.575 RESID 241 (D): C 174.700 174.700 176.279 -1.579 RESID 241 (D): CA 55.500 55.500 56.010 -0.510 RESID 241 (D): CB 40.550 40.550 41.227 -0.678 RESID 241 (D): H 9.052 9.052 8.396 0.656 RESID 242 (I): N 115.200 115.200 114.952 0.248 RESID 242 (I): C 175.600 175.600 174.385 1.215 RESID 242 (I): CA 59.090 59.090 59.383 -0.293 RESID 242 (I): CB 43.670 43.670 40.918 2.752 RESID 242 (I): H 7.087 7.087 7.410 -0.323 RESID 243 (I): N 125.100 125.100 125.999 -0.899 RESID 243 (I): C 175.300 175.300 174.268 1.032 RESID 243 (I): CA 60.340 60.340 60.653 -0.313 RESID 243 (I): CB 41.290 41.290 38.352 2.938 RESID 243 (I): H 8.746 8.746 8.537 0.209 RESID 244 (Q): N 128.400 128.400 127.524 0.876 RESID 244 (Q): C 175.300 175.300 174.262 1.038 RESID 244 (Q): CA 56.460 56.460 54.922 1.538 RESID 244 (Q): CB 29.800 29.800 29.815 -0.015 RESID 244 (Q): H 8.768 8.768 8.596 0.172 RESID 245 (L): N 125.500 125.500 123.506 1.994 RESID 245 (L): C 176.200 176.200 176.627 -0.427 RESID 245 (L): CA 53.790 53.790 53.106 0.684 RESID 245 (L): CB 45.100 45.100 44.845 0.255 RESID 245 (L): H 8.640 8.640 8.358 0.282 RESID 246 (G): N 109.700 109.700 105.045 4.655 RESID 246 (G): C 174.200 174.200 174.320 -0.120 RESID 246 (G): CA 44.590 44.590 45.016 -0.426 RESID 246 (G): H 8.424 8.424 8.440 -0.016 RESID 247 (G): N 108.500 108.500 108.626 -0.126 RESID 247 (G): C 176.800 176.800 174.983 1.817 RESID 247 (G): CA 47.500 47.500 44.337 3.163 RESID 247 (G): H 8.666 8.666 7.741 0.925 RESID 248 (E): N 123.700 123.700 121.109 2.591 RESID 248 (E): C 177.300 177.300 176.544 0.756 RESID 248 (E): CA 58.560 58.560 57.502 1.058 RESID 248 (E): CB 29.330 29.330 29.307 0.023 RESID 248 (E): H 9.265 9.265 8.806 0.459 RESID 249 (N): N 116.700 116.700 116.288 0.412 RESID 249 (N): C 175.500 175.500 175.999 -0.499 RESID 249 (N): CA 53.490 53.490 53.741 -0.251 RESID 249 (N): CB 39.390 39.390 38.647 0.743 RESID 249 (N): H 7.963 7.963 7.519 0.444 RESID 250 (L): N 121.100 121.100 119.966 1.134 RESID 250 (L): C 177.100 177.100 178.096 -0.996 RESID 250 (L): CA 58.810 58.810 57.014 1.796 RESID 250 (L): CB 42.220 42.220 41.451 0.769 RESID 250 (L): H 7.104 7.104 7.808 -0.704 RESID 251 (A): N 117.400 117.400 122.452 -5.052 RESID 251 (A): C 179.500 179.500 178.164 1.336 RESID 251 (A): CA 55.340 55.340 54.655 0.685 RESID 251 (A): CB 17.960 17.960 18.388 -0.428 RESID 251 (A): H 8.141 8.141 8.311 -0.170 RESID 252 (A): N 117.400 117.400 118.589 -1.189 RESID 252 (A): C 179.100 179.100 178.320 0.780 RESID 252 (A): CA 53.990 53.990 52.374 1.616 RESID 252 (A): CB 18.970 18.970 18.973 -0.003 RESID 252 (A): H 7.375 7.375 8.411 -1.036 RESID 253 (G): N 100.600 100.600 107.901 -7.301 RESID 253 (G): C 172.700 172.700 174.790 -2.090 RESID 253 (G): CA 45.380 45.380 45.021 0.359 RESID 253 (G): H 7.589 7.589 7.557 0.032 RESID 254 (L): N 124.800 124.800 122.829 1.971 RESID 254 (L): C 175.300 175.300 177.577 -2.277 RESID 254 (L): CA 53.020 53.020 54.873 -1.853 RESID 254 (L): CB 39.090 39.090 42.113 -3.023 RESID 254 (L): H 7.202 7.202 7.781 -0.579 RESID 255 (N): N 113.800 113.800 121.520 -7.720 RESID 255 (N): C 176.600 176.600 176.252 0.348 RESID 255 (N): CA 53.420 53.420 53.967 -0.547 RESID 255 (N): CB 37.600 37.600 38.827 -1.227 RESID 255 (N): H 7.701 7.701 8.842 -1.141 RESID 256 (G): N 109.100 109.100 106.650 2.450 RESID 256 (G): C 172.200 172.200 174.584 -2.384 RESID 256 (G): CA 45.790 45.790 45.336 0.455 RESID 256 (G): H 7.856 7.856 8.552 -0.696 RESID 257 (E): N 120.100 120.100 118.815 1.285 RESID 257 (E): C 176.900 176.900 175.588 1.312 RESID 257 (E): CA 57.880 57.880 56.634 1.246 RESID 257 (E): CB 29.760 29.760 30.577 -0.817 RESID 257 (E): H 8.443 8.443 8.635 -0.192 RESID 258 (S): N 107.500 107.500 113.709 -6.209 RESID 258 (S): C 172.500 172.500 172.417 0.083 RESID 258 (S): CA 58.010 58.010 58.539 -0.529 RESID 258 (S): CB 66.360 66.360 63.794 2.566 RESID 258 (S): H 7.176 7.176 8.016 -0.840 RESID 259 (L): N 124.900 124.900 127.596 -2.696 RESID 259 (L): C 173.900 173.900 176.449 -2.549 RESID 259 (L): CA 53.630 53.630 54.349 -0.719 RESID 259 (L): CB 46.240 46.240 42.410 3.830 RESID 259 (L): H 8.969 8.969 8.043 0.926 RESID 260 (F): N 123.700 123.700 122.959 0.741 RESID 260 (F): C 174.200 174.200 176.019 -1.819 RESID 260 (F): CA 56.460 56.460 54.910 1.550 RESID 260 (F): CB 41.560 41.560 40.523 1.037 RESID 260 (F): H 9.295 9.295 8.149 1.146 RESID 261 (L): N 123.900 123.900 120.162 3.738 RESID 261 (L): C 177.600 177.600 177.066 0.534 RESID 261 (L): CA 54.010 54.010 53.193 0.817 RESID 261 (L): CB 41.470 41.470 45.503 -4.033 RESID 261 (L): H 9.034 9.034 8.182 0.852 RESID 262 (F): N 123.800 123.800 122.245 1.555 RESID 262 (F): C 175.500 175.500 175.809 -0.309 RESID 262 (F): CA 58.850 58.850 56.908 1.942 RESID 262 (F): CB 39.930 39.930 38.496 1.434 RESID 262 (F): H 9.338 9.338 9.084 0.254 RESID 263 (A): N 121.900 121.900 124.081 -2.181 RESID 263 (A): C 175.300 175.300 177.029 -1.729 RESID 263 (A): CA 53.630 53.630 52.682 0.948 RESID 263 (A): CB 19.700 19.700 16.809 2.891 RESID 263 (A): H 8.902 8.902 8.260 0.642 RESID 264 (G): N 104.500 104.500 111.536 -7.036 RESID 264 (G): C 171.100 171.100 172.733 -1.633 RESID 264 (G): CA 45.540 45.540 45.039 0.501 RESID 264 (G): H 6.746 6.746 7.852 -1.106 RESID 265 (D): N 122.300 122.300 122.651 -0.351 RESID 265 (D): C 177.300 177.300 177.275 0.025 RESID 265 (D): CA 51.660 51.660 52.790 -1.130 RESID 265 (D): CB 42.840 42.840 42.240 0.600 RESID 265 (D): H 9.052 9.052 8.130 0.922 RESID 266 (Q): N 118.400 118.400 119.634 -1.234 RESID 266 (Q): C 177.600 177.600 177.448 0.152 RESID 266 (Q): CA 58.620 58.620 59.070 -0.450 RESID 266 (Q): CB 28.490 28.490 28.648 -0.158 RESID 266 (Q): H 8.277 8.277 8.605 -0.328 RESID 267 (K): N 117.700 117.700 118.791 -1.091 RESID 267 (K): C 180.400 180.400 178.087 2.313 RESID 267 (K): CA 59.390 59.390 59.562 -0.172 RESID 267 (K): CB 31.440 31.440 31.783 -0.343 RESID 267 (K): H 7.879 7.879 7.917 -0.038 RESID 268 (D): N 121.600 121.600 119.645 1.955 RESID 268 (D): C 177.400 177.400 178.339 -0.939 RESID 268 (D): CA 57.980 57.980 56.977 1.002 RESID 268 (D): CB 41.550 41.550 40.251 1.299 RESID 268 (D): H 7.640 7.640 8.119 -0.479 RESID 269 (A): N 121.700 121.700 121.483 0.217 RESID 269 (A): C 179.000 179.000 178.410 0.590 RESID 269 (A): CA 55.640 55.640 54.922 0.718 RESID 269 (A): CB 17.490 17.490 18.196 -0.706 RESID 269 (A): H 7.370 7.370 7.623 -0.253 RESID 270 (D): N 118.200 118.200 118.006 0.194 RESID 270 (D): C 179.300 179.300 176.505 2.795 RESID 270 (D): CA 57.570 57.570 56.291 1.279 RESID 270 (D): CB 39.860 39.860 40.243 -0.383 RESID 270 (D): H 8.735 8.735 7.962 0.773 RESID 271 (A): N 122.900 122.900 119.899 3.001 RESID 271 (A): C 180.800 180.800 179.325 1.475 RESID 271 (A): CA 55.040 55.040 53.561 1.479 RESID 271 (A): CB 18.300 18.300 19.310 -1.010 RESID 271 (A): H 7.579 7.579 7.028 0.551 RESID 272 (I): N 0.000 0.000 120.499 -120.499 RESID 272 (I): C 178.300 178.300 176.962 1.338 RESID 272 (I): CA 63.880 63.880 64.667 -0.787 RESID 272 (I): CB 35.710 35.710 38.132 -2.421 RESID 272 (I): H 7.340 7.340 8.400 -1.060 RESID 273 (Y): N 116.300 116.300 116.976 -0.676 RESID 273 (Y): C 177.000 177.000 176.796 0.204 RESID 273 (Y): CA 61.100 61.100 58.254 2.846 RESID 273 (Y): CB 37.770 37.770 35.829 1.941 RESID 273 (Y): H 7.509 7.509 7.295 0.214 RESID 274 (A): N 118.600 118.600 121.875 -3.275 RESID 274 (A): C 177.200 177.200 177.186 0.014 RESID 274 (A): CA 52.030 52.030 53.015 -0.985 RESID 274 (A): CB 19.580 19.580 19.401 0.179 RESID 274 (A): H 7.495 7.495 7.828 -0.333 RESID 275 (N): N 119.900 119.900 118.223 1.677 RESID 275 (N): C 175.700 175.700 174.010 1.690 RESID 275 (N): CA 51.030 51.030 51.407 -0.377 RESID 275 (N): CB 38.590 38.590 37.034 1.556 RESID 275 (N): H 7.200 7.200 7.967 -0.767 RESID 276 (P): C 178.900 178.900 178.487 0.413 RESID 276 (P): CA 65.190 65.190 65.440 -0.250 RESID 276 (P): CB 32.440 32.440 32.042 0.398 RESID 277 (L): N 116.700 116.700 117.435 -0.735 RESID 277 (L): C 178.000 178.000 178.876 -0.876 RESID 277 (L): CA 56.630 56.630 57.542 -0.912 RESID 277 (L): CB 41.720 41.720 41.505 0.215 RESID 277 (L): H 7.777 7.777 7.925 -0.148 RESID 278 (L): N 115.100 115.100 116.565 -1.465 RESID 278 (L): C 176.600 176.600 177.854 -1.254 RESID 278 (L): CA 53.200 53.200 54.906 -1.706 RESID 278 (L): CB 40.960 40.960 41.317 -0.357 RESID 278 (L): H 7.485 7.485 7.683 -0.198 RESID 279 (A): N 118.600 118.600 123.111 -4.511 RESID 279 (A): C 177.700 177.700 177.812 -0.112 RESID 279 (A): CA 55.090 55.090 54.367 0.723 RESID 279 (A): CB 19.710 19.710 18.606 1.104 RESID 279 (A): H 6.665 6.665 7.882 -1.217 RESID 280 (H): N 111.600 111.600 115.296 -3.696 RESID 280 (H): C 175.500 175.500 175.209 0.291 RESID 280 (H): CA 55.360 55.360 56.242 -0.882 RESID 280 (H): CB 29.540 29.540 28.642 0.898 RESID 280 (H): H 8.337 8.337 8.200 0.137 RESID 281 (L): N 124.100 124.100 122.555 1.545 RESID 281 (L): C 176.300 176.300 175.880 0.420 RESID 281 (L): CA 53.330 53.330 52.980 0.350 RESID 281 (L): CB 40.490 40.490 41.925 -1.435 RESID 281 (L): H 7.289 7.289 7.443 -0.154 RESID 282 (P): C 178.200 178.200 178.386 -0.186 RESID 282 (P): CA 66.050 66.050 65.709 0.341 RESID 282 (P): CB 32.150 32.150 31.710 0.440 RESID 283 (A): N 116.000 116.000 119.141 -3.141 RESID 283 (A): C 179.000 179.000 179.846 -0.846 RESID 283 (A): CA 55.630 55.630 55.190 0.440 RESID 283 (A): CB 19.490 19.490 18.186 1.304 RESID 283 (A): H 7.969 7.969 8.424 -0.455 RESID 284 (V): N 115.200 115.200 118.512 -3.312 RESID 284 (V): C 180.000 180.000 178.926 1.074 RESID 284 (V): CA 65.640 65.640 65.888 -0.248 RESID 284 (V): CB 32.560 32.560 30.828 1.732 RESID 284 (V): H 6.557 6.557 7.680 -1.123 RESID 285 (Q): N 121.200 121.200 120.450 0.750 RESID 285 (Q): C 178.000 178.000 177.656 0.344 RESID 285 (Q): CA 59.500 59.500 58.803 0.697 RESID 285 (Q): CB 29.080 29.080 28.604 0.476 RESID 285 (Q): H 8.581 8.581 7.841 0.740 RESID 286 (N): N 112.600 112.600 113.973 -1.373 RESID 286 (N): C 174.500 174.500 173.858 0.642 RESID 286 (N): CA 53.160 53.160 52.730 0.430 RESID 286 (N): CB 38.390 38.390 38.745 -0.355 RESID 286 (N): H 8.117 8.117 8.030 0.087 RESID 287 (K): N 118.500 118.500 116.373 2.127 RESID 287 (K): C 176.100 176.100 175.877 0.223 RESID 287 (K): CA 57.540 57.540 57.202 0.338 RESID 287 (K): CB 28.570 28.570 29.453 -0.883 RESID 287 (K): H 7.724 7.724 7.704 0.020 RESID 288 (Q): N 119.700 119.700 116.590 3.110 RESID 288 (Q): C 173.700 173.700 173.935 -0.235 RESID 288 (Q): CA 52.970 52.970 54.728 -1.758 RESID 288 (Q): CB 28.640 28.640 29.095 -0.455 RESID 288 (Q): H 8.895 8.895 8.362 0.533 RESID 289 (V): N 119.200 119.200 118.627 0.573 RESID 289 (V): C 175.100 175.100 175.031 0.069 RESID 289 (V): CA 61.600 61.600 60.729 0.871 RESID 289 (V): CB 32.610 32.610 34.002 -1.391 RESID 289 (V): H 6.246 6.246 7.313 -1.067 RESID 290 (Y): N 125.700 125.700 125.243 0.457 RESID 290 (Y): C 174.100 174.100 174.208 -0.108 RESID 290 (Y): CA 56.830 56.830 56.822 0.008 RESID 290 (Y): CB 40.950 40.950 42.720 -1.770 RESID 290 (Y): H 8.682 8.682 9.132 -0.450 RESID 291 (A): N 126.900 126.900 121.985 4.915 RESID 291 (A): C 178.300 178.300 176.793 1.507 RESID 291 (A): CA 51.560 51.560 50.355 1.205 RESID 291 (A): CB 19.670 19.670 21.255 -1.585 RESID 291 (A): H 9.057 9.057 8.650 0.407 RESID 292 (L): N 120.800 120.800 119.778 1.022 RESID 292 (L): C 175.500 175.500 176.231 -0.731 RESID 292 (L): CA 54.880 54.880 54.239 0.641 RESID 292 (L): CB 42.490 42.490 42.274 0.216 RESID 292 (L): H 8.342 8.342 8.928 -0.586 RESID 293 (G): N 107.500 107.500 103.869 3.631 RESID 293 (G): C 177.600 177.600 174.157 3.443 RESID 293 (G): CA 45.110 45.110 44.433 0.677 RESID 293 (G): H 7.973 7.973 7.392 0.581 RESID 294 (T): N 117.800 117.800 116.770 1.030 RESID 294 (T): C 176.400 176.400 176.022 0.378 RESID 294 (T): CA 65.260 65.260 65.248 0.012 RESID 294 (T): CB 68.310 68.310 69.147 -0.837 RESID 294 (T): H 8.808 8.808 8.583 0.225 RESID 295 (E): N 122.100 122.100 120.614 1.486 RESID 295 (E): C 177.700 177.700 176.753 0.947 RESID 295 (E): CA 58.540 58.540 58.355 0.185 RESID 295 (E): CB 29.010 29.010 28.811 0.200 RESID 295 (E): H 10.380 10.380 8.781 1.599 RESID 296 (T): N 103.000 103.000 108.477 -5.477 RESID 296 (T): C 173.600 173.600 174.314 -0.714 RESID 296 (T): CA 62.320 62.320 61.406 0.914 RESID 296 (T): CB 69.170 69.170 67.781 1.389 RESID 296 (T): H 7.062 7.062 7.987 -0.925 RESID 297 (F): N 121.500 121.500 123.032 -1.532 RESID 297 (F): C 174.500 174.500 175.892 -1.392 RESID 297 (F): CA 61.700 61.700 61.013 0.687 RESID 297 (F): CB 39.640 39.640 39.797 -0.157 RESID 297 (F): H 8.108 8.108 7.809 0.299 RESID 298 (R): N 116.800 116.800 119.656 -2.856 RESID 298 (R): C 176.000 176.000 175.111 0.889 RESID 298 (R): CA 54.160 54.160 55.792 -1.632 RESID 298 (R): CB 32.460 32.460 31.150 1.310 RESID 298 (R): H 7.552 7.552 8.258 -0.706 RESID 299 (L): N 125.500 125.500 126.322 -0.822 RESID 299 (L): C 174.800 174.800 174.366 0.434 RESID 299 (L): CA 54.300 54.300 54.244 0.056 RESID 299 (L): CB 41.670 41.670 43.893 -2.223 RESID 299 (L): H 8.903 8.903 8.441 0.462 RESID 300 (D): N 124.600 124.600 123.871 0.729 RESID 300 (D): C 173.400 173.400 175.601 -2.201 RESID 300 (D): CA 51.880 51.880 53.299 -1.419 RESID 300 (D): CB 43.230 43.230 42.663 0.567 RESID 300 (D): H 7.735 7.735 8.724 -0.989 RESID 301 (Y): N 118.100 118.100 121.450 -3.350 RESID 301 (Y): C 175.300 175.300 176.192 -0.892 RESID 301 (Y): CA 61.650 61.650 63.315 -1.665 RESID 301 (Y): CB 38.740 38.740 38.723 0.017 RESID 301 (Y): H 7.943 7.943 9.015 -1.072 RESID 302 (Y): N 112.300 112.300 115.959 -3.659 RESID 302 (Y): C 180.800 180.800 177.721 3.079 RESID 302 (Y): CA 61.970 61.970 60.891 1.079 RESID 302 (Y): CB 37.990 37.990 38.104 -0.114 RESID 302 (Y): H 7.309 7.309 8.092 -0.783 RESID 303 (S): N 119.100 119.100 115.481 3.619 RESID 303 (S): C 176.300 176.300 176.568 -0.268 RESID 303 (S): CA 60.690 60.690 61.300 -0.610 RESID 303 (S): CB 63.180 63.180 62.987 0.193 RESID 303 (S): H 9.411 9.411 9.503 -0.092 RESID 304 (A): N 126.900 126.900 125.600 1.300 RESID 304 (A): C 180.400 180.400 179.445 0.955 RESID 304 (A): CA 56.000 56.000 54.933 1.067 RESID 304 (A): CB 18.040 18.040 17.953 0.087 RESID 304 (A): H 8.860 8.860 7.860 1.000 RESID 305 (M): N 116.600 116.600 118.028 -1.428 RESID 305 (M): C 179.300 179.300 178.886 0.414 RESID 305 (M): CA 57.880 57.880 59.772 -1.892 RESID 305 (M): CB 31.350 31.350 32.388 -1.038 RESID 305 (M): H 7.346 7.346 7.503 -0.157 RESID 306 (Q): N 119.300 119.300 118.810 0.490 RESID 306 (Q): C 179.000 179.000 178.840 0.160 RESID 306 (Q): CA 59.410 59.410 58.886 0.524 RESID 306 (Q): CB 28.450 28.450 28.824 -0.374 RESID 306 (Q): H 7.633 7.633 7.870 -0.237 RESID 308 (L): C 178.700 178.700 178.480 0.220 RESID 308 (L): CA 58.690 58.690 58.407 0.283 RESID 308 (L): CB 41.790 41.790 41.381 0.409 RESID 309 (D): N 119.100 119.100 119.115 -0.015 RESID 309 (D): C 179.600 179.600 178.886 0.714 RESID 309 (D): CA 57.830 57.830 57.571 0.259 RESID 309 (D): CB 40.820 40.820 40.324 0.496 RESID 309 (D): H 7.984 7.984 8.059 -0.075 RESID 310 (R): N 121.700 121.700 120.593 1.107 RESID 310 (R): C 178.900 178.900 178.727 0.173 RESID 310 (R): CA 58.590 58.590 59.191 -0.601 RESID 310 (R): CB 29.820 29.820 30.149 -0.329 RESID 310 (R): H 8.463 8.463 7.601 0.862 RESID 311 (L): N 119.200 119.200 119.939 -0.739 RESID 311 (L): C 178.800 178.800 178.737 0.063 RESID 311 (L): CA 58.380 58.380 58.114 0.267 RESID 311 (L): CB 42.340 42.340 41.834 0.506 RESID 311 (L): H 8.489 8.489 8.306 0.183 RESID 312 (K): N 116.500 116.500 118.756 -2.256 RESID 312 (K): C 178.000 178.000 178.419 -0.419 RESID 312 (K): CA 59.250 59.250 59.181 0.069 RESID 312 (K): CB 32.440 32.440 32.497 -0.057 RESID 312 (K): H 7.955 7.955 8.216 -0.261 RESID 313 (A): N 119.500 119.500 120.790 -1.290 RESID 313 (A): C 180.000 180.000 178.666 1.334 RESID 313 (A): CA 53.920 53.920 53.312 0.607 RESID 313 (A): CB 18.800 18.800 19.244 -0.444 RESID 313 (A): H 7.427 7.427 7.751 -0.324 RESID 314 (L): N 119.500 119.500 119.129 0.371 RESID 314 (L): C 177.400 177.400 176.437 0.963 RESID 314 (L): CA 56.770 56.770 57.228 -0.458 RESID 314 (L): CB 43.730 43.730 42.346 1.384 RESID 314 (L): H 7.431 7.431 8.135 -0.704 N HA C CA CB H RESID 26 (W): -3.381 ----- -0.875 0.410 3.285 0.093 RESID 27 (P): ----- ----- -0.004 -0.303 4.940 ----- RESID 28 (R): -3.871 ----- -1.396 0.731 0.761 0.073 RESID 29 (Q): -0.843 ----- 0.586 -1.261 1.445 -0.075 RESID 30 (I): -1.753 ----- 0.578 -0.921 -0.518 1.077 RESID 31 (T): 3.237 ----- 0.728 -1.310 1.051 0.590 RESID 32 (D): 5.740 ----- 1.414 0.786 -0.471 1.409 RESID 33 (S): -4.449 ----- -0.561 0.382 -0.375 -0.221 RESID 34 (R): -2.384 ----- -0.633 -3.661 0.182 0.466 RESID 35 (G): 5.184 ----- -2.250 -0.497 ----- -0.755 RESID 36 (T): 0.145 ----- 0.783 0.023 -0.088 0.582 RESID 37 (H): 0.487 ----- 0.721 -1.268 -2.033 0.363 RESID 38 (T): 4.518 ----- 1.397 2.123 -1.252 1.623 RESID 39 (L): 7.216 ----- 0.100 0.511 -0.917 0.474 RESID 40 (E): -1.655 ----- -0.322 0.300 0.486 0.135 RESID 41 (S): -1.848 ----- -1.489 -0.873 0.601 -0.158 RESID 42 (Q): 3.287 ----- -0.151 -2.034 0.552 -1.269 RESID 43 (P): ----- ----- -0.342 0.790 0.092 ----- RESID 44 (Q): 2.590 ----- -0.609 -1.500 2.856 2.635 RESID 45 (R): 8.281 ----- 0.494 0.095 -0.033 2.460 RESID 47 (V): ----- ----- 0.333 -0.265 -0.153 ----- RESID 48 (S): -1.891 ----- 1.879 -1.858 -1.121 -0.649 RESID 49 (T): 4.135 ----- -3.004 0.928 -0.356 -0.366 RESID 50 (S): -0.544 ----- -0.690 -2.388 -0.304 -0.073 RESID 51 (V): 5.159 ----- -2.816 -0.128 -0.081 0.094 RESID 52 (T): 0.166 ----- 3.173 1.022 0.536 -0.153 RESID 53 (L): 1.123 ----- 0.293 -0.762 0.801 -0.534 RESID 54 (T): 1.774 ----- -1.730 -0.657 ----- -0.087 RESID 55 (G): -3.995 ----- -0.481 0.210 ----- -1.328 RESID 56 (S): -1.000 ----- -1.259 1.844 2.206 -1.263 RESID 58 (L): ----- ----- 1.790 -0.267 -0.117 ----- RESID 59 (A): -0.768 ----- -0.266 0.744 -0.293 -0.290 RESID 60 (I): ----- ----- -1.552 0.138 0.452 ----- RESID 61 (D): -2.449 ----- 0.237 0.053 -0.022 -0.004 RESID 62 (A): -3.204 ----- 2.707 -0.820 -1.672 0.110 RESID 63 (P): ----- ----- -2.102 0.635 -4.706 ----- RESID 64 (V): 3.684 ----- -0.904 -1.460 -0.748 0.438 RESID 65 (I): -4.469 ----- 1.544 -3.018 1.264 0.261 RESID 66 (A): 4.247 ----- -0.139 0.687 1.443 -0.424 RESID 67 (S): -5.072 ----- 2.269 -2.072 -2.435 0.236 RESID 68 (G): 5.653 ----- -1.603 2.056 ----- -1.100 RESID 69 (A): -3.617 ----- 2.733 -1.140 2.069 -0.820 RESID 70 (T): 5.731 ----- -2.711 -3.125 1.079 1.111 RESID 71 (T): -5.289 ----- -0.411 0.055 1.547 -0.780 RESID 72 (P): ----- ----- 0.974 -0.155 0.727 ----- RESID 73 (N): -4.663 ----- -1.615 0.758 -1.465 -0.707 RESID 74 (N): ----- ----- -1.158 5.015 0.352 ----- RESID 75 (R): -6.306 ----- -0.164 1.083 1.055 -0.286 RESID 76 (V): -10.294 ----- 0.047 -2.937 2.026 -0.833 RESID 77 (A): 5.881 ----- -1.079 -1.040 5.117 0.718 RESID 78 (D): 1.822 ----- 2.217 -0.932 0.374 0.433 RESID 79 (D): 0.880 ----- 0.285 1.078 0.892 -0.146 RESID 80 (Q): -4.317 ----- -1.180 -1.523 2.401 -0.180 RESID 81 (G): 0.020 ----- 0.844 0.956 ----- -0.640 RESID 82 (F): 0.580 ----- -0.448 -4.242 -2.614 0.296 RESID 83 (L): ----- ----- 0.946 0.320 -3.472 ----- RESID 84 (R): 0.346 ----- 0.782 3.501 1.647 -0.694 RESID 85 (Q): -2.629 ----- -2.687 0.216 -3.179 1.878 RESID 86 (W): -6.361 ----- -1.855 -5.127 -2.165 -1.967 RESID 87 (S): 3.901 ----- 1.476 0.428 ----- -1.264 RESID 88 (K): -3.885 ----- 0.162 0.471 -0.084 0.940 RESID 89 (V): 6.384 ----- 0.797 0.109 0.508 -0.595 RESID 90 (A): -0.473 ----- 1.054 1.318 1.304 0.649 RESID 91 (K): -0.413 ----- 3.007 0.995 -0.020 -0.288 RESID 92 (E): 5.012 ----- 1.494 2.233 -0.650 0.475 RESID 93 (R): -3.068 ----- 0.331 0.790 -1.523 -0.261 RESID 94 (K): 1.071 ----- 0.589 -0.644 -1.462 -0.708 RESID 95 (L): -1.859 ----- 0.352 0.948 1.141 0.054 RESID 96 (Q): 0.567 ----- -1.202 0.648 0.287 -0.881 RESID 97 (R): 6.435 ----- 0.588 -0.990 1.625 0.505 RESID 98 (L): 3.460 ----- -0.421 2.385 3.376 -0.437 RESID 99 (Y): -1.991 ----- -1.398 -0.838 -0.961 -1.359 RESID 100 (I): -4.368 ----- -0.305 -1.450 3.113 -0.114 RESID 101 (G): 1.023 ----- -0.615 2.221 ----- -0.246 RESID 102 (E): 10.911 ----- -0.767 0.479 2.041 0.293 RESID 103 (P): ----- ----- -0.834 -1.371 -0.094 ----- RESID 104 (S): -5.195 ----- 0.165 -3.166 -0.064 -2.565 RESID 105 (A): 0.252 ----- 0.351 0.761 -0.904 0.333 RESID 106 (E): 0.356 ----- 0.444 1.240 -0.471 0.143 RESID 107 (A): -0.483 ----- 0.274 -0.338 0.770 -0.139 RESID 108 (V): -2.268 ----- -0.810 1.169 0.109 -0.469 RESID 109 (A): -1.629 ----- 1.863 0.549 -0.108 0.135 RESID 110 (A): -0.755 ----- 0.268 -0.241 -0.028 -0.318 RESID 111 (Q): -1.090 ----- -1.041 0.887 -0.215 -0.286 RESID 112 (M): -6.167 ----- 0.059 0.373 -1.438 -0.052 RESID 113 (P): ----- ----- 0.453 0.218 0.392 ----- RESID 114 (D): -2.240 ----- -0.079 -2.077 -1.859 0.616 RESID 115 (L): ----- ----- 0.612 -1.407 ----- ----- RESID 116 (I): -2.818 ----- ----- -0.105 ----- 1.332 RESID 118 (I): ----- ----- -0.978 0.429 1.011 ----- RESID 119 (S): 0.426 ----- 0.586 -0.592 0.683 1.040 RESID 120 (A): 1.562 ----- -0.479 -0.051 1.518 -0.500 RESID 121 (T): -4.137 ----- -0.107 -2.452 1.599 -0.215 RESID 122 (G): -6.455 ----- 3.074 -0.771 ----- 0.156 RESID 123 (G): ----- ----- -0.211 1.045 ----- ----- RESID 124 (D): -2.416 ----- 0.966 -0.595 0.051 0.826 RESID 125 (S): -4.106 ----- 1.654 0.047 0.146 -1.107 RESID 126 (A): 4.727 ----- -1.954 -2.351 -2.233 0.257 RESID 127 (L): -0.029 ----- 0.538 1.483 1.236 -0.800 RESID 128 (A): 3.397 ----- 0.738 0.809 -0.492 1.287 RESID 129 (L): 0.611 ----- -0.892 -1.264 -0.381 0.364 RESID 130 (Y): -0.900 ----- 0.304 1.528 1.047 -1.087 RESID 131 (D): 1.148 ----- -0.098 0.609 0.298 0.920 RESID 132 (Q): -0.990 ----- 0.281 0.189 0.582 -0.146 RESID 133 (L): -0.334 ----- -0.715 0.323 -0.815 -0.462 RESID 134 (S): -3.205 ----- -0.503 0.320 0.792 -0.333 RESID 135 (T): -5.242 ----- -1.177 -2.042 0.657 -0.639 RESID 136 (I): 3.954 ----- 0.241 -0.045 0.348 0.418 RESID 137 (A): 1.946 ----- -1.610 -0.136 -0.150 -0.479 RESID 138 (P): ----- ----- -1.446 1.235 -0.242 ----- RESID 139 (T): 2.082 ----- -0.035 -1.298 1.976 -0.005 RESID 140 (L): ----- ----- 0.586 -0.781 0.667 ----- RESID 141 (I): -2.274 ----- 1.121 -0.994 1.107 1.435 RESID 142 (I): 1.951 ----- 0.238 -1.960 -2.275 0.178 RESID 143 (N): 5.032 ----- 0.433 -1.847 0.044 0.737 RESID 144 (Y): -5.494 ----- 1.785 -3.559 -0.289 0.318 RESID 145 (D): 0.802 ----- 1.730 -0.177 3.345 0.432 RESID 146 (D): 3.820 ----- -0.069 -0.350 -1.614 -1.073 RESID 147 (K): -5.715 ----- -0.274 -1.532 -1.809 -0.550 RESID 148 (S): -0.480 ----- -0.386 -0.072 0.739 0.212 RESID 149 (W): 1.630 ----- 2.039 1.301 -0.733 -0.139 RESID 150 (Q): 3.185 ----- 0.270 3.371 -1.198 1.605 RESID 151 (S): 1.116 ----- 0.592 0.504 0.593 0.094 RESID 152 (L): 2.429 ----- 0.553 0.378 0.295 0.055 RESID 153 (L): 0.550 ----- 1.021 1.413 -0.108 0.917 RESID 154 (T): 3.463 ----- 0.302 1.304 0.525 0.131 RESID 155 (Q): 3.454 ----- 1.160 1.350 0.248 0.257 RESID 156 (L): ----- ----- 1.625 0.618 -0.129 ----- RESID 157 (G): 5.802 ----- -0.547 1.800 ----- 1.198 RESID 158 (E): 4.806 ----- 0.611 1.235 0.298 0.013 RESID 160 (T): ----- ----- 2.302 -1.182 2.594 ----- RESID 161 (G): -0.313 ----- 0.435 1.234 ----- -0.890 RESID 162 (H): 4.957 ----- -2.163 -0.462 -2.961 0.672 RESID 163 (E): 1.733 ----- 2.317 1.405 -0.428 1.508 RESID 164 (K): 0.208 ----- -0.088 -0.462 0.305 0.397 RESID 165 (Q): 2.188 ----- 0.665 2.022 -0.262 -0.489 RESID 166 (A): -1.328 ----- -1.431 1.321 0.225 -0.141 RESID 167 (A): -3.052 ----- 1.889 -0.163 -0.308 -1.122 RESID 168 (E): 1.536 ----- 0.469 -0.001 0.453 0.318 RESID 170 (I): ----- ----- -0.005 1.581 1.351 ----- RESID 171 (A): -2.500 ----- 1.368 -0.360 0.148 -0.778 RESID 172 (Q): 2.546 ----- 0.614 0.698 -0.258 0.635 RESID 173 (F): -0.072 ----- -1.018 1.611 0.359 -0.314 RESID 174 (D): 0.859 ----- 1.409 0.542 -0.098 -0.279 RESID 175 (K): 1.061 ----- 1.162 -0.018 0.310 -0.095 RESID 176 (Q): 2.088 ----- 0.770 -0.481 -0.533 0.338 RESID 177 (L): 6.006 ----- -0.279 2.657 -0.168 1.199 RESID 178 (A): -1.061 ----- 1.369 0.195 0.085 -0.558 RESID 179 (A): -0.809 ----- 0.717 0.334 -0.404 0.039 RESID 180 (A): 0.002 ----- 0.096 0.746 -0.267 0.176 RESID 181 (K): 0.179 ----- -0.099 0.630 0.702 0.042 RESID 182 (E): -2.138 ----- -0.130 0.758 1.085 -0.575 RESID 183 (Q): -0.691 ----- 1.028 0.240 0.414 -0.183 RESID 184 (I): 1.926 ----- 0.964 3.256 0.346 0.295 RESID 185 (K): 4.757 ----- -0.026 -0.573 -2.912 0.837 RESID 186 (L): -1.039 ----- -0.216 2.353 0.372 -0.426 RESID 188 (P): ----- ----- -1.454 1.467 1.008 ----- RESID 189 (Q): 0.291 ----- 1.858 -2.387 0.958 -0.161 RESID 190 (P): ----- ----- -0.072 0.348 2.630 ----- RESID 191 (V): -8.964 ----- 0.331 0.215 0.350 0.737 RESID 192 (T): 7.364 ----- 0.209 3.505 0.294 0.137 RESID 193 (A): 9.904 ----- -0.006 -0.544 -0.309 1.607 RESID 194 (I): -2.090 ----- 2.879 -0.437 1.813 0.737 RESID 195 (V): -4.322 ----- 2.128 1.810 0.184 -0.156 RESID 196 (Y): 2.710 ----- 0.548 -0.412 1.057 1.013 RESID 197 (T): 1.489 ----- 0.929 0.122 -3.040 0.426 RESID 198 (A): -0.387 ----- 1.325 1.213 0.109 -0.303 RESID 199 (A): -4.652 ----- -1.044 -0.477 0.333 0.321 RESID 200 (A): -3.869 ----- -0.620 -0.823 1.336 -1.442 RESID 201 (H): 0.562 ----- -0.490 0.398 -0.440 -0.145 RESID 202 (S): -4.031 ----- 0.040 -1.069 -0.142 -0.695 RESID 203 (A): -2.946 ----- -0.393 -0.533 2.271 0.310 RESID 204 (N): 0.042 ----- -0.182 -0.563 -2.045 0.117 RESID 205 (L): 5.368 ----- 0.112 0.843 1.567 1.649 RESID 206 (W): 1.614 ----- 0.653 -0.766 -1.132 0.620 RESID 207 (T): 1.789 ----- 2.821 0.889 -1.859 -0.111 RESID 208 (P): ----- ----- -0.844 0.740 -0.216 ----- RESID 209 (E): -2.764 ----- 0.288 0.071 -0.394 -0.359 RESID 210 (S): 0.657 ----- -1.625 -1.080 2.842 0.221 RESID 211 (A): -2.311 ----- 0.749 0.110 -0.234 -0.153 RESID 212 (Q): 0.542 ----- -0.902 2.434 -0.316 0.016 RESID 213 (G): -0.181 ----- -0.929 0.678 ----- -0.267 RESID 214 (Q): -0.743 ----- 0.621 0.299 0.419 0.418 RESID 215 (M): -1.480 ----- -0.368 0.105 -0.783 -0.331 RESID 216 (L): -2.998 ----- 0.871 0.501 -1.440 -0.494 RESID 217 (E): 1.319 ----- 2.901 1.266 -0.268 0.208 RESID 218 (Q): 5.164 ----- -0.779 0.968 -0.262 0.529 RESID 219 (L): 0.700 ----- -2.262 -1.350 1.458 -0.337 RESID 220 (G): 1.931 ----- 1.801 0.051 ----- -0.406 RESID 221 (F): 0.411 ----- 1.122 1.913 -3.661 0.215 RESID 222 (T): 1.460 ----- 0.406 0.518 1.763 0.221 RESID 223 (L): 1.298 ----- 1.654 1.367 -1.168 1.060 RESID 224 (A): -1.266 ----- 1.538 1.481 -2.188 0.959 RESID 225 (K): 2.203 ----- 0.604 0.008 0.197 0.236 RESID 226 (L): -1.832 ----- -0.104 -0.508 0.474 0.116 RESID 227 (P): ----- ----- -0.266 -0.042 0.180 ----- RESID 228 (A): 0.056 ----- 1.040 0.734 0.007 -0.097 RESID 229 (G): 0.212 ----- -0.983 0.617 ----- 0.471 RESID 230 (L): -1.192 ----- -1.455 0.083 0.967 -0.418 RESID 231 (N): -0.425 ----- -0.608 -2.483 0.941 0.172 RESID 232 (A): 4.955 ----- 0.044 1.417 1.298 0.165 RESID 233 (S): -0.023 ----- -0.478 -1.706 0.944 -0.269 RESID 234 (Q): 1.437 ----- 0.716 0.171 -1.325 0.434 RESID 235 (S): -0.996 ----- 0.268 0.043 1.616 -0.211 RESID 236 (Q): -4.843 ----- 1.260 1.119 1.633 -0.490 RESID 237 (G): 1.374 ----- 1.140 0.242 ----- 0.801 RESID 238 (K): -0.999 ----- 1.101 0.502 0.561 -0.389 RESID 239 (R): -4.057 ----- ----- 0.180 0.661 -0.344 RESID 240 (H): ----- ----- -1.745 -2.880 -0.302 ----- RESID 241 (D): 0.575 ----- -1.579 -0.510 -0.678 0.656 RESID 242 (I): 0.248 ----- 1.215 -0.293 2.752 -0.323 RESID 243 (I): -0.899 ----- 1.032 -0.313 2.938 0.209 RESID 244 (Q): 0.876 ----- 1.038 1.538 -0.015 0.172 RESID 245 (L): 1.994 ----- -0.427 0.684 0.255 0.282 RESID 246 (G): 4.655 ----- -0.120 -0.426 ----- -0.016 RESID 247 (G): -0.126 ----- 1.817 3.163 ----- 0.925 RESID 248 (E): 2.591 ----- 0.756 1.058 0.023 0.459 RESID 249 (N): 0.412 ----- -0.499 -0.251 0.743 0.444 RESID 250 (L): 1.134 ----- -0.996 1.796 0.769 -0.704 RESID 251 (A): -5.052 ----- 1.336 0.685 -0.428 -0.170 RESID 252 (A): -1.189 ----- 0.780 1.616 -0.003 -1.036 RESID 253 (G): -7.301 ----- -2.090 0.359 ----- 0.032 RESID 254 (L): 1.971 ----- -2.277 -1.853 -3.023 -0.579 RESID 255 (N): -7.720 ----- 0.348 -0.547 -1.227 -1.141 RESID 256 (G): 2.450 ----- -2.384 0.455 ----- -0.696 RESID 257 (E): 1.285 ----- 1.312 1.246 -0.817 -0.192 RESID 258 (S): -6.209 ----- 0.083 -0.529 2.566 -0.840 RESID 259 (L): -2.696 ----- -2.549 -0.719 3.830 0.926 RESID 260 (F): 0.741 ----- -1.819 1.550 1.037 1.146 RESID 261 (L): 3.738 ----- 0.534 0.817 -4.033 0.852 RESID 262 (F): 1.555 ----- -0.309 1.942 1.434 0.254 RESID 263 (A): -2.181 ----- -1.729 0.948 2.891 0.642 RESID 264 (G): -7.036 ----- -1.633 0.501 ----- -1.106 RESID 265 (D): -0.351 ----- 0.025 -1.130 0.600 0.922 RESID 266 (Q): -1.234 ----- 0.152 -0.450 -0.158 -0.328 RESID 267 (K): -1.091 ----- 2.313 -0.172 -0.343 -0.038 RESID 268 (D): 1.955 ----- -0.939 1.002 1.299 -0.479 RESID 269 (A): 0.217 ----- 0.590 0.718 -0.706 -0.253 RESID 270 (D): 0.194 ----- 2.795 1.279 -0.383 0.773 RESID 271 (A): 3.001 ----- 1.475 1.479 -1.010 0.551 RESID 272 (I): -120.499 ----- 1.338 -0.787 -2.421 -1.060 RESID 273 (Y): -0.676 ----- 0.204 2.846 1.941 0.214 RESID 274 (A): -3.275 ----- 0.014 -0.985 0.179 -0.333 RESID 275 (N): 1.677 ----- 1.690 -0.377 1.556 -0.767 RESID 276 (P): ----- ----- 0.413 -0.250 0.398 ----- RESID 277 (L): -0.735 ----- -0.876 -0.912 0.215 -0.148 RESID 278 (L): -1.465 ----- -1.254 -1.706 -0.357 -0.198 RESID 279 (A): -4.511 ----- -0.112 0.723 1.104 -1.217 RESID 280 (H): -3.696 ----- 0.291 -0.882 0.898 0.137 RESID 281 (L): 1.545 ----- 0.420 0.350 -1.435 -0.154 RESID 282 (P): ----- ----- -0.186 0.341 0.440 ----- RESID 283 (A): -3.141 ----- -0.846 0.440 1.304 -0.455 RESID 284 (V): -3.312 ----- 1.074 -0.248 1.732 -1.123 RESID 285 (Q): 0.750 ----- 0.344 0.697 0.476 0.740 RESID 286 (N): -1.373 ----- 0.642 0.430 -0.355 0.087 RESID 287 (K): 2.127 ----- 0.223 0.338 -0.883 0.020 RESID 288 (Q): 3.110 ----- -0.235 -1.758 -0.455 0.533 RESID 289 (V): 0.573 ----- 0.069 0.871 -1.391 -1.067 RESID 290 (Y): 0.457 ----- -0.108 0.008 -1.770 -0.450 RESID 291 (A): 4.915 ----- 1.507 1.205 -1.585 0.407 RESID 292 (L): 1.022 ----- -0.731 0.641 0.216 -0.586 RESID 293 (G): 3.631 ----- 3.443 0.677 ----- 0.581 RESID 294 (T): 1.030 ----- 0.378 0.012 -0.837 0.225 RESID 295 (E): 1.486 ----- 0.947 0.185 0.200 1.599 RESID 296 (T): -5.477 ----- -0.714 0.914 1.389 -0.925 RESID 297 (F): -1.532 ----- -1.392 0.687 -0.157 0.299 RESID 298 (R): -2.856 ----- 0.889 -1.632 1.310 -0.706 RESID 299 (L): -0.822 ----- 0.434 0.056 -2.223 0.462 RESID 300 (D): 0.729 ----- -2.201 -1.419 0.567 -0.989 RESID 301 (Y): -3.350 ----- -0.892 -1.665 0.017 -1.072 RESID 302 (Y): -3.659 ----- 3.079 1.079 -0.114 -0.783 RESID 303 (S): 3.619 ----- -0.268 -0.610 0.193 -0.092 RESID 304 (A): 1.300 ----- 0.955 1.067 0.087 1.000 RESID 305 (M): -1.428 ----- 0.414 -1.892 -1.038 -0.157 RESID 306 (Q): 0.490 ----- 0.160 0.524 -0.374 -0.237 RESID 308 (L): ----- ----- 0.220 0.283 0.409 ----- RESID 309 (D): -0.015 ----- 0.714 0.259 0.496 -0.075 RESID 310 (R): 1.107 ----- 0.173 -0.601 -0.329 0.862 RESID 311 (L): -0.739 ----- 0.063 0.267 0.506 0.183 RESID 312 (K): -2.256 ----- -0.419 0.069 -0.057 -0.261 RESID 313 (A): -1.290 ----- 1.334 0.607 -0.444 -0.324 RESID 314 (L): 0.371 ----- 0.963 -0.458 1.384 -0.704 DATA CS_STAT_INFO N RMS: 8.228 ppm Count: 256 Average Difference: 0.481 +/- 8.230 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.221 ppm Count: 281 Average Difference: -0.161 +/- 1.213 ppm DATA CS_STAT_INFO CA RMS: 1.339 ppm Count: 283 Average Difference: -0.103 +/- 1.338 ppm DATA CS_STAT_INFO CB RMS: 1.417 ppm Count: 260 Average Difference: -0.158 +/- 1.411 ppm DATA CS_STAT_INFO HN RMS: 0.721 ppm Count: 256 Average Difference: -0.018 +/- 0.723 ppm ############################################################################ For conformer 11: Atom Original Corrected SPARTA Difference RESID 25 (D): N 120.600 120.600 120.680 -0.080 RESID 25 (D): C 174.400 174.400 175.909 -1.509 RESID 25 (D): CA 55.230 55.230 53.062 2.168 RESID 25 (D): CB 41.340 41.340 41.907 -0.568 RESID 25 (D): H 8.275 8.275 8.214 0.061 RESID 26 (W): N 120.100 120.100 123.518 -3.418 RESID 26 (W): C 174.200 174.200 175.080 -0.880 RESID 26 (W): CA 55.330 55.330 54.997 0.333 RESID 26 (W): CB 31.090 31.090 27.850 3.240 RESID 26 (W): H 7.788 7.788 7.536 0.252 RESID 27 (P): C 175.900 175.900 175.924 -0.024 RESID 27 (P): CA 62.800 62.800 63.082 -0.282 RESID 27 (P): CB 37.260 37.260 32.333 4.927 RESID 28 (R): N 118.000 118.000 121.787 -3.787 RESID 28 (R): C 173.700 173.700 175.126 -1.426 RESID 28 (R): CA 55.160 55.160 54.423 0.737 RESID 28 (R): CB 33.430 33.430 32.662 0.768 RESID 28 (R): H 8.686 8.686 8.589 0.097 RESID 29 (Q): N 120.800 120.800 121.611 -0.811 RESID 29 (Q): C 175.500 175.500 174.939 0.561 RESID 29 (Q): CA 54.780 54.780 56.086 -1.306 RESID 29 (Q): CB 30.700 30.700 29.259 1.442 RESID 29 (Q): H 8.506 8.506 8.599 -0.093 RESID 30 (I): N 124.300 124.300 126.060 -1.760 RESID 30 (I): C 175.700 175.700 175.063 0.637 RESID 30 (I): CA 58.520 58.520 59.396 -0.876 RESID 30 (I): CB 40.680 40.680 41.231 -0.551 RESID 30 (I): H 9.002 9.002 7.964 1.038 RESID 31 (T): N 125.200 125.200 121.945 3.255 RESID 31 (T): C 174.400 174.400 173.678 0.722 RESID 31 (T): CA 62.150 62.150 63.477 -1.327 RESID 31 (T): CB 70.640 70.640 69.590 1.050 RESID 31 (T): H 8.989 8.989 8.401 0.588 RESID 32 (D): N 129.500 129.500 123.730 5.770 RESID 32 (D): C 177.400 177.400 175.963 1.437 RESID 32 (D): CA 52.630 52.630 51.911 0.719 RESID 32 (D): CB 42.950 42.950 43.570 -0.620 RESID 32 (D): H 9.389 9.389 7.952 1.437 RESID 33 (S): N 111.900 111.900 116.371 -4.471 RESID 33 (S): C 175.600 175.600 176.025 -0.425 RESID 33 (S): CA 60.920 60.920 60.555 0.365 RESID 33 (S): CB 63.430 63.430 63.867 -0.437 RESID 33 (S): H 8.075 8.075 8.279 -0.204 RESID 34 (R): N 120.600 120.600 123.150 -2.550 RESID 34 (R): C 176.100 176.100 176.929 -0.829 RESID 34 (R): CA 55.020 55.020 58.541 -3.521 RESID 34 (R): CB 30.850 30.850 30.722 0.128 RESID 34 (R): H 8.433 8.433 7.827 0.606 RESID 35 (G): N 108.900 108.900 103.743 5.157 RESID 35 (G): C 171.200 171.200 173.490 -2.290 RESID 35 (G): CA 45.060 45.060 45.571 -0.511 RESID 35 (G): H 7.837 7.837 8.617 -0.780 RESID 36 (T): N 116.300 116.300 115.846 0.454 RESID 36 (T): C 173.800 173.800 172.830 0.970 RESID 36 (T): CA 62.670 62.670 62.605 0.065 RESID 36 (T): CB 70.000 70.000 70.178 -0.178 RESID 36 (T): H 8.192 8.192 7.650 0.542 RESID 37 (H): N 125.800 125.800 125.327 0.473 RESID 37 (H): C 174.000 174.000 173.271 0.729 RESID 37 (H): CA 54.060 54.060 55.394 -1.334 RESID 37 (H): CB 31.020 31.020 33.075 -2.055 RESID 37 (H): H 8.986 8.986 8.621 0.365 RESID 38 (T): N 121.500 121.500 117.760 3.740 RESID 38 (T): C 174.200 174.200 172.939 1.261 RESID 38 (T): CA 63.190 63.190 61.141 2.049 RESID 38 (T): CB 70.080 70.080 71.329 -1.249 RESID 38 (T): H 9.101 9.101 7.703 1.398 RESID 39 (L): N 129.600 129.600 122.439 7.161 RESID 39 (L): C 176.900 176.900 176.880 0.020 RESID 39 (L): CA 53.990 53.990 53.479 0.511 RESID 39 (L): CB 43.160 43.160 44.111 -0.952 RESID 39 (L): H 9.145 9.145 8.732 0.413 RESID 40 (E): N 124.300 124.300 125.901 -1.601 RESID 40 (E): C 175.600 175.600 175.931 -0.331 RESID 40 (E): CA 59.420 59.420 59.148 0.272 RESID 40 (E): CB 30.710 30.710 30.216 0.494 RESID 40 (E): H 9.164 9.164 9.045 0.119 RESID 41 (S): N 108.300 108.300 110.055 -1.755 RESID 41 (S): C 171.700 171.700 173.170 -1.470 RESID 41 (S): CA 56.270 56.270 57.159 -0.889 RESID 41 (S): CB 65.420 65.420 64.824 0.596 RESID 41 (S): H 7.326 7.326 7.486 -0.160 RESID 42 (Q): N 123.900 123.900 120.598 3.302 RESID 42 (Q): C 174.600 174.600 174.742 -0.142 RESID 42 (Q): CA 53.730 53.730 55.791 -2.061 RESID 42 (Q): CB 28.470 28.470 27.899 0.571 RESID 42 (Q): H 7.339 7.339 8.611 -1.272 RESID 43 (P): C 176.300 176.300 176.650 -0.350 RESID 43 (P): CA 64.080 64.080 63.342 0.738 RESID 43 (P): CB 32.510 32.510 32.410 0.100 RESID 44 (Q): N 125.100 125.100 122.545 2.555 RESID 44 (Q): C 175.400 175.400 176.009 -0.609 RESID 44 (Q): CA 55.780 55.780 57.240 -1.460 RESID 44 (Q): CB 32.660 32.660 29.770 2.890 RESID 44 (Q): H 11.160 11.160 8.526 2.634 RESID 45 (R): N 125.700 125.700 117.468 8.232 RESID 45 (R): C 174.600 174.600 174.098 0.502 RESID 45 (R): CA 55.310 55.310 55.239 0.071 RESID 45 (R): CB 33.070 33.070 33.057 0.013 RESID 45 (R): H 10.010 10.010 7.570 2.440 RESID 47 (V): C 174.700 174.700 174.337 0.363 RESID 47 (V): CA 60.970 60.970 61.250 -0.280 RESID 47 (V): CB 34.140 34.140 34.399 -0.259 RESID 48 (S): N 118.300 118.300 120.288 -1.988 RESID 48 (S): C 175.500 175.500 173.593 1.907 RESID 48 (S): CA 55.700 55.700 57.568 -1.868 RESID 48 (S): CB 64.750 64.750 65.847 -1.097 RESID 48 (S): H 7.852 7.852 8.492 -0.640 RESID 49 (T): N 116.800 116.800 112.693 4.107 RESID 49 (T): C 171.500 171.500 174.482 -2.982 RESID 49 (T): CA 62.400 62.400 61.468 0.932 RESID 49 (T): CB 69.320 69.320 69.707 -0.387 RESID 49 (T): H 8.283 8.283 8.649 -0.366 RESID 50 (S): N 116.200 116.200 116.429 -0.229 RESID 50 (S): C 174.600 174.600 175.260 -0.660 RESID 50 (S): CA 54.640 54.640 56.582 -1.942 RESID 50 (S): CB 64.000 64.000 64.202 -0.202 RESID 50 (S): H 7.627 7.627 7.733 -0.106 RESID 51 (V): N 134.300 134.300 129.001 5.299 RESID 51 (V): C 175.100 175.100 177.832 -2.732 RESID 51 (V): CA 65.620 65.620 66.031 -0.410 RESID 51 (V): CB 31.790 31.790 32.011 -0.221 RESID 51 (V): H 9.218 9.218 9.017 0.201 RESID 52 (T): N 117.000 117.000 116.169 0.831 RESID 52 (T): C 179.700 179.700 176.311 3.389 RESID 52 (T): CA 67.390 67.390 66.939 0.451 RESID 52 (T): CB 69.130 69.130 68.655 0.475 RESID 52 (T): H 7.841 7.841 8.012 -0.171 RESID 53 (L): N 123.400 123.400 121.975 1.425 RESID 53 (L): C 178.700 178.700 178.168 0.532 RESID 53 (L): CA 57.460 57.460 58.211 -0.751 RESID 53 (L): CB 42.610 42.610 41.745 0.865 RESID 53 (L): H 8.092 8.092 8.603 -0.511 RESID 54 (T): N 117.500 117.500 115.739 1.761 RESID 54 (T): C 174.900 174.900 176.643 -1.743 RESID 54 (T): CA 67.070 67.070 67.731 -0.661 RESID 54 (T): H 8.039 8.039 8.137 -0.098 RESID 55 (G): N 105.500 105.500 109.186 -3.686 RESID 55 (G): C 175.600 175.600 175.782 -0.182 RESID 55 (G): CA 47.260 47.260 46.941 0.319 RESID 55 (G): H 6.591 6.591 7.871 -1.280 RESID 56 (S): N 117.000 117.000 117.789 -0.789 RESID 56 (S): C 175.600 175.600 176.754 -1.154 RESID 56 (S): CA 63.400 63.400 61.463 1.937 RESID 56 (S): CB 65.060 65.060 63.090 1.970 RESID 56 (S): H 6.709 6.709 7.974 -1.265 RESID 58 (L): C 181.200 181.200 179.406 1.794 RESID 58 (L): CA 57.480 57.480 57.758 -0.278 RESID 58 (L): CB 40.810 40.810 40.932 -0.122 RESID 59 (A): N 122.100 122.100 122.898 -0.798 RESID 59 (A): C 178.500 178.500 178.808 -0.308 RESID 59 (A): CA 55.540 55.540 54.803 0.737 RESID 59 (A): CB 18.440 18.440 18.765 -0.325 RESID 59 (A): H 7.797 7.797 8.088 -0.291 RESID 60 (I): C 172.700 172.700 174.240 -1.540 RESID 60 (I): CA 60.390 60.390 60.239 0.151 RESID 60 (I): CB 37.930 37.930 37.472 0.458 RESID 61 (D): N 116.200 116.200 118.586 -2.386 RESID 61 (D): C 174.800 174.800 174.561 0.239 RESID 61 (D): CA 55.850 55.850 55.800 0.050 RESID 61 (D): CB 38.930 38.930 38.960 -0.030 RESID 61 (D): H 7.736 7.736 7.735 0.001 RESID 62 (A): N 118.900 118.900 122.199 -3.299 RESID 62 (A): C 176.800 176.800 174.172 2.628 RESID 62 (A): CA 50.040 50.040 51.133 -1.093 RESID 62 (A): CB 17.940 17.940 19.675 -1.735 RESID 62 (A): H 7.820 7.820 7.662 0.158 RESID 63 (P): C 173.600 173.600 175.743 -2.143 RESID 63 (P): CA 63.250 63.250 62.807 0.443 RESID 63 (P): CB 27.640 27.640 32.544 -4.904 RESID 64 (V): N 123.100 123.100 119.099 4.001 RESID 64 (V): C 174.800 174.800 175.723 -0.923 RESID 64 (V): CA 58.420 58.420 59.860 -1.440 RESID 64 (V): CB 33.300 33.300 34.118 -0.818 RESID 64 (V): H 8.299 8.299 7.863 0.436 RESID 65 (I): N 122.000 122.000 126.303 -4.303 RESID 65 (I): C 177.100 177.100 175.563 1.537 RESID 65 (I): CA 61.010 61.010 64.039 -3.029 RESID 65 (I): CB 39.480 39.480 38.210 1.270 RESID 65 (I): H 8.589 8.589 8.395 0.194 RESID 66 (A): N 120.700 120.700 116.404 4.296 RESID 66 (A): C 175.100 175.100 175.190 -0.090 RESID 66 (A): CA 51.300 51.300 50.653 0.647 RESID 66 (A): CB 22.980 22.980 21.515 1.466 RESID 66 (A): H 7.246 7.246 7.671 -0.425 RESID 67 (S): N 111.700 111.700 116.718 -5.018 RESID 67 (S): C 176.500 176.500 174.243 2.257 RESID 67 (S): CA 55.230 55.230 57.318 -2.088 RESID 67 (S): CB 65.300 65.300 67.733 -2.433 RESID 67 (S): H 8.561 8.561 8.317 0.244 RESID 68 (G): N 112.900 112.900 107.250 5.650 RESID 68 (G): C 171.000 171.000 172.610 -1.610 RESID 68 (G): CA 46.580 46.580 44.505 2.075 RESID 68 (G): H 7.604 7.604 8.719 -1.115 RESID 69 (A): N 122.300 122.300 125.938 -3.638 RESID 69 (A): C 177.900 177.900 175.185 2.715 RESID 69 (A): CA 51.280 51.280 52.439 -1.159 RESID 69 (A): CB 23.440 23.440 21.363 2.077 RESID 69 (A): H 7.402 7.402 8.209 -0.807 RESID 70 (T): N 119.600 119.600 113.906 5.694 RESID 70 (T): C 171.400 171.400 174.111 -2.711 RESID 70 (T): CA 58.150 58.150 61.299 -3.149 RESID 70 (T): CB 70.880 70.880 69.876 1.004 RESID 70 (T): H 9.171 9.171 8.089 1.082 RESID 71 (T): N 116.500 116.500 121.659 -5.159 RESID 71 (T): C 172.500 172.500 172.909 -0.409 RESID 71 (T): CA 61.680 61.680 61.635 0.045 RESID 71 (T): CB 70.490 70.490 68.953 1.537 RESID 71 (T): H 7.663 7.663 8.471 -0.808 RESID 72 (P): C 177.100 177.100 176.115 0.985 RESID 72 (P): CA 63.390 63.390 63.580 -0.190 RESID 72 (P): CB 32.940 32.940 32.210 0.730 RESID 73 (N): N 115.200 115.200 119.822 -4.622 RESID 73 (N): C 174.600 174.600 176.219 -1.619 RESID 73 (N): CA 54.570 54.570 53.833 0.737 RESID 73 (N): CB 37.020 37.020 38.479 -1.459 RESID 73 (N): H 7.990 7.990 8.690 -0.700 RESID 74 (N): C 175.800 175.800 176.980 -1.180 RESID 74 (N): CA 60.660 60.660 55.669 4.991 RESID 74 (N): CB 38.070 38.070 37.727 0.343 RESID 75 (R): N 114.600 114.600 120.948 -6.348 RESID 75 (R): C 177.400 177.400 177.555 -0.155 RESID 75 (R): CA 59.940 59.940 58.863 1.077 RESID 75 (R): CB 31.110 31.110 30.041 1.069 RESID 75 (R): H 8.049 8.049 8.334 -0.285 RESID 76 (V): N 107.100 107.100 117.348 -10.248 RESID 76 (V): C 176.000 176.000 175.945 0.055 RESID 76 (V): CA 61.110 61.110 64.046 -2.936 RESID 76 (V): CB 33.590 33.590 31.554 2.036 RESID 76 (V): H 7.356 7.356 8.181 -0.825 RESID 77 (A): N 126.900 126.900 121.038 5.862 RESID 77 (A): C 176.500 176.500 177.569 -1.069 RESID 77 (A): CA 51.390 51.390 52.423 -1.033 RESID 77 (A): CB 24.260 24.260 19.133 5.127 RESID 77 (A): H 7.873 7.873 7.155 0.718 RESID 78 (D): N 118.700 118.700 116.938 1.762 RESID 78 (D): C 178.100 178.100 175.897 2.203 RESID 78 (D): CA 51.970 51.970 52.910 -0.940 RESID 78 (D): CB 41.360 41.360 41.003 0.357 RESID 78 (D): H 8.607 8.607 8.177 0.430 RESID 79 (D): N 116.600 116.600 115.776 0.824 RESID 79 (D): C 176.400 176.400 176.122 0.278 RESID 79 (D): CA 56.030 56.030 54.939 1.091 RESID 79 (D): CB 40.100 40.100 39.224 0.876 RESID 79 (D): H 8.258 8.258 8.423 -0.165 RESID 80 (Q): N 117.200 117.200 121.551 -4.351 RESID 80 (Q): C 175.700 175.700 176.882 -1.182 RESID 80 (Q): CA 54.970 54.970 56.484 -1.514 RESID 80 (Q): CB 30.840 30.840 28.420 2.420 RESID 80 (Q): H 8.160 8.160 8.339 -0.179 RESID 81 (G): N 105.300 105.300 105.299 0.001 RESID 81 (G): C 174.200 174.200 173.340 0.860 RESID 81 (G): CA 45.740 45.740 44.791 0.949 RESID 81 (G): H 7.419 7.419 8.066 -0.647 RESID 82 (F): N 121.700 121.700 121.056 0.644 RESID 82 (F): C 175.300 175.300 175.733 -0.433 RESID 82 (F): CA 52.530 52.530 56.805 -4.275 RESID 82 (F): CB 37.430 37.430 40.081 -2.651 RESID 82 (F): H 8.154 8.154 7.852 0.302 RESID 83 (L): C 178.400 178.400 177.447 0.953 RESID 83 (L): CA 55.550 55.550 55.198 0.352 RESID 83 (L): CB 38.480 38.480 41.987 -3.507 RESID 84 (R): N 119.000 119.000 118.714 0.286 RESID 84 (R): C 178.300 178.300 177.546 0.754 RESID 84 (R): CA 60.690 60.690 57.249 3.441 RESID 84 (R): CB 31.530 31.530 29.882 1.648 RESID 84 (R): H 7.746 7.746 8.429 -0.683 RESID 85 (Q): N 116.400 116.400 118.973 -2.573 RESID 85 (Q): C 174.700 174.700 177.382 -2.682 RESID 85 (Q): CA 58.200 58.200 58.007 0.193 RESID 85 (Q): CB 26.140 26.140 29.304 -3.164 RESID 85 (Q): H 9.838 9.838 7.986 1.852 RESID 86 (W): N 115.600 115.600 122.101 -6.501 RESID 86 (W): C 175.900 175.900 177.671 -1.771 RESID 86 (W): CA 55.320 55.320 60.372 -5.052 RESID 86 (W): CB 27.470 27.470 29.543 -2.073 RESID 86 (W): H 6.600 6.600 8.540 -1.940 RESID 87 (S): N 118.500 118.500 114.791 3.709 RESID 87 (S): C 177.300 177.300 175.845 1.455 RESID 87 (S): CA 62.340 62.340 61.719 0.621 RESID 87 (S): H 7.067 7.067 8.314 -1.247 RESID 88 (K): N 118.300 118.300 122.235 -3.935 RESID 88 (K): C 179.000 179.000 178.820 0.180 RESID 88 (K): CA 59.970 59.970 59.492 0.478 RESID 88 (K): CB 32.380 32.380 32.468 -0.088 RESID 88 (K): H 8.615 8.615 7.631 0.984 RESID 89 (V): N 120.600 120.600 114.228 6.372 RESID 89 (V): C 178.100 178.100 177.294 0.806 RESID 89 (V): CA 65.530 65.530 65.440 0.090 RESID 89 (V): CB 32.180 32.180 31.681 0.499 RESID 89 (V): H 7.089 7.089 7.779 -0.690 RESID 90 (A): N 120.700 120.700 121.090 -0.390 RESID 90 (A): C 180.000 180.000 178.900 1.100 RESID 90 (A): CA 55.490 55.490 54.098 1.392 RESID 90 (A): CB 19.130 19.130 17.692 1.438 RESID 90 (A): H 7.979 7.979 7.296 0.683 RESID 91 (K): N 117.600 117.600 118.041 -0.441 RESID 91 (K): C 180.900 180.900 177.871 3.029 RESID 91 (K): CA 59.830 59.830 58.832 0.998 RESID 91 (K): CB 32.700 32.700 32.696 0.004 RESID 91 (K): H 7.844 7.844 8.088 -0.244 RESID 92 (E): N 122.300 122.300 117.211 5.089 RESID 92 (E): C 178.600 178.600 177.099 1.501 RESID 92 (E): CA 59.590 59.590 57.308 2.282 RESID 92 (E): CB 29.740 29.740 30.400 -0.660 RESID 92 (E): H 8.178 8.178 7.701 0.477 RESID 93 (R): N 115.300 115.300 118.436 -3.136 RESID 93 (R): C 175.000 175.000 174.671 0.329 RESID 93 (R): CA 56.320 56.320 55.528 0.792 RESID 93 (R): CB 29.390 29.390 30.916 -1.526 RESID 93 (R): H 7.776 7.776 8.052 -0.276 RESID 94 (K): N 116.800 116.800 115.028 1.772 RESID 94 (K): C 176.400 176.400 175.736 0.664 RESID 94 (K): CA 56.950 56.950 57.605 -0.655 RESID 94 (K): CB 28.870 28.870 30.297 -1.427 RESID 94 (K): H 7.697 7.697 8.393 -0.696 RESID 95 (L): N 120.600 120.600 121.668 -1.068 RESID 95 (L): C 177.200 177.200 176.907 0.293 RESID 95 (L): CA 56.710 56.710 55.990 0.720 RESID 95 (L): CB 43.480 43.480 42.437 1.043 RESID 95 (L): H 7.708 7.708 7.635 0.073 RESID 96 (Q): N 124.900 124.900 124.452 0.448 RESID 96 (Q): C 175.000 175.000 175.964 -0.964 RESID 96 (Q): CA 55.570 55.570 54.942 0.628 RESID 96 (Q): CB 30.080 30.080 29.747 0.333 RESID 96 (Q): H 7.526 7.526 8.400 -0.874 RESID 97 (R): N 126.000 126.000 119.529 6.471 RESID 97 (R): C 176.800 176.800 176.224 0.576 RESID 97 (R): CA 55.610 55.610 56.671 -1.061 RESID 97 (R): CB 31.840 31.840 30.210 1.630 RESID 97 (R): H 9.039 9.039 8.540 0.499 RESID 98 (L): N 126.500 126.500 122.998 3.502 RESID 98 (L): C 175.400 175.400 175.803 -0.403 RESID 98 (L): CA 56.610 56.610 54.168 2.442 RESID 98 (L): CB 47.140 47.140 43.821 3.319 RESID 98 (L): H 8.247 8.247 8.705 -0.458 RESID 99 (Y): N 110.000 110.000 112.073 -2.073 RESID 99 (Y): C 173.200 173.200 174.586 -1.386 RESID 99 (Y): CA 55.320 55.320 56.146 -0.826 RESID 99 (Y): CB 38.350 38.350 39.339 -0.989 RESID 99 (Y): H 6.465 6.465 7.823 -1.358 RESID 100 (I): N 120.000 120.000 126.205 -6.205 RESID 100 (I): C 176.800 176.800 177.149 -0.349 RESID 100 (I): CA 61.290 61.290 63.088 -1.798 RESID 100 (I): CB 39.980 39.980 36.404 3.576 RESID 100 (I): H 8.725 8.725 8.618 0.107 RESID 101 (G): N 114.800 114.800 113.908 0.892 RESID 101 (G): C 173.400 173.400 174.107 -0.707 RESID 101 (G): CA 47.030 47.030 44.824 2.206 RESID 101 (G): H 8.224 8.224 8.488 -0.264 RESID 102 (E): N 129.600 129.600 118.702 10.898 RESID 102 (E): C 173.700 173.700 174.480 -0.780 RESID 102 (E): CA 54.480 54.480 54.003 0.477 RESID 102 (E): CB 29.790 29.790 27.762 2.027 RESID 102 (E): H 8.294 8.294 8.009 0.285 RESID 103 (P): C 175.400 175.400 176.327 -0.927 RESID 103 (P): CA 62.040 62.040 63.535 -1.495 RESID 103 (P): CB 32.570 32.570 32.680 -0.110 RESID 104 (S): N 111.900 111.900 116.711 -4.811 RESID 104 (S): C 174.800 174.800 174.687 0.113 RESID 104 (S): CA 55.340 55.340 57.964 -2.624 RESID 104 (S): CB 64.330 64.330 64.340 -0.010 RESID 104 (S): H 5.412 5.412 7.936 -2.524 RESID 105 (A): N 130.200 130.200 129.964 0.236 RESID 105 (A): C 179.400 179.400 179.085 0.315 RESID 105 (A): CA 55.070 55.070 54.289 0.781 RESID 105 (A): CB 18.210 18.210 19.048 -0.838 RESID 105 (A): H 9.211 9.211 8.906 0.305 RESID 106 (E): N 119.800 119.800 119.429 0.371 RESID 106 (E): C 179.300 179.300 178.855 0.445 RESID 106 (E): CA 60.270 60.270 59.025 1.245 RESID 106 (E): CB 28.990 28.990 29.462 -0.472 RESID 106 (E): H 8.731 8.731 8.594 0.137 RESID 107 (A): N 121.600 121.600 122.389 -0.789 RESID 107 (A): C 180.100 180.100 179.783 0.317 RESID 107 (A): CA 54.650 54.650 55.085 -0.435 RESID 107 (A): CB 19.220 19.220 18.369 0.851 RESID 107 (A): H 7.682 7.682 7.847 -0.165 RESID 108 (V): N 116.600 116.600 118.273 -1.673 RESID 108 (V): C 177.700 177.700 178.635 -0.935 RESID 108 (V): CA 66.920 66.920 65.768 1.152 RESID 108 (V): CB 31.430 31.430 31.099 0.331 RESID 108 (V): H 7.015 7.015 7.547 -0.532 RESID 109 (A): N 121.400 121.400 123.377 -1.977 RESID 109 (A): C 181.100 181.100 179.359 1.741 RESID 109 (A): CA 55.540 55.540 55.012 0.528 RESID 109 (A): CB 17.900 17.900 18.119 -0.219 RESID 109 (A): H 8.262 8.262 8.177 0.085 RESID 110 (A): N 118.800 118.800 119.548 -0.748 RESID 110 (A): C 178.900 178.900 178.637 0.263 RESID 110 (A): CA 54.300 54.300 54.554 -0.254 RESID 110 (A): CB 18.460 18.460 18.497 -0.037 RESID 110 (A): H 7.607 7.607 7.926 -0.319 RESID 111 (Q): N 113.500 113.500 114.538 -1.038 RESID 111 (Q): C 174.900 174.900 175.932 -1.032 RESID 111 (Q): CA 55.160 55.160 54.209 0.951 RESID 111 (Q): CB 28.450 28.450 28.620 -0.170 RESID 111 (Q): H 7.148 7.148 7.439 -0.291 RESID 112 (M): N 114.700 114.700 120.988 -6.288 RESID 112 (M): C 173.300 173.300 173.266 0.034 RESID 112 (M): CA 55.900 55.900 55.576 0.324 RESID 112 (M): CB 30.300 30.300 31.785 -1.486 RESID 112 (M): H 7.882 7.882 7.921 -0.039 RESID 113 (P): C 176.700 176.700 176.281 0.419 RESID 113 (P): CA 62.820 62.820 62.546 0.274 RESID 113 (P): CB 33.340 33.340 33.045 0.295 RESID 114 (D): N 115.800 115.800 117.921 -2.121 RESID 114 (D): C 175.900 175.900 175.928 -0.028 RESID 114 (D): CA 53.150 53.150 55.210 -2.060 RESID 114 (D): CB 40.990 40.990 42.970 -1.980 RESID 114 (D): H 8.850 8.850 8.213 0.637 RESID 115 (L): C 174.900 174.900 174.311 0.589 RESID 115 (L): CA 52.800 52.800 54.115 -1.315 RESID 116 (I): N 123.500 123.500 126.125 -2.625 RESID 116 (I): CA 60.270 60.270 60.087 0.183 RESID 116 (I): H 9.340 9.340 8.098 1.242 RESID 118 (I): C 174.400 174.400 175.449 -1.049 RESID 118 (I): CA 60.250 60.250 59.787 0.463 RESID 118 (I): CB 42.610 42.610 41.383 1.227 RESID 119 (S): N 121.600 121.600 121.607 -0.007 RESID 119 (S): C 175.700 175.700 175.106 0.594 RESID 119 (S): CA 57.150 57.150 57.734 -0.584 RESID 119 (S): CB 65.280 65.280 64.583 0.697 RESID 119 (S): H 9.575 9.575 8.569 1.006 RESID 120 (A): N 126.000 126.000 124.665 1.335 RESID 120 (A): C 176.900 176.900 177.447 -0.547 RESID 120 (A): CA 54.300 54.300 54.352 -0.052 RESID 120 (A): CB 20.530 20.530 19.012 1.518 RESID 120 (A): H 8.143 8.143 8.694 -0.551 RESID 121 (T): N 106.400 106.400 110.369 -3.969 RESID 121 (T): C 173.000 173.000 173.154 -0.154 RESID 121 (T): CA 59.450 59.450 61.930 -2.480 RESID 121 (T): CB 72.310 72.310 70.710 1.600 RESID 121 (T): H 7.617 7.617 7.859 -0.242 RESID 122 (G): N 104.200 104.200 110.869 -6.669 RESID 122 (G): C 177.200 177.200 174.139 3.061 RESID 122 (G): CA 44.430 44.430 45.187 -0.757 RESID 122 (G): H 7.998 7.998 7.838 0.160 RESID 123 (G): C 174.100 174.100 174.325 -0.225 RESID 123 (G): CA 46.710 46.710 45.676 1.034 RESID 124 (D): N 116.900 116.900 119.148 -2.248 RESID 124 (D): C 176.900 176.900 175.725 1.175 RESID 124 (D): CA 52.320 52.320 52.886 -0.566 RESID 124 (D): CB 40.690 40.690 40.654 0.036 RESID 124 (D): H 8.617 8.617 7.729 0.888 RESID 125 (S): N 115.100 115.100 119.068 -3.968 RESID 125 (S): C 176.900 176.900 175.171 1.729 RESID 125 (S): CA 58.750 58.750 58.639 0.112 RESID 125 (S): CB 64.190 64.190 64.083 0.107 RESID 125 (S): H 7.322 7.322 8.437 -1.115 RESID 126 (A): N 134.900 134.900 130.038 4.862 RESID 126 (A): C 176.700 176.700 178.659 -1.959 RESID 126 (A): CA 51.150 51.150 53.501 -2.351 RESID 126 (A): CB 16.850 16.850 19.093 -2.243 RESID 126 (A): H 8.837 8.837 8.631 0.206 RESID 127 (L): N 121.000 121.000 121.023 -0.023 RESID 127 (L): C 178.900 178.900 178.330 0.570 RESID 127 (L): CA 58.730 58.730 57.273 1.457 RESID 127 (L): CB 42.840 42.840 41.615 1.225 RESID 127 (L): H 7.353 7.353 8.148 -0.795 RESID 128 (A): N 121.600 121.600 118.102 3.498 RESID 128 (A): C 178.900 178.900 178.112 0.788 RESID 128 (A): CA 55.010 55.010 54.153 0.857 RESID 128 (A): CB 18.200 18.200 18.695 -0.494 RESID 128 (A): H 8.918 8.918 7.619 1.299 RESID 129 (L): N 116.800 116.800 116.191 0.609 RESID 129 (L): C 177.000 177.000 177.864 -0.864 RESID 129 (L): CA 53.930 53.930 55.242 -1.312 RESID 129 (L): CB 42.710 42.710 43.116 -0.406 RESID 129 (L): H 7.776 7.776 7.426 0.350 RESID 130 (Y): N 122.000 122.000 122.848 -0.848 RESID 130 (Y): C 177.100 177.100 176.749 0.351 RESID 130 (Y): CA 64.420 64.420 62.943 1.477 RESID 130 (Y): CB 39.470 39.470 38.435 1.034 RESID 130 (Y): H 7.891 7.891 8.989 -1.098 RESID 131 (D): N 119.000 119.000 117.799 1.201 RESID 131 (D): C 178.300 178.300 178.412 -0.112 RESID 131 (D): CA 58.040 58.040 57.428 0.612 RESID 131 (D): CB 39.660 39.660 39.386 0.274 RESID 131 (D): H 9.014 9.014 8.108 0.906 RESID 132 (Q): N 118.900 118.900 119.885 -0.985 RESID 132 (Q): C 179.100 179.100 178.890 0.210 RESID 132 (Q): CA 58.930 58.930 58.578 0.352 RESID 132 (Q): CB 29.320 29.320 28.771 0.549 RESID 132 (Q): H 7.814 7.814 7.977 -0.163 RESID 133 (L): N 119.700 119.700 120.211 -0.511 RESID 133 (L): C 177.900 177.900 178.599 -0.699 RESID 133 (L): CA 57.910 57.910 57.702 0.208 RESID 133 (L): CB 40.980 40.980 41.783 -0.803 RESID 133 (L): H 8.450 8.450 8.821 -0.371 RESID 134 (S): N 111.800 111.800 114.779 -2.979 RESID 134 (S): C 175.500 175.500 176.090 -0.590 RESID 134 (S): CA 61.160 61.160 61.358 -0.198 RESID 134 (S): CB 63.450 63.450 62.727 0.723 RESID 134 (S): H 8.128 8.128 8.477 -0.349 RESID 135 (T): N 111.100 111.100 116.018 -4.918 RESID 135 (T): C 175.300 175.300 176.625 -1.325 RESID 135 (T): CA 63.230 63.230 65.311 -2.081 RESID 135 (T): CB 69.670 69.670 69.015 0.655 RESID 135 (T): H 6.953 6.953 7.561 -0.608 RESID 136 (I): N 124.400 124.400 120.505 3.895 RESID 136 (I): C 175.800 175.800 175.581 0.219 RESID 136 (I): CA 63.940 63.940 64.026 -0.086 RESID 136 (I): CB 38.870 38.870 38.567 0.303 RESID 136 (I): H 7.694 7.694 7.367 0.327 RESID 137 (A): N 120.500 120.500 118.631 1.869 RESID 137 (A): C 172.300 172.300 173.991 -1.691 RESID 137 (A): CA 50.470 50.470 50.564 -0.094 RESID 137 (A): CB 19.320 19.320 19.500 -0.180 RESID 137 (A): H 7.540 7.540 7.979 -0.439 RESID 138 (P): C 174.700 174.700 176.152 -1.452 RESID 138 (P): CA 64.700 64.700 63.661 1.039 RESID 138 (P): CB 31.610 31.610 31.500 0.110 RESID 139 (T): N 122.000 122.000 119.777 2.223 RESID 139 (T): C 173.900 173.900 173.903 -0.003 RESID 139 (T): CA 61.630 61.630 63.107 -1.477 RESID 139 (T): CB 71.540 71.540 69.731 1.809 RESID 139 (T): H 7.990 7.990 8.162 -0.172 RESID 140 (L): C 174.900 174.900 174.320 0.580 RESID 140 (L): CA 52.740 52.740 53.419 -0.679 RESID 140 (L): CB 46.680 46.680 46.197 0.483 RESID 141 (I): N 123.500 123.500 125.451 -1.951 RESID 141 (I): C 175.700 175.700 174.783 0.917 RESID 141 (I): CA 60.250 60.250 61.090 -0.840 RESID 141 (I): CB 39.590 39.590 38.714 0.876 RESID 141 (I): H 9.345 9.345 7.951 1.394 RESID 142 (I): N 129.000 129.000 126.797 2.203 RESID 142 (I): C 174.400 174.400 173.952 0.448 RESID 142 (I): CA 57.930 57.930 59.880 -1.950 RESID 142 (I): CB 39.690 39.690 42.248 -2.558 RESID 142 (I): H 9.030 9.030 9.034 -0.004 RESID 143 (N): N 129.100 129.100 124.419 4.681 RESID 143 (N): C 174.700 174.700 174.163 0.537 RESID 143 (N): CA 51.390 51.390 53.305 -1.915 RESID 143 (N): CB 39.720 39.720 39.654 0.066 RESID 143 (N): H 9.388 9.388 8.648 0.740 RESID 144 (Y): N 119.900 119.900 126.089 -6.189 RESID 144 (Y): C 176.500 176.500 174.819 1.681 RESID 144 (Y): CA 55.820 55.820 59.676 -3.857 RESID 144 (Y): CB 39.120 39.120 39.187 -0.067 RESID 144 (Y): H 8.491 8.491 8.569 -0.078 RESID 145 (D): N 125.200 125.200 124.237 0.963 RESID 145 (D): C 176.800 176.800 175.016 1.784 RESID 145 (D): CA 55.220 55.220 55.439 -0.219 RESID 145 (D): CB 43.120 43.120 39.772 3.348 RESID 145 (D): H 8.800 8.800 8.340 0.460 RESID 146 (D): N 119.100 119.100 115.168 3.932 RESID 146 (D): C 175.200 175.200 175.293 -0.093 RESID 146 (D): CA 53.230 53.230 53.599 -0.369 RESID 146 (D): CB 40.760 40.760 42.425 -1.665 RESID 146 (D): H 7.571 7.571 8.591 -1.020 RESID 147 (K): N 114.100 114.100 119.770 -5.670 RESID 147 (K): C 175.000 175.000 175.271 -0.271 RESID 147 (K): CA 54.070 54.070 55.613 -1.543 RESID 147 (K): CB 33.340 33.340 35.199 -1.859 RESID 147 (K): H 7.018 7.018 7.544 -0.526 RESID 148 (S): N 118.300 118.300 118.729 -0.429 RESID 148 (S): C 175.700 175.700 176.087 -0.387 RESID 148 (S): CA 57.120 57.120 57.168 -0.048 RESID 148 (S): CB 64.970 64.970 64.278 0.692 RESID 148 (S): H 8.709 8.709 8.504 0.205 RESID 149 (W): N 121.700 121.700 119.911 1.789 RESID 149 (W): C 179.300 179.300 177.223 2.077 RESID 149 (W): CA 59.890 59.890 58.588 1.302 RESID 149 (W): CB 27.660 27.660 28.385 -0.725 RESID 149 (W): H 8.779 8.779 8.912 -0.133 RESID 150 (Q): N 124.600 124.600 121.348 3.252 RESID 150 (Q): C 178.100 178.100 177.827 0.273 RESID 150 (Q): CA 61.660 61.660 58.281 3.380 RESID 150 (Q): CB 26.550 26.550 27.732 -1.182 RESID 150 (Q): H 8.369 8.369 6.753 1.616 RESID 151 (S): N 117.500 117.500 116.203 1.297 RESID 151 (S): C 177.500 177.500 177.018 0.482 RESID 151 (S): CA 61.760 61.760 61.102 0.658 RESID 151 (S): CB 63.360 63.360 62.658 0.702 RESID 151 (S): H 7.769 7.769 7.744 0.025 RESID 152 (L): N 125.200 125.200 122.889 2.311 RESID 152 (L): C 178.700 178.700 178.133 0.567 RESID 152 (L): CA 58.320 58.320 57.940 0.380 RESID 152 (L): CB 41.980 41.980 41.691 0.290 RESID 152 (L): H 8.460 8.460 8.420 0.040 RESID 153 (L): N 119.200 119.200 118.601 0.599 RESID 153 (L): C 179.700 179.700 178.661 1.039 RESID 153 (L): CA 58.960 58.960 57.519 1.441 RESID 153 (L): CB 41.270 41.270 41.369 -0.099 RESID 153 (L): H 8.562 8.562 7.616 0.946 RESID 154 (T): N 116.300 116.300 112.800 3.500 RESID 154 (T): C 177.200 177.200 176.889 0.311 RESID 154 (T): CA 67.290 67.290 65.970 1.320 RESID 154 (T): CB 68.640 68.640 68.105 0.535 RESID 154 (T): H 8.004 8.004 7.866 0.138 RESID 155 (Q): N 124.500 124.500 120.984 3.516 RESID 155 (Q): C 179.200 179.200 177.995 1.205 RESID 155 (Q): CA 59.710 59.710 58.342 1.368 RESID 155 (Q): CB 28.620 28.620 28.343 0.277 RESID 155 (Q): H 8.230 8.230 7.918 0.312 RESID 156 (L): C 180.900 180.900 179.258 1.642 RESID 156 (L): CA 57.540 57.540 56.901 0.638 RESID 156 (L): CB 41.710 41.710 41.836 -0.126 RESID 157 (G): N 112.800 112.800 107.032 5.768 RESID 157 (G): C 174.500 174.500 175.073 -0.573 RESID 157 (G): CA 48.300 48.300 46.503 1.797 RESID 157 (G): H 9.216 9.216 7.974 1.242 RESID 158 (E): N 123.500 123.500 118.643 4.857 RESID 158 (E): C 177.800 177.800 177.140 0.660 RESID 158 (E): CA 59.120 59.120 57.840 1.280 RESID 158 (E): CB 29.700 29.700 29.386 0.315 RESID 158 (E): H 7.480 7.480 7.466 0.014 RESID 160 (T): C 178.300 178.300 175.984 2.316 RESID 160 (T): CA 61.930 61.930 63.137 -1.207 RESID 160 (T): CB 71.830 71.830 69.194 2.636 RESID 161 (G): N 113.600 113.600 113.822 -0.222 RESID 161 (G): C 174.600 174.600 174.135 0.465 RESID 161 (G): CA 48.130 48.130 46.886 1.244 RESID 161 (G): H 8.114 8.114 8.990 -0.876 RESID 162 (H): N 121.000 121.000 115.983 5.017 RESID 162 (H): C 174.000 174.000 176.147 -2.147 RESID 162 (H): CA 55.370 55.370 55.826 -0.456 RESID 162 (H): CB 28.280 28.280 31.285 -3.005 RESID 162 (H): H 8.506 8.506 7.833 0.673 RESID 163 (E): N 123.900 123.900 122.153 1.747 RESID 163 (E): C 180.800 180.800 178.463 2.337 RESID 163 (E): CA 61.160 61.160 59.704 1.456 RESID 163 (E): CB 28.720 28.720 29.164 -0.444 RESID 163 (E): H 10.300 10.300 8.761 1.539 RESID 164 (K): N 120.600 120.600 120.392 0.208 RESID 164 (K): C 178.700 178.700 178.787 -0.087 RESID 164 (K): CA 59.590 59.590 60.058 -0.468 RESID 164 (K): CB 32.280 32.280 31.973 0.307 RESID 164 (K): H 8.789 8.789 8.390 0.399 RESID 165 (Q): N 119.500 119.500 117.266 2.234 RESID 165 (Q): C 178.800 178.800 178.131 0.669 RESID 165 (Q): CA 60.870 60.870 58.843 2.027 RESID 165 (Q): CB 28.120 28.120 28.381 -0.261 RESID 165 (Q): H 8.058 8.058 8.547 -0.489 RESID 166 (A): N 121.100 121.100 122.414 -1.314 RESID 166 (A): C 178.000 178.000 179.427 -1.427 RESID 166 (A): CA 56.280 56.280 54.956 1.324 RESID 166 (A): CB 18.300 18.300 18.070 0.230 RESID 166 (A): H 7.873 7.873 7.967 -0.094 RESID 167 (A): N 117.900 117.900 120.933 -3.033 RESID 167 (A): C 181.500 181.500 179.622 1.878 RESID 167 (A): CA 55.100 55.100 55.256 -0.156 RESID 167 (A): CB 17.860 17.860 18.164 -0.304 RESID 167 (A): H 7.642 7.642 8.738 -1.096 RESID 168 (E): N 120.100 120.100 118.570 1.530 RESID 168 (E): C 179.600 179.600 179.130 0.470 RESID 168 (E): CA 59.610 59.610 59.612 -0.002 RESID 168 (E): CB 29.790 29.790 29.335 0.455 RESID 168 (E): H 8.230 8.230 7.908 0.322 RESID 170 (I): C 177.700 177.700 177.695 0.005 RESID 170 (I): CA 66.880 66.880 65.300 1.580 RESID 170 (I): CB 39.310 39.310 37.953 1.357 RESID 171 (A): N 120.700 120.700 123.210 -2.510 RESID 171 (A): C 181.200 181.200 179.841 1.359 RESID 171 (A): CA 55.290 55.290 55.636 -0.346 RESID 171 (A): CB 18.260 18.260 18.111 0.148 RESID 171 (A): H 8.000 8.000 8.770 -0.770 RESID 172 (Q): N 120.600 120.600 118.026 2.574 RESID 172 (Q): C 179.200 179.200 178.585 0.615 RESID 172 (Q): CA 59.210 59.210 58.501 0.709 RESID 172 (Q): CB 28.340 28.340 28.602 -0.262 RESID 172 (Q): H 8.585 8.585 7.940 0.645 RESID 173 (F): N 122.500 122.500 122.600 -0.100 RESID 173 (F): C 176.400 176.400 177.400 -1.000 RESID 173 (F): CA 62.710 62.710 61.097 1.613 RESID 173 (F): CB 39.490 39.490 39.133 0.357 RESID 173 (F): H 8.457 8.457 8.790 -0.333 RESID 174 (D): N 121.000 121.000 120.112 0.888 RESID 174 (D): C 180.300 180.300 178.878 1.422 RESID 174 (D): CA 58.040 58.040 57.497 0.543 RESID 174 (D): CB 40.160 40.160 40.254 -0.094 RESID 174 (D): H 8.771 8.771 9.042 -0.271 RESID 175 (K): N 121.300 121.300 120.225 1.075 RESID 175 (K): C 179.800 179.800 178.635 1.165 RESID 175 (K): CA 59.630 59.630 59.642 -0.012 RESID 175 (K): CB 32.710 32.710 32.396 0.314 RESID 175 (K): H 8.125 8.125 8.169 -0.044 RESID 176 (Q): N 121.600 121.600 119.514 2.086 RESID 176 (Q): C 179.100 179.100 178.333 0.767 RESID 176 (Q): CA 58.460 58.460 58.941 -0.481 RESID 176 (Q): CB 27.990 27.990 28.523 -0.533 RESID 176 (Q): H 8.164 8.164 7.816 0.348 RESID 177 (L): N 125.600 125.600 119.576 6.024 RESID 177 (L): C 178.400 178.400 178.669 -0.269 RESID 177 (L): CA 59.890 59.890 57.226 2.664 RESID 177 (L): CB 41.200 41.200 41.361 -0.161 RESID 177 (L): H 8.944 8.944 7.737 1.207 RESID 178 (A): N 121.500 121.500 122.567 -1.067 RESID 178 (A): C 180.600 180.600 179.233 1.367 RESID 178 (A): CA 55.390 55.390 55.190 0.200 RESID 178 (A): CB 17.970 17.970 17.882 0.088 RESID 178 (A): H 7.690 7.690 8.231 -0.541 RESID 179 (A): N 120.200 120.200 121.014 -0.814 RESID 179 (A): C 180.600 180.600 179.895 0.705 RESID 179 (A): CA 54.860 54.860 54.534 0.326 RESID 179 (A): CB 18.190 18.190 18.590 -0.400 RESID 179 (A): H 7.706 7.706 7.659 0.047 RESID 180 (A): N 121.800 121.800 121.822 -0.022 RESID 180 (A): C 179.200 179.200 179.103 0.097 RESID 180 (A): CA 55.490 55.490 54.751 0.739 RESID 180 (A): CB 17.920 17.920 18.175 -0.255 RESID 180 (A): H 8.171 8.171 7.999 0.172 RESID 181 (K): N 118.100 118.100 117.950 0.150 RESID 181 (K): C 178.000 178.000 178.099 -0.099 RESID 181 (K): CA 59.830 59.830 59.197 0.633 RESID 181 (K): CB 33.340 33.340 32.644 0.696 RESID 181 (K): H 8.342 8.342 8.311 0.031 RESID 182 (E): N 114.400 114.400 116.565 -2.165 RESID 182 (E): C 177.300 177.300 177.438 -0.138 RESID 182 (E): CA 57.870 57.870 57.116 0.754 RESID 182 (E): CB 30.320 30.320 29.259 1.060 RESID 182 (E): H 7.153 7.153 7.759 -0.606 RESID 183 (Q): N 116.700 116.700 117.403 -0.703 RESID 183 (Q): C 177.200 177.200 176.180 1.020 RESID 183 (Q): CA 57.060 57.060 56.836 0.224 RESID 183 (Q): CB 31.550 31.550 31.122 0.428 RESID 183 (Q): H 7.458 7.458 7.631 -0.173 RESID 184 (I): N 117.800 117.800 115.859 1.941 RESID 184 (I): C 175.200 175.200 174.246 0.954 RESID 184 (I): CA 63.000 63.000 59.752 3.248 RESID 184 (I): CB 40.300 40.300 39.955 0.345 RESID 184 (I): H 7.723 7.723 7.429 0.294 RESID 185 (K): N 127.700 127.700 122.984 4.716 RESID 185 (K): C 175.600 175.600 175.632 -0.032 RESID 185 (K): CA 54.550 54.550 55.124 -0.574 RESID 185 (K): CB 31.600 31.600 34.494 -2.894 RESID 185 (K): H 8.743 8.743 7.915 0.828 RESID 186 (L): N 124.700 124.700 125.768 -1.068 RESID 186 (L): C 175.700 175.700 175.914 -0.214 RESID 186 (L): CA 54.240 54.240 51.893 2.347 RESID 186 (L): CB 41.050 41.050 40.669 0.381 RESID 186 (L): H 8.051 8.051 8.474 -0.423 RESID 188 (P): C 174.800 174.800 176.251 -1.451 RESID 188 (P): CA 65.060 65.060 63.598 1.462 RESID 188 (P): CB 32.670 32.670 31.678 0.992 RESID 189 (Q): N 121.300 121.300 121.033 0.267 RESID 189 (Q): C 174.800 174.800 172.928 1.872 RESID 189 (Q): CA 52.330 52.330 54.721 -2.391 RESID 189 (Q): CB 31.350 31.350 30.384 0.966 RESID 189 (Q): H 8.061 8.061 8.224 -0.163 RESID 190 (P): C 175.500 175.500 175.553 -0.053 RESID 190 (P): CA 62.820 62.820 62.480 0.340 RESID 190 (P): CB 35.450 35.450 32.810 2.640 RESID 191 (V): N 112.600 112.600 121.674 -9.074 RESID 191 (V): C 174.300 174.300 173.971 0.329 RESID 191 (V): CA 59.740 59.740 59.522 0.218 RESID 191 (V): CB 35.030 35.030 34.685 0.345 RESID 191 (V): H 9.214 9.214 8.484 0.730 RESID 192 (T): N 120.700 120.700 113.338 7.362 RESID 192 (T): C 172.300 172.300 172.096 0.204 RESID 192 (T): CA 63.030 63.030 59.541 3.489 RESID 192 (T): CB 71.550 71.550 71.252 0.298 RESID 192 (T): H 8.462 8.462 8.328 0.134 RESID 193 (A): N 132.900 132.900 123.033 9.867 RESID 193 (A): C 175.400 175.400 175.412 -0.012 RESID 193 (A): CA 50.570 50.570 51.120 -0.550 RESID 193 (A): CB 21.140 21.140 21.450 -0.310 RESID 193 (A): H 10.170 10.170 8.560 1.610 RESID 194 (I): N 115.400 115.400 117.458 -2.058 RESID 194 (I): C 176.600 176.600 173.693 2.907 RESID 194 (I): CA 59.540 59.540 60.013 -0.473 RESID 194 (I): CB 43.930 43.930 42.117 1.813 RESID 194 (I): H 9.269 9.269 8.542 0.727 RESID 195 (V): N 118.500 118.500 122.770 -4.270 RESID 195 (V): C 176.200 176.200 174.071 2.129 RESID 195 (V): CA 63.190 63.190 61.383 1.807 RESID 195 (V): CB 34.870 34.870 34.664 0.206 RESID 195 (V): H 8.484 8.484 8.651 -0.167 RESID 196 (Y): N 132.200 132.200 129.490 2.710 RESID 196 (Y): C 174.700 174.700 174.144 0.556 RESID 196 (Y): CA 57.000 57.000 57.413 -0.413 RESID 196 (Y): CB 41.250 41.250 40.152 1.098 RESID 196 (Y): H 9.989 9.989 8.979 1.010 RESID 197 (T): N 124.900 124.900 123.371 1.529 RESID 197 (T): C 174.300 174.300 173.377 0.923 RESID 197 (T): CA 60.740 60.740 60.624 0.116 RESID 197 (T): CB 68.560 68.560 71.595 -3.035 RESID 197 (T): H 8.262 8.262 7.827 0.435 RESID 198 (A): N 130.500 130.500 130.800 -0.300 RESID 198 (A): C 180.400 180.400 179.206 1.194 RESID 198 (A): CA 55.510 55.510 54.342 1.168 RESID 198 (A): CB 18.480 18.480 18.398 0.082 RESID 198 (A): H 8.524 8.524 8.856 -0.332 RESID 199 (A): N 118.700 118.700 123.519 -4.819 RESID 199 (A): C 177.700 177.700 178.718 -1.018 RESID 199 (A): CA 54.350 54.350 54.855 -0.505 RESID 199 (A): CB 18.350 18.350 17.951 0.399 RESID 199 (A): H 8.578 8.578 8.282 0.296 RESID 200 (A): N 116.700 116.700 120.531 -3.831 RESID 200 (A): C 176.600 176.600 177.244 -0.644 RESID 200 (A): CA 51.290 51.290 52.073 -0.783 RESID 200 (A): CB 20.180 20.180 18.860 1.320 RESID 200 (A): H 6.638 6.638 8.102 -1.464 RESID 201 (H): N 116.900 116.900 116.539 0.361 RESID 201 (H): C 172.900 172.900 173.409 -0.509 RESID 201 (H): CA 56.710 56.710 56.342 0.368 RESID 201 (H): CB 27.820 27.820 28.239 -0.419 RESID 201 (H): H 7.569 7.569 7.779 -0.210 RESID 202 (S): N 110.500 110.500 114.428 -3.928 RESID 202 (S): C 171.500 171.500 171.445 0.055 RESID 202 (S): CA 56.530 56.530 57.609 -1.079 RESID 202 (S): CB 66.170 66.170 66.283 -0.113 RESID 202 (S): H 7.109 7.109 7.800 -0.691 RESID 203 (A): N 120.900 120.900 123.816 -2.916 RESID 203 (A): C 174.900 174.900 175.280 -0.380 RESID 203 (A): CA 50.890 50.890 51.419 -0.529 RESID 203 (A): CB 24.510 24.510 22.195 2.314 RESID 203 (A): H 8.618 8.618 8.305 0.313 RESID 204 (N): N 118.900 118.900 118.816 0.084 RESID 204 (N): C 173.300 173.300 173.452 -0.152 RESID 204 (N): CA 51.520 51.520 52.065 -0.545 RESID 204 (N): CB 40.080 40.080 42.170 -2.090 RESID 204 (N): H 8.333 8.333 8.222 0.111 RESID 205 (L): N 127.200 127.200 121.703 5.497 RESID 205 (L): C 175.700 175.700 175.571 0.129 RESID 205 (L): CA 54.920 54.920 54.065 0.855 RESID 205 (L): CB 44.180 44.180 42.596 1.584 RESID 205 (L): H 9.265 9.265 7.619 1.646 RESID 206 (W): N 125.300 125.300 123.662 1.638 RESID 206 (W): C 177.100 177.100 176.456 0.644 RESID 206 (W): CA 56.630 56.630 57.377 -0.746 RESID 206 (W): CB 29.690 29.690 30.817 -1.127 RESID 206 (W): H 8.560 8.560 7.904 0.656 RESID 207 (T): N 112.000 112.000 110.185 1.815 RESID 207 (T): C 176.100 176.100 173.285 2.815 RESID 207 (T): CA 60.120 60.120 59.239 0.881 RESID 207 (T): CB 68.540 68.540 70.392 -1.852 RESID 207 (T): H 8.029 8.029 8.136 -0.107 RESID 208 (P): C 176.000 176.000 176.855 -0.855 RESID 208 (P): CA 66.120 66.120 65.412 0.708 RESID 208 (P): CB 31.950 31.950 32.164 -0.214 RESID 209 (E): N 112.300 112.300 115.010 -2.710 RESID 209 (E): C 177.100 177.100 176.805 0.295 RESID 209 (E): CA 57.280 57.280 57.197 0.083 RESID 209 (E): CB 29.760 29.760 30.152 -0.392 RESID 209 (E): H 7.612 7.612 7.965 -0.353 RESID 210 (S): N 115.800 115.800 115.066 0.734 RESID 210 (S): C 173.900 173.900 175.521 -1.621 RESID 210 (S): CA 58.060 58.060 59.209 -1.149 RESID 210 (S): CB 67.320 67.320 64.466 2.854 RESID 210 (S): H 7.654 7.654 7.427 0.227 RESID 211 (A): N 125.200 125.200 127.369 -2.169 RESID 211 (A): C 180.600 180.600 179.845 0.755 RESID 211 (A): CA 55.410 55.410 55.325 0.085 RESID 211 (A): CB 18.530 18.530 18.765 -0.235 RESID 211 (A): H 8.874 8.874 9.024 -0.150 RESID 212 (Q): N 119.200 119.200 118.631 0.569 RESID 212 (Q): C 177.100 177.100 178.016 -0.916 RESID 212 (Q): CA 61.410 61.410 58.966 2.444 RESID 212 (Q): CB 27.090 27.090 27.424 -0.334 RESID 212 (Q): H 8.493 8.493 8.479 0.014 RESID 213 (G): N 107.500 107.500 107.660 -0.160 RESID 213 (G): C 175.400 175.400 176.314 -0.914 RESID 213 (G): CA 47.520 47.520 46.823 0.697 RESID 213 (G): H 8.053 8.053 8.292 -0.239 RESID 214 (Q): N 120.700 120.700 121.507 -0.807 RESID 214 (Q): C 179.000 179.000 178.395 0.605 RESID 214 (Q): CA 59.150 59.150 58.875 0.275 RESID 214 (Q): CB 29.110 29.110 28.688 0.422 RESID 214 (Q): H 8.501 8.501 8.082 0.419 RESID 215 (M): N 119.200 119.200 120.609 -1.409 RESID 215 (M): C 177.800 177.800 178.181 -0.381 RESID 215 (M): CA 59.760 59.760 59.648 0.112 RESID 215 (M): CB 32.050 32.050 32.840 -0.791 RESID 215 (M): H 7.878 7.878 8.174 -0.296 RESID 216 (L): N 115.800 115.800 118.823 -3.023 RESID 216 (L): C 179.900 179.900 179.035 0.865 RESID 216 (L): CA 58.160 58.160 57.668 0.492 RESID 216 (L): CB 40.010 40.010 41.449 -1.439 RESID 216 (L): H 7.517 7.517 7.980 -0.463 RESID 217 (E): N 121.000 121.000 119.642 1.358 RESID 217 (E): C 182.200 182.200 179.261 2.939 RESID 217 (E): CA 60.210 60.210 58.934 1.276 RESID 217 (E): CB 29.150 29.150 29.422 -0.272 RESID 217 (E): H 8.377 8.377 8.187 0.190 RESID 218 (Q): N 122.300 122.300 117.125 5.175 RESID 218 (Q): C 178.100 178.100 178.901 -0.801 RESID 218 (Q): CA 59.220 59.220 58.265 0.955 RESID 218 (Q): CB 28.850 28.850 29.120 -0.270 RESID 218 (Q): H 8.464 8.464 7.927 0.537 RESID 219 (L): N 118.400 118.400 117.805 0.595 RESID 219 (L): C 175.200 175.200 177.436 -2.236 RESID 219 (L): CA 55.880 55.880 57.251 -1.371 RESID 219 (L): CB 44.330 44.330 42.878 1.452 RESID 219 (L): H 7.433 7.433 7.801 -0.368 RESID 220 (G): N 104.600 104.600 102.689 1.911 RESID 220 (G): C 174.700 174.700 172.922 1.778 RESID 220 (G): CA 44.750 44.750 44.693 0.057 RESID 220 (G): H 7.777 7.777 8.169 -0.392 RESID 221 (F): N 119.100 119.100 118.884 0.216 RESID 221 (F): C 175.200 175.200 174.334 0.866 RESID 221 (F): CA 57.900 57.900 55.953 1.947 RESID 221 (F): CB 38.930 38.930 42.793 -3.863 RESID 221 (F): H 8.001 8.001 7.776 0.225 RESID 222 (T): N 117.600 117.600 115.997 1.603 RESID 222 (T): C 173.900 173.900 173.376 0.524 RESID 222 (T): CA 61.790 61.790 61.189 0.601 RESID 222 (T): CB 71.360 71.360 69.741 1.619 RESID 222 (T): H 8.961 8.961 8.565 0.396 RESID 223 (L): N 128.300 128.300 127.084 1.216 RESID 223 (L): C 178.300 178.300 176.641 1.659 RESID 223 (L): CA 54.760 54.760 53.397 1.363 RESID 223 (L): CB 41.600 41.600 42.763 -1.163 RESID 223 (L): H 9.269 9.269 8.208 1.061 RESID 224 (A): N 126.800 126.800 128.109 -1.309 RESID 224 (A): C 177.400 177.400 175.864 1.536 RESID 224 (A): CA 52.460 52.460 50.988 1.472 RESID 224 (A): CB 18.650 18.650 20.837 -2.188 RESID 224 (A): H 9.077 9.077 8.116 0.961 RESID 225 (K): N 123.400 123.400 121.118 2.282 RESID 225 (K): C 176.800 176.800 176.185 0.615 RESID 225 (K): CA 55.600 55.600 55.574 0.026 RESID 225 (K): CB 33.080 33.080 32.904 0.177 RESID 225 (K): H 8.601 8.601 8.362 0.239 RESID 226 (L): N 126.200 126.200 128.001 -1.801 RESID 226 (L): C 175.500 175.500 175.608 -0.108 RESID 226 (L): CA 53.420 53.420 53.947 -0.527 RESID 226 (L): CB 41.720 41.720 41.247 0.473 RESID 226 (L): H 8.634 8.634 8.521 0.113 RESID 227 (P): C 176.800 176.800 177.077 -0.277 RESID 227 (P): CA 62.860 62.860 62.905 -0.045 RESID 227 (P): CB 32.360 32.360 32.181 0.179 RESID 228 (A): N 124.900 124.900 124.859 0.041 RESID 228 (A): C 179.500 179.500 178.498 1.002 RESID 228 (A): CA 54.120 54.120 53.416 0.704 RESID 228 (A): CB 18.710 18.710 18.706 0.004 RESID 228 (A): H 8.412 8.412 8.514 -0.102 RESID 229 (G): N 107.700 107.700 107.512 0.188 RESID 229 (G): C 175.000 175.000 175.965 -0.965 RESID 229 (G): CA 46.040 46.040 45.425 0.615 RESID 229 (G): H 8.565 8.565 8.104 0.461 RESID 230 (L): N 121.100 121.100 122.260 -1.160 RESID 230 (L): C 176.900 176.900 178.380 -1.480 RESID 230 (L): CA 55.620 55.620 55.529 0.091 RESID 230 (L): CB 42.630 42.630 41.672 0.958 RESID 230 (L): H 7.454 7.454 7.860 -0.406 RESID 231 (N): N 119.400 119.400 119.848 -0.448 RESID 231 (N): C 175.300 175.300 175.931 -0.631 RESID 231 (N): CA 53.650 53.650 56.145 -2.495 RESID 231 (N): CB 38.940 38.940 37.992 0.948 RESID 231 (N): H 8.211 8.211 8.011 0.200 RESID 232 (A): N 124.500 124.500 119.956 4.544 RESID 232 (A): C 178.100 178.100 178.409 -0.309 RESID 232 (A): CA 53.110 53.110 51.866 1.244 RESID 232 (A): CB 19.340 19.340 18.196 1.144 RESID 232 (A): H 8.103 8.103 7.944 0.159 RESID 233 (S): N 115.200 115.200 115.688 -0.488 RESID 233 (S): C 175.100 175.100 175.448 -0.348 RESID 233 (S): CA 59.280 59.280 61.394 -2.114 RESID 233 (S): CB 64.280 64.280 63.316 0.964 RESID 233 (S): H 8.169 8.169 8.479 -0.310 RESID 234 (Q): N 122.100 122.100 120.933 1.167 RESID 234 (Q): C 176.400 176.400 175.858 0.542 RESID 234 (Q): CA 56.240 56.240 56.201 0.039 RESID 234 (Q): CB 29.490 29.490 30.930 -1.440 RESID 234 (Q): H 8.230 8.230 7.712 0.518 RESID 235 (S): N 117.100 117.100 118.166 -1.066 RESID 235 (S): C 174.900 174.900 174.664 0.236 RESID 235 (S): CA 58.910 58.910 58.893 0.017 RESID 235 (S): CB 64.510 64.510 62.856 1.654 RESID 235 (S): H 8.229 8.229 8.438 -0.209 RESID 236 (Q): N 122.300 122.300 127.119 -4.819 RESID 236 (Q): C 176.700 176.700 175.451 1.249 RESID 236 (Q): CA 56.610 56.610 55.509 1.101 RESID 236 (Q): CB 29.280 29.280 27.608 1.672 RESID 236 (Q): H 8.372 8.372 8.831 -0.459 RESID 237 (G): N 110.400 110.400 109.049 1.351 RESID 237 (G): C 174.100 174.100 172.962 1.138 RESID 237 (G): CA 45.720 45.720 45.467 0.253 RESID 237 (G): H 8.381 8.381 7.584 0.797 RESID 238 (K): N 120.500 120.500 121.442 -0.942 RESID 238 (K): C 176.600 176.600 175.484 1.116 RESID 238 (K): CA 56.490 56.490 56.037 0.453 RESID 238 (K): CB 33.320 33.320 32.750 0.570 RESID 238 (K): H 7.968 7.968 8.357 -0.389 RESID 239 (R): N 120.900 120.900 125.023 -4.123 RESID 239 (R): CA 56.130 56.130 55.939 0.191 RESID 239 (R): CB 31.560 31.560 30.910 0.650 RESID 239 (R): H 8.159 8.159 8.503 -0.344 RESID 240 (H): C 174.800 174.800 176.501 -1.701 RESID 240 (H): CA 55.740 55.740 58.655 -2.915 RESID 240 (H): CB 29.760 29.760 30.074 -0.314 RESID 241 (D): N 119.800 119.800 119.237 0.563 RESID 241 (D): C 174.700 174.700 176.267 -1.567 RESID 241 (D): CA 55.500 55.500 55.973 -0.473 RESID 241 (D): CB 40.550 40.550 41.215 -0.666 RESID 241 (D): H 9.052 9.052 8.385 0.667 RESID 242 (I): N 115.200 115.200 114.900 0.300 RESID 242 (I): C 175.600 175.600 174.437 1.163 RESID 242 (I): CA 59.090 59.090 59.059 0.031 RESID 242 (I): CB 43.670 43.670 40.972 2.698 RESID 242 (I): H 7.087 7.087 7.400 -0.313 RESID 243 (I): N 125.100 125.100 126.276 -1.176 RESID 243 (I): C 175.300 175.300 174.267 1.033 RESID 243 (I): CA 60.340 60.340 60.627 -0.287 RESID 243 (I): CB 41.290 41.290 38.399 2.891 RESID 243 (I): H 8.746 8.746 8.483 0.263 RESID 244 (Q): N 128.400 128.400 127.543 0.857 RESID 244 (Q): C 175.300 175.300 174.254 1.046 RESID 244 (Q): CA 56.460 56.460 54.926 1.534 RESID 244 (Q): CB 29.800 29.800 29.770 0.030 RESID 244 (Q): H 8.768 8.768 8.602 0.166 RESID 245 (L): N 125.500 125.500 123.473 2.027 RESID 245 (L): C 176.200 176.200 176.629 -0.429 RESID 245 (L): CA 53.790 53.790 53.105 0.686 RESID 245 (L): CB 45.100 45.100 44.865 0.234 RESID 245 (L): H 8.640 8.640 8.339 0.301 RESID 246 (G): N 109.700 109.700 105.082 4.618 RESID 246 (G): C 174.200 174.200 174.327 -0.127 RESID 246 (G): CA 44.590 44.590 45.045 -0.455 RESID 246 (G): H 8.424 8.424 8.447 -0.023 RESID 247 (G): N 108.500 108.500 108.654 -0.154 RESID 247 (G): C 176.800 176.800 174.974 1.826 RESID 247 (G): CA 47.500 47.500 44.340 3.160 RESID 247 (G): H 8.666 8.666 7.743 0.923 RESID 248 (E): N 123.700 123.700 121.204 2.496 RESID 248 (E): C 177.300 177.300 176.497 0.803 RESID 248 (E): CA 58.560 58.560 57.518 1.042 RESID 248 (E): CB 29.330 29.330 29.128 0.202 RESID 248 (E): H 9.265 9.265 8.822 0.443 RESID 249 (N): N 116.700 116.700 116.690 0.010 RESID 249 (N): C 175.500 175.500 176.032 -0.532 RESID 249 (N): CA 53.490 53.490 53.546 -0.056 RESID 249 (N): CB 39.390 39.390 38.859 0.531 RESID 249 (N): H 7.963 7.963 7.855 0.108 RESID 250 (L): N 121.100 121.100 119.953 1.147 RESID 250 (L): C 177.100 177.100 178.100 -1.000 RESID 250 (L): CA 58.810 58.810 57.062 1.748 RESID 250 (L): CB 42.220 42.220 41.459 0.761 RESID 250 (L): H 7.104 7.104 7.807 -0.703 RESID 251 (A): N 117.400 117.400 122.389 -4.989 RESID 251 (A): C 179.500 179.500 178.174 1.326 RESID 251 (A): CA 55.340 55.340 54.656 0.684 RESID 251 (A): CB 17.960 17.960 18.385 -0.425 RESID 251 (A): H 8.141 8.141 8.312 -0.171 RESID 252 (A): N 117.400 117.400 118.611 -1.211 RESID 252 (A): C 179.100 179.100 178.330 0.770 RESID 252 (A): CA 53.990 53.990 52.404 1.586 RESID 252 (A): CB 18.970 18.970 18.958 0.012 RESID 252 (A): H 7.375 7.375 8.413 -1.038 RESID 253 (G): N 100.600 100.600 107.896 -7.296 RESID 253 (G): C 172.700 172.700 174.798 -2.098 RESID 253 (G): CA 45.380 45.380 45.024 0.356 RESID 253 (G): H 7.589 7.589 7.543 0.046 RESID 254 (L): N 124.800 124.800 122.852 1.948 RESID 254 (L): C 175.300 175.300 177.578 -2.278 RESID 254 (L): CA 53.020 53.020 54.865 -1.845 RESID 254 (L): CB 39.090 39.090 42.096 -3.006 RESID 254 (L): H 7.202 7.202 7.793 -0.591 RESID 255 (N): N 113.800 113.800 121.510 -7.710 RESID 255 (N): C 176.600 176.600 176.252 0.348 RESID 255 (N): CA 53.420 53.420 54.010 -0.590 RESID 255 (N): CB 37.600 37.600 38.825 -1.225 RESID 255 (N): H 7.701 7.701 8.843 -1.142 RESID 256 (G): N 109.100 109.100 106.568 2.532 RESID 256 (G): C 172.200 172.200 174.581 -2.381 RESID 256 (G): CA 45.790 45.790 45.334 0.457 RESID 256 (G): H 7.856 7.856 8.552 -0.696 RESID 257 (E): N 120.100 120.100 118.814 1.286 RESID 257 (E): C 176.900 176.900 175.587 1.313 RESID 257 (E): CA 57.880 57.880 56.610 1.270 RESID 257 (E): CB 29.760 29.760 30.579 -0.819 RESID 257 (E): H 8.443 8.443 8.637 -0.194 RESID 258 (S): N 107.500 107.500 113.711 -6.211 RESID 258 (S): C 172.500 172.500 172.423 0.077 RESID 258 (S): CA 58.010 58.010 58.542 -0.532 RESID 258 (S): CB 66.360 66.360 63.779 2.581 RESID 258 (S): H 7.176 7.176 8.017 -0.841 RESID 259 (L): N 124.900 124.900 127.585 -2.685 RESID 259 (L): C 173.900 173.900 176.473 -2.573 RESID 259 (L): CA 53.630 53.630 54.371 -0.741 RESID 259 (L): CB 46.240 46.240 42.366 3.874 RESID 259 (L): H 8.969 8.969 8.041 0.928 RESID 260 (F): N 123.700 123.700 123.042 0.658 RESID 260 (F): C 174.200 174.200 176.023 -1.823 RESID 260 (F): CA 56.460 56.460 54.943 1.517 RESID 260 (F): CB 41.560 41.560 40.481 1.079 RESID 260 (F): H 9.295 9.295 8.154 1.141 RESID 261 (L): N 123.900 123.900 120.156 3.744 RESID 261 (L): C 177.600 177.600 177.085 0.515 RESID 261 (L): CA 54.010 54.010 53.190 0.820 RESID 261 (L): CB 41.470 41.470 45.497 -4.027 RESID 261 (L): H 9.034 9.034 8.178 0.856 RESID 262 (F): N 123.800 123.800 122.379 1.421 RESID 262 (F): C 175.500 175.500 175.650 -0.150 RESID 262 (F): CA 58.850 58.850 56.849 2.001 RESID 262 (F): CB 39.930 39.930 38.498 1.432 RESID 262 (F): H 9.338 9.338 9.081 0.257 RESID 263 (A): N 121.900 121.900 124.078 -2.178 RESID 263 (A): C 175.300 175.300 177.018 -1.718 RESID 263 (A): CA 53.630 53.630 52.671 0.959 RESID 263 (A): CB 19.700 19.700 16.804 2.896 RESID 263 (A): H 8.902 8.902 8.267 0.635 RESID 264 (G): N 104.500 104.500 111.532 -7.032 RESID 264 (G): C 171.100 171.100 172.728 -1.628 RESID 264 (G): CA 45.540 45.540 45.052 0.488 RESID 264 (G): H 6.746 6.746 7.870 -1.124 RESID 265 (D): N 122.300 122.300 122.685 -0.385 RESID 265 (D): C 177.300 177.300 177.266 0.034 RESID 265 (D): CA 51.660 51.660 52.766 -1.106 RESID 265 (D): CB 42.840 42.840 42.263 0.577 RESID 265 (D): H 9.052 9.052 8.124 0.928 RESID 266 (Q): N 118.400 118.400 119.611 -1.211 RESID 266 (Q): C 177.600 177.600 177.456 0.144 RESID 266 (Q): CA 58.620 58.620 59.072 -0.452 RESID 266 (Q): CB 28.490 28.490 28.648 -0.158 RESID 266 (Q): H 8.277 8.277 8.605 -0.328 RESID 267 (K): N 117.700 117.700 118.773 -1.073 RESID 267 (K): C 180.400 180.400 178.089 2.311 RESID 267 (K): CA 59.390 59.390 59.555 -0.165 RESID 267 (K): CB 31.440 31.440 31.787 -0.347 RESID 267 (K): H 7.879 7.879 7.922 -0.043 RESID 268 (D): N 121.600 121.600 119.660 1.940 RESID 268 (D): C 177.400 177.400 178.343 -0.943 RESID 268 (D): CA 57.980 57.980 56.980 1.000 RESID 268 (D): CB 41.550 41.550 40.251 1.299 RESID 268 (D): H 7.640 7.640 8.114 -0.474 RESID 269 (A): N 121.700 121.700 121.474 0.226 RESID 269 (A): C 179.000 179.000 178.420 0.580 RESID 269 (A): CA 55.640 55.640 54.918 0.722 RESID 269 (A): CB 17.490 17.490 18.195 -0.705 RESID 269 (A): H 7.370 7.370 7.620 -0.251 RESID 270 (D): N 118.200 118.200 118.012 0.188 RESID 270 (D): C 179.300 179.300 176.505 2.795 RESID 270 (D): CA 57.570 57.570 56.293 1.277 RESID 270 (D): CB 39.860 39.860 40.248 -0.388 RESID 270 (D): H 8.735 8.735 7.962 0.773 RESID 271 (A): N 122.900 122.900 119.905 2.995 RESID 271 (A): C 180.800 180.800 179.313 1.487 RESID 271 (A): CA 55.040 55.040 53.555 1.485 RESID 271 (A): CB 18.300 18.300 19.318 -1.018 RESID 271 (A): H 7.579 7.579 7.022 0.557 RESID 272 (I): N 0.000 0.000 120.459 -120.459 RESID 272 (I): C 178.300 178.300 176.949 1.351 RESID 272 (I): CA 63.880 63.880 64.652 -0.772 RESID 272 (I): CB 35.710 35.710 38.128 -2.418 RESID 272 (I): H 7.340 7.340 8.402 -1.062 RESID 273 (Y): N 116.300 116.300 116.975 -0.675 RESID 273 (Y): C 177.000 177.000 176.769 0.231 RESID 273 (Y): CA 61.100 61.100 58.293 2.807 RESID 273 (Y): CB 37.770 37.770 35.832 1.938 RESID 273 (Y): H 7.509 7.509 7.289 0.220 RESID 274 (A): N 118.600 118.600 121.853 -3.253 RESID 274 (A): C 177.200 177.200 177.182 0.018 RESID 274 (A): CA 52.030 52.030 53.000 -0.970 RESID 274 (A): CB 19.580 19.580 19.419 0.161 RESID 274 (A): H 7.495 7.495 7.832 -0.337 RESID 275 (N): N 119.900 119.900 118.242 1.658 RESID 275 (N): C 175.700 175.700 174.006 1.694 RESID 275 (N): CA 51.030 51.030 51.370 -0.340 RESID 275 (N): CB 38.590 38.590 37.033 1.557 RESID 275 (N): H 7.200 7.200 7.954 -0.754 RESID 276 (P): C 178.900 178.900 178.488 0.412 RESID 276 (P): CA 65.190 65.190 65.455 -0.265 RESID 276 (P): CB 32.440 32.440 32.042 0.398 RESID 277 (L): N 116.700 116.700 117.423 -0.723 RESID 277 (L): C 178.000 178.000 178.895 -0.895 RESID 277 (L): CA 56.630 56.630 57.550 -0.920 RESID 277 (L): CB 41.720 41.720 41.504 0.216 RESID 277 (L): H 7.777 7.777 7.924 -0.147 RESID 278 (L): N 115.100 115.100 116.577 -1.477 RESID 278 (L): C 176.600 176.600 177.867 -1.267 RESID 278 (L): CA 53.200 53.200 54.929 -1.730 RESID 278 (L): CB 40.960 40.960 41.303 -0.343 RESID 278 (L): H 7.485 7.485 7.678 -0.193 RESID 279 (A): N 118.600 118.600 123.100 -4.500 RESID 279 (A): C 177.700 177.700 177.802 -0.102 RESID 279 (A): CA 55.090 55.090 54.368 0.722 RESID 279 (A): CB 19.710 19.710 18.599 1.111 RESID 279 (A): H 6.665 6.665 7.899 -1.234 RESID 280 (H): N 111.600 111.600 115.288 -3.688 RESID 280 (H): C 175.500 175.500 175.202 0.298 RESID 280 (H): CA 55.360 55.360 56.229 -0.869 RESID 280 (H): CB 29.540 29.540 28.641 0.899 RESID 280 (H): H 8.337 8.337 8.188 0.148 RESID 281 (L): N 124.100 124.100 122.537 1.563 RESID 281 (L): C 176.300 176.300 175.873 0.427 RESID 281 (L): CA 53.330 53.330 52.965 0.365 RESID 281 (L): CB 40.490 40.490 41.922 -1.431 RESID 281 (L): H 7.289 7.289 7.444 -0.155 RESID 282 (P): C 178.200 178.200 178.391 -0.191 RESID 282 (P): CA 66.050 66.050 65.711 0.339 RESID 282 (P): CB 32.150 32.150 31.709 0.441 RESID 283 (A): N 116.000 116.000 119.140 -3.140 RESID 283 (A): C 179.000 179.000 179.850 -0.850 RESID 283 (A): CA 55.630 55.630 55.195 0.435 RESID 283 (A): CB 19.490 19.490 18.181 1.309 RESID 283 (A): H 7.969 7.969 8.427 -0.458 RESID 284 (V): N 115.200 115.200 118.497 -3.297 RESID 284 (V): C 180.000 180.000 178.925 1.075 RESID 284 (V): CA 65.640 65.640 65.875 -0.235 RESID 284 (V): CB 32.560 32.560 30.818 1.742 RESID 284 (V): H 6.557 6.557 7.681 -1.124 RESID 285 (Q): N 121.200 121.200 120.446 0.754 RESID 285 (Q): C 178.000 178.000 177.656 0.344 RESID 285 (Q): CA 59.500 59.500 58.799 0.701 RESID 285 (Q): CB 29.080 29.080 28.604 0.476 RESID 285 (Q): H 8.581 8.581 7.829 0.752 RESID 286 (N): N 112.600 112.600 113.976 -1.376 RESID 286 (N): C 174.500 174.500 173.857 0.643 RESID 286 (N): CA 53.160 53.160 52.723 0.437 RESID 286 (N): CB 38.390 38.390 38.741 -0.351 RESID 286 (N): H 8.117 8.117 8.032 0.085 RESID 287 (K): N 118.500 118.500 116.410 2.090 RESID 287 (K): C 176.100 176.100 175.881 0.219 RESID 287 (K): CA 57.540 57.540 57.206 0.334 RESID 287 (K): CB 28.570 28.570 29.469 -0.899 RESID 287 (K): H 7.724 7.724 7.700 0.024 RESID 288 (Q): N 119.700 119.700 116.580 3.120 RESID 288 (Q): C 173.700 173.700 173.936 -0.236 RESID 288 (Q): CA 52.970 52.970 54.729 -1.759 RESID 288 (Q): CB 28.640 28.640 29.091 -0.451 RESID 288 (Q): H 8.895 8.895 8.359 0.536 RESID 289 (V): N 119.200 119.200 118.419 0.781 RESID 289 (V): C 175.100 175.100 174.833 0.267 RESID 289 (V): CA 61.600 61.600 60.945 0.655 RESID 289 (V): CB 32.610 32.610 33.548 -0.938 RESID 289 (V): H 6.246 6.246 7.459 -1.213 RESID 290 (Y): N 125.700 125.700 124.352 1.348 RESID 290 (Y): C 174.100 174.100 174.473 -0.373 RESID 290 (Y): CA 56.830 56.830 56.538 0.292 RESID 290 (Y): CB 40.950 40.950 42.385 -1.435 RESID 290 (Y): H 8.682 8.682 9.098 -0.416 RESID 291 (A): N 126.900 126.900 121.987 4.913 RESID 291 (A): C 178.300 178.300 176.796 1.504 RESID 291 (A): CA 51.560 51.560 50.374 1.185 RESID 291 (A): CB 19.670 19.670 21.238 -1.568 RESID 291 (A): H 9.057 9.057 8.649 0.408 RESID 292 (L): N 120.800 120.800 119.810 0.990 RESID 292 (L): C 175.500 175.500 176.230 -0.730 RESID 292 (L): CA 54.880 54.880 54.249 0.631 RESID 292 (L): CB 42.490 42.490 42.264 0.226 RESID 292 (L): H 8.342 8.342 8.921 -0.579 RESID 293 (G): N 107.500 107.500 103.827 3.673 RESID 293 (G): C 177.600 177.600 174.102 3.498 RESID 293 (G): CA 45.110 45.110 44.437 0.673 RESID 293 (G): H 7.973 7.973 7.386 0.587 RESID 294 (T): N 117.800 117.800 116.757 1.043 RESID 294 (T): C 176.400 176.400 176.018 0.382 RESID 294 (T): CA 65.260 65.260 65.171 0.090 RESID 294 (T): CB 68.310 68.310 69.164 -0.854 RESID 294 (T): H 8.808 8.808 8.576 0.232 RESID 295 (E): N 122.100 122.100 120.651 1.449 RESID 295 (E): C 177.700 177.700 176.760 0.940 RESID 295 (E): CA 58.540 58.540 58.355 0.185 RESID 295 (E): CB 29.010 29.010 28.806 0.204 RESID 295 (E): H 10.380 10.380 8.786 1.594 RESID 296 (T): N 103.000 103.000 108.494 -5.494 RESID 296 (T): C 173.600 173.600 174.321 -0.721 RESID 296 (T): CA 62.320 62.320 61.452 0.868 RESID 296 (T): CB 69.170 69.170 67.844 1.326 RESID 296 (T): H 7.062 7.062 7.992 -0.930 RESID 297 (F): N 121.500 121.500 123.005 -1.505 RESID 297 (F): C 174.500 174.500 175.878 -1.378 RESID 297 (F): CA 61.700 61.700 61.011 0.689 RESID 297 (F): CB 39.640 39.640 39.754 -0.114 RESID 297 (F): H 8.108 8.108 7.650 0.458 RESID 298 (R): N 116.800 116.800 119.798 -2.998 RESID 298 (R): C 176.000 176.000 175.124 0.876 RESID 298 (R): CA 54.160 54.160 55.800 -1.641 RESID 298 (R): CB 32.460 32.460 31.101 1.359 RESID 298 (R): H 7.552 7.552 8.244 -0.692 RESID 299 (L): N 125.500 125.500 126.559 -1.059 RESID 299 (L): C 174.800 174.800 174.633 0.167 RESID 299 (L): CA 54.300 54.300 53.994 0.306 RESID 299 (L): CB 41.670 41.670 43.836 -2.166 RESID 299 (L): H 8.903 8.903 8.421 0.482 RESID 300 (D): N 124.600 124.600 124.206 0.394 RESID 300 (D): C 173.400 173.400 175.630 -2.230 RESID 300 (D): CA 51.880 51.880 53.077 -1.197 RESID 300 (D): CB 43.230 43.230 42.565 0.665 RESID 300 (D): H 7.735 7.735 8.727 -0.992 RESID 301 (Y): N 118.100 118.100 121.367 -3.267 RESID 301 (Y): C 175.300 175.300 176.130 -0.830 RESID 301 (Y): CA 61.650 61.650 63.310 -1.660 RESID 301 (Y): CB 38.740 38.740 38.688 0.052 RESID 301 (Y): H 7.943 7.943 8.998 -1.055 RESID 302 (Y): N 112.300 112.300 115.363 -3.063 RESID 302 (Y): C 180.800 180.800 177.612 3.188 RESID 302 (Y): CA 61.970 61.970 60.880 1.090 RESID 302 (Y): CB 37.990 37.990 37.989 0.002 RESID 302 (Y): H 7.309 7.309 8.110 -0.801 RESID 303 (S): N 119.100 119.100 115.829 3.271 RESID 303 (S): C 176.300 176.300 176.510 -0.210 RESID 303 (S): CA 60.690 60.690 61.535 -0.845 RESID 303 (S): CB 63.180 63.180 62.675 0.505 RESID 303 (S): H 9.411 9.411 9.417 -0.006 RESID 304 (A): N 126.900 126.900 125.536 1.364 RESID 304 (A): C 180.400 180.400 179.359 1.041 RESID 304 (A): CA 56.000 56.000 54.882 1.118 RESID 304 (A): CB 18.040 18.040 17.926 0.114 RESID 304 (A): H 8.860 8.860 7.901 0.959 RESID 305 (M): N 116.600 116.600 118.004 -1.404 RESID 305 (M): C 179.300 179.300 178.888 0.412 RESID 305 (M): CA 57.880 57.880 59.760 -1.880 RESID 305 (M): CB 31.350 31.350 32.373 -1.022 RESID 305 (M): H 7.346 7.346 7.513 -0.167 RESID 306 (Q): N 119.300 119.300 118.751 0.549 RESID 306 (Q): C 179.000 179.000 178.841 0.159 RESID 306 (Q): CA 59.410 59.410 58.876 0.534 RESID 306 (Q): CB 28.450 28.450 28.820 -0.370 RESID 306 (Q): H 7.633 7.633 7.783 -0.150 RESID 308 (L): C 178.700 178.700 178.485 0.215 RESID 308 (L): CA 58.690 58.690 58.421 0.269 RESID 308 (L): CB 41.790 41.790 41.382 0.408 RESID 309 (D): N 119.100 119.100 119.070 0.030 RESID 309 (D): C 179.600 179.600 178.885 0.715 RESID 309 (D): CA 57.830 57.830 57.553 0.277 RESID 309 (D): CB 40.820 40.820 40.330 0.490 RESID 309 (D): H 7.984 7.984 8.043 -0.059 RESID 310 (R): N 121.700 121.700 120.610 1.090 RESID 310 (R): C 178.900 178.900 178.729 0.171 RESID 310 (R): CA 58.590 58.590 59.190 -0.600 RESID 310 (R): CB 29.820 29.820 30.149 -0.329 RESID 310 (R): H 8.463 8.463 7.593 0.870 RESID 311 (L): N 119.200 119.200 119.915 -0.715 RESID 311 (L): C 178.800 178.800 178.735 0.065 RESID 311 (L): CA 58.380 58.380 58.111 0.269 RESID 311 (L): CB 42.340 42.340 41.839 0.501 RESID 311 (L): H 8.489 8.489 8.322 0.167 RESID 312 (K): N 116.500 116.500 118.723 -2.223 RESID 312 (K): C 178.000 178.000 178.402 -0.402 RESID 312 (K): CA 59.250 59.250 59.170 0.080 RESID 312 (K): CB 32.440 32.440 32.496 -0.056 RESID 312 (K): H 7.955 7.955 8.189 -0.234 RESID 313 (A): N 119.500 119.500 120.798 -1.298 RESID 313 (A): C 180.000 180.000 178.645 1.355 RESID 313 (A): CA 53.920 53.920 53.282 0.638 RESID 313 (A): CB 18.800 18.800 19.253 -0.453 RESID 313 (A): H 7.427 7.427 7.744 -0.317 RESID 314 (L): N 119.500 119.500 119.164 0.336 RESID 314 (L): C 177.400 177.400 176.443 0.957 RESID 314 (L): CA 56.770 56.770 57.234 -0.464 RESID 314 (L): CB 43.730 43.730 42.349 1.381 RESID 314 (L): H 7.431 7.431 8.134 -0.703 N HA C CA CB H RESID 26 (W): -3.418 ----- -0.880 0.333 3.240 0.252 RESID 27 (P): ----- ----- -0.024 -0.282 4.927 ----- RESID 28 (R): -3.787 ----- -1.426 0.737 0.768 0.097 RESID 29 (Q): -0.811 ----- 0.561 -1.306 1.442 -0.093 RESID 30 (I): -1.760 ----- 0.637 -0.876 -0.551 1.038 RESID 31 (T): 3.255 ----- 0.722 -1.327 1.050 0.588 RESID 32 (D): 5.770 ----- 1.437 0.719 -0.620 1.437 RESID 33 (S): -4.471 ----- -0.425 0.365 -0.437 -0.204 RESID 34 (R): -2.550 ----- -0.829 -3.521 0.128 0.606 RESID 35 (G): 5.157 ----- -2.290 -0.511 ----- -0.780 RESID 36 (T): 0.454 ----- 0.970 0.065 -0.178 0.542 RESID 37 (H): 0.473 ----- 0.729 -1.334 -2.055 0.365 RESID 38 (T): 3.740 ----- 1.261 2.049 -1.249 1.398 RESID 39 (L): 7.161 ----- 0.020 0.511 -0.952 0.413 RESID 40 (E): -1.601 ----- -0.331 0.272 0.494 0.119 RESID 41 (S): -1.755 ----- -1.470 -0.889 0.596 -0.160 RESID 42 (Q): 3.302 ----- -0.142 -2.061 0.571 -1.272 RESID 43 (P): ----- ----- -0.350 0.738 0.100 ----- RESID 44 (Q): 2.555 ----- -0.609 -1.460 2.890 2.634 RESID 45 (R): 8.232 ----- 0.502 0.071 0.013 2.440 RESID 47 (V): ----- ----- 0.363 -0.280 -0.259 ----- RESID 48 (S): -1.988 ----- 1.907 -1.868 -1.097 -0.640 RESID 49 (T): 4.107 ----- -2.982 0.932 -0.387 -0.366 RESID 50 (S): -0.229 ----- -0.660 -1.942 -0.202 -0.106 RESID 51 (V): 5.299 ----- -2.732 -0.410 -0.221 0.201 RESID 52 (T): 0.831 ----- 3.389 0.451 0.475 -0.171 RESID 53 (L): 1.425 ----- 0.532 -0.751 0.865 -0.511 RESID 54 (T): 1.761 ----- -1.743 -0.661 ----- -0.098 RESID 55 (G): -3.686 ----- -0.182 0.319 ----- -1.280 RESID 56 (S): -0.789 ----- -1.154 1.937 1.970 -1.265 RESID 58 (L): ----- ----- 1.794 -0.278 -0.122 ----- RESID 59 (A): -0.798 ----- -0.308 0.737 -0.325 -0.291 RESID 60 (I): ----- ----- -1.540 0.151 0.458 ----- RESID 61 (D): -2.386 ----- 0.239 0.050 -0.030 0.001 RESID 62 (A): -3.299 ----- 2.628 -1.093 -1.735 0.158 RESID 63 (P): ----- ----- -2.143 0.443 -4.904 ----- RESID 64 (V): 4.001 ----- -0.923 -1.440 -0.818 0.436 RESID 65 (I): -4.303 ----- 1.537 -3.029 1.270 0.194 RESID 66 (A): 4.296 ----- -0.090 0.647 1.466 -0.425 RESID 67 (S): -5.018 ----- 2.257 -2.088 -2.433 0.244 RESID 68 (G): 5.650 ----- -1.610 2.075 ----- -1.115 RESID 69 (A): -3.638 ----- 2.715 -1.159 2.077 -0.807 RESID 70 (T): 5.694 ----- -2.711 -3.149 1.004 1.082 RESID 71 (T): -5.159 ----- -0.409 0.045 1.537 -0.808 RESID 72 (P): ----- ----- 0.985 -0.190 0.730 ----- RESID 73 (N): -4.622 ----- -1.619 0.737 -1.459 -0.700 RESID 74 (N): ----- ----- -1.180 4.991 0.343 ----- RESID 75 (R): -6.348 ----- -0.155 1.077 1.069 -0.285 RESID 76 (V): -10.248 ----- 0.055 -2.936 2.036 -0.825 RESID 77 (A): 5.862 ----- -1.069 -1.033 5.127 0.718 RESID 78 (D): 1.762 ----- 2.203 -0.940 0.357 0.430 RESID 79 (D): 0.824 ----- 0.278 1.091 0.876 -0.165 RESID 80 (Q): -4.351 ----- -1.182 -1.514 2.420 -0.179 RESID 81 (G): 0.001 ----- 0.860 0.949 ----- -0.647 RESID 82 (F): 0.644 ----- -0.433 -4.275 -2.651 0.302 RESID 83 (L): ----- ----- 0.953 0.352 -3.507 ----- RESID 84 (R): 0.286 ----- 0.754 3.441 1.648 -0.683 RESID 85 (Q): -2.573 ----- -2.682 0.193 -3.164 1.852 RESID 86 (W): -6.501 ----- -1.771 -5.052 -2.073 -1.940 RESID 87 (S): 3.709 ----- 1.455 0.621 ----- -1.247 RESID 88 (K): -3.935 ----- 0.180 0.478 -0.088 0.984 RESID 89 (V): 6.372 ----- 0.806 0.090 0.499 -0.690 RESID 90 (A): -0.390 ----- 1.100 1.392 1.438 0.683 RESID 91 (K): -0.441 ----- 3.029 0.998 0.004 -0.244 RESID 92 (E): 5.089 ----- 1.501 2.282 -0.660 0.477 RESID 93 (R): -3.136 ----- 0.329 0.792 -1.526 -0.276 RESID 94 (K): 1.772 ----- 0.664 -0.655 -1.427 -0.696 RESID 95 (L): -1.068 ----- 0.293 0.720 1.043 0.073 RESID 96 (Q): 0.448 ----- -0.964 0.628 0.333 -0.874 RESID 97 (R): 6.471 ----- 0.576 -1.061 1.630 0.499 RESID 98 (L): 3.502 ----- -0.403 2.442 3.319 -0.458 RESID 99 (Y): -2.073 ----- -1.386 -0.826 -0.989 -1.358 RESID 100 (I): -6.205 ----- -0.349 -1.798 3.576 0.107 RESID 101 (G): 0.892 ----- -0.707 2.206 ----- -0.264 RESID 102 (E): 10.898 ----- -0.780 0.477 2.027 0.285 RESID 103 (P): ----- ----- -0.927 -1.495 -0.110 ----- RESID 104 (S): -4.811 ----- 0.113 -2.624 -0.010 -2.524 RESID 105 (A): 0.236 ----- 0.315 0.781 -0.838 0.305 RESID 106 (E): 0.371 ----- 0.445 1.245 -0.472 0.137 RESID 107 (A): -0.789 ----- 0.317 -0.435 0.851 -0.165 RESID 108 (V): -1.673 ----- -0.935 1.152 0.331 -0.532 RESID 109 (A): -1.977 ----- 1.741 0.528 -0.219 0.085 RESID 110 (A): -0.748 ----- 0.263 -0.254 -0.037 -0.319 RESID 111 (Q): -1.038 ----- -1.032 0.951 -0.170 -0.291 RESID 112 (M): -6.288 ----- 0.034 0.324 -1.486 -0.039 RESID 113 (P): ----- ----- 0.419 0.274 0.295 ----- RESID 114 (D): -2.121 ----- -0.028 -2.060 -1.980 0.637 RESID 115 (L): ----- ----- 0.589 -1.315 ----- ----- RESID 116 (I): -2.625 ----- ----- 0.183 ----- 1.242 RESID 118 (I): ----- ----- -1.049 0.463 1.227 ----- RESID 119 (S): -0.007 ----- 0.594 -0.584 0.697 1.006 RESID 120 (A): 1.335 ----- -0.547 -0.052 1.518 -0.551 RESID 121 (T): -3.969 ----- -0.154 -2.480 1.600 -0.242 RESID 122 (G): -6.669 ----- 3.061 -0.757 ----- 0.160 RESID 123 (G): ----- ----- -0.225 1.034 ----- ----- RESID 124 (D): -2.248 ----- 1.175 -0.566 0.036 0.888 RESID 125 (S): -3.968 ----- 1.729 0.112 0.107 -1.115 RESID 126 (A): 4.862 ----- -1.959 -2.351 -2.243 0.206 RESID 127 (L): -0.023 ----- 0.570 1.457 1.225 -0.795 RESID 128 (A): 3.498 ----- 0.788 0.857 -0.494 1.299 RESID 129 (L): 0.609 ----- -0.864 -1.312 -0.406 0.350 RESID 130 (Y): -0.848 ----- 0.351 1.477 1.034 -1.098 RESID 131 (D): 1.201 ----- -0.112 0.612 0.274 0.906 RESID 132 (Q): -0.985 ----- 0.210 0.352 0.549 -0.163 RESID 133 (L): -0.511 ----- -0.699 0.208 -0.803 -0.371 RESID 134 (S): -2.979 ----- -0.590 -0.198 0.723 -0.349 RESID 135 (T): -4.918 ----- -1.325 -2.081 0.655 -0.608 RESID 136 (I): 3.895 ----- 0.219 -0.086 0.303 0.327 RESID 137 (A): 1.869 ----- -1.691 -0.094 -0.180 -0.439 RESID 138 (P): ----- ----- -1.452 1.039 0.110 ----- RESID 139 (T): 2.223 ----- -0.003 -1.477 1.809 -0.172 RESID 140 (L): ----- ----- 0.580 -0.679 0.483 ----- RESID 141 (I): -1.951 ----- 0.917 -0.840 0.876 1.394 RESID 142 (I): 2.203 ----- 0.448 -1.950 -2.558 -0.004 RESID 143 (N): 4.681 ----- 0.537 -1.915 0.066 0.740 RESID 144 (Y): -6.189 ----- 1.681 -3.857 -0.067 -0.078 RESID 145 (D): 0.963 ----- 1.784 -0.219 3.348 0.460 RESID 146 (D): 3.932 ----- -0.093 -0.369 -1.665 -1.020 RESID 147 (K): -5.670 ----- -0.271 -1.543 -1.859 -0.526 RESID 148 (S): -0.429 ----- -0.387 -0.048 0.692 0.205 RESID 149 (W): 1.789 ----- 2.077 1.302 -0.725 -0.133 RESID 150 (Q): 3.252 ----- 0.273 3.380 -1.182 1.616 RESID 151 (S): 1.297 ----- 0.482 0.658 0.702 0.025 RESID 152 (L): 2.311 ----- 0.567 0.380 0.290 0.040 RESID 153 (L): 0.599 ----- 1.039 1.441 -0.099 0.946 RESID 154 (T): 3.500 ----- 0.311 1.320 0.535 0.138 RESID 155 (Q): 3.516 ----- 1.205 1.368 0.277 0.312 RESID 156 (L): ----- ----- 1.642 0.638 -0.126 ----- RESID 157 (G): 5.768 ----- -0.573 1.797 ----- 1.242 RESID 158 (E): 4.857 ----- 0.660 1.280 0.315 0.014 RESID 160 (T): ----- ----- 2.316 -1.207 2.636 ----- RESID 161 (G): -0.222 ----- 0.465 1.244 ----- -0.876 RESID 162 (H): 5.017 ----- -2.147 -0.456 -3.005 0.673 RESID 163 (E): 1.747 ----- 2.337 1.456 -0.444 1.539 RESID 164 (K): 0.208 ----- -0.087 -0.468 0.307 0.399 RESID 165 (Q): 2.234 ----- 0.669 2.027 -0.261 -0.489 RESID 166 (A): -1.314 ----- -1.427 1.324 0.230 -0.094 RESID 167 (A): -3.033 ----- 1.878 -0.156 -0.304 -1.096 RESID 168 (E): 1.530 ----- 0.470 -0.002 0.455 0.322 RESID 170 (I): ----- ----- 0.005 1.580 1.357 ----- RESID 171 (A): -2.510 ----- 1.359 -0.346 0.148 -0.770 RESID 172 (Q): 2.574 ----- 0.615 0.709 -0.262 0.645 RESID 173 (F): -0.100 ----- -1.000 1.613 0.357 -0.333 RESID 174 (D): 0.888 ----- 1.422 0.543 -0.094 -0.271 RESID 175 (K): 1.075 ----- 1.165 -0.012 0.314 -0.044 RESID 176 (Q): 2.086 ----- 0.767 -0.481 -0.533 0.348 RESID 177 (L): 6.024 ----- -0.269 2.664 -0.161 1.207 RESID 178 (A): -1.067 ----- 1.367 0.200 0.088 -0.541 RESID 179 (A): -0.814 ----- 0.705 0.326 -0.400 0.047 RESID 180 (A): -0.022 ----- 0.097 0.739 -0.255 0.172 RESID 181 (K): 0.150 ----- -0.099 0.633 0.696 0.031 RESID 182 (E): -2.165 ----- -0.138 0.754 1.060 -0.606 RESID 183 (Q): -0.703 ----- 1.020 0.224 0.428 -0.173 RESID 184 (I): 1.941 ----- 0.954 3.248 0.345 0.294 RESID 185 (K): 4.716 ----- -0.032 -0.574 -2.894 0.828 RESID 186 (L): -1.068 ----- -0.214 2.347 0.381 -0.423 RESID 188 (P): ----- ----- -1.451 1.462 0.992 ----- RESID 189 (Q): 0.267 ----- 1.872 -2.391 0.966 -0.163 RESID 190 (P): ----- ----- -0.053 0.340 2.640 ----- RESID 191 (V): -9.074 ----- 0.329 0.218 0.345 0.730 RESID 192 (T): 7.362 ----- 0.204 3.489 0.298 0.134 RESID 193 (A): 9.867 ----- -0.012 -0.550 -0.310 1.610 RESID 194 (I): -2.058 ----- 2.907 -0.473 1.813 0.727 RESID 195 (V): -4.270 ----- 2.129 1.807 0.206 -0.167 RESID 196 (Y): 2.710 ----- 0.556 -0.413 1.098 1.010 RESID 197 (T): 1.529 ----- 0.923 0.116 -3.035 0.435 RESID 198 (A): -0.300 ----- 1.194 1.168 0.082 -0.332 RESID 199 (A): -4.819 ----- -1.018 -0.505 0.399 0.296 RESID 200 (A): -3.831 ----- -0.644 -0.783 1.320 -1.464 RESID 201 (H): 0.361 ----- -0.509 0.368 -0.419 -0.210 RESID 202 (S): -3.928 ----- 0.055 -1.079 -0.113 -0.691 RESID 203 (A): -2.916 ----- -0.380 -0.529 2.314 0.313 RESID 204 (N): 0.084 ----- -0.152 -0.545 -2.090 0.111 RESID 205 (L): 5.497 ----- 0.129 0.855 1.584 1.646 RESID 206 (W): 1.638 ----- 0.644 -0.746 -1.127 0.656 RESID 207 (T): 1.815 ----- 2.815 0.881 -1.852 -0.107 RESID 208 (P): ----- ----- -0.855 0.708 -0.214 ----- RESID 209 (E): -2.710 ----- 0.295 0.083 -0.392 -0.353 RESID 210 (S): 0.734 ----- -1.621 -1.149 2.854 0.227 RESID 211 (A): -2.169 ----- 0.755 0.085 -0.235 -0.150 RESID 212 (Q): 0.569 ----- -0.916 2.444 -0.334 0.014 RESID 213 (G): -0.160 ----- -0.914 0.697 ----- -0.239 RESID 214 (Q): -0.807 ----- 0.605 0.275 0.422 0.419 RESID 215 (M): -1.409 ----- -0.381 0.112 -0.791 -0.296 RESID 216 (L): -3.023 ----- 0.865 0.492 -1.439 -0.463 RESID 217 (E): 1.358 ----- 2.939 1.276 -0.272 0.190 RESID 218 (Q): 5.175 ----- -0.801 0.955 -0.270 0.537 RESID 219 (L): 0.595 ----- -2.236 -1.371 1.452 -0.368 RESID 220 (G): 1.911 ----- 1.778 0.057 ----- -0.392 RESID 221 (F): 0.216 ----- 0.866 1.947 -3.863 0.225 RESID 222 (T): 1.603 ----- 0.524 0.601 1.619 0.396 RESID 223 (L): 1.216 ----- 1.659 1.363 -1.163 1.061 RESID 224 (A): -1.309 ----- 1.536 1.472 -2.188 0.961 RESID 225 (K): 2.282 ----- 0.615 0.026 0.177 0.239 RESID 226 (L): -1.801 ----- -0.108 -0.527 0.473 0.113 RESID 227 (P): ----- ----- -0.277 -0.045 0.179 ----- RESID 228 (A): 0.041 ----- 1.002 0.704 0.004 -0.102 RESID 229 (G): 0.188 ----- -0.965 0.615 ----- 0.461 RESID 230 (L): -1.160 ----- -1.480 0.091 0.958 -0.406 RESID 231 (N): -0.448 ----- -0.631 -2.495 0.948 0.200 RESID 232 (A): 4.544 ----- -0.309 1.244 1.144 0.159 RESID 233 (S): -0.488 ----- -0.348 -2.114 0.964 -0.310 RESID 234 (Q): 1.167 ----- 0.542 0.039 -1.440 0.518 RESID 235 (S): -1.066 ----- 0.236 0.017 1.654 -0.209 RESID 236 (Q): -4.819 ----- 1.249 1.101 1.672 -0.459 RESID 237 (G): 1.351 ----- 1.138 0.253 ----- 0.797 RESID 238 (K): -0.942 ----- 1.116 0.453 0.570 -0.389 RESID 239 (R): -4.123 ----- ----- 0.191 0.650 -0.344 RESID 240 (H): ----- ----- -1.701 -2.915 -0.314 ----- RESID 241 (D): 0.563 ----- -1.567 -0.473 -0.666 0.667 RESID 242 (I): 0.300 ----- 1.163 0.031 2.698 -0.313 RESID 243 (I): -1.176 ----- 1.033 -0.287 2.891 0.263 RESID 244 (Q): 0.857 ----- 1.046 1.534 0.030 0.166 RESID 245 (L): 2.027 ----- -0.429 0.686 0.234 0.301 RESID 246 (G): 4.618 ----- -0.127 -0.455 ----- -0.023 RESID 247 (G): -0.154 ----- 1.826 3.160 ----- 0.923 RESID 248 (E): 2.496 ----- 0.803 1.042 0.202 0.443 RESID 249 (N): 0.010 ----- -0.532 -0.056 0.531 0.108 RESID 250 (L): 1.147 ----- -1.000 1.748 0.761 -0.703 RESID 251 (A): -4.989 ----- 1.326 0.684 -0.425 -0.171 RESID 252 (A): -1.211 ----- 0.770 1.586 0.012 -1.038 RESID 253 (G): -7.296 ----- -2.098 0.356 ----- 0.046 RESID 254 (L): 1.948 ----- -2.278 -1.845 -3.006 -0.591 RESID 255 (N): -7.710 ----- 0.348 -0.590 -1.225 -1.142 RESID 256 (G): 2.532 ----- -2.381 0.457 ----- -0.696 RESID 257 (E): 1.286 ----- 1.313 1.270 -0.819 -0.194 RESID 258 (S): -6.211 ----- 0.077 -0.532 2.581 -0.841 RESID 259 (L): -2.685 ----- -2.573 -0.741 3.874 0.928 RESID 260 (F): 0.658 ----- -1.823 1.517 1.079 1.141 RESID 261 (L): 3.744 ----- 0.515 0.820 -4.027 0.856 RESID 262 (F): 1.421 ----- -0.150 2.001 1.432 0.257 RESID 263 (A): -2.178 ----- -1.718 0.959 2.896 0.635 RESID 264 (G): -7.032 ----- -1.628 0.488 ----- -1.124 RESID 265 (D): -0.385 ----- 0.034 -1.106 0.577 0.928 RESID 266 (Q): -1.211 ----- 0.144 -0.452 -0.158 -0.328 RESID 267 (K): -1.073 ----- 2.311 -0.165 -0.347 -0.043 RESID 268 (D): 1.940 ----- -0.943 1.000 1.299 -0.474 RESID 269 (A): 0.226 ----- 0.580 0.722 -0.705 -0.251 RESID 270 (D): 0.188 ----- 2.795 1.277 -0.388 0.773 RESID 271 (A): 2.995 ----- 1.487 1.485 -1.018 0.557 RESID 272 (I): -120.459 ----- 1.351 -0.772 -2.418 -1.062 RESID 273 (Y): -0.675 ----- 0.231 2.807 1.938 0.220 RESID 274 (A): -3.253 ----- 0.018 -0.970 0.161 -0.337 RESID 275 (N): 1.658 ----- 1.694 -0.340 1.557 -0.754 RESID 276 (P): ----- ----- 0.412 -0.265 0.398 ----- RESID 277 (L): -0.723 ----- -0.895 -0.920 0.216 -0.147 RESID 278 (L): -1.477 ----- -1.267 -1.730 -0.343 -0.193 RESID 279 (A): -4.500 ----- -0.102 0.722 1.111 -1.234 RESID 280 (H): -3.688 ----- 0.298 -0.869 0.899 0.148 RESID 281 (L): 1.563 ----- 0.427 0.365 -1.431 -0.155 RESID 282 (P): ----- ----- -0.191 0.339 0.441 ----- RESID 283 (A): -3.140 ----- -0.850 0.435 1.309 -0.458 RESID 284 (V): -3.297 ----- 1.075 -0.235 1.742 -1.124 RESID 285 (Q): 0.754 ----- 0.344 0.701 0.476 0.752 RESID 286 (N): -1.376 ----- 0.643 0.437 -0.351 0.085 RESID 287 (K): 2.090 ----- 0.219 0.334 -0.899 0.024 RESID 288 (Q): 3.120 ----- -0.236 -1.759 -0.451 0.536 RESID 289 (V): 0.781 ----- 0.267 0.655 -0.938 -1.213 RESID 290 (Y): 1.348 ----- -0.373 0.292 -1.435 -0.416 RESID 291 (A): 4.913 ----- 1.504 1.185 -1.568 0.408 RESID 292 (L): 0.990 ----- -0.730 0.631 0.226 -0.579 RESID 293 (G): 3.673 ----- 3.498 0.673 ----- 0.587 RESID 294 (T): 1.043 ----- 0.382 0.090 -0.854 0.232 RESID 295 (E): 1.449 ----- 0.940 0.185 0.204 1.594 RESID 296 (T): -5.494 ----- -0.721 0.868 1.326 -0.930 RESID 297 (F): -1.505 ----- -1.378 0.689 -0.114 0.458 RESID 298 (R): -2.998 ----- 0.876 -1.641 1.359 -0.692 RESID 299 (L): -1.059 ----- 0.167 0.306 -2.166 0.482 RESID 300 (D): 0.394 ----- -2.230 -1.197 0.665 -0.992 RESID 301 (Y): -3.267 ----- -0.830 -1.660 0.052 -1.055 RESID 302 (Y): -3.063 ----- 3.188 1.090 0.002 -0.801 RESID 303 (S): 3.271 ----- -0.210 -0.845 0.505 -0.006 RESID 304 (A): 1.364 ----- 1.041 1.118 0.114 0.959 RESID 305 (M): -1.404 ----- 0.412 -1.880 -1.022 -0.167 RESID 306 (Q): 0.549 ----- 0.159 0.534 -0.370 -0.150 RESID 308 (L): ----- ----- 0.215 0.269 0.408 ----- RESID 309 (D): 0.030 ----- 0.715 0.277 0.490 -0.059 RESID 310 (R): 1.090 ----- 0.171 -0.600 -0.329 0.870 RESID 311 (L): -0.715 ----- 0.065 0.269 0.501 0.167 RESID 312 (K): -2.223 ----- -0.402 0.080 -0.056 -0.234 RESID 313 (A): -1.298 ----- 1.355 0.638 -0.453 -0.317 RESID 314 (L): 0.336 ----- 0.957 -0.464 1.381 -0.703 DATA CS_STAT_INFO N RMS: 8.226 ppm Count: 256 Average Difference: 0.478 +/- 8.228 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.227 ppm Count: 281 Average Difference: -0.159 +/- 1.218 ppm DATA CS_STAT_INFO CA RMS: 1.338 ppm Count: 283 Average Difference: -0.099 +/- 1.337 ppm DATA CS_STAT_INFO CB RMS: 1.424 ppm Count: 260 Average Difference: -0.158 +/- 1.418 ppm DATA CS_STAT_INFO HN RMS: 0.719 ppm Count: 256 Average Difference: -0.016 +/- 0.720 ppm ############################################################################ For conformer 12: Atom Original Corrected SPARTA Difference RESID 25 (D): N 120.600 120.600 120.577 0.023 RESID 25 (D): C 174.400 174.400 175.902 -1.502 RESID 25 (D): CA 55.230 55.230 53.068 2.162 RESID 25 (D): CB 41.340 41.340 41.834 -0.494 RESID 25 (D): H 8.275 8.275 8.212 0.063 RESID 26 (W): N 120.100 120.100 123.584 -3.484 RESID 26 (W): C 174.200 174.200 175.065 -0.865 RESID 26 (W): CA 55.330 55.330 54.970 0.360 RESID 26 (W): CB 31.090 31.090 27.855 3.236 RESID 26 (W): H 7.788 7.788 7.541 0.247 RESID 27 (P): C 175.900 175.900 175.911 -0.011 RESID 27 (P): CA 62.800 62.800 63.083 -0.283 RESID 27 (P): CB 37.260 37.260 32.321 4.939 RESID 28 (R): N 118.000 118.000 121.814 -3.814 RESID 28 (R): C 173.700 173.700 175.108 -1.408 RESID 28 (R): CA 55.160 55.160 54.423 0.737 RESID 28 (R): CB 33.430 33.430 32.661 0.769 RESID 28 (R): H 8.686 8.686 8.615 0.071 RESID 29 (Q): N 120.800 120.800 121.699 -0.899 RESID 29 (Q): C 175.500 175.500 174.910 0.590 RESID 29 (Q): CA 54.780 54.780 56.031 -1.250 RESID 29 (Q): CB 30.700 30.700 29.248 1.452 RESID 29 (Q): H 8.506 8.506 8.588 -0.082 RESID 30 (I): N 124.300 124.300 126.120 -1.820 RESID 30 (I): C 175.700 175.700 175.135 0.565 RESID 30 (I): CA 58.520 58.520 59.441 -0.920 RESID 30 (I): CB 40.680 40.680 41.135 -0.455 RESID 30 (I): H 9.002 9.002 7.914 1.088 RESID 31 (T): N 125.200 125.200 121.987 3.213 RESID 31 (T): C 174.400 174.400 173.690 0.710 RESID 31 (T): CA 62.150 62.150 63.432 -1.282 RESID 31 (T): CB 70.640 70.640 69.590 1.050 RESID 31 (T): H 8.989 8.989 8.402 0.587 RESID 32 (D): N 129.500 129.500 123.891 5.609 RESID 32 (D): C 177.400 177.400 175.959 1.441 RESID 32 (D): CA 52.630 52.630 51.820 0.810 RESID 32 (D): CB 42.950 42.950 43.455 -0.505 RESID 32 (D): H 9.389 9.389 7.979 1.410 RESID 33 (S): N 111.900 111.900 116.289 -4.389 RESID 33 (S): C 175.600 175.600 176.169 -0.569 RESID 33 (S): CA 60.920 60.920 60.464 0.456 RESID 33 (S): CB 63.430 63.430 63.830 -0.400 RESID 33 (S): H 8.075 8.075 8.287 -0.212 RESID 34 (R): N 120.600 120.600 123.002 -2.402 RESID 34 (R): C 176.100 176.100 176.729 -0.629 RESID 34 (R): CA 55.020 55.020 58.682 -3.662 RESID 34 (R): CB 30.850 30.850 30.680 0.170 RESID 34 (R): H 8.433 8.433 7.945 0.488 RESID 35 (G): N 108.900 108.900 103.715 5.185 RESID 35 (G): C 171.200 171.200 173.451 -2.251 RESID 35 (G): CA 45.060 45.060 45.560 -0.500 RESID 35 (G): H 7.837 7.837 8.594 -0.757 RESID 36 (T): N 116.300 116.300 116.166 0.134 RESID 36 (T): C 173.800 173.800 173.017 0.783 RESID 36 (T): CA 62.670 62.670 62.648 0.022 RESID 36 (T): CB 70.000 70.000 70.070 -0.070 RESID 36 (T): H 8.192 8.192 7.609 0.583 RESID 37 (H): N 125.800 125.800 125.311 0.489 RESID 37 (H): C 174.000 174.000 173.279 0.721 RESID 37 (H): CA 54.060 54.060 55.332 -1.272 RESID 37 (H): CB 31.020 31.020 33.029 -2.009 RESID 37 (H): H 8.986 8.986 8.625 0.361 RESID 38 (T): N 121.500 121.500 117.046 4.454 RESID 38 (T): C 174.200 174.200 172.808 1.392 RESID 38 (T): CA 63.190 63.190 61.067 2.123 RESID 38 (T): CB 70.080 70.080 71.329 -1.248 RESID 38 (T): H 9.101 9.101 7.493 1.608 RESID 39 (L): N 129.600 129.600 122.347 7.253 RESID 39 (L): C 176.900 176.900 176.805 0.095 RESID 39 (L): CA 53.990 53.990 53.472 0.518 RESID 39 (L): CB 43.160 43.160 44.102 -0.942 RESID 39 (L): H 9.145 9.145 8.685 0.460 RESID 40 (E): N 124.300 124.300 125.816 -1.516 RESID 40 (E): C 175.600 175.600 175.927 -0.327 RESID 40 (E): CA 59.420 59.420 59.154 0.266 RESID 40 (E): CB 30.710 30.710 30.220 0.490 RESID 40 (E): H 9.164 9.164 9.026 0.138 RESID 41 (S): N 108.300 108.300 110.179 -1.879 RESID 41 (S): C 171.700 171.700 173.200 -1.500 RESID 41 (S): CA 56.270 56.270 57.165 -0.895 RESID 41 (S): CB 65.420 65.420 64.789 0.631 RESID 41 (S): H 7.326 7.326 7.485 -0.159 RESID 42 (Q): N 123.900 123.900 120.562 3.338 RESID 42 (Q): C 174.600 174.600 174.747 -0.147 RESID 42 (Q): CA 53.730 53.730 55.784 -2.054 RESID 42 (Q): CB 28.470 28.470 27.917 0.553 RESID 42 (Q): H 7.339 7.339 8.602 -1.263 RESID 43 (P): C 176.300 176.300 176.619 -0.319 RESID 43 (P): CA 64.080 64.080 63.318 0.762 RESID 43 (P): CB 32.510 32.510 32.407 0.103 RESID 44 (Q): N 125.100 125.100 122.565 2.535 RESID 44 (Q): C 175.400 175.400 176.000 -0.600 RESID 44 (Q): CA 55.780 55.780 57.267 -1.486 RESID 44 (Q): CB 32.660 32.660 29.805 2.855 RESID 44 (Q): H 11.160 11.160 8.542 2.618 RESID 45 (R): N 125.700 125.700 117.409 8.291 RESID 45 (R): C 174.600 174.600 174.103 0.497 RESID 45 (R): CA 55.310 55.310 55.219 0.091 RESID 45 (R): CB 33.070 33.070 33.114 -0.044 RESID 45 (R): H 10.010 10.010 7.549 2.461 RESID 47 (V): C 174.700 174.700 174.360 0.340 RESID 47 (V): CA 60.970 60.970 61.246 -0.276 RESID 47 (V): CB 34.140 34.140 34.278 -0.138 RESID 48 (S): N 118.300 118.300 120.421 -2.121 RESID 48 (S): C 175.500 175.500 173.400 2.100 RESID 48 (S): CA 55.700 55.700 57.446 -1.746 RESID 48 (S): CB 64.750 64.750 65.864 -1.114 RESID 48 (S): H 7.852 7.852 8.457 -0.605 RESID 49 (T): N 116.800 116.800 111.570 5.230 RESID 49 (T): C 171.500 171.500 174.305 -2.805 RESID 49 (T): CA 62.400 62.400 61.508 0.892 RESID 49 (T): CB 69.320 69.320 69.568 -0.248 RESID 49 (T): H 8.283 8.283 8.377 -0.094 RESID 50 (S): N 116.200 116.200 116.587 -0.387 RESID 50 (S): C 174.600 174.600 175.193 -0.593 RESID 50 (S): CA 54.640 54.640 56.647 -2.007 RESID 50 (S): CB 64.000 64.000 64.090 -0.090 RESID 50 (S): H 7.627 7.627 7.736 -0.109 RESID 51 (V): N 134.300 134.300 129.091 5.209 RESID 51 (V): C 175.100 175.100 177.832 -2.732 RESID 51 (V): CA 65.620 65.620 66.047 -0.427 RESID 51 (V): CB 31.790 31.790 31.979 -0.189 RESID 51 (V): H 9.218 9.218 9.004 0.214 RESID 52 (T): N 117.000 117.000 116.149 0.851 RESID 52 (T): C 179.700 179.700 176.343 3.357 RESID 52 (T): CA 67.390 67.390 66.885 0.505 RESID 52 (T): CB 69.130 69.130 68.633 0.497 RESID 52 (T): H 7.841 7.841 8.030 -0.189 RESID 53 (L): N 123.400 123.400 121.936 1.464 RESID 53 (L): C 178.700 178.700 178.176 0.524 RESID 53 (L): CA 57.460 57.460 58.201 -0.741 RESID 53 (L): CB 42.610 42.610 41.760 0.850 RESID 53 (L): H 8.092 8.092 8.582 -0.490 RESID 54 (T): N 117.500 117.500 115.736 1.764 RESID 54 (T): C 174.900 174.900 176.633 -1.733 RESID 54 (T): CA 67.070 67.070 67.739 -0.669 RESID 54 (T): H 8.039 8.039 8.138 -0.099 RESID 55 (G): N 105.500 105.500 109.195 -3.695 RESID 55 (G): C 175.600 175.600 175.788 -0.188 RESID 55 (G): CA 47.260 47.260 46.957 0.303 RESID 55 (G): H 6.591 6.591 7.871 -1.280 RESID 56 (S): N 117.000 117.000 117.775 -0.775 RESID 56 (S): C 175.600 175.600 176.762 -1.162 RESID 56 (S): CA 63.400 63.400 61.485 1.915 RESID 56 (S): CB 65.060 65.060 63.094 1.966 RESID 56 (S): H 6.709 6.709 7.941 -1.232 RESID 58 (L): C 181.200 181.200 179.419 1.781 RESID 58 (L): CA 57.480 57.480 57.752 -0.272 RESID 58 (L): CB 40.810 40.810 40.954 -0.144 RESID 59 (A): N 122.100 122.100 122.925 -0.825 RESID 59 (A): C 178.500 178.500 178.757 -0.257 RESID 59 (A): CA 55.540 55.540 54.812 0.728 RESID 59 (A): CB 18.440 18.440 18.756 -0.316 RESID 59 (A): H 7.797 7.797 8.116 -0.319 RESID 60 (I): C 172.700 172.700 174.249 -1.549 RESID 60 (I): CA 60.390 60.390 60.219 0.171 RESID 60 (I): CB 37.930 37.930 37.533 0.397 RESID 61 (D): N 116.200 116.200 118.685 -2.485 RESID 61 (D): C 174.800 174.800 174.563 0.237 RESID 61 (D): CA 55.850 55.850 55.798 0.052 RESID 61 (D): CB 38.930 38.930 38.959 -0.029 RESID 61 (D): H 7.736 7.736 7.747 -0.011 RESID 62 (A): N 118.900 118.900 122.081 -3.181 RESID 62 (A): C 176.800 176.800 174.101 2.699 RESID 62 (A): CA 50.040 50.040 50.883 -0.843 RESID 62 (A): CB 17.940 17.940 19.598 -1.657 RESID 62 (A): H 7.820 7.820 7.723 0.097 RESID 63 (P): C 173.600 173.600 175.707 -2.107 RESID 63 (P): CA 63.250 63.250 62.606 0.644 RESID 63 (P): CB 27.640 27.640 32.349 -4.708 RESID 64 (V): N 123.100 123.100 119.279 3.821 RESID 64 (V): C 174.800 174.800 175.710 -0.910 RESID 64 (V): CA 58.420 58.420 59.864 -1.444 RESID 64 (V): CB 33.300 33.300 34.082 -0.782 RESID 64 (V): H 8.299 8.299 7.865 0.434 RESID 65 (I): N 122.000 122.000 126.361 -4.361 RESID 65 (I): C 177.100 177.100 175.561 1.539 RESID 65 (I): CA 61.010 61.010 64.042 -3.032 RESID 65 (I): CB 39.480 39.480 38.213 1.267 RESID 65 (I): H 8.589 8.589 8.353 0.236 RESID 66 (A): N 120.700 120.700 116.434 4.266 RESID 66 (A): C 175.100 175.100 175.214 -0.114 RESID 66 (A): CA 51.300 51.300 50.635 0.665 RESID 66 (A): CB 22.980 22.980 21.520 1.460 RESID 66 (A): H 7.246 7.246 7.671 -0.425 RESID 67 (S): N 111.700 111.700 116.797 -5.097 RESID 67 (S): C 176.500 176.500 174.227 2.273 RESID 67 (S): CA 55.230 55.230 57.306 -2.076 RESID 67 (S): CB 65.300 65.300 67.723 -2.423 RESID 67 (S): H 8.561 8.561 8.326 0.235 RESID 68 (G): N 112.900 112.900 107.259 5.641 RESID 68 (G): C 171.000 171.000 172.612 -1.612 RESID 68 (G): CA 46.580 46.580 44.519 2.061 RESID 68 (G): H 7.604 7.604 8.651 -1.047 RESID 69 (A): N 122.300 122.300 126.131 -3.831 RESID 69 (A): C 177.900 177.900 175.165 2.735 RESID 69 (A): CA 51.280 51.280 52.522 -1.242 RESID 69 (A): CB 23.440 23.440 21.368 2.072 RESID 69 (A): H 7.402 7.402 8.162 -0.760 RESID 70 (T): N 119.600 119.600 113.701 5.899 RESID 70 (T): C 171.400 171.400 173.711 -2.311 RESID 70 (T): CA 58.150 58.150 60.855 -2.705 RESID 70 (T): CB 70.880 70.880 69.826 1.054 RESID 70 (T): H 9.171 9.171 8.195 0.976 RESID 71 (T): N 116.500 116.500 121.648 -5.148 RESID 71 (T): C 172.500 172.500 172.930 -0.430 RESID 71 (T): CA 61.680 61.680 61.543 0.137 RESID 71 (T): CB 70.490 70.490 68.948 1.542 RESID 71 (T): H 7.663 7.663 8.448 -0.785 RESID 72 (P): C 177.100 177.100 176.134 0.966 RESID 72 (P): CA 63.390 63.390 63.562 -0.172 RESID 72 (P): CB 32.940 32.940 32.233 0.707 RESID 73 (N): N 115.200 115.200 119.675 -4.475 RESID 73 (N): C 174.600 174.600 176.212 -1.612 RESID 73 (N): CA 54.570 54.570 53.842 0.728 RESID 73 (N): CB 37.020 37.020 38.467 -1.447 RESID 73 (N): H 7.990 7.990 8.697 -0.707 RESID 74 (N): C 175.800 175.800 176.967 -1.167 RESID 74 (N): CA 60.660 60.660 55.634 5.026 RESID 74 (N): CB 38.070 38.070 37.724 0.346 RESID 75 (R): N 114.600 114.600 120.964 -6.364 RESID 75 (R): C 177.400 177.400 177.566 -0.166 RESID 75 (R): CA 59.940 59.940 58.867 1.073 RESID 75 (R): CB 31.110 31.110 30.056 1.054 RESID 75 (R): H 8.049 8.049 8.335 -0.286 RESID 76 (V): N 107.100 107.100 117.369 -10.269 RESID 76 (V): C 176.000 176.000 175.945 0.055 RESID 76 (V): CA 61.110 61.110 64.063 -2.953 RESID 76 (V): CB 33.590 33.590 31.549 2.041 RESID 76 (V): H 7.356 7.356 8.186 -0.830 RESID 77 (A): N 126.900 126.900 120.988 5.912 RESID 77 (A): C 176.500 176.500 177.576 -1.076 RESID 77 (A): CA 51.390 51.390 52.420 -1.030 RESID 77 (A): CB 24.260 24.260 19.144 5.116 RESID 77 (A): H 7.873 7.873 7.155 0.718 RESID 78 (D): N 118.700 118.700 116.919 1.781 RESID 78 (D): C 178.100 178.100 175.892 2.208 RESID 78 (D): CA 51.970 51.970 52.910 -0.940 RESID 78 (D): CB 41.360 41.360 40.996 0.364 RESID 78 (D): H 8.607 8.607 8.176 0.431 RESID 79 (D): N 116.600 116.600 115.741 0.859 RESID 79 (D): C 176.400 176.400 176.118 0.282 RESID 79 (D): CA 56.030 56.030 54.960 1.070 RESID 79 (D): CB 40.100 40.100 39.221 0.879 RESID 79 (D): H 8.258 8.258 8.422 -0.164 RESID 80 (Q): N 117.200 117.200 121.513 -4.313 RESID 80 (Q): C 175.700 175.700 176.881 -1.181 RESID 80 (Q): CA 54.970 54.970 56.495 -1.525 RESID 80 (Q): CB 30.840 30.840 28.443 2.397 RESID 80 (Q): H 8.160 8.160 8.344 -0.184 RESID 81 (G): N 105.300 105.300 105.295 0.005 RESID 81 (G): C 174.200 174.200 173.345 0.855 RESID 81 (G): CA 45.740 45.740 44.784 0.956 RESID 81 (G): H 7.419 7.419 8.064 -0.645 RESID 82 (F): N 121.700 121.700 121.105 0.595 RESID 82 (F): C 175.300 175.300 175.742 -0.442 RESID 82 (F): CA 52.530 52.530 56.778 -4.247 RESID 82 (F): CB 37.430 37.430 40.043 -2.613 RESID 82 (F): H 8.154 8.154 7.853 0.301 RESID 83 (L): C 178.400 178.400 177.449 0.951 RESID 83 (L): CA 55.550 55.550 55.224 0.326 RESID 83 (L): CB 38.480 38.480 41.966 -3.486 RESID 84 (R): N 119.000 119.000 118.666 0.334 RESID 84 (R): C 178.300 178.300 177.524 0.776 RESID 84 (R): CA 60.690 60.690 57.192 3.498 RESID 84 (R): CB 31.530 31.530 29.869 1.661 RESID 84 (R): H 7.746 7.746 8.436 -0.690 RESID 85 (Q): N 116.400 116.400 119.005 -2.605 RESID 85 (Q): C 174.700 174.700 177.364 -2.664 RESID 85 (Q): CA 58.200 58.200 57.998 0.202 RESID 85 (Q): CB 26.140 26.140 29.333 -3.193 RESID 85 (Q): H 9.838 9.838 7.966 1.872 RESID 86 (W): N 115.600 115.600 122.089 -6.489 RESID 86 (W): C 175.900 175.900 177.677 -1.777 RESID 86 (W): CA 55.320 55.320 60.390 -5.070 RESID 86 (W): CB 27.470 27.470 29.550 -2.080 RESID 86 (W): H 6.600 6.600 8.557 -1.957 RESID 87 (S): N 118.500 118.500 114.770 3.730 RESID 87 (S): C 177.300 177.300 175.819 1.481 RESID 87 (S): CA 62.340 62.340 61.810 0.530 RESID 87 (S): H 7.067 7.067 8.326 -1.259 RESID 88 (K): N 118.300 118.300 122.244 -3.944 RESID 88 (K): C 179.000 179.000 178.822 0.178 RESID 88 (K): CA 59.970 59.970 59.502 0.468 RESID 88 (K): CB 32.380 32.380 32.469 -0.090 RESID 88 (K): H 8.615 8.615 7.639 0.976 RESID 89 (V): N 120.600 120.600 114.189 6.411 RESID 89 (V): C 178.100 178.100 177.280 0.820 RESID 89 (V): CA 65.530 65.530 65.433 0.097 RESID 89 (V): CB 32.180 32.180 31.684 0.496 RESID 89 (V): H 7.089 7.089 7.787 -0.698 RESID 90 (A): N 120.700 120.700 121.085 -0.385 RESID 90 (A): C 180.000 180.000 178.896 1.104 RESID 90 (A): CA 55.490 55.490 54.093 1.397 RESID 90 (A): CB 19.130 19.130 17.710 1.420 RESID 90 (A): H 7.979 7.979 7.289 0.690 RESID 91 (K): N 117.600 117.600 118.023 -0.423 RESID 91 (K): C 180.900 180.900 177.861 3.039 RESID 91 (K): CA 59.830 59.830 58.820 1.010 RESID 91 (K): CB 32.700 32.700 32.705 -0.005 RESID 91 (K): H 7.844 7.844 8.095 -0.251 RESID 92 (E): N 122.300 122.300 117.237 5.063 RESID 92 (E): C 178.600 178.600 177.102 1.498 RESID 92 (E): CA 59.590 59.590 57.309 2.281 RESID 92 (E): CB 29.740 29.740 30.400 -0.660 RESID 92 (E): H 8.178 8.178 7.693 0.485 RESID 93 (R): N 115.300 115.300 118.432 -3.132 RESID 93 (R): C 175.000 175.000 174.681 0.319 RESID 93 (R): CA 56.320 56.320 55.528 0.792 RESID 93 (R): CB 29.390 29.390 30.925 -1.535 RESID 93 (R): H 7.776 7.776 8.049 -0.273 RESID 94 (K): N 116.800 116.800 115.022 1.778 RESID 94 (K): C 176.400 176.400 175.734 0.666 RESID 94 (K): CA 56.950 56.950 57.618 -0.668 RESID 94 (K): CB 28.870 28.870 30.308 -1.438 RESID 94 (K): H 7.697 7.697 8.414 -0.717 RESID 95 (L): N 120.600 120.600 121.714 -1.114 RESID 95 (L): C 177.200 177.200 176.925 0.275 RESID 95 (L): CA 56.710 56.710 55.968 0.742 RESID 95 (L): CB 43.480 43.480 42.456 1.024 RESID 95 (L): H 7.708 7.708 7.651 0.057 RESID 96 (Q): N 124.900 124.900 124.504 0.396 RESID 96 (Q): C 175.000 175.000 175.967 -0.967 RESID 96 (Q): CA 55.570 55.570 54.964 0.606 RESID 96 (Q): CB 30.080 30.080 29.745 0.335 RESID 96 (Q): H 7.526 7.526 8.406 -0.880 RESID 97 (R): N 126.000 126.000 119.556 6.444 RESID 97 (R): C 176.800 176.800 176.217 0.583 RESID 97 (R): CA 55.610 55.610 56.633 -1.023 RESID 97 (R): CB 31.840 31.840 30.211 1.629 RESID 97 (R): H 9.039 9.039 8.542 0.497 RESID 98 (L): N 126.500 126.500 123.036 3.464 RESID 98 (L): C 175.400 175.400 175.810 -0.410 RESID 98 (L): CA 56.610 56.610 54.191 2.419 RESID 98 (L): CB 47.140 47.140 43.798 3.342 RESID 98 (L): H 8.247 8.247 8.687 -0.440 RESID 99 (Y): N 110.000 110.000 111.963 -1.963 RESID 99 (Y): C 173.200 173.200 174.592 -1.392 RESID 99 (Y): CA 55.320 55.320 56.166 -0.846 RESID 99 (Y): CB 38.350 38.350 39.331 -0.982 RESID 99 (Y): H 6.465 6.465 7.815 -1.350 RESID 100 (I): N 120.000 120.000 126.169 -6.169 RESID 100 (I): C 176.800 176.800 177.154 -0.354 RESID 100 (I): CA 61.290 61.290 63.120 -1.830 RESID 100 (I): CB 39.980 39.980 36.416 3.564 RESID 100 (I): H 8.725 8.725 8.626 0.099 RESID 101 (G): N 114.800 114.800 113.899 0.901 RESID 101 (G): C 173.400 173.400 174.104 -0.704 RESID 101 (G): CA 47.030 47.030 44.827 2.203 RESID 101 (G): H 8.224 8.224 8.473 -0.249 RESID 102 (E): N 129.600 129.600 118.678 10.922 RESID 102 (E): C 173.700 173.700 174.469 -0.769 RESID 102 (E): CA 54.480 54.480 53.998 0.482 RESID 102 (E): CB 29.790 29.790 27.753 2.037 RESID 102 (E): H 8.294 8.294 8.004 0.290 RESID 103 (P): C 175.400 175.400 176.231 -0.831 RESID 103 (P): CA 62.040 62.040 63.413 -1.373 RESID 103 (P): CB 32.570 32.570 32.658 -0.088 RESID 104 (S): N 111.900 111.900 117.123 -5.223 RESID 104 (S): C 174.800 174.800 174.628 0.172 RESID 104 (S): CA 55.340 55.340 58.493 -3.153 RESID 104 (S): CB 64.330 64.330 64.381 -0.051 RESID 104 (S): H 5.412 5.412 7.973 -2.561 RESID 105 (A): N 130.200 130.200 129.956 0.244 RESID 105 (A): C 179.400 179.400 179.052 0.348 RESID 105 (A): CA 55.070 55.070 54.299 0.771 RESID 105 (A): CB 18.210 18.210 19.120 -0.911 RESID 105 (A): H 9.211 9.211 8.875 0.336 RESID 106 (E): N 119.800 119.800 119.459 0.341 RESID 106 (E): C 179.300 179.300 178.858 0.442 RESID 106 (E): CA 60.270 60.270 59.031 1.239 RESID 106 (E): CB 28.990 28.990 29.465 -0.475 RESID 106 (E): H 8.731 8.731 8.583 0.148 RESID 107 (A): N 121.600 121.600 122.407 -0.807 RESID 107 (A): C 180.100 180.100 179.779 0.321 RESID 107 (A): CA 54.650 54.650 55.092 -0.442 RESID 107 (A): CB 19.220 19.220 18.378 0.842 RESID 107 (A): H 7.682 7.682 7.864 -0.182 RESID 108 (V): N 116.600 116.600 118.242 -1.642 RESID 108 (V): C 177.700 177.700 178.630 -0.930 RESID 108 (V): CA 66.920 66.920 65.770 1.150 RESID 108 (V): CB 31.430 31.430 31.102 0.328 RESID 108 (V): H 7.015 7.015 7.539 -0.524 RESID 109 (A): N 121.400 121.400 123.382 -1.982 RESID 109 (A): C 181.100 181.100 179.302 1.798 RESID 109 (A): CA 55.540 55.540 55.012 0.528 RESID 109 (A): CB 17.900 17.900 18.103 -0.203 RESID 109 (A): H 8.262 8.262 8.191 0.071 RESID 110 (A): N 118.800 118.800 119.541 -0.741 RESID 110 (A): C 178.900 178.900 178.633 0.267 RESID 110 (A): CA 54.300 54.300 54.543 -0.243 RESID 110 (A): CB 18.460 18.460 18.489 -0.029 RESID 110 (A): H 7.607 7.607 7.936 -0.329 RESID 111 (Q): N 113.500 113.500 114.582 -1.082 RESID 111 (Q): C 174.900 174.900 175.949 -1.049 RESID 111 (Q): CA 55.160 55.160 54.227 0.933 RESID 111 (Q): CB 28.450 28.450 28.601 -0.151 RESID 111 (Q): H 7.148 7.148 7.433 -0.285 RESID 112 (M): N 114.700 114.700 120.899 -6.199 RESID 112 (M): C 173.300 173.300 173.238 0.062 RESID 112 (M): CA 55.900 55.900 55.568 0.332 RESID 112 (M): CB 30.300 30.300 31.758 -1.458 RESID 112 (M): H 7.882 7.882 7.949 -0.067 RESID 113 (P): C 176.700 176.700 176.232 0.468 RESID 113 (P): CA 62.820 62.820 62.562 0.258 RESID 113 (P): CB 33.340 33.340 32.964 0.376 RESID 114 (D): N 115.800 115.800 117.985 -2.185 RESID 114 (D): C 175.900 175.900 175.975 -0.075 RESID 114 (D): CA 53.150 53.150 55.249 -2.099 RESID 114 (D): CB 40.990 40.990 42.822 -1.832 RESID 114 (D): H 8.850 8.850 8.233 0.617 RESID 115 (L): C 174.900 174.900 174.282 0.618 RESID 115 (L): CA 52.800 52.800 54.200 -1.400 RESID 116 (I): N 123.500 123.500 126.346 -2.846 RESID 116 (I): CA 60.270 60.270 60.376 -0.106 RESID 116 (I): H 9.340 9.340 8.009 1.331 RESID 118 (I): C 174.400 174.400 175.376 -0.976 RESID 118 (I): CA 60.250 60.250 59.813 0.437 RESID 118 (I): CB 42.610 42.610 41.620 0.990 RESID 119 (S): N 121.600 121.600 121.224 0.376 RESID 119 (S): C 175.700 175.700 175.120 0.580 RESID 119 (S): CA 57.150 57.150 57.743 -0.593 RESID 119 (S): CB 65.280 65.280 64.602 0.678 RESID 119 (S): H 9.575 9.575 8.536 1.039 RESID 120 (A): N 126.000 126.000 124.399 1.601 RESID 120 (A): C 176.900 176.900 177.375 -0.475 RESID 120 (A): CA 54.300 54.300 54.347 -0.047 RESID 120 (A): CB 20.530 20.530 18.993 1.537 RESID 120 (A): H 8.143 8.143 8.664 -0.521 RESID 121 (T): N 106.400 106.400 110.506 -4.106 RESID 121 (T): C 173.000 173.000 173.097 -0.097 RESID 121 (T): CA 59.450 59.450 61.919 -2.469 RESID 121 (T): CB 72.310 72.310 70.716 1.594 RESID 121 (T): H 7.617 7.617 7.826 -0.209 RESID 122 (G): N 104.200 104.200 110.658 -6.458 RESID 122 (G): C 177.200 177.200 174.131 3.069 RESID 122 (G): CA 44.430 44.430 45.203 -0.773 RESID 122 (G): H 7.998 7.998 7.835 0.163 RESID 123 (G): C 174.100 174.100 174.311 -0.211 RESID 123 (G): CA 46.710 46.710 45.673 1.037 RESID 124 (D): N 116.900 116.900 119.302 -2.402 RESID 124 (D): C 176.900 176.900 175.926 0.974 RESID 124 (D): CA 52.320 52.320 52.888 -0.568 RESID 124 (D): CB 40.690 40.690 40.637 0.053 RESID 124 (D): H 8.617 8.617 7.790 0.827 RESID 125 (S): N 115.100 115.100 119.204 -4.104 RESID 125 (S): C 176.900 176.900 175.238 1.662 RESID 125 (S): CA 58.750 58.750 58.695 0.055 RESID 125 (S): CB 64.190 64.190 64.051 0.139 RESID 125 (S): H 7.322 7.322 8.427 -1.105 RESID 126 (A): N 134.900 134.900 130.134 4.766 RESID 126 (A): C 176.700 176.700 178.654 -1.954 RESID 126 (A): CA 51.150 51.150 53.497 -2.347 RESID 126 (A): CB 16.850 16.850 19.087 -2.237 RESID 126 (A): H 8.837 8.837 8.583 0.254 RESID 127 (L): N 121.000 121.000 121.022 -0.022 RESID 127 (L): C 178.900 178.900 178.355 0.545 RESID 127 (L): CA 58.730 58.730 57.260 1.470 RESID 127 (L): CB 42.840 42.840 41.609 1.231 RESID 127 (L): H 7.353 7.353 8.154 -0.801 RESID 128 (A): N 121.600 121.600 118.197 3.403 RESID 128 (A): C 178.900 178.900 178.167 0.733 RESID 128 (A): CA 55.010 55.010 54.193 0.817 RESID 128 (A): CB 18.200 18.200 18.689 -0.489 RESID 128 (A): H 8.918 8.918 7.628 1.290 RESID 129 (L): N 116.800 116.800 116.297 0.503 RESID 129 (L): C 177.000 177.000 177.909 -0.909 RESID 129 (L): CA 53.930 53.930 55.213 -1.283 RESID 129 (L): CB 42.710 42.710 43.073 -0.363 RESID 129 (L): H 7.776 7.776 7.417 0.359 RESID 130 (Y): N 122.000 122.000 122.877 -0.877 RESID 130 (Y): C 177.100 177.100 176.817 0.283 RESID 130 (Y): CA 64.420 64.420 62.886 1.534 RESID 130 (Y): CB 39.470 39.470 38.414 1.056 RESID 130 (Y): H 7.891 7.891 8.993 -1.102 RESID 131 (D): N 119.000 119.000 117.705 1.295 RESID 131 (D): C 178.300 178.300 178.488 -0.188 RESID 131 (D): CA 58.040 58.040 57.439 0.601 RESID 131 (D): CB 39.660 39.660 39.327 0.333 RESID 131 (D): H 9.014 9.014 8.112 0.902 RESID 132 (Q): N 118.900 118.900 120.063 -1.163 RESID 132 (Q): C 179.100 179.100 178.809 0.291 RESID 132 (Q): CA 58.930 58.930 58.795 0.135 RESID 132 (Q): CB 29.320 29.320 28.732 0.588 RESID 132 (Q): H 7.814 7.814 7.997 -0.183 RESID 133 (L): N 119.700 119.700 120.006 -0.306 RESID 133 (L): C 177.900 177.900 178.608 -0.708 RESID 133 (L): CA 57.910 57.910 57.559 0.351 RESID 133 (L): CB 40.980 40.980 41.790 -0.810 RESID 133 (L): H 8.450 8.450 8.902 -0.452 RESID 134 (S): N 111.800 111.800 115.057 -3.257 RESID 134 (S): C 175.500 175.500 176.001 -0.501 RESID 134 (S): CA 61.160 61.160 60.847 0.313 RESID 134 (S): CB 63.450 63.450 62.663 0.788 RESID 134 (S): H 8.128 8.128 8.461 -0.333 RESID 135 (T): N 111.100 111.100 116.294 -5.194 RESID 135 (T): C 175.300 175.300 176.477 -1.177 RESID 135 (T): CA 63.230 63.230 65.265 -2.035 RESID 135 (T): CB 69.670 69.670 69.014 0.656 RESID 135 (T): H 6.953 6.953 7.596 -0.643 RESID 136 (I): N 124.400 124.400 120.439 3.961 RESID 136 (I): C 175.800 175.800 175.552 0.248 RESID 136 (I): CA 63.940 63.940 64.007 -0.067 RESID 136 (I): CB 38.870 38.870 38.528 0.342 RESID 136 (I): H 7.694 7.694 7.278 0.416 RESID 137 (A): N 120.500 120.500 118.530 1.970 RESID 137 (A): C 172.300 172.300 173.919 -1.619 RESID 137 (A): CA 50.470 50.470 50.623 -0.153 RESID 137 (A): CB 19.320 19.320 19.447 -0.127 RESID 137 (A): H 7.540 7.540 8.015 -0.475 RESID 138 (P): C 174.700 174.700 176.230 -1.530 RESID 138 (P): CA 64.700 64.700 63.493 1.207 RESID 138 (P): CB 31.610 31.610 31.570 0.040 RESID 139 (T): N 122.000 122.000 120.067 1.933 RESID 139 (T): C 173.900 173.900 174.000 -0.100 RESID 139 (T): CA 61.630 61.630 63.242 -1.612 RESID 139 (T): CB 71.540 71.540 69.656 1.884 RESID 139 (T): H 7.990 7.990 8.163 -0.173 RESID 140 (L): C 174.900 174.900 174.298 0.602 RESID 140 (L): CA 52.740 52.740 53.535 -0.795 RESID 140 (L): CB 46.680 46.680 45.955 0.725 RESID 141 (I): N 123.500 123.500 125.967 -2.467 RESID 141 (I): C 175.700 175.700 174.588 1.112 RESID 141 (I): CA 60.250 60.250 61.272 -1.022 RESID 141 (I): CB 39.590 39.590 38.456 1.134 RESID 141 (I): H 9.345 9.345 7.914 1.431 RESID 142 (I): N 129.000 129.000 127.072 1.928 RESID 142 (I): C 174.400 174.400 174.208 0.192 RESID 142 (I): CA 57.930 57.930 59.868 -1.938 RESID 142 (I): CB 39.690 39.690 42.006 -2.316 RESID 142 (I): H 9.030 9.030 8.843 0.187 RESID 143 (N): N 129.100 129.100 124.017 5.083 RESID 143 (N): C 174.700 174.700 174.265 0.435 RESID 143 (N): CA 51.390 51.390 53.273 -1.883 RESID 143 (N): CB 39.720 39.720 39.631 0.089 RESID 143 (N): H 9.388 9.388 8.670 0.718 RESID 144 (Y): N 119.900 119.900 125.609 -5.709 RESID 144 (Y): C 176.500 176.500 174.749 1.751 RESID 144 (Y): CA 55.820 55.820 59.407 -3.587 RESID 144 (Y): CB 39.120 39.120 39.333 -0.213 RESID 144 (Y): H 8.491 8.491 8.255 0.236 RESID 145 (D): N 125.200 125.200 124.522 0.678 RESID 145 (D): C 176.800 176.800 175.049 1.751 RESID 145 (D): CA 55.220 55.220 55.411 -0.191 RESID 145 (D): CB 43.120 43.120 39.780 3.340 RESID 145 (D): H 8.800 8.800 8.368 0.432 RESID 146 (D): N 119.100 119.100 115.006 4.094 RESID 146 (D): C 175.200 175.200 175.277 -0.077 RESID 146 (D): CA 53.230 53.230 53.598 -0.368 RESID 146 (D): CB 40.760 40.760 42.413 -1.653 RESID 146 (D): H 7.571 7.571 8.634 -1.063 RESID 147 (K): N 114.100 114.100 119.844 -5.744 RESID 147 (K): C 175.000 175.000 175.269 -0.269 RESID 147 (K): CA 54.070 54.070 55.612 -1.542 RESID 147 (K): CB 33.340 33.340 35.119 -1.779 RESID 147 (K): H 7.018 7.018 7.569 -0.551 RESID 148 (S): N 118.300 118.300 118.782 -0.482 RESID 148 (S): C 175.700 175.700 176.083 -0.383 RESID 148 (S): CA 57.120 57.120 57.196 -0.076 RESID 148 (S): CB 64.970 64.970 64.245 0.725 RESID 148 (S): H 8.709 8.709 8.490 0.219 RESID 149 (W): N 121.700 121.700 119.971 1.729 RESID 149 (W): C 179.300 179.300 177.243 2.057 RESID 149 (W): CA 59.890 59.890 58.561 1.329 RESID 149 (W): CB 27.660 27.660 28.389 -0.729 RESID 149 (W): H 8.779 8.779 8.903 -0.124 RESID 150 (Q): N 124.600 124.600 121.513 3.087 RESID 150 (Q): C 178.100 178.100 177.661 0.439 RESID 150 (Q): CA 61.660 61.660 58.242 3.418 RESID 150 (Q): CB 26.550 26.550 27.832 -1.282 RESID 150 (Q): H 8.369 8.369 6.774 1.595 RESID 151 (S): N 117.500 117.500 116.333 1.167 RESID 151 (S): C 177.500 177.500 176.887 0.613 RESID 151 (S): CA 61.760 61.760 60.962 0.798 RESID 151 (S): CB 63.360 63.360 62.974 0.386 RESID 151 (S): H 7.769 7.769 7.670 0.099 RESID 152 (L): N 125.200 125.200 122.781 2.419 RESID 152 (L): C 178.700 178.700 178.041 0.659 RESID 152 (L): CA 58.320 58.320 57.993 0.327 RESID 152 (L): CB 41.980 41.980 41.741 0.239 RESID 152 (L): H 8.460 8.460 8.420 0.040 RESID 153 (L): N 119.200 119.200 118.602 0.598 RESID 153 (L): C 179.700 179.700 178.663 1.037 RESID 153 (L): CA 58.960 58.960 57.534 1.426 RESID 153 (L): CB 41.270 41.270 41.367 -0.097 RESID 153 (L): H 8.562 8.562 7.629 0.933 RESID 154 (T): N 116.300 116.300 112.841 3.459 RESID 154 (T): C 177.200 177.200 176.895 0.305 RESID 154 (T): CA 67.290 67.290 65.991 1.299 RESID 154 (T): CB 68.640 68.640 68.108 0.532 RESID 154 (T): H 8.004 8.004 7.860 0.144 RESID 155 (Q): N 124.500 124.500 121.032 3.468 RESID 155 (Q): C 179.200 179.200 178.039 1.161 RESID 155 (Q): CA 59.710 59.710 58.353 1.357 RESID 155 (Q): CB 28.620 28.620 28.369 0.251 RESID 155 (Q): H 8.230 8.230 7.942 0.288 RESID 156 (L): C 180.900 180.900 179.265 1.635 RESID 156 (L): CA 57.540 57.540 56.911 0.629 RESID 156 (L): CB 41.710 41.710 41.835 -0.125 RESID 157 (G): N 112.800 112.800 106.982 5.818 RESID 157 (G): C 174.500 174.500 175.047 -0.547 RESID 157 (G): CA 48.300 48.300 46.494 1.806 RESID 157 (G): H 9.216 9.216 8.016 1.200 RESID 158 (E): N 123.500 123.500 118.724 4.776 RESID 158 (E): C 177.800 177.800 177.200 0.600 RESID 158 (E): CA 59.120 59.120 57.907 1.212 RESID 158 (E): CB 29.700 29.700 29.400 0.300 RESID 158 (E): H 7.480 7.480 7.458 0.022 RESID 160 (T): C 178.300 178.300 176.007 2.293 RESID 160 (T): CA 61.930 61.930 63.070 -1.140 RESID 160 (T): CB 71.830 71.830 69.195 2.635 RESID 161 (G): N 113.600 113.600 115.111 -1.511 RESID 161 (G): C 174.600 174.600 174.380 0.220 RESID 161 (G): CA 48.130 48.130 46.698 1.432 RESID 161 (G): H 8.114 8.114 8.966 -0.852 RESID 162 (H): N 121.000 121.000 116.030 4.970 RESID 162 (H): C 174.000 174.000 176.252 -2.252 RESID 162 (H): CA 55.370 55.370 56.035 -0.665 RESID 162 (H): CB 28.280 28.280 31.338 -3.058 RESID 162 (H): H 8.506 8.506 7.753 0.753 RESID 163 (E): N 123.900 123.900 122.116 1.784 RESID 163 (E): C 180.800 180.800 178.476 2.324 RESID 163 (E): CA 61.160 61.160 59.756 1.404 RESID 163 (E): CB 28.720 28.720 29.129 -0.409 RESID 163 (E): H 10.300 10.300 8.759 1.541 RESID 164 (K): N 120.600 120.600 119.013 1.587 RESID 164 (K): C 178.700 178.700 178.721 -0.021 RESID 164 (K): CA 59.590 59.590 60.095 -0.505 RESID 164 (K): CB 32.280 32.280 32.167 0.113 RESID 164 (K): H 8.789 8.789 8.399 0.390 RESID 165 (Q): N 119.500 119.500 117.807 1.693 RESID 165 (Q): C 178.800 178.800 178.356 0.444 RESID 165 (Q): CA 60.870 60.870 58.670 2.200 RESID 165 (Q): CB 28.120 28.120 28.365 -0.245 RESID 165 (Q): H 8.058 8.058 8.324 -0.266 RESID 166 (A): N 121.100 121.100 122.429 -1.329 RESID 166 (A): C 178.000 178.000 179.429 -1.429 RESID 166 (A): CA 56.280 56.280 54.964 1.316 RESID 166 (A): CB 18.300 18.300 18.073 0.227 RESID 166 (A): H 7.873 7.873 8.104 -0.231 RESID 167 (A): N 117.900 117.900 120.944 -3.044 RESID 167 (A): C 181.500 181.500 179.619 1.881 RESID 167 (A): CA 55.100 55.100 55.266 -0.166 RESID 167 (A): CB 17.860 17.860 18.165 -0.305 RESID 167 (A): H 7.642 7.642 8.660 -1.018 RESID 168 (E): N 120.100 120.100 118.555 1.545 RESID 168 (E): C 179.600 179.600 179.132 0.468 RESID 168 (E): CA 59.610 59.610 59.608 0.002 RESID 168 (E): CB 29.790 29.790 29.336 0.454 RESID 168 (E): H 8.230 8.230 7.902 0.328 RESID 170 (I): C 177.700 177.700 177.687 0.013 RESID 170 (I): CA 66.880 66.880 65.286 1.594 RESID 170 (I): CB 39.310 39.310 37.953 1.357 RESID 171 (A): N 120.700 120.700 123.226 -2.526 RESID 171 (A): C 181.200 181.200 179.835 1.365 RESID 171 (A): CA 55.290 55.290 55.643 -0.353 RESID 171 (A): CB 18.260 18.260 18.104 0.156 RESID 171 (A): H 8.000 8.000 8.773 -0.773 RESID 172 (Q): N 120.600 120.600 118.036 2.564 RESID 172 (Q): C 179.200 179.200 178.585 0.615 RESID 172 (Q): CA 59.210 59.210 58.518 0.692 RESID 172 (Q): CB 28.340 28.340 28.597 -0.257 RESID 172 (Q): H 8.585 8.585 7.951 0.634 RESID 173 (F): N 122.500 122.500 122.556 -0.056 RESID 173 (F): C 176.400 176.400 177.402 -1.002 RESID 173 (F): CA 62.710 62.710 61.078 1.632 RESID 173 (F): CB 39.490 39.490 39.135 0.356 RESID 173 (F): H 8.457 8.457 8.744 -0.287 RESID 174 (D): N 121.000 121.000 120.160 0.840 RESID 174 (D): C 180.300 180.300 178.885 1.415 RESID 174 (D): CA 58.040 58.040 57.501 0.539 RESID 174 (D): CB 40.160 40.160 40.256 -0.096 RESID 174 (D): H 8.771 8.771 9.043 -0.272 RESID 175 (K): N 121.300 121.300 120.231 1.069 RESID 175 (K): C 179.800 179.800 178.633 1.167 RESID 175 (K): CA 59.630 59.630 59.639 -0.009 RESID 175 (K): CB 32.710 32.710 32.401 0.308 RESID 175 (K): H 8.125 8.125 8.204 -0.079 RESID 176 (Q): N 121.600 121.600 119.519 2.081 RESID 176 (Q): C 179.100 179.100 178.332 0.768 RESID 176 (Q): CA 58.460 58.460 58.943 -0.483 RESID 176 (Q): CB 27.990 27.990 28.521 -0.531 RESID 176 (Q): H 8.164 8.164 7.823 0.341 RESID 177 (L): N 125.600 125.600 119.567 6.033 RESID 177 (L): C 178.400 178.400 178.665 -0.265 RESID 177 (L): CA 59.890 59.890 57.219 2.671 RESID 177 (L): CB 41.200 41.200 41.363 -0.163 RESID 177 (L): H 8.944 8.944 7.737 1.207 RESID 178 (A): N 121.500 121.500 122.601 -1.101 RESID 178 (A): C 180.600 180.600 179.222 1.378 RESID 178 (A): CA 55.390 55.390 55.199 0.191 RESID 178 (A): CB 17.970 17.970 17.874 0.096 RESID 178 (A): H 7.690 7.690 8.245 -0.555 RESID 179 (A): N 120.200 120.200 121.012 -0.812 RESID 179 (A): C 180.600 180.600 179.883 0.717 RESID 179 (A): CA 54.860 54.860 54.519 0.341 RESID 179 (A): CB 18.190 18.190 18.596 -0.406 RESID 179 (A): H 7.706 7.706 7.653 0.053 RESID 180 (A): N 121.800 121.800 121.812 -0.012 RESID 180 (A): C 179.200 179.200 179.112 0.088 RESID 180 (A): CA 55.490 55.490 54.745 0.745 RESID 180 (A): CB 17.920 17.920 18.198 -0.278 RESID 180 (A): H 8.171 8.171 7.993 0.178 RESID 181 (K): N 118.100 118.100 117.905 0.195 RESID 181 (K): C 178.000 178.000 178.093 -0.093 RESID 181 (K): CA 59.830 59.830 59.199 0.631 RESID 181 (K): CB 33.340 33.340 32.641 0.699 RESID 181 (K): H 8.342 8.342 8.323 0.019 RESID 182 (E): N 114.400 114.400 116.517 -2.117 RESID 182 (E): C 177.300 177.300 177.422 -0.122 RESID 182 (E): CA 57.870 57.870 57.121 0.749 RESID 182 (E): CB 30.320 30.320 29.233 1.087 RESID 182 (E): H 7.153 7.153 7.705 -0.552 RESID 183 (Q): N 116.700 116.700 117.383 -0.683 RESID 183 (Q): C 177.200 177.200 176.161 1.039 RESID 183 (Q): CA 57.060 57.060 56.809 0.251 RESID 183 (Q): CB 31.550 31.550 31.156 0.394 RESID 183 (Q): H 7.458 7.458 7.643 -0.185 RESID 184 (I): N 117.800 117.800 115.880 1.920 RESID 184 (I): C 175.200 175.200 174.242 0.958 RESID 184 (I): CA 63.000 63.000 59.753 3.247 RESID 184 (I): CB 40.300 40.300 39.959 0.341 RESID 184 (I): H 7.723 7.723 7.433 0.290 RESID 185 (K): N 127.700 127.700 122.741 4.959 RESID 185 (K): C 175.600 175.600 175.325 0.275 RESID 185 (K): CA 54.550 54.550 55.047 -0.497 RESID 185 (K): CB 31.600 31.600 34.367 -2.767 RESID 185 (K): H 8.743 8.743 7.937 0.806 RESID 186 (L): N 124.700 124.700 125.389 -0.689 RESID 186 (L): C 175.700 175.700 175.830 -0.130 RESID 186 (L): CA 54.240 54.240 52.164 2.076 RESID 186 (L): CB 41.050 41.050 40.784 0.266 RESID 186 (L): H 8.051 8.051 8.565 -0.514 RESID 188 (P): C 174.800 174.800 176.245 -1.445 RESID 188 (P): CA 65.060 65.060 63.599 1.461 RESID 188 (P): CB 32.670 32.670 31.695 0.975 RESID 189 (Q): N 121.300 121.300 120.943 0.357 RESID 189 (Q): C 174.800 174.800 172.935 1.865 RESID 189 (Q): CA 52.330 52.330 54.703 -2.373 RESID 189 (Q): CB 31.350 31.350 30.474 0.876 RESID 189 (Q): H 8.061 8.061 8.219 -0.158 RESID 190 (P): C 175.500 175.500 175.592 -0.092 RESID 190 (P): CA 62.820 62.820 62.485 0.335 RESID 190 (P): CB 35.450 35.450 32.795 2.655 RESID 191 (V): N 112.600 112.600 121.732 -9.132 RESID 191 (V): C 174.300 174.300 173.967 0.333 RESID 191 (V): CA 59.740 59.740 59.506 0.234 RESID 191 (V): CB 35.030 35.030 34.710 0.320 RESID 191 (V): H 9.214 9.214 8.569 0.645 RESID 192 (T): N 120.700 120.700 113.277 7.423 RESID 192 (T): C 172.300 172.300 172.088 0.212 RESID 192 (T): CA 63.030 63.030 59.543 3.487 RESID 192 (T): CB 71.550 71.550 71.250 0.300 RESID 192 (T): H 8.462 8.462 8.313 0.149 RESID 193 (A): N 132.900 132.900 123.016 9.884 RESID 193 (A): C 175.400 175.400 175.407 -0.007 RESID 193 (A): CA 50.570 50.570 51.121 -0.551 RESID 193 (A): CB 21.140 21.140 21.442 -0.301 RESID 193 (A): H 10.170 10.170 8.559 1.611 RESID 194 (I): N 115.400 115.400 117.488 -2.088 RESID 194 (I): C 176.600 176.600 173.705 2.895 RESID 194 (I): CA 59.540 59.540 60.018 -0.478 RESID 194 (I): CB 43.930 43.930 42.109 1.821 RESID 194 (I): H 9.269 9.269 8.523 0.746 RESID 195 (V): N 118.500 118.500 122.869 -4.369 RESID 195 (V): C 176.200 176.200 174.080 2.120 RESID 195 (V): CA 63.190 63.190 61.396 1.794 RESID 195 (V): CB 34.870 34.870 34.654 0.216 RESID 195 (V): H 8.484 8.484 8.627 -0.143 RESID 196 (Y): N 132.200 132.200 129.504 2.696 RESID 196 (Y): C 174.700 174.700 174.161 0.539 RESID 196 (Y): CA 57.000 57.000 57.413 -0.413 RESID 196 (Y): CB 41.250 41.250 40.190 1.060 RESID 196 (Y): H 9.989 9.989 8.984 1.005 RESID 197 (T): N 124.900 124.900 123.416 1.484 RESID 197 (T): C 174.300 174.300 173.370 0.930 RESID 197 (T): CA 60.740 60.740 60.637 0.103 RESID 197 (T): CB 68.560 68.560 71.594 -3.034 RESID 197 (T): H 8.262 8.262 7.831 0.431 RESID 198 (A): N 130.500 130.500 130.820 -0.320 RESID 198 (A): C 180.400 180.400 179.180 1.220 RESID 198 (A): CA 55.510 55.510 54.332 1.178 RESID 198 (A): CB 18.480 18.480 18.393 0.087 RESID 198 (A): H 8.524 8.524 8.848 -0.324 RESID 199 (A): N 118.700 118.700 123.481 -4.781 RESID 199 (A): C 177.700 177.700 178.723 -1.023 RESID 199 (A): CA 54.350 54.350 54.848 -0.498 RESID 199 (A): CB 18.350 18.350 17.958 0.392 RESID 199 (A): H 8.578 8.578 8.276 0.302 RESID 200 (A): N 116.700 116.700 120.548 -3.848 RESID 200 (A): C 176.600 176.600 177.243 -0.643 RESID 200 (A): CA 51.290 51.290 52.082 -0.792 RESID 200 (A): CB 20.180 20.180 18.857 1.323 RESID 200 (A): H 6.638 6.638 8.094 -1.456 RESID 201 (H): N 116.900 116.900 116.487 0.413 RESID 201 (H): C 172.900 172.900 173.396 -0.496 RESID 201 (H): CA 56.710 56.710 56.327 0.383 RESID 201 (H): CB 27.820 27.820 28.252 -0.432 RESID 201 (H): H 7.569 7.569 7.764 -0.195 RESID 202 (S): N 110.500 110.500 114.494 -3.994 RESID 202 (S): C 171.500 171.500 171.456 0.044 RESID 202 (S): CA 56.530 56.530 57.611 -1.081 RESID 202 (S): CB 66.170 66.170 66.296 -0.127 RESID 202 (S): H 7.109 7.109 7.802 -0.693 RESID 203 (A): N 120.900 120.900 123.865 -2.965 RESID 203 (A): C 174.900 174.900 175.285 -0.385 RESID 203 (A): CA 50.890 50.890 51.431 -0.541 RESID 203 (A): CB 24.510 24.510 22.215 2.295 RESID 203 (A): H 8.618 8.618 8.304 0.314 RESID 204 (N): N 118.900 118.900 118.824 0.076 RESID 204 (N): C 173.300 173.300 173.469 -0.169 RESID 204 (N): CA 51.520 51.520 52.077 -0.557 RESID 204 (N): CB 40.080 40.080 42.163 -2.083 RESID 204 (N): H 8.333 8.333 8.219 0.114 RESID 205 (L): N 127.200 127.200 121.738 5.462 RESID 205 (L): C 175.700 175.700 175.570 0.130 RESID 205 (L): CA 54.920 54.920 54.080 0.840 RESID 205 (L): CB 44.180 44.180 42.610 1.570 RESID 205 (L): H 9.265 9.265 7.610 1.655 RESID 206 (W): N 125.300 125.300 123.616 1.684 RESID 206 (W): C 177.100 177.100 176.058 1.042 RESID 206 (W): CA 56.630 56.630 57.467 -0.837 RESID 206 (W): CB 29.690 29.690 30.895 -1.205 RESID 206 (W): H 8.560 8.560 7.924 0.636 RESID 207 (T): N 112.000 112.000 110.148 1.852 RESID 207 (T): C 176.100 176.100 173.183 2.917 RESID 207 (T): CA 60.120 60.120 59.133 0.987 RESID 207 (T): CB 68.540 68.540 70.508 -1.968 RESID 207 (T): H 8.029 8.029 8.134 -0.105 RESID 208 (P): C 176.000 176.000 176.849 -0.849 RESID 208 (P): CA 66.120 66.120 65.400 0.720 RESID 208 (P): CB 31.950 31.950 32.163 -0.213 RESID 209 (E): N 112.300 112.300 115.021 -2.721 RESID 209 (E): C 177.100 177.100 176.799 0.301 RESID 209 (E): CA 57.280 57.280 57.185 0.095 RESID 209 (E): CB 29.760 29.760 30.153 -0.393 RESID 209 (E): H 7.612 7.612 7.972 -0.360 RESID 210 (S): N 115.800 115.800 115.107 0.693 RESID 210 (S): C 173.900 173.900 175.522 -1.622 RESID 210 (S): CA 58.060 58.060 59.127 -1.067 RESID 210 (S): CB 67.320 67.320 64.484 2.836 RESID 210 (S): H 7.654 7.654 7.429 0.225 RESID 211 (A): N 125.200 125.200 127.367 -2.167 RESID 211 (A): C 180.600 180.600 179.851 0.749 RESID 211 (A): CA 55.410 55.410 55.316 0.094 RESID 211 (A): CB 18.530 18.530 18.757 -0.227 RESID 211 (A): H 8.874 8.874 9.026 -0.152 RESID 212 (Q): N 119.200 119.200 118.621 0.579 RESID 212 (Q): C 177.100 177.100 178.016 -0.916 RESID 212 (Q): CA 61.410 61.410 58.968 2.442 RESID 212 (Q): CB 27.090 27.090 27.423 -0.333 RESID 212 (Q): H 8.493 8.493 8.479 0.014 RESID 213 (G): N 107.500 107.500 107.646 -0.146 RESID 213 (G): C 175.400 175.400 176.317 -0.917 RESID 213 (G): CA 47.520 47.520 46.820 0.700 RESID 213 (G): H 8.053 8.053 8.294 -0.241 RESID 214 (Q): N 120.700 120.700 121.487 -0.787 RESID 214 (Q): C 179.000 179.000 178.390 0.610 RESID 214 (Q): CA 59.150 59.150 58.860 0.290 RESID 214 (Q): CB 29.110 29.110 28.687 0.423 RESID 214 (Q): H 8.501 8.501 8.090 0.411 RESID 215 (M): N 119.200 119.200 120.620 -1.420 RESID 215 (M): C 177.800 177.800 178.184 -0.384 RESID 215 (M): CA 59.760 59.760 59.650 0.110 RESID 215 (M): CB 32.050 32.050 32.845 -0.795 RESID 215 (M): H 7.878 7.878 8.184 -0.306 RESID 216 (L): N 115.800 115.800 118.774 -2.974 RESID 216 (L): C 179.900 179.900 179.038 0.862 RESID 216 (L): CA 58.160 58.160 57.652 0.508 RESID 216 (L): CB 40.010 40.010 41.443 -1.433 RESID 216 (L): H 7.517 7.517 7.960 -0.443 RESID 217 (E): N 121.000 121.000 119.624 1.376 RESID 217 (E): C 182.200 182.200 179.248 2.952 RESID 217 (E): CA 60.210 60.210 58.939 1.271 RESID 217 (E): CB 29.150 29.150 29.417 -0.267 RESID 217 (E): H 8.377 8.377 8.154 0.223 RESID 218 (Q): N 122.300 122.300 117.047 5.253 RESID 218 (Q): C 178.100 178.100 178.857 -0.757 RESID 218 (Q): CA 59.220 59.220 58.238 0.982 RESID 218 (Q): CB 28.850 28.850 29.130 -0.280 RESID 218 (Q): H 8.464 8.464 7.919 0.545 RESID 219 (L): N 118.400 118.400 117.695 0.705 RESID 219 (L): C 175.200 175.200 177.458 -2.258 RESID 219 (L): CA 55.880 55.880 57.225 -1.345 RESID 219 (L): CB 44.330 44.330 42.869 1.461 RESID 219 (L): H 7.433 7.433 7.759 -0.326 RESID 220 (G): N 104.600 104.600 102.671 1.929 RESID 220 (G): C 174.700 174.700 172.933 1.767 RESID 220 (G): CA 44.750 44.750 44.683 0.067 RESID 220 (G): H 7.777 7.777 8.154 -0.377 RESID 221 (F): N 119.100 119.100 118.956 0.144 RESID 221 (F): C 175.200 175.200 174.357 0.843 RESID 221 (F): CA 57.900 57.900 55.946 1.954 RESID 221 (F): CB 38.930 38.930 42.761 -3.831 RESID 221 (F): H 8.001 8.001 7.773 0.228 RESID 222 (T): N 117.600 117.600 116.024 1.576 RESID 222 (T): C 173.900 173.900 173.383 0.517 RESID 222 (T): CA 61.790 61.790 61.235 0.555 RESID 222 (T): CB 71.360 71.360 69.752 1.607 RESID 222 (T): H 8.961 8.961 8.567 0.394 RESID 223 (L): N 128.300 128.300 127.134 1.166 RESID 223 (L): C 178.300 178.300 176.642 1.658 RESID 223 (L): CA 54.760 54.760 53.406 1.354 RESID 223 (L): CB 41.600 41.600 42.745 -1.145 RESID 223 (L): H 9.269 9.269 8.200 1.069 RESID 224 (A): N 126.800 126.800 128.059 -1.259 RESID 224 (A): C 177.400 177.400 175.857 1.543 RESID 224 (A): CA 52.460 52.460 50.986 1.474 RESID 224 (A): CB 18.650 18.650 20.828 -2.179 RESID 224 (A): H 9.077 9.077 8.098 0.979 RESID 225 (K): N 123.400 123.400 121.230 2.170 RESID 225 (K): C 176.800 176.800 176.188 0.612 RESID 225 (K): CA 55.600 55.600 55.581 0.019 RESID 225 (K): CB 33.080 33.080 32.903 0.177 RESID 225 (K): H 8.601 8.601 8.365 0.236 RESID 226 (L): N 126.200 126.200 128.030 -1.830 RESID 226 (L): C 175.500 175.500 175.607 -0.107 RESID 226 (L): CA 53.420 53.420 53.931 -0.511 RESID 226 (L): CB 41.720 41.720 41.252 0.468 RESID 226 (L): H 8.634 8.634 8.521 0.113 RESID 227 (P): C 176.800 176.800 177.068 -0.268 RESID 227 (P): CA 62.860 62.860 62.901 -0.041 RESID 227 (P): CB 32.360 32.360 32.182 0.178 RESID 228 (A): N 124.900 124.900 124.814 0.086 RESID 228 (A): C 179.500 179.500 178.464 1.036 RESID 228 (A): CA 54.120 54.120 53.394 0.726 RESID 228 (A): CB 18.710 18.710 18.703 0.007 RESID 228 (A): H 8.412 8.412 8.509 -0.097 RESID 229 (G): N 107.700 107.700 107.485 0.215 RESID 229 (G): C 175.000 175.000 176.002 -1.002 RESID 229 (G): CA 46.040 46.040 45.431 0.609 RESID 229 (G): H 8.565 8.565 8.092 0.473 RESID 230 (L): N 121.100 121.100 122.348 -1.248 RESID 230 (L): C 176.900 176.900 178.341 -1.441 RESID 230 (L): CA 55.620 55.620 55.531 0.089 RESID 230 (L): CB 42.630 42.630 41.686 0.944 RESID 230 (L): H 7.454 7.454 7.885 -0.431 RESID 231 (N): N 119.400 119.400 119.843 -0.443 RESID 231 (N): C 175.300 175.300 175.905 -0.605 RESID 231 (N): CA 53.650 53.650 56.147 -2.497 RESID 231 (N): CB 38.940 38.940 37.993 0.947 RESID 231 (N): H 8.211 8.211 8.038 0.173 RESID 232 (A): N 124.500 124.500 119.597 4.903 RESID 232 (A): C 178.100 178.100 178.075 0.025 RESID 232 (A): CA 53.110 53.110 51.667 1.443 RESID 232 (A): CB 19.340 19.340 18.050 1.290 RESID 232 (A): H 8.103 8.103 7.923 0.180 RESID 233 (S): N 115.200 115.200 115.232 -0.032 RESID 233 (S): C 175.100 175.100 175.575 -0.475 RESID 233 (S): CA 59.280 59.280 60.970 -1.690 RESID 233 (S): CB 64.280 64.280 63.329 0.951 RESID 233 (S): H 8.169 8.169 8.445 -0.276 RESID 234 (Q): N 122.100 122.100 120.659 1.441 RESID 234 (Q): C 176.400 176.400 175.676 0.724 RESID 234 (Q): CA 56.240 56.240 56.056 0.184 RESID 234 (Q): CB 29.490 29.490 30.818 -1.328 RESID 234 (Q): H 8.230 8.230 7.788 0.442 RESID 235 (S): N 117.100 117.100 118.075 -0.975 RESID 235 (S): C 174.900 174.900 174.665 0.235 RESID 235 (S): CA 58.910 58.910 58.902 0.008 RESID 235 (S): CB 64.510 64.510 62.907 1.603 RESID 235 (S): H 8.229 8.229 8.440 -0.211 RESID 236 (Q): N 122.300 122.300 127.138 -4.838 RESID 236 (Q): C 176.700 176.700 175.439 1.261 RESID 236 (Q): CA 56.610 56.610 55.487 1.123 RESID 236 (Q): CB 29.280 29.280 27.643 1.637 RESID 236 (Q): H 8.372 8.372 8.871 -0.499 RESID 237 (G): N 110.400 110.400 109.013 1.387 RESID 237 (G): C 174.100 174.100 172.963 1.137 RESID 237 (G): CA 45.720 45.720 45.466 0.254 RESID 237 (G): H 8.381 8.381 7.576 0.805 RESID 238 (K): N 120.500 120.500 121.481 -0.981 RESID 238 (K): C 176.600 176.600 175.490 1.110 RESID 238 (K): CA 56.490 56.490 56.009 0.481 RESID 238 (K): CB 33.320 33.320 32.770 0.550 RESID 238 (K): H 7.968 7.968 8.360 -0.392 RESID 239 (R): N 120.900 120.900 124.985 -4.085 RESID 239 (R): CA 56.130 56.130 55.950 0.180 RESID 239 (R): CB 31.560 31.560 30.909 0.651 RESID 239 (R): H 8.159 8.159 8.501 -0.342 RESID 240 (H): C 174.800 174.800 176.527 -1.727 RESID 240 (H): CA 55.740 55.740 58.599 -2.859 RESID 240 (H): CB 29.760 29.760 30.070 -0.310 RESID 241 (D): N 119.800 119.800 119.232 0.568 RESID 241 (D): C 174.700 174.700 176.274 -1.574 RESID 241 (D): CA 55.500 55.500 56.002 -0.501 RESID 241 (D): CB 40.550 40.550 41.224 -0.674 RESID 241 (D): H 9.052 9.052 8.395 0.657 RESID 242 (I): N 115.200 115.200 114.948 0.252 RESID 242 (I): C 175.600 175.600 174.390 1.210 RESID 242 (I): CA 59.090 59.090 59.389 -0.299 RESID 242 (I): CB 43.670 43.670 40.925 2.745 RESID 242 (I): H 7.087 7.087 7.410 -0.323 RESID 243 (I): N 125.100 125.100 126.006 -0.906 RESID 243 (I): C 175.300 175.300 174.273 1.027 RESID 243 (I): CA 60.340 60.340 60.643 -0.303 RESID 243 (I): CB 41.290 41.290 38.348 2.942 RESID 243 (I): H 8.746 8.746 8.534 0.212 RESID 244 (Q): N 128.400 128.400 127.537 0.863 RESID 244 (Q): C 175.300 175.300 174.257 1.043 RESID 244 (Q): CA 56.460 56.460 54.935 1.525 RESID 244 (Q): CB 29.800 29.800 29.765 0.035 RESID 244 (Q): H 8.768 8.768 8.597 0.171 RESID 245 (L): N 125.500 125.500 123.516 1.984 RESID 245 (L): C 176.200 176.200 176.600 -0.400 RESID 245 (L): CA 53.790 53.790 53.118 0.672 RESID 245 (L): CB 45.100 45.100 44.863 0.237 RESID 245 (L): H 8.640 8.640 8.342 0.298 RESID 246 (G): N 109.700 109.700 105.050 4.650 RESID 246 (G): C 174.200 174.200 174.330 -0.130 RESID 246 (G): CA 44.590 44.590 45.032 -0.442 RESID 246 (G): H 8.424 8.424 8.444 -0.020 RESID 247 (G): N 108.500 108.500 108.658 -0.158 RESID 247 (G): C 176.800 176.800 174.979 1.821 RESID 247 (G): CA 47.500 47.500 44.358 3.142 RESID 247 (G): H 8.666 8.666 7.735 0.931 RESID 248 (E): N 123.700 123.700 121.144 2.556 RESID 248 (E): C 177.300 177.300 176.516 0.784 RESID 248 (E): CA 58.560 58.560 57.501 1.059 RESID 248 (E): CB 29.330 29.330 29.229 0.101 RESID 248 (E): H 9.265 9.265 8.809 0.456 RESID 249 (N): N 116.700 116.700 116.448 0.252 RESID 249 (N): C 175.500 175.500 175.997 -0.497 RESID 249 (N): CA 53.490 53.490 53.650 -0.160 RESID 249 (N): CB 39.390 39.390 38.748 0.642 RESID 249 (N): H 7.963 7.963 7.627 0.336 RESID 250 (L): N 121.100 121.100 119.923 1.177 RESID 250 (L): C 177.100 177.100 178.094 -0.994 RESID 250 (L): CA 58.810 58.810 57.014 1.796 RESID 250 (L): CB 42.220 42.220 41.469 0.751 RESID 250 (L): H 7.104 7.104 7.793 -0.689 RESID 251 (A): N 117.400 117.400 122.424 -5.024 RESID 251 (A): C 179.500 179.500 178.169 1.331 RESID 251 (A): CA 55.340 55.340 54.658 0.682 RESID 251 (A): CB 17.960 17.960 18.388 -0.428 RESID 251 (A): H 8.141 8.141 8.312 -0.171 RESID 252 (A): N 117.400 117.400 118.620 -1.220 RESID 252 (A): C 179.100 179.100 178.325 0.775 RESID 252 (A): CA 53.990 53.990 52.399 1.591 RESID 252 (A): CB 18.970 18.970 18.955 0.015 RESID 252 (A): H 7.375 7.375 8.409 -1.034 RESID 253 (G): N 100.600 100.600 107.903 -7.303 RESID 253 (G): C 172.700 172.700 174.800 -2.100 RESID 253 (G): CA 45.380 45.380 45.019 0.361 RESID 253 (G): H 7.589 7.589 7.559 0.030 RESID 254 (L): N 124.800 124.800 122.854 1.946 RESID 254 (L): C 175.300 175.300 177.590 -2.290 RESID 254 (L): CA 53.020 53.020 54.861 -1.841 RESID 254 (L): CB 39.090 39.090 42.098 -3.008 RESID 254 (L): H 7.202 7.202 7.792 -0.590 RESID 255 (N): N 113.800 113.800 121.537 -7.737 RESID 255 (N): C 176.600 176.600 176.249 0.351 RESID 255 (N): CA 53.420 53.420 54.016 -0.596 RESID 255 (N): CB 37.600 37.600 38.821 -1.221 RESID 255 (N): H 7.701 7.701 8.846 -1.145 RESID 256 (G): N 109.100 109.100 106.578 2.522 RESID 256 (G): C 172.200 172.200 174.567 -2.367 RESID 256 (G): CA 45.790 45.790 45.350 0.440 RESID 256 (G): H 7.856 7.856 8.558 -0.702 RESID 257 (E): N 120.100 120.100 118.263 1.837 RESID 257 (E): C 176.900 176.900 175.533 1.367 RESID 257 (E): CA 57.880 57.880 56.496 1.384 RESID 257 (E): CB 29.760 29.760 30.501 -0.741 RESID 257 (E): H 8.443 8.443 8.658 -0.215 RESID 258 (S): N 107.500 107.500 113.470 -5.970 RESID 258 (S): C 172.500 172.500 172.550 -0.050 RESID 258 (S): CA 58.010 58.010 59.019 -1.009 RESID 258 (S): CB 66.360 66.360 63.828 2.532 RESID 258 (S): H 7.176 7.176 7.948 -0.772 RESID 259 (L): N 124.900 124.900 127.669 -2.769 RESID 259 (L): C 173.900 173.900 176.436 -2.536 RESID 259 (L): CA 53.630 53.630 54.562 -0.932 RESID 259 (L): CB 46.240 46.240 42.468 3.772 RESID 259 (L): H 8.969 8.969 8.011 0.958 RESID 260 (F): N 123.700 123.700 123.094 0.606 RESID 260 (F): C 174.200 174.200 176.035 -1.835 RESID 260 (F): CA 56.460 56.460 54.972 1.488 RESID 260 (F): CB 41.560 41.560 40.426 1.134 RESID 260 (F): H 9.295 9.295 8.147 1.148 RESID 261 (L): N 123.900 123.900 120.192 3.708 RESID 261 (L): C 177.600 177.600 177.102 0.498 RESID 261 (L): CA 54.010 54.010 53.184 0.826 RESID 261 (L): CB 41.470 41.470 45.513 -4.043 RESID 261 (L): H 9.034 9.034 8.171 0.863 RESID 262 (F): N 123.800 123.800 122.283 1.517 RESID 262 (F): C 175.500 175.500 175.833 -0.333 RESID 262 (F): CA 58.850 58.850 57.013 1.837 RESID 262 (F): CB 39.930 39.930 38.500 1.430 RESID 262 (F): H 9.338 9.338 9.112 0.226 RESID 263 (A): N 121.900 121.900 124.127 -2.227 RESID 263 (A): C 175.300 175.300 177.026 -1.726 RESID 263 (A): CA 53.630 53.630 52.649 0.981 RESID 263 (A): CB 19.700 19.700 16.808 2.892 RESID 263 (A): H 8.902 8.902 8.301 0.601 RESID 264 (G): N 104.500 104.500 111.552 -7.052 RESID 264 (G): C 171.100 171.100 172.734 -1.634 RESID 264 (G): CA 45.540 45.540 45.059 0.481 RESID 264 (G): H 6.746 6.746 7.876 -1.130 RESID 265 (D): N 122.300 122.300 122.685 -0.385 RESID 265 (D): C 177.300 177.300 177.268 0.032 RESID 265 (D): CA 51.660 51.660 52.787 -1.127 RESID 265 (D): CB 42.840 42.840 42.254 0.586 RESID 265 (D): H 9.052 9.052 8.118 0.934 RESID 266 (Q): N 118.400 118.400 119.602 -1.202 RESID 266 (Q): C 177.600 177.600 177.457 0.143 RESID 266 (Q): CA 58.620 58.620 59.057 -0.437 RESID 266 (Q): CB 28.490 28.490 28.646 -0.156 RESID 266 (Q): H 8.277 8.277 8.606 -0.329 RESID 267 (K): N 117.700 117.700 118.794 -1.094 RESID 267 (K): C 180.400 180.400 178.089 2.311 RESID 267 (K): CA 59.390 59.390 59.550 -0.161 RESID 267 (K): CB 31.440 31.440 31.788 -0.348 RESID 267 (K): H 7.879 7.879 7.920 -0.041 RESID 268 (D): N 121.600 121.600 119.659 1.941 RESID 268 (D): C 177.400 177.400 178.339 -0.939 RESID 268 (D): CA 57.980 57.980 56.978 1.002 RESID 268 (D): CB 41.550 41.550 40.251 1.299 RESID 268 (D): H 7.640 7.640 8.118 -0.478 RESID 269 (A): N 121.700 121.700 121.457 0.243 RESID 269 (A): C 179.000 179.000 178.420 0.580 RESID 269 (A): CA 55.640 55.640 54.919 0.721 RESID 269 (A): CB 17.490 17.490 18.192 -0.702 RESID 269 (A): H 7.370 7.370 7.620 -0.250 RESID 270 (D): N 118.200 118.200 117.998 0.202 RESID 270 (D): C 179.300 179.300 176.503 2.797 RESID 270 (D): CA 57.570 57.570 56.298 1.272 RESID 270 (D): CB 39.860 39.860 40.245 -0.385 RESID 270 (D): H 8.735 8.735 7.957 0.778 RESID 271 (A): N 122.900 122.900 119.898 3.002 RESID 271 (A): C 180.800 180.800 179.314 1.486 RESID 271 (A): CA 55.040 55.040 53.558 1.482 RESID 271 (A): CB 18.300 18.300 19.321 -1.021 RESID 271 (A): H 7.579 7.579 7.026 0.553 RESID 272 (I): N 0.000 0.000 120.442 -120.442 RESID 272 (I): C 178.300 178.300 176.946 1.354 RESID 272 (I): CA 63.880 63.880 64.647 -0.767 RESID 272 (I): CB 35.710 35.710 38.127 -2.417 RESID 272 (I): H 7.340 7.340 8.403 -1.063 RESID 273 (Y): N 116.300 116.300 116.983 -0.683 RESID 273 (Y): C 177.000 177.000 176.756 0.244 RESID 273 (Y): CA 61.100 61.100 58.296 2.804 RESID 273 (Y): CB 37.770 37.770 35.837 1.933 RESID 273 (Y): H 7.509 7.509 7.291 0.218 RESID 274 (A): N 118.600 118.600 121.843 -3.243 RESID 274 (A): C 177.200 177.200 177.193 0.007 RESID 274 (A): CA 52.030 52.030 52.999 -0.969 RESID 274 (A): CB 19.580 19.580 19.424 0.156 RESID 274 (A): H 7.495 7.495 7.833 -0.338 RESID 275 (N): N 119.900 119.900 118.247 1.653 RESID 275 (N): C 175.700 175.700 174.009 1.691 RESID 275 (N): CA 51.030 51.030 51.354 -0.324 RESID 275 (N): CB 38.590 38.590 37.041 1.549 RESID 275 (N): H 7.200 7.200 7.953 -0.753 RESID 276 (P): C 178.900 178.900 178.500 0.400 RESID 276 (P): CA 65.190 65.190 65.463 -0.273 RESID 276 (P): CB 32.440 32.440 32.042 0.398 RESID 277 (L): N 116.700 116.700 117.425 -0.725 RESID 277 (L): C 178.000 178.000 178.902 -0.902 RESID 277 (L): CA 56.630 56.630 57.556 -0.926 RESID 277 (L): CB 41.720 41.720 41.505 0.215 RESID 277 (L): H 7.777 7.777 7.938 -0.161 RESID 278 (L): N 115.100 115.100 116.580 -1.480 RESID 278 (L): C 176.600 176.600 177.876 -1.276 RESID 278 (L): CA 53.200 53.200 54.947 -1.747 RESID 278 (L): CB 40.960 40.960 41.309 -0.348 RESID 278 (L): H 7.485 7.485 7.680 -0.195 RESID 279 (A): N 118.600 118.600 123.082 -4.482 RESID 279 (A): C 177.700 177.700 177.797 -0.097 RESID 279 (A): CA 55.090 55.090 54.365 0.725 RESID 279 (A): CB 19.710 19.710 18.603 1.107 RESID 279 (A): H 6.665 6.665 7.907 -1.242 RESID 280 (H): N 111.600 111.600 115.291 -3.691 RESID 280 (H): C 175.500 175.500 175.199 0.301 RESID 280 (H): CA 55.360 55.360 56.223 -0.863 RESID 280 (H): CB 29.540 29.540 28.647 0.893 RESID 280 (H): H 8.337 8.337 8.183 0.154 RESID 281 (L): N 124.100 124.100 122.534 1.566 RESID 281 (L): C 176.300 176.300 175.877 0.423 RESID 281 (L): CA 53.330 53.330 52.956 0.374 RESID 281 (L): CB 40.490 40.490 41.924 -1.434 RESID 281 (L): H 7.289 7.289 7.445 -0.156 RESID 282 (P): C 178.200 178.200 178.394 -0.194 RESID 282 (P): CA 66.050 66.050 65.711 0.339 RESID 282 (P): CB 32.150 32.150 31.710 0.440 RESID 283 (A): N 116.000 116.000 119.202 -3.202 RESID 283 (A): C 179.000 179.000 179.854 -0.854 RESID 283 (A): CA 55.630 55.630 55.203 0.427 RESID 283 (A): CB 19.490 19.490 18.179 1.311 RESID 283 (A): H 7.969 7.969 8.428 -0.459 RESID 284 (V): N 115.200 115.200 118.462 -3.262 RESID 284 (V): C 180.000 180.000 178.932 1.068 RESID 284 (V): CA 65.640 65.640 65.880 -0.241 RESID 284 (V): CB 32.560 32.560 30.815 1.745 RESID 284 (V): H 6.557 6.557 7.680 -1.123 RESID 285 (Q): N 121.200 121.200 120.434 0.766 RESID 285 (Q): C 178.000 178.000 177.661 0.339 RESID 285 (Q): CA 59.500 59.500 58.793 0.707 RESID 285 (Q): CB 29.080 29.080 28.610 0.469 RESID 285 (Q): H 8.581 8.581 7.808 0.773 RESID 286 (N): N 112.600 112.600 114.001 -1.401 RESID 286 (N): C 174.500 174.500 173.863 0.637 RESID 286 (N): CA 53.160 53.160 52.733 0.427 RESID 286 (N): CB 38.390 38.390 38.733 -0.343 RESID 286 (N): H 8.117 8.117 8.063 0.054 RESID 287 (K): N 118.500 118.500 115.889 2.611 RESID 287 (K): C 176.100 176.100 176.222 -0.122 RESID 287 (K): CA 57.540 57.540 57.302 0.238 RESID 287 (K): CB 28.570 28.570 29.549 -0.979 RESID 287 (K): H 7.724 7.724 7.685 0.039 RESID 288 (Q): N 119.700 119.700 117.154 2.546 RESID 288 (Q): C 173.700 173.700 174.077 -0.377 RESID 288 (Q): CA 52.970 52.970 54.824 -1.854 RESID 288 (Q): CB 28.640 28.640 28.924 -0.284 RESID 288 (Q): H 8.895 8.895 8.427 0.468 RESID 289 (V): N 119.200 119.200 118.568 0.632 RESID 289 (V): C 175.100 175.100 175.025 0.075 RESID 289 (V): CA 61.600 61.600 61.055 0.545 RESID 289 (V): CB 32.610 32.610 33.843 -1.234 RESID 289 (V): H 6.246 6.246 6.904 -0.658 RESID 290 (Y): N 125.700 125.700 124.027 1.673 RESID 290 (Y): C 174.100 174.100 174.471 -0.371 RESID 290 (Y): CA 56.830 56.830 56.394 0.436 RESID 290 (Y): CB 40.950 40.950 42.784 -1.834 RESID 290 (Y): H 8.682 8.682 8.991 -0.309 RESID 291 (A): N 126.900 126.900 122.024 4.876 RESID 291 (A): C 178.300 178.300 176.744 1.556 RESID 291 (A): CA 51.560 51.560 50.395 1.165 RESID 291 (A): CB 19.670 19.670 21.235 -1.565 RESID 291 (A): H 9.057 9.057 8.650 0.407 RESID 292 (L): N 120.800 120.800 119.820 0.980 RESID 292 (L): C 175.500 175.500 176.233 -0.733 RESID 292 (L): CA 54.880 54.880 54.254 0.626 RESID 292 (L): CB 42.490 42.490 42.278 0.212 RESID 292 (L): H 8.342 8.342 8.927 -0.585 RESID 293 (G): N 107.500 107.500 103.810 3.690 RESID 293 (G): C 177.600 177.600 174.111 3.489 RESID 293 (G): CA 45.110 45.110 44.434 0.676 RESID 293 (G): H 7.973 7.973 7.387 0.586 RESID 294 (T): N 117.800 117.800 116.741 1.059 RESID 294 (T): C 176.400 176.400 176.012 0.388 RESID 294 (T): CA 65.260 65.260 65.162 0.098 RESID 294 (T): CB 68.310 68.310 69.160 -0.850 RESID 294 (T): H 8.808 8.808 8.574 0.234 RESID 295 (E): N 122.100 122.100 119.934 2.166 RESID 295 (E): C 177.700 177.700 176.576 1.124 RESID 295 (E): CA 58.540 58.540 58.313 0.227 RESID 295 (E): CB 29.010 29.010 28.774 0.236 RESID 295 (E): H 10.380 10.380 8.841 1.539 RESID 296 (T): N 103.000 103.000 108.605 -5.605 RESID 296 (T): C 173.600 173.600 174.295 -0.695 RESID 296 (T): CA 62.320 62.320 61.207 1.113 RESID 296 (T): CB 69.170 69.170 67.753 1.417 RESID 296 (T): H 7.062 7.062 7.909 -0.847 RESID 297 (F): N 121.500 121.500 123.065 -1.565 RESID 297 (F): C 174.500 174.500 175.855 -1.355 RESID 297 (F): CA 61.700 61.700 61.051 0.649 RESID 297 (F): CB 39.640 39.640 39.783 -0.143 RESID 297 (F): H 8.108 8.108 7.802 0.306 RESID 298 (R): N 116.800 116.800 119.808 -3.008 RESID 298 (R): C 176.000 176.000 175.101 0.899 RESID 298 (R): CA 54.160 54.160 55.765 -1.605 RESID 298 (R): CB 32.460 32.460 31.085 1.375 RESID 298 (R): H 7.552 7.552 8.259 -0.707 RESID 299 (L): N 125.500 125.500 126.636 -1.136 RESID 299 (L): C 174.800 174.800 174.358 0.442 RESID 299 (L): CA 54.300 54.300 54.003 0.297 RESID 299 (L): CB 41.670 41.670 44.032 -2.361 RESID 299 (L): H 8.903 8.903 8.384 0.519 RESID 300 (D): N 124.600 124.600 122.900 1.700 RESID 300 (D): C 173.400 173.400 175.638 -2.238 RESID 300 (D): CA 51.880 51.880 53.230 -1.350 RESID 300 (D): CB 43.230 43.230 42.602 0.628 RESID 300 (D): H 7.735 7.735 8.660 -0.925 RESID 301 (Y): N 118.100 118.100 121.486 -3.386 RESID 301 (Y): C 175.300 175.300 176.198 -0.898 RESID 301 (Y): CA 61.650 61.650 63.332 -1.682 RESID 301 (Y): CB 38.740 38.740 38.694 0.046 RESID 301 (Y): H 7.943 7.943 9.004 -1.061 RESID 302 (Y): N 112.300 112.300 115.518 -3.218 RESID 302 (Y): C 180.800 180.800 177.666 3.134 RESID 302 (Y): CA 61.970 61.970 60.968 1.002 RESID 302 (Y): CB 37.990 37.990 38.002 -0.011 RESID 302 (Y): H 7.309 7.309 8.119 -0.810 RESID 303 (S): N 119.100 119.100 115.642 3.458 RESID 303 (S): C 176.300 176.300 176.501 -0.201 RESID 303 (S): CA 60.690 60.690 61.475 -0.785 RESID 303 (S): CB 63.180 63.180 62.613 0.567 RESID 303 (S): H 9.411 9.411 9.445 -0.034 RESID 304 (A): N 126.900 126.900 124.958 1.942 RESID 304 (A): C 180.400 180.400 179.364 1.036 RESID 304 (A): CA 56.000 56.000 55.293 0.707 RESID 304 (A): CB 18.040 18.040 17.821 0.219 RESID 304 (A): H 8.860 8.860 7.932 0.928 RESID 305 (M): N 116.600 116.600 118.024 -1.424 RESID 305 (M): C 179.300 179.300 178.829 0.471 RESID 305 (M): CA 57.880 57.880 59.549 -1.669 RESID 305 (M): CB 31.350 31.350 32.120 -0.770 RESID 305 (M): H 7.346 7.346 7.600 -0.254 RESID 306 (Q): N 119.300 119.300 118.727 0.573 RESID 306 (Q): C 179.000 179.000 178.847 0.153 RESID 306 (Q): CA 59.410 59.410 58.873 0.537 RESID 306 (Q): CB 28.450 28.450 28.820 -0.370 RESID 306 (Q): H 7.633 7.633 7.762 -0.129 RESID 308 (L): C 178.700 178.700 178.490 0.210 RESID 308 (L): CA 58.690 58.690 58.424 0.266 RESID 308 (L): CB 41.790 41.790 41.384 0.406 RESID 309 (D): N 119.100 119.100 119.048 0.052 RESID 309 (D): C 179.600 179.600 178.880 0.720 RESID 309 (D): CA 57.830 57.830 57.538 0.292 RESID 309 (D): CB 40.820 40.820 40.337 0.483 RESID 309 (D): H 7.984 7.984 8.027 -0.043 RESID 310 (R): N 121.700 121.700 120.625 1.075 RESID 310 (R): C 178.900 178.900 178.731 0.169 RESID 310 (R): CA 58.590 58.590 59.194 -0.604 RESID 310 (R): CB 29.820 29.820 30.150 -0.330 RESID 310 (R): H 8.463 8.463 7.604 0.859 RESID 311 (L): N 119.200 119.200 119.897 -0.697 RESID 311 (L): C 178.800 178.800 178.725 0.075 RESID 311 (L): CA 58.380 58.380 58.113 0.267 RESID 311 (L): CB 42.340 42.340 41.840 0.500 RESID 311 (L): H 8.489 8.489 8.332 0.157 RESID 312 (K): N 116.500 116.500 118.707 -2.207 RESID 312 (K): C 178.000 178.000 178.393 -0.393 RESID 312 (K): CA 59.250 59.250 59.164 0.085 RESID 312 (K): CB 32.440 32.440 32.492 -0.052 RESID 312 (K): H 7.955 7.955 8.164 -0.209 RESID 313 (A): N 119.500 119.500 120.755 -1.255 RESID 313 (A): C 180.000 180.000 178.665 1.335 RESID 313 (A): CA 53.920 53.920 53.273 0.647 RESID 313 (A): CB 18.800 18.800 19.252 -0.452 RESID 313 (A): H 7.427 7.427 7.735 -0.308 RESID 314 (L): N 119.500 119.500 119.181 0.319 RESID 314 (L): C 177.400 177.400 176.453 0.947 RESID 314 (L): CA 56.770 56.770 57.240 -0.470 RESID 314 (L): CB 43.730 43.730 42.358 1.372 RESID 314 (L): H 7.431 7.431 8.128 -0.697 N HA C CA CB H RESID 26 (W): -3.484 ----- -0.865 0.360 3.236 0.247 RESID 27 (P): ----- ----- -0.011 -0.283 4.939 ----- RESID 28 (R): -3.814 ----- -1.408 0.737 0.769 0.071 RESID 29 (Q): -0.899 ----- 0.590 -1.250 1.452 -0.082 RESID 30 (I): -1.820 ----- 0.565 -0.920 -0.455 1.088 RESID 31 (T): 3.213 ----- 0.710 -1.282 1.050 0.587 RESID 32 (D): 5.609 ----- 1.441 0.810 -0.505 1.410 RESID 33 (S): -4.389 ----- -0.569 0.456 -0.400 -0.212 RESID 34 (R): -2.402 ----- -0.629 -3.662 0.170 0.488 RESID 35 (G): 5.185 ----- -2.251 -0.500 ----- -0.757 RESID 36 (T): 0.134 ----- 0.783 0.022 -0.070 0.583 RESID 37 (H): 0.489 ----- 0.721 -1.272 -2.009 0.361 RESID 38 (T): 4.454 ----- 1.392 2.123 -1.248 1.608 RESID 39 (L): 7.253 ----- 0.095 0.518 -0.942 0.460 RESID 40 (E): -1.516 ----- -0.327 0.266 0.490 0.138 RESID 41 (S): -1.879 ----- -1.500 -0.895 0.631 -0.159 RESID 42 (Q): 3.338 ----- -0.147 -2.054 0.553 -1.263 RESID 43 (P): ----- ----- -0.319 0.762 0.103 ----- RESID 44 (Q): 2.535 ----- -0.600 -1.486 2.855 2.618 RESID 45 (R): 8.291 ----- 0.497 0.091 -0.044 2.461 RESID 47 (V): ----- ----- 0.340 -0.276 -0.138 ----- RESID 48 (S): -2.121 ----- 2.100 -1.746 -1.114 -0.605 RESID 49 (T): 5.230 ----- -2.805 0.892 -0.248 -0.094 RESID 50 (S): -0.387 ----- -0.593 -2.007 -0.090 -0.109 RESID 51 (V): 5.209 ----- -2.732 -0.427 -0.189 0.214 RESID 52 (T): 0.851 ----- 3.357 0.505 0.497 -0.189 RESID 53 (L): 1.464 ----- 0.524 -0.741 0.850 -0.490 RESID 54 (T): 1.764 ----- -1.733 -0.669 ----- -0.099 RESID 55 (G): -3.695 ----- -0.188 0.303 ----- -1.280 RESID 56 (S): -0.775 ----- -1.162 1.915 1.966 -1.232 RESID 58 (L): ----- ----- 1.781 -0.272 -0.144 ----- RESID 59 (A): -0.825 ----- -0.257 0.728 -0.316 -0.319 RESID 60 (I): ----- ----- -1.549 0.171 0.397 ----- RESID 61 (D): -2.485 ----- 0.237 0.052 -0.029 -0.011 RESID 62 (A): -3.181 ----- 2.699 -0.843 -1.657 0.097 RESID 63 (P): ----- ----- -2.107 0.644 -4.708 ----- RESID 64 (V): 3.821 ----- -0.910 -1.444 -0.782 0.434 RESID 65 (I): -4.361 ----- 1.539 -3.032 1.267 0.236 RESID 66 (A): 4.266 ----- -0.114 0.665 1.460 -0.425 RESID 67 (S): -5.097 ----- 2.273 -2.076 -2.423 0.235 RESID 68 (G): 5.641 ----- -1.612 2.061 ----- -1.047 RESID 69 (A): -3.831 ----- 2.735 -1.242 2.072 -0.760 RESID 70 (T): 5.899 ----- -2.311 -2.705 1.054 0.976 RESID 71 (T): -5.148 ----- -0.430 0.137 1.542 -0.785 RESID 72 (P): ----- ----- 0.966 -0.172 0.707 ----- RESID 73 (N): -4.475 ----- -1.612 0.728 -1.447 -0.707 RESID 74 (N): ----- ----- -1.167 5.026 0.346 ----- RESID 75 (R): -6.364 ----- -0.166 1.073 1.054 -0.286 RESID 76 (V): -10.269 ----- 0.055 -2.953 2.041 -0.830 RESID 77 (A): 5.912 ----- -1.076 -1.030 5.116 0.718 RESID 78 (D): 1.781 ----- 2.208 -0.940 0.364 0.431 RESID 79 (D): 0.859 ----- 0.282 1.070 0.879 -0.164 RESID 80 (Q): -4.313 ----- -1.181 -1.525 2.397 -0.184 RESID 81 (G): 0.005 ----- 0.855 0.956 ----- -0.645 RESID 82 (F): 0.595 ----- -0.442 -4.247 -2.613 0.301 RESID 83 (L): ----- ----- 0.951 0.326 -3.486 ----- RESID 84 (R): 0.334 ----- 0.776 3.498 1.661 -0.690 RESID 85 (Q): -2.605 ----- -2.664 0.202 -3.193 1.872 RESID 86 (W): -6.489 ----- -1.777 -5.070 -2.080 -1.957 RESID 87 (S): 3.730 ----- 1.481 0.530 ----- -1.259 RESID 88 (K): -3.944 ----- 0.178 0.468 -0.090 0.976 RESID 89 (V): 6.411 ----- 0.820 0.097 0.496 -0.698 RESID 90 (A): -0.385 ----- 1.104 1.397 1.420 0.690 RESID 91 (K): -0.423 ----- 3.039 1.010 -0.005 -0.251 RESID 92 (E): 5.063 ----- 1.498 2.281 -0.660 0.485 RESID 93 (R): -3.132 ----- 0.319 0.792 -1.535 -0.273 RESID 94 (K): 1.778 ----- 0.666 -0.668 -1.438 -0.717 RESID 95 (L): -1.114 ----- 0.275 0.742 1.024 0.057 RESID 96 (Q): 0.396 ----- -0.967 0.606 0.335 -0.880 RESID 97 (R): 6.444 ----- 0.583 -1.023 1.629 0.497 RESID 98 (L): 3.464 ----- -0.410 2.419 3.342 -0.440 RESID 99 (Y): -1.963 ----- -1.392 -0.846 -0.982 -1.350 RESID 100 (I): -6.169 ----- -0.354 -1.830 3.564 0.099 RESID 101 (G): 0.901 ----- -0.704 2.203 ----- -0.249 RESID 102 (E): 10.922 ----- -0.769 0.482 2.037 0.290 RESID 103 (P): ----- ----- -0.831 -1.373 -0.088 ----- RESID 104 (S): -5.223 ----- 0.172 -3.153 -0.051 -2.561 RESID 105 (A): 0.244 ----- 0.348 0.771 -0.911 0.336 RESID 106 (E): 0.341 ----- 0.442 1.239 -0.475 0.148 RESID 107 (A): -0.807 ----- 0.321 -0.442 0.842 -0.182 RESID 108 (V): -1.642 ----- -0.930 1.150 0.328 -0.524 RESID 109 (A): -1.982 ----- 1.798 0.528 -0.203 0.071 RESID 110 (A): -0.741 ----- 0.267 -0.243 -0.029 -0.329 RESID 111 (Q): -1.082 ----- -1.049 0.933 -0.151 -0.285 RESID 112 (M): -6.199 ----- 0.062 0.332 -1.458 -0.067 RESID 113 (P): ----- ----- 0.468 0.258 0.376 ----- RESID 114 (D): -2.185 ----- -0.075 -2.099 -1.832 0.617 RESID 115 (L): ----- ----- 0.618 -1.400 ----- ----- RESID 116 (I): -2.846 ----- ----- -0.106 ----- 1.331 RESID 118 (I): ----- ----- -0.976 0.437 0.990 ----- RESID 119 (S): 0.376 ----- 0.580 -0.593 0.678 1.039 RESID 120 (A): 1.601 ----- -0.475 -0.047 1.537 -0.521 RESID 121 (T): -4.106 ----- -0.097 -2.469 1.594 -0.209 RESID 122 (G): -6.458 ----- 3.069 -0.773 ----- 0.163 RESID 123 (G): ----- ----- -0.211 1.037 ----- ----- RESID 124 (D): -2.402 ----- 0.974 -0.568 0.053 0.827 RESID 125 (S): -4.104 ----- 1.662 0.055 0.139 -1.105 RESID 126 (A): 4.766 ----- -1.954 -2.347 -2.237 0.254 RESID 127 (L): -0.022 ----- 0.545 1.470 1.231 -0.801 RESID 128 (A): 3.403 ----- 0.733 0.817 -0.489 1.290 RESID 129 (L): 0.503 ----- -0.909 -1.283 -0.363 0.359 RESID 130 (Y): -0.877 ----- 0.283 1.534 1.056 -1.102 RESID 131 (D): 1.295 ----- -0.188 0.601 0.333 0.902 RESID 132 (Q): -1.163 ----- 0.291 0.135 0.588 -0.183 RESID 133 (L): -0.306 ----- -0.708 0.351 -0.810 -0.452 RESID 134 (S): -3.257 ----- -0.501 0.313 0.788 -0.333 RESID 135 (T): -5.194 ----- -1.177 -2.035 0.656 -0.643 RESID 136 (I): 3.961 ----- 0.248 -0.067 0.342 0.416 RESID 137 (A): 1.970 ----- -1.619 -0.153 -0.127 -0.475 RESID 138 (P): ----- ----- -1.530 1.207 0.040 ----- RESID 139 (T): 1.933 ----- -0.100 -1.612 1.884 -0.173 RESID 140 (L): ----- ----- 0.602 -0.795 0.725 ----- RESID 141 (I): -2.467 ----- 1.112 -1.022 1.134 1.431 RESID 142 (I): 1.928 ----- 0.192 -1.938 -2.316 0.187 RESID 143 (N): 5.083 ----- 0.435 -1.883 0.089 0.718 RESID 144 (Y): -5.709 ----- 1.751 -3.587 -0.213 0.236 RESID 145 (D): 0.678 ----- 1.751 -0.191 3.340 0.432 RESID 146 (D): 4.094 ----- -0.077 -0.368 -1.653 -1.063 RESID 147 (K): -5.744 ----- -0.269 -1.542 -1.779 -0.551 RESID 148 (S): -0.482 ----- -0.383 -0.076 0.725 0.219 RESID 149 (W): 1.729 ----- 2.057 1.329 -0.729 -0.124 RESID 150 (Q): 3.087 ----- 0.439 3.418 -1.282 1.595 RESID 151 (S): 1.167 ----- 0.613 0.798 0.386 0.099 RESID 152 (L): 2.419 ----- 0.659 0.327 0.239 0.040 RESID 153 (L): 0.598 ----- 1.037 1.426 -0.097 0.933 RESID 154 (T): 3.459 ----- 0.305 1.299 0.532 0.144 RESID 155 (Q): 3.468 ----- 1.161 1.357 0.251 0.288 RESID 156 (L): ----- ----- 1.635 0.629 -0.125 ----- RESID 157 (G): 5.818 ----- -0.547 1.806 ----- 1.200 RESID 158 (E): 4.776 ----- 0.600 1.212 0.300 0.022 RESID 160 (T): ----- ----- 2.293 -1.140 2.635 ----- RESID 161 (G): -1.511 ----- 0.220 1.432 ----- -0.852 RESID 162 (H): 4.970 ----- -2.252 -0.665 -3.058 0.753 RESID 163 (E): 1.784 ----- 2.324 1.404 -0.409 1.541 RESID 164 (K): 1.587 ----- -0.021 -0.505 0.113 0.390 RESID 165 (Q): 1.693 ----- 0.444 2.200 -0.245 -0.266 RESID 166 (A): -1.329 ----- -1.429 1.316 0.227 -0.231 RESID 167 (A): -3.044 ----- 1.881 -0.166 -0.305 -1.018 RESID 168 (E): 1.545 ----- 0.468 0.002 0.454 0.328 RESID 170 (I): ----- ----- 0.013 1.594 1.357 ----- RESID 171 (A): -2.526 ----- 1.365 -0.353 0.156 -0.773 RESID 172 (Q): 2.564 ----- 0.615 0.692 -0.257 0.634 RESID 173 (F): -0.056 ----- -1.002 1.632 0.356 -0.287 RESID 174 (D): 0.840 ----- 1.415 0.539 -0.096 -0.272 RESID 175 (K): 1.069 ----- 1.167 -0.009 0.308 -0.079 RESID 176 (Q): 2.081 ----- 0.768 -0.483 -0.531 0.341 RESID 177 (L): 6.033 ----- -0.265 2.671 -0.163 1.207 RESID 178 (A): -1.101 ----- 1.378 0.191 0.096 -0.555 RESID 179 (A): -0.812 ----- 0.717 0.341 -0.406 0.053 RESID 180 (A): -0.012 ----- 0.088 0.745 -0.278 0.178 RESID 181 (K): 0.195 ----- -0.093 0.631 0.699 0.019 RESID 182 (E): -2.117 ----- -0.122 0.749 1.087 -0.552 RESID 183 (Q): -0.683 ----- 1.039 0.251 0.394 -0.185 RESID 184 (I): 1.920 ----- 0.958 3.247 0.341 0.290 RESID 185 (K): 4.959 ----- 0.275 -0.497 -2.767 0.806 RESID 186 (L): -0.689 ----- -0.130 2.076 0.266 -0.514 RESID 188 (P): ----- ----- -1.445 1.461 0.975 ----- RESID 189 (Q): 0.357 ----- 1.865 -2.373 0.876 -0.158 RESID 190 (P): ----- ----- -0.092 0.335 2.655 ----- RESID 191 (V): -9.132 ----- 0.333 0.234 0.320 0.645 RESID 192 (T): 7.423 ----- 0.212 3.487 0.300 0.149 RESID 193 (A): 9.884 ----- -0.007 -0.551 -0.301 1.611 RESID 194 (I): -2.088 ----- 2.895 -0.478 1.821 0.746 RESID 195 (V): -4.369 ----- 2.120 1.794 0.216 -0.143 RESID 196 (Y): 2.696 ----- 0.539 -0.413 1.060 1.005 RESID 197 (T): 1.484 ----- 0.930 0.103 -3.034 0.431 RESID 198 (A): -0.320 ----- 1.220 1.178 0.087 -0.324 RESID 199 (A): -4.781 ----- -1.023 -0.498 0.392 0.302 RESID 200 (A): -3.848 ----- -0.643 -0.792 1.323 -1.456 RESID 201 (H): 0.413 ----- -0.496 0.383 -0.432 -0.195 RESID 202 (S): -3.994 ----- 0.044 -1.081 -0.127 -0.693 RESID 203 (A): -2.965 ----- -0.385 -0.541 2.295 0.314 RESID 204 (N): 0.076 ----- -0.169 -0.557 -2.083 0.114 RESID 205 (L): 5.462 ----- 0.130 0.840 1.570 1.655 RESID 206 (W): 1.684 ----- 1.042 -0.837 -1.205 0.636 RESID 207 (T): 1.852 ----- 2.917 0.987 -1.968 -0.105 RESID 208 (P): ----- ----- -0.849 0.720 -0.213 ----- RESID 209 (E): -2.721 ----- 0.301 0.095 -0.393 -0.360 RESID 210 (S): 0.693 ----- -1.622 -1.067 2.836 0.225 RESID 211 (A): -2.167 ----- 0.749 0.094 -0.227 -0.152 RESID 212 (Q): 0.579 ----- -0.916 2.442 -0.333 0.014 RESID 213 (G): -0.146 ----- -0.917 0.700 ----- -0.241 RESID 214 (Q): -0.787 ----- 0.610 0.290 0.423 0.411 RESID 215 (M): -1.420 ----- -0.384 0.110 -0.795 -0.306 RESID 216 (L): -2.974 ----- 0.862 0.508 -1.433 -0.443 RESID 217 (E): 1.376 ----- 2.952 1.271 -0.267 0.223 RESID 218 (Q): 5.253 ----- -0.757 0.982 -0.280 0.545 RESID 219 (L): 0.705 ----- -2.258 -1.345 1.461 -0.326 RESID 220 (G): 1.929 ----- 1.767 0.067 ----- -0.377 RESID 221 (F): 0.144 ----- 0.843 1.954 -3.831 0.228 RESID 222 (T): 1.576 ----- 0.517 0.555 1.607 0.394 RESID 223 (L): 1.166 ----- 1.658 1.354 -1.145 1.069 RESID 224 (A): -1.259 ----- 1.543 1.474 -2.179 0.979 RESID 225 (K): 2.170 ----- 0.612 0.019 0.177 0.236 RESID 226 (L): -1.830 ----- -0.107 -0.511 0.468 0.113 RESID 227 (P): ----- ----- -0.268 -0.041 0.178 ----- RESID 228 (A): 0.086 ----- 1.036 0.726 0.007 -0.097 RESID 229 (G): 0.215 ----- -1.002 0.609 ----- 0.473 RESID 230 (L): -1.248 ----- -1.441 0.089 0.944 -0.431 RESID 231 (N): -0.443 ----- -0.605 -2.497 0.947 0.173 RESID 232 (A): 4.903 ----- 0.025 1.443 1.290 0.180 RESID 233 (S): -0.032 ----- -0.475 -1.690 0.951 -0.276 RESID 234 (Q): 1.441 ----- 0.724 0.184 -1.328 0.442 RESID 235 (S): -0.975 ----- 0.235 0.008 1.603 -0.211 RESID 236 (Q): -4.838 ----- 1.261 1.123 1.637 -0.499 RESID 237 (G): 1.387 ----- 1.137 0.254 ----- 0.805 RESID 238 (K): -0.981 ----- 1.110 0.481 0.550 -0.392 RESID 239 (R): -4.085 ----- ----- 0.180 0.651 -0.342 RESID 240 (H): ----- ----- -1.727 -2.859 -0.310 ----- RESID 241 (D): 0.568 ----- -1.574 -0.501 -0.674 0.657 RESID 242 (I): 0.252 ----- 1.210 -0.299 2.745 -0.323 RESID 243 (I): -0.906 ----- 1.027 -0.303 2.942 0.212 RESID 244 (Q): 0.863 ----- 1.043 1.525 0.035 0.171 RESID 245 (L): 1.984 ----- -0.400 0.672 0.237 0.298 RESID 246 (G): 4.650 ----- -0.130 -0.442 ----- -0.020 RESID 247 (G): -0.158 ----- 1.821 3.142 ----- 0.931 RESID 248 (E): 2.556 ----- 0.784 1.059 0.101 0.456 RESID 249 (N): 0.252 ----- -0.497 -0.160 0.642 0.336 RESID 250 (L): 1.177 ----- -0.994 1.796 0.751 -0.689 RESID 251 (A): -5.024 ----- 1.331 0.682 -0.428 -0.171 RESID 252 (A): -1.220 ----- 0.775 1.591 0.015 -1.034 RESID 253 (G): -7.303 ----- -2.100 0.361 ----- 0.030 RESID 254 (L): 1.946 ----- -2.290 -1.841 -3.008 -0.590 RESID 255 (N): -7.737 ----- 0.351 -0.596 -1.221 -1.145 RESID 256 (G): 2.522 ----- -2.367 0.440 ----- -0.702 RESID 257 (E): 1.837 ----- 1.367 1.384 -0.741 -0.215 RESID 258 (S): -5.970 ----- -0.050 -1.009 2.532 -0.772 RESID 259 (L): -2.769 ----- -2.536 -0.932 3.772 0.958 RESID 260 (F): 0.606 ----- -1.835 1.488 1.134 1.148 RESID 261 (L): 3.708 ----- 0.498 0.826 -4.043 0.863 RESID 262 (F): 1.517 ----- -0.333 1.837 1.430 0.226 RESID 263 (A): -2.227 ----- -1.726 0.981 2.892 0.601 RESID 264 (G): -7.052 ----- -1.634 0.481 ----- -1.130 RESID 265 (D): -0.385 ----- 0.032 -1.127 0.586 0.934 RESID 266 (Q): -1.202 ----- 0.143 -0.437 -0.156 -0.329 RESID 267 (K): -1.094 ----- 2.311 -0.161 -0.348 -0.041 RESID 268 (D): 1.941 ----- -0.939 1.002 1.299 -0.478 RESID 269 (A): 0.243 ----- 0.580 0.721 -0.702 -0.250 RESID 270 (D): 0.202 ----- 2.797 1.272 -0.385 0.778 RESID 271 (A): 3.002 ----- 1.486 1.482 -1.021 0.553 RESID 272 (I): -120.442 ----- 1.354 -0.767 -2.417 -1.063 RESID 273 (Y): -0.683 ----- 0.244 2.804 1.933 0.218 RESID 274 (A): -3.243 ----- 0.007 -0.969 0.156 -0.338 RESID 275 (N): 1.653 ----- 1.691 -0.324 1.549 -0.753 RESID 276 (P): ----- ----- 0.400 -0.273 0.398 ----- RESID 277 (L): -0.725 ----- -0.902 -0.926 0.215 -0.161 RESID 278 (L): -1.480 ----- -1.276 -1.747 -0.348 -0.195 RESID 279 (A): -4.482 ----- -0.097 0.725 1.107 -1.242 RESID 280 (H): -3.691 ----- 0.301 -0.863 0.893 0.154 RESID 281 (L): 1.566 ----- 0.423 0.374 -1.434 -0.156 RESID 282 (P): ----- ----- -0.194 0.339 0.440 ----- RESID 283 (A): -3.202 ----- -0.854 0.427 1.311 -0.459 RESID 284 (V): -3.262 ----- 1.068 -0.241 1.745 -1.123 RESID 285 (Q): 0.766 ----- 0.339 0.707 0.469 0.773 RESID 286 (N): -1.401 ----- 0.637 0.427 -0.343 0.054 RESID 287 (K): 2.611 ----- -0.122 0.238 -0.979 0.039 RESID 288 (Q): 2.546 ----- -0.377 -1.854 -0.284 0.468 RESID 289 (V): 0.632 ----- 0.075 0.545 -1.234 -0.658 RESID 290 (Y): 1.673 ----- -0.371 0.436 -1.834 -0.309 RESID 291 (A): 4.876 ----- 1.556 1.165 -1.565 0.407 RESID 292 (L): 0.980 ----- -0.733 0.626 0.212 -0.585 RESID 293 (G): 3.690 ----- 3.489 0.676 ----- 0.586 RESID 294 (T): 1.059 ----- 0.388 0.098 -0.850 0.234 RESID 295 (E): 2.166 ----- 1.124 0.227 0.236 1.539 RESID 296 (T): -5.605 ----- -0.695 1.113 1.417 -0.847 RESID 297 (F): -1.565 ----- -1.355 0.649 -0.143 0.306 RESID 298 (R): -3.008 ----- 0.899 -1.605 1.375 -0.707 RESID 299 (L): -1.136 ----- 0.442 0.297 -2.361 0.519 RESID 300 (D): 1.700 ----- -2.238 -1.350 0.628 -0.925 RESID 301 (Y): -3.386 ----- -0.898 -1.682 0.046 -1.061 RESID 302 (Y): -3.218 ----- 3.134 1.002 -0.011 -0.810 RESID 303 (S): 3.458 ----- -0.201 -0.785 0.567 -0.034 RESID 304 (A): 1.942 ----- 1.036 0.707 0.219 0.928 RESID 305 (M): -1.424 ----- 0.471 -1.669 -0.770 -0.254 RESID 306 (Q): 0.573 ----- 0.153 0.537 -0.370 -0.129 RESID 308 (L): ----- ----- 0.210 0.266 0.406 ----- RESID 309 (D): 0.052 ----- 0.720 0.292 0.483 -0.043 RESID 310 (R): 1.075 ----- 0.169 -0.604 -0.330 0.859 RESID 311 (L): -0.697 ----- 0.075 0.267 0.500 0.157 RESID 312 (K): -2.207 ----- -0.393 0.085 -0.052 -0.209 RESID 313 (A): -1.255 ----- 1.335 0.647 -0.452 -0.308 RESID 314 (L): 0.319 ----- 0.947 -0.470 1.372 -0.697 DATA CS_STAT_INFO N RMS: 8.237 ppm Count: 256 Average Difference: 0.460 +/- 8.240 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.225 ppm Count: 281 Average Difference: -0.166 +/- 1.215 ppm DATA CS_STAT_INFO CA RMS: 1.338 ppm Count: 283 Average Difference: -0.100 +/- 1.337 ppm DATA CS_STAT_INFO CB RMS: 1.420 ppm Count: 260 Average Difference: -0.161 +/- 1.413 ppm DATA CS_STAT_INFO HN RMS: 0.715 ppm Count: 256 Average Difference: -0.023 +/- 0.716 ppm ############################################################################ For conformer 13: Atom Original Corrected SPARTA Difference RESID 25 (D): N 120.600 120.600 120.701 -0.101 RESID 25 (D): C 174.400 174.400 175.912 -1.512 RESID 25 (D): CA 55.230 55.230 53.091 2.139 RESID 25 (D): CB 41.340 41.340 41.941 -0.601 RESID 25 (D): H 8.275 8.275 8.221 0.054 RESID 26 (W): N 120.100 120.100 123.405 -3.305 RESID 26 (W): C 174.200 174.200 175.074 -0.874 RESID 26 (W): CA 55.330 55.330 54.949 0.381 RESID 26 (W): CB 31.090 31.090 27.841 3.248 RESID 26 (W): H 7.788 7.788 7.623 0.165 RESID 27 (P): C 175.900 175.900 175.926 -0.026 RESID 27 (P): CA 62.800 62.800 63.092 -0.292 RESID 27 (P): CB 37.260 37.260 32.332 4.928 RESID 28 (R): N 118.000 118.000 121.811 -3.811 RESID 28 (R): C 173.700 173.700 175.139 -1.439 RESID 28 (R): CA 55.160 55.160 54.404 0.756 RESID 28 (R): CB 33.430 33.430 32.657 0.773 RESID 28 (R): H 8.686 8.686 8.622 0.064 RESID 29 (Q): N 120.800 120.800 121.671 -0.871 RESID 29 (Q): C 175.500 175.500 174.924 0.576 RESID 29 (Q): CA 54.780 54.780 56.068 -1.288 RESID 29 (Q): CB 30.700 30.700 29.259 1.441 RESID 29 (Q): H 8.506 8.506 8.601 -0.095 RESID 30 (I): N 124.300 124.300 126.081 -1.781 RESID 30 (I): C 175.700 175.700 175.072 0.628 RESID 30 (I): CA 58.520 58.520 59.400 -0.880 RESID 30 (I): CB 40.680 40.680 41.210 -0.530 RESID 30 (I): H 9.002 9.002 7.944 1.058 RESID 31 (T): N 125.200 125.200 121.942 3.258 RESID 31 (T): C 174.400 174.400 173.684 0.716 RESID 31 (T): CA 62.150 62.150 63.440 -1.290 RESID 31 (T): CB 70.640 70.640 69.598 1.042 RESID 31 (T): H 8.989 8.989 8.402 0.587 RESID 32 (D): N 129.500 129.500 123.745 5.755 RESID 32 (D): C 177.400 177.400 175.929 1.471 RESID 32 (D): CA 52.630 52.630 51.889 0.742 RESID 32 (D): CB 42.950 42.950 43.582 -0.632 RESID 32 (D): H 9.389 9.389 7.954 1.435 RESID 33 (S): N 111.900 111.900 116.310 -4.410 RESID 33 (S): C 175.600 175.600 176.048 -0.448 RESID 33 (S): CA 60.920 60.920 60.462 0.458 RESID 33 (S): CB 63.430 63.430 63.873 -0.443 RESID 33 (S): H 8.075 8.075 8.273 -0.198 RESID 34 (R): N 120.600 120.600 123.143 -2.543 RESID 34 (R): C 176.100 176.100 176.916 -0.816 RESID 34 (R): CA 55.020 55.020 58.536 -3.516 RESID 34 (R): CB 30.850 30.850 30.738 0.112 RESID 34 (R): H 8.433 8.433 7.833 0.600 RESID 35 (G): N 108.900 108.900 103.780 5.120 RESID 35 (G): C 171.200 171.200 173.497 -2.297 RESID 35 (G): CA 45.060 45.060 45.570 -0.510 RESID 35 (G): H 7.837 7.837 8.614 -0.777 RESID 36 (T): N 116.300 116.300 115.868 0.432 RESID 36 (T): C 173.800 173.800 172.835 0.965 RESID 36 (T): CA 62.670 62.670 62.601 0.069 RESID 36 (T): CB 70.000 70.000 70.182 -0.182 RESID 36 (T): H 8.192 8.192 7.651 0.541 RESID 37 (H): N 125.800 125.800 125.330 0.470 RESID 37 (H): C 174.000 174.000 173.267 0.733 RESID 37 (H): CA 54.060 54.060 55.404 -1.344 RESID 37 (H): CB 31.020 31.020 33.066 -2.046 RESID 37 (H): H 8.986 8.986 8.628 0.358 RESID 38 (T): N 121.500 121.500 117.674 3.826 RESID 38 (T): C 174.200 174.200 172.925 1.275 RESID 38 (T): CA 63.190 63.190 61.144 2.046 RESID 38 (T): CB 70.080 70.080 71.338 -1.258 RESID 38 (T): H 9.101 9.101 7.678 1.423 RESID 39 (L): N 129.600 129.600 122.442 7.158 RESID 39 (L): C 176.900 176.900 176.864 0.036 RESID 39 (L): CA 53.990 53.990 53.476 0.514 RESID 39 (L): CB 43.160 43.160 44.110 -0.950 RESID 39 (L): H 9.145 9.145 8.752 0.393 RESID 40 (E): N 124.300 124.300 125.710 -1.410 RESID 40 (E): C 175.600 175.600 175.928 -0.328 RESID 40 (E): CA 59.420 59.420 59.183 0.237 RESID 40 (E): CB 30.710 30.710 30.220 0.490 RESID 40 (E): H 9.164 9.164 9.038 0.126 RESID 41 (S): N 108.300 108.300 110.094 -1.794 RESID 41 (S): C 171.700 171.700 173.194 -1.494 RESID 41 (S): CA 56.270 56.270 57.137 -0.867 RESID 41 (S): CB 65.420 65.420 64.832 0.588 RESID 41 (S): H 7.326 7.326 7.488 -0.162 RESID 42 (Q): N 123.900 123.900 120.619 3.281 RESID 42 (Q): C 174.600 174.600 174.740 -0.140 RESID 42 (Q): CA 53.730 53.730 55.795 -2.065 RESID 42 (Q): CB 28.470 28.470 27.876 0.594 RESID 42 (Q): H 7.339 7.339 8.617 -1.278 RESID 43 (P): C 176.300 176.300 176.613 -0.313 RESID 43 (P): CA 64.080 64.080 63.366 0.714 RESID 43 (P): CB 32.510 32.510 32.413 0.097 RESID 44 (Q): N 125.100 125.100 122.498 2.602 RESID 44 (Q): C 175.400 175.400 176.019 -0.619 RESID 44 (Q): CA 55.780 55.780 57.208 -1.428 RESID 44 (Q): CB 32.660 32.660 29.821 2.839 RESID 44 (Q): H 11.160 11.160 8.545 2.615 RESID 45 (R): N 125.700 125.700 117.538 8.162 RESID 45 (R): C 174.600 174.600 174.088 0.512 RESID 45 (R): CA 55.310 55.310 55.246 0.064 RESID 45 (R): CB 33.070 33.070 33.097 -0.027 RESID 45 (R): H 10.010 10.010 7.568 2.442 RESID 47 (V): C 174.700 174.700 174.340 0.360 RESID 47 (V): CA 60.970 60.970 61.252 -0.282 RESID 47 (V): CB 34.140 34.140 34.370 -0.230 RESID 48 (S): N 118.300 118.300 120.316 -2.016 RESID 48 (S): C 175.500 175.500 173.580 1.920 RESID 48 (S): CA 55.700 55.700 57.601 -1.901 RESID 48 (S): CB 64.750 64.750 65.846 -1.096 RESID 48 (S): H 7.852 7.852 8.492 -0.640 RESID 49 (T): N 116.800 116.800 112.720 4.080 RESID 49 (T): C 171.500 171.500 174.469 -2.969 RESID 49 (T): CA 62.400 62.400 61.467 0.933 RESID 49 (T): CB 69.320 69.320 69.711 -0.391 RESID 49 (T): H 8.283 8.283 8.640 -0.357 RESID 50 (S): N 116.200 116.200 116.480 -0.280 RESID 50 (S): C 174.600 174.600 175.234 -0.634 RESID 50 (S): CA 54.640 54.640 56.616 -1.976 RESID 50 (S): CB 64.000 64.000 64.178 -0.178 RESID 50 (S): H 7.627 7.627 7.731 -0.104 RESID 51 (V): N 134.300 134.300 129.312 4.988 RESID 51 (V): C 175.100 175.100 177.822 -2.722 RESID 51 (V): CA 65.620 65.620 65.807 -0.187 RESID 51 (V): CB 31.790 31.790 31.896 -0.106 RESID 51 (V): H 9.218 9.218 9.057 0.161 RESID 52 (T): N 117.000 117.000 116.426 0.574 RESID 52 (T): C 179.700 179.700 176.553 3.147 RESID 52 (T): CA 67.390 67.390 66.145 1.245 RESID 52 (T): CB 69.130 69.130 68.567 0.563 RESID 52 (T): H 7.841 7.841 8.013 -0.172 RESID 53 (L): N 123.400 123.400 122.311 1.089 RESID 53 (L): C 178.700 178.700 178.379 0.321 RESID 53 (L): CA 57.460 57.460 58.218 -0.758 RESID 53 (L): CB 42.610 42.610 41.782 0.828 RESID 53 (L): H 8.092 8.092 8.631 -0.539 RESID 54 (T): N 117.500 117.500 115.717 1.783 RESID 54 (T): C 174.900 174.900 176.641 -1.741 RESID 54 (T): CA 67.070 67.070 67.723 -0.653 RESID 54 (T): H 8.039 8.039 8.110 -0.071 RESID 55 (G): N 105.500 105.500 109.169 -3.669 RESID 55 (G): C 175.600 175.600 175.782 -0.182 RESID 55 (G): CA 47.260 47.260 46.929 0.331 RESID 55 (G): H 6.591 6.591 7.851 -1.260 RESID 56 (S): N 117.000 117.000 117.795 -0.795 RESID 56 (S): C 175.600 175.600 176.755 -1.155 RESID 56 (S): CA 63.400 63.400 61.457 1.943 RESID 56 (S): CB 65.060 65.060 63.088 1.972 RESID 56 (S): H 6.709 6.709 7.962 -1.253 RESID 58 (L): C 181.200 181.200 179.415 1.785 RESID 58 (L): CA 57.480 57.480 57.748 -0.268 RESID 58 (L): CB 40.810 40.810 40.909 -0.099 RESID 59 (A): N 122.100 122.100 122.873 -0.773 RESID 59 (A): C 178.500 178.500 178.799 -0.299 RESID 59 (A): CA 55.540 55.540 54.806 0.734 RESID 59 (A): CB 18.440 18.440 18.772 -0.332 RESID 59 (A): H 7.797 7.797 8.112 -0.315 RESID 60 (I): C 172.700 172.700 174.247 -1.547 RESID 60 (I): CA 60.390 60.390 60.210 0.180 RESID 60 (I): CB 37.930 37.930 37.509 0.421 RESID 61 (D): N 116.200 116.200 118.655 -2.455 RESID 61 (D): C 174.800 174.800 174.572 0.228 RESID 61 (D): CA 55.850 55.850 55.791 0.059 RESID 61 (D): CB 38.930 38.930 38.957 -0.027 RESID 61 (D): H 7.736 7.736 7.733 0.003 RESID 62 (A): N 118.900 118.900 122.012 -3.112 RESID 62 (A): C 176.800 176.800 174.121 2.679 RESID 62 (A): CA 50.040 50.040 50.890 -0.850 RESID 62 (A): CB 17.940 17.940 19.570 -1.630 RESID 62 (A): H 7.820 7.820 7.724 0.096 RESID 63 (P): C 173.600 173.600 175.706 -2.106 RESID 63 (P): CA 63.250 63.250 62.642 0.608 RESID 63 (P): CB 27.640 27.640 32.342 -4.702 RESID 64 (V): N 123.100 123.100 119.150 3.950 RESID 64 (V): C 174.800 174.800 175.712 -0.912 RESID 64 (V): CA 58.420 58.420 59.860 -1.440 RESID 64 (V): CB 33.300 33.300 34.105 -0.805 RESID 64 (V): H 8.299 8.299 7.864 0.435 RESID 65 (I): N 122.000 122.000 126.356 -4.356 RESID 65 (I): C 177.100 177.100 175.584 1.516 RESID 65 (I): CA 61.010 61.010 64.043 -3.033 RESID 65 (I): CB 39.480 39.480 38.211 1.269 RESID 65 (I): H 8.589 8.589 8.428 0.161 RESID 66 (A): N 120.700 120.700 116.452 4.248 RESID 66 (A): C 175.100 175.100 175.198 -0.098 RESID 66 (A): CA 51.300 51.300 50.648 0.652 RESID 66 (A): CB 22.980 22.980 21.495 1.485 RESID 66 (A): H 7.246 7.246 7.671 -0.425 RESID 67 (S): N 111.700 111.700 116.750 -5.050 RESID 67 (S): C 176.500 176.500 174.201 2.299 RESID 67 (S): CA 55.230 55.230 57.307 -2.077 RESID 67 (S): CB 65.300 65.300 67.733 -2.433 RESID 67 (S): H 8.561 8.561 8.320 0.241 RESID 68 (G): N 112.900 112.900 107.257 5.643 RESID 68 (G): C 171.000 171.000 172.604 -1.604 RESID 68 (G): CA 46.580 46.580 44.471 2.110 RESID 68 (G): H 7.604 7.604 8.713 -1.109 RESID 69 (A): N 122.300 122.300 125.973 -3.673 RESID 69 (A): C 177.900 177.900 175.255 2.645 RESID 69 (A): CA 51.280 51.280 52.447 -1.167 RESID 69 (A): CB 23.440 23.440 21.443 1.997 RESID 69 (A): H 7.402 7.402 8.185 -0.783 RESID 70 (T): N 119.600 119.600 115.043 4.557 RESID 70 (T): C 171.400 171.400 174.012 -2.612 RESID 70 (T): CA 58.150 58.150 61.212 -3.062 RESID 70 (T): CB 70.880 70.880 69.364 1.516 RESID 70 (T): H 9.171 9.171 8.204 0.967 RESID 71 (T): N 116.500 116.500 118.828 -2.328 RESID 71 (T): C 172.500 172.500 173.152 -0.652 RESID 71 (T): CA 61.680 61.680 61.360 0.320 RESID 71 (T): CB 70.490 70.490 68.110 2.380 RESID 71 (T): H 7.663 7.663 8.362 -0.699 RESID 72 (P): C 177.100 177.100 176.219 0.881 RESID 72 (P): CA 63.390 63.390 63.780 -0.390 RESID 72 (P): CB 32.940 32.940 32.196 0.744 RESID 73 (N): N 115.200 115.200 119.735 -4.535 RESID 73 (N): C 174.600 174.600 176.208 -1.608 RESID 73 (N): CA 54.570 54.570 53.883 0.687 RESID 73 (N): CB 37.020 37.020 38.492 -1.472 RESID 73 (N): H 7.990 7.990 8.630 -0.640 RESID 74 (N): C 175.800 175.800 176.977 -1.177 RESID 74 (N): CA 60.660 60.660 55.686 4.974 RESID 74 (N): CB 38.070 38.070 37.799 0.271 RESID 75 (R): N 114.600 114.600 120.963 -6.363 RESID 75 (R): C 177.400 177.400 177.539 -0.139 RESID 75 (R): CA 59.940 59.940 58.858 1.082 RESID 75 (R): CB 31.110 31.110 30.047 1.063 RESID 75 (R): H 8.049 8.049 8.334 -0.285 RESID 76 (V): N 107.100 107.100 117.332 -10.232 RESID 76 (V): C 176.000 176.000 175.954 0.046 RESID 76 (V): CA 61.110 61.110 64.037 -2.926 RESID 76 (V): CB 33.590 33.590 31.569 2.021 RESID 76 (V): H 7.356 7.356 8.181 -0.825 RESID 77 (A): N 126.900 126.900 121.108 5.792 RESID 77 (A): C 176.500 176.500 177.578 -1.078 RESID 77 (A): CA 51.390 51.390 52.444 -1.054 RESID 77 (A): CB 24.260 24.260 19.137 5.123 RESID 77 (A): H 7.873 7.873 7.169 0.704 RESID 78 (D): N 118.700 118.700 117.022 1.678 RESID 78 (D): C 178.100 178.100 175.913 2.187 RESID 78 (D): CA 51.970 51.970 52.893 -0.923 RESID 78 (D): CB 41.360 41.360 40.995 0.366 RESID 78 (D): H 8.607 8.607 8.181 0.426 RESID 79 (D): N 116.600 116.600 115.791 0.809 RESID 79 (D): C 176.400 176.400 176.107 0.293 RESID 79 (D): CA 56.030 56.030 54.921 1.109 RESID 79 (D): CB 40.100 40.100 39.200 0.900 RESID 79 (D): H 8.258 8.258 8.405 -0.147 RESID 80 (Q): N 117.200 117.200 121.548 -4.348 RESID 80 (Q): C 175.700 175.700 176.872 -1.172 RESID 80 (Q): CA 54.970 54.970 56.452 -1.482 RESID 80 (Q): CB 30.840 30.840 28.414 2.426 RESID 80 (Q): H 8.160 8.160 8.345 -0.185 RESID 81 (G): N 105.300 105.300 105.313 -0.013 RESID 81 (G): C 174.200 174.200 173.336 0.864 RESID 81 (G): CA 45.740 45.740 44.785 0.955 RESID 81 (G): H 7.419 7.419 8.061 -0.642 RESID 82 (F): N 121.700 121.700 121.055 0.645 RESID 82 (F): C 175.300 175.300 175.733 -0.433 RESID 82 (F): CA 52.530 52.530 56.776 -4.246 RESID 82 (F): CB 37.430 37.430 40.067 -2.637 RESID 82 (F): H 8.154 8.154 7.841 0.313 RESID 83 (L): C 178.400 178.400 177.446 0.954 RESID 83 (L): CA 55.550 55.550 55.192 0.358 RESID 83 (L): CB 38.480 38.480 41.962 -3.482 RESID 84 (R): N 119.000 119.000 118.713 0.287 RESID 84 (R): C 178.300 178.300 177.551 0.749 RESID 84 (R): CA 60.690 60.690 57.254 3.436 RESID 84 (R): CB 31.530 31.530 29.888 1.642 RESID 84 (R): H 7.746 7.746 8.433 -0.687 RESID 85 (Q): N 116.400 116.400 119.024 -2.624 RESID 85 (Q): C 174.700 174.700 177.397 -2.697 RESID 85 (Q): CA 58.200 58.200 58.008 0.192 RESID 85 (Q): CB 26.140 26.140 29.295 -3.155 RESID 85 (Q): H 9.838 9.838 7.977 1.861 RESID 86 (W): N 115.600 115.600 121.965 -6.365 RESID 86 (W): C 175.900 175.900 177.764 -1.864 RESID 86 (W): CA 55.320 55.320 60.432 -5.112 RESID 86 (W): CB 27.470 27.470 29.620 -2.150 RESID 86 (W): H 6.600 6.600 8.557 -1.957 RESID 87 (S): N 118.500 118.500 114.572 3.928 RESID 87 (S): C 177.300 177.300 175.856 1.444 RESID 87 (S): CA 62.340 62.340 61.757 0.583 RESID 87 (S): H 7.067 7.067 8.335 -1.268 RESID 88 (K): N 118.300 118.300 122.230 -3.930 RESID 88 (K): C 179.000 179.000 178.826 0.174 RESID 88 (K): CA 59.970 59.970 59.502 0.468 RESID 88 (K): CB 32.380 32.380 32.475 -0.095 RESID 88 (K): H 8.615 8.615 7.643 0.972 RESID 89 (V): N 120.600 120.600 114.271 6.329 RESID 89 (V): C 178.100 178.100 177.301 0.799 RESID 89 (V): CA 65.530 65.530 65.456 0.075 RESID 89 (V): CB 32.180 32.180 31.670 0.510 RESID 89 (V): H 7.089 7.089 7.742 -0.653 RESID 90 (A): N 120.700 120.700 121.105 -0.405 RESID 90 (A): C 180.000 180.000 178.931 1.069 RESID 90 (A): CA 55.490 55.490 54.139 1.351 RESID 90 (A): CB 19.130 19.130 17.807 1.323 RESID 90 (A): H 7.979 7.979 7.325 0.654 RESID 91 (K): N 117.600 117.600 118.060 -0.460 RESID 91 (K): C 180.900 180.900 177.875 3.025 RESID 91 (K): CA 59.830 59.830 58.846 0.985 RESID 91 (K): CB 32.700 32.700 32.710 -0.010 RESID 91 (K): H 7.844 7.844 8.112 -0.268 RESID 92 (E): N 122.300 122.300 117.211 5.089 RESID 92 (E): C 178.600 178.600 177.099 1.501 RESID 92 (E): CA 59.590 59.590 57.305 2.285 RESID 92 (E): CB 29.740 29.740 30.424 -0.684 RESID 92 (E): H 8.178 8.178 7.710 0.468 RESID 93 (R): N 115.300 115.300 118.434 -3.134 RESID 93 (R): C 175.000 175.000 174.660 0.340 RESID 93 (R): CA 56.320 56.320 55.532 0.787 RESID 93 (R): CB 29.390 29.390 30.925 -1.536 RESID 93 (R): H 7.776 7.776 8.056 -0.280 RESID 94 (K): N 116.800 116.800 115.051 1.749 RESID 94 (K): C 176.400 176.400 175.729 0.671 RESID 94 (K): CA 56.950 56.950 57.590 -0.640 RESID 94 (K): CB 28.870 28.870 30.279 -1.409 RESID 94 (K): H 7.697 7.697 8.393 -0.696 RESID 95 (L): N 120.600 120.600 121.592 -0.992 RESID 95 (L): C 177.200 177.200 176.873 0.327 RESID 95 (L): CA 56.710 56.710 56.027 0.683 RESID 95 (L): CB 43.480 43.480 42.410 1.070 RESID 95 (L): H 7.708 7.708 7.631 0.077 RESID 96 (Q): N 124.900 124.900 124.360 0.540 RESID 96 (Q): C 175.000 175.000 175.921 -0.921 RESID 96 (Q): CA 55.570 55.570 54.885 0.685 RESID 96 (Q): CB 30.080 30.080 29.767 0.313 RESID 96 (Q): H 7.526 7.526 8.387 -0.861 RESID 97 (R): N 126.000 126.000 119.586 6.414 RESID 97 (R): C 176.800 176.800 175.972 0.828 RESID 97 (R): CA 55.610 55.610 56.720 -1.110 RESID 97 (R): CB 31.840 31.840 30.318 1.522 RESID 97 (R): H 9.039 9.039 8.546 0.493 RESID 98 (L): N 126.500 126.500 124.147 2.353 RESID 98 (L): C 175.400 175.400 175.388 0.012 RESID 98 (L): CA 56.610 56.610 54.309 2.301 RESID 98 (L): CB 47.140 47.140 43.628 3.512 RESID 98 (L): H 8.247 8.247 8.606 -0.359 RESID 99 (Y): N 110.000 110.000 112.010 -2.010 RESID 99 (Y): C 173.200 173.200 174.576 -1.376 RESID 99 (Y): CA 55.320 55.320 56.173 -0.853 RESID 99 (Y): CB 38.350 38.350 39.347 -0.997 RESID 99 (Y): H 6.465 6.465 7.818 -1.353 RESID 100 (I): N 120.000 120.000 126.184 -6.184 RESID 100 (I): C 176.800 176.800 177.153 -0.353 RESID 100 (I): CA 61.290 61.290 63.104 -1.814 RESID 100 (I): CB 39.980 39.980 36.415 3.565 RESID 100 (I): H 8.725 8.725 8.620 0.105 RESID 101 (G): N 114.800 114.800 113.915 0.885 RESID 101 (G): C 173.400 173.400 174.109 -0.709 RESID 101 (G): CA 47.030 47.030 44.823 2.207 RESID 101 (G): H 8.224 8.224 8.482 -0.258 RESID 102 (E): N 129.600 129.600 118.680 10.920 RESID 102 (E): C 173.700 173.700 174.486 -0.786 RESID 102 (E): CA 54.480 54.480 54.010 0.470 RESID 102 (E): CB 29.790 29.790 27.766 2.024 RESID 102 (E): H 8.294 8.294 8.008 0.286 RESID 103 (P): C 175.400 175.400 176.236 -0.836 RESID 103 (P): CA 62.040 62.040 63.418 -1.378 RESID 103 (P): CB 32.570 32.570 32.660 -0.090 RESID 104 (S): N 111.900 111.900 117.133 -5.233 RESID 104 (S): C 174.800 174.800 174.646 0.154 RESID 104 (S): CA 55.340 55.340 58.504 -3.164 RESID 104 (S): CB 64.330 64.330 64.403 -0.073 RESID 104 (S): H 5.412 5.412 7.969 -2.557 RESID 105 (A): N 130.200 130.200 129.941 0.259 RESID 105 (A): C 179.400 179.400 179.054 0.346 RESID 105 (A): CA 55.070 55.070 54.320 0.750 RESID 105 (A): CB 18.210 18.210 19.111 -0.901 RESID 105 (A): H 9.211 9.211 8.879 0.332 RESID 106 (E): N 119.800 119.800 119.423 0.377 RESID 106 (E): C 179.300 179.300 178.854 0.446 RESID 106 (E): CA 60.270 60.270 59.022 1.248 RESID 106 (E): CB 28.990 28.990 29.463 -0.473 RESID 106 (E): H 8.731 8.731 8.594 0.137 RESID 107 (A): N 121.600 121.600 122.103 -0.503 RESID 107 (A): C 180.100 180.100 179.737 0.363 RESID 107 (A): CA 54.650 54.650 54.931 -0.280 RESID 107 (A): CB 19.220 19.220 18.433 0.787 RESID 107 (A): H 7.682 7.682 7.816 -0.134 RESID 108 (V): N 116.600 116.600 118.571 -1.971 RESID 108 (V): C 177.700 177.700 178.506 -0.806 RESID 108 (V): CA 66.920 66.920 65.959 0.961 RESID 108 (V): CB 31.430 31.430 31.731 -0.301 RESID 108 (V): H 7.015 7.015 7.515 -0.500 RESID 109 (A): N 121.400 121.400 122.822 -1.422 RESID 109 (A): C 181.100 181.100 179.263 1.837 RESID 109 (A): CA 55.540 55.540 54.920 0.620 RESID 109 (A): CB 17.900 17.900 18.054 -0.154 RESID 109 (A): H 8.262 8.262 8.104 0.158 RESID 110 (A): N 118.800 118.800 119.542 -0.742 RESID 110 (A): C 178.900 178.900 178.637 0.263 RESID 110 (A): CA 54.300 54.300 54.551 -0.251 RESID 110 (A): CB 18.460 18.460 18.495 -0.035 RESID 110 (A): H 7.607 7.607 7.917 -0.310 RESID 111 (Q): N 113.500 113.500 114.537 -1.037 RESID 111 (Q): C 174.900 174.900 175.929 -1.029 RESID 111 (Q): CA 55.160 55.160 54.226 0.934 RESID 111 (Q): CB 28.450 28.450 28.655 -0.205 RESID 111 (Q): H 7.148 7.148 7.443 -0.295 RESID 112 (M): N 114.700 114.700 120.951 -6.251 RESID 112 (M): C 173.300 173.300 173.254 0.046 RESID 112 (M): CA 55.900 55.900 55.520 0.380 RESID 112 (M): CB 30.300 30.300 31.752 -1.452 RESID 112 (M): H 7.882 7.882 7.927 -0.045 RESID 113 (P): C 176.700 176.700 176.289 0.411 RESID 113 (P): CA 62.820 62.820 62.590 0.230 RESID 113 (P): CB 33.340 33.340 33.028 0.312 RESID 114 (D): N 115.800 115.800 117.928 -2.128 RESID 114 (D): C 175.900 175.900 175.918 -0.018 RESID 114 (D): CA 53.150 53.150 55.178 -2.029 RESID 114 (D): CB 40.990 40.990 43.023 -2.033 RESID 114 (D): H 8.850 8.850 8.222 0.628 RESID 115 (L): C 174.900 174.900 174.290 0.610 RESID 115 (L): CA 52.800 52.800 54.144 -1.344 RESID 116 (I): N 123.500 123.500 126.244 -2.744 RESID 116 (I): CA 60.270 60.270 60.114 0.156 RESID 116 (I): H 9.340 9.340 8.021 1.319 RESID 118 (I): C 174.400 174.400 175.450 -1.050 RESID 118 (I): CA 60.250 60.250 59.770 0.479 RESID 118 (I): CB 42.610 42.610 41.418 1.192 RESID 119 (S): N 121.600 121.600 121.676 -0.076 RESID 119 (S): C 175.700 175.700 175.120 0.580 RESID 119 (S): CA 57.150 57.150 57.771 -0.621 RESID 119 (S): CB 65.280 65.280 64.586 0.694 RESID 119 (S): H 9.575 9.575 8.568 1.007 RESID 120 (A): N 126.000 126.000 124.420 1.580 RESID 120 (A): C 176.900 176.900 177.364 -0.464 RESID 120 (A): CA 54.300 54.300 54.351 -0.051 RESID 120 (A): CB 20.530 20.530 19.003 1.527 RESID 120 (A): H 8.143 8.143 8.698 -0.555 RESID 121 (T): N 106.400 106.400 110.099 -3.699 RESID 121 (T): C 173.000 173.000 173.390 -0.390 RESID 121 (T): CA 59.450 59.450 61.900 -2.450 RESID 121 (T): CB 72.310 72.310 70.607 1.703 RESID 121 (T): H 7.617 7.617 7.943 -0.326 RESID 122 (G): N 104.200 104.200 111.321 -7.121 RESID 122 (G): C 177.200 177.200 174.177 3.023 RESID 122 (G): CA 44.430 44.430 45.230 -0.800 RESID 122 (G): H 7.998 7.998 7.883 0.115 RESID 123 (G): C 174.100 174.100 174.322 -0.222 RESID 123 (G): CA 46.710 46.710 45.678 1.032 RESID 124 (D): N 116.900 116.900 119.155 -2.255 RESID 124 (D): C 176.900 176.900 175.740 1.160 RESID 124 (D): CA 52.320 52.320 52.910 -0.590 RESID 124 (D): CB 40.690 40.690 40.614 0.076 RESID 124 (D): H 8.617 8.617 7.728 0.889 RESID 125 (S): N 115.100 115.100 119.120 -4.020 RESID 125 (S): C 176.900 176.900 175.174 1.726 RESID 125 (S): CA 58.750 58.750 58.667 0.083 RESID 125 (S): CB 64.190 64.190 64.076 0.114 RESID 125 (S): H 7.322 7.322 8.438 -1.116 RESID 126 (A): N 134.900 134.900 130.062 4.838 RESID 126 (A): C 176.700 176.700 178.661 -1.961 RESID 126 (A): CA 51.150 51.150 53.502 -2.352 RESID 126 (A): CB 16.850 16.850 19.094 -2.244 RESID 126 (A): H 8.837 8.837 8.615 0.222 RESID 127 (L): N 121.000 121.000 121.000 0.000 RESID 127 (L): C 178.900 178.900 178.331 0.569 RESID 127 (L): CA 58.730 58.730 57.284 1.446 RESID 127 (L): CB 42.840 42.840 41.618 1.222 RESID 127 (L): H 7.353 7.353 8.144 -0.791 RESID 128 (A): N 121.600 121.600 118.119 3.481 RESID 128 (A): C 178.900 178.900 178.122 0.778 RESID 128 (A): CA 55.010 55.010 54.161 0.849 RESID 128 (A): CB 18.200 18.200 18.696 -0.496 RESID 128 (A): H 8.918 8.918 7.618 1.300 RESID 129 (L): N 116.800 116.800 116.197 0.603 RESID 129 (L): C 177.000 177.000 177.870 -0.870 RESID 129 (L): CA 53.930 53.930 55.231 -1.301 RESID 129 (L): CB 42.710 42.710 43.111 -0.401 RESID 129 (L): H 7.776 7.776 7.423 0.353 RESID 130 (Y): N 122.000 122.000 122.829 -0.829 RESID 130 (Y): C 177.100 177.100 176.729 0.371 RESID 130 (Y): CA 64.420 64.420 62.972 1.448 RESID 130 (Y): CB 39.470 39.470 38.429 1.041 RESID 130 (Y): H 7.891 7.891 8.993 -1.102 RESID 131 (D): N 119.000 119.000 117.794 1.206 RESID 131 (D): C 178.300 178.300 178.441 -0.141 RESID 131 (D): CA 58.040 58.040 57.454 0.586 RESID 131 (D): CB 39.660 39.660 39.357 0.303 RESID 131 (D): H 9.014 9.014 8.111 0.903 RESID 132 (Q): N 118.900 118.900 119.997 -1.097 RESID 132 (Q): C 179.100 179.100 178.905 0.195 RESID 132 (Q): CA 58.930 58.930 58.615 0.315 RESID 132 (Q): CB 29.320 29.320 28.767 0.553 RESID 132 (Q): H 7.814 7.814 7.994 -0.180 RESID 133 (L): N 119.700 119.700 120.196 -0.496 RESID 133 (L): C 177.900 177.900 178.599 -0.699 RESID 133 (L): CA 57.910 57.910 57.697 0.213 RESID 133 (L): CB 40.980 40.980 41.788 -0.808 RESID 133 (L): H 8.450 8.450 8.822 -0.372 RESID 134 (S): N 111.800 111.800 114.885 -3.085 RESID 134 (S): C 175.500 175.500 175.868 -0.368 RESID 134 (S): CA 61.160 61.160 60.965 0.195 RESID 134 (S): CB 63.450 63.450 62.691 0.760 RESID 134 (S): H 8.128 8.128 8.461 -0.333 RESID 135 (T): N 111.100 111.100 116.012 -4.912 RESID 135 (T): C 175.300 175.300 176.609 -1.309 RESID 135 (T): CA 63.230 63.230 65.300 -2.070 RESID 135 (T): CB 69.670 69.670 69.010 0.660 RESID 135 (T): H 6.953 6.953 7.555 -0.602 RESID 136 (I): N 124.400 124.400 120.479 3.921 RESID 136 (I): C 175.800 175.800 175.595 0.205 RESID 136 (I): CA 63.940 63.940 64.035 -0.095 RESID 136 (I): CB 38.870 38.870 38.584 0.286 RESID 136 (I): H 7.694 7.694 7.358 0.336 RESID 137 (A): N 120.500 120.500 118.668 1.832 RESID 137 (A): C 172.300 172.300 173.978 -1.678 RESID 137 (A): CA 50.470 50.470 50.574 -0.104 RESID 137 (A): CB 19.320 19.320 19.487 -0.167 RESID 137 (A): H 7.540 7.540 7.985 -0.445 RESID 138 (P): C 174.700 174.700 176.198 -1.498 RESID 138 (P): CA 64.700 64.700 63.623 1.077 RESID 138 (P): CB 31.610 31.610 31.554 0.056 RESID 139 (T): N 122.000 122.000 119.819 2.181 RESID 139 (T): C 173.900 173.900 173.933 -0.033 RESID 139 (T): CA 61.630 61.630 63.176 -1.546 RESID 139 (T): CB 71.540 71.540 69.699 1.841 RESID 139 (T): H 7.990 7.990 8.171 -0.181 RESID 140 (L): C 174.900 174.900 174.408 0.492 RESID 140 (L): CA 52.740 52.740 53.452 -0.712 RESID 140 (L): CB 46.680 46.680 46.260 0.420 RESID 141 (I): N 123.500 123.500 125.687 -2.187 RESID 141 (I): C 175.700 175.700 174.613 1.087 RESID 141 (I): CA 60.250 60.250 61.074 -0.824 RESID 141 (I): CB 39.590 39.590 38.867 0.723 RESID 141 (I): H 9.345 9.345 8.000 1.345 RESID 142 (I): N 129.000 129.000 126.726 2.274 RESID 142 (I): C 174.400 174.400 173.914 0.486 RESID 142 (I): CA 57.930 57.930 59.919 -1.989 RESID 142 (I): CB 39.690 39.690 42.209 -2.519 RESID 142 (I): H 9.030 9.030 9.030 0.000 RESID 143 (N): N 129.100 129.100 124.188 4.912 RESID 143 (N): C 174.700 174.700 173.977 0.723 RESID 143 (N): CA 51.390 51.390 53.036 -1.646 RESID 143 (N): CB 39.720 39.720 39.610 0.110 RESID 143 (N): H 9.388 9.388 8.655 0.733 RESID 144 (Y): N 119.900 119.900 126.162 -6.262 RESID 144 (Y): C 176.500 176.500 174.891 1.609 RESID 144 (Y): CA 55.820 55.820 59.639 -3.819 RESID 144 (Y): CB 39.120 39.120 39.083 0.037 RESID 144 (Y): H 8.491 8.491 8.569 -0.078 RESID 145 (D): N 125.200 125.200 124.293 0.907 RESID 145 (D): C 176.800 176.800 174.978 1.822 RESID 145 (D): CA 55.220 55.220 55.481 -0.261 RESID 145 (D): CB 43.120 43.120 39.749 3.371 RESID 145 (D): H 8.800 8.800 8.341 0.460 RESID 146 (D): N 119.100 119.100 114.966 4.134 RESID 146 (D): C 175.200 175.200 175.328 -0.128 RESID 146 (D): CA 53.230 53.230 53.656 -0.426 RESID 146 (D): CB 40.760 40.760 42.437 -1.677 RESID 146 (D): H 7.571 7.571 8.565 -0.994 RESID 147 (K): N 114.100 114.100 119.786 -5.686 RESID 147 (K): C 175.000 175.000 175.260 -0.260 RESID 147 (K): CA 54.070 54.070 55.607 -1.537 RESID 147 (K): CB 33.340 33.340 35.208 -1.868 RESID 147 (K): H 7.018 7.018 7.558 -0.540 RESID 148 (S): N 118.300 118.300 118.704 -0.404 RESID 148 (S): C 175.700 175.700 176.083 -0.383 RESID 148 (S): CA 57.120 57.120 57.142 -0.023 RESID 148 (S): CB 64.970 64.970 64.285 0.685 RESID 148 (S): H 8.709 8.709 8.507 0.202 RESID 149 (W): N 121.700 121.700 119.847 1.853 RESID 149 (W): C 179.300 179.300 177.196 2.104 RESID 149 (W): CA 59.890 59.890 58.576 1.314 RESID 149 (W): CB 27.660 27.660 28.384 -0.724 RESID 149 (W): H 8.779 8.779 8.909 -0.130 RESID 150 (Q): N 124.600 124.600 120.811 3.789 RESID 150 (Q): C 178.100 178.100 177.990 0.110 RESID 150 (Q): CA 61.660 61.660 58.142 3.518 RESID 150 (Q): CB 26.550 26.550 27.671 -1.121 RESID 150 (Q): H 8.369 8.369 6.805 1.564 RESID 151 (S): N 117.500 117.500 116.400 1.100 RESID 151 (S): C 177.500 177.500 176.914 0.586 RESID 151 (S): CA 61.760 61.760 61.162 0.598 RESID 151 (S): CB 63.360 63.360 62.637 0.723 RESID 151 (S): H 7.769 7.769 7.714 0.055 RESID 152 (L): N 125.200 125.200 122.635 2.565 RESID 152 (L): C 178.700 178.700 178.140 0.560 RESID 152 (L): CA 58.320 58.320 57.932 0.388 RESID 152 (L): CB 41.980 41.980 41.690 0.290 RESID 152 (L): H 8.460 8.460 8.420 0.040 RESID 153 (L): N 119.200 119.200 118.598 0.602 RESID 153 (L): C 179.700 179.700 178.650 1.050 RESID 153 (L): CA 58.960 58.960 57.530 1.430 RESID 153 (L): CB 41.270 41.270 41.365 -0.095 RESID 153 (L): H 8.562 8.562 7.594 0.968 RESID 154 (T): N 116.300 116.300 112.792 3.508 RESID 154 (T): C 177.200 177.200 176.893 0.307 RESID 154 (T): CA 67.290 67.290 65.967 1.323 RESID 154 (T): CB 68.640 68.640 68.106 0.534 RESID 154 (T): H 8.004 8.004 7.867 0.137 RESID 155 (Q): N 124.500 124.500 120.983 3.517 RESID 155 (Q): C 179.200 179.200 177.978 1.222 RESID 155 (Q): CA 59.710 59.710 58.330 1.380 RESID 155 (Q): CB 28.620 28.620 28.349 0.271 RESID 155 (Q): H 8.230 8.230 7.917 0.313 RESID 156 (L): C 180.900 180.900 179.256 1.644 RESID 156 (L): CA 57.540 57.540 56.909 0.631 RESID 156 (L): CB 41.710 41.710 41.844 -0.134 RESID 157 (G): N 112.800 112.800 106.997 5.803 RESID 157 (G): C 174.500 174.500 175.047 -0.547 RESID 157 (G): CA 48.300 48.300 46.504 1.796 RESID 157 (G): H 9.216 9.216 7.989 1.227 RESID 158 (E): N 123.500 123.500 118.612 4.888 RESID 158 (E): C 177.800 177.800 177.133 0.667 RESID 158 (E): CA 59.120 59.120 57.806 1.314 RESID 158 (E): CB 29.700 29.700 29.379 0.321 RESID 158 (E): H 7.480 7.480 7.458 0.022 RESID 160 (T): C 178.300 178.300 175.987 2.313 RESID 160 (T): CA 61.930 61.930 63.144 -1.214 RESID 160 (T): CB 71.830 71.830 69.189 2.641 RESID 161 (G): N 113.600 113.600 113.885 -0.285 RESID 161 (G): C 174.600 174.600 174.160 0.440 RESID 161 (G): CA 48.130 48.130 46.873 1.257 RESID 161 (G): H 8.114 8.114 8.995 -0.881 RESID 162 (H): N 121.000 121.000 116.121 4.879 RESID 162 (H): C 174.000 174.000 176.168 -2.168 RESID 162 (H): CA 55.370 55.370 55.833 -0.463 RESID 162 (H): CB 28.280 28.280 31.265 -2.985 RESID 162 (H): H 8.506 8.506 7.839 0.667 RESID 163 (E): N 123.900 123.900 122.167 1.733 RESID 163 (E): C 180.800 180.800 178.477 2.323 RESID 163 (E): CA 61.160 61.160 59.750 1.410 RESID 163 (E): CB 28.720 28.720 29.151 -0.431 RESID 163 (E): H 10.300 10.300 8.757 1.543 RESID 164 (K): N 120.600 120.600 120.344 0.256 RESID 164 (K): C 178.700 178.700 178.786 -0.086 RESID 164 (K): CA 59.590 59.590 60.037 -0.447 RESID 164 (K): CB 32.280 32.280 31.973 0.307 RESID 164 (K): H 8.789 8.789 8.386 0.403 RESID 165 (Q): N 119.500 119.500 117.333 2.167 RESID 165 (Q): C 178.800 178.800 178.141 0.659 RESID 165 (Q): CA 60.870 60.870 58.857 2.013 RESID 165 (Q): CB 28.120 28.120 28.380 -0.260 RESID 165 (Q): H 8.058 8.058 8.539 -0.481 RESID 166 (A): N 121.100 121.100 122.384 -1.284 RESID 166 (A): C 178.000 178.000 179.426 -1.426 RESID 166 (A): CA 56.280 56.280 54.960 1.320 RESID 166 (A): CB 18.300 18.300 18.075 0.225 RESID 166 (A): H 7.873 7.873 8.059 -0.186 RESID 167 (A): N 117.900 117.900 120.926 -3.026 RESID 167 (A): C 181.500 181.500 179.614 1.886 RESID 167 (A): CA 55.100 55.100 55.235 -0.135 RESID 167 (A): CB 17.860 17.860 18.173 -0.313 RESID 167 (A): H 7.642 7.642 8.707 -1.065 RESID 168 (E): N 120.100 120.100 118.603 1.497 RESID 168 (E): C 179.600 179.600 179.127 0.473 RESID 168 (E): CA 59.610 59.610 59.618 -0.008 RESID 168 (E): CB 29.790 29.790 29.338 0.452 RESID 168 (E): H 8.230 8.230 7.931 0.299 RESID 170 (I): C 177.700 177.700 177.707 -0.007 RESID 170 (I): CA 66.880 66.880 65.301 1.579 RESID 170 (I): CB 39.310 39.310 37.953 1.357 RESID 171 (A): N 120.700 120.700 123.190 -2.490 RESID 171 (A): C 181.200 181.200 179.842 1.358 RESID 171 (A): CA 55.290 55.290 55.630 -0.340 RESID 171 (A): CB 18.260 18.260 18.115 0.145 RESID 171 (A): H 8.000 8.000 8.769 -0.769 RESID 172 (Q): N 120.600 120.600 118.051 2.549 RESID 172 (Q): C 179.200 179.200 178.580 0.620 RESID 172 (Q): CA 59.210 59.210 58.507 0.703 RESID 172 (Q): CB 28.340 28.340 28.600 -0.260 RESID 172 (Q): H 8.585 8.585 7.958 0.627 RESID 173 (F): N 122.500 122.500 122.599 -0.099 RESID 173 (F): C 176.400 176.400 177.405 -1.005 RESID 173 (F): CA 62.710 62.710 61.102 1.608 RESID 173 (F): CB 39.490 39.490 39.124 0.366 RESID 173 (F): H 8.457 8.457 8.798 -0.341 RESID 174 (D): N 121.000 121.000 120.098 0.902 RESID 174 (D): C 180.300 180.300 178.878 1.422 RESID 174 (D): CA 58.040 58.040 57.496 0.544 RESID 174 (D): CB 40.160 40.160 40.245 -0.085 RESID 174 (D): H 8.771 8.771 9.041 -0.270 RESID 175 (K): N 121.300 121.300 120.220 1.080 RESID 175 (K): C 179.800 179.800 178.630 1.170 RESID 175 (K): CA 59.630 59.630 59.637 -0.007 RESID 175 (K): CB 32.710 32.710 32.396 0.314 RESID 175 (K): H 8.125 8.125 8.111 0.014 RESID 176 (Q): N 121.600 121.600 119.501 2.099 RESID 176 (Q): C 179.100 179.100 178.336 0.764 RESID 176 (Q): CA 58.460 58.460 58.936 -0.476 RESID 176 (Q): CB 27.990 27.990 28.530 -0.540 RESID 176 (Q): H 8.164 8.164 7.821 0.343 RESID 177 (L): N 125.600 125.600 119.581 6.019 RESID 177 (L): C 178.400 178.400 178.658 -0.258 RESID 177 (L): CA 59.890 59.890 57.222 2.668 RESID 177 (L): CB 41.200 41.200 41.351 -0.151 RESID 177 (L): H 8.944 8.944 7.752 1.192 RESID 178 (A): N 121.500 121.500 122.594 -1.094 RESID 178 (A): C 180.600 180.600 179.223 1.377 RESID 178 (A): CA 55.390 55.390 55.200 0.190 RESID 178 (A): CB 17.970 17.970 17.867 0.103 RESID 178 (A): H 7.690 7.690 8.241 -0.551 RESID 179 (A): N 120.200 120.200 120.984 -0.784 RESID 179 (A): C 180.600 180.600 179.892 0.708 RESID 179 (A): CA 54.860 54.860 54.527 0.333 RESID 179 (A): CB 18.190 18.190 18.591 -0.401 RESID 179 (A): H 7.706 7.706 7.640 0.066 RESID 180 (A): N 121.800 121.800 121.840 -0.040 RESID 180 (A): C 179.200 179.200 179.109 0.091 RESID 180 (A): CA 55.490 55.490 54.745 0.745 RESID 180 (A): CB 17.920 17.920 18.181 -0.261 RESID 180 (A): H 8.171 8.171 7.981 0.190 RESID 181 (K): N 118.100 118.100 117.975 0.125 RESID 181 (K): C 178.000 178.000 178.107 -0.107 RESID 181 (K): CA 59.830 59.830 59.200 0.630 RESID 181 (K): CB 33.340 33.340 32.647 0.693 RESID 181 (K): H 8.342 8.342 8.350 -0.008 RESID 182 (E): N 114.400 114.400 116.571 -2.171 RESID 182 (E): C 177.300 177.300 177.441 -0.141 RESID 182 (E): CA 57.870 57.870 57.116 0.754 RESID 182 (E): CB 30.320 30.320 29.255 1.065 RESID 182 (E): H 7.153 7.153 7.760 -0.607 RESID 183 (Q): N 116.700 116.700 117.411 -0.711 RESID 183 (Q): C 177.200 177.200 176.185 1.015 RESID 183 (Q): CA 57.060 57.060 56.850 0.210 RESID 183 (Q): CB 31.550 31.550 31.100 0.450 RESID 183 (Q): H 7.458 7.458 7.630 -0.172 RESID 184 (I): N 117.800 117.800 115.835 1.965 RESID 184 (I): C 175.200 175.200 174.248 0.952 RESID 184 (I): CA 63.000 63.000 59.751 3.249 RESID 184 (I): CB 40.300 40.300 39.960 0.340 RESID 184 (I): H 7.723 7.723 7.426 0.297 RESID 185 (K): N 127.700 127.700 122.711 4.989 RESID 185 (K): C 175.600 175.600 175.323 0.277 RESID 185 (K): CA 54.550 54.550 55.039 -0.489 RESID 185 (K): CB 31.600 31.600 34.384 -2.784 RESID 185 (K): H 8.743 8.743 7.937 0.806 RESID 186 (L): N 124.700 124.700 125.359 -0.659 RESID 186 (L): C 175.700 175.700 175.821 -0.121 RESID 186 (L): CA 54.240 54.240 52.156 2.084 RESID 186 (L): CB 41.050 41.050 40.775 0.275 RESID 186 (L): H 8.051 8.051 8.570 -0.519 RESID 188 (P): C 174.800 174.800 176.248 -1.448 RESID 188 (P): CA 65.060 65.060 63.618 1.442 RESID 188 (P): CB 32.670 32.670 31.695 0.975 RESID 189 (Q): N 121.300 121.300 121.001 0.299 RESID 189 (Q): C 174.800 174.800 172.924 1.876 RESID 189 (Q): CA 52.330 52.330 54.720 -2.390 RESID 189 (Q): CB 31.350 31.350 30.387 0.963 RESID 189 (Q): H 8.061 8.061 8.223 -0.162 RESID 190 (P): C 175.500 175.500 175.550 -0.050 RESID 190 (P): CA 62.820 62.820 62.473 0.347 RESID 190 (P): CB 35.450 35.450 32.810 2.640 RESID 191 (V): N 112.600 112.600 121.702 -9.102 RESID 191 (V): C 174.300 174.300 173.970 0.330 RESID 191 (V): CA 59.740 59.740 59.523 0.217 RESID 191 (V): CB 35.030 35.030 34.695 0.335 RESID 191 (V): H 9.214 9.214 8.505 0.709 RESID 192 (T): N 120.700 120.700 113.391 7.309 RESID 192 (T): C 172.300 172.300 172.089 0.211 RESID 192 (T): CA 63.030 63.030 59.517 3.513 RESID 192 (T): CB 71.550 71.550 71.261 0.289 RESID 192 (T): H 8.462 8.462 8.326 0.136 RESID 193 (A): N 132.900 132.900 123.024 9.876 RESID 193 (A): C 175.400 175.400 175.404 -0.004 RESID 193 (A): CA 50.570 50.570 51.123 -0.553 RESID 193 (A): CB 21.140 21.140 21.430 -0.290 RESID 193 (A): H 10.170 10.170 8.562 1.608 RESID 194 (I): N 115.400 115.400 117.415 -2.015 RESID 194 (I): C 176.600 176.600 173.676 2.924 RESID 194 (I): CA 59.540 59.540 60.003 -0.463 RESID 194 (I): CB 43.930 43.930 42.149 1.781 RESID 194 (I): H 9.269 9.269 8.536 0.733 RESID 195 (V): N 118.500 118.500 122.543 -4.043 RESID 195 (V): C 176.200 176.200 174.073 2.127 RESID 195 (V): CA 63.190 63.190 61.364 1.826 RESID 195 (V): CB 34.870 34.870 34.761 0.109 RESID 195 (V): H 8.484 8.484 8.699 -0.215 RESID 196 (Y): N 132.200 132.200 129.435 2.765 RESID 196 (Y): C 174.700 174.700 174.136 0.564 RESID 196 (Y): CA 57.000 57.000 57.434 -0.434 RESID 196 (Y): CB 41.250 41.250 40.209 1.042 RESID 196 (Y): H 9.989 9.989 8.976 1.013 RESID 197 (T): N 124.900 124.900 123.333 1.567 RESID 197 (T): C 174.300 174.300 173.379 0.921 RESID 197 (T): CA 60.740 60.740 60.627 0.113 RESID 197 (T): CB 68.560 68.560 71.656 -3.096 RESID 197 (T): H 8.262 8.262 7.820 0.442 RESID 198 (A): N 130.500 130.500 130.771 -0.271 RESID 198 (A): C 180.400 180.400 179.176 1.224 RESID 198 (A): CA 55.510 55.510 54.331 1.179 RESID 198 (A): CB 18.480 18.480 18.395 0.085 RESID 198 (A): H 8.524 8.524 8.846 -0.322 RESID 199 (A): N 118.700 118.700 123.471 -4.771 RESID 199 (A): C 177.700 177.700 178.729 -1.029 RESID 199 (A): CA 54.350 54.350 54.846 -0.496 RESID 199 (A): CB 18.350 18.350 17.966 0.384 RESID 199 (A): H 8.578 8.578 8.276 0.302 RESID 200 (A): N 116.700 116.700 120.529 -3.829 RESID 200 (A): C 176.600 176.600 177.250 -0.650 RESID 200 (A): CA 51.290 51.290 52.094 -0.804 RESID 200 (A): CB 20.180 20.180 18.858 1.322 RESID 200 (A): H 6.638 6.638 8.094 -1.456 RESID 201 (H): N 116.900 116.900 116.447 0.453 RESID 201 (H): C 172.900 172.900 173.398 -0.498 RESID 201 (H): CA 56.710 56.710 56.326 0.384 RESID 201 (H): CB 27.820 27.820 28.251 -0.431 RESID 201 (H): H 7.569 7.569 7.765 -0.196 RESID 202 (S): N 110.500 110.500 114.372 -3.872 RESID 202 (S): C 171.500 171.500 171.462 0.038 RESID 202 (S): CA 56.530 56.530 57.610 -1.080 RESID 202 (S): CB 66.170 66.170 66.311 -0.141 RESID 202 (S): H 7.109 7.109 7.774 -0.665 RESID 203 (A): N 120.900 120.900 123.842 -2.942 RESID 203 (A): C 174.900 174.900 175.287 -0.387 RESID 203 (A): CA 50.890 50.890 51.410 -0.520 RESID 203 (A): CB 24.510 24.510 22.162 2.349 RESID 203 (A): H 8.618 8.618 8.316 0.302 RESID 204 (N): N 118.900 118.900 118.923 -0.023 RESID 204 (N): C 173.300 173.300 173.459 -0.159 RESID 204 (N): CA 51.520 51.520 52.068 -0.548 RESID 204 (N): CB 40.080 40.080 42.145 -2.066 RESID 204 (N): H 8.333 8.333 8.234 0.099 RESID 205 (L): N 127.200 127.200 121.695 5.505 RESID 205 (L): C 175.700 175.700 175.556 0.144 RESID 205 (L): CA 54.920 54.920 54.048 0.872 RESID 205 (L): CB 44.180 44.180 42.639 1.541 RESID 205 (L): H 9.265 9.265 7.648 1.617 RESID 206 (W): N 125.300 125.300 123.581 1.719 RESID 206 (W): C 177.100 177.100 176.467 0.633 RESID 206 (W): CA 56.630 56.630 57.377 -0.747 RESID 206 (W): CB 29.690 29.690 30.836 -1.146 RESID 206 (W): H 8.560 8.560 7.932 0.628 RESID 207 (T): N 112.000 112.000 110.193 1.807 RESID 207 (T): C 176.100 176.100 173.284 2.816 RESID 207 (T): CA 60.120 60.120 59.239 0.881 RESID 207 (T): CB 68.540 68.540 70.393 -1.853 RESID 207 (T): H 8.029 8.029 8.136 -0.107 RESID 208 (P): C 176.000 176.000 176.857 -0.857 RESID 208 (P): CA 66.120 66.120 65.417 0.703 RESID 208 (P): CB 31.950 31.950 32.163 -0.213 RESID 209 (E): N 112.300 112.300 115.008 -2.708 RESID 209 (E): C 177.100 177.100 176.803 0.297 RESID 209 (E): CA 57.280 57.280 57.202 0.078 RESID 209 (E): CB 29.760 29.760 30.152 -0.392 RESID 209 (E): H 7.612 7.612 7.970 -0.358 RESID 210 (S): N 115.800 115.800 115.056 0.744 RESID 210 (S): C 173.900 173.900 175.546 -1.646 RESID 210 (S): CA 58.060 58.060 59.197 -1.137 RESID 210 (S): CB 67.320 67.320 64.461 2.859 RESID 210 (S): H 7.654 7.654 7.447 0.207 RESID 211 (A): N 125.200 125.200 127.326 -2.126 RESID 211 (A): C 180.600 180.600 179.844 0.756 RESID 211 (A): CA 55.410 55.410 55.321 0.089 RESID 211 (A): CB 18.530 18.530 18.759 -0.229 RESID 211 (A): H 8.874 8.874 9.004 -0.130 RESID 212 (Q): N 119.200 119.200 118.632 0.568 RESID 212 (Q): C 177.100 177.100 178.017 -0.917 RESID 212 (Q): CA 61.410 61.410 58.967 2.443 RESID 212 (Q): CB 27.090 27.090 27.410 -0.320 RESID 212 (Q): H 8.493 8.493 8.476 0.017 RESID 213 (G): N 107.500 107.500 107.665 -0.165 RESID 213 (G): C 175.400 175.400 176.315 -0.915 RESID 213 (G): CA 47.520 47.520 46.827 0.693 RESID 213 (G): H 8.053 8.053 8.305 -0.252 RESID 214 (Q): N 120.700 120.700 121.510 -0.810 RESID 214 (Q): C 179.000 179.000 178.397 0.603 RESID 214 (Q): CA 59.150 59.150 58.871 0.279 RESID 214 (Q): CB 29.110 29.110 28.693 0.417 RESID 214 (Q): H 8.501 8.501 8.086 0.415 RESID 215 (M): N 119.200 119.200 120.609 -1.409 RESID 215 (M): C 177.800 177.800 178.182 -0.382 RESID 215 (M): CA 59.760 59.760 59.650 0.110 RESID 215 (M): CB 32.050 32.050 32.851 -0.801 RESID 215 (M): H 7.878 7.878 8.191 -0.313 RESID 216 (L): N 115.800 115.800 118.813 -3.013 RESID 216 (L): C 179.900 179.900 179.031 0.869 RESID 216 (L): CA 58.160 58.160 57.655 0.505 RESID 216 (L): CB 40.010 40.010 41.458 -1.448 RESID 216 (L): H 7.517 7.517 7.997 -0.480 RESID 217 (E): N 121.000 121.000 119.659 1.341 RESID 217 (E): C 182.200 182.200 179.235 2.965 RESID 217 (E): CA 60.210 60.210 58.918 1.292 RESID 217 (E): CB 29.150 29.150 29.423 -0.273 RESID 217 (E): H 8.377 8.377 8.192 0.185 RESID 218 (Q): N 122.300 122.300 117.147 5.153 RESID 218 (Q): C 178.100 178.100 178.886 -0.786 RESID 218 (Q): CA 59.220 59.220 58.279 0.941 RESID 218 (Q): CB 28.850 28.850 29.119 -0.269 RESID 218 (Q): H 8.464 8.464 7.923 0.541 RESID 219 (L): N 118.400 118.400 117.835 0.565 RESID 219 (L): C 175.200 175.200 177.446 -2.246 RESID 219 (L): CA 55.880 55.880 57.284 -1.404 RESID 219 (L): CB 44.330 44.330 42.876 1.454 RESID 219 (L): H 7.433 7.433 7.780 -0.347 RESID 220 (G): N 104.600 104.600 102.670 1.930 RESID 220 (G): C 174.700 174.700 172.920 1.780 RESID 220 (G): CA 44.750 44.750 44.694 0.056 RESID 220 (G): H 7.777 7.777 8.160 -0.383 RESID 221 (F): N 119.100 119.100 118.999 0.101 RESID 221 (F): C 175.200 175.200 174.358 0.842 RESID 221 (F): CA 57.900 57.900 55.973 1.927 RESID 221 (F): CB 38.930 38.930 42.779 -3.849 RESID 221 (F): H 8.001 8.001 7.781 0.220 RESID 222 (T): N 117.600 117.600 116.029 1.571 RESID 222 (T): C 173.900 173.900 173.369 0.531 RESID 222 (T): CA 61.790 61.790 61.253 0.537 RESID 222 (T): CB 71.360 71.360 69.736 1.624 RESID 222 (T): H 8.961 8.961 8.567 0.394 RESID 223 (L): N 128.300 128.300 127.112 1.188 RESID 223 (L): C 178.300 178.300 176.636 1.664 RESID 223 (L): CA 54.760 54.760 53.401 1.359 RESID 223 (L): CB 41.600 41.600 42.767 -1.167 RESID 223 (L): H 9.269 9.269 8.201 1.068 RESID 224 (A): N 126.800 126.800 128.083 -1.283 RESID 224 (A): C 177.400 177.400 175.868 1.532 RESID 224 (A): CA 52.460 52.460 50.999 1.461 RESID 224 (A): CB 18.650 18.650 20.812 -2.162 RESID 224 (A): H 9.077 9.077 8.118 0.959 RESID 225 (K): N 123.400 123.400 121.188 2.212 RESID 225 (K): C 176.800 176.800 176.187 0.613 RESID 225 (K): CA 55.600 55.600 55.578 0.022 RESID 225 (K): CB 33.080 33.080 32.894 0.186 RESID 225 (K): H 8.601 8.601 8.365 0.236 RESID 226 (L): N 126.200 126.200 128.013 -1.813 RESID 226 (L): C 175.500 175.500 175.605 -0.105 RESID 226 (L): CA 53.420 53.420 53.954 -0.534 RESID 226 (L): CB 41.720 41.720 41.244 0.476 RESID 226 (L): H 8.634 8.634 8.519 0.115 RESID 227 (P): C 176.800 176.800 177.089 -0.289 RESID 227 (P): CA 62.860 62.860 62.890 -0.030 RESID 227 (P): CB 32.360 32.360 32.186 0.174 RESID 228 (A): N 124.900 124.900 124.859 0.041 RESID 228 (A): C 179.500 179.500 178.510 0.990 RESID 228 (A): CA 54.120 54.120 53.441 0.679 RESID 228 (A): CB 18.710 18.710 18.698 0.012 RESID 228 (A): H 8.412 8.412 8.516 -0.104 RESID 229 (G): N 107.700 107.700 107.497 0.203 RESID 229 (G): C 175.000 175.000 175.908 -0.908 RESID 229 (G): CA 46.040 46.040 45.401 0.639 RESID 229 (G): H 8.565 8.565 8.104 0.461 RESID 230 (L): N 121.100 121.100 122.109 -1.009 RESID 230 (L): C 176.900 176.900 178.416 -1.516 RESID 230 (L): CA 55.620 55.620 55.458 0.162 RESID 230 (L): CB 42.630 42.630 41.698 0.932 RESID 230 (L): H 7.454 7.454 7.847 -0.393 RESID 231 (N): N 119.400 119.400 119.742 -0.342 RESID 231 (N): C 175.300 175.300 175.910 -0.610 RESID 231 (N): CA 53.650 53.650 56.098 -2.448 RESID 231 (N): CB 38.940 38.940 38.070 0.870 RESID 231 (N): H 8.211 8.211 7.979 0.232 RESID 232 (A): N 124.500 124.500 118.025 6.475 RESID 232 (A): C 178.100 178.100 177.625 0.475 RESID 232 (A): CA 53.110 53.110 51.549 1.561 RESID 232 (A): CB 19.340 19.340 18.048 1.292 RESID 232 (A): H 8.103 8.103 7.846 0.257 RESID 233 (S): N 115.200 115.200 114.896 0.304 RESID 233 (S): C 175.100 175.100 175.535 -0.435 RESID 233 (S): CA 59.280 59.280 60.801 -1.521 RESID 233 (S): CB 64.280 64.280 63.438 0.842 RESID 233 (S): H 8.169 8.169 8.369 -0.200 RESID 234 (Q): N 122.100 122.100 120.464 1.636 RESID 234 (Q): C 176.400 176.400 175.595 0.805 RESID 234 (Q): CA 56.240 56.240 55.981 0.259 RESID 234 (Q): CB 29.490 29.490 30.842 -1.352 RESID 234 (Q): H 8.230 8.230 7.730 0.500 RESID 235 (S): N 117.100 117.100 118.224 -1.124 RESID 235 (S): C 174.900 174.900 174.799 0.101 RESID 235 (S): CA 58.910 58.910 59.051 -0.141 RESID 235 (S): CB 64.510 64.510 62.867 1.643 RESID 235 (S): H 8.229 8.229 8.448 -0.219 RESID 236 (Q): N 122.300 122.300 126.204 -3.904 RESID 236 (Q): C 176.700 176.700 175.561 1.139 RESID 236 (Q): CA 56.610 56.610 55.604 1.006 RESID 236 (Q): CB 29.280 29.280 27.618 1.662 RESID 236 (Q): H 8.372 8.372 8.849 -0.477 RESID 237 (G): N 110.400 110.400 108.960 1.440 RESID 237 (G): C 174.100 174.100 172.983 1.117 RESID 237 (G): CA 45.720 45.720 45.417 0.303 RESID 237 (G): H 8.381 8.381 7.582 0.799 RESID 238 (K): N 120.500 120.500 121.351 -0.851 RESID 238 (K): C 176.600 176.600 175.448 1.152 RESID 238 (K): CA 56.490 56.490 56.147 0.343 RESID 238 (K): CB 33.320 33.320 32.947 0.373 RESID 238 (K): H 7.968 7.968 8.373 -0.405 RESID 239 (R): N 120.900 120.900 125.033 -4.133 RESID 239 (R): CA 56.130 56.130 55.936 0.194 RESID 239 (R): CB 31.560 31.560 30.942 0.618 RESID 239 (R): H 8.159 8.159 8.520 -0.361 RESID 240 (H): C 174.800 174.800 176.368 -1.568 RESID 240 (H): CA 55.740 55.740 58.986 -3.246 RESID 240 (H): CB 29.760 29.760 30.273 -0.513 RESID 241 (D): N 119.800 119.800 119.016 0.784 RESID 241 (D): C 174.700 174.700 176.774 -2.074 RESID 241 (D): CA 55.500 55.500 56.338 -0.838 RESID 241 (D): CB 40.550 40.550 41.398 -0.848 RESID 241 (D): H 9.052 9.052 8.427 0.625 RESID 242 (I): N 115.200 115.200 114.926 0.274 RESID 242 (I): C 175.600 175.600 174.475 1.125 RESID 242 (I): CA 59.090 59.090 59.046 0.044 RESID 242 (I): CB 43.670 43.670 41.047 2.623 RESID 242 (I): H 7.087 7.087 7.424 -0.337 RESID 243 (I): N 125.100 125.100 126.660 -1.560 RESID 243 (I): C 175.300 175.300 174.249 1.051 RESID 243 (I): CA 60.340 60.340 60.595 -0.255 RESID 243 (I): CB 41.290 41.290 38.491 2.799 RESID 243 (I): H 8.746 8.746 8.388 0.358 RESID 244 (Q): N 128.400 128.400 127.491 0.909 RESID 244 (Q): C 175.300 175.300 174.245 1.055 RESID 244 (Q): CA 56.460 56.460 54.895 1.565 RESID 244 (Q): CB 29.800 29.800 29.890 -0.090 RESID 244 (Q): H 8.768 8.768 8.604 0.164 RESID 245 (L): N 125.500 125.500 123.494 2.006 RESID 245 (L): C 176.200 176.200 176.195 0.005 RESID 245 (L): CA 53.790 53.790 53.075 0.715 RESID 245 (L): CB 45.100 45.100 44.834 0.266 RESID 245 (L): H 8.640 8.640 8.370 0.270 RESID 246 (G): N 109.700 109.700 104.505 5.195 RESID 246 (G): C 174.200 174.200 174.282 -0.082 RESID 246 (G): CA 44.590 44.590 45.102 -0.512 RESID 246 (G): H 8.424 8.424 8.415 0.009 RESID 247 (G): N 108.500 108.500 108.683 -0.183 RESID 247 (G): C 176.800 176.800 174.975 1.825 RESID 247 (G): CA 47.500 47.500 44.329 3.171 RESID 247 (G): H 8.666 8.666 7.746 0.920 RESID 248 (E): N 123.700 123.700 121.438 2.262 RESID 248 (E): C 177.300 177.300 176.487 0.813 RESID 248 (E): CA 58.560 58.560 57.512 1.048 RESID 248 (E): CB 29.330 29.330 29.035 0.295 RESID 248 (E): H 9.265 9.265 8.839 0.426 RESID 249 (N): N 116.700 116.700 116.951 -0.251 RESID 249 (N): C 175.500 175.500 176.068 -0.568 RESID 249 (N): CA 53.490 53.490 53.464 0.026 RESID 249 (N): CB 39.390 39.390 38.930 0.460 RESID 249 (N): H 7.963 7.963 8.240 -0.277 RESID 250 (L): N 121.100 121.100 119.960 1.140 RESID 250 (L): C 177.100 177.100 178.079 -0.979 RESID 250 (L): CA 58.810 58.810 57.054 1.756 RESID 250 (L): CB 42.220 42.220 41.489 0.731 RESID 250 (L): H 7.104 7.104 7.796 -0.692 RESID 251 (A): N 117.400 117.400 122.359 -4.959 RESID 251 (A): C 179.500 179.500 178.178 1.322 RESID 251 (A): CA 55.340 55.340 54.640 0.700 RESID 251 (A): CB 17.960 17.960 18.390 -0.430 RESID 251 (A): H 8.141 8.141 8.311 -0.170 RESID 252 (A): N 117.400 117.400 118.713 -1.313 RESID 252 (A): C 179.100 179.100 178.332 0.768 RESID 252 (A): CA 53.990 53.990 52.422 1.568 RESID 252 (A): CB 18.970 18.970 18.987 -0.017 RESID 252 (A): H 7.375 7.375 8.418 -1.043 RESID 253 (G): N 100.600 100.600 107.907 -7.307 RESID 253 (G): C 172.700 172.700 174.824 -2.124 RESID 253 (G): CA 45.380 45.380 45.022 0.358 RESID 253 (G): H 7.589 7.589 7.574 0.015 RESID 254 (L): N 124.800 124.800 122.802 1.998 RESID 254 (L): C 175.300 175.300 177.583 -2.283 RESID 254 (L): CA 53.020 53.020 54.858 -1.838 RESID 254 (L): CB 39.090 39.090 42.119 -3.029 RESID 254 (L): H 7.202 7.202 7.790 -0.588 RESID 255 (N): N 113.800 113.800 121.412 -7.612 RESID 255 (N): C 176.600 176.600 176.262 0.338 RESID 255 (N): CA 53.420 53.420 53.970 -0.550 RESID 255 (N): CB 37.600 37.600 38.812 -1.212 RESID 255 (N): H 7.701 7.701 8.843 -1.142 RESID 256 (G): N 109.100 109.100 106.635 2.465 RESID 256 (G): C 172.200 172.200 174.593 -2.393 RESID 256 (G): CA 45.790 45.790 45.332 0.458 RESID 256 (G): H 7.856 7.856 8.553 -0.698 RESID 257 (E): N 120.100 120.100 118.105 1.995 RESID 257 (E): C 176.900 176.900 175.186 1.714 RESID 257 (E): CA 57.880 57.880 56.605 1.275 RESID 257 (E): CB 29.760 29.760 30.417 -0.657 RESID 257 (E): H 8.443 8.443 8.629 -0.186 RESID 258 (S): N 107.500 107.500 113.881 -6.381 RESID 258 (S): C 172.500 172.500 172.569 -0.069 RESID 258 (S): CA 58.010 58.010 58.798 -0.788 RESID 258 (S): CB 66.360 66.360 63.459 2.901 RESID 258 (S): H 7.176 7.176 7.989 -0.813 RESID 259 (L): N 124.900 124.900 127.790 -2.890 RESID 259 (L): C 173.900 173.900 176.351 -2.451 RESID 259 (L): CA 53.630 53.630 54.488 -0.858 RESID 259 (L): CB 46.240 46.240 42.349 3.891 RESID 259 (L): H 8.969 8.969 8.015 0.954 RESID 260 (F): N 123.700 123.700 123.024 0.676 RESID 260 (F): C 174.200 174.200 176.047 -1.847 RESID 260 (F): CA 56.460 56.460 54.962 1.498 RESID 260 (F): CB 41.560 41.560 40.451 1.109 RESID 260 (F): H 9.295 9.295 8.149 1.146 RESID 261 (L): N 123.900 123.900 120.162 3.738 RESID 261 (L): C 177.600 177.600 177.095 0.505 RESID 261 (L): CA 54.010 54.010 53.201 0.809 RESID 261 (L): CB 41.470 41.470 45.488 -4.018 RESID 261 (L): H 9.034 9.034 8.200 0.834 RESID 262 (F): N 123.800 123.800 122.361 1.439 RESID 262 (F): C 175.500 175.500 175.657 -0.157 RESID 262 (F): CA 58.850 58.850 56.831 2.019 RESID 262 (F): CB 39.930 39.930 38.521 1.409 RESID 262 (F): H 9.338 9.338 9.088 0.250 RESID 263 (A): N 121.900 121.900 124.094 -2.194 RESID 263 (A): C 175.300 175.300 177.024 -1.724 RESID 263 (A): CA 53.630 53.630 52.684 0.946 RESID 263 (A): CB 19.700 19.700 16.819 2.881 RESID 263 (A): H 8.902 8.902 8.313 0.589 RESID 264 (G): N 104.500 104.500 111.563 -7.063 RESID 264 (G): C 171.100 171.100 172.729 -1.629 RESID 264 (G): CA 45.540 45.540 45.049 0.491 RESID 264 (G): H 6.746 6.746 7.871 -1.125 RESID 265 (D): N 122.300 122.300 122.673 -0.373 RESID 265 (D): C 177.300 177.300 177.268 0.032 RESID 265 (D): CA 51.660 51.660 52.770 -1.110 RESID 265 (D): CB 42.840 42.840 42.258 0.582 RESID 265 (D): H 9.052 9.052 8.121 0.931 RESID 266 (Q): N 118.400 118.400 119.599 -1.199 RESID 266 (Q): C 177.600 177.600 177.455 0.145 RESID 266 (Q): CA 58.620 58.620 59.068 -0.448 RESID 266 (Q): CB 28.490 28.490 28.648 -0.158 RESID 266 (Q): H 8.277 8.277 8.603 -0.326 RESID 267 (K): N 117.700 117.700 118.765 -1.065 RESID 267 (K): C 180.400 180.400 178.083 2.317 RESID 267 (K): CA 59.390 59.390 59.551 -0.161 RESID 267 (K): CB 31.440 31.440 31.784 -0.344 RESID 267 (K): H 7.879 7.879 7.923 -0.044 RESID 268 (D): N 121.600 121.600 119.661 1.939 RESID 268 (D): C 177.400 177.400 178.341 -0.941 RESID 268 (D): CA 57.980 57.980 56.976 1.004 RESID 268 (D): CB 41.550 41.550 40.251 1.299 RESID 268 (D): H 7.640 7.640 8.108 -0.468 RESID 269 (A): N 121.700 121.700 121.497 0.203 RESID 269 (A): C 179.000 179.000 178.421 0.579 RESID 269 (A): CA 55.640 55.640 54.919 0.721 RESID 269 (A): CB 17.490 17.490 18.196 -0.706 RESID 269 (A): H 7.370 7.370 7.626 -0.256 RESID 270 (D): N 118.200 118.200 118.009 0.191 RESID 270 (D): C 179.300 179.300 176.511 2.789 RESID 270 (D): CA 57.570 57.570 56.302 1.268 RESID 270 (D): CB 39.860 39.860 40.242 -0.382 RESID 270 (D): H 8.735 8.735 7.959 0.776 RESID 271 (A): N 122.900 122.900 119.903 2.997 RESID 271 (A): C 180.800 180.800 179.317 1.483 RESID 271 (A): CA 55.040 55.040 53.559 1.482 RESID 271 (A): CB 18.300 18.300 19.315 -1.015 RESID 271 (A): H 7.579 7.579 7.026 0.553 RESID 272 (I): N 0.000 0.000 120.442 -120.442 RESID 272 (I): C 178.300 178.300 176.956 1.344 RESID 272 (I): CA 63.880 63.880 64.654 -0.774 RESID 272 (I): CB 35.710 35.710 38.129 -2.418 RESID 272 (I): H 7.340 7.340 8.410 -1.070 RESID 273 (Y): N 116.300 116.300 116.965 -0.665 RESID 273 (Y): C 177.000 177.000 176.761 0.239 RESID 273 (Y): CA 61.100 61.100 58.270 2.830 RESID 273 (Y): CB 37.770 37.770 35.834 1.937 RESID 273 (Y): H 7.509 7.509 7.291 0.218 RESID 274 (A): N 118.600 118.600 121.840 -3.240 RESID 274 (A): C 177.200 177.200 177.178 0.022 RESID 274 (A): CA 52.030 52.030 52.999 -0.969 RESID 274 (A): CB 19.580 19.580 19.424 0.156 RESID 274 (A): H 7.495 7.495 7.835 -0.340 RESID 275 (N): N 119.900 119.900 118.244 1.656 RESID 275 (N): C 175.700 175.700 174.014 1.686 RESID 275 (N): CA 51.030 51.030 51.368 -0.339 RESID 275 (N): CB 38.590 38.590 37.030 1.560 RESID 275 (N): H 7.200 7.200 7.949 -0.749 RESID 276 (P): C 178.900 178.900 178.490 0.410 RESID 276 (P): CA 65.190 65.190 65.460 -0.270 RESID 276 (P): CB 32.440 32.440 32.041 0.399 RESID 277 (L): N 116.700 116.700 117.422 -0.722 RESID 277 (L): C 178.000 178.000 178.907 -0.907 RESID 277 (L): CA 56.630 56.630 57.547 -0.917 RESID 277 (L): CB 41.720 41.720 41.506 0.214 RESID 277 (L): H 7.777 7.777 7.925 -0.148 RESID 278 (L): N 115.100 115.100 116.573 -1.473 RESID 278 (L): C 176.600 176.600 177.862 -1.262 RESID 278 (L): CA 53.200 53.200 54.923 -1.724 RESID 278 (L): CB 40.960 40.960 41.290 -0.330 RESID 278 (L): H 7.485 7.485 7.678 -0.193 RESID 279 (A): N 118.600 118.600 123.099 -4.499 RESID 279 (A): C 177.700 177.700 177.804 -0.104 RESID 279 (A): CA 55.090 55.090 54.367 0.723 RESID 279 (A): CB 19.710 19.710 18.598 1.112 RESID 279 (A): H 6.665 6.665 7.899 -1.234 RESID 280 (H): N 111.600 111.600 115.277 -3.677 RESID 280 (H): C 175.500 175.500 175.210 0.290 RESID 280 (H): CA 55.360 55.360 56.257 -0.897 RESID 280 (H): CB 29.540 29.540 28.646 0.894 RESID 280 (H): H 8.337 8.337 8.198 0.139 RESID 281 (L): N 124.100 124.100 122.514 1.586 RESID 281 (L): C 176.300 176.300 175.869 0.431 RESID 281 (L): CA 53.330 53.330 52.964 0.366 RESID 281 (L): CB 40.490 40.490 41.937 -1.447 RESID 281 (L): H 7.289 7.289 7.445 -0.156 RESID 282 (P): C 178.200 178.200 178.383 -0.183 RESID 282 (P): CA 66.050 66.050 65.691 0.359 RESID 282 (P): CB 32.150 32.150 31.719 0.431 RESID 283 (A): N 116.000 116.000 119.200 -3.200 RESID 283 (A): C 179.000 179.000 179.839 -0.839 RESID 283 (A): CA 55.630 55.630 55.190 0.440 RESID 283 (A): CB 19.490 19.490 18.184 1.306 RESID 283 (A): H 7.969 7.969 8.424 -0.455 RESID 284 (V): N 115.200 115.200 118.487 -3.287 RESID 284 (V): C 180.000 180.000 178.927 1.073 RESID 284 (V): CA 65.640 65.640 65.885 -0.245 RESID 284 (V): CB 32.560 32.560 30.823 1.737 RESID 284 (V): H 6.557 6.557 7.679 -1.122 RESID 285 (Q): N 121.200 121.200 120.438 0.762 RESID 285 (Q): C 178.000 178.000 177.657 0.343 RESID 285 (Q): CA 59.500 59.500 58.796 0.704 RESID 285 (Q): CB 29.080 29.080 28.610 0.470 RESID 285 (Q): H 8.581 8.581 7.818 0.763 RESID 286 (N): N 112.600 112.600 113.993 -1.393 RESID 286 (N): C 174.500 174.500 173.861 0.639 RESID 286 (N): CA 53.160 53.160 52.729 0.431 RESID 286 (N): CB 38.390 38.390 38.738 -0.348 RESID 286 (N): H 8.117 8.117 8.049 0.068 RESID 287 (K): N 118.500 118.500 115.903 2.597 RESID 287 (K): C 176.100 176.100 176.220 -0.120 RESID 287 (K): CA 57.540 57.540 57.306 0.234 RESID 287 (K): CB 28.570 28.570 29.543 -0.973 RESID 287 (K): H 7.724 7.724 7.686 0.038 RESID 288 (Q): N 119.700 119.700 117.153 2.547 RESID 288 (Q): C 173.700 173.700 174.078 -0.378 RESID 288 (Q): CA 52.970 52.970 54.829 -1.859 RESID 288 (Q): CB 28.640 28.640 28.982 -0.342 RESID 288 (Q): H 8.895 8.895 8.424 0.471 RESID 289 (V): N 119.200 119.200 118.646 0.554 RESID 289 (V): C 175.100 175.100 175.160 -0.060 RESID 289 (V): CA 61.600 61.600 61.116 0.484 RESID 289 (V): CB 32.610 32.610 33.991 -1.381 RESID 289 (V): H 6.246 6.246 6.913 -0.667 RESID 290 (Y): N 125.700 125.700 124.715 0.985 RESID 290 (Y): C 174.100 174.100 174.389 -0.289 RESID 290 (Y): CA 56.830 56.830 56.627 0.203 RESID 290 (Y): CB 40.950 40.950 42.361 -1.411 RESID 290 (Y): H 8.682 8.682 9.073 -0.391 RESID 291 (A): N 126.900 126.900 122.068 4.832 RESID 291 (A): C 178.300 178.300 176.811 1.489 RESID 291 (A): CA 51.560 51.560 50.373 1.187 RESID 291 (A): CB 19.670 19.670 21.238 -1.568 RESID 291 (A): H 9.057 9.057 8.660 0.397 RESID 292 (L): N 120.800 120.800 119.919 0.881 RESID 292 (L): C 175.500 175.500 176.227 -0.727 RESID 292 (L): CA 54.880 54.880 54.270 0.610 RESID 292 (L): CB 42.490 42.490 42.263 0.227 RESID 292 (L): H 8.342 8.342 8.916 -0.574 RESID 293 (G): N 107.500 107.500 103.780 3.720 RESID 293 (G): C 177.600 177.600 174.097 3.503 RESID 293 (G): CA 45.110 45.110 44.436 0.674 RESID 293 (G): H 7.973 7.973 7.393 0.580 RESID 294 (T): N 117.800 117.800 116.732 1.068 RESID 294 (T): C 176.400 176.400 176.009 0.391 RESID 294 (T): CA 65.260 65.260 65.186 0.074 RESID 294 (T): CB 68.310 68.310 69.161 -0.851 RESID 294 (T): H 8.808 8.808 8.578 0.230 RESID 295 (E): N 122.100 122.100 120.643 1.457 RESID 295 (E): C 177.700 177.700 176.754 0.946 RESID 295 (E): CA 58.540 58.540 58.349 0.191 RESID 295 (E): CB 29.010 29.010 28.802 0.207 RESID 295 (E): H 10.380 10.380 8.780 1.600 RESID 296 (T): N 103.000 103.000 108.468 -5.468 RESID 296 (T): C 173.600 173.600 174.273 -0.673 RESID 296 (T): CA 62.320 62.320 61.439 0.881 RESID 296 (T): CB 69.170 69.170 67.775 1.395 RESID 296 (T): H 7.062 7.062 7.995 -0.933 RESID 297 (F): N 121.500 121.500 123.118 -1.618 RESID 297 (F): C 174.500 174.500 175.851 -1.351 RESID 297 (F): CA 61.700 61.700 61.047 0.653 RESID 297 (F): CB 39.640 39.640 39.778 -0.138 RESID 297 (F): H 8.108 8.108 7.812 0.296 RESID 298 (R): N 116.800 116.800 119.803 -3.003 RESID 298 (R): C 176.000 176.000 175.106 0.894 RESID 298 (R): CA 54.160 54.160 55.741 -1.581 RESID 298 (R): CB 32.460 32.460 31.087 1.373 RESID 298 (R): H 7.552 7.552 8.233 -0.681 RESID 299 (L): N 125.500 125.500 126.480 -0.980 RESID 299 (L): C 174.800 174.800 174.485 0.315 RESID 299 (L): CA 54.300 54.300 53.891 0.409 RESID 299 (L): CB 41.670 41.670 44.069 -2.399 RESID 299 (L): H 8.903 8.903 8.436 0.467 RESID 300 (D): N 124.600 124.600 124.385 0.215 RESID 300 (D): C 173.400 173.400 175.641 -2.241 RESID 300 (D): CA 51.880 51.880 53.244 -1.364 RESID 300 (D): CB 43.230 43.230 42.639 0.591 RESID 300 (D): H 7.735 7.735 8.768 -1.033 RESID 301 (Y): N 118.100 118.100 121.415 -3.315 RESID 301 (Y): C 175.300 175.300 176.159 -0.859 RESID 301 (Y): CA 61.650 61.650 63.296 -1.646 RESID 301 (Y): CB 38.740 38.740 38.698 0.042 RESID 301 (Y): H 7.943 7.943 9.001 -1.058 RESID 302 (Y): N 112.300 112.300 115.427 -3.127 RESID 302 (Y): C 180.800 180.800 177.617 3.183 RESID 302 (Y): CA 61.970 61.970 60.922 1.048 RESID 302 (Y): CB 37.990 37.990 37.996 -0.006 RESID 302 (Y): H 7.309 7.309 8.116 -0.807 RESID 303 (S): N 119.100 119.100 115.743 3.357 RESID 303 (S): C 176.300 176.300 176.499 -0.199 RESID 303 (S): CA 60.690 60.690 61.494 -0.804 RESID 303 (S): CB 63.180 63.180 62.623 0.557 RESID 303 (S): H 9.411 9.411 9.420 -0.009 RESID 304 (A): N 126.900 126.900 125.031 1.869 RESID 304 (A): C 180.400 180.400 179.379 1.021 RESID 304 (A): CA 56.000 56.000 55.264 0.737 RESID 304 (A): CB 18.040 18.040 17.838 0.202 RESID 304 (A): H 8.860 8.860 7.887 0.973 RESID 305 (M): N 116.600 116.600 117.984 -1.384 RESID 305 (M): C 179.300 179.300 178.818 0.482 RESID 305 (M): CA 57.880 57.880 59.531 -1.651 RESID 305 (M): CB 31.350 31.350 32.138 -0.788 RESID 305 (M): H 7.346 7.346 7.605 -0.259 RESID 306 (Q): N 119.300 119.300 118.809 0.491 RESID 306 (Q): C 179.000 179.000 178.838 0.162 RESID 306 (Q): CA 59.410 59.410 58.881 0.529 RESID 306 (Q): CB 28.450 28.450 28.821 -0.371 RESID 306 (Q): H 7.633 7.633 7.771 -0.138 RESID 308 (L): C 178.700 178.700 178.493 0.207 RESID 308 (L): CA 58.690 58.690 58.417 0.273 RESID 308 (L): CB 41.790 41.790 41.385 0.405 RESID 309 (D): N 119.100 119.100 119.063 0.037 RESID 309 (D): C 179.600 179.600 178.889 0.711 RESID 309 (D): CA 57.830 57.830 57.546 0.284 RESID 309 (D): CB 40.820 40.820 40.338 0.482 RESID 309 (D): H 7.984 7.984 8.034 -0.050 RESID 310 (R): N 121.700 121.700 120.612 1.088 RESID 310 (R): C 178.900 178.900 178.726 0.174 RESID 310 (R): CA 58.590 58.590 59.186 -0.596 RESID 310 (R): CB 29.820 29.820 30.149 -0.329 RESID 310 (R): H 8.463 8.463 7.601 0.862 RESID 311 (L): N 119.200 119.200 119.921 -0.721 RESID 311 (L): C 178.800 178.800 178.727 0.073 RESID 311 (L): CA 58.380 58.380 58.116 0.264 RESID 311 (L): CB 42.340 42.340 41.837 0.503 RESID 311 (L): H 8.489 8.489 8.319 0.170 RESID 312 (K): N 116.500 116.500 118.729 -2.229 RESID 312 (K): C 178.000 178.000 178.409 -0.409 RESID 312 (K): CA 59.250 59.250 59.177 0.073 RESID 312 (K): CB 32.440 32.440 32.489 -0.049 RESID 312 (K): H 7.955 7.955 8.154 -0.199 RESID 313 (A): N 119.500 119.500 120.859 -1.359 RESID 313 (A): C 180.000 180.000 178.635 1.365 RESID 313 (A): CA 53.920 53.920 53.312 0.608 RESID 313 (A): CB 18.800 18.800 19.248 -0.449 RESID 313 (A): H 7.427 7.427 7.728 -0.301 RESID 314 (L): N 119.500 119.500 119.153 0.347 RESID 314 (L): C 177.400 177.400 176.466 0.934 RESID 314 (L): CA 56.770 56.770 57.240 -0.470 RESID 314 (L): CB 43.730 43.730 42.357 1.373 RESID 314 (L): H 7.431 7.431 8.130 -0.699 N HA C CA CB H RESID 26 (W): -3.305 ----- -0.874 0.381 3.248 0.165 RESID 27 (P): ----- ----- -0.026 -0.292 4.928 ----- RESID 28 (R): -3.811 ----- -1.439 0.756 0.773 0.064 RESID 29 (Q): -0.871 ----- 0.576 -1.288 1.441 -0.095 RESID 30 (I): -1.781 ----- 0.628 -0.880 -0.530 1.058 RESID 31 (T): 3.258 ----- 0.716 -1.290 1.042 0.587 RESID 32 (D): 5.755 ----- 1.471 0.742 -0.632 1.435 RESID 33 (S): -4.410 ----- -0.448 0.458 -0.443 -0.198 RESID 34 (R): -2.543 ----- -0.816 -3.516 0.112 0.600 RESID 35 (G): 5.120 ----- -2.297 -0.510 ----- -0.777 RESID 36 (T): 0.432 ----- 0.965 0.069 -0.182 0.541 RESID 37 (H): 0.470 ----- 0.733 -1.344 -2.046 0.358 RESID 38 (T): 3.826 ----- 1.275 2.046 -1.258 1.423 RESID 39 (L): 7.158 ----- 0.036 0.514 -0.950 0.393 RESID 40 (E): -1.410 ----- -0.328 0.237 0.490 0.126 RESID 41 (S): -1.794 ----- -1.494 -0.867 0.588 -0.162 RESID 42 (Q): 3.281 ----- -0.140 -2.065 0.594 -1.278 RESID 43 (P): ----- ----- -0.313 0.714 0.097 ----- RESID 44 (Q): 2.602 ----- -0.619 -1.428 2.839 2.615 RESID 45 (R): 8.162 ----- 0.512 0.064 -0.027 2.442 RESID 47 (V): ----- ----- 0.360 -0.282 -0.230 ----- RESID 48 (S): -2.016 ----- 1.920 -1.901 -1.096 -0.640 RESID 49 (T): 4.080 ----- -2.969 0.933 -0.391 -0.357 RESID 50 (S): -0.280 ----- -0.634 -1.976 -0.178 -0.104 RESID 51 (V): 4.988 ----- -2.722 -0.187 -0.106 0.161 RESID 52 (T): 0.574 ----- 3.147 1.245 0.563 -0.172 RESID 53 (L): 1.089 ----- 0.321 -0.758 0.828 -0.539 RESID 54 (T): 1.783 ----- -1.741 -0.653 ----- -0.071 RESID 55 (G): -3.669 ----- -0.182 0.331 ----- -1.260 RESID 56 (S): -0.795 ----- -1.155 1.943 1.972 -1.253 RESID 58 (L): ----- ----- 1.785 -0.268 -0.099 ----- RESID 59 (A): -0.773 ----- -0.299 0.734 -0.332 -0.315 RESID 60 (I): ----- ----- -1.547 0.180 0.421 ----- RESID 61 (D): -2.455 ----- 0.228 0.059 -0.027 0.003 RESID 62 (A): -3.112 ----- 2.679 -0.850 -1.630 0.096 RESID 63 (P): ----- ----- -2.106 0.608 -4.702 ----- RESID 64 (V): 3.950 ----- -0.912 -1.440 -0.805 0.435 RESID 65 (I): -4.356 ----- 1.516 -3.033 1.269 0.161 RESID 66 (A): 4.248 ----- -0.098 0.652 1.485 -0.425 RESID 67 (S): -5.050 ----- 2.299 -2.077 -2.433 0.241 RESID 68 (G): 5.643 ----- -1.604 2.110 ----- -1.109 RESID 69 (A): -3.673 ----- 2.645 -1.167 1.997 -0.783 RESID 70 (T): 4.557 ----- -2.612 -3.062 1.516 0.967 RESID 71 (T): -2.328 ----- -0.652 0.320 2.380 -0.699 RESID 72 (P): ----- ----- 0.881 -0.390 0.744 ----- RESID 73 (N): -4.535 ----- -1.608 0.687 -1.472 -0.640 RESID 74 (N): ----- ----- -1.177 4.974 0.271 ----- RESID 75 (R): -6.363 ----- -0.139 1.082 1.063 -0.285 RESID 76 (V): -10.232 ----- 0.046 -2.926 2.021 -0.825 RESID 77 (A): 5.792 ----- -1.078 -1.054 5.123 0.704 RESID 78 (D): 1.678 ----- 2.187 -0.923 0.366 0.426 RESID 79 (D): 0.809 ----- 0.293 1.109 0.900 -0.147 RESID 80 (Q): -4.348 ----- -1.172 -1.482 2.426 -0.185 RESID 81 (G): -0.013 ----- 0.864 0.955 ----- -0.642 RESID 82 (F): 0.645 ----- -0.433 -4.246 -2.637 0.313 RESID 83 (L): ----- ----- 0.954 0.358 -3.482 ----- RESID 84 (R): 0.287 ----- 0.749 3.436 1.642 -0.687 RESID 85 (Q): -2.624 ----- -2.697 0.192 -3.155 1.861 RESID 86 (W): -6.365 ----- -1.864 -5.112 -2.150 -1.957 RESID 87 (S): 3.928 ----- 1.444 0.583 ----- -1.268 RESID 88 (K): -3.930 ----- 0.174 0.468 -0.095 0.972 RESID 89 (V): 6.329 ----- 0.799 0.075 0.510 -0.653 RESID 90 (A): -0.405 ----- 1.069 1.351 1.323 0.654 RESID 91 (K): -0.460 ----- 3.025 0.985 -0.010 -0.268 RESID 92 (E): 5.089 ----- 1.501 2.285 -0.684 0.468 RESID 93 (R): -3.134 ----- 0.340 0.787 -1.536 -0.280 RESID 94 (K): 1.749 ----- 0.671 -0.640 -1.409 -0.696 RESID 95 (L): -0.992 ----- 0.327 0.683 1.070 0.077 RESID 96 (Q): 0.540 ----- -0.921 0.685 0.313 -0.861 RESID 97 (R): 6.414 ----- 0.828 -1.110 1.522 0.493 RESID 98 (L): 2.353 ----- 0.012 2.301 3.512 -0.359 RESID 99 (Y): -2.010 ----- -1.376 -0.853 -0.997 -1.353 RESID 100 (I): -6.184 ----- -0.353 -1.814 3.565 0.105 RESID 101 (G): 0.885 ----- -0.709 2.207 ----- -0.258 RESID 102 (E): 10.920 ----- -0.786 0.470 2.024 0.286 RESID 103 (P): ----- ----- -0.836 -1.378 -0.090 ----- RESID 104 (S): -5.233 ----- 0.154 -3.164 -0.073 -2.557 RESID 105 (A): 0.259 ----- 0.346 0.750 -0.901 0.332 RESID 106 (E): 0.377 ----- 0.446 1.248 -0.473 0.137 RESID 107 (A): -0.503 ----- 0.363 -0.280 0.787 -0.134 RESID 108 (V): -1.971 ----- -0.806 0.961 -0.301 -0.500 RESID 109 (A): -1.422 ----- 1.837 0.620 -0.154 0.158 RESID 110 (A): -0.742 ----- 0.263 -0.251 -0.035 -0.310 RESID 111 (Q): -1.037 ----- -1.029 0.934 -0.205 -0.295 RESID 112 (M): -6.251 ----- 0.046 0.380 -1.452 -0.045 RESID 113 (P): ----- ----- 0.411 0.230 0.312 ----- RESID 114 (D): -2.128 ----- -0.018 -2.029 -2.033 0.628 RESID 115 (L): ----- ----- 0.610 -1.344 ----- ----- RESID 116 (I): -2.744 ----- ----- 0.156 ----- 1.319 RESID 118 (I): ----- ----- -1.050 0.479 1.192 ----- RESID 119 (S): -0.076 ----- 0.580 -0.621 0.694 1.007 RESID 120 (A): 1.580 ----- -0.464 -0.051 1.527 -0.555 RESID 121 (T): -3.699 ----- -0.390 -2.450 1.703 -0.326 RESID 122 (G): -7.121 ----- 3.023 -0.800 ----- 0.115 RESID 123 (G): ----- ----- -0.222 1.032 ----- ----- RESID 124 (D): -2.255 ----- 1.160 -0.590 0.076 0.889 RESID 125 (S): -4.020 ----- 1.726 0.083 0.114 -1.116 RESID 126 (A): 4.838 ----- -1.961 -2.352 -2.244 0.222 RESID 127 (L): 0.000 ----- 0.569 1.446 1.222 -0.791 RESID 128 (A): 3.481 ----- 0.778 0.849 -0.496 1.300 RESID 129 (L): 0.603 ----- -0.870 -1.301 -0.401 0.353 RESID 130 (Y): -0.829 ----- 0.371 1.448 1.041 -1.102 RESID 131 (D): 1.206 ----- -0.141 0.586 0.303 0.903 RESID 132 (Q): -1.097 ----- 0.195 0.315 0.553 -0.180 RESID 133 (L): -0.496 ----- -0.699 0.213 -0.808 -0.372 RESID 134 (S): -3.085 ----- -0.368 0.195 0.760 -0.333 RESID 135 (T): -4.912 ----- -1.309 -2.070 0.660 -0.602 RESID 136 (I): 3.921 ----- 0.205 -0.095 0.286 0.336 RESID 137 (A): 1.832 ----- -1.678 -0.104 -0.167 -0.445 RESID 138 (P): ----- ----- -1.498 1.077 0.056 ----- RESID 139 (T): 2.181 ----- -0.033 -1.546 1.841 -0.181 RESID 140 (L): ----- ----- 0.492 -0.712 0.420 ----- RESID 141 (I): -2.187 ----- 1.087 -0.824 0.723 1.345 RESID 142 (I): 2.274 ----- 0.486 -1.989 -2.519 0.000 RESID 143 (N): 4.912 ----- 0.723 -1.646 0.110 0.733 RESID 144 (Y): -6.262 ----- 1.609 -3.819 0.037 -0.078 RESID 145 (D): 0.907 ----- 1.822 -0.261 3.371 0.460 RESID 146 (D): 4.134 ----- -0.128 -0.426 -1.677 -0.994 RESID 147 (K): -5.686 ----- -0.260 -1.537 -1.868 -0.540 RESID 148 (S): -0.404 ----- -0.383 -0.023 0.685 0.202 RESID 149 (W): 1.853 ----- 2.104 1.314 -0.724 -0.130 RESID 150 (Q): 3.789 ----- 0.110 3.518 -1.121 1.564 RESID 151 (S): 1.100 ----- 0.586 0.598 0.723 0.055 RESID 152 (L): 2.565 ----- 0.560 0.388 0.290 0.040 RESID 153 (L): 0.602 ----- 1.050 1.430 -0.095 0.968 RESID 154 (T): 3.508 ----- 0.307 1.323 0.534 0.137 RESID 155 (Q): 3.517 ----- 1.222 1.380 0.271 0.313 RESID 156 (L): ----- ----- 1.644 0.631 -0.134 ----- RESID 157 (G): 5.803 ----- -0.547 1.796 ----- 1.227 RESID 158 (E): 4.888 ----- 0.667 1.314 0.321 0.022 RESID 160 (T): ----- ----- 2.313 -1.214 2.641 ----- RESID 161 (G): -0.285 ----- 0.440 1.257 ----- -0.881 RESID 162 (H): 4.879 ----- -2.168 -0.463 -2.985 0.667 RESID 163 (E): 1.733 ----- 2.323 1.410 -0.431 1.543 RESID 164 (K): 0.256 ----- -0.086 -0.447 0.307 0.403 RESID 165 (Q): 2.167 ----- 0.659 2.013 -0.260 -0.481 RESID 166 (A): -1.284 ----- -1.426 1.320 0.225 -0.186 RESID 167 (A): -3.026 ----- 1.886 -0.135 -0.313 -1.065 RESID 168 (E): 1.497 ----- 0.473 -0.008 0.452 0.299 RESID 170 (I): ----- ----- -0.007 1.579 1.357 ----- RESID 171 (A): -2.490 ----- 1.358 -0.340 0.145 -0.769 RESID 172 (Q): 2.549 ----- 0.620 0.703 -0.260 0.627 RESID 173 (F): -0.099 ----- -1.005 1.608 0.366 -0.341 RESID 174 (D): 0.902 ----- 1.422 0.544 -0.085 -0.270 RESID 175 (K): 1.080 ----- 1.170 -0.007 0.314 0.014 RESID 176 (Q): 2.099 ----- 0.764 -0.476 -0.540 0.343 RESID 177 (L): 6.019 ----- -0.258 2.668 -0.151 1.192 RESID 178 (A): -1.094 ----- 1.377 0.190 0.103 -0.551 RESID 179 (A): -0.784 ----- 0.708 0.333 -0.401 0.066 RESID 180 (A): -0.040 ----- 0.091 0.745 -0.261 0.190 RESID 181 (K): 0.125 ----- -0.107 0.630 0.693 -0.008 RESID 182 (E): -2.171 ----- -0.141 0.754 1.065 -0.607 RESID 183 (Q): -0.711 ----- 1.015 0.210 0.450 -0.172 RESID 184 (I): 1.965 ----- 0.952 3.249 0.340 0.297 RESID 185 (K): 4.989 ----- 0.277 -0.489 -2.784 0.806 RESID 186 (L): -0.659 ----- -0.121 2.084 0.275 -0.519 RESID 188 (P): ----- ----- -1.448 1.442 0.975 ----- RESID 189 (Q): 0.299 ----- 1.876 -2.390 0.963 -0.162 RESID 190 (P): ----- ----- -0.050 0.347 2.640 ----- RESID 191 (V): -9.102 ----- 0.330 0.217 0.335 0.709 RESID 192 (T): 7.309 ----- 0.211 3.513 0.289 0.136 RESID 193 (A): 9.876 ----- -0.004 -0.553 -0.290 1.608 RESID 194 (I): -2.015 ----- 2.924 -0.463 1.781 0.733 RESID 195 (V): -4.043 ----- 2.127 1.826 0.109 -0.215 RESID 196 (Y): 2.765 ----- 0.564 -0.434 1.042 1.013 RESID 197 (T): 1.567 ----- 0.921 0.113 -3.096 0.442 RESID 198 (A): -0.271 ----- 1.224 1.179 0.085 -0.322 RESID 199 (A): -4.771 ----- -1.029 -0.496 0.384 0.302 RESID 200 (A): -3.829 ----- -0.650 -0.804 1.322 -1.456 RESID 201 (H): 0.453 ----- -0.498 0.384 -0.431 -0.196 RESID 202 (S): -3.872 ----- 0.038 -1.080 -0.141 -0.665 RESID 203 (A): -2.942 ----- -0.387 -0.520 2.349 0.302 RESID 204 (N): -0.023 ----- -0.159 -0.548 -2.066 0.099 RESID 205 (L): 5.505 ----- 0.144 0.872 1.541 1.617 RESID 206 (W): 1.719 ----- 0.633 -0.747 -1.146 0.628 RESID 207 (T): 1.807 ----- 2.816 0.881 -1.853 -0.107 RESID 208 (P): ----- ----- -0.857 0.703 -0.213 ----- RESID 209 (E): -2.708 ----- 0.297 0.078 -0.392 -0.358 RESID 210 (S): 0.744 ----- -1.646 -1.137 2.859 0.207 RESID 211 (A): -2.126 ----- 0.756 0.089 -0.229 -0.130 RESID 212 (Q): 0.568 ----- -0.917 2.443 -0.320 0.017 RESID 213 (G): -0.165 ----- -0.915 0.693 ----- -0.252 RESID 214 (Q): -0.810 ----- 0.603 0.279 0.417 0.415 RESID 215 (M): -1.409 ----- -0.382 0.110 -0.801 -0.313 RESID 216 (L): -3.013 ----- 0.869 0.505 -1.448 -0.480 RESID 217 (E): 1.341 ----- 2.965 1.292 -0.273 0.185 RESID 218 (Q): 5.153 ----- -0.786 0.941 -0.269 0.541 RESID 219 (L): 0.565 ----- -2.246 -1.404 1.454 -0.347 RESID 220 (G): 1.930 ----- 1.780 0.056 ----- -0.383 RESID 221 (F): 0.101 ----- 0.842 1.927 -3.849 0.220 RESID 222 (T): 1.571 ----- 0.531 0.537 1.624 0.394 RESID 223 (L): 1.188 ----- 1.664 1.359 -1.167 1.068 RESID 224 (A): -1.283 ----- 1.532 1.461 -2.162 0.959 RESID 225 (K): 2.212 ----- 0.613 0.022 0.186 0.236 RESID 226 (L): -1.813 ----- -0.105 -0.534 0.476 0.115 RESID 227 (P): ----- ----- -0.289 -0.030 0.174 ----- RESID 228 (A): 0.041 ----- 0.990 0.679 0.012 -0.104 RESID 229 (G): 0.203 ----- -0.908 0.639 ----- 0.461 RESID 230 (L): -1.009 ----- -1.516 0.162 0.932 -0.393 RESID 231 (N): -0.342 ----- -0.610 -2.448 0.870 0.232 RESID 232 (A): 6.475 ----- 0.475 1.561 1.292 0.257 RESID 233 (S): 0.304 ----- -0.435 -1.521 0.842 -0.200 RESID 234 (Q): 1.636 ----- 0.805 0.259 -1.352 0.500 RESID 235 (S): -1.124 ----- 0.101 -0.141 1.643 -0.219 RESID 236 (Q): -3.904 ----- 1.139 1.006 1.662 -0.477 RESID 237 (G): 1.440 ----- 1.117 0.303 ----- 0.799 RESID 238 (K): -0.851 ----- 1.152 0.343 0.373 -0.405 RESID 239 (R): -4.133 ----- ----- 0.194 0.618 -0.361 RESID 240 (H): ----- ----- -1.568 -3.246 -0.513 ----- RESID 241 (D): 0.784 ----- -2.074 -0.838 -0.848 0.625 RESID 242 (I): 0.274 ----- 1.125 0.044 2.623 -0.337 RESID 243 (I): -1.560 ----- 1.051 -0.255 2.799 0.358 RESID 244 (Q): 0.909 ----- 1.055 1.565 -0.090 0.164 RESID 245 (L): 2.006 ----- 0.005 0.715 0.266 0.270 RESID 246 (G): 5.195 ----- -0.082 -0.512 ----- 0.009 RESID 247 (G): -0.183 ----- 1.825 3.171 ----- 0.920 RESID 248 (E): 2.262 ----- 0.813 1.048 0.295 0.426 RESID 249 (N): -0.251 ----- -0.568 0.026 0.460 -0.277 RESID 250 (L): 1.140 ----- -0.979 1.756 0.731 -0.692 RESID 251 (A): -4.959 ----- 1.322 0.700 -0.430 -0.170 RESID 252 (A): -1.313 ----- 0.768 1.568 -0.017 -1.043 RESID 253 (G): -7.307 ----- -2.124 0.358 ----- 0.015 RESID 254 (L): 1.998 ----- -2.283 -1.838 -3.029 -0.588 RESID 255 (N): -7.612 ----- 0.338 -0.550 -1.212 -1.142 RESID 256 (G): 2.465 ----- -2.393 0.458 ----- -0.698 RESID 257 (E): 1.995 ----- 1.714 1.275 -0.657 -0.186 RESID 258 (S): -6.381 ----- -0.069 -0.788 2.901 -0.813 RESID 259 (L): -2.890 ----- -2.451 -0.858 3.891 0.954 RESID 260 (F): 0.676 ----- -1.847 1.498 1.109 1.146 RESID 261 (L): 3.738 ----- 0.505 0.809 -4.018 0.834 RESID 262 (F): 1.439 ----- -0.157 2.019 1.409 0.250 RESID 263 (A): -2.194 ----- -1.724 0.946 2.881 0.589 RESID 264 (G): -7.063 ----- -1.629 0.491 ----- -1.125 RESID 265 (D): -0.373 ----- 0.032 -1.110 0.582 0.931 RESID 266 (Q): -1.199 ----- 0.145 -0.448 -0.158 -0.326 RESID 267 (K): -1.065 ----- 2.317 -0.161 -0.344 -0.044 RESID 268 (D): 1.939 ----- -0.941 1.004 1.299 -0.468 RESID 269 (A): 0.203 ----- 0.579 0.721 -0.706 -0.256 RESID 270 (D): 0.191 ----- 2.789 1.268 -0.382 0.776 RESID 271 (A): 2.997 ----- 1.483 1.482 -1.015 0.553 RESID 272 (I): -120.442 ----- 1.344 -0.774 -2.418 -1.070 RESID 273 (Y): -0.665 ----- 0.239 2.830 1.937 0.218 RESID 274 (A): -3.240 ----- 0.022 -0.969 0.156 -0.340 RESID 275 (N): 1.656 ----- 1.686 -0.339 1.560 -0.749 RESID 276 (P): ----- ----- 0.410 -0.270 0.399 ----- RESID 277 (L): -0.722 ----- -0.907 -0.917 0.214 -0.148 RESID 278 (L): -1.473 ----- -1.262 -1.724 -0.330 -0.193 RESID 279 (A): -4.499 ----- -0.104 0.723 1.112 -1.234 RESID 280 (H): -3.677 ----- 0.290 -0.897 0.894 0.139 RESID 281 (L): 1.586 ----- 0.431 0.366 -1.447 -0.156 RESID 282 (P): ----- ----- -0.183 0.359 0.431 ----- RESID 283 (A): -3.200 ----- -0.839 0.440 1.306 -0.455 RESID 284 (V): -3.287 ----- 1.073 -0.245 1.737 -1.122 RESID 285 (Q): 0.762 ----- 0.343 0.704 0.470 0.763 RESID 286 (N): -1.393 ----- 0.639 0.431 -0.348 0.068 RESID 287 (K): 2.597 ----- -0.120 0.234 -0.973 0.038 RESID 288 (Q): 2.547 ----- -0.378 -1.859 -0.342 0.471 RESID 289 (V): 0.554 ----- -0.060 0.484 -1.381 -0.667 RESID 290 (Y): 0.985 ----- -0.289 0.203 -1.411 -0.391 RESID 291 (A): 4.832 ----- 1.489 1.187 -1.568 0.397 RESID 292 (L): 0.881 ----- -0.727 0.610 0.227 -0.574 RESID 293 (G): 3.720 ----- 3.503 0.674 ----- 0.580 RESID 294 (T): 1.068 ----- 0.391 0.074 -0.851 0.230 RESID 295 (E): 1.457 ----- 0.946 0.191 0.207 1.600 RESID 296 (T): -5.468 ----- -0.673 0.881 1.395 -0.933 RESID 297 (F): -1.618 ----- -1.351 0.653 -0.138 0.296 RESID 298 (R): -3.003 ----- 0.894 -1.581 1.373 -0.681 RESID 299 (L): -0.980 ----- 0.315 0.409 -2.399 0.467 RESID 300 (D): 0.215 ----- -2.241 -1.364 0.591 -1.033 RESID 301 (Y): -3.315 ----- -0.859 -1.646 0.042 -1.058 RESID 302 (Y): -3.127 ----- 3.183 1.048 -0.006 -0.807 RESID 303 (S): 3.357 ----- -0.199 -0.804 0.557 -0.009 RESID 304 (A): 1.869 ----- 1.021 0.737 0.202 0.973 RESID 305 (M): -1.384 ----- 0.482 -1.651 -0.788 -0.259 RESID 306 (Q): 0.491 ----- 0.162 0.529 -0.371 -0.138 RESID 308 (L): ----- ----- 0.207 0.273 0.405 ----- RESID 309 (D): 0.037 ----- 0.711 0.284 0.482 -0.050 RESID 310 (R): 1.088 ----- 0.174 -0.596 -0.329 0.862 RESID 311 (L): -0.721 ----- 0.073 0.264 0.503 0.170 RESID 312 (K): -2.229 ----- -0.409 0.073 -0.049 -0.199 RESID 313 (A): -1.359 ----- 1.365 0.608 -0.449 -0.301 RESID 314 (L): 0.347 ----- 0.934 -0.470 1.373 -0.699 DATA CS_STAT_INFO N RMS: 8.223 ppm Count: 256 Average Difference: 0.456 +/- 8.227 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.228 ppm Count: 281 Average Difference: -0.165 +/- 1.219 ppm DATA CS_STAT_INFO CA RMS: 1.340 ppm Count: 283 Average Difference: -0.101 +/- 1.338 ppm DATA CS_STAT_INFO CB RMS: 1.430 ppm Count: 260 Average Difference: -0.158 +/- 1.424 ppm DATA CS_STAT_INFO HN RMS: 0.713 ppm Count: 256 Average Difference: -0.015 +/- 0.715 ppm ############################################################################ For conformer 14: Atom Original Corrected SPARTA Difference RESID 25 (D): N 120.600 120.600 120.652 -0.052 RESID 25 (D): C 174.400 174.400 175.899 -1.499 RESID 25 (D): CA 55.230 55.230 53.052 2.178 RESID 25 (D): CB 41.340 41.340 41.883 -0.543 RESID 25 (D): H 8.275 8.275 8.208 0.067 RESID 26 (W): N 120.100 120.100 123.566 -3.466 RESID 26 (W): C 174.200 174.200 175.077 -0.877 RESID 26 (W): CA 55.330 55.330 54.995 0.335 RESID 26 (W): CB 31.090 31.090 27.854 3.236 RESID 26 (W): H 7.788 7.788 7.535 0.253 RESID 27 (P): C 175.900 175.900 175.899 0.001 RESID 27 (P): CA 62.800 62.800 63.092 -0.291 RESID 27 (P): CB 37.260 37.260 32.316 4.944 RESID 28 (R): N 118.000 118.000 121.828 -3.828 RESID 28 (R): C 173.700 173.700 175.097 -1.397 RESID 28 (R): CA 55.160 55.160 54.430 0.730 RESID 28 (R): CB 33.430 33.430 32.670 0.760 RESID 28 (R): H 8.686 8.686 8.617 0.069 RESID 29 (Q): N 120.800 120.800 121.655 -0.855 RESID 29 (Q): C 175.500 175.500 174.911 0.589 RESID 29 (Q): CA 54.780 54.780 56.040 -1.260 RESID 29 (Q): CB 30.700 30.700 29.257 1.443 RESID 29 (Q): H 8.506 8.506 8.583 -0.077 RESID 30 (I): N 124.300 124.300 126.080 -1.780 RESID 30 (I): C 175.700 175.700 175.111 0.589 RESID 30 (I): CA 58.520 58.520 59.434 -0.915 RESID 30 (I): CB 40.680 40.680 41.189 -0.509 RESID 30 (I): H 9.002 9.002 7.921 1.081 RESID 31 (T): N 125.200 125.200 121.969 3.231 RESID 31 (T): C 174.400 174.400 173.667 0.733 RESID 31 (T): CA 62.150 62.150 63.446 -1.296 RESID 31 (T): CB 70.640 70.640 69.592 1.048 RESID 31 (T): H 8.989 8.989 8.398 0.591 RESID 32 (D): N 129.500 129.500 123.850 5.650 RESID 32 (D): C 177.400 177.400 176.063 1.337 RESID 32 (D): CA 52.630 52.630 51.817 0.813 RESID 32 (D): CB 42.950 42.950 43.422 -0.472 RESID 32 (D): H 9.389 9.389 7.986 1.403 RESID 33 (S): N 111.900 111.900 116.454 -4.554 RESID 33 (S): C 175.600 175.600 176.108 -0.508 RESID 33 (S): CA 60.920 60.920 60.670 0.249 RESID 33 (S): CB 63.430 63.430 63.783 -0.353 RESID 33 (S): H 8.075 8.075 8.299 -0.224 RESID 34 (R): N 120.600 120.600 122.972 -2.372 RESID 34 (R): C 176.100 176.100 176.770 -0.670 RESID 34 (R): CA 55.020 55.020 58.689 -3.669 RESID 34 (R): CB 30.850 30.850 30.634 0.216 RESID 34 (R): H 8.433 8.433 7.969 0.464 RESID 35 (G): N 108.900 108.900 103.729 5.171 RESID 35 (G): C 171.200 171.200 173.449 -2.249 RESID 35 (G): CA 45.060 45.060 45.559 -0.499 RESID 35 (G): H 7.837 7.837 8.595 -0.758 RESID 36 (T): N 116.300 116.300 116.137 0.163 RESID 36 (T): C 173.800 173.800 173.018 0.782 RESID 36 (T): CA 62.670 62.670 62.642 0.028 RESID 36 (T): CB 70.000 70.000 70.090 -0.090 RESID 36 (T): H 8.192 8.192 7.608 0.584 RESID 37 (H): N 125.800 125.800 125.309 0.491 RESID 37 (H): C 174.000 174.000 173.278 0.722 RESID 37 (H): CA 54.060 54.060 55.322 -1.262 RESID 37 (H): CB 31.020 31.020 33.058 -2.038 RESID 37 (H): H 8.986 8.986 8.622 0.364 RESID 38 (T): N 121.500 121.500 116.971 4.529 RESID 38 (T): C 174.200 174.200 172.802 1.398 RESID 38 (T): CA 63.190 63.190 61.075 2.115 RESID 38 (T): CB 70.080 70.080 71.341 -1.261 RESID 38 (T): H 9.101 9.101 7.475 1.626 RESID 39 (L): N 129.600 129.600 122.392 7.208 RESID 39 (L): C 176.900 176.900 176.800 0.100 RESID 39 (L): CA 53.990 53.990 53.473 0.517 RESID 39 (L): CB 43.160 43.160 44.084 -0.924 RESID 39 (L): H 9.145 9.145 8.683 0.462 RESID 40 (E): N 124.300 124.300 125.904 -1.604 RESID 40 (E): C 175.600 175.600 175.920 -0.320 RESID 40 (E): CA 59.420 59.420 59.129 0.291 RESID 40 (E): CB 30.710 30.710 30.221 0.489 RESID 40 (E): H 9.164 9.164 9.028 0.136 RESID 41 (S): N 108.300 108.300 110.122 -1.822 RESID 41 (S): C 171.700 171.700 173.182 -1.482 RESID 41 (S): CA 56.270 56.270 57.154 -0.884 RESID 41 (S): CB 65.420 65.420 64.813 0.607 RESID 41 (S): H 7.326 7.326 7.481 -0.155 RESID 42 (Q): N 123.900 123.900 120.585 3.315 RESID 42 (Q): C 174.600 174.600 174.744 -0.144 RESID 42 (Q): CA 53.730 53.730 55.759 -2.029 RESID 42 (Q): CB 28.470 28.470 27.909 0.561 RESID 42 (Q): H 7.339 7.339 8.601 -1.262 RESID 43 (P): C 176.300 176.300 176.644 -0.344 RESID 43 (P): CA 64.080 64.080 63.310 0.770 RESID 43 (P): CB 32.510 32.510 32.408 0.101 RESID 44 (Q): N 125.100 125.100 122.552 2.548 RESID 44 (Q): C 175.400 175.400 175.985 -0.585 RESID 44 (Q): CA 55.780 55.780 57.268 -1.488 RESID 44 (Q): CB 32.660 32.660 29.808 2.852 RESID 44 (Q): H 11.160 11.160 8.526 2.634 RESID 45 (R): N 125.700 125.700 117.430 8.270 RESID 45 (R): C 174.600 174.600 174.113 0.487 RESID 45 (R): CA 55.310 55.310 55.216 0.094 RESID 45 (R): CB 33.070 33.070 33.077 -0.007 RESID 45 (R): H 10.010 10.010 7.549 2.461 RESID 47 (V): C 174.700 174.700 174.474 0.226 RESID 47 (V): CA 60.970 60.970 61.232 -0.262 RESID 47 (V): CB 34.140 34.140 34.275 -0.135 RESID 48 (S): N 118.300 118.300 120.518 -2.218 RESID 48 (S): C 175.500 175.500 173.474 2.026 RESID 48 (S): CA 55.700 55.700 57.749 -2.049 RESID 48 (S): CB 64.750 64.750 66.436 -1.686 RESID 48 (S): H 7.852 7.852 8.483 -0.631 RESID 49 (T): N 116.800 116.800 111.644 5.156 RESID 49 (T): C 171.500 171.500 174.328 -2.828 RESID 49 (T): CA 62.400 62.400 61.602 0.798 RESID 49 (T): CB 69.320 69.320 69.548 -0.228 RESID 49 (T): H 8.283 8.283 8.402 -0.119 RESID 50 (S): N 116.200 116.200 116.584 -0.384 RESID 50 (S): C 174.600 174.600 175.121 -0.521 RESID 50 (S): CA 54.640 54.640 56.605 -1.964 RESID 50 (S): CB 64.000 64.000 63.846 0.154 RESID 50 (S): H 7.627 7.627 7.657 -0.030 RESID 51 (V): N 134.300 134.300 129.269 5.031 RESID 51 (V): C 175.100 175.100 177.842 -2.742 RESID 51 (V): CA 65.620 65.620 66.014 -0.394 RESID 51 (V): CB 31.790 31.790 31.908 -0.118 RESID 51 (V): H 9.218 9.218 8.762 0.456 RESID 52 (T): N 117.000 117.000 116.418 0.582 RESID 52 (T): C 179.700 179.700 176.491 3.209 RESID 52 (T): CA 67.390 67.390 66.254 1.136 RESID 52 (T): CB 69.130 69.130 68.570 0.560 RESID 52 (T): H 7.841 7.841 7.970 -0.129 RESID 53 (L): N 123.400 123.400 122.317 1.083 RESID 53 (L): C 178.700 178.700 178.384 0.316 RESID 53 (L): CA 57.460 57.460 58.212 -0.752 RESID 53 (L): CB 42.610 42.610 41.764 0.846 RESID 53 (L): H 8.092 8.092 8.645 -0.553 RESID 54 (T): N 117.500 117.500 115.714 1.786 RESID 54 (T): C 174.900 174.900 176.630 -1.730 RESID 54 (T): CA 67.070 67.070 67.745 -0.675 RESID 54 (T): H 8.039 8.039 8.110 -0.071 RESID 55 (G): N 105.500 105.500 109.230 -3.730 RESID 55 (G): C 175.600 175.600 175.821 -0.221 RESID 55 (G): CA 47.260 47.260 46.977 0.283 RESID 55 (G): H 6.591 6.591 7.848 -1.257 RESID 56 (S): N 117.000 117.000 117.736 -0.736 RESID 56 (S): C 175.600 175.600 176.744 -1.144 RESID 56 (S): CA 63.400 63.400 61.580 1.821 RESID 56 (S): CB 65.060 65.060 63.095 1.965 RESID 56 (S): H 6.709 6.709 7.950 -1.241 RESID 58 (L): C 181.200 181.200 179.422 1.778 RESID 58 (L): CA 57.480 57.480 57.746 -0.266 RESID 58 (L): CB 40.810 40.810 40.920 -0.110 RESID 59 (A): N 122.100 122.100 122.816 -0.716 RESID 59 (A): C 178.500 178.500 178.764 -0.264 RESID 59 (A): CA 55.540 55.540 54.798 0.742 RESID 59 (A): CB 18.440 18.440 18.775 -0.335 RESID 59 (A): H 7.797 7.797 8.099 -0.302 RESID 60 (I): C 172.700 172.700 174.234 -1.534 RESID 60 (I): CA 60.390 60.390 60.198 0.192 RESID 60 (I): CB 37.930 37.930 37.543 0.387 RESID 61 (D): N 116.200 116.200 118.704 -2.504 RESID 61 (D): C 174.800 174.800 174.573 0.227 RESID 61 (D): CA 55.850 55.850 55.791 0.059 RESID 61 (D): CB 38.930 38.930 38.978 -0.048 RESID 61 (D): H 7.736 7.736 7.732 0.004 RESID 62 (A): N 118.900 118.900 122.130 -3.230 RESID 62 (A): C 176.800 176.800 174.119 2.681 RESID 62 (A): CA 50.040 50.040 50.897 -0.857 RESID 62 (A): CB 17.940 17.940 19.560 -1.620 RESID 62 (A): H 7.820 7.820 7.708 0.112 RESID 63 (P): C 173.600 173.600 175.726 -2.126 RESID 63 (P): CA 63.250 63.250 62.627 0.623 RESID 63 (P): CB 27.640 27.640 32.344 -4.704 RESID 64 (V): N 123.100 123.100 119.241 3.859 RESID 64 (V): C 174.800 174.800 175.729 -0.929 RESID 64 (V): CA 58.420 58.420 59.891 -1.471 RESID 64 (V): CB 33.300 33.300 34.041 -0.741 RESID 64 (V): H 8.299 8.299 7.869 0.430 RESID 65 (I): N 122.000 122.000 126.405 -4.405 RESID 65 (I): C 177.100 177.100 175.555 1.545 RESID 65 (I): CA 61.010 61.010 64.027 -3.017 RESID 65 (I): CB 39.480 39.480 38.211 1.270 RESID 65 (I): H 8.589 8.589 8.331 0.258 RESID 66 (A): N 120.700 120.700 116.462 4.238 RESID 66 (A): C 175.100 175.100 175.226 -0.126 RESID 66 (A): CA 51.300 51.300 50.618 0.682 RESID 66 (A): CB 22.980 22.980 21.537 1.443 RESID 66 (A): H 7.246 7.246 7.669 -0.423 RESID 67 (S): N 111.700 111.700 116.828 -5.128 RESID 67 (S): C 176.500 176.500 174.228 2.272 RESID 67 (S): CA 55.230 55.230 57.299 -2.069 RESID 67 (S): CB 65.300 65.300 67.707 -2.407 RESID 67 (S): H 8.561 8.561 8.331 0.230 RESID 68 (G): N 112.900 112.900 107.271 5.629 RESID 68 (G): C 171.000 171.000 172.621 -1.621 RESID 68 (G): CA 46.580 46.580 44.541 2.039 RESID 68 (G): H 7.604 7.604 8.672 -1.068 RESID 69 (A): N 122.300 122.300 124.696 -2.396 RESID 69 (A): C 177.900 177.900 175.227 2.673 RESID 69 (A): CA 51.280 51.280 52.114 -0.834 RESID 69 (A): CB 23.440 23.440 21.043 2.397 RESID 69 (A): H 7.402 7.402 8.261 -0.859 RESID 70 (T): N 119.600 119.600 113.689 5.911 RESID 70 (T): C 171.400 171.400 173.732 -2.332 RESID 70 (T): CA 58.150 58.150 60.864 -2.715 RESID 70 (T): CB 70.880 70.880 69.844 1.036 RESID 70 (T): H 9.171 9.171 8.201 0.970 RESID 71 (T): N 116.500 116.500 121.648 -5.148 RESID 71 (T): C 172.500 172.500 172.939 -0.439 RESID 71 (T): CA 61.680 61.680 61.549 0.131 RESID 71 (T): CB 70.490 70.490 68.945 1.544 RESID 71 (T): H 7.663 7.663 8.455 -0.792 RESID 72 (P): C 177.100 177.100 176.137 0.963 RESID 72 (P): CA 63.390 63.390 63.574 -0.184 RESID 72 (P): CB 32.940 32.940 32.225 0.715 RESID 73 (N): N 115.200 115.200 119.796 -4.596 RESID 73 (N): C 174.600 174.600 176.227 -1.627 RESID 73 (N): CA 54.570 54.570 53.825 0.745 RESID 73 (N): CB 37.020 37.020 38.488 -1.468 RESID 73 (N): H 7.990 7.990 8.699 -0.709 RESID 74 (N): C 175.800 175.800 176.946 -1.146 RESID 74 (N): CA 60.660 60.660 55.648 5.012 RESID 74 (N): CB 38.070 38.070 37.710 0.360 RESID 75 (R): N 114.600 114.600 120.895 -6.295 RESID 75 (R): C 177.400 177.400 177.559 -0.159 RESID 75 (R): CA 59.940 59.940 58.862 1.078 RESID 75 (R): CB 31.110 31.110 30.070 1.040 RESID 75 (R): H 8.049 8.049 8.341 -0.292 RESID 76 (V): N 107.100 107.100 117.405 -10.305 RESID 76 (V): C 176.000 176.000 175.932 0.068 RESID 76 (V): CA 61.110 61.110 64.027 -2.917 RESID 76 (V): CB 33.590 33.590 31.553 2.037 RESID 76 (V): H 7.356 7.356 8.181 -0.825 RESID 77 (A): N 126.900 126.900 120.971 5.929 RESID 77 (A): C 176.500 176.500 177.583 -1.083 RESID 77 (A): CA 51.390 51.390 52.433 -1.043 RESID 77 (A): CB 24.260 24.260 19.147 5.113 RESID 77 (A): H 7.873 7.873 7.149 0.724 RESID 78 (D): N 118.700 118.700 116.906 1.794 RESID 78 (D): C 178.100 178.100 175.888 2.212 RESID 78 (D): CA 51.970 51.970 52.914 -0.944 RESID 78 (D): CB 41.360 41.360 40.997 0.363 RESID 78 (D): H 8.607 8.607 8.175 0.432 RESID 79 (D): N 116.600 116.600 115.725 0.875 RESID 79 (D): C 176.400 176.400 176.117 0.283 RESID 79 (D): CA 56.030 56.030 54.972 1.058 RESID 79 (D): CB 40.100 40.100 39.230 0.870 RESID 79 (D): H 8.258 8.258 8.423 -0.165 RESID 80 (Q): N 117.200 117.200 121.551 -4.351 RESID 80 (Q): C 175.700 175.700 176.884 -1.184 RESID 80 (Q): CA 54.970 54.970 56.499 -1.529 RESID 80 (Q): CB 30.840 30.840 28.447 2.393 RESID 80 (Q): H 8.160 8.160 8.337 -0.177 RESID 81 (G): N 105.300 105.300 105.309 -0.009 RESID 81 (G): C 174.200 174.200 173.345 0.855 RESID 81 (G): CA 45.740 45.740 44.791 0.949 RESID 81 (G): H 7.419 7.419 8.066 -0.647 RESID 82 (F): N 121.700 121.700 121.095 0.605 RESID 82 (F): C 175.300 175.300 175.730 -0.430 RESID 82 (F): CA 52.530 52.530 56.773 -4.243 RESID 82 (F): CB 37.430 37.430 40.056 -2.626 RESID 82 (F): H 8.154 8.154 7.851 0.303 RESID 83 (L): C 178.400 178.400 177.426 0.974 RESID 83 (L): CA 55.550 55.550 55.200 0.350 RESID 83 (L): CB 38.480 38.480 41.963 -3.483 RESID 84 (R): N 119.000 119.000 118.648 0.352 RESID 84 (R): C 178.300 178.300 177.526 0.774 RESID 84 (R): CA 60.690 60.690 57.199 3.491 RESID 84 (R): CB 31.530 31.530 29.881 1.649 RESID 84 (R): H 7.746 7.746 8.433 -0.687 RESID 85 (Q): N 116.400 116.400 118.990 -2.590 RESID 85 (Q): C 174.700 174.700 177.364 -2.664 RESID 85 (Q): CA 58.200 58.200 57.981 0.219 RESID 85 (Q): CB 26.140 26.140 29.320 -3.180 RESID 85 (Q): H 9.838 9.838 7.965 1.873 RESID 86 (W): N 115.600 115.600 122.129 -6.529 RESID 86 (W): C 175.900 175.900 177.685 -1.785 RESID 86 (W): CA 55.320 55.320 60.408 -5.088 RESID 86 (W): CB 27.470 27.470 29.537 -2.067 RESID 86 (W): H 6.600 6.600 8.551 -1.951 RESID 87 (S): N 118.500 118.500 114.735 3.765 RESID 87 (S): C 177.300 177.300 175.841 1.459 RESID 87 (S): CA 62.340 62.340 61.771 0.569 RESID 87 (S): H 7.067 7.067 8.345 -1.278 RESID 88 (K): N 118.300 118.300 122.247 -3.947 RESID 88 (K): C 179.000 179.000 178.818 0.182 RESID 88 (K): CA 59.970 59.970 59.497 0.473 RESID 88 (K): CB 32.380 32.380 32.472 -0.092 RESID 88 (K): H 8.615 8.615 7.631 0.984 RESID 89 (V): N 120.600 120.600 114.279 6.321 RESID 89 (V): C 178.100 178.100 177.302 0.798 RESID 89 (V): CA 65.530 65.530 65.451 0.079 RESID 89 (V): CB 32.180 32.180 31.680 0.500 RESID 89 (V): H 7.089 7.089 7.811 -0.722 RESID 90 (A): N 120.700 120.700 121.112 -0.412 RESID 90 (A): C 180.000 180.000 178.910 1.090 RESID 90 (A): CA 55.490 55.490 54.121 1.369 RESID 90 (A): CB 19.130 19.130 17.689 1.441 RESID 90 (A): H 7.979 7.979 7.295 0.684 RESID 91 (K): N 117.600 117.600 118.004 -0.404 RESID 91 (K): C 180.900 180.900 177.870 3.030 RESID 91 (K): CA 59.830 59.830 58.824 1.006 RESID 91 (K): CB 32.700 32.700 32.700 -0.000 RESID 91 (K): H 7.844 7.844 8.087 -0.243 RESID 92 (E): N 122.300 122.300 117.264 5.036 RESID 92 (E): C 178.600 178.600 177.088 1.512 RESID 92 (E): CA 59.590 59.590 57.285 2.304 RESID 92 (E): CB 29.740 29.740 30.391 -0.651 RESID 92 (E): H 8.178 8.178 7.693 0.485 RESID 93 (R): N 115.300 115.300 118.454 -3.154 RESID 93 (R): C 175.000 175.000 174.689 0.311 RESID 93 (R): CA 56.320 56.320 55.528 0.792 RESID 93 (R): CB 29.390 29.390 30.899 -1.509 RESID 93 (R): H 7.776 7.776 8.044 -0.268 RESID 94 (K): N 116.800 116.800 115.784 1.016 RESID 94 (K): C 176.400 176.400 175.837 0.563 RESID 94 (K): CA 56.950 56.950 57.613 -0.663 RESID 94 (K): CB 28.870 28.870 30.377 -1.507 RESID 94 (K): H 7.697 7.697 8.370 -0.673 RESID 95 (L): N 120.600 120.600 122.416 -1.816 RESID 95 (L): C 177.200 177.200 176.852 0.348 RESID 95 (L): CA 56.710 56.710 55.810 0.900 RESID 95 (L): CB 43.480 43.480 42.317 1.163 RESID 95 (L): H 7.708 7.708 7.665 0.043 RESID 96 (Q): N 124.900 124.900 124.297 0.603 RESID 96 (Q): C 175.000 175.000 176.201 -1.201 RESID 96 (Q): CA 55.570 55.570 54.883 0.687 RESID 96 (Q): CB 30.080 30.080 29.811 0.269 RESID 96 (Q): H 7.526 7.526 8.409 -0.883 RESID 97 (R): N 126.000 126.000 119.584 6.416 RESID 97 (R): C 176.800 176.800 176.211 0.589 RESID 97 (R): CA 55.610 55.610 56.601 -0.991 RESID 97 (R): CB 31.840 31.840 30.226 1.614 RESID 97 (R): H 9.039 9.039 8.542 0.497 RESID 98 (L): N 126.500 126.500 123.053 3.447 RESID 98 (L): C 175.400 175.400 175.824 -0.424 RESID 98 (L): CA 56.610 56.610 54.200 2.410 RESID 98 (L): CB 47.140 47.140 43.799 3.341 RESID 98 (L): H 8.247 8.247 8.686 -0.439 RESID 99 (Y): N 110.000 110.000 112.043 -2.043 RESID 99 (Y): C 173.200 173.200 174.590 -1.390 RESID 99 (Y): CA 55.320 55.320 56.142 -0.823 RESID 99 (Y): CB 38.350 38.350 39.359 -1.010 RESID 99 (Y): H 6.465 6.465 7.823 -1.358 RESID 100 (I): N 120.000 120.000 126.172 -6.172 RESID 100 (I): C 176.800 176.800 177.155 -0.355 RESID 100 (I): CA 61.290 61.290 63.112 -1.822 RESID 100 (I): CB 39.980 39.980 36.385 3.595 RESID 100 (I): H 8.725 8.725 8.624 0.101 RESID 101 (G): N 114.800 114.800 113.932 0.868 RESID 101 (G): C 173.400 173.400 174.084 -0.684 RESID 101 (G): CA 47.030 47.030 44.823 2.207 RESID 101 (G): H 8.224 8.224 8.475 -0.251 RESID 102 (E): N 129.600 129.600 118.670 10.930 RESID 102 (E): C 173.700 173.700 174.471 -0.771 RESID 102 (E): CA 54.480 54.480 54.009 0.471 RESID 102 (E): CB 29.790 29.790 27.751 2.039 RESID 102 (E): H 8.294 8.294 8.004 0.290 RESID 103 (P): C 175.400 175.400 176.236 -0.836 RESID 103 (P): CA 62.040 62.040 63.423 -1.383 RESID 103 (P): CB 32.570 32.570 32.663 -0.093 RESID 104 (S): N 111.900 111.900 117.093 -5.193 RESID 104 (S): C 174.800 174.800 174.633 0.167 RESID 104 (S): CA 55.340 55.340 58.509 -3.169 RESID 104 (S): CB 64.330 64.330 64.395 -0.065 RESID 104 (S): H 5.412 5.412 7.976 -2.564 RESID 105 (A): N 130.200 130.200 129.957 0.243 RESID 105 (A): C 179.400 179.400 179.051 0.349 RESID 105 (A): CA 55.070 55.070 54.314 0.756 RESID 105 (A): CB 18.210 18.210 19.115 -0.905 RESID 105 (A): H 9.211 9.211 8.880 0.331 RESID 106 (E): N 119.800 119.800 119.454 0.346 RESID 106 (E): C 179.300 179.300 178.862 0.438 RESID 106 (E): CA 60.270 60.270 59.031 1.239 RESID 106 (E): CB 28.990 28.990 29.466 -0.476 RESID 106 (E): H 8.731 8.731 8.580 0.151 RESID 107 (A): N 121.600 121.600 122.116 -0.516 RESID 107 (A): C 180.100 180.100 179.738 0.362 RESID 107 (A): CA 54.650 54.650 54.939 -0.289 RESID 107 (A): CB 19.220 19.220 18.438 0.782 RESID 107 (A): H 7.682 7.682 7.837 -0.155 RESID 108 (V): N 116.600 116.600 118.545 -1.945 RESID 108 (V): C 177.700 177.700 178.505 -0.805 RESID 108 (V): CA 66.920 66.920 65.963 0.957 RESID 108 (V): CB 31.430 31.430 31.732 -0.302 RESID 108 (V): H 7.015 7.015 7.514 -0.499 RESID 109 (A): N 121.400 121.400 122.821 -1.421 RESID 109 (A): C 181.100 181.100 179.224 1.876 RESID 109 (A): CA 55.540 55.540 54.914 0.626 RESID 109 (A): CB 17.900 17.900 18.040 -0.140 RESID 109 (A): H 8.262 8.262 8.114 0.148 RESID 110 (A): N 118.800 118.800 119.557 -0.757 RESID 110 (A): C 178.900 178.900 178.640 0.260 RESID 110 (A): CA 54.300 54.300 54.546 -0.246 RESID 110 (A): CB 18.460 18.460 18.487 -0.027 RESID 110 (A): H 7.607 7.607 7.937 -0.330 RESID 111 (Q): N 113.500 113.500 114.575 -1.075 RESID 111 (Q): C 174.900 174.900 175.951 -1.051 RESID 111 (Q): CA 55.160 55.160 54.262 0.898 RESID 111 (Q): CB 28.450 28.450 28.637 -0.187 RESID 111 (Q): H 7.148 7.148 7.436 -0.288 RESID 112 (M): N 114.700 114.700 120.820 -6.120 RESID 112 (M): C 173.300 173.300 173.233 0.067 RESID 112 (M): CA 55.900 55.900 55.533 0.367 RESID 112 (M): CB 30.300 30.300 31.737 -1.437 RESID 112 (M): H 7.882 7.882 7.939 -0.057 RESID 113 (P): C 176.700 176.700 176.244 0.456 RESID 113 (P): CA 62.820 62.820 62.607 0.213 RESID 113 (P): CB 33.340 33.340 32.946 0.394 RESID 114 (D): N 115.800 115.800 118.011 -2.211 RESID 114 (D): C 175.900 175.900 175.977 -0.077 RESID 114 (D): CA 53.150 53.150 55.232 -2.082 RESID 114 (D): CB 40.990 40.990 42.842 -1.852 RESID 114 (D): H 8.850 8.850 8.225 0.625 RESID 115 (L): C 174.900 174.900 174.291 0.609 RESID 115 (L): CA 52.800 52.800 54.192 -1.392 RESID 116 (I): N 123.500 123.500 126.333 -2.833 RESID 116 (I): CA 60.270 60.270 60.358 -0.089 RESID 116 (I): H 9.340 9.340 8.002 1.338 RESID 118 (I): C 174.400 174.400 175.383 -0.983 RESID 118 (I): CA 60.250 60.250 59.818 0.432 RESID 118 (I): CB 42.610 42.610 41.606 1.004 RESID 119 (S): N 121.600 121.600 121.246 0.354 RESID 119 (S): C 175.700 175.700 175.118 0.582 RESID 119 (S): CA 57.150 57.150 57.740 -0.590 RESID 119 (S): CB 65.280 65.280 64.593 0.687 RESID 119 (S): H 9.575 9.575 8.553 1.022 RESID 120 (A): N 126.000 126.000 124.524 1.476 RESID 120 (A): C 176.900 176.900 177.403 -0.503 RESID 120 (A): CA 54.300 54.300 54.351 -0.051 RESID 120 (A): CB 20.530 20.530 19.017 1.513 RESID 120 (A): H 8.143 8.143 8.660 -0.517 RESID 121 (T): N 106.400 106.400 110.492 -4.092 RESID 121 (T): C 173.000 173.000 173.139 -0.139 RESID 121 (T): CA 59.450 59.450 61.901 -2.450 RESID 121 (T): CB 72.310 72.310 70.716 1.594 RESID 121 (T): H 7.617 7.617 7.836 -0.219 RESID 122 (G): N 104.200 104.200 110.752 -6.552 RESID 122 (G): C 177.200 177.200 174.141 3.059 RESID 122 (G): CA 44.430 44.430 45.185 -0.756 RESID 122 (G): H 7.998 7.998 7.842 0.156 RESID 123 (G): C 174.100 174.100 174.316 -0.216 RESID 123 (G): CA 46.710 46.710 45.670 1.040 RESID 124 (D): N 116.900 116.900 119.327 -2.427 RESID 124 (D): C 176.900 176.900 175.925 0.975 RESID 124 (D): CA 52.320 52.320 52.909 -0.589 RESID 124 (D): CB 40.690 40.690 40.632 0.058 RESID 124 (D): H 8.617 8.617 7.792 0.825 RESID 125 (S): N 115.100 115.100 119.196 -4.096 RESID 125 (S): C 176.900 176.900 175.241 1.659 RESID 125 (S): CA 58.750 58.750 58.692 0.058 RESID 125 (S): CB 64.190 64.190 64.049 0.141 RESID 125 (S): H 7.322 7.322 8.428 -1.106 RESID 126 (A): N 134.900 134.900 130.173 4.727 RESID 126 (A): C 176.700 176.700 178.657 -1.957 RESID 126 (A): CA 51.150 51.150 53.496 -2.346 RESID 126 (A): CB 16.850 16.850 19.087 -2.237 RESID 126 (A): H 8.837 8.837 8.591 0.246 RESID 127 (L): N 121.000 121.000 121.004 -0.004 RESID 127 (L): C 178.900 178.900 178.347 0.553 RESID 127 (L): CA 58.730 58.730 57.275 1.455 RESID 127 (L): CB 42.840 42.840 41.608 1.232 RESID 127 (L): H 7.353 7.353 8.149 -0.796 RESID 128 (A): N 121.600 121.600 118.181 3.419 RESID 128 (A): C 178.900 178.900 178.172 0.728 RESID 128 (A): CA 55.010 55.010 54.188 0.822 RESID 128 (A): CB 18.200 18.200 18.691 -0.491 RESID 128 (A): H 8.918 8.918 7.621 1.297 RESID 129 (L): N 116.800 116.800 116.315 0.485 RESID 129 (L): C 177.000 177.000 177.906 -0.906 RESID 129 (L): CA 53.930 53.930 55.214 -1.284 RESID 129 (L): CB 42.710 42.710 43.077 -0.367 RESID 129 (L): H 7.776 7.776 7.421 0.355 RESID 130 (Y): N 122.000 122.000 122.879 -0.879 RESID 130 (Y): C 177.100 177.100 176.800 0.300 RESID 130 (Y): CA 64.420 64.420 62.891 1.529 RESID 130 (Y): CB 39.470 39.470 38.429 1.041 RESID 130 (Y): H 7.891 7.891 8.999 -1.108 RESID 131 (D): N 119.000 119.000 117.823 1.177 RESID 131 (D): C 178.300 178.300 178.410 -0.110 RESID 131 (D): CA 58.040 58.040 57.429 0.611 RESID 131 (D): CB 39.660 39.660 39.359 0.301 RESID 131 (D): H 9.014 9.014 8.104 0.910 RESID 132 (Q): N 118.900 118.900 119.926 -1.026 RESID 132 (Q): C 179.100 179.100 178.828 0.272 RESID 132 (Q): CA 58.930 58.930 58.758 0.173 RESID 132 (Q): CB 29.320 29.320 28.742 0.578 RESID 132 (Q): H 7.814 7.814 7.963 -0.149 RESID 133 (L): N 119.700 119.700 120.026 -0.326 RESID 133 (L): C 177.900 177.900 178.614 -0.714 RESID 133 (L): CA 57.910 57.910 57.579 0.331 RESID 133 (L): CB 40.980 40.980 41.795 -0.815 RESID 133 (L): H 8.450 8.450 8.917 -0.467 RESID 134 (S): N 111.800 111.800 114.999 -3.199 RESID 134 (S): C 175.500 175.500 175.990 -0.490 RESID 134 (S): CA 61.160 61.160 60.835 0.325 RESID 134 (S): CB 63.450 63.450 62.662 0.788 RESID 134 (S): H 8.128 8.128 8.467 -0.339 RESID 135 (T): N 111.100 111.100 116.336 -5.236 RESID 135 (T): C 175.300 175.300 176.460 -1.160 RESID 135 (T): CA 63.230 63.230 65.268 -2.038 RESID 135 (T): CB 69.670 69.670 69.014 0.656 RESID 135 (T): H 6.953 6.953 7.580 -0.627 RESID 136 (I): N 124.400 124.400 120.435 3.965 RESID 136 (I): C 175.800 175.800 175.562 0.238 RESID 136 (I): CA 63.940 63.940 63.984 -0.044 RESID 136 (I): CB 38.870 38.870 38.522 0.348 RESID 136 (I): H 7.694 7.694 7.275 0.419 RESID 137 (A): N 120.500 120.500 118.565 1.935 RESID 137 (A): C 172.300 172.300 173.916 -1.616 RESID 137 (A): CA 50.470 50.470 50.619 -0.149 RESID 137 (A): CB 19.320 19.320 19.449 -0.129 RESID 137 (A): H 7.540 7.540 8.018 -0.478 RESID 138 (P): C 174.700 174.700 176.219 -1.519 RESID 138 (P): CA 64.700 64.700 63.493 1.207 RESID 138 (P): CB 31.610 31.610 31.576 0.034 RESID 139 (T): N 122.000 122.000 120.036 1.964 RESID 139 (T): C 173.900 173.900 173.989 -0.089 RESID 139 (T): CA 61.630 61.630 63.212 -1.582 RESID 139 (T): CB 71.540 71.540 69.663 1.877 RESID 139 (T): H 7.990 7.990 8.162 -0.172 RESID 140 (L): C 174.900 174.900 174.301 0.599 RESID 140 (L): CA 52.740 52.740 53.533 -0.793 RESID 140 (L): CB 46.680 46.680 45.972 0.708 RESID 141 (I): N 123.500 123.500 125.653 -2.153 RESID 141 (I): C 175.700 175.700 175.278 0.422 RESID 141 (I): CA 60.250 60.250 61.193 -0.943 RESID 141 (I): CB 39.590 39.590 38.470 1.120 RESID 141 (I): H 9.345 9.345 8.019 1.326 RESID 142 (I): N 129.000 129.000 128.487 0.513 RESID 142 (I): C 174.400 174.400 174.130 0.270 RESID 142 (I): CA 57.930 57.930 59.920 -1.990 RESID 142 (I): CB 39.690 39.690 42.117 -2.427 RESID 142 (I): H 9.030 9.030 9.034 -0.004 RESID 143 (N): N 129.100 129.100 124.245 4.855 RESID 143 (N): C 174.700 174.700 174.244 0.456 RESID 143 (N): CA 51.390 51.390 53.261 -1.871 RESID 143 (N): CB 39.720 39.720 39.605 0.115 RESID 143 (N): H 9.388 9.388 8.649 0.739 RESID 144 (Y): N 119.900 119.900 126.172 -6.272 RESID 144 (Y): C 176.500 176.500 174.881 1.619 RESID 144 (Y): CA 55.820 55.820 59.877 -4.057 RESID 144 (Y): CB 39.120 39.120 39.223 -0.103 RESID 144 (Y): H 8.491 8.491 8.404 0.087 RESID 145 (D): N 125.200 125.200 124.134 1.066 RESID 145 (D): C 176.800 176.800 175.078 1.722 RESID 145 (D): CA 55.220 55.220 55.555 -0.335 RESID 145 (D): CB 43.120 43.120 39.926 3.194 RESID 145 (D): H 8.800 8.800 8.350 0.451 RESID 146 (D): N 119.100 119.100 115.183 3.917 RESID 146 (D): C 175.200 175.200 175.240 -0.040 RESID 146 (D): CA 53.230 53.230 53.620 -0.390 RESID 146 (D): CB 40.760 40.760 42.489 -1.729 RESID 146 (D): H 7.571 7.571 8.615 -1.044 RESID 147 (K): N 114.100 114.100 119.868 -5.768 RESID 147 (K): C 175.000 175.000 175.281 -0.281 RESID 147 (K): CA 54.070 54.070 55.635 -1.565 RESID 147 (K): CB 33.340 33.340 35.068 -1.728 RESID 147 (K): H 7.018 7.018 7.577 -0.559 RESID 148 (S): N 118.300 118.300 118.802 -0.502 RESID 148 (S): C 175.700 175.700 176.069 -0.369 RESID 148 (S): CA 57.120 57.120 57.185 -0.065 RESID 148 (S): CB 64.970 64.970 64.308 0.662 RESID 148 (S): H 8.709 8.709 8.485 0.224 RESID 149 (W): N 121.700 121.700 119.874 1.826 RESID 149 (W): C 179.300 179.300 177.247 2.053 RESID 149 (W): CA 59.890 59.890 58.574 1.316 RESID 149 (W): CB 27.660 27.660 28.399 -0.739 RESID 149 (W): H 8.779 8.779 8.896 -0.117 RESID 150 (Q): N 124.600 124.600 121.422 3.178 RESID 150 (Q): C 178.100 178.100 177.832 0.268 RESID 150 (Q): CA 61.660 61.660 58.295 3.365 RESID 150 (Q): CB 26.550 26.550 27.714 -1.164 RESID 150 (Q): H 8.369 8.369 6.750 1.619 RESID 151 (S): N 117.500 117.500 116.318 1.182 RESID 151 (S): C 177.500 177.500 176.923 0.577 RESID 151 (S): CA 61.760 61.760 61.174 0.586 RESID 151 (S): CB 63.360 63.360 62.654 0.706 RESID 151 (S): H 7.769 7.769 7.764 0.005 RESID 152 (L): N 125.200 125.200 122.705 2.495 RESID 152 (L): C 178.700 178.700 178.149 0.551 RESID 152 (L): CA 58.320 58.320 57.925 0.395 RESID 152 (L): CB 41.980 41.980 41.684 0.296 RESID 152 (L): H 8.460 8.460 8.376 0.084 RESID 153 (L): N 119.200 119.200 118.634 0.566 RESID 153 (L): C 179.700 179.700 178.660 1.040 RESID 153 (L): CA 58.960 58.960 57.528 1.432 RESID 153 (L): CB 41.270 41.270 41.367 -0.097 RESID 153 (L): H 8.562 8.562 7.640 0.922 RESID 154 (T): N 116.300 116.300 112.797 3.503 RESID 154 (T): C 177.200 177.200 176.890 0.310 RESID 154 (T): CA 67.290 67.290 65.983 1.307 RESID 154 (T): CB 68.640 68.640 68.109 0.531 RESID 154 (T): H 8.004 8.004 7.844 0.160 RESID 155 (Q): N 124.500 124.500 121.005 3.495 RESID 155 (Q): C 179.200 179.200 178.024 1.176 RESID 155 (Q): CA 59.710 59.710 58.341 1.369 RESID 155 (Q): CB 28.620 28.620 28.357 0.263 RESID 155 (Q): H 8.230 8.230 7.919 0.311 RESID 156 (L): C 180.900 180.900 179.267 1.633 RESID 156 (L): CA 57.540 57.540 56.918 0.622 RESID 156 (L): CB 41.710 41.710 41.832 -0.122 RESID 157 (G): N 112.800 112.800 107.008 5.792 RESID 157 (G): C 174.500 174.500 175.056 -0.556 RESID 157 (G): CA 48.300 48.300 46.507 1.793 RESID 157 (G): H 9.216 9.216 8.005 1.211 RESID 158 (E): N 123.500 123.500 118.675 4.825 RESID 158 (E): C 177.800 177.800 177.158 0.642 RESID 158 (E): CA 59.120 59.120 57.874 1.246 RESID 158 (E): CB 29.700 29.700 29.390 0.310 RESID 158 (E): H 7.480 7.480 7.459 0.021 RESID 160 (T): C 178.300 178.300 175.985 2.315 RESID 160 (T): CA 61.930 61.930 63.129 -1.199 RESID 160 (T): CB 71.830 71.830 69.219 2.611 RESID 161 (G): N 113.600 113.600 113.848 -0.248 RESID 161 (G): C 174.600 174.600 174.141 0.459 RESID 161 (G): CA 48.130 48.130 46.883 1.247 RESID 161 (G): H 8.114 8.114 8.993 -0.879 RESID 162 (H): N 121.000 121.000 116.030 4.970 RESID 162 (H): C 174.000 174.000 176.151 -2.151 RESID 162 (H): CA 55.370 55.370 55.839 -0.469 RESID 162 (H): CB 28.280 28.280 31.278 -2.998 RESID 162 (H): H 8.506 8.506 7.833 0.673 RESID 163 (E): N 123.900 123.900 122.165 1.735 RESID 163 (E): C 180.800 180.800 178.467 2.333 RESID 163 (E): CA 61.160 61.160 59.753 1.407 RESID 163 (E): CB 28.720 28.720 29.154 -0.434 RESID 163 (E): H 10.300 10.300 8.770 1.530 RESID 164 (K): N 120.600 120.600 120.366 0.234 RESID 164 (K): C 178.700 178.700 178.795 -0.095 RESID 164 (K): CA 59.590 59.590 60.047 -0.457 RESID 164 (K): CB 32.280 32.280 31.972 0.308 RESID 164 (K): H 8.789 8.789 8.392 0.397 RESID 165 (Q): N 119.500 119.500 117.314 2.186 RESID 165 (Q): C 178.800 178.800 178.135 0.665 RESID 165 (Q): CA 60.870 60.870 58.835 2.035 RESID 165 (Q): CB 28.120 28.120 28.388 -0.268 RESID 165 (Q): H 8.058 8.058 8.540 -0.482 RESID 166 (A): N 121.100 121.100 122.448 -1.348 RESID 166 (A): C 178.000 178.000 179.426 -1.426 RESID 166 (A): CA 56.280 56.280 54.957 1.323 RESID 166 (A): CB 18.300 18.300 18.077 0.223 RESID 166 (A): H 7.873 7.873 8.060 -0.187 RESID 167 (A): N 117.900 117.900 121.011 -3.111 RESID 167 (A): C 181.500 181.500 179.961 1.539 RESID 167 (A): CA 55.100 55.100 55.317 -0.217 RESID 167 (A): CB 17.860 17.860 18.055 -0.195 RESID 167 (A): H 7.642 7.642 8.664 -1.022 RESID 168 (E): N 120.100 120.100 118.564 1.536 RESID 168 (E): C 179.600 179.600 179.133 0.467 RESID 168 (E): CA 59.610 59.610 59.619 -0.009 RESID 168 (E): CB 29.790 29.790 29.337 0.454 RESID 168 (E): H 8.230 8.230 7.904 0.326 RESID 170 (I): C 177.700 177.700 177.694 0.006 RESID 170 (I): CA 66.880 66.880 65.298 1.582 RESID 170 (I): CB 39.310 39.310 37.953 1.357 RESID 171 (A): N 120.700 120.700 123.174 -2.474 RESID 171 (A): C 181.200 181.200 179.833 1.367 RESID 171 (A): CA 55.290 55.290 55.640 -0.350 RESID 171 (A): CB 18.260 18.260 18.114 0.146 RESID 171 (A): H 8.000 8.000 8.786 -0.786 RESID 172 (Q): N 120.600 120.600 118.031 2.569 RESID 172 (Q): C 179.200 179.200 178.580 0.620 RESID 172 (Q): CA 59.210 59.210 58.506 0.704 RESID 172 (Q): CB 28.340 28.340 28.596 -0.256 RESID 172 (Q): H 8.585 8.585 7.944 0.641 RESID 173 (F): N 122.500 122.500 122.617 -0.117 RESID 173 (F): C 176.400 176.400 177.398 -0.998 RESID 173 (F): CA 62.710 62.710 61.103 1.607 RESID 173 (F): CB 39.490 39.490 39.123 0.367 RESID 173 (F): H 8.457 8.457 8.746 -0.289 RESID 174 (D): N 121.000 121.000 120.113 0.887 RESID 174 (D): C 180.300 180.300 178.883 1.417 RESID 174 (D): CA 58.040 58.040 57.498 0.541 RESID 174 (D): CB 40.160 40.160 40.249 -0.089 RESID 174 (D): H 8.771 8.771 9.033 -0.262 RESID 175 (K): N 121.300 121.300 120.206 1.094 RESID 175 (K): C 179.800 179.800 178.635 1.165 RESID 175 (K): CA 59.630 59.630 59.633 -0.003 RESID 175 (K): CB 32.710 32.710 32.395 0.315 RESID 175 (K): H 8.125 8.125 8.195 -0.070 RESID 176 (Q): N 121.600 121.600 119.511 2.089 RESID 176 (Q): C 179.100 179.100 178.332 0.768 RESID 176 (Q): CA 58.460 58.460 58.938 -0.478 RESID 176 (Q): CB 27.990 27.990 28.524 -0.534 RESID 176 (Q): H 8.164 8.164 7.819 0.345 RESID 177 (L): N 125.600 125.600 119.593 6.007 RESID 177 (L): C 178.400 178.400 178.665 -0.265 RESID 177 (L): CA 59.890 59.890 57.237 2.653 RESID 177 (L): CB 41.200 41.200 41.356 -0.156 RESID 177 (L): H 8.944 8.944 7.740 1.204 RESID 178 (A): N 121.500 121.500 122.567 -1.067 RESID 178 (A): C 180.600 180.600 179.228 1.372 RESID 178 (A): CA 55.390 55.390 55.199 0.191 RESID 178 (A): CB 17.970 17.970 17.879 0.091 RESID 178 (A): H 7.690 7.690 8.229 -0.539 RESID 179 (A): N 120.200 120.200 120.972 -0.772 RESID 179 (A): C 180.600 180.600 179.877 0.723 RESID 179 (A): CA 54.860 54.860 54.515 0.345 RESID 179 (A): CB 18.190 18.190 18.600 -0.410 RESID 179 (A): H 7.706 7.706 7.651 0.055 RESID 180 (A): N 121.800 121.800 121.824 -0.024 RESID 180 (A): C 179.200 179.200 179.107 0.093 RESID 180 (A): CA 55.490 55.490 54.738 0.752 RESID 180 (A): CB 17.920 17.920 18.199 -0.279 RESID 180 (A): H 8.171 8.171 7.988 0.183 RESID 181 (K): N 118.100 118.100 118.005 0.095 RESID 181 (K): C 178.000 178.000 178.096 -0.096 RESID 181 (K): CA 59.830 59.830 59.233 0.597 RESID 181 (K): CB 33.340 33.340 32.640 0.700 RESID 181 (K): H 8.342 8.342 8.337 0.005 RESID 182 (E): N 114.400 114.400 116.529 -2.129 RESID 182 (E): C 177.300 177.300 177.436 -0.136 RESID 182 (E): CA 57.870 57.870 57.137 0.733 RESID 182 (E): CB 30.320 30.320 29.233 1.087 RESID 182 (E): H 7.153 7.153 7.720 -0.567 RESID 183 (Q): N 116.700 116.700 117.387 -0.687 RESID 183 (Q): C 177.200 177.200 176.178 1.022 RESID 183 (Q): CA 57.060 57.060 56.828 0.232 RESID 183 (Q): CB 31.550 31.550 31.143 0.406 RESID 183 (Q): H 7.458 7.458 7.647 -0.189 RESID 184 (I): N 117.800 117.800 115.870 1.930 RESID 184 (I): C 175.200 175.200 174.241 0.959 RESID 184 (I): CA 63.000 63.000 59.747 3.253 RESID 184 (I): CB 40.300 40.300 39.963 0.337 RESID 184 (I): H 7.723 7.723 7.437 0.286 RESID 185 (K): N 127.700 127.700 122.961 4.739 RESID 185 (K): C 175.600 175.600 175.626 -0.026 RESID 185 (K): CA 54.550 54.550 55.121 -0.571 RESID 185 (K): CB 31.600 31.600 34.505 -2.905 RESID 185 (K): H 8.743 8.743 7.912 0.831 RESID 186 (L): N 124.700 124.700 125.735 -1.035 RESID 186 (L): C 175.700 175.700 175.912 -0.212 RESID 186 (L): CA 54.240 54.240 51.879 2.361 RESID 186 (L): CB 41.050 41.050 40.663 0.387 RESID 186 (L): H 8.051 8.051 8.479 -0.428 RESID 188 (P): C 174.800 174.800 176.260 -1.460 RESID 188 (P): CA 65.060 65.060 63.578 1.482 RESID 188 (P): CB 32.670 32.670 31.650 1.020 RESID 189 (Q): N 121.300 121.300 121.099 0.201 RESID 189 (Q): C 174.800 174.800 172.924 1.876 RESID 189 (Q): CA 52.330 52.330 54.729 -2.399 RESID 189 (Q): CB 31.350 31.350 30.372 0.978 RESID 189 (Q): H 8.061 8.061 8.226 -0.165 RESID 190 (P): C 175.500 175.500 175.551 -0.051 RESID 190 (P): CA 62.820 62.820 62.472 0.348 RESID 190 (P): CB 35.450 35.450 32.818 2.632 RESID 191 (V): N 112.600 112.600 121.580 -8.980 RESID 191 (V): C 174.300 174.300 173.968 0.332 RESID 191 (V): CA 59.740 59.740 59.521 0.219 RESID 191 (V): CB 35.030 35.030 34.699 0.331 RESID 191 (V): H 9.214 9.214 8.547 0.667 RESID 192 (T): N 120.700 120.700 113.370 7.330 RESID 192 (T): C 172.300 172.300 172.088 0.212 RESID 192 (T): CA 63.030 63.030 59.523 3.507 RESID 192 (T): CB 71.550 71.550 71.257 0.293 RESID 192 (T): H 8.462 8.462 8.324 0.138 RESID 193 (A): N 132.900 132.900 122.986 9.914 RESID 193 (A): C 175.400 175.400 175.403 -0.003 RESID 193 (A): CA 50.570 50.570 51.126 -0.556 RESID 193 (A): CB 21.140 21.140 21.436 -0.296 RESID 193 (A): H 10.170 10.170 8.561 1.609 RESID 194 (I): N 115.400 115.400 117.488 -2.088 RESID 194 (I): C 176.600 176.600 173.699 2.901 RESID 194 (I): CA 59.540 59.540 60.001 -0.461 RESID 194 (I): CB 43.930 43.930 42.115 1.815 RESID 194 (I): H 9.269 9.269 8.522 0.747 RESID 195 (V): N 118.500 118.500 122.803 -4.303 RESID 195 (V): C 176.200 176.200 174.066 2.134 RESID 195 (V): CA 63.190 63.190 61.385 1.805 RESID 195 (V): CB 34.870 34.870 34.737 0.133 RESID 195 (V): H 8.484 8.484 8.642 -0.158 RESID 196 (Y): N 132.200 132.200 129.474 2.726 RESID 196 (Y): C 174.700 174.700 174.146 0.554 RESID 196 (Y): CA 57.000 57.000 57.414 -0.414 RESID 196 (Y): CB 41.250 41.250 40.191 1.059 RESID 196 (Y): H 9.989 9.989 8.982 1.007 RESID 197 (T): N 124.900 124.900 123.432 1.468 RESID 197 (T): C 174.300 174.300 173.366 0.934 RESID 197 (T): CA 60.740 60.740 60.629 0.111 RESID 197 (T): CB 68.560 68.560 71.594 -3.034 RESID 197 (T): H 8.262 8.262 7.833 0.429 RESID 198 (A): N 130.500 130.500 130.806 -0.306 RESID 198 (A): C 180.400 180.400 179.207 1.193 RESID 198 (A): CA 55.510 55.510 54.350 1.160 RESID 198 (A): CB 18.480 18.480 18.395 0.085 RESID 198 (A): H 8.524 8.524 8.848 -0.324 RESID 199 (A): N 118.700 118.700 123.494 -4.794 RESID 199 (A): C 177.700 177.700 178.718 -1.018 RESID 199 (A): CA 54.350 54.350 54.852 -0.502 RESID 199 (A): CB 18.350 18.350 17.943 0.407 RESID 199 (A): H 8.578 8.578 8.280 0.298 RESID 200 (A): N 116.700 116.700 120.533 -3.833 RESID 200 (A): C 176.600 176.600 177.250 -0.650 RESID 200 (A): CA 51.290 51.290 52.081 -0.791 RESID 200 (A): CB 20.180 20.180 18.855 1.325 RESID 200 (A): H 6.638 6.638 8.095 -1.457 RESID 201 (H): N 116.900 116.900 116.509 0.391 RESID 201 (H): C 172.900 172.900 173.402 -0.502 RESID 201 (H): CA 56.710 56.710 56.333 0.377 RESID 201 (H): CB 27.820 27.820 28.250 -0.430 RESID 201 (H): H 7.569 7.569 7.778 -0.209 RESID 202 (S): N 110.500 110.500 114.444 -3.944 RESID 202 (S): C 171.500 171.500 171.459 0.041 RESID 202 (S): CA 56.530 56.530 57.592 -1.062 RESID 202 (S): CB 66.170 66.170 66.309 -0.139 RESID 202 (S): H 7.109 7.109 7.806 -0.697 RESID 203 (A): N 120.900 120.900 123.883 -2.983 RESID 203 (A): C 174.900 174.900 175.285 -0.385 RESID 203 (A): CA 50.890 50.890 51.421 -0.531 RESID 203 (A): CB 24.510 24.510 22.209 2.301 RESID 203 (A): H 8.618 8.618 8.304 0.314 RESID 204 (N): N 118.900 118.900 118.846 0.054 RESID 204 (N): C 173.300 173.300 173.451 -0.151 RESID 204 (N): CA 51.520 51.520 52.068 -0.548 RESID 204 (N): CB 40.080 40.080 42.170 -2.090 RESID 204 (N): H 8.333 8.333 8.227 0.106 RESID 205 (L): N 127.200 127.200 121.702 5.498 RESID 205 (L): C 175.700 175.700 175.562 0.138 RESID 205 (L): CA 54.920 54.920 54.059 0.861 RESID 205 (L): CB 44.180 44.180 42.677 1.503 RESID 205 (L): H 9.265 9.265 7.607 1.658 RESID 206 (W): N 125.300 125.300 123.639 1.661 RESID 206 (W): C 177.100 177.100 176.445 0.655 RESID 206 (W): CA 56.630 56.630 57.368 -0.738 RESID 206 (W): CB 29.690 29.690 30.830 -1.140 RESID 206 (W): H 8.560 8.560 7.920 0.640 RESID 207 (T): N 112.000 112.000 110.217 1.783 RESID 207 (T): C 176.100 176.100 173.287 2.813 RESID 207 (T): CA 60.120 60.120 59.234 0.886 RESID 207 (T): CB 68.540 68.540 70.404 -1.864 RESID 207 (T): H 8.029 8.029 8.141 -0.112 RESID 208 (P): C 176.000 176.000 176.859 -0.859 RESID 208 (P): CA 66.120 66.120 65.402 0.718 RESID 208 (P): CB 31.950 31.950 32.169 -0.219 RESID 209 (E): N 112.300 112.300 115.023 -2.723 RESID 209 (E): C 177.100 177.100 176.816 0.284 RESID 209 (E): CA 57.280 57.280 57.221 0.059 RESID 209 (E): CB 29.760 29.760 30.148 -0.388 RESID 209 (E): H 7.612 7.612 7.969 -0.357 RESID 210 (S): N 115.800 115.800 115.085 0.715 RESID 210 (S): C 173.900 173.900 175.545 -1.645 RESID 210 (S): CA 58.060 58.060 59.191 -1.131 RESID 210 (S): CB 67.320 67.320 64.483 2.837 RESID 210 (S): H 7.654 7.654 7.435 0.219 RESID 211 (A): N 125.200 125.200 127.365 -2.165 RESID 211 (A): C 180.600 180.600 179.863 0.737 RESID 211 (A): CA 55.410 55.410 55.333 0.077 RESID 211 (A): CB 18.530 18.530 18.777 -0.247 RESID 211 (A): H 8.874 8.874 9.048 -0.174 RESID 212 (Q): N 119.200 119.200 118.634 0.566 RESID 212 (Q): C 177.100 177.100 178.020 -0.920 RESID 212 (Q): CA 61.410 61.410 58.971 2.439 RESID 212 (Q): CB 27.090 27.090 27.428 -0.338 RESID 212 (Q): H 8.493 8.493 8.489 0.004 RESID 213 (G): N 107.500 107.500 107.654 -0.154 RESID 213 (G): C 175.400 175.400 176.318 -0.918 RESID 213 (G): CA 47.520 47.520 46.836 0.684 RESID 213 (G): H 8.053 8.053 8.304 -0.251 RESID 214 (Q): N 120.700 120.700 121.459 -0.759 RESID 214 (Q): C 179.000 179.000 178.389 0.611 RESID 214 (Q): CA 59.150 59.150 58.860 0.290 RESID 214 (Q): CB 29.110 29.110 28.695 0.416 RESID 214 (Q): H 8.501 8.501 8.075 0.426 RESID 215 (M): N 119.200 119.200 120.635 -1.435 RESID 215 (M): C 177.800 177.800 178.177 -0.377 RESID 215 (M): CA 59.760 59.760 59.650 0.110 RESID 215 (M): CB 32.050 32.050 32.848 -0.798 RESID 215 (M): H 7.878 7.878 8.163 -0.285 RESID 216 (L): N 115.800 115.800 118.803 -3.003 RESID 216 (L): C 179.900 179.900 179.036 0.864 RESID 216 (L): CA 58.160 58.160 57.646 0.514 RESID 216 (L): CB 40.010 40.010 41.462 -1.452 RESID 216 (L): H 7.517 7.517 7.973 -0.456 RESID 217 (E): N 121.000 121.000 119.672 1.328 RESID 217 (E): C 182.200 182.200 179.236 2.964 RESID 217 (E): CA 60.210 60.210 58.925 1.285 RESID 217 (E): CB 29.150 29.150 29.421 -0.271 RESID 217 (E): H 8.377 8.377 8.165 0.212 RESID 218 (Q): N 122.300 122.300 117.056 5.244 RESID 218 (Q): C 178.100 178.100 178.862 -0.762 RESID 218 (Q): CA 59.220 59.220 58.242 0.978 RESID 218 (Q): CB 28.850 28.850 29.131 -0.281 RESID 218 (Q): H 8.464 8.464 7.922 0.542 RESID 219 (L): N 118.400 118.400 117.692 0.708 RESID 219 (L): C 175.200 175.200 177.446 -2.246 RESID 219 (L): CA 55.880 55.880 57.206 -1.326 RESID 219 (L): CB 44.330 44.330 42.869 1.461 RESID 219 (L): H 7.433 7.433 7.754 -0.321 RESID 220 (G): N 104.600 104.600 102.683 1.917 RESID 220 (G): C 174.700 174.700 172.941 1.759 RESID 220 (G): CA 44.750 44.750 44.682 0.068 RESID 220 (G): H 7.777 7.777 8.157 -0.380 RESID 221 (F): N 119.100 119.100 118.951 0.149 RESID 221 (F): C 175.200 175.200 174.346 0.854 RESID 221 (F): CA 57.900 57.900 55.961 1.939 RESID 221 (F): CB 38.930 38.930 42.767 -3.837 RESID 221 (F): H 8.001 8.001 7.776 0.225 RESID 222 (T): N 117.600 117.600 116.003 1.597 RESID 222 (T): C 173.900 173.900 173.383 0.517 RESID 222 (T): CA 61.790 61.790 61.208 0.582 RESID 222 (T): CB 71.360 71.360 69.772 1.588 RESID 222 (T): H 8.961 8.961 8.564 0.397 RESID 223 (L): N 128.300 128.300 127.106 1.194 RESID 223 (L): C 178.300 178.300 176.639 1.661 RESID 223 (L): CA 54.760 54.760 53.408 1.352 RESID 223 (L): CB 41.600 41.600 42.743 -1.143 RESID 223 (L): H 9.269 9.269 8.209 1.060 RESID 224 (A): N 126.800 126.800 128.061 -1.261 RESID 224 (A): C 177.400 177.400 175.855 1.545 RESID 224 (A): CA 52.460 52.460 50.982 1.478 RESID 224 (A): CB 18.650 18.650 20.839 -2.189 RESID 224 (A): H 9.077 9.077 8.103 0.974 RESID 225 (K): N 123.400 123.400 121.206 2.194 RESID 225 (K): C 176.800 176.800 176.192 0.608 RESID 225 (K): CA 55.600 55.600 55.581 0.019 RESID 225 (K): CB 33.080 33.080 32.905 0.175 RESID 225 (K): H 8.601 8.601 8.365 0.236 RESID 226 (L): N 126.200 126.200 128.019 -1.819 RESID 226 (L): C 175.500 175.500 175.608 -0.108 RESID 226 (L): CA 53.420 53.420 53.941 -0.521 RESID 226 (L): CB 41.720 41.720 41.245 0.475 RESID 226 (L): H 8.634 8.634 8.521 0.113 RESID 227 (P): C 176.800 176.800 177.065 -0.265 RESID 227 (P): CA 62.860 62.860 62.891 -0.031 RESID 227 (P): CB 32.360 32.360 32.187 0.173 RESID 228 (A): N 124.900 124.900 124.825 0.075 RESID 228 (A): C 179.500 179.500 178.470 1.030 RESID 228 (A): CA 54.120 54.120 53.400 0.720 RESID 228 (A): CB 18.710 18.710 18.702 0.008 RESID 228 (A): H 8.412 8.412 8.510 -0.098 RESID 229 (G): N 107.700 107.700 107.487 0.213 RESID 229 (G): C 175.000 175.000 176.001 -1.001 RESID 229 (G): CA 46.040 46.040 45.431 0.609 RESID 229 (G): H 8.565 8.565 8.093 0.472 RESID 230 (L): N 121.100 121.100 122.346 -1.246 RESID 230 (L): C 176.900 176.900 178.340 -1.440 RESID 230 (L): CA 55.620 55.620 55.535 0.085 RESID 230 (L): CB 42.630 42.630 41.688 0.942 RESID 230 (L): H 7.454 7.454 7.883 -0.429 RESID 231 (N): N 119.400 119.400 119.831 -0.431 RESID 231 (N): C 175.300 175.300 175.905 -0.605 RESID 231 (N): CA 53.650 53.650 56.140 -2.490 RESID 231 (N): CB 38.940 38.940 37.999 0.941 RESID 231 (N): H 8.211 8.211 8.031 0.180 RESID 232 (A): N 124.500 124.500 119.555 4.945 RESID 232 (A): C 178.100 178.100 178.044 0.056 RESID 232 (A): CA 53.110 53.110 51.684 1.426 RESID 232 (A): CB 19.340 19.340 18.037 1.303 RESID 232 (A): H 8.103 8.103 7.930 0.173 RESID 233 (S): N 115.200 115.200 115.274 -0.074 RESID 233 (S): C 175.100 175.100 175.582 -0.482 RESID 233 (S): CA 59.280 59.280 61.051 -1.771 RESID 233 (S): CB 64.280 64.280 63.339 0.941 RESID 233 (S): H 8.169 8.169 8.438 -0.269 RESID 234 (Q): N 122.100 122.100 120.566 1.534 RESID 234 (Q): C 176.400 176.400 175.707 0.693 RESID 234 (Q): CA 56.240 56.240 56.075 0.165 RESID 234 (Q): CB 29.490 29.490 30.791 -1.301 RESID 234 (Q): H 8.230 8.230 7.783 0.447 RESID 235 (S): N 117.100 117.100 118.085 -0.985 RESID 235 (S): C 174.900 174.900 174.647 0.253 RESID 235 (S): CA 58.910 58.910 58.878 0.032 RESID 235 (S): CB 64.510 64.510 62.887 1.623 RESID 235 (S): H 8.229 8.229 8.438 -0.209 RESID 236 (Q): N 122.300 122.300 127.120 -4.820 RESID 236 (Q): C 176.700 176.700 175.438 1.262 RESID 236 (Q): CA 56.610 56.610 55.500 1.110 RESID 236 (Q): CB 29.280 29.280 27.632 1.648 RESID 236 (Q): H 8.372 8.372 8.858 -0.486 RESID 237 (G): N 110.400 110.400 109.039 1.361 RESID 237 (G): C 174.100 174.100 172.958 1.142 RESID 237 (G): CA 45.720 45.720 45.472 0.248 RESID 237 (G): H 8.381 8.381 7.585 0.796 RESID 238 (K): N 120.500 120.500 121.484 -0.984 RESID 238 (K): C 176.600 176.600 175.489 1.111 RESID 238 (K): CA 56.490 56.490 56.004 0.486 RESID 238 (K): CB 33.320 33.320 32.769 0.551 RESID 238 (K): H 7.968 7.968 8.360 -0.392 RESID 239 (R): N 120.900 120.900 124.978 -4.078 RESID 239 (R): CA 56.130 56.130 55.941 0.189 RESID 239 (R): CB 31.560 31.560 30.906 0.654 RESID 239 (R): H 8.159 8.159 8.499 -0.340 RESID 240 (H): C 174.800 174.800 176.524 -1.724 RESID 240 (H): CA 55.740 55.740 58.616 -2.876 RESID 240 (H): CB 29.760 29.760 30.068 -0.308 RESID 241 (D): N 119.800 119.800 119.228 0.572 RESID 241 (D): C 174.700 174.700 176.274 -1.574 RESID 241 (D): CA 55.500 55.500 55.993 -0.493 RESID 241 (D): CB 40.550 40.550 41.222 -0.672 RESID 241 (D): H 9.052 9.052 8.393 0.659 RESID 242 (I): N 115.200 115.200 114.993 0.207 RESID 242 (I): C 175.600 175.600 174.384 1.216 RESID 242 (I): CA 59.090 59.090 59.399 -0.309 RESID 242 (I): CB 43.670 43.670 40.907 2.763 RESID 242 (I): H 7.087 7.087 7.405 -0.318 RESID 243 (I): N 125.100 125.100 126.080 -0.980 RESID 243 (I): C 175.300 175.300 174.265 1.035 RESID 243 (I): CA 60.340 60.340 60.633 -0.293 RESID 243 (I): CB 41.290 41.290 38.388 2.902 RESID 243 (I): H 8.746 8.746 8.528 0.218 RESID 244 (Q): N 128.400 128.400 127.530 0.870 RESID 244 (Q): C 175.300 175.300 174.251 1.049 RESID 244 (Q): CA 56.460 56.460 54.925 1.534 RESID 244 (Q): CB 29.800 29.800 29.793 0.007 RESID 244 (Q): H 8.768 8.768 8.594 0.174 RESID 245 (L): N 125.500 125.500 123.511 1.989 RESID 245 (L): C 176.200 176.200 176.606 -0.406 RESID 245 (L): CA 53.790 53.790 53.115 0.675 RESID 245 (L): CB 45.100 45.100 44.854 0.246 RESID 245 (L): H 8.640 8.640 8.347 0.293 RESID 246 (G): N 109.700 109.700 105.061 4.639 RESID 246 (G): C 174.200 174.200 174.326 -0.126 RESID 246 (G): CA 44.590 44.590 45.034 -0.444 RESID 246 (G): H 8.424 8.424 8.442 -0.018 RESID 247 (G): N 108.500 108.500 108.658 -0.158 RESID 247 (G): C 176.800 176.800 174.977 1.823 RESID 247 (G): CA 47.500 47.500 44.357 3.143 RESID 247 (G): H 8.666 8.666 7.735 0.931 RESID 248 (E): N 123.700 123.700 121.145 2.555 RESID 248 (E): C 177.300 177.300 176.521 0.779 RESID 248 (E): CA 58.560 58.560 57.498 1.062 RESID 248 (E): CB 29.330 29.330 29.227 0.103 RESID 248 (E): H 9.265 9.265 8.809 0.456 RESID 249 (N): N 116.700 116.700 116.463 0.237 RESID 249 (N): C 175.500 175.500 176.001 -0.501 RESID 249 (N): CA 53.490 53.490 53.656 -0.165 RESID 249 (N): CB 39.390 39.390 38.740 0.650 RESID 249 (N): H 7.963 7.963 7.628 0.335 RESID 250 (L): N 121.100 121.100 119.921 1.179 RESID 250 (L): C 177.100 177.100 178.099 -0.999 RESID 250 (L): CA 58.810 58.810 57.015 1.795 RESID 250 (L): CB 42.220 42.220 41.467 0.753 RESID 250 (L): H 7.104 7.104 7.789 -0.685 RESID 251 (A): N 117.400 117.400 122.415 -5.015 RESID 251 (A): C 179.500 179.500 178.165 1.335 RESID 251 (A): CA 55.340 55.340 54.657 0.683 RESID 251 (A): CB 17.960 17.960 18.388 -0.428 RESID 251 (A): H 8.141 8.141 8.312 -0.171 RESID 252 (A): N 117.400 117.400 118.578 -1.178 RESID 252 (A): C 179.100 179.100 178.320 0.780 RESID 252 (A): CA 53.990 53.990 52.385 1.605 RESID 252 (A): CB 18.970 18.970 18.964 0.006 RESID 252 (A): H 7.375 7.375 8.409 -1.034 RESID 253 (G): N 100.600 100.600 107.907 -7.307 RESID 253 (G): C 172.700 172.700 174.796 -2.096 RESID 253 (G): CA 45.380 45.380 45.021 0.359 RESID 253 (G): H 7.589 7.589 7.553 0.036 RESID 254 (L): N 124.800 124.800 122.842 1.958 RESID 254 (L): C 175.300 175.300 177.586 -2.286 RESID 254 (L): CA 53.020 53.020 54.868 -1.849 RESID 254 (L): CB 39.090 39.090 42.112 -3.022 RESID 254 (L): H 7.202 7.202 7.788 -0.586 RESID 255 (N): N 113.800 113.800 121.500 -7.700 RESID 255 (N): C 176.600 176.600 176.257 0.343 RESID 255 (N): CA 53.420 53.420 53.980 -0.560 RESID 255 (N): CB 37.600 37.600 38.820 -1.220 RESID 255 (N): H 7.701 7.701 8.841 -1.140 RESID 256 (G): N 109.100 109.100 106.630 2.470 RESID 256 (G): C 172.200 172.200 174.574 -2.374 RESID 256 (G): CA 45.790 45.790 45.342 0.448 RESID 256 (G): H 7.856 7.856 8.555 -0.699 RESID 257 (E): N 120.100 120.100 118.708 1.392 RESID 257 (E): C 176.900 176.900 175.381 1.519 RESID 257 (E): CA 57.880 57.880 56.639 1.241 RESID 257 (E): CB 29.760 29.760 30.476 -0.716 RESID 257 (E): H 8.443 8.443 8.612 -0.169 RESID 258 (S): N 107.500 107.500 113.983 -6.483 RESID 258 (S): C 172.500 172.500 172.519 -0.019 RESID 258 (S): CA 58.010 58.010 58.781 -0.771 RESID 258 (S): CB 66.360 66.360 63.501 2.859 RESID 258 (S): H 7.176 7.176 8.022 -0.846 RESID 259 (L): N 124.900 124.900 127.835 -2.935 RESID 259 (L): C 173.900 173.900 176.368 -2.468 RESID 259 (L): CA 53.630 53.630 54.419 -0.789 RESID 259 (L): CB 46.240 46.240 42.248 3.992 RESID 259 (L): H 8.969 8.969 8.030 0.939 RESID 260 (F): N 123.700 123.700 123.049 0.651 RESID 260 (F): C 174.200 174.200 176.030 -1.830 RESID 260 (F): CA 56.460 56.460 54.971 1.489 RESID 260 (F): CB 41.560 41.560 40.456 1.104 RESID 260 (F): H 9.295 9.295 8.149 1.146 RESID 261 (L): N 123.900 123.900 120.176 3.724 RESID 261 (L): C 177.600 177.600 177.102 0.498 RESID 261 (L): CA 54.010 54.010 53.186 0.824 RESID 261 (L): CB 41.470 41.470 45.510 -4.040 RESID 261 (L): H 9.034 9.034 8.174 0.860 RESID 262 (F): N 123.800 123.800 122.292 1.508 RESID 262 (F): C 175.500 175.500 175.828 -0.328 RESID 262 (F): CA 58.850 58.850 57.018 1.832 RESID 262 (F): CB 39.930 39.930 38.490 1.440 RESID 262 (F): H 9.338 9.338 9.120 0.218 RESID 263 (A): N 121.900 121.900 124.126 -2.226 RESID 263 (A): C 175.300 175.300 177.024 -1.724 RESID 263 (A): CA 53.630 53.630 52.636 0.994 RESID 263 (A): CB 19.700 19.700 16.811 2.889 RESID 263 (A): H 8.902 8.902 8.289 0.613 RESID 264 (G): N 104.500 104.500 111.589 -7.089 RESID 264 (G): C 171.100 171.100 172.729 -1.629 RESID 264 (G): CA 45.540 45.540 45.063 0.477 RESID 264 (G): H 6.746 6.746 7.881 -1.135 RESID 265 (D): N 122.300 122.300 122.670 -0.370 RESID 265 (D): C 177.300 177.300 177.269 0.031 RESID 265 (D): CA 51.660 51.660 52.776 -1.116 RESID 265 (D): CB 42.840 42.840 42.258 0.582 RESID 265 (D): H 9.052 9.052 8.110 0.942 RESID 266 (Q): N 118.400 118.400 119.602 -1.202 RESID 266 (Q): C 177.600 177.600 177.460 0.140 RESID 266 (Q): CA 58.620 58.620 59.068 -0.448 RESID 266 (Q): CB 28.490 28.490 28.648 -0.158 RESID 266 (Q): H 8.277 8.277 8.606 -0.329 RESID 267 (K): N 117.700 117.700 118.782 -1.082 RESID 267 (K): C 180.400 180.400 178.091 2.309 RESID 267 (K): CA 59.390 59.390 59.553 -0.163 RESID 267 (K): CB 31.440 31.440 31.788 -0.348 RESID 267 (K): H 7.879 7.879 7.923 -0.044 RESID 268 (D): N 121.600 121.600 119.650 1.950 RESID 268 (D): C 177.400 177.400 178.340 -0.940 RESID 268 (D): CA 57.980 57.980 56.978 1.002 RESID 268 (D): CB 41.550 41.550 40.251 1.299 RESID 268 (D): H 7.640 7.640 8.121 -0.481 RESID 269 (A): N 121.700 121.700 121.480 0.220 RESID 269 (A): C 179.000 179.000 178.423 0.577 RESID 269 (A): CA 55.640 55.640 54.926 0.714 RESID 269 (A): CB 17.490 17.490 18.194 -0.704 RESID 269 (A): H 7.370 7.370 7.619 -0.249 RESID 270 (D): N 118.200 118.200 117.982 0.218 RESID 270 (D): C 179.300 179.300 176.512 2.788 RESID 270 (D): CA 57.570 57.570 56.301 1.269 RESID 270 (D): CB 39.860 39.860 40.248 -0.388 RESID 270 (D): H 8.735 8.735 7.963 0.772 RESID 271 (A): N 122.900 122.900 119.900 3.000 RESID 271 (A): C 180.800 180.800 179.322 1.478 RESID 271 (A): CA 55.040 55.040 53.562 1.478 RESID 271 (A): CB 18.300 18.300 19.317 -1.017 RESID 271 (A): H 7.579 7.579 7.030 0.549 RESID 272 (I): N 0.000 0.000 120.467 -120.467 RESID 272 (I): C 178.300 178.300 176.951 1.349 RESID 272 (I): CA 63.880 63.880 64.656 -0.776 RESID 272 (I): CB 35.710 35.710 38.126 -2.416 RESID 272 (I): H 7.340 7.340 8.403 -1.063 RESID 273 (Y): N 116.300 116.300 116.977 -0.677 RESID 273 (Y): C 177.000 177.000 176.774 0.226 RESID 273 (Y): CA 61.100 61.100 58.304 2.796 RESID 273 (Y): CB 37.770 37.770 35.841 1.929 RESID 273 (Y): H 7.509 7.509 7.291 0.218 RESID 274 (A): N 118.600 118.600 121.823 -3.223 RESID 274 (A): C 177.200 177.200 177.184 0.016 RESID 274 (A): CA 52.030 52.030 53.000 -0.970 RESID 274 (A): CB 19.580 19.580 19.420 0.160 RESID 274 (A): H 7.495 7.495 7.826 -0.331 RESID 275 (N): N 119.900 119.900 118.243 1.657 RESID 275 (N): C 175.700 175.700 174.013 1.687 RESID 275 (N): CA 51.030 51.030 51.362 -0.333 RESID 275 (N): CB 38.590 38.590 37.029 1.561 RESID 275 (N): H 7.200 7.200 7.957 -0.757 RESID 276 (P): C 178.900 178.900 178.498 0.402 RESID 276 (P): CA 65.190 65.190 65.465 -0.274 RESID 276 (P): CB 32.440 32.440 32.041 0.399 RESID 277 (L): N 116.700 116.700 117.419 -0.719 RESID 277 (L): C 178.000 178.000 178.911 -0.911 RESID 277 (L): CA 56.630 56.630 57.550 -0.920 RESID 277 (L): CB 41.720 41.720 41.506 0.214 RESID 277 (L): H 7.777 7.777 7.927 -0.150 RESID 278 (L): N 115.100 115.100 116.587 -1.487 RESID 278 (L): C 176.600 176.600 177.873 -1.273 RESID 278 (L): CA 53.200 53.200 54.940 -1.740 RESID 278 (L): CB 40.960 40.960 41.305 -0.345 RESID 278 (L): H 7.485 7.485 7.680 -0.195 RESID 279 (A): N 118.600 118.600 123.096 -4.496 RESID 279 (A): C 177.700 177.700 177.806 -0.106 RESID 279 (A): CA 55.090 55.090 54.370 0.720 RESID 279 (A): CB 19.710 19.710 18.601 1.109 RESID 279 (A): H 6.665 6.665 7.905 -1.240 RESID 280 (H): N 111.600 111.600 115.283 -3.683 RESID 280 (H): C 175.500 175.500 175.207 0.293 RESID 280 (H): CA 55.360 55.360 56.258 -0.898 RESID 280 (H): CB 29.540 29.540 28.641 0.899 RESID 280 (H): H 8.337 8.337 8.197 0.140 RESID 281 (L): N 124.100 124.100 122.506 1.594 RESID 281 (L): C 176.300 176.300 175.869 0.431 RESID 281 (L): CA 53.330 53.330 52.962 0.368 RESID 281 (L): CB 40.490 40.490 41.949 -1.459 RESID 281 (L): H 7.289 7.289 7.445 -0.156 RESID 282 (P): C 178.200 178.200 178.378 -0.178 RESID 282 (P): CA 66.050 66.050 65.681 0.369 RESID 282 (P): CB 32.150 32.150 31.724 0.427 RESID 283 (A): N 116.000 116.000 119.222 -3.222 RESID 283 (A): C 179.000 179.000 179.845 -0.845 RESID 283 (A): CA 55.630 55.630 55.189 0.441 RESID 283 (A): CB 19.490 19.490 18.185 1.305 RESID 283 (A): H 7.969 7.969 8.424 -0.455 RESID 284 (V): N 115.200 115.200 118.497 -3.297 RESID 284 (V): C 180.000 180.000 178.925 1.075 RESID 284 (V): CA 65.640 65.640 65.888 -0.247 RESID 284 (V): CB 32.560 32.560 30.822 1.738 RESID 284 (V): H 6.557 6.557 7.680 -1.123 RESID 285 (Q): N 121.200 121.200 120.435 0.765 RESID 285 (Q): C 178.000 178.000 177.654 0.346 RESID 285 (Q): CA 59.500 59.500 58.797 0.703 RESID 285 (Q): CB 29.080 29.080 28.609 0.471 RESID 285 (Q): H 8.581 8.581 7.812 0.769 RESID 286 (N): N 112.600 112.600 113.979 -1.379 RESID 286 (N): C 174.500 174.500 173.854 0.646 RESID 286 (N): CA 53.160 53.160 52.722 0.438 RESID 286 (N): CB 38.390 38.390 38.745 -0.355 RESID 286 (N): H 8.117 8.117 8.045 0.072 RESID 287 (K): N 118.500 118.500 115.953 2.547 RESID 287 (K): C 176.100 176.100 176.218 -0.118 RESID 287 (K): CA 57.540 57.540 57.304 0.236 RESID 287 (K): CB 28.570 28.570 29.541 -0.971 RESID 287 (K): H 7.724 7.724 7.686 0.038 RESID 288 (Q): N 119.700 119.700 117.140 2.560 RESID 288 (Q): C 173.700 173.700 174.073 -0.373 RESID 288 (Q): CA 52.970 52.970 54.831 -1.861 RESID 288 (Q): CB 28.640 28.640 28.995 -0.355 RESID 288 (Q): H 8.895 8.895 8.419 0.476 RESID 289 (V): N 119.200 119.200 118.575 0.625 RESID 289 (V): C 175.100 175.100 175.002 0.098 RESID 289 (V): CA 61.600 61.600 61.058 0.542 RESID 289 (V): CB 32.610 32.610 33.828 -1.218 RESID 289 (V): H 6.246 6.246 6.905 -0.659 RESID 290 (Y): N 125.700 125.700 124.345 1.355 RESID 290 (Y): C 174.100 174.100 174.483 -0.383 RESID 290 (Y): CA 56.830 56.830 56.529 0.301 RESID 290 (Y): CB 40.950 40.950 42.370 -1.420 RESID 290 (Y): H 8.682 8.682 9.106 -0.424 RESID 291 (A): N 126.900 126.900 122.023 4.877 RESID 291 (A): C 178.300 178.300 176.694 1.606 RESID 291 (A): CA 51.560 51.560 50.393 1.167 RESID 291 (A): CB 19.670 19.670 21.255 -1.585 RESID 291 (A): H 9.057 9.057 8.654 0.403 RESID 292 (L): N 120.800 120.800 119.771 1.029 RESID 292 (L): C 175.500 175.500 176.234 -0.734 RESID 292 (L): CA 54.880 54.880 54.244 0.636 RESID 292 (L): CB 42.490 42.490 42.274 0.216 RESID 292 (L): H 8.342 8.342 8.929 -0.587 RESID 293 (G): N 107.500 107.500 103.859 3.641 RESID 293 (G): C 177.600 177.600 174.083 3.517 RESID 293 (G): CA 45.110 45.110 44.435 0.674 RESID 293 (G): H 7.973 7.973 7.385 0.588 RESID 294 (T): N 117.800 117.800 116.732 1.068 RESID 294 (T): C 176.400 176.400 176.013 0.387 RESID 294 (T): CA 65.260 65.260 65.200 0.060 RESID 294 (T): CB 68.310 68.310 69.164 -0.854 RESID 294 (T): H 8.808 8.808 8.572 0.236 RESID 295 (E): N 122.100 122.100 119.926 2.174 RESID 295 (E): C 177.700 177.700 176.582 1.118 RESID 295 (E): CA 58.540 58.540 58.303 0.237 RESID 295 (E): CB 29.010 29.010 28.773 0.237 RESID 295 (E): H 10.380 10.380 8.842 1.538 RESID 296 (T): N 103.000 103.000 108.618 -5.618 RESID 296 (T): C 173.600 173.600 174.306 -0.706 RESID 296 (T): CA 62.320 62.320 61.215 1.105 RESID 296 (T): CB 69.170 69.170 67.757 1.413 RESID 296 (T): H 7.062 7.062 7.909 -0.847 RESID 297 (F): N 121.500 121.500 123.048 -1.548 RESID 297 (F): C 174.500 174.500 175.860 -1.360 RESID 297 (F): CA 61.700 61.700 61.046 0.654 RESID 297 (F): CB 39.640 39.640 39.779 -0.139 RESID 297 (F): H 8.108 8.108 7.803 0.305 RESID 298 (R): N 116.800 116.800 119.763 -2.963 RESID 298 (R): C 176.000 176.000 175.093 0.907 RESID 298 (R): CA 54.160 54.160 55.754 -1.594 RESID 298 (R): CB 32.460 32.460 31.099 1.361 RESID 298 (R): H 7.552 7.552 8.257 -0.705 RESID 299 (L): N 125.500 125.500 126.655 -1.155 RESID 299 (L): C 174.800 174.800 174.352 0.448 RESID 299 (L): CA 54.300 54.300 54.023 0.277 RESID 299 (L): CB 41.670 41.670 43.945 -2.275 RESID 299 (L): H 8.903 8.903 8.373 0.530 RESID 300 (D): N 124.600 124.600 122.544 2.056 RESID 300 (D): C 173.400 173.400 175.637 -2.237 RESID 300 (D): CA 51.880 51.880 53.143 -1.263 RESID 300 (D): CB 43.230 43.230 42.644 0.586 RESID 300 (D): H 7.735 7.735 8.639 -0.904 RESID 301 (Y): N 118.100 118.100 121.432 -3.332 RESID 301 (Y): C 175.300 175.300 176.174 -0.874 RESID 301 (Y): CA 61.650 61.650 63.300 -1.650 RESID 301 (Y): CB 38.740 38.740 38.705 0.035 RESID 301 (Y): H 7.943 7.943 8.992 -1.049 RESID 302 (Y): N 112.300 112.300 115.513 -3.213 RESID 302 (Y): C 180.800 180.800 177.635 3.165 RESID 302 (Y): CA 61.970 61.970 60.964 1.006 RESID 302 (Y): CB 37.990 37.990 37.997 -0.007 RESID 302 (Y): H 7.309 7.309 8.130 -0.821 RESID 303 (S): N 119.100 119.100 115.656 3.444 RESID 303 (S): C 176.300 176.300 176.509 -0.209 RESID 303 (S): CA 60.690 60.690 61.502 -0.812 RESID 303 (S): CB 63.180 63.180 62.736 0.444 RESID 303 (S): H 9.411 9.411 9.425 -0.014 RESID 304 (A): N 126.900 126.900 125.467 1.433 RESID 304 (A): C 180.400 180.400 179.347 1.053 RESID 304 (A): CA 56.000 56.000 54.926 1.074 RESID 304 (A): CB 18.040 18.040 17.933 0.107 RESID 304 (A): H 8.860 8.860 7.867 0.993 RESID 305 (M): N 116.600 116.600 117.952 -1.352 RESID 305 (M): C 179.300 179.300 178.882 0.418 RESID 305 (M): CA 57.880 57.880 59.754 -1.874 RESID 305 (M): CB 31.350 31.350 32.380 -1.030 RESID 305 (M): H 7.346 7.346 7.496 -0.150 RESID 306 (Q): N 119.300 119.300 118.839 0.461 RESID 306 (Q): C 179.000 179.000 178.831 0.169 RESID 306 (Q): CA 59.410 59.410 58.885 0.525 RESID 306 (Q): CB 28.450 28.450 28.822 -0.372 RESID 306 (Q): H 7.633 7.633 7.775 -0.142 RESID 308 (L): C 178.700 178.700 178.484 0.216 RESID 308 (L): CA 58.690 58.690 58.429 0.261 RESID 308 (L): CB 41.790 41.790 41.381 0.409 RESID 309 (D): N 119.100 119.100 119.091 0.009 RESID 309 (D): C 179.600 179.600 178.886 0.714 RESID 309 (D): CA 57.830 57.830 57.562 0.268 RESID 309 (D): CB 40.820 40.820 40.328 0.492 RESID 309 (D): H 7.984 7.984 8.041 -0.057 RESID 310 (R): N 121.700 121.700 120.596 1.104 RESID 310 (R): C 178.900 178.900 178.733 0.167 RESID 310 (R): CA 58.590 58.590 59.193 -0.603 RESID 310 (R): CB 29.820 29.820 30.154 -0.334 RESID 310 (R): H 8.463 8.463 7.605 0.858 RESID 311 (L): N 119.200 119.200 119.934 -0.734 RESID 311 (L): C 178.800 178.800 178.725 0.075 RESID 311 (L): CA 58.380 58.380 58.114 0.266 RESID 311 (L): CB 42.340 42.340 41.846 0.494 RESID 311 (L): H 8.489 8.489 8.340 0.149 RESID 312 (K): N 116.500 116.500 118.744 -2.244 RESID 312 (K): C 178.000 178.000 178.410 -0.410 RESID 312 (K): CA 59.250 59.250 59.178 0.072 RESID 312 (K): CB 32.440 32.440 32.496 -0.056 RESID 312 (K): H 7.955 7.955 8.237 -0.282 RESID 313 (A): N 119.500 119.500 120.788 -1.288 RESID 313 (A): C 180.000 180.000 178.678 1.322 RESID 313 (A): CA 53.920 53.920 53.321 0.599 RESID 313 (A): CB 18.800 18.800 19.240 -0.440 RESID 313 (A): H 7.427 7.427 7.752 -0.325 RESID 314 (L): N 119.500 119.500 119.151 0.349 RESID 314 (L): C 177.400 177.400 176.458 0.942 RESID 314 (L): CA 56.770 56.770 57.234 -0.464 RESID 314 (L): CB 43.730 43.730 42.350 1.380 RESID 314 (L): H 7.431 7.431 8.123 -0.692 N HA C CA CB H RESID 26 (W): -3.466 ----- -0.877 0.335 3.236 0.253 RESID 27 (P): ----- ----- 0.001 -0.291 4.944 ----- RESID 28 (R): -3.828 ----- -1.397 0.730 0.760 0.069 RESID 29 (Q): -0.855 ----- 0.589 -1.260 1.443 -0.077 RESID 30 (I): -1.780 ----- 0.589 -0.915 -0.509 1.081 RESID 31 (T): 3.231 ----- 0.733 -1.296 1.048 0.591 RESID 32 (D): 5.650 ----- 1.337 0.813 -0.472 1.403 RESID 33 (S): -4.554 ----- -0.508 0.249 -0.353 -0.224 RESID 34 (R): -2.372 ----- -0.670 -3.669 0.216 0.464 RESID 35 (G): 5.171 ----- -2.249 -0.499 ----- -0.758 RESID 36 (T): 0.163 ----- 0.782 0.028 -0.090 0.584 RESID 37 (H): 0.491 ----- 0.722 -1.262 -2.038 0.364 RESID 38 (T): 4.529 ----- 1.398 2.115 -1.261 1.626 RESID 39 (L): 7.208 ----- 0.100 0.517 -0.924 0.462 RESID 40 (E): -1.604 ----- -0.320 0.291 0.489 0.136 RESID 41 (S): -1.822 ----- -1.482 -0.884 0.607 -0.155 RESID 42 (Q): 3.315 ----- -0.144 -2.029 0.561 -1.262 RESID 43 (P): ----- ----- -0.344 0.770 0.101 ----- RESID 44 (Q): 2.548 ----- -0.585 -1.488 2.852 2.634 RESID 45 (R): 8.270 ----- 0.487 0.094 -0.007 2.461 RESID 47 (V): ----- ----- 0.226 -0.262 -0.135 ----- RESID 48 (S): -2.218 ----- 2.026 -2.049 -1.686 -0.631 RESID 49 (T): 5.156 ----- -2.828 0.798 -0.228 -0.119 RESID 50 (S): -0.384 ----- -0.521 -1.964 0.154 -0.030 RESID 51 (V): 5.031 ----- -2.742 -0.394 -0.118 0.456 RESID 52 (T): 0.582 ----- 3.209 1.136 0.560 -0.129 RESID 53 (L): 1.083 ----- 0.316 -0.752 0.846 -0.553 RESID 54 (T): 1.786 ----- -1.730 -0.675 ----- -0.071 RESID 55 (G): -3.730 ----- -0.221 0.283 ----- -1.257 RESID 56 (S): -0.736 ----- -1.144 1.821 1.965 -1.241 RESID 58 (L): ----- ----- 1.778 -0.266 -0.110 ----- RESID 59 (A): -0.716 ----- -0.264 0.742 -0.335 -0.302 RESID 60 (I): ----- ----- -1.534 0.192 0.387 ----- RESID 61 (D): -2.504 ----- 0.227 0.059 -0.048 0.004 RESID 62 (A): -3.230 ----- 2.681 -0.857 -1.620 0.112 RESID 63 (P): ----- ----- -2.126 0.623 -4.704 ----- RESID 64 (V): 3.859 ----- -0.929 -1.471 -0.741 0.430 RESID 65 (I): -4.405 ----- 1.545 -3.017 1.270 0.258 RESID 66 (A): 4.238 ----- -0.126 0.682 1.443 -0.423 RESID 67 (S): -5.128 ----- 2.272 -2.069 -2.407 0.230 RESID 68 (G): 5.629 ----- -1.621 2.039 ----- -1.068 RESID 69 (A): -2.396 ----- 2.673 -0.834 2.397 -0.859 RESID 70 (T): 5.911 ----- -2.332 -2.715 1.036 0.970 RESID 71 (T): -5.148 ----- -0.439 0.131 1.544 -0.792 RESID 72 (P): ----- ----- 0.963 -0.184 0.715 ----- RESID 73 (N): -4.596 ----- -1.627 0.745 -1.468 -0.709 RESID 74 (N): ----- ----- -1.146 5.012 0.360 ----- RESID 75 (R): -6.295 ----- -0.159 1.078 1.040 -0.292 RESID 76 (V): -10.305 ----- 0.068 -2.917 2.037 -0.825 RESID 77 (A): 5.929 ----- -1.083 -1.043 5.113 0.724 RESID 78 (D): 1.794 ----- 2.212 -0.944 0.363 0.432 RESID 79 (D): 0.875 ----- 0.283 1.058 0.870 -0.165 RESID 80 (Q): -4.351 ----- -1.184 -1.529 2.393 -0.177 RESID 81 (G): -0.009 ----- 0.855 0.949 ----- -0.647 RESID 82 (F): 0.605 ----- -0.430 -4.243 -2.626 0.303 RESID 83 (L): ----- ----- 0.974 0.350 -3.483 ----- RESID 84 (R): 0.352 ----- 0.774 3.491 1.649 -0.687 RESID 85 (Q): -2.590 ----- -2.664 0.219 -3.180 1.873 RESID 86 (W): -6.529 ----- -1.785 -5.088 -2.067 -1.951 RESID 87 (S): 3.765 ----- 1.459 0.569 ----- -1.278 RESID 88 (K): -3.947 ----- 0.182 0.473 -0.092 0.984 RESID 89 (V): 6.321 ----- 0.798 0.079 0.500 -0.722 RESID 90 (A): -0.412 ----- 1.090 1.369 1.441 0.684 RESID 91 (K): -0.404 ----- 3.030 1.006 -0.000 -0.243 RESID 92 (E): 5.036 ----- 1.512 2.304 -0.651 0.485 RESID 93 (R): -3.154 ----- 0.311 0.792 -1.509 -0.268 RESID 94 (K): 1.016 ----- 0.563 -0.663 -1.507 -0.673 RESID 95 (L): -1.816 ----- 0.348 0.900 1.163 0.043 RESID 96 (Q): 0.603 ----- -1.201 0.687 0.269 -0.883 RESID 97 (R): 6.416 ----- 0.589 -0.991 1.614 0.497 RESID 98 (L): 3.447 ----- -0.424 2.410 3.341 -0.439 RESID 99 (Y): -2.043 ----- -1.390 -0.823 -1.010 -1.358 RESID 100 (I): -6.172 ----- -0.355 -1.822 3.595 0.101 RESID 101 (G): 0.868 ----- -0.684 2.207 ----- -0.251 RESID 102 (E): 10.930 ----- -0.771 0.471 2.039 0.290 RESID 103 (P): ----- ----- -0.836 -1.383 -0.093 ----- RESID 104 (S): -5.193 ----- 0.167 -3.169 -0.065 -2.564 RESID 105 (A): 0.243 ----- 0.349 0.756 -0.905 0.331 RESID 106 (E): 0.346 ----- 0.438 1.239 -0.476 0.151 RESID 107 (A): -0.516 ----- 0.362 -0.289 0.782 -0.155 RESID 108 (V): -1.945 ----- -0.805 0.957 -0.302 -0.499 RESID 109 (A): -1.421 ----- 1.876 0.626 -0.140 0.148 RESID 110 (A): -0.757 ----- 0.260 -0.246 -0.027 -0.330 RESID 111 (Q): -1.075 ----- -1.051 0.898 -0.187 -0.288 RESID 112 (M): -6.120 ----- 0.067 0.367 -1.437 -0.057 RESID 113 (P): ----- ----- 0.456 0.213 0.394 ----- RESID 114 (D): -2.211 ----- -0.077 -2.082 -1.852 0.625 RESID 115 (L): ----- ----- 0.609 -1.392 ----- ----- RESID 116 (I): -2.833 ----- ----- -0.089 ----- 1.338 RESID 118 (I): ----- ----- -0.983 0.432 1.004 ----- RESID 119 (S): 0.354 ----- 0.582 -0.590 0.687 1.022 RESID 120 (A): 1.476 ----- -0.503 -0.051 1.513 -0.517 RESID 121 (T): -4.092 ----- -0.139 -2.450 1.594 -0.219 RESID 122 (G): -6.552 ----- 3.059 -0.756 ----- 0.156 RESID 123 (G): ----- ----- -0.216 1.040 ----- ----- RESID 124 (D): -2.427 ----- 0.975 -0.589 0.058 0.825 RESID 125 (S): -4.096 ----- 1.659 0.058 0.141 -1.106 RESID 126 (A): 4.727 ----- -1.957 -2.346 -2.237 0.246 RESID 127 (L): -0.004 ----- 0.553 1.455 1.232 -0.796 RESID 128 (A): 3.419 ----- 0.728 0.822 -0.491 1.297 RESID 129 (L): 0.485 ----- -0.906 -1.284 -0.367 0.355 RESID 130 (Y): -0.879 ----- 0.300 1.529 1.041 -1.108 RESID 131 (D): 1.177 ----- -0.110 0.611 0.301 0.910 RESID 132 (Q): -1.026 ----- 0.272 0.173 0.578 -0.149 RESID 133 (L): -0.326 ----- -0.714 0.331 -0.815 -0.467 RESID 134 (S): -3.199 ----- -0.490 0.325 0.788 -0.339 RESID 135 (T): -5.236 ----- -1.160 -2.038 0.656 -0.627 RESID 136 (I): 3.965 ----- 0.238 -0.044 0.348 0.419 RESID 137 (A): 1.935 ----- -1.616 -0.149 -0.129 -0.478 RESID 138 (P): ----- ----- -1.519 1.207 0.034 ----- RESID 139 (T): 1.964 ----- -0.089 -1.582 1.877 -0.172 RESID 140 (L): ----- ----- 0.599 -0.793 0.708 ----- RESID 141 (I): -2.153 ----- 0.422 -0.943 1.120 1.326 RESID 142 (I): 0.513 ----- 0.270 -1.990 -2.427 -0.004 RESID 143 (N): 4.855 ----- 0.456 -1.871 0.115 0.739 RESID 144 (Y): -6.272 ----- 1.619 -4.057 -0.103 0.087 RESID 145 (D): 1.066 ----- 1.722 -0.335 3.194 0.451 RESID 146 (D): 3.917 ----- -0.040 -0.390 -1.729 -1.044 RESID 147 (K): -5.768 ----- -0.281 -1.565 -1.728 -0.559 RESID 148 (S): -0.502 ----- -0.369 -0.065 0.662 0.224 RESID 149 (W): 1.826 ----- 2.053 1.316 -0.739 -0.117 RESID 150 (Q): 3.178 ----- 0.268 3.365 -1.164 1.619 RESID 151 (S): 1.182 ----- 0.577 0.586 0.706 0.005 RESID 152 (L): 2.495 ----- 0.551 0.395 0.296 0.084 RESID 153 (L): 0.566 ----- 1.040 1.432 -0.097 0.922 RESID 154 (T): 3.503 ----- 0.310 1.307 0.531 0.160 RESID 155 (Q): 3.495 ----- 1.176 1.369 0.263 0.311 RESID 156 (L): ----- ----- 1.633 0.622 -0.122 ----- RESID 157 (G): 5.792 ----- -0.556 1.793 ----- 1.211 RESID 158 (E): 4.825 ----- 0.642 1.246 0.310 0.021 RESID 160 (T): ----- ----- 2.315 -1.199 2.611 ----- RESID 161 (G): -0.248 ----- 0.459 1.247 ----- -0.879 RESID 162 (H): 4.970 ----- -2.151 -0.469 -2.998 0.673 RESID 163 (E): 1.735 ----- 2.333 1.407 -0.434 1.530 RESID 164 (K): 0.234 ----- -0.095 -0.457 0.308 0.397 RESID 165 (Q): 2.186 ----- 0.665 2.035 -0.268 -0.482 RESID 166 (A): -1.348 ----- -1.426 1.323 0.223 -0.187 RESID 167 (A): -3.111 ----- 1.539 -0.217 -0.195 -1.022 RESID 168 (E): 1.536 ----- 0.467 -0.009 0.454 0.326 RESID 170 (I): ----- ----- 0.006 1.582 1.357 ----- RESID 171 (A): -2.474 ----- 1.367 -0.350 0.146 -0.786 RESID 172 (Q): 2.569 ----- 0.620 0.704 -0.256 0.641 RESID 173 (F): -0.117 ----- -0.998 1.607 0.367 -0.289 RESID 174 (D): 0.887 ----- 1.417 0.541 -0.089 -0.262 RESID 175 (K): 1.094 ----- 1.165 -0.003 0.315 -0.070 RESID 176 (Q): 2.089 ----- 0.768 -0.478 -0.534 0.345 RESID 177 (L): 6.007 ----- -0.265 2.653 -0.156 1.204 RESID 178 (A): -1.067 ----- 1.372 0.191 0.091 -0.539 RESID 179 (A): -0.772 ----- 0.723 0.345 -0.410 0.055 RESID 180 (A): -0.024 ----- 0.093 0.752 -0.279 0.183 RESID 181 (K): 0.095 ----- -0.096 0.597 0.700 0.005 RESID 182 (E): -2.129 ----- -0.136 0.733 1.087 -0.567 RESID 183 (Q): -0.687 ----- 1.022 0.232 0.406 -0.189 RESID 184 (I): 1.930 ----- 0.959 3.253 0.337 0.286 RESID 185 (K): 4.739 ----- -0.026 -0.571 -2.905 0.831 RESID 186 (L): -1.035 ----- -0.212 2.361 0.387 -0.428 RESID 188 (P): ----- ----- -1.460 1.482 1.020 ----- RESID 189 (Q): 0.201 ----- 1.876 -2.399 0.978 -0.165 RESID 190 (P): ----- ----- -0.051 0.348 2.632 ----- RESID 191 (V): -8.980 ----- 0.332 0.219 0.331 0.667 RESID 192 (T): 7.330 ----- 0.212 3.507 0.293 0.138 RESID 193 (A): 9.914 ----- -0.003 -0.556 -0.296 1.609 RESID 194 (I): -2.088 ----- 2.901 -0.461 1.815 0.747 RESID 195 (V): -4.303 ----- 2.134 1.805 0.133 -0.158 RESID 196 (Y): 2.726 ----- 0.554 -0.414 1.059 1.007 RESID 197 (T): 1.468 ----- 0.934 0.111 -3.034 0.429 RESID 198 (A): -0.306 ----- 1.193 1.160 0.085 -0.324 RESID 199 (A): -4.794 ----- -1.018 -0.502 0.407 0.298 RESID 200 (A): -3.833 ----- -0.650 -0.791 1.325 -1.457 RESID 201 (H): 0.391 ----- -0.502 0.377 -0.430 -0.209 RESID 202 (S): -3.944 ----- 0.041 -1.062 -0.139 -0.697 RESID 203 (A): -2.983 ----- -0.385 -0.531 2.301 0.314 RESID 204 (N): 0.054 ----- -0.151 -0.548 -2.090 0.106 RESID 205 (L): 5.498 ----- 0.138 0.861 1.503 1.658 RESID 206 (W): 1.661 ----- 0.655 -0.738 -1.140 0.640 RESID 207 (T): 1.783 ----- 2.813 0.886 -1.864 -0.112 RESID 208 (P): ----- ----- -0.859 0.718 -0.219 ----- RESID 209 (E): -2.723 ----- 0.284 0.059 -0.388 -0.357 RESID 210 (S): 0.715 ----- -1.645 -1.131 2.837 0.219 RESID 211 (A): -2.165 ----- 0.737 0.077 -0.247 -0.174 RESID 212 (Q): 0.566 ----- -0.920 2.439 -0.338 0.004 RESID 213 (G): -0.154 ----- -0.918 0.684 ----- -0.251 RESID 214 (Q): -0.759 ----- 0.611 0.290 0.416 0.426 RESID 215 (M): -1.435 ----- -0.377 0.110 -0.798 -0.285 RESID 216 (L): -3.003 ----- 0.864 0.514 -1.452 -0.456 RESID 217 (E): 1.328 ----- 2.964 1.285 -0.271 0.212 RESID 218 (Q): 5.244 ----- -0.762 0.978 -0.281 0.542 RESID 219 (L): 0.708 ----- -2.246 -1.326 1.461 -0.321 RESID 220 (G): 1.917 ----- 1.759 0.068 ----- -0.380 RESID 221 (F): 0.149 ----- 0.854 1.939 -3.837 0.225 RESID 222 (T): 1.597 ----- 0.517 0.582 1.588 0.397 RESID 223 (L): 1.194 ----- 1.661 1.352 -1.143 1.060 RESID 224 (A): -1.261 ----- 1.545 1.478 -2.189 0.974 RESID 225 (K): 2.194 ----- 0.608 0.019 0.175 0.236 RESID 226 (L): -1.819 ----- -0.108 -0.521 0.475 0.113 RESID 227 (P): ----- ----- -0.265 -0.031 0.173 ----- RESID 228 (A): 0.075 ----- 1.030 0.720 0.008 -0.098 RESID 229 (G): 0.213 ----- -1.001 0.609 ----- 0.472 RESID 230 (L): -1.246 ----- -1.440 0.085 0.942 -0.429 RESID 231 (N): -0.431 ----- -0.605 -2.490 0.941 0.180 RESID 232 (A): 4.945 ----- 0.056 1.426 1.303 0.173 RESID 233 (S): -0.074 ----- -0.482 -1.771 0.941 -0.269 RESID 234 (Q): 1.534 ----- 0.693 0.165 -1.301 0.447 RESID 235 (S): -0.985 ----- 0.253 0.032 1.623 -0.209 RESID 236 (Q): -4.820 ----- 1.262 1.110 1.648 -0.486 RESID 237 (G): 1.361 ----- 1.142 0.248 ----- 0.796 RESID 238 (K): -0.984 ----- 1.111 0.486 0.551 -0.392 RESID 239 (R): -4.078 ----- ----- 0.189 0.654 -0.340 RESID 240 (H): ----- ----- -1.724 -2.876 -0.308 ----- RESID 241 (D): 0.572 ----- -1.574 -0.493 -0.672 0.659 RESID 242 (I): 0.207 ----- 1.216 -0.309 2.763 -0.318 RESID 243 (I): -0.980 ----- 1.035 -0.293 2.902 0.218 RESID 244 (Q): 0.870 ----- 1.049 1.534 0.007 0.174 RESID 245 (L): 1.989 ----- -0.406 0.675 0.246 0.293 RESID 246 (G): 4.639 ----- -0.126 -0.444 ----- -0.018 RESID 247 (G): -0.158 ----- 1.823 3.143 ----- 0.931 RESID 248 (E): 2.555 ----- 0.779 1.062 0.103 0.456 RESID 249 (N): 0.237 ----- -0.501 -0.165 0.650 0.335 RESID 250 (L): 1.179 ----- -0.999 1.795 0.753 -0.685 RESID 251 (A): -5.015 ----- 1.335 0.683 -0.428 -0.171 RESID 252 (A): -1.178 ----- 0.780 1.605 0.006 -1.034 RESID 253 (G): -7.307 ----- -2.096 0.359 ----- 0.036 RESID 254 (L): 1.958 ----- -2.286 -1.849 -3.022 -0.586 RESID 255 (N): -7.700 ----- 0.343 -0.560 -1.220 -1.140 RESID 256 (G): 2.470 ----- -2.374 0.448 ----- -0.699 RESID 257 (E): 1.392 ----- 1.519 1.241 -0.716 -0.169 RESID 258 (S): -6.483 ----- -0.019 -0.771 2.859 -0.846 RESID 259 (L): -2.935 ----- -2.468 -0.789 3.992 0.939 RESID 260 (F): 0.651 ----- -1.830 1.489 1.104 1.146 RESID 261 (L): 3.724 ----- 0.498 0.824 -4.040 0.860 RESID 262 (F): 1.508 ----- -0.328 1.832 1.440 0.218 RESID 263 (A): -2.226 ----- -1.724 0.994 2.889 0.613 RESID 264 (G): -7.089 ----- -1.629 0.477 ----- -1.135 RESID 265 (D): -0.370 ----- 0.031 -1.116 0.582 0.942 RESID 266 (Q): -1.202 ----- 0.140 -0.448 -0.158 -0.329 RESID 267 (K): -1.082 ----- 2.309 -0.163 -0.348 -0.044 RESID 268 (D): 1.950 ----- -0.940 1.002 1.299 -0.481 RESID 269 (A): 0.220 ----- 0.577 0.714 -0.704 -0.249 RESID 270 (D): 0.218 ----- 2.788 1.269 -0.388 0.772 RESID 271 (A): 3.000 ----- 1.478 1.478 -1.017 0.549 RESID 272 (I): -120.467 ----- 1.349 -0.776 -2.416 -1.063 RESID 273 (Y): -0.677 ----- 0.226 2.796 1.929 0.218 RESID 274 (A): -3.223 ----- 0.016 -0.970 0.160 -0.331 RESID 275 (N): 1.657 ----- 1.687 -0.333 1.561 -0.757 RESID 276 (P): ----- ----- 0.402 -0.274 0.399 ----- RESID 277 (L): -0.719 ----- -0.911 -0.920 0.214 -0.150 RESID 278 (L): -1.487 ----- -1.273 -1.740 -0.345 -0.195 RESID 279 (A): -4.496 ----- -0.106 0.720 1.109 -1.240 RESID 280 (H): -3.683 ----- 0.293 -0.898 0.899 0.140 RESID 281 (L): 1.594 ----- 0.431 0.368 -1.459 -0.156 RESID 282 (P): ----- ----- -0.178 0.369 0.427 ----- RESID 283 (A): -3.222 ----- -0.845 0.441 1.305 -0.455 RESID 284 (V): -3.297 ----- 1.075 -0.247 1.738 -1.123 RESID 285 (Q): 0.765 ----- 0.346 0.703 0.471 0.769 RESID 286 (N): -1.379 ----- 0.646 0.438 -0.355 0.072 RESID 287 (K): 2.547 ----- -0.118 0.236 -0.971 0.038 RESID 288 (Q): 2.560 ----- -0.373 -1.861 -0.355 0.476 RESID 289 (V): 0.625 ----- 0.098 0.542 -1.218 -0.659 RESID 290 (Y): 1.355 ----- -0.383 0.301 -1.420 -0.424 RESID 291 (A): 4.877 ----- 1.606 1.167 -1.585 0.403 RESID 292 (L): 1.029 ----- -0.734 0.636 0.216 -0.587 RESID 293 (G): 3.641 ----- 3.517 0.674 ----- 0.588 RESID 294 (T): 1.068 ----- 0.387 0.060 -0.854 0.236 RESID 295 (E): 2.174 ----- 1.118 0.237 0.237 1.538 RESID 296 (T): -5.618 ----- -0.706 1.105 1.413 -0.847 RESID 297 (F): -1.548 ----- -1.360 0.654 -0.139 0.305 RESID 298 (R): -2.963 ----- 0.907 -1.594 1.361 -0.705 RESID 299 (L): -1.155 ----- 0.448 0.277 -2.275 0.530 RESID 300 (D): 2.056 ----- -2.237 -1.263 0.586 -0.904 RESID 301 (Y): -3.332 ----- -0.874 -1.650 0.035 -1.049 RESID 302 (Y): -3.213 ----- 3.165 1.006 -0.007 -0.821 RESID 303 (S): 3.444 ----- -0.209 -0.812 0.444 -0.014 RESID 304 (A): 1.433 ----- 1.053 1.074 0.107 0.993 RESID 305 (M): -1.352 ----- 0.418 -1.874 -1.030 -0.150 RESID 306 (Q): 0.461 ----- 0.169 0.525 -0.372 -0.142 RESID 308 (L): ----- ----- 0.216 0.261 0.409 ----- RESID 309 (D): 0.009 ----- 0.714 0.268 0.492 -0.057 RESID 310 (R): 1.104 ----- 0.167 -0.603 -0.334 0.858 RESID 311 (L): -0.734 ----- 0.075 0.266 0.494 0.149 RESID 312 (K): -2.244 ----- -0.410 0.072 -0.056 -0.282 RESID 313 (A): -1.288 ----- 1.322 0.599 -0.440 -0.325 RESID 314 (L): 0.349 ----- 0.942 -0.464 1.380 -0.692 DATA CS_STAT_INFO N RMS: 8.235 ppm Count: 256 Average Difference: 0.477 +/- 8.237 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.217 ppm Count: 281 Average Difference: -0.159 +/- 1.209 ppm DATA CS_STAT_INFO CA RMS: 1.342 ppm Count: 283 Average Difference: -0.100 +/- 1.341 ppm DATA CS_STAT_INFO CB RMS: 1.426 ppm Count: 260 Average Difference: -0.163 +/- 1.419 ppm DATA CS_STAT_INFO HN RMS: 0.717 ppm Count: 256 Average Difference: -0.022 +/- 0.718 ppm ############################################################################ For conformer 15: Atom Original Corrected SPARTA Difference RESID 25 (D): N 120.600 120.600 120.755 -0.155 RESID 25 (D): C 174.400 174.400 175.915 -1.515 RESID 25 (D): CA 55.230 55.230 53.102 2.128 RESID 25 (D): CB 41.340 41.340 41.936 -0.596 RESID 25 (D): H 8.275 8.275 8.223 0.052 RESID 26 (W): N 120.100 120.100 123.483 -3.383 RESID 26 (W): C 174.200 174.200 175.074 -0.874 RESID 26 (W): CA 55.330 55.330 54.932 0.398 RESID 26 (W): CB 31.090 31.090 27.818 3.272 RESID 26 (W): H 7.788 7.788 7.669 0.119 RESID 27 (P): C 175.900 175.900 175.905 -0.005 RESID 27 (P): CA 62.800 62.800 63.098 -0.298 RESID 27 (P): CB 37.260 37.260 32.322 4.938 RESID 28 (R): N 118.000 118.000 121.847 -3.847 RESID 28 (R): C 173.700 173.700 175.093 -1.393 RESID 28 (R): CA 55.160 55.160 54.429 0.731 RESID 28 (R): CB 33.430 33.430 32.672 0.758 RESID 28 (R): H 8.686 8.686 8.616 0.070 RESID 29 (Q): N 120.800 120.800 121.629 -0.829 RESID 29 (Q): C 175.500 175.500 174.909 0.591 RESID 29 (Q): CA 54.780 54.780 56.038 -1.258 RESID 29 (Q): CB 30.700 30.700 29.255 1.445 RESID 29 (Q): H 8.506 8.506 8.582 -0.076 RESID 30 (I): N 124.300 124.300 126.091 -1.791 RESID 30 (I): C 175.700 175.700 175.107 0.593 RESID 30 (I): CA 58.520 58.520 59.445 -0.925 RESID 30 (I): CB 40.680 40.680 41.173 -0.493 RESID 30 (I): H 9.002 9.002 7.920 1.082 RESID 31 (T): N 125.200 125.200 121.986 3.214 RESID 31 (T): C 174.400 174.400 173.671 0.729 RESID 31 (T): CA 62.150 62.150 63.461 -1.311 RESID 31 (T): CB 70.640 70.640 69.587 1.053 RESID 31 (T): H 8.989 8.989 8.402 0.587 RESID 32 (D): N 129.500 129.500 123.861 5.639 RESID 32 (D): C 177.400 177.400 175.997 1.403 RESID 32 (D): CA 52.630 52.630 51.813 0.817 RESID 32 (D): CB 42.950 42.950 43.435 -0.485 RESID 32 (D): H 9.389 9.389 7.987 1.402 RESID 33 (S): N 111.900 111.900 116.334 -4.434 RESID 33 (S): C 175.600 175.600 176.152 -0.552 RESID 33 (S): CA 60.920 60.920 60.540 0.380 RESID 33 (S): CB 63.430 63.430 63.812 -0.382 RESID 33 (S): H 8.075 8.075 8.291 -0.216 RESID 34 (R): N 120.600 120.600 122.982 -2.382 RESID 34 (R): C 176.100 176.100 176.735 -0.635 RESID 34 (R): CA 55.020 55.020 58.681 -3.660 RESID 34 (R): CB 30.850 30.850 30.665 0.185 RESID 34 (R): H 8.433 8.433 7.960 0.473 RESID 35 (G): N 108.900 108.900 103.744 5.156 RESID 35 (G): C 171.200 171.200 173.452 -2.252 RESID 35 (G): CA 45.060 45.060 45.561 -0.501 RESID 35 (G): H 7.837 7.837 8.594 -0.757 RESID 36 (T): N 116.300 116.300 116.158 0.142 RESID 36 (T): C 173.800 173.800 173.019 0.781 RESID 36 (T): CA 62.670 62.670 62.645 0.025 RESID 36 (T): CB 70.000 70.000 70.091 -0.091 RESID 36 (T): H 8.192 8.192 7.609 0.583 RESID 37 (H): N 125.800 125.800 125.321 0.479 RESID 37 (H): C 174.000 174.000 173.277 0.723 RESID 37 (H): CA 54.060 54.060 55.330 -1.270 RESID 37 (H): CB 31.020 31.020 33.045 -2.025 RESID 37 (H): H 8.986 8.986 8.625 0.361 RESID 38 (T): N 121.500 121.500 117.013 4.487 RESID 38 (T): C 174.200 174.200 172.801 1.399 RESID 38 (T): CA 63.190 63.190 61.070 2.120 RESID 38 (T): CB 70.080 70.080 71.331 -1.251 RESID 38 (T): H 9.101 9.101 7.483 1.618 RESID 39 (L): N 129.600 129.600 122.379 7.221 RESID 39 (L): C 176.900 176.900 176.801 0.099 RESID 39 (L): CA 53.990 53.990 53.472 0.518 RESID 39 (L): CB 43.160 43.160 44.081 -0.921 RESID 39 (L): H 9.145 9.145 8.675 0.470 RESID 40 (E): N 124.300 124.300 125.955 -1.655 RESID 40 (E): C 175.600 175.600 175.916 -0.316 RESID 40 (E): CA 59.420 59.420 59.109 0.311 RESID 40 (E): CB 30.710 30.710 30.224 0.486 RESID 40 (E): H 9.164 9.164 9.029 0.135 RESID 41 (S): N 108.300 108.300 110.121 -1.821 RESID 41 (S): C 171.700 171.700 173.178 -1.478 RESID 41 (S): CA 56.270 56.270 57.169 -0.899 RESID 41 (S): CB 65.420 65.420 64.821 0.599 RESID 41 (S): H 7.326 7.326 7.481 -0.155 RESID 42 (Q): N 123.900 123.900 120.606 3.294 RESID 42 (Q): C 174.600 174.600 174.752 -0.152 RESID 42 (Q): CA 53.730 53.730 55.745 -2.015 RESID 42 (Q): CB 28.470 28.470 27.918 0.552 RESID 42 (Q): H 7.339 7.339 8.607 -1.268 RESID 43 (P): C 176.300 176.300 176.479 -0.179 RESID 43 (P): CA 64.080 64.080 63.364 0.716 RESID 43 (P): CB 32.510 32.510 32.410 0.100 RESID 44 (Q): N 125.100 125.100 122.479 2.621 RESID 44 (Q): C 175.400 175.400 176.018 -0.618 RESID 44 (Q): CA 55.780 55.780 57.277 -1.497 RESID 44 (Q): CB 32.660 32.660 29.846 2.814 RESID 44 (Q): H 11.160 11.160 8.553 2.607 RESID 45 (R): N 125.700 125.700 117.363 8.337 RESID 45 (R): C 174.600 174.600 174.093 0.507 RESID 45 (R): CA 55.310 55.310 55.194 0.116 RESID 45 (R): CB 33.070 33.070 33.200 -0.130 RESID 45 (R): H 10.010 10.010 7.537 2.473 RESID 47 (V): C 174.700 174.700 174.363 0.337 RESID 47 (V): CA 60.970 60.970 61.240 -0.270 RESID 47 (V): CB 34.140 34.140 34.278 -0.138 RESID 48 (S): N 118.300 118.300 120.351 -2.051 RESID 48 (S): C 175.500 175.500 173.392 2.108 RESID 48 (S): CA 55.700 55.700 57.468 -1.768 RESID 48 (S): CB 64.750 64.750 65.868 -1.118 RESID 48 (S): H 7.852 7.852 8.449 -0.597 RESID 49 (T): N 116.800 116.800 111.581 5.219 RESID 49 (T): C 171.500 171.500 174.276 -2.776 RESID 49 (T): CA 62.400 62.400 61.489 0.911 RESID 49 (T): CB 69.320 69.320 69.555 -0.235 RESID 49 (T): H 8.283 8.283 8.384 -0.101 RESID 50 (S): N 116.200 116.200 116.673 -0.473 RESID 50 (S): C 174.600 174.600 175.165 -0.565 RESID 50 (S): CA 54.640 54.640 56.660 -2.020 RESID 50 (S): CB 64.000 64.000 64.023 -0.023 RESID 50 (S): H 7.627 7.627 7.736 -0.109 RESID 51 (V): N 134.300 134.300 129.390 4.910 RESID 51 (V): C 175.100 175.100 177.902 -2.802 RESID 51 (V): CA 65.620 65.620 65.930 -0.310 RESID 51 (V): CB 31.790 31.790 31.891 -0.101 RESID 51 (V): H 9.218 9.218 9.041 0.177 RESID 52 (T): N 117.000 117.000 116.441 0.559 RESID 52 (T): C 179.700 179.700 176.472 3.228 RESID 52 (T): CA 67.390 67.390 66.523 0.867 RESID 52 (T): CB 69.130 69.130 68.864 0.266 RESID 52 (T): H 7.841 7.841 7.967 -0.126 RESID 53 (L): N 123.400 123.400 122.287 1.113 RESID 53 (L): C 178.700 178.700 178.255 0.445 RESID 53 (L): CA 57.460 57.460 58.157 -0.697 RESID 53 (L): CB 42.610 42.610 41.777 0.833 RESID 53 (L): H 8.092 8.092 8.603 -0.511 RESID 54 (T): N 117.500 117.500 115.736 1.764 RESID 54 (T): C 174.900 174.900 176.636 -1.736 RESID 54 (T): CA 67.070 67.070 67.730 -0.660 RESID 54 (T): H 8.039 8.039 8.114 -0.075 RESID 55 (G): N 105.500 105.500 109.200 -3.700 RESID 55 (G): C 175.600 175.600 175.791 -0.191 RESID 55 (G): CA 47.260 47.260 46.963 0.297 RESID 55 (G): H 6.591 6.591 7.855 -1.264 RESID 56 (S): N 117.000 117.000 117.766 -0.766 RESID 56 (S): C 175.600 175.600 176.758 -1.158 RESID 56 (S): CA 63.400 63.400 61.482 1.918 RESID 56 (S): CB 65.060 65.060 63.093 1.967 RESID 56 (S): H 6.709 6.709 7.949 -1.240 RESID 58 (L): C 181.200 181.200 179.424 1.776 RESID 58 (L): CA 57.480 57.480 57.766 -0.286 RESID 58 (L): CB 40.810 40.810 40.935 -0.126 RESID 59 (A): N 122.100 122.100 122.837 -0.737 RESID 59 (A): C 178.500 178.500 178.790 -0.290 RESID 59 (A): CA 55.540 55.540 54.794 0.746 RESID 59 (A): CB 18.440 18.440 18.765 -0.325 RESID 59 (A): H 7.797 7.797 8.093 -0.296 RESID 60 (I): C 172.700 172.700 174.236 -1.536 RESID 60 (I): CA 60.390 60.390 60.210 0.180 RESID 60 (I): CB 37.930 37.930 37.525 0.405 RESID 61 (D): N 116.200 116.200 118.629 -2.429 RESID 61 (D): C 174.800 174.800 174.571 0.229 RESID 61 (D): CA 55.850 55.850 55.796 0.054 RESID 61 (D): CB 38.930 38.930 38.971 -0.041 RESID 61 (D): H 7.736 7.736 7.730 0.006 RESID 62 (A): N 118.900 118.900 122.222 -3.322 RESID 62 (A): C 176.800 176.800 174.179 2.621 RESID 62 (A): CA 50.040 50.040 51.139 -1.099 RESID 62 (A): CB 17.940 17.940 19.658 -1.718 RESID 62 (A): H 7.820 7.820 7.658 0.162 RESID 63 (P): C 173.600 173.600 175.765 -2.165 RESID 63 (P): CA 63.250 63.250 62.806 0.444 RESID 63 (P): CB 27.640 27.640 32.532 -4.892 RESID 64 (V): N 123.100 123.100 119.104 3.996 RESID 64 (V): C 174.800 174.800 175.728 -0.928 RESID 64 (V): CA 58.420 58.420 59.875 -1.455 RESID 64 (V): CB 33.300 33.300 34.073 -0.773 RESID 64 (V): H 8.299 8.299 7.870 0.429 RESID 65 (I): N 122.000 122.000 126.359 -4.359 RESID 65 (I): C 177.100 177.100 175.563 1.537 RESID 65 (I): CA 61.010 61.010 64.032 -3.022 RESID 65 (I): CB 39.480 39.480 38.212 1.268 RESID 65 (I): H 8.589 8.589 8.330 0.259 RESID 66 (A): N 120.700 120.700 116.482 4.218 RESID 66 (A): C 175.100 175.100 175.235 -0.135 RESID 66 (A): CA 51.300 51.300 50.616 0.684 RESID 66 (A): CB 22.980 22.980 21.530 1.450 RESID 66 (A): H 7.246 7.246 7.681 -0.435 RESID 67 (S): N 111.700 111.700 116.820 -5.120 RESID 67 (S): C 176.500 176.500 174.218 2.282 RESID 67 (S): CA 55.230 55.230 57.305 -2.075 RESID 67 (S): CB 65.300 65.300 67.711 -2.411 RESID 67 (S): H 8.561 8.561 8.329 0.232 RESID 68 (G): N 112.900 112.900 107.254 5.646 RESID 68 (G): C 171.000 171.000 172.612 -1.612 RESID 68 (G): CA 46.580 46.580 44.521 2.059 RESID 68 (G): H 7.604 7.604 8.667 -1.063 RESID 69 (A): N 122.300 122.300 125.973 -3.673 RESID 69 (A): C 177.900 177.900 175.232 2.668 RESID 69 (A): CA 51.280 51.280 52.453 -1.173 RESID 69 (A): CB 23.440 23.440 21.375 2.065 RESID 69 (A): H 7.402 7.402 8.227 -0.825 RESID 70 (T): N 119.600 119.600 114.172 5.428 RESID 70 (T): C 171.400 171.400 174.133 -2.733 RESID 70 (T): CA 58.150 58.150 61.301 -3.151 RESID 70 (T): CB 70.880 70.880 69.760 1.120 RESID 70 (T): H 9.171 9.171 8.160 1.011 RESID 71 (T): N 116.500 116.500 121.893 -5.393 RESID 71 (T): C 172.500 172.500 172.924 -0.424 RESID 71 (T): CA 61.680 61.680 61.633 0.047 RESID 71 (T): CB 70.490 70.490 68.933 1.557 RESID 71 (T): H 7.663 7.663 8.469 -0.806 RESID 72 (P): C 177.100 177.100 176.134 0.966 RESID 72 (P): CA 63.390 63.390 63.578 -0.188 RESID 72 (P): CB 32.940 32.940 32.228 0.712 RESID 73 (N): N 115.200 115.200 119.605 -4.405 RESID 73 (N): C 174.600 174.600 176.216 -1.616 RESID 73 (N): CA 54.570 54.570 53.847 0.723 RESID 73 (N): CB 37.020 37.020 38.465 -1.445 RESID 73 (N): H 7.990 7.990 8.691 -0.701 RESID 74 (N): C 175.800 175.800 176.948 -1.148 RESID 74 (N): CA 60.660 60.660 55.647 5.013 RESID 74 (N): CB 38.070 38.070 37.717 0.353 RESID 75 (R): N 114.600 114.600 120.893 -6.293 RESID 75 (R): C 177.400 177.400 177.555 -0.155 RESID 75 (R): CA 59.940 59.940 58.866 1.074 RESID 75 (R): CB 31.110 31.110 30.068 1.042 RESID 75 (R): H 8.049 8.049 8.340 -0.291 RESID 76 (V): N 107.100 107.100 117.404 -10.304 RESID 76 (V): C 176.000 176.000 175.937 0.063 RESID 76 (V): CA 61.110 61.110 64.028 -2.918 RESID 76 (V): CB 33.590 33.590 31.553 2.037 RESID 76 (V): H 7.356 7.356 8.183 -0.827 RESID 77 (A): N 126.900 126.900 120.989 5.911 RESID 77 (A): C 176.500 176.500 177.576 -1.076 RESID 77 (A): CA 51.390 51.390 52.421 -1.031 RESID 77 (A): CB 24.260 24.260 19.147 5.113 RESID 77 (A): H 7.873 7.873 7.149 0.724 RESID 78 (D): N 118.700 118.700 116.899 1.801 RESID 78 (D): C 178.100 178.100 175.881 2.219 RESID 78 (D): CA 51.970 51.970 52.909 -0.939 RESID 78 (D): CB 41.360 41.360 40.997 0.363 RESID 78 (D): H 8.607 8.607 8.175 0.432 RESID 79 (D): N 116.600 116.600 115.735 0.865 RESID 79 (D): C 176.400 176.400 176.119 0.281 RESID 79 (D): CA 56.030 56.030 54.972 1.058 RESID 79 (D): CB 40.100 40.100 39.245 0.855 RESID 79 (D): H 8.258 8.258 8.422 -0.164 RESID 80 (Q): N 117.200 117.200 121.583 -4.383 RESID 80 (Q): C 175.700 175.700 176.879 -1.179 RESID 80 (Q): CA 54.970 54.970 56.483 -1.513 RESID 80 (Q): CB 30.840 30.840 28.450 2.390 RESID 80 (Q): H 8.160 8.160 8.333 -0.173 RESID 81 (G): N 105.300 105.300 105.303 -0.003 RESID 81 (G): C 174.200 174.200 173.339 0.861 RESID 81 (G): CA 45.740 45.740 44.785 0.955 RESID 81 (G): H 7.419 7.419 8.067 -0.648 RESID 82 (F): N 121.700 121.700 121.079 0.621 RESID 82 (F): C 175.300 175.300 175.734 -0.434 RESID 82 (F): CA 52.530 52.530 56.778 -4.248 RESID 82 (F): CB 37.430 37.430 40.076 -2.646 RESID 82 (F): H 8.154 8.154 7.850 0.304 RESID 83 (L): C 178.400 178.400 177.429 0.971 RESID 83 (L): CA 55.550 55.550 55.215 0.335 RESID 83 (L): CB 38.480 38.480 41.967 -3.487 RESID 84 (R): N 119.000 119.000 118.643 0.357 RESID 84 (R): C 178.300 178.300 177.526 0.774 RESID 84 (R): CA 60.690 60.690 57.193 3.497 RESID 84 (R): CB 31.530 31.530 29.878 1.652 RESID 84 (R): H 7.746 7.746 8.432 -0.686 RESID 85 (Q): N 116.400 116.400 118.999 -2.599 RESID 85 (Q): C 174.700 174.700 177.362 -2.662 RESID 85 (Q): CA 58.200 58.200 57.984 0.216 RESID 85 (Q): CB 26.140 26.140 29.317 -3.177 RESID 85 (Q): H 9.838 9.838 7.967 1.871 RESID 86 (W): N 115.600 115.600 122.129 -6.529 RESID 86 (W): C 175.900 175.900 177.689 -1.789 RESID 86 (W): CA 55.320 55.320 60.406 -5.086 RESID 86 (W): CB 27.470 27.470 29.535 -2.064 RESID 86 (W): H 6.600 6.600 8.555 -1.955 RESID 87 (S): N 118.500 118.500 114.731 3.769 RESID 87 (S): C 177.300 177.300 175.835 1.465 RESID 87 (S): CA 62.340 62.340 61.794 0.546 RESID 87 (S): H 7.067 7.067 8.347 -1.280 RESID 88 (K): N 118.300 118.300 122.252 -3.952 RESID 88 (K): C 179.000 179.000 178.817 0.183 RESID 88 (K): CA 59.970 59.970 59.497 0.473 RESID 88 (K): CB 32.380 32.380 32.471 -0.091 RESID 88 (K): H 8.615 8.615 7.626 0.989 RESID 89 (V): N 120.600 120.600 114.287 6.313 RESID 89 (V): C 178.100 178.100 177.300 0.800 RESID 89 (V): CA 65.530 65.530 65.458 0.072 RESID 89 (V): CB 32.180 32.180 31.679 0.501 RESID 89 (V): H 7.089 7.089 7.824 -0.735 RESID 90 (A): N 120.700 120.700 121.107 -0.407 RESID 90 (A): C 180.000 180.000 178.906 1.094 RESID 90 (A): CA 55.490 55.490 54.119 1.371 RESID 90 (A): CB 19.130 19.130 17.690 1.440 RESID 90 (A): H 7.979 7.979 7.293 0.686 RESID 91 (K): N 117.600 117.600 118.010 -0.410 RESID 91 (K): C 180.900 180.900 177.870 3.030 RESID 91 (K): CA 59.830 59.830 58.822 1.008 RESID 91 (K): CB 32.700 32.700 32.701 -0.001 RESID 91 (K): H 7.844 7.844 8.081 -0.237 RESID 92 (E): N 122.300 122.300 117.248 5.052 RESID 92 (E): C 178.600 178.600 177.088 1.512 RESID 92 (E): CA 59.590 59.590 57.290 2.300 RESID 92 (E): CB 29.740 29.740 30.385 -0.645 RESID 92 (E): H 8.178 8.178 7.690 0.488 RESID 93 (R): N 115.300 115.300 118.454 -3.154 RESID 93 (R): C 175.000 175.000 174.691 0.309 RESID 93 (R): CA 56.320 56.320 55.526 0.793 RESID 93 (R): CB 29.390 29.390 30.909 -1.519 RESID 93 (R): H 7.776 7.776 8.044 -0.268 RESID 94 (K): N 116.800 116.800 115.031 1.769 RESID 94 (K): C 176.400 176.400 175.735 0.665 RESID 94 (K): CA 56.950 56.950 57.629 -0.679 RESID 94 (K): CB 28.870 28.870 30.328 -1.458 RESID 94 (K): H 7.697 7.697 8.406 -0.709 RESID 95 (L): N 120.600 120.600 121.632 -1.032 RESID 95 (L): C 177.200 177.200 176.917 0.283 RESID 95 (L): CA 56.710 56.710 56.006 0.704 RESID 95 (L): CB 43.480 43.480 42.452 1.028 RESID 95 (L): H 7.708 7.708 7.665 0.043 RESID 96 (Q): N 124.900 124.900 124.472 0.428 RESID 96 (Q): C 175.000 175.000 175.967 -0.967 RESID 96 (Q): CA 55.570 55.570 54.929 0.641 RESID 96 (Q): CB 30.080 30.080 29.757 0.323 RESID 96 (Q): H 7.526 7.526 8.405 -0.879 RESID 97 (R): N 126.000 126.000 119.579 6.421 RESID 97 (R): C 176.800 176.800 176.212 0.588 RESID 97 (R): CA 55.610 55.610 56.607 -0.997 RESID 97 (R): CB 31.840 31.840 30.214 1.626 RESID 97 (R): H 9.039 9.039 8.542 0.497 RESID 98 (L): N 126.500 126.500 123.074 3.426 RESID 98 (L): C 175.400 175.400 175.828 -0.428 RESID 98 (L): CA 56.610 56.610 54.216 2.394 RESID 98 (L): CB 47.140 47.140 43.778 3.362 RESID 98 (L): H 8.247 8.247 8.698 -0.451 RESID 99 (Y): N 110.000 110.000 112.022 -2.022 RESID 99 (Y): C 173.200 173.200 174.590 -1.390 RESID 99 (Y): CA 55.320 55.320 56.144 -0.824 RESID 99 (Y): CB 38.350 38.350 39.340 -0.990 RESID 99 (Y): H 6.465 6.465 7.819 -1.354 RESID 100 (I): N 120.000 120.000 126.193 -6.193 RESID 100 (I): C 176.800 176.800 177.146 -0.346 RESID 100 (I): CA 61.290 61.290 63.104 -1.814 RESID 100 (I): CB 39.980 39.980 36.407 3.573 RESID 100 (I): H 8.725 8.725 8.617 0.108 RESID 101 (G): N 114.800 114.800 113.893 0.907 RESID 101 (G): C 173.400 173.400 174.083 -0.683 RESID 101 (G): CA 47.030 47.030 44.822 2.208 RESID 101 (G): H 8.224 8.224 8.474 -0.250 RESID 102 (E): N 129.600 129.600 118.670 10.930 RESID 102 (E): C 173.700 173.700 174.468 -0.768 RESID 102 (E): CA 54.480 54.480 53.987 0.493 RESID 102 (E): CB 29.790 29.790 27.758 2.033 RESID 102 (E): H 8.294 8.294 8.000 0.294 RESID 103 (P): C 175.400 175.400 176.223 -0.823 RESID 103 (P): CA 62.040 62.040 63.409 -1.369 RESID 103 (P): CB 32.570 32.570 32.651 -0.081 RESID 104 (S): N 111.900 111.900 117.133 -5.233 RESID 104 (S): C 174.800 174.800 174.659 0.141 RESID 104 (S): CA 55.340 55.340 58.465 -3.125 RESID 104 (S): CB 64.330 64.330 64.359 -0.029 RESID 104 (S): H 5.412 5.412 7.964 -2.552 RESID 105 (A): N 130.200 130.200 130.015 0.185 RESID 105 (A): C 179.400 179.400 179.065 0.335 RESID 105 (A): CA 55.070 55.070 54.335 0.735 RESID 105 (A): CB 18.210 18.210 19.115 -0.905 RESID 105 (A): H 9.211 9.211 8.875 0.336 RESID 106 (E): N 119.800 119.800 119.426 0.374 RESID 106 (E): C 179.300 179.300 178.863 0.437 RESID 106 (E): CA 60.270 60.270 59.028 1.242 RESID 106 (E): CB 28.990 28.990 29.467 -0.477 RESID 106 (E): H 8.731 8.731 8.581 0.150 RESID 107 (A): N 121.600 121.600 122.137 -0.537 RESID 107 (A): C 180.100 180.100 179.739 0.361 RESID 107 (A): CA 54.650 54.650 54.937 -0.287 RESID 107 (A): CB 19.220 19.220 18.444 0.776 RESID 107 (A): H 7.682 7.682 7.835 -0.153 RESID 108 (V): N 116.600 116.600 118.546 -1.946 RESID 108 (V): C 177.700 177.700 178.506 -0.806 RESID 108 (V): CA 66.920 66.920 65.965 0.955 RESID 108 (V): CB 31.430 31.430 31.734 -0.304 RESID 108 (V): H 7.015 7.015 7.526 -0.511 RESID 109 (A): N 121.400 121.400 122.832 -1.432 RESID 109 (A): C 181.100 181.100 179.216 1.884 RESID 109 (A): CA 55.540 55.540 54.920 0.619 RESID 109 (A): CB 17.900 17.900 18.035 -0.135 RESID 109 (A): H 8.262 8.262 8.132 0.130 RESID 110 (A): N 118.800 118.800 119.561 -0.761 RESID 110 (A): C 178.900 178.900 178.653 0.247 RESID 110 (A): CA 54.300 54.300 54.551 -0.251 RESID 110 (A): CB 18.460 18.460 18.484 -0.024 RESID 110 (A): H 7.607 7.607 7.936 -0.329 RESID 111 (Q): N 113.500 113.500 114.587 -1.087 RESID 111 (Q): C 174.900 174.900 175.972 -1.072 RESID 111 (Q): CA 55.160 55.160 54.271 0.889 RESID 111 (Q): CB 28.450 28.450 28.573 -0.123 RESID 111 (Q): H 7.148 7.148 7.436 -0.288 RESID 112 (M): N 114.700 114.700 120.785 -6.085 RESID 112 (M): C 173.300 173.300 173.227 0.073 RESID 112 (M): CA 55.900 55.900 55.544 0.356 RESID 112 (M): CB 30.300 30.300 31.735 -1.435 RESID 112 (M): H 7.882 7.882 7.940 -0.058 RESID 113 (P): C 176.700 176.700 176.232 0.468 RESID 113 (P): CA 62.820 62.820 62.615 0.204 RESID 113 (P): CB 33.340 33.340 32.915 0.425 RESID 114 (D): N 115.800 115.800 118.036 -2.236 RESID 114 (D): C 175.900 175.900 175.983 -0.083 RESID 114 (D): CA 53.150 53.150 55.241 -2.091 RESID 114 (D): CB 40.990 40.990 42.821 -1.831 RESID 114 (D): H 8.850 8.850 8.236 0.614 RESID 115 (L): C 174.900 174.900 174.278 0.622 RESID 115 (L): CA 52.800 52.800 54.213 -1.413 RESID 116 (I): N 123.500 123.500 126.335 -2.835 RESID 116 (I): CA 60.270 60.270 60.383 -0.113 RESID 116 (I): H 9.340 9.340 8.001 1.339 RESID 118 (I): C 174.400 174.400 175.371 -0.971 RESID 118 (I): CA 60.250 60.250 59.824 0.426 RESID 118 (I): CB 42.610 42.610 41.608 1.002 RESID 119 (S): N 121.600 121.600 121.120 0.480 RESID 119 (S): C 175.700 175.700 175.105 0.595 RESID 119 (S): CA 57.150 57.150 57.743 -0.593 RESID 119 (S): CB 65.280 65.280 64.617 0.663 RESID 119 (S): H 9.575 9.575 8.532 1.043 RESID 120 (A): N 126.000 126.000 124.422 1.578 RESID 120 (A): C 176.900 176.900 177.377 -0.477 RESID 120 (A): CA 54.300 54.300 54.350 -0.050 RESID 120 (A): CB 20.530 20.530 19.001 1.529 RESID 120 (A): H 8.143 8.143 8.649 -0.506 RESID 121 (T): N 106.400 106.400 110.566 -4.166 RESID 121 (T): C 173.000 173.000 173.083 -0.083 RESID 121 (T): CA 59.450 59.450 61.906 -2.456 RESID 121 (T): CB 72.310 72.310 70.711 1.599 RESID 121 (T): H 7.617 7.617 7.832 -0.215 RESID 122 (G): N 104.200 104.200 110.619 -6.419 RESID 122 (G): C 177.200 177.200 174.127 3.073 RESID 122 (G): CA 44.430 44.430 45.197 -0.767 RESID 122 (G): H 7.998 7.998 7.837 0.161 RESID 123 (G): C 174.100 174.100 174.308 -0.208 RESID 123 (G): CA 46.710 46.710 45.667 1.043 RESID 124 (D): N 116.900 116.900 119.312 -2.412 RESID 124 (D): C 176.900 176.900 175.930 0.970 RESID 124 (D): CA 52.320 52.320 52.908 -0.588 RESID 124 (D): CB 40.690 40.690 40.623 0.067 RESID 124 (D): H 8.617 8.617 7.790 0.827 RESID 125 (S): N 115.100 115.100 119.218 -4.118 RESID 125 (S): C 176.900 176.900 175.254 1.646 RESID 125 (S): CA 58.750 58.750 58.690 0.060 RESID 125 (S): CB 64.190 64.190 64.051 0.139 RESID 125 (S): H 7.322 7.322 8.425 -1.103 RESID 126 (A): N 134.900 134.900 130.149 4.751 RESID 126 (A): C 176.700 176.700 178.655 -1.955 RESID 126 (A): CA 51.150 51.150 53.497 -2.347 RESID 126 (A): CB 16.850 16.850 19.087 -2.236 RESID 126 (A): H 8.837 8.837 8.577 0.260 RESID 127 (L): N 121.000 121.000 121.000 0.000 RESID 127 (L): C 178.900 178.900 178.360 0.540 RESID 127 (L): CA 58.730 58.730 57.266 1.464 RESID 127 (L): CB 42.840 42.840 41.602 1.238 RESID 127 (L): H 7.353 7.353 8.140 -0.787 RESID 128 (A): N 121.600 121.600 118.211 3.389 RESID 128 (A): C 178.900 178.900 178.176 0.724 RESID 128 (A): CA 55.010 55.010 54.205 0.805 RESID 128 (A): CB 18.200 18.200 18.693 -0.493 RESID 128 (A): H 8.918 8.918 7.625 1.293 RESID 129 (L): N 116.800 116.800 116.281 0.519 RESID 129 (L): C 177.000 177.000 177.904 -0.904 RESID 129 (L): CA 53.930 53.930 55.199 -1.269 RESID 129 (L): CB 42.710 42.710 43.075 -0.365 RESID 129 (L): H 7.776 7.776 7.412 0.364 RESID 130 (Y): N 122.000 122.000 122.894 -0.894 RESID 130 (Y): C 177.100 177.100 176.806 0.294 RESID 130 (Y): CA 64.420 64.420 62.886 1.534 RESID 130 (Y): CB 39.470 39.470 38.415 1.055 RESID 130 (Y): H 7.891 7.891 8.997 -1.106 RESID 131 (D): N 119.000 119.000 117.834 1.166 RESID 131 (D): C 178.300 178.300 178.382 -0.082 RESID 131 (D): CA 58.040 58.040 57.403 0.637 RESID 131 (D): CB 39.660 39.660 39.364 0.296 RESID 131 (D): H 9.014 9.014 8.094 0.920 RESID 132 (Q): N 118.900 118.900 119.866 -0.966 RESID 132 (Q): C 179.100 179.100 178.823 0.277 RESID 132 (Q): CA 58.930 58.930 58.727 0.203 RESID 132 (Q): CB 29.320 29.320 28.744 0.576 RESID 132 (Q): H 7.814 7.814 7.948 -0.134 RESID 133 (L): N 119.700 119.700 120.002 -0.302 RESID 133 (L): C 177.900 177.900 178.615 -0.715 RESID 133 (L): CA 57.910 57.910 57.580 0.330 RESID 133 (L): CB 40.980 40.980 41.788 -0.808 RESID 133 (L): H 8.450 8.450 8.919 -0.469 RESID 134 (S): N 111.800 111.800 115.012 -3.212 RESID 134 (S): C 175.500 175.500 175.996 -0.496 RESID 134 (S): CA 61.160 61.160 60.836 0.324 RESID 134 (S): CB 63.450 63.450 62.666 0.784 RESID 134 (S): H 8.128 8.128 8.457 -0.329 RESID 135 (T): N 111.100 111.100 116.351 -5.251 RESID 135 (T): C 175.300 175.300 176.471 -1.171 RESID 135 (T): CA 63.230 63.230 65.275 -2.045 RESID 135 (T): CB 69.670 69.670 69.011 0.659 RESID 135 (T): H 6.953 6.953 7.596 -0.643 RESID 136 (I): N 124.400 124.400 120.430 3.970 RESID 136 (I): C 175.800 175.800 175.545 0.255 RESID 136 (I): CA 63.940 63.940 63.988 -0.048 RESID 136 (I): CB 38.870 38.870 38.517 0.353 RESID 136 (I): H 7.694 7.694 7.278 0.416 RESID 137 (A): N 120.500 120.500 118.538 1.962 RESID 137 (A): C 172.300 172.300 173.911 -1.611 RESID 137 (A): CA 50.470 50.470 50.614 -0.144 RESID 137 (A): CB 19.320 19.320 19.457 -0.137 RESID 137 (A): H 7.540 7.540 8.017 -0.477 RESID 138 (P): C 174.700 174.700 176.160 -1.460 RESID 138 (P): CA 64.700 64.700 63.456 1.244 RESID 138 (P): CB 31.610 31.610 31.888 -0.278 RESID 139 (T): N 122.000 122.000 119.897 2.103 RESID 139 (T): C 173.900 173.900 173.938 -0.038 RESID 139 (T): CA 61.630 61.630 62.925 -1.295 RESID 139 (T): CB 71.540 71.540 69.570 1.970 RESID 139 (T): H 7.990 7.990 7.989 0.001 RESID 140 (L): C 174.900 174.900 174.305 0.595 RESID 140 (L): CA 52.740 52.740 53.533 -0.793 RESID 140 (L): CB 46.680 46.680 45.964 0.716 RESID 141 (I): N 123.500 123.500 125.851 -2.351 RESID 141 (I): C 175.700 175.700 174.731 0.969 RESID 141 (I): CA 60.250 60.250 61.293 -1.043 RESID 141 (I): CB 39.590 39.590 38.383 1.207 RESID 141 (I): H 9.345 9.345 7.888 1.457 RESID 142 (I): N 129.000 129.000 127.339 1.661 RESID 142 (I): C 174.400 174.400 174.183 0.217 RESID 142 (I): CA 57.930 57.930 59.858 -1.929 RESID 142 (I): CB 39.690 39.690 42.055 -2.365 RESID 142 (I): H 9.030 9.030 8.837 0.193 RESID 143 (N): N 129.100 129.100 124.095 5.005 RESID 143 (N): C 174.700 174.700 174.250 0.450 RESID 143 (N): CA 51.390 51.390 53.297 -1.907 RESID 143 (N): CB 39.720 39.720 39.617 0.103 RESID 143 (N): H 9.388 9.388 8.674 0.714 RESID 144 (Y): N 119.900 119.900 125.877 -5.977 RESID 144 (Y): C 176.500 176.500 174.765 1.735 RESID 144 (Y): CA 55.820 55.820 59.467 -3.647 RESID 144 (Y): CB 39.120 39.120 39.320 -0.200 RESID 144 (Y): H 8.491 8.491 8.278 0.213 RESID 145 (D): N 125.200 125.200 124.433 0.767 RESID 145 (D): C 176.800 176.800 175.034 1.766 RESID 145 (D): CA 55.220 55.220 55.425 -0.205 RESID 145 (D): CB 43.120 43.120 39.784 3.336 RESID 145 (D): H 8.800 8.800 8.358 0.442 RESID 146 (D): N 119.100 119.100 114.977 4.123 RESID 146 (D): C 175.200 175.200 175.254 -0.054 RESID 146 (D): CA 53.230 53.230 53.605 -0.375 RESID 146 (D): CB 40.760 40.760 42.442 -1.682 RESID 146 (D): H 7.571 7.571 8.625 -1.054 RESID 147 (K): N 114.100 114.100 119.855 -5.755 RESID 147 (K): C 175.000 175.000 175.273 -0.273 RESID 147 (K): CA 54.070 54.070 55.614 -1.544 RESID 147 (K): CB 33.340 33.340 35.103 -1.763 RESID 147 (K): H 7.018 7.018 7.567 -0.549 RESID 148 (S): N 118.300 118.300 118.798 -0.498 RESID 148 (S): C 175.700 175.700 176.081 -0.381 RESID 148 (S): CA 57.120 57.120 57.178 -0.058 RESID 148 (S): CB 64.970 64.970 64.261 0.709 RESID 148 (S): H 8.709 8.709 8.486 0.223 RESID 149 (W): N 121.700 121.700 119.964 1.736 RESID 149 (W): C 179.300 179.300 177.232 2.068 RESID 149 (W): CA 59.890 59.890 58.564 1.326 RESID 149 (W): CB 27.660 27.660 28.389 -0.729 RESID 149 (W): H 8.779 8.779 8.908 -0.129 RESID 150 (Q): N 124.600 124.600 121.399 3.201 RESID 150 (Q): C 178.100 178.100 177.857 0.243 RESID 150 (Q): CA 61.660 61.660 58.288 3.372 RESID 150 (Q): CB 26.550 26.550 27.719 -1.169 RESID 150 (Q): H 8.369 8.369 6.759 1.610 RESID 151 (S): N 117.500 117.500 116.347 1.153 RESID 151 (S): C 177.500 177.500 176.925 0.575 RESID 151 (S): CA 61.760 61.760 61.117 0.643 RESID 151 (S): CB 63.360 63.360 62.598 0.762 RESID 151 (S): H 7.769 7.769 7.708 0.061 RESID 152 (L): N 125.200 125.200 122.634 2.566 RESID 152 (L): C 178.700 178.700 178.150 0.550 RESID 152 (L): CA 58.320 58.320 57.927 0.393 RESID 152 (L): CB 41.980 41.980 41.684 0.297 RESID 152 (L): H 8.460 8.460 8.385 0.075 RESID 153 (L): N 119.200 119.200 118.624 0.576 RESID 153 (L): C 179.700 179.700 178.660 1.040 RESID 153 (L): CA 58.960 58.960 57.528 1.432 RESID 153 (L): CB 41.270 41.270 41.370 -0.100 RESID 153 (L): H 8.562 8.562 7.625 0.937 RESID 154 (T): N 116.300 116.300 112.800 3.500 RESID 154 (T): C 177.200 177.200 176.895 0.305 RESID 154 (T): CA 67.290 67.290 65.975 1.315 RESID 154 (T): CB 68.640 68.640 68.103 0.537 RESID 154 (T): H 8.004 8.004 7.861 0.143 RESID 155 (Q): N 124.500 124.500 120.996 3.504 RESID 155 (Q): C 179.200 179.200 178.006 1.194 RESID 155 (Q): CA 59.710 59.710 58.335 1.375 RESID 155 (Q): CB 28.620 28.620 28.356 0.264 RESID 155 (Q): H 8.230 8.230 7.905 0.325 RESID 156 (L): C 180.900 180.900 179.266 1.634 RESID 156 (L): CA 57.540 57.540 56.922 0.618 RESID 156 (L): CB 41.710 41.710 41.841 -0.131 RESID 157 (G): N 112.800 112.800 107.014 5.786 RESID 157 (G): C 174.500 174.500 175.063 -0.563 RESID 157 (G): CA 48.300 48.300 46.511 1.788 RESID 157 (G): H 9.216 9.216 8.009 1.207 RESID 158 (E): N 123.500 123.500 118.668 4.832 RESID 158 (E): C 177.800 177.800 177.152 0.648 RESID 158 (E): CA 59.120 59.120 57.870 1.250 RESID 158 (E): CB 29.700 29.700 29.384 0.316 RESID 158 (E): H 7.480 7.480 7.460 0.020 RESID 160 (T): C 178.300 178.300 176.013 2.287 RESID 160 (T): CA 61.930 61.930 63.084 -1.154 RESID 160 (T): CB 71.830 71.830 69.166 2.664 RESID 161 (G): N 113.600 113.600 113.882 -0.282 RESID 161 (G): C 174.600 174.600 174.150 0.450 RESID 161 (G): CA 48.130 48.130 46.886 1.244 RESID 161 (G): H 8.114 8.114 8.990 -0.876 RESID 162 (H): N 121.000 121.000 116.026 4.974 RESID 162 (H): C 174.000 174.000 176.153 -2.153 RESID 162 (H): CA 55.370 55.370 55.832 -0.462 RESID 162 (H): CB 28.280 28.280 31.287 -3.007 RESID 162 (H): H 8.506 8.506 7.836 0.670 RESID 163 (E): N 123.900 123.900 122.158 1.742 RESID 163 (E): C 180.800 180.800 178.470 2.330 RESID 163 (E): CA 61.160 61.160 59.735 1.425 RESID 163 (E): CB 28.720 28.720 29.157 -0.437 RESID 163 (E): H 10.300 10.300 8.767 1.533 RESID 164 (K): N 120.600 120.600 119.499 1.101 RESID 164 (K): C 178.700 178.700 178.711 -0.011 RESID 164 (K): CA 59.590 59.590 59.942 -0.352 RESID 164 (K): CB 32.280 32.280 32.093 0.187 RESID 164 (K): H 8.789 8.789 8.414 0.376 RESID 165 (Q): N 119.500 119.500 118.167 1.333 RESID 165 (Q): C 178.800 178.800 178.401 0.399 RESID 165 (Q): CA 60.870 60.870 58.756 2.114 RESID 165 (Q): CB 28.120 28.120 28.277 -0.157 RESID 165 (Q): H 8.058 8.058 8.107 -0.049 RESID 166 (A): N 121.100 121.100 122.420 -1.320 RESID 166 (A): C 178.000 178.000 179.426 -1.426 RESID 166 (A): CA 56.280 56.280 54.960 1.320 RESID 166 (A): CB 18.300 18.300 18.077 0.223 RESID 166 (A): H 7.873 7.873 8.032 -0.159 RESID 167 (A): N 117.900 117.900 120.943 -3.043 RESID 167 (A): C 181.500 181.500 179.615 1.885 RESID 167 (A): CA 55.100 55.100 55.257 -0.157 RESID 167 (A): CB 17.860 17.860 18.167 -0.307 RESID 167 (A): H 7.642 7.642 8.744 -1.102 RESID 168 (E): N 120.100 120.100 118.574 1.526 RESID 168 (E): C 179.600 179.600 179.132 0.468 RESID 168 (E): CA 59.610 59.610 59.615 -0.005 RESID 168 (E): CB 29.790 29.790 29.337 0.453 RESID 168 (E): H 8.230 8.230 7.913 0.317 RESID 170 (I): C 177.700 177.700 177.700 0.000 RESID 170 (I): CA 66.880 66.880 65.301 1.579 RESID 170 (I): CB 39.310 39.310 37.956 1.355 RESID 171 (A): N 120.700 120.700 123.193 -2.493 RESID 171 (A): C 181.200 181.200 179.837 1.363 RESID 171 (A): CA 55.290 55.290 55.641 -0.351 RESID 171 (A): CB 18.260 18.260 18.111 0.149 RESID 171 (A): H 8.000 8.000 8.782 -0.782 RESID 172 (Q): N 120.600 120.600 118.031 2.569 RESID 172 (Q): C 179.200 179.200 178.584 0.616 RESID 172 (Q): CA 59.210 59.210 58.505 0.705 RESID 172 (Q): CB 28.340 28.340 28.600 -0.260 RESID 172 (Q): H 8.585 8.585 7.947 0.638 RESID 173 (F): N 122.500 122.500 122.605 -0.105 RESID 173 (F): C 176.400 176.400 177.407 -1.007 RESID 173 (F): CA 62.710 62.710 61.105 1.605 RESID 173 (F): CB 39.490 39.490 39.128 0.362 RESID 173 (F): H 8.457 8.457 8.770 -0.313 RESID 174 (D): N 121.000 121.000 120.122 0.878 RESID 174 (D): C 180.300 180.300 178.883 1.417 RESID 174 (D): CA 58.040 58.040 57.493 0.547 RESID 174 (D): CB 40.160 40.160 40.258 -0.098 RESID 174 (D): H 8.771 8.771 9.040 -0.269 RESID 175 (K): N 121.300 121.300 120.224 1.076 RESID 175 (K): C 179.800 179.800 178.635 1.165 RESID 175 (K): CA 59.630 59.630 59.643 -0.013 RESID 175 (K): CB 32.710 32.710 32.395 0.315 RESID 175 (K): H 8.125 8.125 8.193 -0.068 RESID 176 (Q): N 121.600 121.600 119.500 2.100 RESID 176 (Q): C 179.100 179.100 178.332 0.768 RESID 176 (Q): CA 58.460 58.460 58.937 -0.477 RESID 176 (Q): CB 27.990 27.990 28.523 -0.533 RESID 176 (Q): H 8.164 8.164 7.816 0.348 RESID 177 (L): N 125.600 125.600 119.592 6.008 RESID 177 (L): C 178.400 178.400 178.669 -0.269 RESID 177 (L): CA 59.890 59.890 57.235 2.655 RESID 177 (L): CB 41.200 41.200 41.361 -0.161 RESID 177 (L): H 8.944 8.944 7.734 1.210 RESID 178 (A): N 121.500 121.500 122.565 -1.065 RESID 178 (A): C 180.600 180.600 179.231 1.369 RESID 178 (A): CA 55.390 55.390 55.196 0.194 RESID 178 (A): CB 17.970 17.970 17.881 0.089 RESID 178 (A): H 7.690 7.690 8.232 -0.541 RESID 179 (A): N 120.200 120.200 120.991 -0.791 RESID 179 (A): C 180.600 180.600 179.874 0.726 RESID 179 (A): CA 54.860 54.860 54.520 0.341 RESID 179 (A): CB 18.190 18.190 18.598 -0.408 RESID 179 (A): H 7.706 7.706 7.654 0.052 RESID 180 (A): N 121.800 121.800 121.787 0.013 RESID 180 (A): C 179.200 179.200 179.106 0.094 RESID 180 (A): CA 55.490 55.490 54.735 0.755 RESID 180 (A): CB 17.920 17.920 18.204 -0.284 RESID 180 (A): H 8.171 8.171 7.992 0.179 RESID 181 (K): N 118.100 118.100 117.978 0.122 RESID 181 (K): C 178.000 178.000 178.113 -0.113 RESID 181 (K): CA 59.830 59.830 59.205 0.625 RESID 181 (K): CB 33.340 33.340 32.641 0.699 RESID 181 (K): H 8.342 8.342 8.319 0.023 RESID 182 (E): N 114.400 114.400 116.533 -2.133 RESID 182 (E): C 177.300 177.300 177.421 -0.121 RESID 182 (E): CA 57.870 57.870 57.131 0.739 RESID 182 (E): CB 30.320 30.320 29.225 1.095 RESID 182 (E): H 7.153 7.153 7.709 -0.556 RESID 183 (Q): N 116.700 116.700 117.381 -0.681 RESID 183 (Q): C 177.200 177.200 176.165 1.035 RESID 183 (Q): CA 57.060 57.060 56.814 0.246 RESID 183 (Q): CB 31.550 31.550 31.141 0.409 RESID 183 (Q): H 7.458 7.458 7.637 -0.179 RESID 184 (I): N 117.800 117.800 115.871 1.929 RESID 184 (I): C 175.200 175.200 174.243 0.957 RESID 184 (I): CA 63.000 63.000 59.748 3.252 RESID 184 (I): CB 40.300 40.300 39.956 0.344 RESID 184 (I): H 7.723 7.723 7.427 0.296 RESID 185 (K): N 127.700 127.700 122.974 4.726 RESID 185 (K): C 175.600 175.600 175.632 -0.032 RESID 185 (K): CA 54.550 54.550 55.120 -0.570 RESID 185 (K): CB 31.600 31.600 34.498 -2.898 RESID 185 (K): H 8.743 8.743 7.913 0.830 RESID 186 (L): N 124.700 124.700 125.759 -1.059 RESID 186 (L): C 175.700 175.700 175.907 -0.207 RESID 186 (L): CA 54.240 54.240 51.885 2.355 RESID 186 (L): CB 41.050 41.050 40.677 0.373 RESID 186 (L): H 8.051 8.051 8.481 -0.430 RESID 188 (P): C 174.800 174.800 176.256 -1.456 RESID 188 (P): CA 65.060 65.060 63.588 1.472 RESID 188 (P): CB 32.670 32.670 31.654 1.016 RESID 189 (Q): N 121.300 121.300 121.126 0.174 RESID 189 (Q): C 174.800 174.800 172.917 1.883 RESID 189 (Q): CA 52.330 52.330 54.727 -2.397 RESID 189 (Q): CB 31.350 31.350 30.384 0.966 RESID 189 (Q): H 8.061 8.061 8.226 -0.165 RESID 190 (P): C 175.500 175.500 175.539 -0.039 RESID 190 (P): CA 62.820 62.820 62.468 0.352 RESID 190 (P): CB 35.450 35.450 32.820 2.630 RESID 191 (V): N 112.600 112.600 121.625 -9.025 RESID 191 (V): C 174.300 174.300 173.969 0.331 RESID 191 (V): CA 59.740 59.740 59.516 0.224 RESID 191 (V): CB 35.030 35.030 34.699 0.331 RESID 191 (V): H 9.214 9.214 8.556 0.658 RESID 192 (T): N 120.700 120.700 113.337 7.363 RESID 192 (T): C 172.300 172.300 172.084 0.216 RESID 192 (T): CA 63.030 63.030 59.528 3.502 RESID 192 (T): CB 71.550 71.550 71.255 0.295 RESID 192 (T): H 8.462 8.462 8.311 0.151 RESID 193 (A): N 132.900 132.900 122.987 9.913 RESID 193 (A): C 175.400 175.400 175.402 -0.002 RESID 193 (A): CA 50.570 50.570 51.125 -0.555 RESID 193 (A): CB 21.140 21.140 21.434 -0.294 RESID 193 (A): H 10.170 10.170 8.562 1.608 RESID 194 (I): N 115.400 115.400 117.482 -2.082 RESID 194 (I): C 176.600 176.600 173.703 2.897 RESID 194 (I): CA 59.540 59.540 59.995 -0.455 RESID 194 (I): CB 43.930 43.930 42.118 1.812 RESID 194 (I): H 9.269 9.269 8.524 0.745 RESID 195 (V): N 118.500 118.500 122.791 -4.291 RESID 195 (V): C 176.200 176.200 174.071 2.129 RESID 195 (V): CA 63.190 63.190 61.393 1.797 RESID 195 (V): CB 34.870 34.870 34.719 0.150 RESID 195 (V): H 8.484 8.484 8.637 -0.153 RESID 196 (Y): N 132.200 132.200 129.494 2.706 RESID 196 (Y): C 174.700 174.700 174.156 0.544 RESID 196 (Y): CA 57.000 57.000 57.412 -0.412 RESID 196 (Y): CB 41.250 41.250 40.149 1.101 RESID 196 (Y): H 9.989 9.989 8.987 1.002 RESID 197 (T): N 124.900 124.900 123.400 1.500 RESID 197 (T): C 174.300 174.300 173.376 0.924 RESID 197 (T): CA 60.740 60.740 60.625 0.115 RESID 197 (T): CB 68.560 68.560 71.566 -3.006 RESID 197 (T): H 8.262 8.262 7.828 0.434 RESID 198 (A): N 130.500 130.500 130.864 -0.364 RESID 198 (A): C 180.400 180.400 179.149 1.251 RESID 198 (A): CA 55.510 55.510 54.319 1.191 RESID 198 (A): CB 18.480 18.480 18.387 0.093 RESID 198 (A): H 8.524 8.524 8.849 -0.325 RESID 199 (A): N 118.700 118.700 123.437 -4.737 RESID 199 (A): C 177.700 177.700 178.729 -1.029 RESID 199 (A): CA 54.350 54.350 54.840 -0.490 RESID 199 (A): CB 18.350 18.350 17.979 0.371 RESID 199 (A): H 8.578 8.578 8.270 0.308 RESID 200 (A): N 116.700 116.700 120.551 -3.851 RESID 200 (A): C 176.600 176.600 177.236 -0.636 RESID 200 (A): CA 51.290 51.290 52.096 -0.806 RESID 200 (A): CB 20.180 20.180 18.849 1.331 RESID 200 (A): H 6.638 6.638 8.088 -1.450 RESID 201 (H): N 116.900 116.900 116.445 0.455 RESID 201 (H): C 172.900 172.900 173.397 -0.497 RESID 201 (H): CA 56.710 56.710 56.325 0.385 RESID 201 (H): CB 27.820 27.820 28.242 -0.422 RESID 201 (H): H 7.569 7.569 7.745 -0.176 RESID 202 (S): N 110.500 110.500 114.142 -3.642 RESID 202 (S): C 171.500 171.500 171.856 -0.356 RESID 202 (S): CA 56.530 56.530 57.455 -0.925 RESID 202 (S): CB 66.170 66.170 66.418 -0.249 RESID 202 (S): H 7.109 7.109 7.757 -0.648 RESID 203 (A): N 120.900 120.900 123.638 -2.738 RESID 203 (A): C 174.900 174.900 175.349 -0.449 RESID 203 (A): CA 50.890 50.890 51.538 -0.648 RESID 203 (A): CB 24.510 24.510 22.288 2.222 RESID 203 (A): H 8.618 8.618 8.232 0.386 RESID 204 (N): N 118.900 118.900 118.846 0.054 RESID 204 (N): C 173.300 173.300 173.459 -0.159 RESID 204 (N): CA 51.520 51.520 52.078 -0.558 RESID 204 (N): CB 40.080 40.080 42.169 -2.089 RESID 204 (N): H 8.333 8.333 8.220 0.113 RESID 205 (L): N 127.200 127.200 121.727 5.473 RESID 205 (L): C 175.700 175.700 175.569 0.131 RESID 205 (L): CA 54.920 54.920 54.064 0.856 RESID 205 (L): CB 44.180 44.180 42.648 1.532 RESID 205 (L): H 9.265 9.265 7.610 1.655 RESID 206 (W): N 125.300 125.300 123.656 1.644 RESID 206 (W): C 177.100 177.100 176.445 0.655 RESID 206 (W): CA 56.630 56.630 57.367 -0.737 RESID 206 (W): CB 29.690 29.690 30.828 -1.138 RESID 206 (W): H 8.560 8.560 7.926 0.634 RESID 207 (T): N 112.000 112.000 110.221 1.779 RESID 207 (T): C 176.100 176.100 173.288 2.812 RESID 207 (T): CA 60.120 60.120 59.232 0.888 RESID 207 (T): CB 68.540 68.540 70.407 -1.867 RESID 207 (T): H 8.029 8.029 8.139 -0.110 RESID 208 (P): C 176.000 176.000 176.851 -0.851 RESID 208 (P): CA 66.120 66.120 65.396 0.724 RESID 208 (P): CB 31.950 31.950 32.164 -0.214 RESID 209 (E): N 112.300 112.300 115.029 -2.729 RESID 209 (E): C 177.100 177.100 176.805 0.295 RESID 209 (E): CA 57.280 57.280 57.209 0.071 RESID 209 (E): CB 29.760 29.760 30.147 -0.387 RESID 209 (E): H 7.612 7.612 7.972 -0.360 RESID 210 (S): N 115.800 115.800 115.076 0.724 RESID 210 (S): C 173.900 173.900 175.530 -1.630 RESID 210 (S): CA 58.060 58.060 59.137 -1.077 RESID 210 (S): CB 67.320 67.320 64.478 2.842 RESID 210 (S): H 7.654 7.654 7.431 0.223 RESID 211 (A): N 125.200 125.200 127.314 -2.114 RESID 211 (A): C 180.600 180.600 179.850 0.750 RESID 211 (A): CA 55.410 55.410 55.311 0.099 RESID 211 (A): CB 18.530 18.530 18.758 -0.228 RESID 211 (A): H 8.874 8.874 9.021 -0.147 RESID 212 (Q): N 119.200 119.200 118.628 0.572 RESID 212 (Q): C 177.100 177.100 178.014 -0.914 RESID 212 (Q): CA 61.410 61.410 58.969 2.441 RESID 212 (Q): CB 27.090 27.090 27.417 -0.327 RESID 212 (Q): H 8.493 8.493 8.474 0.019 RESID 213 (G): N 107.500 107.500 107.647 -0.147 RESID 213 (G): C 175.400 175.400 176.316 -0.916 RESID 213 (G): CA 47.520 47.520 46.831 0.688 RESID 213 (G): H 8.053 8.053 8.297 -0.244 RESID 214 (Q): N 120.700 120.700 121.462 -0.762 RESID 214 (Q): C 179.000 179.000 178.387 0.613 RESID 214 (Q): CA 59.150 59.150 58.859 0.291 RESID 214 (Q): CB 29.110 29.110 28.691 0.419 RESID 214 (Q): H 8.501 8.501 8.071 0.430 RESID 215 (M): N 119.200 119.200 120.622 -1.422 RESID 215 (M): C 177.800 177.800 178.173 -0.373 RESID 215 (M): CA 59.760 59.760 59.641 0.119 RESID 215 (M): CB 32.050 32.050 32.842 -0.792 RESID 215 (M): H 7.878 7.878 8.170 -0.292 RESID 216 (L): N 115.800 115.800 118.799 -2.999 RESID 216 (L): C 179.900 179.900 179.034 0.866 RESID 216 (L): CA 58.160 58.160 57.648 0.512 RESID 216 (L): CB 40.010 40.010 41.457 -1.447 RESID 216 (L): H 7.517 7.517 7.978 -0.461 RESID 217 (E): N 121.000 121.000 119.652 1.348 RESID 217 (E): C 182.200 182.200 179.245 2.955 RESID 217 (E): CA 60.210 60.210 58.928 1.282 RESID 217 (E): CB 29.150 29.150 29.419 -0.269 RESID 217 (E): H 8.377 8.377 8.168 0.209 RESID 218 (Q): N 122.300 122.300 117.120 5.180 RESID 218 (Q): C 178.100 178.100 178.894 -0.794 RESID 218 (Q): CA 59.220 59.220 58.270 0.950 RESID 218 (Q): CB 28.850 28.850 29.109 -0.259 RESID 218 (Q): H 8.464 8.464 7.912 0.552 RESID 219 (L): N 118.400 118.400 117.858 0.542 RESID 219 (L): C 175.200 175.200 177.434 -2.234 RESID 219 (L): CA 55.880 55.880 57.267 -1.387 RESID 219 (L): CB 44.330 44.330 42.878 1.452 RESID 219 (L): H 7.433 7.433 7.760 -0.327 RESID 220 (G): N 104.600 104.600 102.678 1.922 RESID 220 (G): C 174.700 174.700 172.928 1.772 RESID 220 (G): CA 44.750 44.750 44.684 0.066 RESID 220 (G): H 7.777 7.777 8.159 -0.382 RESID 221 (F): N 119.100 119.100 118.927 0.173 RESID 221 (F): C 175.200 175.200 174.345 0.855 RESID 221 (F): CA 57.900 57.900 55.961 1.939 RESID 221 (F): CB 38.930 38.930 42.769 -3.839 RESID 221 (F): H 8.001 8.001 7.773 0.228 RESID 222 (T): N 117.600 117.600 116.018 1.582 RESID 222 (T): C 173.900 173.900 173.383 0.517 RESID 222 (T): CA 61.790 61.790 61.195 0.595 RESID 222 (T): CB 71.360 71.360 69.738 1.622 RESID 222 (T): H 8.961 8.961 8.567 0.394 RESID 223 (L): N 128.300 128.300 127.104 1.196 RESID 223 (L): C 178.300 178.300 176.645 1.655 RESID 223 (L): CA 54.760 54.760 53.401 1.359 RESID 223 (L): CB 41.600 41.600 42.751 -1.151 RESID 223 (L): H 9.269 9.269 8.202 1.067 RESID 224 (A): N 126.800 126.800 128.075 -1.275 RESID 224 (A): C 177.400 177.400 175.853 1.547 RESID 224 (A): CA 52.460 52.460 50.984 1.476 RESID 224 (A): CB 18.650 18.650 20.839 -2.189 RESID 224 (A): H 9.077 9.077 8.099 0.978 RESID 225 (K): N 123.400 123.400 121.191 2.209 RESID 225 (K): C 176.800 176.800 176.189 0.611 RESID 225 (K): CA 55.600 55.600 55.580 0.020 RESID 225 (K): CB 33.080 33.080 32.908 0.172 RESID 225 (K): H 8.601 8.601 8.363 0.238 RESID 226 (L): N 126.200 126.200 128.016 -1.816 RESID 226 (L): C 175.500 175.500 175.610 -0.110 RESID 226 (L): CA 53.420 53.420 53.935 -0.515 RESID 226 (L): CB 41.720 41.720 41.244 0.476 RESID 226 (L): H 8.634 8.634 8.521 0.113 RESID 227 (P): C 176.800 176.800 177.072 -0.272 RESID 227 (P): CA 62.860 62.860 62.896 -0.036 RESID 227 (P): CB 32.360 32.360 32.186 0.174 RESID 228 (A): N 124.900 124.900 124.838 0.062 RESID 228 (A): C 179.500 179.500 178.467 1.033 RESID 228 (A): CA 54.120 54.120 53.404 0.716 RESID 228 (A): CB 18.710 18.710 18.702 0.008 RESID 228 (A): H 8.412 8.412 8.511 -0.099 RESID 229 (G): N 107.700 107.700 107.478 0.222 RESID 229 (G): C 175.000 175.000 176.005 -1.005 RESID 229 (G): CA 46.040 46.040 45.428 0.612 RESID 229 (G): H 8.565 8.565 8.092 0.473 RESID 230 (L): N 121.100 121.100 122.364 -1.264 RESID 230 (L): C 176.900 176.900 178.340 -1.440 RESID 230 (L): CA 55.620 55.620 55.547 0.073 RESID 230 (L): CB 42.630 42.630 41.687 0.943 RESID 230 (L): H 7.454 7.454 7.885 -0.431 RESID 231 (N): N 119.400 119.400 119.832 -0.432 RESID 231 (N): C 175.300 175.300 175.910 -0.610 RESID 231 (N): CA 53.650 53.650 56.144 -2.494 RESID 231 (N): CB 38.940 38.940 37.995 0.945 RESID 231 (N): H 8.211 8.211 8.029 0.182 RESID 232 (A): N 124.500 124.500 119.607 4.893 RESID 232 (A): C 178.100 178.100 178.075 0.025 RESID 232 (A): CA 53.110 53.110 51.688 1.423 RESID 232 (A): CB 19.340 19.340 18.045 1.295 RESID 232 (A): H 8.103 8.103 7.918 0.185 RESID 233 (S): N 115.200 115.200 115.248 -0.048 RESID 233 (S): C 175.100 175.100 175.582 -0.482 RESID 233 (S): CA 59.280 59.280 60.990 -1.710 RESID 233 (S): CB 64.280 64.280 63.331 0.949 RESID 233 (S): H 8.169 8.169 8.444 -0.275 RESID 234 (Q): N 122.100 122.100 120.633 1.467 RESID 234 (Q): C 176.400 176.400 175.686 0.714 RESID 234 (Q): CA 56.240 56.240 56.062 0.179 RESID 234 (Q): CB 29.490 29.490 30.813 -1.323 RESID 234 (Q): H 8.230 8.230 7.785 0.445 RESID 235 (S): N 117.100 117.100 118.069 -0.969 RESID 235 (S): C 174.900 174.900 174.661 0.239 RESID 235 (S): CA 58.910 58.910 58.905 0.005 RESID 235 (S): CB 64.510 64.510 62.906 1.604 RESID 235 (S): H 8.229 8.229 8.439 -0.210 RESID 236 (Q): N 122.300 122.300 127.131 -4.831 RESID 236 (Q): C 176.700 176.700 175.435 1.265 RESID 236 (Q): CA 56.610 56.610 55.485 1.125 RESID 236 (Q): CB 29.280 29.280 27.651 1.629 RESID 236 (Q): H 8.372 8.372 8.869 -0.497 RESID 237 (G): N 110.400 110.400 109.013 1.387 RESID 237 (G): C 174.100 174.100 172.962 1.138 RESID 237 (G): CA 45.720 45.720 45.468 0.252 RESID 237 (G): H 8.381 8.381 7.574 0.807 RESID 238 (K): N 120.500 120.500 121.477 -0.977 RESID 238 (K): C 176.600 176.600 175.490 1.110 RESID 238 (K): CA 56.490 56.490 56.005 0.485 RESID 238 (K): CB 33.320 33.320 32.764 0.556 RESID 238 (K): H 7.968 7.968 8.357 -0.389 RESID 239 (R): N 120.900 120.900 124.988 -4.088 RESID 239 (R): CA 56.130 56.130 55.946 0.185 RESID 239 (R): CB 31.560 31.560 30.910 0.650 RESID 239 (R): H 8.159 8.159 8.501 -0.342 RESID 240 (H): C 174.800 174.800 176.522 -1.722 RESID 240 (H): CA 55.740 55.740 58.605 -2.865 RESID 240 (H): CB 29.760 29.760 30.069 -0.309 RESID 241 (D): N 119.800 119.800 119.229 0.571 RESID 241 (D): C 174.700 174.700 176.268 -1.568 RESID 241 (D): CA 55.500 55.500 55.987 -0.487 RESID 241 (D): CB 40.550 40.550 41.222 -0.672 RESID 241 (D): H 9.052 9.052 8.394 0.658 RESID 242 (I): N 115.200 115.200 115.008 0.192 RESID 242 (I): C 175.600 175.600 174.392 1.208 RESID 242 (I): CA 59.090 59.090 59.403 -0.313 RESID 242 (I): CB 43.670 43.670 40.915 2.755 RESID 242 (I): H 7.087 7.087 7.411 -0.324 RESID 243 (I): N 125.100 125.100 126.110 -1.010 RESID 243 (I): C 175.300 175.300 174.272 1.028 RESID 243 (I): CA 60.340 60.340 60.639 -0.299 RESID 243 (I): CB 41.290 41.290 38.372 2.918 RESID 243 (I): H 8.746 8.746 8.534 0.212 RESID 244 (Q): N 128.400 128.400 127.529 0.871 RESID 244 (Q): C 175.300 175.300 174.254 1.046 RESID 244 (Q): CA 56.460 56.460 54.930 1.530 RESID 244 (Q): CB 29.800 29.800 29.790 0.010 RESID 244 (Q): H 8.768 8.768 8.597 0.171 RESID 245 (L): N 125.500 125.500 123.513 1.987 RESID 245 (L): C 176.200 176.200 176.604 -0.404 RESID 245 (L): CA 53.790 53.790 53.118 0.672 RESID 245 (L): CB 45.100 45.100 44.861 0.239 RESID 245 (L): H 8.640 8.640 8.348 0.292 RESID 246 (G): N 109.700 109.700 105.058 4.642 RESID 246 (G): C 174.200 174.200 174.326 -0.126 RESID 246 (G): CA 44.590 44.590 45.035 -0.445 RESID 246 (G): H 8.424 8.424 8.443 -0.019 RESID 247 (G): N 108.500 108.500 108.658 -0.158 RESID 247 (G): C 176.800 176.800 174.981 1.819 RESID 247 (G): CA 47.500 47.500 44.356 3.144 RESID 247 (G): H 8.666 8.666 7.733 0.933 RESID 248 (E): N 123.700 123.700 121.158 2.542 RESID 248 (E): C 177.300 177.300 176.533 0.767 RESID 248 (E): CA 58.560 58.560 57.502 1.058 RESID 248 (E): CB 29.330 29.330 29.261 0.069 RESID 248 (E): H 9.265 9.265 8.808 0.457 RESID 249 (N): N 116.700 116.700 116.395 0.305 RESID 249 (N): C 175.500 175.500 175.995 -0.495 RESID 249 (N): CA 53.490 53.490 53.691 -0.202 RESID 249 (N): CB 39.390 39.390 38.704 0.686 RESID 249 (N): H 7.963 7.963 7.582 0.381 RESID 250 (L): N 121.100 121.100 119.918 1.182 RESID 250 (L): C 177.100 177.100 178.103 -1.003 RESID 250 (L): CA 58.810 58.810 57.020 1.790 RESID 250 (L): CB 42.220 42.220 41.471 0.749 RESID 250 (L): H 7.104 7.104 7.797 -0.693 RESID 251 (A): N 117.400 117.400 122.407 -5.007 RESID 251 (A): C 179.500 179.500 178.165 1.335 RESID 251 (A): CA 55.340 55.340 54.659 0.681 RESID 251 (A): CB 17.960 17.960 18.388 -0.428 RESID 251 (A): H 8.141 8.141 8.313 -0.172 RESID 252 (A): N 117.400 117.400 118.581 -1.181 RESID 252 (A): C 179.100 179.100 178.320 0.780 RESID 252 (A): CA 53.990 53.990 52.396 1.594 RESID 252 (A): CB 18.970 18.970 18.963 0.007 RESID 252 (A): H 7.375 7.375 8.411 -1.036 RESID 253 (G): N 100.600 100.600 107.900 -7.300 RESID 253 (G): C 172.700 172.700 174.794 -2.094 RESID 253 (G): CA 45.380 45.380 45.016 0.364 RESID 253 (G): H 7.589 7.589 7.554 0.035 RESID 254 (L): N 124.800 124.800 122.856 1.944 RESID 254 (L): C 175.300 175.300 177.583 -2.283 RESID 254 (L): CA 53.020 53.020 54.862 -1.842 RESID 254 (L): CB 39.090 39.090 42.100 -3.010 RESID 254 (L): H 7.202 7.202 7.795 -0.593 RESID 255 (N): N 113.800 113.800 121.531 -7.731 RESID 255 (N): C 176.600 176.600 176.249 0.351 RESID 255 (N): CA 53.420 53.420 54.014 -0.594 RESID 255 (N): CB 37.600 37.600 38.825 -1.225 RESID 255 (N): H 7.701 7.701 8.844 -1.143 RESID 256 (G): N 109.100 109.100 106.578 2.522 RESID 256 (G): C 172.200 172.200 174.552 -2.352 RESID 256 (G): CA 45.790 45.790 45.351 0.439 RESID 256 (G): H 7.856 7.856 8.558 -0.702 RESID 257 (E): N 120.100 120.100 118.783 1.317 RESID 257 (E): C 176.900 176.900 175.547 1.353 RESID 257 (E): CA 57.880 57.880 56.572 1.308 RESID 257 (E): CB 29.760 29.760 30.602 -0.842 RESID 257 (E): H 8.443 8.443 8.633 -0.190 RESID 258 (S): N 107.500 107.500 113.749 -6.249 RESID 258 (S): C 172.500 172.500 172.432 0.068 RESID 258 (S): CA 58.010 58.010 58.547 -0.538 RESID 258 (S): CB 66.360 66.360 63.746 2.614 RESID 258 (S): H 7.176 7.176 8.019 -0.843 RESID 259 (L): N 124.900 124.900 127.524 -2.624 RESID 259 (L): C 173.900 173.900 176.484 -2.584 RESID 259 (L): CA 53.630 53.630 54.367 -0.737 RESID 259 (L): CB 46.240 46.240 42.361 3.879 RESID 259 (L): H 8.969 8.969 8.035 0.934 RESID 260 (F): N 123.700 123.700 123.065 0.635 RESID 260 (F): C 174.200 174.200 176.034 -1.834 RESID 260 (F): CA 56.460 56.460 54.969 1.491 RESID 260 (F): CB 41.560 41.560 40.432 1.127 RESID 260 (F): H 9.295 9.295 8.143 1.151 RESID 261 (L): N 123.900 123.900 120.185 3.715 RESID 261 (L): C 177.600 177.600 177.106 0.494 RESID 261 (L): CA 54.010 54.010 53.187 0.823 RESID 261 (L): CB 41.470 41.470 45.514 -4.044 RESID 261 (L): H 9.034 9.034 8.172 0.862 RESID 262 (F): N 123.800 123.800 122.247 1.553 RESID 262 (F): C 175.500 175.500 175.824 -0.324 RESID 262 (F): CA 58.850 58.850 56.998 1.852 RESID 262 (F): CB 39.930 39.930 38.499 1.431 RESID 262 (F): H 9.338 9.338 9.115 0.223 RESID 263 (A): N 121.900 121.900 124.125 -2.225 RESID 263 (A): C 175.300 175.300 177.025 -1.725 RESID 263 (A): CA 53.630 53.630 52.646 0.984 RESID 263 (A): CB 19.700 19.700 16.808 2.892 RESID 263 (A): H 8.902 8.902 8.297 0.605 RESID 264 (G): N 104.500 104.500 111.563 -7.063 RESID 264 (G): C 171.100 171.100 172.728 -1.628 RESID 264 (G): CA 45.540 45.540 45.059 0.480 RESID 264 (G): H 6.746 6.746 7.881 -1.135 RESID 265 (D): N 122.300 122.300 122.663 -0.363 RESID 265 (D): C 177.300 177.300 177.269 0.031 RESID 265 (D): CA 51.660 51.660 52.783 -1.123 RESID 265 (D): CB 42.840 42.840 42.265 0.575 RESID 265 (D): H 9.052 9.052 8.111 0.941 RESID 266 (Q): N 118.400 118.400 119.604 -1.204 RESID 266 (Q): C 177.600 177.600 177.455 0.145 RESID 266 (Q): CA 58.620 58.620 59.062 -0.442 RESID 266 (Q): CB 28.490 28.490 28.647 -0.157 RESID 266 (Q): H 8.277 8.277 8.606 -0.329 RESID 267 (K): N 117.700 117.700 118.784 -1.084 RESID 267 (K): C 180.400 180.400 178.087 2.313 RESID 267 (K): CA 59.390 59.390 59.547 -0.157 RESID 267 (K): CB 31.440 31.440 31.787 -0.347 RESID 267 (K): H 7.879 7.879 7.921 -0.042 RESID 268 (D): N 121.600 121.600 119.655 1.945 RESID 268 (D): C 177.400 177.400 178.339 -0.939 RESID 268 (D): CA 57.980 57.980 56.977 1.003 RESID 268 (D): CB 41.550 41.550 40.252 1.298 RESID 268 (D): H 7.640 7.640 8.116 -0.476 RESID 269 (A): N 121.700 121.700 121.476 0.224 RESID 269 (A): C 179.000 179.000 178.413 0.587 RESID 269 (A): CA 55.640 55.640 54.922 0.717 RESID 269 (A): CB 17.490 17.490 18.193 -0.703 RESID 269 (A): H 7.370 7.370 7.619 -0.249 RESID 270 (D): N 118.200 118.200 117.873 0.327 RESID 270 (D): C 179.300 179.300 176.511 2.789 RESID 270 (D): CA 57.570 57.570 56.309 1.261 RESID 270 (D): CB 39.860 39.860 40.254 -0.394 RESID 270 (D): H 8.735 8.735 7.953 0.782 RESID 271 (A): N 122.900 122.900 119.872 3.028 RESID 271 (A): C 180.800 180.800 179.326 1.474 RESID 271 (A): CA 55.040 55.040 53.563 1.477 RESID 271 (A): CB 18.300 18.300 19.333 -1.033 RESID 271 (A): H 7.579 7.579 7.050 0.529 RESID 272 (I): N 0.000 0.000 120.463 -120.463 RESID 272 (I): C 178.300 178.300 176.953 1.347 RESID 272 (I): CA 63.880 63.880 64.652 -0.772 RESID 272 (I): CB 35.710 35.710 38.129 -2.419 RESID 272 (I): H 7.340 7.340 8.403 -1.063 RESID 273 (Y): N 116.300 116.300 116.990 -0.690 RESID 273 (Y): C 177.000 177.000 176.773 0.227 RESID 273 (Y): CA 61.100 61.100 58.278 2.822 RESID 273 (Y): CB 37.770 37.770 35.830 1.940 RESID 273 (Y): H 7.509 7.509 7.297 0.212 RESID 274 (A): N 118.600 118.600 121.847 -3.247 RESID 274 (A): C 177.200 177.200 177.182 0.018 RESID 274 (A): CA 52.030 52.030 53.005 -0.975 RESID 274 (A): CB 19.580 19.580 19.415 0.165 RESID 274 (A): H 7.495 7.495 7.832 -0.337 RESID 275 (N): N 119.900 119.900 118.233 1.667 RESID 275 (N): C 175.700 175.700 174.009 1.691 RESID 275 (N): CA 51.030 51.030 51.367 -0.337 RESID 275 (N): CB 38.590 38.590 37.029 1.560 RESID 275 (N): H 7.200 7.200 7.955 -0.755 RESID 276 (P): C 178.900 178.900 178.494 0.406 RESID 276 (P): CA 65.190 65.190 65.462 -0.272 RESID 276 (P): CB 32.440 32.440 32.040 0.400 RESID 277 (L): N 116.700 116.700 117.415 -0.715 RESID 277 (L): C 178.000 178.000 178.905 -0.905 RESID 277 (L): CA 56.630 56.630 57.553 -0.923 RESID 277 (L): CB 41.720 41.720 41.504 0.216 RESID 277 (L): H 7.777 7.777 7.928 -0.151 RESID 278 (L): N 115.100 115.100 116.576 -1.476 RESID 278 (L): C 176.600 176.600 177.874 -1.274 RESID 278 (L): CA 53.200 53.200 54.946 -1.746 RESID 278 (L): CB 40.960 40.960 41.305 -0.345 RESID 278 (L): H 7.485 7.485 7.679 -0.194 RESID 279 (A): N 118.600 118.600 123.104 -4.504 RESID 279 (A): C 177.700 177.700 177.808 -0.108 RESID 279 (A): CA 55.090 55.090 54.369 0.721 RESID 279 (A): CB 19.710 19.710 18.605 1.105 RESID 279 (A): H 6.665 6.665 7.909 -1.244 RESID 280 (H): N 111.600 111.600 115.290 -3.690 RESID 280 (H): C 175.500 175.500 175.203 0.297 RESID 280 (H): CA 55.360 55.360 56.251 -0.891 RESID 280 (H): CB 29.540 29.540 28.635 0.905 RESID 280 (H): H 8.337 8.337 8.188 0.149 RESID 281 (L): N 124.100 124.100 122.507 1.593 RESID 281 (L): C 176.300 176.300 175.869 0.431 RESID 281 (L): CA 53.330 53.330 52.944 0.386 RESID 281 (L): CB 40.490 40.490 41.949 -1.459 RESID 281 (L): H 7.289 7.289 7.443 -0.154 RESID 282 (P): C 178.200 178.200 178.380 -0.180 RESID 282 (P): CA 66.050 66.050 65.686 0.364 RESID 282 (P): CB 32.150 32.150 31.722 0.428 RESID 283 (A): N 116.000 116.000 119.220 -3.220 RESID 283 (A): C 179.000 179.000 179.850 -0.850 RESID 283 (A): CA 55.630 55.630 55.193 0.437 RESID 283 (A): CB 19.490 19.490 18.185 1.305 RESID 283 (A): H 7.969 7.969 8.425 -0.456 RESID 284 (V): N 115.200 115.200 118.490 -3.290 RESID 284 (V): C 180.000 180.000 178.928 1.072 RESID 284 (V): CA 65.640 65.640 65.891 -0.251 RESID 284 (V): CB 32.560 32.560 30.817 1.743 RESID 284 (V): H 6.557 6.557 7.678 -1.121 RESID 285 (Q): N 121.200 121.200 120.432 0.768 RESID 285 (Q): C 178.000 178.000 177.656 0.344 RESID 285 (Q): CA 59.500 59.500 58.795 0.705 RESID 285 (Q): CB 29.080 29.080 28.608 0.472 RESID 285 (Q): H 8.581 8.581 7.803 0.778 RESID 286 (N): N 112.600 112.600 113.985 -1.385 RESID 286 (N): C 174.500 174.500 173.856 0.644 RESID 286 (N): CA 53.160 53.160 52.725 0.435 RESID 286 (N): CB 38.390 38.390 38.743 -0.353 RESID 286 (N): H 8.117 8.117 8.049 0.068 RESID 287 (K): N 118.500 118.500 115.939 2.561 RESID 287 (K): C 176.100 176.100 176.216 -0.116 RESID 287 (K): CA 57.540 57.540 57.303 0.237 RESID 287 (K): CB 28.570 28.570 29.544 -0.974 RESID 287 (K): H 7.724 7.724 7.688 0.036 RESID 288 (Q): N 119.700 119.700 117.142 2.558 RESID 288 (Q): C 173.700 173.700 174.078 -0.378 RESID 288 (Q): CA 52.970 52.970 54.829 -1.859 RESID 288 (Q): CB 28.640 28.640 28.978 -0.338 RESID 288 (Q): H 8.895 8.895 8.424 0.471 RESID 289 (V): N 119.200 119.200 118.615 0.585 RESID 289 (V): C 175.100 175.100 175.145 -0.045 RESID 289 (V): CA 61.600 61.600 61.123 0.476 RESID 289 (V): CB 32.610 32.610 34.001 -1.391 RESID 289 (V): H 6.246 6.246 6.911 -0.665 RESID 290 (Y): N 125.700 125.700 124.709 0.991 RESID 290 (Y): C 174.100 174.100 174.392 -0.292 RESID 290 (Y): CA 56.830 56.830 56.641 0.190 RESID 290 (Y): CB 40.950 40.950 42.365 -1.415 RESID 290 (Y): H 8.682 8.682 9.054 -0.372 RESID 291 (A): N 126.900 126.900 122.038 4.862 RESID 291 (A): C 178.300 178.300 176.724 1.576 RESID 291 (A): CA 51.560 51.560 50.394 1.166 RESID 291 (A): CB 19.670 19.670 21.244 -1.574 RESID 291 (A): H 9.057 9.057 8.656 0.401 RESID 292 (L): N 120.800 120.800 119.823 0.977 RESID 292 (L): C 175.500 175.500 176.233 -0.733 RESID 292 (L): CA 54.880 54.880 54.252 0.628 RESID 292 (L): CB 42.490 42.490 42.270 0.220 RESID 292 (L): H 8.342 8.342 8.922 -0.580 RESID 293 (G): N 107.500 107.500 103.834 3.666 RESID 293 (G): C 177.600 177.600 174.064 3.536 RESID 293 (G): CA 45.110 45.110 44.433 0.677 RESID 293 (G): H 7.973 7.973 7.385 0.588 RESID 294 (T): N 117.800 117.800 116.741 1.059 RESID 294 (T): C 176.400 176.400 176.016 0.384 RESID 294 (T): CA 65.260 65.260 65.246 0.015 RESID 294 (T): CB 68.310 68.310 69.169 -0.859 RESID 294 (T): H 8.808 8.808 8.572 0.236 RESID 295 (E): N 122.100 122.100 119.923 2.177 RESID 295 (E): C 177.700 177.700 176.588 1.112 RESID 295 (E): CA 58.540 58.540 58.313 0.227 RESID 295 (E): CB 29.010 29.010 28.772 0.238 RESID 295 (E): H 10.380 10.380 8.842 1.538 RESID 296 (T): N 103.000 103.000 108.620 -5.620 RESID 296 (T): C 173.600 173.600 174.300 -0.700 RESID 296 (T): CA 62.320 62.320 61.215 1.105 RESID 296 (T): CB 69.170 69.170 67.753 1.417 RESID 296 (T): H 7.062 7.062 7.910 -0.848 RESID 297 (F): N 121.500 121.500 123.065 -1.565 RESID 297 (F): C 174.500 174.500 175.860 -1.360 RESID 297 (F): CA 61.700 61.700 61.050 0.650 RESID 297 (F): CB 39.640 39.640 39.778 -0.138 RESID 297 (F): H 8.108 8.108 7.808 0.300 RESID 298 (R): N 116.800 116.800 119.762 -2.962 RESID 298 (R): C 176.000 176.000 175.096 0.904 RESID 298 (R): CA 54.160 54.160 55.751 -1.591 RESID 298 (R): CB 32.460 32.460 31.099 1.361 RESID 298 (R): H 7.552 7.552 8.254 -0.702 RESID 299 (L): N 125.500 125.500 126.271 -0.771 RESID 299 (L): C 174.800 174.800 174.672 0.128 RESID 299 (L): CA 54.300 54.300 53.946 0.354 RESID 299 (L): CB 41.670 41.670 43.960 -2.290 RESID 299 (L): H 8.903 8.903 8.404 0.499 RESID 300 (D): N 124.600 124.600 124.074 0.526 RESID 300 (D): C 173.400 173.400 175.594 -2.194 RESID 300 (D): CA 51.880 51.880 53.179 -1.299 RESID 300 (D): CB 43.230 43.230 42.456 0.774 RESID 300 (D): H 7.735 7.735 8.741 -1.006 RESID 301 (Y): N 118.100 118.100 121.432 -3.332 RESID 301 (Y): C 175.300 175.300 176.184 -0.884 RESID 301 (Y): CA 61.650 61.650 63.310 -1.661 RESID 301 (Y): CB 38.740 38.740 38.707 0.033 RESID 301 (Y): H 7.943 7.943 8.996 -1.053 RESID 302 (Y): N 112.300 112.300 115.873 -3.573 RESID 302 (Y): C 180.800 180.800 177.714 3.086 RESID 302 (Y): CA 61.970 61.970 60.888 1.082 RESID 302 (Y): CB 37.990 37.990 38.078 -0.087 RESID 302 (Y): H 7.309 7.309 8.085 -0.776 RESID 303 (S): N 119.100 119.100 115.496 3.604 RESID 303 (S): C 176.300 176.300 176.565 -0.265 RESID 303 (S): CA 60.690 60.690 61.279 -0.589 RESID 303 (S): CB 63.180 63.180 62.980 0.200 RESID 303 (S): H 9.411 9.411 9.470 -0.059 RESID 304 (A): N 126.900 126.900 125.602 1.298 RESID 304 (A): C 180.400 180.400 179.434 0.966 RESID 304 (A): CA 56.000 56.000 54.937 1.063 RESID 304 (A): CB 18.040 18.040 17.954 0.086 RESID 304 (A): H 8.860 8.860 7.867 0.993 RESID 305 (M): N 116.600 116.600 117.984 -1.384 RESID 305 (M): C 179.300 179.300 178.881 0.419 RESID 305 (M): CA 57.880 57.880 59.770 -1.890 RESID 305 (M): CB 31.350 31.350 32.390 -1.040 RESID 305 (M): H 7.346 7.346 7.504 -0.158 RESID 306 (Q): N 119.300 119.300 118.808 0.492 RESID 306 (Q): C 179.000 179.000 178.838 0.162 RESID 306 (Q): CA 59.410 59.410 58.883 0.527 RESID 306 (Q): CB 28.450 28.450 28.826 -0.376 RESID 306 (Q): H 7.633 7.633 7.773 -0.140 RESID 308 (L): C 178.700 178.700 178.492 0.208 RESID 308 (L): CA 58.690 58.690 58.427 0.263 RESID 308 (L): CB 41.790 41.790 41.384 0.406 RESID 309 (D): N 119.100 119.100 119.053 0.047 RESID 309 (D): C 179.600 179.600 178.882 0.718 RESID 309 (D): CA 57.830 57.830 57.543 0.287 RESID 309 (D): CB 40.820 40.820 40.334 0.486 RESID 309 (D): H 7.984 7.984 8.023 -0.039 RESID 310 (R): N 121.700 121.700 120.617 1.083 RESID 310 (R): C 178.900 178.900 178.732 0.168 RESID 310 (R): CA 58.590 58.590 59.193 -0.603 RESID 310 (R): CB 29.820 29.820 30.151 -0.331 RESID 310 (R): H 8.463 8.463 7.597 0.866 RESID 311 (L): N 119.200 119.200 119.895 -0.695 RESID 311 (L): C 178.800 178.800 178.721 0.079 RESID 311 (L): CA 58.380 58.380 58.108 0.272 RESID 311 (L): CB 42.340 42.340 41.843 0.497 RESID 311 (L): H 8.489 8.489 8.323 0.166 RESID 312 (K): N 116.500 116.500 118.725 -2.225 RESID 312 (K): C 178.000 178.000 178.400 -0.400 RESID 312 (K): CA 59.250 59.250 59.171 0.079 RESID 312 (K): CB 32.440 32.440 32.492 -0.052 RESID 312 (K): H 7.955 7.955 8.168 -0.213 RESID 313 (A): N 119.500 119.500 120.775 -1.275 RESID 313 (A): C 180.000 180.000 178.647 1.353 RESID 313 (A): CA 53.920 53.920 53.279 0.641 RESID 313 (A): CB 18.800 18.800 19.254 -0.454 RESID 313 (A): H 7.427 7.427 7.743 -0.316 RESID 314 (L): N 119.500 119.500 119.175 0.325 RESID 314 (L): C 177.400 177.400 176.454 0.946 RESID 314 (L): CA 56.770 56.770 57.237 -0.467 RESID 314 (L): CB 43.730 43.730 42.357 1.373 RESID 314 (L): H 7.431 7.431 8.122 -0.691 N HA C CA CB H RESID 26 (W): -3.383 ----- -0.874 0.398 3.272 0.119 RESID 27 (P): ----- ----- -0.005 -0.298 4.938 ----- RESID 28 (R): -3.847 ----- -1.393 0.731 0.758 0.070 RESID 29 (Q): -0.829 ----- 0.591 -1.258 1.445 -0.076 RESID 30 (I): -1.791 ----- 0.593 -0.925 -0.493 1.082 RESID 31 (T): 3.214 ----- 0.729 -1.311 1.053 0.587 RESID 32 (D): 5.639 ----- 1.403 0.817 -0.485 1.402 RESID 33 (S): -4.434 ----- -0.552 0.380 -0.382 -0.216 RESID 34 (R): -2.382 ----- -0.635 -3.660 0.185 0.473 RESID 35 (G): 5.156 ----- -2.252 -0.501 ----- -0.757 RESID 36 (T): 0.142 ----- 0.781 0.025 -0.091 0.583 RESID 37 (H): 0.479 ----- 0.723 -1.270 -2.025 0.361 RESID 38 (T): 4.487 ----- 1.399 2.120 -1.251 1.618 RESID 39 (L): 7.221 ----- 0.099 0.518 -0.921 0.470 RESID 40 (E): -1.655 ----- -0.316 0.311 0.486 0.135 RESID 41 (S): -1.821 ----- -1.478 -0.899 0.599 -0.155 RESID 42 (Q): 3.294 ----- -0.152 -2.015 0.552 -1.268 RESID 43 (P): ----- ----- -0.179 0.716 0.100 ----- RESID 44 (Q): 2.621 ----- -0.618 -1.497 2.814 2.607 RESID 45 (R): 8.337 ----- 0.507 0.116 -0.130 2.473 RESID 47 (V): ----- ----- 0.337 -0.270 -0.138 ----- RESID 48 (S): -2.051 ----- 2.108 -1.768 -1.118 -0.597 RESID 49 (T): 5.219 ----- -2.776 0.911 -0.235 -0.101 RESID 50 (S): -0.473 ----- -0.565 -2.020 -0.023 -0.109 RESID 51 (V): 4.910 ----- -2.802 -0.310 -0.101 0.177 RESID 52 (T): 0.559 ----- 3.228 0.867 0.266 -0.126 RESID 53 (L): 1.113 ----- 0.445 -0.697 0.833 -0.511 RESID 54 (T): 1.764 ----- -1.736 -0.660 ----- -0.075 RESID 55 (G): -3.700 ----- -0.191 0.297 ----- -1.264 RESID 56 (S): -0.766 ----- -1.158 1.918 1.967 -1.240 RESID 58 (L): ----- ----- 1.776 -0.286 -0.126 ----- RESID 59 (A): -0.737 ----- -0.290 0.746 -0.325 -0.296 RESID 60 (I): ----- ----- -1.536 0.180 0.405 ----- RESID 61 (D): -2.429 ----- 0.229 0.054 -0.041 0.006 RESID 62 (A): -3.322 ----- 2.621 -1.099 -1.718 0.162 RESID 63 (P): ----- ----- -2.165 0.444 -4.892 ----- RESID 64 (V): 3.996 ----- -0.928 -1.455 -0.773 0.429 RESID 65 (I): -4.359 ----- 1.537 -3.022 1.268 0.259 RESID 66 (A): 4.218 ----- -0.135 0.684 1.450 -0.435 RESID 67 (S): -5.120 ----- 2.282 -2.075 -2.411 0.232 RESID 68 (G): 5.646 ----- -1.612 2.059 ----- -1.063 RESID 69 (A): -3.673 ----- 2.668 -1.173 2.065 -0.825 RESID 70 (T): 5.428 ----- -2.733 -3.151 1.120 1.011 RESID 71 (T): -5.393 ----- -0.424 0.047 1.557 -0.806 RESID 72 (P): ----- ----- 0.966 -0.188 0.712 ----- RESID 73 (N): -4.405 ----- -1.616 0.723 -1.445 -0.701 RESID 74 (N): ----- ----- -1.148 5.013 0.353 ----- RESID 75 (R): -6.293 ----- -0.155 1.074 1.042 -0.291 RESID 76 (V): -10.304 ----- 0.063 -2.918 2.037 -0.827 RESID 77 (A): 5.911 ----- -1.076 -1.031 5.113 0.724 RESID 78 (D): 1.801 ----- 2.219 -0.939 0.363 0.432 RESID 79 (D): 0.865 ----- 0.281 1.058 0.855 -0.164 RESID 80 (Q): -4.383 ----- -1.179 -1.513 2.390 -0.173 RESID 81 (G): -0.003 ----- 0.861 0.955 ----- -0.648 RESID 82 (F): 0.621 ----- -0.434 -4.248 -2.646 0.304 RESID 83 (L): ----- ----- 0.971 0.335 -3.487 ----- RESID 84 (R): 0.357 ----- 0.774 3.497 1.652 -0.686 RESID 85 (Q): -2.599 ----- -2.662 0.216 -3.177 1.871 RESID 86 (W): -6.529 ----- -1.789 -5.086 -2.064 -1.955 RESID 87 (S): 3.769 ----- 1.465 0.546 ----- -1.280 RESID 88 (K): -3.952 ----- 0.183 0.473 -0.091 0.989 RESID 89 (V): 6.313 ----- 0.800 0.072 0.501 -0.735 RESID 90 (A): -0.407 ----- 1.094 1.371 1.440 0.686 RESID 91 (K): -0.410 ----- 3.030 1.008 -0.001 -0.237 RESID 92 (E): 5.052 ----- 1.512 2.300 -0.645 0.488 RESID 93 (R): -3.154 ----- 0.309 0.793 -1.519 -0.268 RESID 94 (K): 1.769 ----- 0.665 -0.679 -1.458 -0.709 RESID 95 (L): -1.032 ----- 0.283 0.704 1.028 0.043 RESID 96 (Q): 0.428 ----- -0.967 0.641 0.323 -0.879 RESID 97 (R): 6.421 ----- 0.588 -0.997 1.626 0.497 RESID 98 (L): 3.426 ----- -0.428 2.394 3.362 -0.451 RESID 99 (Y): -2.022 ----- -1.390 -0.824 -0.990 -1.354 RESID 100 (I): -6.193 ----- -0.346 -1.814 3.573 0.108 RESID 101 (G): 0.907 ----- -0.683 2.208 ----- -0.250 RESID 102 (E): 10.930 ----- -0.768 0.493 2.033 0.294 RESID 103 (P): ----- ----- -0.823 -1.369 -0.081 ----- RESID 104 (S): -5.233 ----- 0.141 -3.125 -0.029 -2.552 RESID 105 (A): 0.185 ----- 0.335 0.735 -0.905 0.336 RESID 106 (E): 0.374 ----- 0.437 1.242 -0.477 0.150 RESID 107 (A): -0.537 ----- 0.361 -0.287 0.776 -0.153 RESID 108 (V): -1.946 ----- -0.806 0.955 -0.304 -0.511 RESID 109 (A): -1.432 ----- 1.884 0.619 -0.135 0.130 RESID 110 (A): -0.761 ----- 0.247 -0.251 -0.024 -0.329 RESID 111 (Q): -1.087 ----- -1.072 0.889 -0.123 -0.288 RESID 112 (M): -6.085 ----- 0.073 0.356 -1.435 -0.058 RESID 113 (P): ----- ----- 0.468 0.204 0.425 ----- RESID 114 (D): -2.236 ----- -0.083 -2.091 -1.831 0.614 RESID 115 (L): ----- ----- 0.622 -1.413 ----- ----- RESID 116 (I): -2.835 ----- ----- -0.113 ----- 1.339 RESID 118 (I): ----- ----- -0.971 0.426 1.002 ----- RESID 119 (S): 0.480 ----- 0.595 -0.593 0.663 1.043 RESID 120 (A): 1.578 ----- -0.477 -0.050 1.529 -0.506 RESID 121 (T): -4.166 ----- -0.083 -2.456 1.599 -0.215 RESID 122 (G): -6.419 ----- 3.073 -0.767 ----- 0.161 RESID 123 (G): ----- ----- -0.208 1.043 ----- ----- RESID 124 (D): -2.412 ----- 0.970 -0.588 0.067 0.827 RESID 125 (S): -4.118 ----- 1.646 0.060 0.139 -1.103 RESID 126 (A): 4.751 ----- -1.955 -2.347 -2.236 0.260 RESID 127 (L): 0.000 ----- 0.540 1.464 1.238 -0.787 RESID 128 (A): 3.389 ----- 0.724 0.805 -0.493 1.293 RESID 129 (L): 0.519 ----- -0.904 -1.269 -0.365 0.364 RESID 130 (Y): -0.894 ----- 0.294 1.534 1.055 -1.106 RESID 131 (D): 1.166 ----- -0.082 0.637 0.296 0.920 RESID 132 (Q): -0.966 ----- 0.277 0.203 0.576 -0.134 RESID 133 (L): -0.302 ----- -0.715 0.330 -0.808 -0.469 RESID 134 (S): -3.212 ----- -0.496 0.324 0.784 -0.329 RESID 135 (T): -5.251 ----- -1.171 -2.045 0.659 -0.643 RESID 136 (I): 3.970 ----- 0.255 -0.048 0.353 0.416 RESID 137 (A): 1.962 ----- -1.611 -0.144 -0.137 -0.477 RESID 138 (P): ----- ----- -1.460 1.244 -0.278 ----- RESID 139 (T): 2.103 ----- -0.038 -1.295 1.970 0.001 RESID 140 (L): ----- ----- 0.595 -0.793 0.716 ----- RESID 141 (I): -2.351 ----- 0.969 -1.043 1.207 1.457 RESID 142 (I): 1.661 ----- 0.217 -1.929 -2.365 0.193 RESID 143 (N): 5.005 ----- 0.450 -1.907 0.103 0.714 RESID 144 (Y): -5.977 ----- 1.735 -3.647 -0.200 0.213 RESID 145 (D): 0.767 ----- 1.766 -0.205 3.336 0.442 RESID 146 (D): 4.123 ----- -0.054 -0.375 -1.682 -1.054 RESID 147 (K): -5.755 ----- -0.273 -1.544 -1.763 -0.549 RESID 148 (S): -0.498 ----- -0.381 -0.058 0.709 0.223 RESID 149 (W): 1.736 ----- 2.068 1.326 -0.729 -0.129 RESID 150 (Q): 3.201 ----- 0.243 3.372 -1.169 1.610 RESID 151 (S): 1.153 ----- 0.575 0.643 0.762 0.061 RESID 152 (L): 2.566 ----- 0.550 0.393 0.297 0.075 RESID 153 (L): 0.576 ----- 1.040 1.432 -0.100 0.937 RESID 154 (T): 3.500 ----- 0.305 1.315 0.537 0.143 RESID 155 (Q): 3.504 ----- 1.194 1.375 0.264 0.325 RESID 156 (L): ----- ----- 1.634 0.618 -0.131 ----- RESID 157 (G): 5.786 ----- -0.563 1.788 ----- 1.207 RESID 158 (E): 4.832 ----- 0.648 1.250 0.316 0.020 RESID 160 (T): ----- ----- 2.287 -1.154 2.664 ----- RESID 161 (G): -0.282 ----- 0.450 1.244 ----- -0.876 RESID 162 (H): 4.974 ----- -2.153 -0.462 -3.007 0.670 RESID 163 (E): 1.742 ----- 2.330 1.425 -0.437 1.533 RESID 164 (K): 1.101 ----- -0.011 -0.352 0.187 0.376 RESID 165 (Q): 1.333 ----- 0.399 2.114 -0.157 -0.049 RESID 166 (A): -1.320 ----- -1.426 1.320 0.223 -0.159 RESID 167 (A): -3.043 ----- 1.885 -0.157 -0.307 -1.102 RESID 168 (E): 1.526 ----- 0.468 -0.005 0.453 0.317 RESID 170 (I): ----- ----- 0.000 1.579 1.355 ----- RESID 171 (A): -2.493 ----- 1.363 -0.351 0.149 -0.782 RESID 172 (Q): 2.569 ----- 0.616 0.705 -0.260 0.638 RESID 173 (F): -0.105 ----- -1.007 1.605 0.362 -0.313 RESID 174 (D): 0.878 ----- 1.417 0.547 -0.098 -0.269 RESID 175 (K): 1.076 ----- 1.165 -0.013 0.315 -0.068 RESID 176 (Q): 2.100 ----- 0.768 -0.477 -0.533 0.348 RESID 177 (L): 6.008 ----- -0.269 2.655 -0.161 1.210 RESID 178 (A): -1.065 ----- 1.369 0.194 0.089 -0.541 RESID 179 (A): -0.791 ----- 0.726 0.341 -0.408 0.052 RESID 180 (A): 0.013 ----- 0.094 0.755 -0.284 0.179 RESID 181 (K): 0.122 ----- -0.113 0.625 0.699 0.023 RESID 182 (E): -2.133 ----- -0.121 0.739 1.095 -0.556 RESID 183 (Q): -0.681 ----- 1.035 0.246 0.409 -0.179 RESID 184 (I): 1.929 ----- 0.957 3.252 0.344 0.296 RESID 185 (K): 4.726 ----- -0.032 -0.570 -2.898 0.830 RESID 186 (L): -1.059 ----- -0.207 2.355 0.373 -0.430 RESID 188 (P): ----- ----- -1.456 1.472 1.016 ----- RESID 189 (Q): 0.174 ----- 1.883 -2.397 0.966 -0.165 RESID 190 (P): ----- ----- -0.039 0.352 2.630 ----- RESID 191 (V): -9.025 ----- 0.331 0.224 0.331 0.658 RESID 192 (T): 7.363 ----- 0.216 3.502 0.295 0.151 RESID 193 (A): 9.913 ----- -0.002 -0.555 -0.294 1.608 RESID 194 (I): -2.082 ----- 2.897 -0.455 1.812 0.745 RESID 195 (V): -4.291 ----- 2.129 1.797 0.150 -0.153 RESID 196 (Y): 2.706 ----- 0.544 -0.412 1.101 1.002 RESID 197 (T): 1.500 ----- 0.924 0.115 -3.006 0.434 RESID 198 (A): -0.364 ----- 1.251 1.191 0.093 -0.325 RESID 199 (A): -4.737 ----- -1.029 -0.490 0.371 0.308 RESID 200 (A): -3.851 ----- -0.636 -0.806 1.331 -1.450 RESID 201 (H): 0.455 ----- -0.497 0.385 -0.422 -0.176 RESID 202 (S): -3.642 ----- -0.356 -0.925 -0.249 -0.648 RESID 203 (A): -2.738 ----- -0.449 -0.648 2.222 0.386 RESID 204 (N): 0.054 ----- -0.159 -0.558 -2.089 0.113 RESID 205 (L): 5.473 ----- 0.131 0.856 1.532 1.655 RESID 206 (W): 1.644 ----- 0.655 -0.737 -1.138 0.634 RESID 207 (T): 1.779 ----- 2.812 0.888 -1.867 -0.110 RESID 208 (P): ----- ----- -0.851 0.724 -0.214 ----- RESID 209 (E): -2.729 ----- 0.295 0.071 -0.387 -0.360 RESID 210 (S): 0.724 ----- -1.630 -1.077 2.842 0.223 RESID 211 (A): -2.114 ----- 0.750 0.099 -0.228 -0.147 RESID 212 (Q): 0.572 ----- -0.914 2.441 -0.327 0.019 RESID 213 (G): -0.147 ----- -0.916 0.688 ----- -0.244 RESID 214 (Q): -0.762 ----- 0.613 0.291 0.419 0.430 RESID 215 (M): -1.422 ----- -0.373 0.119 -0.792 -0.292 RESID 216 (L): -2.999 ----- 0.866 0.512 -1.447 -0.461 RESID 217 (E): 1.348 ----- 2.955 1.282 -0.269 0.209 RESID 218 (Q): 5.180 ----- -0.794 0.950 -0.259 0.552 RESID 219 (L): 0.542 ----- -2.234 -1.387 1.452 -0.327 RESID 220 (G): 1.922 ----- 1.772 0.066 ----- -0.382 RESID 221 (F): 0.173 ----- 0.855 1.939 -3.839 0.228 RESID 222 (T): 1.582 ----- 0.517 0.595 1.622 0.394 RESID 223 (L): 1.196 ----- 1.655 1.359 -1.151 1.067 RESID 224 (A): -1.275 ----- 1.547 1.476 -2.189 0.978 RESID 225 (K): 2.209 ----- 0.611 0.020 0.172 0.238 RESID 226 (L): -1.816 ----- -0.110 -0.515 0.476 0.113 RESID 227 (P): ----- ----- -0.272 -0.036 0.174 ----- RESID 228 (A): 0.062 ----- 1.033 0.716 0.008 -0.099 RESID 229 (G): 0.222 ----- -1.005 0.612 ----- 0.473 RESID 230 (L): -1.264 ----- -1.440 0.073 0.943 -0.431 RESID 231 (N): -0.432 ----- -0.610 -2.494 0.945 0.182 RESID 232 (A): 4.893 ----- 0.025 1.423 1.295 0.185 RESID 233 (S): -0.048 ----- -0.482 -1.710 0.949 -0.275 RESID 234 (Q): 1.467 ----- 0.714 0.179 -1.323 0.445 RESID 235 (S): -0.969 ----- 0.239 0.005 1.604 -0.210 RESID 236 (Q): -4.831 ----- 1.265 1.125 1.629 -0.497 RESID 237 (G): 1.387 ----- 1.138 0.252 ----- 0.807 RESID 238 (K): -0.977 ----- 1.110 0.485 0.556 -0.389 RESID 239 (R): -4.088 ----- ----- 0.185 0.650 -0.342 RESID 240 (H): ----- ----- -1.722 -2.865 -0.309 ----- RESID 241 (D): 0.571 ----- -1.568 -0.487 -0.672 0.658 RESID 242 (I): 0.192 ----- 1.208 -0.313 2.755 -0.324 RESID 243 (I): -1.010 ----- 1.028 -0.299 2.918 0.212 RESID 244 (Q): 0.871 ----- 1.046 1.530 0.010 0.171 RESID 245 (L): 1.987 ----- -0.404 0.672 0.239 0.292 RESID 246 (G): 4.642 ----- -0.126 -0.445 ----- -0.019 RESID 247 (G): -0.158 ----- 1.819 3.144 ----- 0.933 RESID 248 (E): 2.542 ----- 0.767 1.058 0.069 0.457 RESID 249 (N): 0.305 ----- -0.495 -0.202 0.686 0.381 RESID 250 (L): 1.182 ----- -1.003 1.790 0.749 -0.693 RESID 251 (A): -5.007 ----- 1.335 0.681 -0.428 -0.172 RESID 252 (A): -1.181 ----- 0.780 1.594 0.007 -1.036 RESID 253 (G): -7.300 ----- -2.094 0.364 ----- 0.035 RESID 254 (L): 1.944 ----- -2.283 -1.842 -3.010 -0.593 RESID 255 (N): -7.731 ----- 0.351 -0.594 -1.225 -1.143 RESID 256 (G): 2.522 ----- -2.352 0.439 ----- -0.702 RESID 257 (E): 1.317 ----- 1.353 1.308 -0.842 -0.190 RESID 258 (S): -6.249 ----- 0.068 -0.538 2.614 -0.843 RESID 259 (L): -2.624 ----- -2.584 -0.737 3.879 0.934 RESID 260 (F): 0.635 ----- -1.834 1.491 1.127 1.151 RESID 261 (L): 3.715 ----- 0.494 0.823 -4.044 0.862 RESID 262 (F): 1.553 ----- -0.324 1.852 1.431 0.223 RESID 263 (A): -2.225 ----- -1.725 0.984 2.892 0.605 RESID 264 (G): -7.063 ----- -1.628 0.480 ----- -1.135 RESID 265 (D): -0.363 ----- 0.031 -1.123 0.575 0.941 RESID 266 (Q): -1.204 ----- 0.145 -0.442 -0.157 -0.329 RESID 267 (K): -1.084 ----- 2.313 -0.157 -0.347 -0.042 RESID 268 (D): 1.945 ----- -0.939 1.003 1.298 -0.476 RESID 269 (A): 0.224 ----- 0.587 0.717 -0.703 -0.249 RESID 270 (D): 0.327 ----- 2.789 1.261 -0.394 0.782 RESID 271 (A): 3.028 ----- 1.474 1.477 -1.033 0.529 RESID 272 (I): -120.463 ----- 1.347 -0.772 -2.419 -1.063 RESID 273 (Y): -0.690 ----- 0.227 2.822 1.940 0.212 RESID 274 (A): -3.247 ----- 0.018 -0.975 0.165 -0.337 RESID 275 (N): 1.667 ----- 1.691 -0.337 1.560 -0.755 RESID 276 (P): ----- ----- 0.406 -0.272 0.400 ----- RESID 277 (L): -0.715 ----- -0.905 -0.923 0.216 -0.151 RESID 278 (L): -1.476 ----- -1.274 -1.746 -0.345 -0.194 RESID 279 (A): -4.504 ----- -0.108 0.721 1.105 -1.244 RESID 280 (H): -3.690 ----- 0.297 -0.891 0.905 0.149 RESID 281 (L): 1.593 ----- 0.431 0.386 -1.459 -0.154 RESID 282 (P): ----- ----- -0.180 0.364 0.428 ----- RESID 283 (A): -3.220 ----- -0.850 0.437 1.305 -0.456 RESID 284 (V): -3.290 ----- 1.072 -0.251 1.743 -1.121 RESID 285 (Q): 0.768 ----- 0.344 0.705 0.472 0.778 RESID 286 (N): -1.385 ----- 0.644 0.435 -0.353 0.068 RESID 287 (K): 2.561 ----- -0.116 0.237 -0.974 0.036 RESID 288 (Q): 2.558 ----- -0.378 -1.859 -0.338 0.471 RESID 289 (V): 0.585 ----- -0.045 0.476 -1.391 -0.665 RESID 290 (Y): 0.991 ----- -0.292 0.190 -1.415 -0.372 RESID 291 (A): 4.862 ----- 1.576 1.166 -1.574 0.401 RESID 292 (L): 0.977 ----- -0.733 0.628 0.220 -0.580 RESID 293 (G): 3.666 ----- 3.536 0.677 ----- 0.588 RESID 294 (T): 1.059 ----- 0.384 0.015 -0.859 0.236 RESID 295 (E): 2.177 ----- 1.112 0.227 0.238 1.538 RESID 296 (T): -5.620 ----- -0.700 1.105 1.417 -0.848 RESID 297 (F): -1.565 ----- -1.360 0.650 -0.138 0.300 RESID 298 (R): -2.962 ----- 0.904 -1.591 1.361 -0.702 RESID 299 (L): -0.771 ----- 0.128 0.354 -2.290 0.499 RESID 300 (D): 0.526 ----- -2.194 -1.299 0.774 -1.006 RESID 301 (Y): -3.332 ----- -0.884 -1.661 0.033 -1.053 RESID 302 (Y): -3.573 ----- 3.086 1.082 -0.087 -0.776 RESID 303 (S): 3.604 ----- -0.265 -0.589 0.200 -0.059 RESID 304 (A): 1.298 ----- 0.966 1.063 0.086 0.993 RESID 305 (M): -1.384 ----- 0.419 -1.890 -1.040 -0.158 RESID 306 (Q): 0.492 ----- 0.162 0.527 -0.376 -0.140 RESID 308 (L): ----- ----- 0.208 0.263 0.406 ----- RESID 309 (D): 0.047 ----- 0.718 0.287 0.486 -0.039 RESID 310 (R): 1.083 ----- 0.168 -0.603 -0.331 0.866 RESID 311 (L): -0.695 ----- 0.079 0.272 0.497 0.166 RESID 312 (K): -2.225 ----- -0.400 0.079 -0.052 -0.213 RESID 313 (A): -1.275 ----- 1.353 0.641 -0.454 -0.316 RESID 314 (L): 0.325 ----- 0.946 -0.467 1.373 -0.691 DATA CS_STAT_INFO N RMS: 8.233 ppm Count: 256 Average Difference: 0.474 +/- 8.235 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.222 ppm Count: 281 Average Difference: -0.159 +/- 1.214 ppm DATA CS_STAT_INFO CA RMS: 1.339 ppm Count: 283 Average Difference: -0.103 +/- 1.338 ppm DATA CS_STAT_INFO CB RMS: 1.424 ppm Count: 260 Average Difference: -0.158 +/- 1.418 ppm DATA CS_STAT_INFO HN RMS: 0.717 ppm Count: 256 Average Difference: -0.026 +/- 0.718 ppm ############################################################################ For conformer 16: Atom Original Corrected SPARTA Difference RESID 25 (D): N 120.600 120.600 120.870 -0.270 RESID 25 (D): C 174.400 174.400 175.912 -1.512 RESID 25 (D): CA 55.230 55.230 53.044 2.186 RESID 25 (D): CB 41.340 41.340 41.930 -0.590 RESID 25 (D): H 8.275 8.275 8.213 0.062 RESID 26 (W): N 120.100 120.100 123.611 -3.511 RESID 26 (W): C 174.200 174.200 175.073 -0.873 RESID 26 (W): CA 55.330 55.330 54.996 0.334 RESID 26 (W): CB 31.090 31.090 27.839 3.251 RESID 26 (W): H 7.788 7.788 7.543 0.245 RESID 27 (P): C 175.900 175.900 175.920 -0.020 RESID 27 (P): CA 62.800 62.800 63.088 -0.288 RESID 27 (P): CB 37.260 37.260 32.329 4.931 RESID 28 (R): N 118.000 118.000 121.780 -3.780 RESID 28 (R): C 173.700 173.700 175.130 -1.430 RESID 28 (R): CA 55.160 55.160 54.415 0.745 RESID 28 (R): CB 33.430 33.430 32.660 0.770 RESID 28 (R): H 8.686 8.686 8.597 0.089 RESID 29 (Q): N 120.800 120.800 121.626 -0.826 RESID 29 (Q): C 175.500 175.500 174.936 0.564 RESID 29 (Q): CA 54.780 54.780 56.085 -1.305 RESID 29 (Q): CB 30.700 30.700 29.259 1.440 RESID 29 (Q): H 8.506 8.506 8.598 -0.092 RESID 30 (I): N 124.300 124.300 126.038 -1.738 RESID 30 (I): C 175.700 175.700 175.073 0.627 RESID 30 (I): CA 58.520 58.520 59.393 -0.873 RESID 30 (I): CB 40.680 40.680 41.246 -0.566 RESID 30 (I): H 9.002 9.002 7.957 1.045 RESID 31 (T): N 125.200 125.200 121.893 3.307 RESID 31 (T): C 174.400 174.400 173.671 0.729 RESID 31 (T): CA 62.150 62.150 63.494 -1.344 RESID 31 (T): CB 70.640 70.640 69.588 1.052 RESID 31 (T): H 8.989 8.989 8.399 0.590 RESID 32 (D): N 129.500 129.500 123.672 5.828 RESID 32 (D): C 177.400 177.400 175.974 1.426 RESID 32 (D): CA 52.630 52.630 51.921 0.709 RESID 32 (D): CB 42.950 42.950 43.565 -0.615 RESID 32 (D): H 9.389 9.389 7.945 1.444 RESID 33 (S): N 111.900 111.900 116.406 -4.506 RESID 33 (S): C 175.600 175.600 176.024 -0.424 RESID 33 (S): CA 60.920 60.920 60.586 0.334 RESID 33 (S): CB 63.430 63.430 63.853 -0.423 RESID 33 (S): H 8.075 8.075 8.280 -0.205 RESID 34 (R): N 120.600 120.600 123.133 -2.533 RESID 34 (R): C 176.100 176.100 176.930 -0.830 RESID 34 (R): CA 55.020 55.020 58.538 -3.518 RESID 34 (R): CB 30.850 30.850 30.717 0.133 RESID 34 (R): H 8.433 8.433 7.822 0.611 RESID 35 (G): N 108.900 108.900 103.729 5.171 RESID 35 (G): C 171.200 171.200 173.488 -2.288 RESID 35 (G): CA 45.060 45.060 45.568 -0.508 RESID 35 (G): H 7.837 7.837 8.614 -0.777 RESID 36 (T): N 116.300 116.300 115.852 0.448 RESID 36 (T): C 173.800 173.800 172.830 0.970 RESID 36 (T): CA 62.670 62.670 62.606 0.064 RESID 36 (T): CB 70.000 70.000 70.185 -0.185 RESID 36 (T): H 8.192 8.192 7.652 0.540 RESID 37 (H): N 125.800 125.800 125.331 0.469 RESID 37 (H): C 174.000 174.000 173.270 0.730 RESID 37 (H): CA 54.060 54.060 55.404 -1.344 RESID 37 (H): CB 31.020 31.020 33.074 -2.054 RESID 37 (H): H 8.986 8.986 8.623 0.363 RESID 38 (T): N 121.500 121.500 117.748 3.752 RESID 38 (T): C 174.200 174.200 172.929 1.271 RESID 38 (T): CA 63.190 63.190 61.132 2.058 RESID 38 (T): CB 70.080 70.080 71.325 -1.245 RESID 38 (T): H 9.101 9.101 7.692 1.409 RESID 39 (L): N 129.600 129.600 122.409 7.191 RESID 39 (L): C 176.900 176.900 176.873 0.027 RESID 39 (L): CA 53.990 53.990 53.473 0.517 RESID 39 (L): CB 43.160 43.160 44.133 -0.973 RESID 39 (L): H 9.145 9.145 8.731 0.414 RESID 40 (E): N 124.300 124.300 125.810 -1.510 RESID 40 (E): C 175.600 175.600 175.932 -0.332 RESID 40 (E): CA 59.420 59.420 59.160 0.260 RESID 40 (E): CB 30.710 30.710 30.218 0.492 RESID 40 (E): H 9.164 9.164 9.041 0.123 RESID 41 (S): N 108.300 108.300 110.068 -1.768 RESID 41 (S): C 171.700 171.700 173.175 -1.475 RESID 41 (S): CA 56.270 56.270 57.145 -0.875 RESID 41 (S): CB 65.420 65.420 64.824 0.596 RESID 41 (S): H 7.326 7.326 7.486 -0.160 RESID 42 (Q): N 123.900 123.900 120.591 3.309 RESID 42 (Q): C 174.600 174.600 174.738 -0.138 RESID 42 (Q): CA 53.730 53.730 55.797 -2.067 RESID 42 (Q): CB 28.470 28.470 27.885 0.585 RESID 42 (Q): H 7.339 7.339 8.612 -1.273 RESID 43 (P): C 176.300 176.300 176.514 -0.214 RESID 43 (P): CA 64.080 64.080 63.405 0.675 RESID 43 (P): CB 32.510 32.510 32.416 0.093 RESID 44 (Q): N 125.100 125.100 122.523 2.577 RESID 44 (Q): C 175.400 175.400 176.041 -0.641 RESID 44 (Q): CA 55.780 55.780 57.206 -1.426 RESID 44 (Q): CB 32.660 32.660 29.828 2.832 RESID 44 (Q): H 11.160 11.160 8.568 2.592 RESID 45 (R): N 125.700 125.700 117.542 8.158 RESID 45 (R): C 174.600 174.600 174.083 0.517 RESID 45 (R): CA 55.310 55.310 55.245 0.065 RESID 45 (R): CB 33.070 33.070 33.114 -0.044 RESID 45 (R): H 10.010 10.010 7.564 2.446 RESID 47 (V): C 174.700 174.700 174.342 0.358 RESID 47 (V): CA 60.970 60.970 61.242 -0.272 RESID 47 (V): CB 34.140 34.140 34.395 -0.255 RESID 48 (S): N 118.300 118.300 120.301 -2.001 RESID 48 (S): C 175.500 175.500 173.589 1.911 RESID 48 (S): CA 55.700 55.700 57.645 -1.945 RESID 48 (S): CB 64.750 64.750 65.887 -1.137 RESID 48 (S): H 7.852 7.852 8.495 -0.643 RESID 49 (T): N 116.800 116.800 112.633 4.167 RESID 49 (T): C 171.500 171.500 174.385 -2.885 RESID 49 (T): CA 62.400 62.400 61.459 0.941 RESID 49 (T): CB 69.320 69.320 69.698 -0.378 RESID 49 (T): H 8.283 8.283 8.637 -0.354 RESID 50 (S): N 116.200 116.200 117.060 -0.860 RESID 50 (S): C 174.600 174.600 175.192 -0.592 RESID 50 (S): CA 54.640 54.640 57.139 -2.499 RESID 50 (S): CB 64.000 64.000 64.084 -0.084 RESID 50 (S): H 7.627 7.627 7.693 -0.066 RESID 51 (V): N 134.300 134.300 129.057 5.243 RESID 51 (V): C 175.100 175.100 177.879 -2.779 RESID 51 (V): CA 65.620 65.620 66.036 -0.416 RESID 51 (V): CB 31.790 31.790 31.985 -0.195 RESID 51 (V): H 9.218 9.218 9.021 0.197 RESID 52 (T): N 117.000 117.000 116.596 0.404 RESID 52 (T): C 179.700 179.700 176.377 3.323 RESID 52 (T): CA 67.390 67.390 67.074 0.316 RESID 52 (T): CB 69.130 69.130 68.679 0.451 RESID 52 (T): H 7.841 7.841 7.983 -0.142 RESID 53 (L): N 123.400 123.400 121.964 1.436 RESID 53 (L): C 178.700 178.700 178.169 0.531 RESID 53 (L): CA 57.460 57.460 58.209 -0.749 RESID 53 (L): CB 42.610 42.610 41.748 0.862 RESID 53 (L): H 8.092 8.092 8.605 -0.513 RESID 54 (T): N 117.500 117.500 115.736 1.764 RESID 54 (T): C 174.900 174.900 176.638 -1.738 RESID 54 (T): CA 67.070 67.070 67.746 -0.675 RESID 54 (T): H 8.039 8.039 8.132 -0.093 RESID 55 (G): N 105.500 105.500 109.185 -3.685 RESID 55 (G): C 175.600 175.600 175.776 -0.176 RESID 55 (G): CA 47.260 47.260 46.946 0.314 RESID 55 (G): H 6.591 6.591 7.867 -1.276 RESID 56 (S): N 117.000 117.000 117.787 -0.787 RESID 56 (S): C 175.600 175.600 176.756 -1.156 RESID 56 (S): CA 63.400 63.400 61.445 1.955 RESID 56 (S): CB 65.060 65.060 63.086 1.974 RESID 56 (S): H 6.709 6.709 7.961 -1.252 RESID 58 (L): C 181.200 181.200 179.409 1.791 RESID 58 (L): CA 57.480 57.480 57.749 -0.269 RESID 58 (L): CB 40.810 40.810 40.910 -0.100 RESID 59 (A): N 122.100 122.100 122.890 -0.790 RESID 59 (A): C 178.500 178.500 178.814 -0.314 RESID 59 (A): CA 55.540 55.540 54.806 0.734 RESID 59 (A): CB 18.440 18.440 18.760 -0.320 RESID 59 (A): H 7.797 7.797 8.109 -0.312 RESID 60 (I): C 172.700 172.700 174.239 -1.539 RESID 60 (I): CA 60.390 60.390 60.231 0.159 RESID 60 (I): CB 37.930 37.930 37.466 0.464 RESID 61 (D): N 116.200 116.200 118.555 -2.355 RESID 61 (D): C 174.800 174.800 174.555 0.245 RESID 61 (D): CA 55.850 55.850 55.803 0.047 RESID 61 (D): CB 38.930 38.930 38.959 -0.029 RESID 61 (D): H 7.736 7.736 7.738 -0.002 RESID 62 (A): N 118.900 118.900 121.956 -3.056 RESID 62 (A): C 176.800 176.800 174.117 2.683 RESID 62 (A): CA 50.040 50.040 50.893 -0.853 RESID 62 (A): CB 17.940 17.940 19.573 -1.633 RESID 62 (A): H 7.820 7.820 7.729 0.091 RESID 63 (P): C 173.600 173.600 175.709 -2.109 RESID 63 (P): CA 63.250 63.250 62.632 0.618 RESID 63 (P): CB 27.640 27.640 32.348 -4.708 RESID 64 (V): N 123.100 123.100 119.163 3.937 RESID 64 (V): C 174.800 174.800 175.724 -0.924 RESID 64 (V): CA 58.420 58.420 59.865 -1.445 RESID 64 (V): CB 33.300 33.300 34.103 -0.803 RESID 64 (V): H 8.299 8.299 7.866 0.433 RESID 65 (I): N 122.000 122.000 126.325 -4.325 RESID 65 (I): C 177.100 177.100 175.552 1.548 RESID 65 (I): CA 61.010 61.010 64.043 -3.033 RESID 65 (I): CB 39.480 39.480 38.211 1.269 RESID 65 (I): H 8.589 8.589 8.396 0.193 RESID 66 (A): N 120.700 120.700 116.388 4.312 RESID 66 (A): C 175.100 175.100 175.186 -0.086 RESID 66 (A): CA 51.300 51.300 50.651 0.649 RESID 66 (A): CB 22.980 22.980 21.517 1.463 RESID 66 (A): H 7.246 7.246 7.674 -0.428 RESID 67 (S): N 111.700 111.700 116.726 -5.026 RESID 67 (S): C 176.500 176.500 174.267 2.233 RESID 67 (S): CA 55.230 55.230 57.314 -2.084 RESID 67 (S): CB 65.300 65.300 67.728 -2.428 RESID 67 (S): H 8.561 8.561 8.312 0.249 RESID 68 (G): N 112.900 112.900 107.235 5.665 RESID 68 (G): C 171.000 171.000 172.610 -1.610 RESID 68 (G): CA 46.580 46.580 44.499 2.081 RESID 68 (G): H 7.604 7.604 8.719 -1.115 RESID 69 (A): N 122.300 122.300 126.004 -3.704 RESID 69 (A): C 177.900 177.900 175.236 2.664 RESID 69 (A): CA 51.280 51.280 52.460 -1.180 RESID 69 (A): CB 23.440 23.440 21.370 2.070 RESID 69 (A): H 7.402 7.402 8.212 -0.810 RESID 70 (T): N 119.600 119.600 114.135 5.465 RESID 70 (T): C 171.400 171.400 174.117 -2.717 RESID 70 (T): CA 58.150 58.150 61.312 -3.162 RESID 70 (T): CB 70.880 70.880 69.852 1.028 RESID 70 (T): H 9.171 9.171 8.168 1.003 RESID 71 (T): N 116.500 116.500 121.705 -5.205 RESID 71 (T): C 172.500 172.500 172.908 -0.408 RESID 71 (T): CA 61.680 61.680 61.642 0.038 RESID 71 (T): CB 70.490 70.490 68.945 1.545 RESID 71 (T): H 7.663 7.663 8.481 -0.818 RESID 72 (P): C 177.100 177.100 176.123 0.977 RESID 72 (P): CA 63.390 63.390 63.588 -0.198 RESID 72 (P): CB 32.940 32.940 32.218 0.722 RESID 73 (N): N 115.200 115.200 119.770 -4.570 RESID 73 (N): C 174.600 174.600 176.212 -1.612 RESID 73 (N): CA 54.570 54.570 53.843 0.727 RESID 73 (N): CB 37.020 37.020 38.474 -1.454 RESID 73 (N): H 7.990 7.990 8.698 -0.708 RESID 74 (N): C 175.800 175.800 176.949 -1.149 RESID 74 (N): CA 60.660 60.660 55.646 5.014 RESID 74 (N): CB 38.070 38.070 37.733 0.337 RESID 75 (R): N 114.600 114.600 120.914 -6.314 RESID 75 (R): C 177.400 177.400 177.561 -0.161 RESID 75 (R): CA 59.940 59.940 58.852 1.088 RESID 75 (R): CB 31.110 31.110 30.062 1.048 RESID 75 (R): H 8.049 8.049 8.339 -0.290 RESID 76 (V): N 107.100 107.100 117.419 -10.319 RESID 76 (V): C 176.000 176.000 175.947 0.053 RESID 76 (V): CA 61.110 61.110 64.040 -2.930 RESID 76 (V): CB 33.590 33.590 31.561 2.029 RESID 76 (V): H 7.356 7.356 8.192 -0.836 RESID 77 (A): N 126.900 126.900 121.004 5.896 RESID 77 (A): C 176.500 176.500 177.591 -1.091 RESID 77 (A): CA 51.390 51.390 52.439 -1.049 RESID 77 (A): CB 24.260 24.260 19.148 5.112 RESID 77 (A): H 7.873 7.873 7.158 0.715 RESID 78 (D): N 118.700 118.700 116.933 1.767 RESID 78 (D): C 178.100 178.100 175.896 2.204 RESID 78 (D): CA 51.970 51.970 52.916 -0.946 RESID 78 (D): CB 41.360 41.360 40.996 0.364 RESID 78 (D): H 8.607 8.607 8.179 0.428 RESID 79 (D): N 116.600 116.600 115.758 0.842 RESID 79 (D): C 176.400 176.400 176.117 0.283 RESID 79 (D): CA 56.030 56.030 54.937 1.093 RESID 79 (D): CB 40.100 40.100 39.214 0.886 RESID 79 (D): H 8.258 8.258 8.408 -0.150 RESID 80 (Q): N 117.200 117.200 121.564 -4.364 RESID 80 (Q): C 175.700 175.700 176.882 -1.182 RESID 80 (Q): CA 54.970 54.970 56.492 -1.522 RESID 80 (Q): CB 30.840 30.840 28.426 2.414 RESID 80 (Q): H 8.160 8.160 8.338 -0.178 RESID 81 (G): N 105.300 105.300 105.292 0.008 RESID 81 (G): C 174.200 174.200 173.340 0.860 RESID 81 (G): CA 45.740 45.740 44.791 0.950 RESID 81 (G): H 7.419 7.419 8.063 -0.644 RESID 82 (F): N 121.700 121.700 121.074 0.626 RESID 82 (F): C 175.300 175.300 175.733 -0.433 RESID 82 (F): CA 52.530 52.530 56.778 -4.248 RESID 82 (F): CB 37.430 37.430 40.051 -2.621 RESID 82 (F): H 8.154 8.154 7.847 0.307 RESID 83 (L): C 178.400 178.400 177.442 0.958 RESID 83 (L): CA 55.550 55.550 55.187 0.363 RESID 83 (L): CB 38.480 38.480 41.958 -3.478 RESID 84 (R): N 119.000 119.000 118.701 0.299 RESID 84 (R): C 178.300 178.300 177.540 0.760 RESID 84 (R): CA 60.690 60.690 57.252 3.438 RESID 84 (R): CB 31.530 31.530 29.886 1.645 RESID 84 (R): H 7.746 7.746 8.431 -0.685 RESID 85 (Q): N 116.400 116.400 118.991 -2.591 RESID 85 (Q): C 174.700 174.700 177.397 -2.697 RESID 85 (Q): CA 58.200 58.200 57.984 0.216 RESID 85 (Q): CB 26.140 26.140 29.294 -3.154 RESID 85 (Q): H 9.838 9.838 7.975 1.863 RESID 86 (W): N 115.600 115.600 121.980 -6.380 RESID 86 (W): C 175.900 175.900 177.760 -1.860 RESID 86 (W): CA 55.320 55.320 60.453 -5.133 RESID 86 (W): CB 27.470 27.470 29.617 -2.147 RESID 86 (W): H 6.600 6.600 8.554 -1.954 RESID 87 (S): N 118.500 118.500 114.579 3.921 RESID 87 (S): C 177.300 177.300 175.857 1.443 RESID 87 (S): CA 62.340 62.340 61.825 0.515 RESID 87 (S): H 7.067 7.067 8.344 -1.277 RESID 88 (K): N 118.300 118.300 122.222 -3.922 RESID 88 (K): C 179.000 179.000 178.827 0.173 RESID 88 (K): CA 59.970 59.970 59.504 0.466 RESID 88 (K): CB 32.380 32.380 32.473 -0.093 RESID 88 (K): H 8.615 8.615 7.658 0.957 RESID 89 (V): N 120.600 120.600 114.281 6.319 RESID 89 (V): C 178.100 178.100 177.312 0.788 RESID 89 (V): CA 65.530 65.530 65.442 0.088 RESID 89 (V): CB 32.180 32.180 31.669 0.511 RESID 89 (V): H 7.089 7.089 7.729 -0.640 RESID 90 (A): N 120.700 120.700 121.140 -0.440 RESID 90 (A): C 180.000 180.000 178.943 1.057 RESID 90 (A): CA 55.490 55.490 54.166 1.324 RESID 90 (A): CB 19.130 19.130 17.817 1.313 RESID 90 (A): H 7.979 7.979 7.334 0.645 RESID 91 (K): N 117.600 117.600 118.049 -0.449 RESID 91 (K): C 180.900 180.900 177.891 3.009 RESID 91 (K): CA 59.830 59.830 58.847 0.983 RESID 91 (K): CB 32.700 32.700 32.713 -0.013 RESID 91 (K): H 7.844 7.844 8.119 -0.275 RESID 92 (E): N 122.300 122.300 117.240 5.060 RESID 92 (E): C 178.600 178.600 177.103 1.497 RESID 92 (E): CA 59.590 59.590 57.323 2.267 RESID 92 (E): CB 29.740 29.740 30.401 -0.661 RESID 92 (E): H 8.178 8.178 7.707 0.471 RESID 93 (R): N 115.300 115.300 118.422 -3.122 RESID 93 (R): C 175.000 175.000 174.664 0.336 RESID 93 (R): CA 56.320 56.320 55.529 0.791 RESID 93 (R): CB 29.390 29.390 30.913 -1.523 RESID 93 (R): H 7.776 7.776 8.051 -0.275 RESID 94 (K): N 116.800 116.800 115.001 1.799 RESID 94 (K): C 176.400 176.400 175.724 0.676 RESID 94 (K): CA 56.950 56.950 57.593 -0.642 RESID 94 (K): CB 28.870 28.870 30.269 -1.399 RESID 94 (K): H 7.697 7.697 8.397 -0.700 RESID 95 (L): N 120.600 120.600 121.708 -1.108 RESID 95 (L): C 177.200 177.200 176.917 0.283 RESID 95 (L): CA 56.710 56.710 55.959 0.751 RESID 95 (L): CB 43.480 43.480 42.456 1.024 RESID 95 (L): H 7.708 7.708 7.631 0.077 RESID 96 (Q): N 124.900 124.900 124.503 0.397 RESID 96 (Q): C 175.000 175.000 175.974 -0.974 RESID 96 (Q): CA 55.570 55.570 54.948 0.622 RESID 96 (Q): CB 30.080 30.080 29.749 0.331 RESID 96 (Q): H 7.526 7.526 8.404 -0.878 RESID 97 (R): N 126.000 126.000 119.533 6.467 RESID 97 (R): C 176.800 176.800 176.227 0.573 RESID 97 (R): CA 55.610 55.610 56.669 -1.059 RESID 97 (R): CB 31.840 31.840 30.221 1.619 RESID 97 (R): H 9.039 9.039 8.541 0.498 RESID 98 (L): N 126.500 126.500 122.985 3.515 RESID 98 (L): C 175.400 175.400 175.804 -0.404 RESID 98 (L): CA 56.610 56.610 54.157 2.453 RESID 98 (L): CB 47.140 47.140 43.832 3.308 RESID 98 (L): H 8.247 8.247 8.693 -0.446 RESID 99 (Y): N 110.000 110.000 112.115 -2.115 RESID 99 (Y): C 173.200 173.200 174.587 -1.387 RESID 99 (Y): CA 55.320 55.320 56.138 -0.818 RESID 99 (Y): CB 38.350 38.350 39.362 -1.012 RESID 99 (Y): H 6.465 6.465 7.823 -1.358 RESID 100 (I): N 120.000 120.000 126.219 -6.219 RESID 100 (I): C 176.800 176.800 177.144 -0.344 RESID 100 (I): CA 61.290 61.290 63.090 -1.800 RESID 100 (I): CB 39.980 39.980 36.397 3.583 RESID 100 (I): H 8.725 8.725 8.613 0.112 RESID 101 (G): N 114.800 114.800 113.925 0.875 RESID 101 (G): C 173.400 173.400 174.103 -0.703 RESID 101 (G): CA 47.030 47.030 44.822 2.208 RESID 101 (G): H 8.224 8.224 8.482 -0.258 RESID 102 (E): N 129.600 129.600 118.701 10.899 RESID 102 (E): C 173.700 173.700 174.481 -0.781 RESID 102 (E): CA 54.480 54.480 53.999 0.480 RESID 102 (E): CB 29.790 29.790 27.762 2.028 RESID 102 (E): H 8.294 8.294 8.009 0.285 RESID 103 (P): C 175.400 175.400 176.240 -0.840 RESID 103 (P): CA 62.040 62.040 63.423 -1.383 RESID 103 (P): CB 32.570 32.570 32.673 -0.103 RESID 104 (S): N 111.900 111.900 117.134 -5.234 RESID 104 (S): C 174.800 174.800 174.633 0.167 RESID 104 (S): CA 55.340 55.340 58.515 -3.175 RESID 104 (S): CB 64.330 64.330 64.436 -0.106 RESID 104 (S): H 5.412 5.412 7.981 -2.569 RESID 105 (A): N 130.200 130.200 129.926 0.274 RESID 105 (A): C 179.400 179.400 179.044 0.356 RESID 105 (A): CA 55.070 55.070 54.326 0.744 RESID 105 (A): CB 18.210 18.210 19.104 -0.894 RESID 105 (A): H 9.211 9.211 8.887 0.324 RESID 106 (E): N 119.800 119.800 119.421 0.379 RESID 106 (E): C 179.300 179.300 178.855 0.445 RESID 106 (E): CA 60.270 60.270 59.024 1.246 RESID 106 (E): CB 28.990 28.990 29.463 -0.473 RESID 106 (E): H 8.731 8.731 8.596 0.135 RESID 107 (A): N 121.600 121.600 122.104 -0.504 RESID 107 (A): C 180.100 180.100 179.738 0.362 RESID 107 (A): CA 54.650 54.650 54.927 -0.277 RESID 107 (A): CB 19.220 19.220 18.437 0.783 RESID 107 (A): H 7.682 7.682 7.808 -0.126 RESID 108 (V): N 116.600 116.600 118.565 -1.965 RESID 108 (V): C 177.700 177.700 178.505 -0.805 RESID 108 (V): CA 66.920 66.920 65.955 0.965 RESID 108 (V): CB 31.430 31.430 31.732 -0.302 RESID 108 (V): H 7.015 7.015 7.519 -0.504 RESID 109 (A): N 121.400 121.400 122.836 -1.436 RESID 109 (A): C 181.100 181.100 179.258 1.842 RESID 109 (A): CA 55.540 55.540 54.922 0.618 RESID 109 (A): CB 17.900 17.900 18.052 -0.152 RESID 109 (A): H 8.262 8.262 8.117 0.145 RESID 110 (A): N 118.800 118.800 119.538 -0.738 RESID 110 (A): C 178.900 178.900 178.638 0.262 RESID 110 (A): CA 54.300 54.300 54.551 -0.251 RESID 110 (A): CB 18.460 18.460 18.496 -0.036 RESID 110 (A): H 7.607 7.607 7.920 -0.313 RESID 111 (Q): N 113.500 113.500 114.528 -1.028 RESID 111 (Q): C 174.900 174.900 175.934 -1.034 RESID 111 (Q): CA 55.160 55.160 54.225 0.935 RESID 111 (Q): CB 28.450 28.450 28.652 -0.202 RESID 111 (Q): H 7.148 7.148 7.443 -0.295 RESID 112 (M): N 114.700 114.700 120.952 -6.252 RESID 112 (M): C 173.300 173.300 173.244 0.056 RESID 112 (M): CA 55.900 55.900 55.518 0.382 RESID 112 (M): CB 30.300 30.300 31.745 -1.445 RESID 112 (M): H 7.882 7.882 7.940 -0.058 RESID 113 (P): C 176.700 176.700 176.253 0.447 RESID 113 (P): CA 62.820 62.820 62.586 0.234 RESID 113 (P): CB 33.340 33.340 33.024 0.316 RESID 114 (D): N 115.800 115.800 117.927 -2.127 RESID 114 (D): C 175.900 175.900 175.913 -0.013 RESID 114 (D): CA 53.150 53.150 55.168 -2.018 RESID 114 (D): CB 40.990 40.990 43.024 -2.034 RESID 114 (D): H 8.850 8.850 8.229 0.621 RESID 115 (L): C 174.900 174.900 174.307 0.593 RESID 115 (L): CA 52.800 52.800 54.128 -1.328 RESID 116 (I): N 123.500 123.500 126.202 -2.702 RESID 116 (I): CA 60.270 60.270 60.100 0.170 RESID 116 (I): H 9.340 9.340 8.011 1.329 RESID 118 (I): C 174.400 174.400 175.462 -1.062 RESID 118 (I): CA 60.250 60.250 59.769 0.481 RESID 118 (I): CB 42.610 42.610 41.401 1.209 RESID 119 (S): N 121.600 121.600 121.759 -0.159 RESID 119 (S): C 175.700 175.700 175.169 0.531 RESID 119 (S): CA 57.150 57.150 57.725 -0.575 RESID 119 (S): CB 65.280 65.280 64.601 0.679 RESID 119 (S): H 9.575 9.575 8.559 1.016 RESID 120 (A): N 126.000 126.000 124.458 1.542 RESID 120 (A): C 176.900 176.900 177.456 -0.556 RESID 120 (A): CA 54.300 54.300 54.336 -0.036 RESID 120 (A): CB 20.530 20.530 18.951 1.579 RESID 120 (A): H 8.143 8.143 8.723 -0.580 RESID 121 (T): N 106.400 106.400 110.506 -4.106 RESID 121 (T): C 173.000 173.000 173.117 -0.117 RESID 121 (T): CA 59.450 59.450 61.910 -2.461 RESID 121 (T): CB 72.310 72.310 70.709 1.601 RESID 121 (T): H 7.617 7.617 7.851 -0.234 RESID 122 (G): N 104.200 104.200 110.754 -6.554 RESID 122 (G): C 177.200 177.200 174.140 3.060 RESID 122 (G): CA 44.430 44.430 45.189 -0.759 RESID 122 (G): H 7.998 7.998 7.840 0.158 RESID 123 (G): C 174.100 174.100 174.318 -0.218 RESID 123 (G): CA 46.710 46.710 45.674 1.036 RESID 124 (D): N 116.900 116.900 119.154 -2.254 RESID 124 (D): C 176.900 176.900 175.746 1.154 RESID 124 (D): CA 52.320 52.320 52.934 -0.614 RESID 124 (D): CB 40.690 40.690 40.602 0.088 RESID 124 (D): H 8.617 8.617 7.726 0.891 RESID 125 (S): N 115.100 115.100 119.137 -4.037 RESID 125 (S): C 176.900 176.900 175.180 1.720 RESID 125 (S): CA 58.750 58.750 58.668 0.082 RESID 125 (S): CB 64.190 64.190 64.072 0.118 RESID 125 (S): H 7.322 7.322 8.438 -1.116 RESID 126 (A): N 134.900 134.900 130.069 4.831 RESID 126 (A): C 176.700 176.700 178.656 -1.956 RESID 126 (A): CA 51.150 51.150 53.497 -2.347 RESID 126 (A): CB 16.850 16.850 19.096 -2.246 RESID 126 (A): H 8.837 8.837 8.606 0.231 RESID 127 (L): N 121.000 121.000 120.981 0.019 RESID 127 (L): C 178.900 178.900 178.326 0.574 RESID 127 (L): CA 58.730 58.730 57.286 1.444 RESID 127 (L): CB 42.840 42.840 41.617 1.223 RESID 127 (L): H 7.353 7.353 8.138 -0.785 RESID 128 (A): N 121.600 121.600 118.117 3.483 RESID 128 (A): C 178.900 178.900 178.131 0.769 RESID 128 (A): CA 55.010 55.010 54.157 0.853 RESID 128 (A): CB 18.200 18.200 18.694 -0.494 RESID 128 (A): H 8.918 8.918 7.615 1.303 RESID 129 (L): N 116.800 116.800 116.275 0.525 RESID 129 (L): C 177.000 177.000 177.895 -0.895 RESID 129 (L): CA 53.930 53.930 55.242 -1.312 RESID 129 (L): CB 42.710 42.710 43.095 -0.385 RESID 129 (L): H 7.776 7.776 7.422 0.354 RESID 130 (Y): N 122.000 122.000 122.787 -0.787 RESID 130 (Y): C 177.100 177.100 176.722 0.378 RESID 130 (Y): CA 64.420 64.420 62.970 1.450 RESID 130 (Y): CB 39.470 39.470 38.414 1.056 RESID 130 (Y): H 7.891 7.891 8.991 -1.100 RESID 131 (D): N 119.000 119.000 117.816 1.184 RESID 131 (D): C 178.300 178.300 178.392 -0.092 RESID 131 (D): CA 58.040 58.040 57.425 0.615 RESID 131 (D): CB 39.660 39.660 39.378 0.282 RESID 131 (D): H 9.014 9.014 8.101 0.913 RESID 132 (Q): N 118.900 118.900 119.879 -0.979 RESID 132 (Q): C 179.100 179.100 178.901 0.199 RESID 132 (Q): CA 58.930 58.930 58.571 0.359 RESID 132 (Q): CB 29.320 29.320 28.767 0.553 RESID 132 (Q): H 7.814 7.814 7.970 -0.156 RESID 133 (L): N 119.700 119.700 120.188 -0.488 RESID 133 (L): C 177.900 177.900 178.606 -0.706 RESID 133 (L): CA 57.910 57.910 57.694 0.216 RESID 133 (L): CB 40.980 40.980 41.787 -0.807 RESID 133 (L): H 8.450 8.450 8.818 -0.368 RESID 134 (S): N 111.800 111.800 114.856 -3.056 RESID 134 (S): C 175.500 175.500 175.853 -0.353 RESID 134 (S): CA 61.160 61.160 60.953 0.207 RESID 134 (S): CB 63.450 63.450 62.703 0.747 RESID 134 (S): H 8.128 8.128 8.455 -0.327 RESID 135 (T): N 111.100 111.100 115.998 -4.898 RESID 135 (T): C 175.300 175.300 176.608 -1.308 RESID 135 (T): CA 63.230 63.230 65.305 -2.075 RESID 135 (T): CB 69.670 69.670 69.010 0.660 RESID 135 (T): H 6.953 6.953 7.548 -0.595 RESID 136 (I): N 124.400 124.400 120.491 3.909 RESID 136 (I): C 175.800 175.800 175.595 0.205 RESID 136 (I): CA 63.940 63.940 64.046 -0.106 RESID 136 (I): CB 38.870 38.870 38.581 0.289 RESID 136 (I): H 7.694 7.694 7.357 0.337 RESID 137 (A): N 120.500 120.500 118.649 1.851 RESID 137 (A): C 172.300 172.300 173.980 -1.680 RESID 137 (A): CA 50.470 50.470 50.580 -0.110 RESID 137 (A): CB 19.320 19.320 19.479 -0.159 RESID 137 (A): H 7.540 7.540 7.980 -0.440 RESID 138 (P): C 174.700 174.700 176.197 -1.497 RESID 138 (P): CA 64.700 64.700 63.622 1.078 RESID 138 (P): CB 31.610 31.610 31.547 0.063 RESID 139 (T): N 122.000 122.000 119.818 2.182 RESID 139 (T): C 173.900 173.900 173.938 -0.038 RESID 139 (T): CA 61.630 61.630 63.167 -1.537 RESID 139 (T): CB 71.540 71.540 69.708 1.832 RESID 139 (T): H 7.990 7.990 8.169 -0.179 RESID 140 (L): C 174.900 174.900 174.317 0.583 RESID 140 (L): CA 52.740 52.740 53.478 -0.738 RESID 140 (L): CB 46.680 46.680 46.106 0.574 RESID 141 (I): N 123.500 123.500 125.623 -2.123 RESID 141 (I): C 175.700 175.700 174.773 0.927 RESID 141 (I): CA 60.250 60.250 61.102 -0.852 RESID 141 (I): CB 39.590 39.590 38.704 0.886 RESID 141 (I): H 9.345 9.345 7.948 1.397 RESID 142 (I): N 129.000 129.000 126.749 2.251 RESID 142 (I): C 174.400 174.400 173.969 0.431 RESID 142 (I): CA 57.930 57.930 59.878 -1.948 RESID 142 (I): CB 39.690 39.690 42.202 -2.512 RESID 142 (I): H 9.030 9.030 9.011 0.019 RESID 143 (N): N 129.100 129.100 124.241 4.859 RESID 143 (N): C 174.700 174.700 174.214 0.486 RESID 143 (N): CA 51.390 51.390 53.364 -1.974 RESID 143 (N): CB 39.720 39.720 39.611 0.109 RESID 143 (N): H 9.388 9.388 8.672 0.716 RESID 144 (Y): N 119.900 119.900 125.745 -5.845 RESID 144 (Y): C 176.500 176.500 174.765 1.735 RESID 144 (Y): CA 55.820 55.820 59.504 -3.684 RESID 144 (Y): CB 39.120 39.120 39.303 -0.183 RESID 144 (Y): H 8.491 8.491 8.475 0.016 RESID 145 (D): N 125.200 125.200 124.322 0.878 RESID 145 (D): C 176.800 176.800 175.041 1.759 RESID 145 (D): CA 55.220 55.220 55.416 -0.196 RESID 145 (D): CB 43.120 43.120 39.767 3.353 RESID 145 (D): H 8.800 8.800 8.352 0.448 RESID 146 (D): N 119.100 119.100 115.149 3.951 RESID 146 (D): C 175.200 175.200 175.299 -0.099 RESID 146 (D): CA 53.230 53.230 53.586 -0.356 RESID 146 (D): CB 40.760 40.760 42.388 -1.628 RESID 146 (D): H 7.571 7.571 8.611 -1.040 RESID 147 (K): N 114.100 114.100 119.788 -5.688 RESID 147 (K): C 175.000 175.000 175.266 -0.266 RESID 147 (K): CA 54.070 54.070 55.611 -1.541 RESID 147 (K): CB 33.340 33.340 35.174 -1.834 RESID 147 (K): H 7.018 7.018 7.559 -0.541 RESID 148 (S): N 118.300 118.300 118.736 -0.436 RESID 148 (S): C 175.700 175.700 176.104 -0.404 RESID 148 (S): CA 57.120 57.120 57.203 -0.083 RESID 148 (S): CB 64.970 64.970 64.236 0.734 RESID 148 (S): H 8.709 8.709 8.502 0.207 RESID 149 (W): N 121.700 121.700 120.009 1.691 RESID 149 (W): C 179.300 179.300 177.217 2.083 RESID 149 (W): CA 59.890 59.890 58.589 1.302 RESID 149 (W): CB 27.660 27.660 28.369 -0.709 RESID 149 (W): H 8.779 8.779 8.920 -0.141 RESID 150 (Q): N 124.600 124.600 121.321 3.279 RESID 150 (Q): C 178.100 178.100 177.840 0.260 RESID 150 (Q): CA 61.660 61.660 58.283 3.377 RESID 150 (Q): CB 26.550 26.550 27.734 -1.184 RESID 150 (Q): H 8.369 8.369 6.753 1.616 RESID 151 (S): N 117.500 117.500 116.379 1.121 RESID 151 (S): C 177.500 177.500 176.912 0.588 RESID 151 (S): CA 61.760 61.760 61.171 0.589 RESID 151 (S): CB 63.360 63.360 62.642 0.718 RESID 151 (S): H 7.769 7.769 7.682 0.087 RESID 152 (L): N 125.200 125.200 122.649 2.551 RESID 152 (L): C 178.700 178.700 178.157 0.543 RESID 152 (L): CA 58.320 58.320 57.931 0.389 RESID 152 (L): CB 41.980 41.980 41.695 0.285 RESID 152 (L): H 8.460 8.460 8.401 0.059 RESID 153 (L): N 119.200 119.200 118.615 0.585 RESID 153 (L): C 179.700 179.700 178.658 1.042 RESID 153 (L): CA 58.960 58.960 57.525 1.435 RESID 153 (L): CB 41.270 41.270 41.371 -0.101 RESID 153 (L): H 8.562 8.562 7.614 0.948 RESID 154 (T): N 116.300 116.300 112.780 3.520 RESID 154 (T): C 177.200 177.200 176.891 0.309 RESID 154 (T): CA 67.290 67.290 65.965 1.325 RESID 154 (T): CB 68.640 68.640 68.101 0.539 RESID 154 (T): H 8.004 8.004 7.872 0.132 RESID 155 (Q): N 124.500 124.500 120.986 3.514 RESID 155 (Q): C 179.200 179.200 177.992 1.208 RESID 155 (Q): CA 59.710 59.710 58.331 1.379 RESID 155 (Q): CB 28.620 28.620 28.344 0.276 RESID 155 (Q): H 8.230 8.230 7.907 0.323 RESID 156 (L): C 180.900 180.900 179.259 1.641 RESID 156 (L): CA 57.540 57.540 56.913 0.626 RESID 156 (L): CB 41.710 41.710 41.839 -0.129 RESID 157 (G): N 112.800 112.800 107.011 5.789 RESID 157 (G): C 174.500 174.500 175.078 -0.578 RESID 157 (G): CA 48.300 48.300 46.507 1.793 RESID 157 (G): H 9.216 9.216 7.983 1.233 RESID 158 (E): N 123.500 123.500 118.658 4.842 RESID 158 (E): C 177.800 177.800 177.138 0.662 RESID 158 (E): CA 59.120 59.120 57.841 1.279 RESID 158 (E): CB 29.700 29.700 29.381 0.319 RESID 158 (E): H 7.480 7.480 7.461 0.019 RESID 160 (T): C 178.300 178.300 175.992 2.308 RESID 160 (T): CA 61.930 61.930 63.136 -1.206 RESID 160 (T): CB 71.830 71.830 69.176 2.654 RESID 161 (G): N 113.600 113.600 113.852 -0.252 RESID 161 (G): C 174.600 174.600 174.135 0.465 RESID 161 (G): CA 48.130 48.130 46.886 1.244 RESID 161 (G): H 8.114 8.114 8.989 -0.875 RESID 162 (H): N 121.000 121.000 115.991 5.009 RESID 162 (H): C 174.000 174.000 176.153 -2.153 RESID 162 (H): CA 55.370 55.370 55.854 -0.484 RESID 162 (H): CB 28.280 28.280 31.292 -3.012 RESID 162 (H): H 8.506 8.506 7.835 0.671 RESID 163 (E): N 123.900 123.900 122.131 1.769 RESID 163 (E): C 180.800 180.800 178.457 2.343 RESID 163 (E): CA 61.160 61.160 59.708 1.452 RESID 163 (E): CB 28.720 28.720 29.174 -0.454 RESID 163 (E): H 10.300 10.300 8.753 1.547 RESID 164 (K): N 120.600 120.600 120.392 0.208 RESID 164 (K): C 178.700 178.700 178.789 -0.089 RESID 164 (K): CA 59.590 59.590 60.057 -0.467 RESID 164 (K): CB 32.280 32.280 31.971 0.309 RESID 164 (K): H 8.789 8.789 8.394 0.395 RESID 165 (Q): N 119.500 119.500 117.283 2.217 RESID 165 (Q): C 178.800 178.800 178.131 0.669 RESID 165 (Q): CA 60.870 60.870 58.838 2.032 RESID 165 (Q): CB 28.120 28.120 28.385 -0.265 RESID 165 (Q): H 8.058 8.058 8.546 -0.488 RESID 166 (A): N 121.100 121.100 122.446 -1.346 RESID 166 (A): C 178.000 178.000 179.427 -1.427 RESID 166 (A): CA 56.280 56.280 54.958 1.322 RESID 166 (A): CB 18.300 18.300 18.071 0.229 RESID 166 (A): H 7.873 7.873 7.982 -0.109 RESID 167 (A): N 117.900 117.900 120.938 -3.038 RESID 167 (A): C 181.500 181.500 179.604 1.896 RESID 167 (A): CA 55.100 55.100 55.268 -0.168 RESID 167 (A): CB 17.860 17.860 18.164 -0.304 RESID 167 (A): H 7.642 7.642 8.767 -1.125 RESID 168 (E): N 120.100 120.100 118.550 1.550 RESID 168 (E): C 179.600 179.600 179.132 0.468 RESID 168 (E): CA 59.610 59.610 59.617 -0.007 RESID 168 (E): CB 29.790 29.790 29.338 0.452 RESID 168 (E): H 8.230 8.230 7.905 0.325 RESID 170 (I): C 177.700 177.700 177.705 -0.005 RESID 170 (I): CA 66.880 66.880 65.305 1.575 RESID 170 (I): CB 39.310 39.310 37.953 1.357 RESID 171 (A): N 120.700 120.700 123.190 -2.490 RESID 171 (A): C 181.200 181.200 179.840 1.360 RESID 171 (A): CA 55.290 55.290 55.639 -0.349 RESID 171 (A): CB 18.260 18.260 18.115 0.145 RESID 171 (A): H 8.000 8.000 8.775 -0.775 RESID 172 (Q): N 120.600 120.600 118.029 2.571 RESID 172 (Q): C 179.200 179.200 178.583 0.617 RESID 172 (Q): CA 59.210 59.210 58.501 0.709 RESID 172 (Q): CB 28.340 28.340 28.600 -0.260 RESID 172 (Q): H 8.585 8.585 7.943 0.642 RESID 173 (F): N 122.500 122.500 122.606 -0.106 RESID 173 (F): C 176.400 176.400 177.398 -0.998 RESID 173 (F): CA 62.710 62.710 61.103 1.607 RESID 173 (F): CB 39.490 39.490 39.130 0.360 RESID 173 (F): H 8.457 8.457 8.787 -0.330 RESID 174 (D): N 121.000 121.000 120.108 0.892 RESID 174 (D): C 180.300 180.300 178.882 1.418 RESID 174 (D): CA 58.040 58.040 57.500 0.540 RESID 174 (D): CB 40.160 40.160 40.247 -0.087 RESID 174 (D): H 8.771 8.771 9.042 -0.271 RESID 175 (K): N 121.300 121.300 120.218 1.082 RESID 175 (K): C 179.800 179.800 178.636 1.164 RESID 175 (K): CA 59.630 59.630 59.641 -0.011 RESID 175 (K): CB 32.710 32.710 32.395 0.315 RESID 175 (K): H 8.125 8.125 8.102 0.023 RESID 176 (Q): N 121.600 121.600 119.520 2.080 RESID 176 (Q): C 179.100 179.100 178.333 0.767 RESID 176 (Q): CA 58.460 58.460 58.940 -0.480 RESID 176 (Q): CB 27.990 27.990 28.525 -0.535 RESID 176 (Q): H 8.164 8.164 7.817 0.347 RESID 177 (L): N 125.600 125.600 119.596 6.004 RESID 177 (L): C 178.400 178.400 178.672 -0.272 RESID 177 (L): CA 59.890 59.890 57.233 2.658 RESID 177 (L): CB 41.200 41.200 41.362 -0.162 RESID 177 (L): H 8.944 8.944 7.744 1.200 RESID 178 (A): N 121.500 121.500 122.567 -1.067 RESID 178 (A): C 180.600 180.600 179.229 1.371 RESID 178 (A): CA 55.390 55.390 55.197 0.193 RESID 178 (A): CB 17.970 17.970 17.880 0.090 RESID 178 (A): H 7.690 7.690 8.246 -0.556 RESID 179 (A): N 120.200 120.200 120.991 -0.791 RESID 179 (A): C 180.600 180.600 179.866 0.734 RESID 179 (A): CA 54.860 54.860 54.515 0.345 RESID 179 (A): CB 18.190 18.190 18.600 -0.410 RESID 179 (A): H 7.706 7.706 7.657 0.049 RESID 180 (A): N 121.800 121.800 121.766 0.034 RESID 180 (A): C 179.200 179.200 179.105 0.095 RESID 180 (A): CA 55.490 55.490 54.731 0.759 RESID 180 (A): CB 17.920 17.920 18.214 -0.294 RESID 180 (A): H 8.171 8.171 7.992 0.179 RESID 181 (K): N 118.100 118.100 117.939 0.161 RESID 181 (K): C 178.000 178.000 178.067 -0.067 RESID 181 (K): CA 59.830 59.830 59.217 0.614 RESID 181 (K): CB 33.340 33.340 32.645 0.695 RESID 181 (K): H 8.342 8.342 8.309 0.033 RESID 182 (E): N 114.400 114.400 116.480 -2.080 RESID 182 (E): C 177.300 177.300 177.429 -0.129 RESID 182 (E): CA 57.870 57.870 57.113 0.757 RESID 182 (E): CB 30.320 30.320 29.228 1.092 RESID 182 (E): H 7.153 7.153 7.686 -0.533 RESID 183 (Q): N 116.700 116.700 117.395 -0.695 RESID 183 (Q): C 177.200 177.200 176.173 1.027 RESID 183 (Q): CA 57.060 57.060 56.825 0.235 RESID 183 (Q): CB 31.550 31.550 31.126 0.424 RESID 183 (Q): H 7.458 7.458 7.636 -0.178 RESID 184 (I): N 117.800 117.800 115.865 1.935 RESID 184 (I): C 175.200 175.200 174.245 0.955 RESID 184 (I): CA 63.000 63.000 59.747 3.253 RESID 184 (I): CB 40.300 40.300 39.955 0.345 RESID 184 (I): H 7.723 7.723 7.427 0.296 RESID 185 (K): N 127.700 127.700 122.940 4.760 RESID 185 (K): C 175.600 175.600 175.629 -0.029 RESID 185 (K): CA 54.550 54.550 55.120 -0.570 RESID 185 (K): CB 31.600 31.600 34.514 -2.914 RESID 185 (K): H 8.743 8.743 7.914 0.829 RESID 186 (L): N 124.700 124.700 125.753 -1.053 RESID 186 (L): C 175.700 175.700 175.909 -0.209 RESID 186 (L): CA 54.240 54.240 51.887 2.353 RESID 186 (L): CB 41.050 41.050 40.668 0.382 RESID 186 (L): H 8.051 8.051 8.483 -0.432 RESID 188 (P): C 174.800 174.800 176.253 -1.453 RESID 188 (P): CA 65.060 65.060 63.592 1.468 RESID 188 (P): CB 32.670 32.670 31.668 1.002 RESID 189 (Q): N 121.300 121.300 120.983 0.317 RESID 189 (Q): C 174.800 174.800 172.937 1.863 RESID 189 (Q): CA 52.330 52.330 54.714 -2.384 RESID 189 (Q): CB 31.350 31.350 30.428 0.922 RESID 189 (Q): H 8.061 8.061 8.221 -0.160 RESID 190 (P): C 175.500 175.500 175.580 -0.080 RESID 190 (P): CA 62.820 62.820 62.469 0.351 RESID 190 (P): CB 35.450 35.450 32.815 2.635 RESID 191 (V): N 112.600 112.600 121.599 -8.999 RESID 191 (V): C 174.300 174.300 173.964 0.336 RESID 191 (V): CA 59.740 59.740 59.521 0.219 RESID 191 (V): CB 35.030 35.030 34.693 0.337 RESID 191 (V): H 9.214 9.214 8.507 0.707 RESID 192 (T): N 120.700 120.700 113.337 7.363 RESID 192 (T): C 172.300 172.300 172.094 0.206 RESID 192 (T): CA 63.030 63.030 59.531 3.499 RESID 192 (T): CB 71.550 71.550 71.253 0.297 RESID 192 (T): H 8.462 8.462 8.325 0.137 RESID 193 (A): N 132.900 132.900 123.016 9.884 RESID 193 (A): C 175.400 175.400 175.408 -0.008 RESID 193 (A): CA 50.570 50.570 51.123 -0.553 RESID 193 (A): CB 21.140 21.140 21.449 -0.309 RESID 193 (A): H 10.170 10.170 8.561 1.609 RESID 194 (I): N 115.400 115.400 117.472 -2.072 RESID 194 (I): C 176.600 176.600 173.703 2.897 RESID 194 (I): CA 59.540 59.540 60.002 -0.462 RESID 194 (I): CB 43.930 43.930 42.118 1.812 RESID 194 (I): H 9.269 9.269 8.534 0.735 RESID 195 (V): N 118.500 118.500 122.785 -4.285 RESID 195 (V): C 176.200 176.200 174.071 2.129 RESID 195 (V): CA 63.190 63.190 61.393 1.797 RESID 195 (V): CB 34.870 34.870 34.722 0.148 RESID 195 (V): H 8.484 8.484 8.643 -0.159 RESID 196 (Y): N 132.200 132.200 129.487 2.713 RESID 196 (Y): C 174.700 174.700 174.151 0.549 RESID 196 (Y): CA 57.000 57.000 57.415 -0.415 RESID 196 (Y): CB 41.250 41.250 40.177 1.073 RESID 196 (Y): H 9.989 9.989 8.986 1.003 RESID 197 (T): N 124.900 124.900 123.410 1.490 RESID 197 (T): C 174.300 174.300 173.372 0.928 RESID 197 (T): CA 60.740 60.740 60.628 0.112 RESID 197 (T): CB 68.560 68.560 71.597 -3.037 RESID 197 (T): H 8.262 8.262 7.831 0.431 RESID 198 (A): N 130.500 130.500 130.791 -0.291 RESID 198 (A): C 180.400 180.400 179.212 1.188 RESID 198 (A): CA 55.510 55.510 54.345 1.165 RESID 198 (A): CB 18.480 18.480 18.398 0.082 RESID 198 (A): H 8.524 8.524 8.851 -0.327 RESID 199 (A): N 118.700 118.700 123.512 -4.812 RESID 199 (A): C 177.700 177.700 178.714 -1.014 RESID 199 (A): CA 54.350 54.350 54.854 -0.504 RESID 199 (A): CB 18.350 18.350 17.941 0.409 RESID 199 (A): H 8.578 8.578 8.280 0.298 RESID 200 (A): N 116.700 116.700 120.541 -3.841 RESID 200 (A): C 176.600 176.600 177.248 -0.648 RESID 200 (A): CA 51.290 51.290 52.072 -0.782 RESID 200 (A): CB 20.180 20.180 18.855 1.325 RESID 200 (A): H 6.638 6.638 8.097 -1.459 RESID 201 (H): N 116.900 116.900 116.531 0.369 RESID 201 (H): C 172.900 172.900 173.400 -0.500 RESID 201 (H): CA 56.710 56.710 56.338 0.372 RESID 201 (H): CB 27.820 27.820 28.248 -0.429 RESID 201 (H): H 7.569 7.569 7.780 -0.211 RESID 202 (S): N 110.500 110.500 114.457 -3.957 RESID 202 (S): C 171.500 171.500 171.459 0.041 RESID 202 (S): CA 56.530 56.530 57.607 -1.077 RESID 202 (S): CB 66.170 66.170 66.308 -0.138 RESID 202 (S): H 7.109 7.109 7.798 -0.689 RESID 203 (A): N 120.900 120.900 123.837 -2.937 RESID 203 (A): C 174.900 174.900 175.286 -0.386 RESID 203 (A): CA 50.890 50.890 51.424 -0.534 RESID 203 (A): CB 24.510 24.510 22.209 2.301 RESID 203 (A): H 8.618 8.618 8.306 0.312 RESID 204 (N): N 118.900 118.900 118.855 0.045 RESID 204 (N): C 173.300 173.300 173.459 -0.159 RESID 204 (N): CA 51.520 51.520 52.069 -0.549 RESID 204 (N): CB 40.080 40.080 42.159 -2.079 RESID 204 (N): H 8.333 8.333 8.229 0.104 RESID 205 (L): N 127.200 127.200 121.742 5.458 RESID 205 (L): C 175.700 175.700 175.573 0.127 RESID 205 (L): CA 54.920 54.920 54.069 0.851 RESID 205 (L): CB 44.180 44.180 42.627 1.553 RESID 205 (L): H 9.265 9.265 7.613 1.652 RESID 206 (W): N 125.300 125.300 123.659 1.641 RESID 206 (W): C 177.100 177.100 176.450 0.650 RESID 206 (W): CA 56.630 56.630 57.371 -0.741 RESID 206 (W): CB 29.690 29.690 30.825 -1.135 RESID 206 (W): H 8.560 8.560 7.912 0.648 RESID 207 (T): N 112.000 112.000 110.209 1.791 RESID 207 (T): C 176.100 176.100 173.285 2.815 RESID 207 (T): CA 60.120 60.120 59.243 0.877 RESID 207 (T): CB 68.540 68.540 70.390 -1.850 RESID 207 (T): H 8.029 8.029 8.138 -0.109 RESID 208 (P): C 176.000 176.000 176.850 -0.850 RESID 208 (P): CA 66.120 66.120 65.401 0.719 RESID 208 (P): CB 31.950 31.950 32.162 -0.212 RESID 209 (E): N 112.300 112.300 115.019 -2.719 RESID 209 (E): C 177.100 177.100 176.803 0.297 RESID 209 (E): CA 57.280 57.280 57.201 0.079 RESID 209 (E): CB 29.760 29.760 30.149 -0.390 RESID 209 (E): H 7.612 7.612 7.968 -0.356 RESID 210 (S): N 115.800 115.800 115.073 0.727 RESID 210 (S): C 173.900 173.900 175.523 -1.623 RESID 210 (S): CA 58.060 58.060 59.189 -1.129 RESID 210 (S): CB 67.320 67.320 64.471 2.849 RESID 210 (S): H 7.654 7.654 7.432 0.222 RESID 211 (A): N 125.200 125.200 127.390 -2.190 RESID 211 (A): C 180.600 180.600 179.845 0.755 RESID 211 (A): CA 55.410 55.410 55.322 0.088 RESID 211 (A): CB 18.530 18.530 18.762 -0.232 RESID 211 (A): H 8.874 8.874 9.021 -0.147 RESID 212 (Q): N 119.200 119.200 118.633 0.567 RESID 212 (Q): C 177.100 177.100 178.015 -0.915 RESID 212 (Q): CA 61.410 61.410 58.971 2.439 RESID 212 (Q): CB 27.090 27.090 27.418 -0.328 RESID 212 (Q): H 8.493 8.493 8.478 0.015 RESID 213 (G): N 107.500 107.500 107.656 -0.156 RESID 213 (G): C 175.400 175.400 176.317 -0.917 RESID 213 (G): CA 47.520 47.520 46.825 0.695 RESID 213 (G): H 8.053 8.053 8.304 -0.251 RESID 214 (Q): N 120.700 120.700 121.496 -0.796 RESID 214 (Q): C 179.000 179.000 178.393 0.607 RESID 214 (Q): CA 59.150 59.150 58.866 0.284 RESID 214 (Q): CB 29.110 29.110 28.692 0.419 RESID 214 (Q): H 8.501 8.501 8.095 0.406 RESID 215 (M): N 119.200 119.200 120.615 -1.415 RESID 215 (M): C 177.800 177.800 178.170 -0.370 RESID 215 (M): CA 59.760 59.760 59.644 0.116 RESID 215 (M): CB 32.050 32.050 32.841 -0.791 RESID 215 (M): H 7.878 7.878 8.198 -0.320 RESID 216 (L): N 115.800 115.800 118.802 -3.002 RESID 216 (L): C 179.900 179.900 179.030 0.870 RESID 216 (L): CA 58.160 58.160 57.652 0.508 RESID 216 (L): CB 40.010 40.010 41.456 -1.446 RESID 216 (L): H 7.517 7.517 7.979 -0.462 RESID 217 (E): N 121.000 121.000 119.656 1.344 RESID 217 (E): C 182.200 182.200 179.248 2.952 RESID 217 (E): CA 60.210 60.210 58.929 1.281 RESID 217 (E): CB 29.150 29.150 29.419 -0.269 RESID 217 (E): H 8.377 8.377 8.175 0.202 RESID 218 (Q): N 122.300 122.300 117.087 5.213 RESID 218 (Q): C 178.100 178.100 178.862 -0.762 RESID 218 (Q): CA 59.220 59.220 58.241 0.979 RESID 218 (Q): CB 28.850 28.850 29.121 -0.271 RESID 218 (Q): H 8.464 8.464 7.925 0.539 RESID 219 (L): N 118.400 118.400 117.689 0.711 RESID 219 (L): C 175.200 175.200 177.467 -2.267 RESID 219 (L): CA 55.880 55.880 57.235 -1.355 RESID 219 (L): CB 44.330 44.330 42.868 1.462 RESID 219 (L): H 7.433 7.433 7.771 -0.338 RESID 220 (G): N 104.600 104.600 102.659 1.941 RESID 220 (G): C 174.700 174.700 172.923 1.777 RESID 220 (G): CA 44.750 44.750 44.690 0.060 RESID 220 (G): H 7.777 7.777 8.162 -0.385 RESID 221 (F): N 119.100 119.100 118.948 0.152 RESID 221 (F): C 175.200 175.200 174.349 0.851 RESID 221 (F): CA 57.900 57.900 55.959 1.941 RESID 221 (F): CB 38.930 38.930 42.779 -3.849 RESID 221 (F): H 8.001 8.001 7.776 0.225 RESID 222 (T): N 117.600 117.600 115.959 1.641 RESID 222 (T): C 173.900 173.900 173.369 0.531 RESID 222 (T): CA 61.790 61.790 61.224 0.566 RESID 222 (T): CB 71.360 71.360 69.795 1.565 RESID 222 (T): H 8.961 8.961 8.564 0.397 RESID 223 (L): N 128.300 128.300 127.098 1.202 RESID 223 (L): C 178.300 178.300 176.633 1.667 RESID 223 (L): CA 54.760 54.760 53.401 1.359 RESID 223 (L): CB 41.600 41.600 42.745 -1.145 RESID 223 (L): H 9.269 9.269 8.208 1.061 RESID 224 (A): N 126.800 126.800 128.133 -1.333 RESID 224 (A): C 177.400 177.400 175.865 1.535 RESID 224 (A): CA 52.460 52.460 50.998 1.462 RESID 224 (A): CB 18.650 18.650 20.825 -2.175 RESID 224 (A): H 9.077 9.077 8.105 0.972 RESID 225 (K): N 123.400 123.400 121.135 2.265 RESID 225 (K): C 176.800 176.800 176.188 0.612 RESID 225 (K): CA 55.600 55.600 55.577 0.023 RESID 225 (K): CB 33.080 33.080 32.909 0.171 RESID 225 (K): H 8.601 8.601 8.362 0.239 RESID 226 (L): N 126.200 126.200 128.006 -1.806 RESID 226 (L): C 175.500 175.500 175.607 -0.107 RESID 226 (L): CA 53.420 53.420 53.938 -0.518 RESID 226 (L): CB 41.720 41.720 41.246 0.474 RESID 226 (L): H 8.634 8.634 8.521 0.113 RESID 227 (P): C 176.800 176.800 177.069 -0.269 RESID 227 (P): CA 62.860 62.860 62.900 -0.040 RESID 227 (P): CB 32.360 32.360 32.183 0.177 RESID 228 (A): N 124.900 124.900 124.861 0.039 RESID 228 (A): C 179.500 179.500 178.479 1.021 RESID 228 (A): CA 54.120 54.120 53.406 0.714 RESID 228 (A): CB 18.710 18.710 18.704 0.006 RESID 228 (A): H 8.412 8.412 8.511 -0.099 RESID 229 (G): N 107.700 107.700 107.492 0.208 RESID 229 (G): C 175.000 175.000 175.996 -0.996 RESID 229 (G): CA 46.040 46.040 45.431 0.609 RESID 229 (G): H 8.565 8.565 8.095 0.470 RESID 230 (L): N 121.100 121.100 122.336 -1.236 RESID 230 (L): C 176.900 176.900 178.354 -1.454 RESID 230 (L): CA 55.620 55.620 55.535 0.085 RESID 230 (L): CB 42.630 42.630 41.687 0.943 RESID 230 (L): H 7.454 7.454 7.879 -0.425 RESID 231 (N): N 119.400 119.400 119.838 -0.438 RESID 231 (N): C 175.300 175.300 175.915 -0.615 RESID 231 (N): CA 53.650 53.650 56.139 -2.489 RESID 231 (N): CB 38.940 38.940 37.995 0.945 RESID 231 (N): H 8.211 8.211 8.026 0.185 RESID 232 (A): N 124.500 124.500 119.563 4.937 RESID 232 (A): C 178.100 178.100 178.058 0.042 RESID 232 (A): CA 53.110 53.110 51.708 1.402 RESID 232 (A): CB 19.340 19.340 18.037 1.303 RESID 232 (A): H 8.103 8.103 7.937 0.166 RESID 233 (S): N 115.200 115.200 115.240 -0.040 RESID 233 (S): C 175.100 175.100 175.578 -0.478 RESID 233 (S): CA 59.280 59.280 61.013 -1.733 RESID 233 (S): CB 64.280 64.280 63.336 0.945 RESID 233 (S): H 8.169 8.169 8.431 -0.262 RESID 234 (Q): N 122.100 122.100 120.596 1.504 RESID 234 (Q): C 176.400 176.400 175.684 0.716 RESID 234 (Q): CA 56.240 56.240 56.065 0.175 RESID 234 (Q): CB 29.490 29.490 30.811 -1.321 RESID 234 (Q): H 8.230 8.230 7.780 0.450 RESID 235 (S): N 117.100 117.100 118.113 -1.013 RESID 235 (S): C 174.900 174.900 174.655 0.245 RESID 235 (S): CA 58.910 58.910 58.893 0.017 RESID 235 (S): CB 64.510 64.510 62.886 1.625 RESID 235 (S): H 8.229 8.229 8.440 -0.211 RESID 236 (Q): N 122.300 122.300 127.135 -4.835 RESID 236 (Q): C 176.700 176.700 175.443 1.257 RESID 236 (Q): CA 56.610 56.610 55.496 1.114 RESID 236 (Q): CB 29.280 29.280 27.634 1.646 RESID 236 (Q): H 8.372 8.372 8.853 -0.481 RESID 237 (G): N 110.400 110.400 109.032 1.368 RESID 237 (G): C 174.100 174.100 172.962 1.138 RESID 237 (G): CA 45.720 45.720 45.468 0.252 RESID 237 (G): H 8.381 8.381 7.580 0.801 RESID 238 (K): N 120.500 120.500 121.469 -0.969 RESID 238 (K): C 176.600 176.600 175.491 1.109 RESID 238 (K): CA 56.490 56.490 56.020 0.470 RESID 238 (K): CB 33.320 33.320 32.760 0.560 RESID 238 (K): H 7.968 7.968 8.359 -0.391 RESID 239 (R): N 120.900 120.900 125.004 -4.104 RESID 239 (R): CA 56.130 56.130 55.945 0.185 RESID 239 (R): CB 31.560 31.560 30.905 0.655 RESID 239 (R): H 8.159 8.159 8.505 -0.346 RESID 240 (H): C 174.800 174.800 176.513 -1.713 RESID 240 (H): CA 55.740 55.740 58.624 -2.884 RESID 240 (H): CB 29.760 29.760 30.070 -0.310 RESID 241 (D): N 119.800 119.800 119.227 0.573 RESID 241 (D): C 174.700 174.700 176.271 -1.571 RESID 241 (D): CA 55.500 55.500 55.979 -0.479 RESID 241 (D): CB 40.550 40.550 41.217 -0.667 RESID 241 (D): H 9.052 9.052 8.387 0.665 RESID 242 (I): N 115.200 115.200 114.992 0.208 RESID 242 (I): C 175.600 175.600 174.386 1.214 RESID 242 (I): CA 59.090 59.090 59.406 -0.316 RESID 242 (I): CB 43.670 43.670 40.924 2.746 RESID 242 (I): H 7.087 7.087 7.411 -0.324 RESID 243 (I): N 125.100 125.100 126.096 -0.996 RESID 243 (I): C 175.300 175.300 174.266 1.034 RESID 243 (I): CA 60.340 60.340 60.636 -0.296 RESID 243 (I): CB 41.290 41.290 38.401 2.889 RESID 243 (I): H 8.746 8.746 8.517 0.229 RESID 244 (Q): N 128.400 128.400 127.536 0.864 RESID 244 (Q): C 175.300 175.300 174.255 1.045 RESID 244 (Q): CA 56.460 56.460 54.926 1.534 RESID 244 (Q): CB 29.800 29.800 29.793 0.007 RESID 244 (Q): H 8.768 8.768 8.601 0.167 RESID 245 (L): N 125.500 125.500 123.507 1.993 RESID 245 (L): C 176.200 176.200 176.612 -0.412 RESID 245 (L): CA 53.790 53.790 53.116 0.674 RESID 245 (L): CB 45.100 45.100 44.849 0.251 RESID 245 (L): H 8.640 8.640 8.350 0.290 RESID 246 (G): N 109.700 109.700 105.070 4.630 RESID 246 (G): C 174.200 174.200 174.327 -0.127 RESID 246 (G): CA 44.590 44.590 45.037 -0.447 RESID 246 (G): H 8.424 8.424 8.444 -0.020 RESID 247 (G): N 108.500 108.500 108.657 -0.157 RESID 247 (G): C 176.800 176.800 174.974 1.826 RESID 247 (G): CA 47.500 47.500 44.349 3.151 RESID 247 (G): H 8.666 8.666 7.735 0.931 RESID 248 (E): N 123.700 123.700 121.139 2.561 RESID 248 (E): C 177.300 177.300 176.499 0.801 RESID 248 (E): CA 58.560 58.560 57.503 1.057 RESID 248 (E): CB 29.330 29.330 29.171 0.159 RESID 248 (E): H 9.265 9.265 8.813 0.452 RESID 249 (N): N 116.700 116.700 116.566 0.134 RESID 249 (N): C 175.500 175.500 176.005 -0.505 RESID 249 (N): CA 53.490 53.490 53.579 -0.089 RESID 249 (N): CB 39.390 39.390 38.815 0.575 RESID 249 (N): H 7.963 7.963 7.729 0.234 RESID 250 (L): N 121.100 121.100 119.931 1.169 RESID 250 (L): C 177.100 177.100 178.099 -0.999 RESID 250 (L): CA 58.810 58.810 57.026 1.784 RESID 250 (L): CB 42.220 42.220 41.469 0.751 RESID 250 (L): H 7.104 7.104 7.791 -0.687 RESID 251 (A): N 117.400 117.400 122.411 -5.011 RESID 251 (A): C 179.500 179.500 178.168 1.332 RESID 251 (A): CA 55.340 55.340 54.660 0.680 RESID 251 (A): CB 17.960 17.960 18.387 -0.428 RESID 251 (A): H 8.141 8.141 8.315 -0.174 RESID 252 (A): N 117.400 117.400 118.594 -1.194 RESID 252 (A): C 179.100 179.100 178.325 0.775 RESID 252 (A): CA 53.990 53.990 52.395 1.595 RESID 252 (A): CB 18.970 18.970 18.954 0.015 RESID 252 (A): H 7.375 7.375 8.409 -1.034 RESID 253 (G): N 100.600 100.600 107.901 -7.301 RESID 253 (G): C 172.700 172.700 174.796 -2.096 RESID 253 (G): CA 45.380 45.380 45.021 0.359 RESID 253 (G): H 7.589 7.589 7.553 0.036 RESID 254 (L): N 124.800 124.800 122.843 1.957 RESID 254 (L): C 175.300 175.300 177.577 -2.277 RESID 254 (L): CA 53.020 53.020 54.876 -1.856 RESID 254 (L): CB 39.090 39.090 42.108 -3.018 RESID 254 (L): H 7.202 7.202 7.789 -0.587 RESID 255 (N): N 113.800 113.800 121.488 -7.688 RESID 255 (N): C 176.600 176.600 176.254 0.346 RESID 255 (N): CA 53.420 53.420 53.969 -0.549 RESID 255 (N): CB 37.600 37.600 38.826 -1.226 RESID 255 (N): H 7.701 7.701 8.841 -1.140 RESID 256 (G): N 109.100 109.100 106.632 2.468 RESID 256 (G): C 172.200 172.200 174.592 -2.392 RESID 256 (G): CA 45.790 45.790 45.332 0.458 RESID 256 (G): H 7.856 7.856 8.552 -0.696 RESID 257 (E): N 120.100 120.100 118.814 1.286 RESID 257 (E): C 176.900 176.900 175.593 1.307 RESID 257 (E): CA 57.880 57.880 56.617 1.263 RESID 257 (E): CB 29.760 29.760 30.573 -0.813 RESID 257 (E): H 8.443 8.443 8.640 -0.197 RESID 258 (S): N 107.500 107.500 113.679 -6.179 RESID 258 (S): C 172.500 172.500 172.431 0.069 RESID 258 (S): CA 58.010 58.010 58.546 -0.536 RESID 258 (S): CB 66.360 66.360 63.795 2.565 RESID 258 (S): H 7.176 7.176 8.016 -0.840 RESID 259 (L): N 124.900 124.900 127.596 -2.696 RESID 259 (L): C 173.900 173.900 176.475 -2.575 RESID 259 (L): CA 53.630 53.630 54.367 -0.737 RESID 259 (L): CB 46.240 46.240 42.390 3.850 RESID 259 (L): H 8.969 8.969 8.044 0.925 RESID 260 (F): N 123.700 123.700 123.025 0.675 RESID 260 (F): C 174.200 174.200 176.034 -1.834 RESID 260 (F): CA 56.460 56.460 54.944 1.516 RESID 260 (F): CB 41.560 41.560 40.475 1.085 RESID 260 (F): H 9.295 9.295 8.150 1.145 RESID 261 (L): N 123.900 123.900 120.187 3.713 RESID 261 (L): C 177.600 177.600 177.098 0.502 RESID 261 (L): CA 54.010 54.010 53.192 0.818 RESID 261 (L): CB 41.470 41.470 45.508 -4.037 RESID 261 (L): H 9.034 9.034 8.179 0.855 RESID 262 (F): N 123.800 123.800 122.383 1.417 RESID 262 (F): C 175.500 175.500 175.672 -0.172 RESID 262 (F): CA 58.850 58.850 56.901 1.949 RESID 262 (F): CB 39.930 39.930 38.504 1.427 RESID 262 (F): H 9.338 9.338 9.092 0.246 RESID 263 (A): N 121.900 121.900 124.118 -2.218 RESID 263 (A): C 175.300 175.300 177.026 -1.726 RESID 263 (A): CA 53.630 53.630 52.673 0.957 RESID 263 (A): CB 19.700 19.700 16.813 2.887 RESID 263 (A): H 8.902 8.902 8.313 0.589 RESID 264 (G): N 104.500 104.500 111.530 -7.030 RESID 264 (G): C 171.100 171.100 172.726 -1.626 RESID 264 (G): CA 45.540 45.540 45.052 0.488 RESID 264 (G): H 6.746 6.746 7.873 -1.127 RESID 265 (D): N 122.300 122.300 122.676 -0.376 RESID 265 (D): C 177.300 177.300 177.269 0.031 RESID 265 (D): CA 51.660 51.660 52.782 -1.122 RESID 265 (D): CB 42.840 42.840 42.264 0.576 RESID 265 (D): H 9.052 9.052 8.115 0.937 RESID 266 (Q): N 118.400 118.400 119.609 -1.209 RESID 266 (Q): C 177.600 177.600 177.454 0.146 RESID 266 (Q): CA 58.620 58.620 59.068 -0.448 RESID 266 (Q): CB 28.490 28.490 28.647 -0.157 RESID 266 (Q): H 8.277 8.277 8.606 -0.329 RESID 267 (K): N 117.700 117.700 118.787 -1.087 RESID 267 (K): C 180.400 180.400 178.091 2.309 RESID 267 (K): CA 59.390 59.390 59.550 -0.160 RESID 267 (K): CB 31.440 31.440 31.786 -0.346 RESID 267 (K): H 7.879 7.879 7.918 -0.039 RESID 268 (D): N 121.600 121.600 119.648 1.952 RESID 268 (D): C 177.400 177.400 178.341 -0.941 RESID 268 (D): CA 57.980 57.980 56.978 1.002 RESID 268 (D): CB 41.550 41.550 40.251 1.299 RESID 268 (D): H 7.640 7.640 8.119 -0.479 RESID 269 (A): N 121.700 121.700 121.475 0.225 RESID 269 (A): C 179.000 179.000 178.415 0.585 RESID 269 (A): CA 55.640 55.640 54.922 0.718 RESID 269 (A): CB 17.490 17.490 18.194 -0.704 RESID 269 (A): H 7.370 7.370 7.618 -0.248 RESID 270 (D): N 118.200 118.200 117.944 0.256 RESID 270 (D): C 179.300 179.300 176.505 2.795 RESID 270 (D): CA 57.570 57.570 56.301 1.269 RESID 270 (D): CB 39.860 39.860 40.248 -0.388 RESID 270 (D): H 8.735 8.735 7.955 0.780 RESID 271 (A): N 122.900 122.900 119.880 3.020 RESID 271 (A): C 180.800 180.800 179.318 1.482 RESID 271 (A): CA 55.040 55.040 53.551 1.489 RESID 271 (A): CB 18.300 18.300 19.328 -1.028 RESID 271 (A): H 7.579 7.579 7.034 0.545 RESID 272 (I): N 0.000 0.000 120.466 -120.466 RESID 272 (I): C 178.300 178.300 176.963 1.337 RESID 272 (I): CA 63.880 63.880 64.653 -0.773 RESID 272 (I): CB 35.710 35.710 38.128 -2.418 RESID 272 (I): H 7.340 7.340 8.399 -1.059 RESID 273 (Y): N 116.300 116.300 116.966 -0.666 RESID 273 (Y): C 177.000 177.000 176.763 0.237 RESID 273 (Y): CA 61.100 61.100 58.247 2.853 RESID 273 (Y): CB 37.770 37.770 35.836 1.934 RESID 273 (Y): H 7.509 7.509 7.291 0.218 RESID 274 (A): N 118.600 118.600 121.866 -3.266 RESID 274 (A): C 177.200 177.200 177.169 0.031 RESID 274 (A): CA 52.030 52.030 53.002 -0.972 RESID 274 (A): CB 19.580 19.580 19.418 0.163 RESID 274 (A): H 7.495 7.495 7.836 -0.341 RESID 275 (N): N 119.900 119.900 118.218 1.682 RESID 275 (N): C 175.700 175.700 174.005 1.695 RESID 275 (N): CA 51.030 51.030 51.407 -0.378 RESID 275 (N): CB 38.590 38.590 37.029 1.561 RESID 275 (N): H 7.200 7.200 7.949 -0.749 RESID 276 (P): C 178.900 178.900 178.486 0.414 RESID 276 (P): CA 65.190 65.190 65.450 -0.260 RESID 276 (P): CB 32.440 32.440 32.040 0.400 RESID 277 (L): N 116.700 116.700 117.426 -0.726 RESID 277 (L): C 178.000 178.000 178.897 -0.897 RESID 277 (L): CA 56.630 56.630 57.553 -0.923 RESID 277 (L): CB 41.720 41.720 41.500 0.220 RESID 277 (L): H 7.777 7.777 7.927 -0.150 RESID 278 (L): N 115.100 115.100 116.578 -1.478 RESID 278 (L): C 176.600 176.600 177.881 -1.281 RESID 278 (L): CA 53.200 53.200 54.952 -1.752 RESID 278 (L): CB 40.960 40.960 41.310 -0.350 RESID 278 (L): H 7.485 7.485 7.679 -0.194 RESID 279 (A): N 118.600 118.600 123.120 -4.520 RESID 279 (A): C 177.700 177.700 177.819 -0.119 RESID 279 (A): CA 55.090 55.090 54.375 0.715 RESID 279 (A): CB 19.710 19.710 18.610 1.100 RESID 279 (A): H 6.665 6.665 7.902 -1.237 RESID 280 (H): N 111.600 111.600 115.283 -3.683 RESID 280 (H): C 175.500 175.500 175.207 0.293 RESID 280 (H): CA 55.360 55.360 56.253 -0.893 RESID 280 (H): CB 29.540 29.540 28.643 0.897 RESID 280 (H): H 8.337 8.337 8.184 0.153 RESID 281 (L): N 124.100 124.100 122.523 1.577 RESID 281 (L): C 176.300 176.300 175.877 0.423 RESID 281 (L): CA 53.330 53.330 52.957 0.373 RESID 281 (L): CB 40.490 40.490 41.933 -1.443 RESID 281 (L): H 7.289 7.289 7.443 -0.154 RESID 282 (P): C 178.200 178.200 178.388 -0.188 RESID 282 (P): CA 66.050 66.050 65.704 0.347 RESID 282 (P): CB 32.150 32.150 31.715 0.435 RESID 283 (A): N 116.000 116.000 119.172 -3.172 RESID 283 (A): C 179.000 179.000 179.843 -0.843 RESID 283 (A): CA 55.630 55.630 55.195 0.435 RESID 283 (A): CB 19.490 19.490 18.183 1.306 RESID 283 (A): H 7.969 7.969 8.426 -0.457 RESID 284 (V): N 115.200 115.200 118.486 -3.286 RESID 284 (V): C 180.000 180.000 178.928 1.072 RESID 284 (V): CA 65.640 65.640 65.893 -0.253 RESID 284 (V): CB 32.560 32.560 30.828 1.732 RESID 284 (V): H 6.557 6.557 7.680 -1.123 RESID 285 (Q): N 121.200 121.200 120.447 0.753 RESID 285 (Q): C 178.000 178.000 177.655 0.345 RESID 285 (Q): CA 59.500 59.500 58.800 0.700 RESID 285 (Q): CB 29.080 29.080 28.610 0.470 RESID 285 (Q): H 8.581 8.581 7.817 0.764 RESID 286 (N): N 112.600 112.600 113.995 -1.395 RESID 286 (N): C 174.500 174.500 173.857 0.643 RESID 286 (N): CA 53.160 53.160 52.722 0.438 RESID 286 (N): CB 38.390 38.390 38.735 -0.345 RESID 286 (N): H 8.117 8.117 8.046 0.071 RESID 287 (K): N 118.500 118.500 115.904 2.596 RESID 287 (K): C 176.100 176.100 176.222 -0.122 RESID 287 (K): CA 57.540 57.540 57.303 0.237 RESID 287 (K): CB 28.570 28.570 29.546 -0.976 RESID 287 (K): H 7.724 7.724 7.695 0.029 RESID 288 (Q): N 119.700 119.700 117.159 2.541 RESID 288 (Q): C 173.700 173.700 174.077 -0.377 RESID 288 (Q): CA 52.970 52.970 54.826 -1.856 RESID 288 (Q): CB 28.640 28.640 28.941 -0.301 RESID 288 (Q): H 8.895 8.895 8.429 0.466 RESID 289 (V): N 119.200 119.200 118.647 0.553 RESID 289 (V): C 175.100 175.100 175.008 0.092 RESID 289 (V): CA 61.600 61.600 61.072 0.528 RESID 289 (V): CB 32.610 32.610 33.823 -1.213 RESID 289 (V): H 6.246 6.246 6.903 -0.657 RESID 290 (Y): N 125.700 125.700 124.374 1.326 RESID 290 (Y): C 174.100 174.100 174.470 -0.370 RESID 290 (Y): CA 56.830 56.830 56.536 0.294 RESID 290 (Y): CB 40.950 40.950 42.371 -1.421 RESID 290 (Y): H 8.682 8.682 9.095 -0.413 RESID 291 (A): N 126.900 126.900 122.037 4.863 RESID 291 (A): C 178.300 178.300 176.765 1.535 RESID 291 (A): CA 51.560 51.560 50.382 1.178 RESID 291 (A): CB 19.670 19.670 21.249 -1.579 RESID 291 (A): H 9.057 9.057 8.653 0.404 RESID 292 (L): N 120.800 120.800 119.834 0.966 RESID 292 (L): C 175.500 175.500 176.227 -0.727 RESID 292 (L): CA 54.880 54.880 54.251 0.629 RESID 292 (L): CB 42.490 42.490 42.268 0.222 RESID 292 (L): H 8.342 8.342 8.917 -0.575 RESID 293 (G): N 107.500 107.500 103.818 3.682 RESID 293 (G): C 177.600 177.600 174.086 3.514 RESID 293 (G): CA 45.110 45.110 44.439 0.671 RESID 293 (G): H 7.973 7.973 7.387 0.586 RESID 294 (T): N 117.800 117.800 116.728 1.072 RESID 294 (T): C 176.400 176.400 176.012 0.388 RESID 294 (T): CA 65.260 65.260 65.180 0.081 RESID 294 (T): CB 68.310 68.310 69.165 -0.855 RESID 294 (T): H 8.808 8.808 8.575 0.233 RESID 295 (E): N 122.100 122.100 119.953 2.147 RESID 295 (E): C 177.700 177.700 176.601 1.099 RESID 295 (E): CA 58.540 58.540 58.330 0.210 RESID 295 (E): CB 29.010 29.010 28.766 0.244 RESID 295 (E): H 10.380 10.380 8.842 1.538 RESID 296 (T): N 103.000 103.000 108.630 -5.630 RESID 296 (T): C 173.600 173.600 174.322 -0.722 RESID 296 (T): CA 62.320 62.320 61.245 1.075 RESID 296 (T): CB 69.170 69.170 67.762 1.408 RESID 296 (T): H 7.062 7.062 7.914 -0.852 RESID 297 (F): N 121.500 121.500 123.095 -1.595 RESID 297 (F): C 174.500 174.500 175.862 -1.362 RESID 297 (F): CA 61.700 61.700 61.028 0.673 RESID 297 (F): CB 39.640 39.640 39.772 -0.132 RESID 297 (F): H 8.108 8.108 7.818 0.290 RESID 298 (R): N 116.800 116.800 119.750 -2.950 RESID 298 (R): C 176.000 176.000 175.100 0.900 RESID 298 (R): CA 54.160 54.160 55.748 -1.588 RESID 298 (R): CB 32.460 32.460 31.097 1.363 RESID 298 (R): H 7.552 7.552 8.228 -0.676 RESID 299 (L): N 125.500 125.500 126.471 -0.971 RESID 299 (L): C 174.800 174.800 174.354 0.446 RESID 299 (L): CA 54.300 54.300 53.959 0.341 RESID 299 (L): CB 41.670 41.670 44.041 -2.371 RESID 299 (L): H 8.903 8.903 8.384 0.519 RESID 300 (D): N 124.600 124.600 123.301 1.299 RESID 300 (D): C 173.400 173.400 175.653 -2.253 RESID 300 (D): CA 51.880 51.880 53.192 -1.312 RESID 300 (D): CB 43.230 43.230 42.707 0.523 RESID 300 (D): H 7.735 7.735 8.666 -0.931 RESID 301 (Y): N 118.100 118.100 121.382 -3.282 RESID 301 (Y): C 175.300 175.300 176.147 -0.847 RESID 301 (Y): CA 61.650 61.650 63.296 -1.646 RESID 301 (Y): CB 38.740 38.740 38.701 0.039 RESID 301 (Y): H 7.943 7.943 8.992 -1.049 RESID 302 (Y): N 112.300 112.300 115.439 -3.139 RESID 302 (Y): C 180.800 180.800 177.614 3.186 RESID 302 (Y): CA 61.970 61.970 60.913 1.057 RESID 302 (Y): CB 37.990 37.990 37.996 -0.006 RESID 302 (Y): H 7.309 7.309 8.120 -0.810 RESID 303 (S): N 119.100 119.100 115.772 3.328 RESID 303 (S): C 176.300 176.300 176.506 -0.206 RESID 303 (S): CA 60.690 60.690 61.536 -0.846 RESID 303 (S): CB 63.180 63.180 62.682 0.498 RESID 303 (S): H 9.411 9.411 9.415 -0.004 RESID 304 (A): N 126.900 126.900 125.471 1.429 RESID 304 (A): C 180.400 180.400 179.356 1.044 RESID 304 (A): CA 56.000 56.000 54.896 1.104 RESID 304 (A): CB 18.040 18.040 17.927 0.113 RESID 304 (A): H 8.860 8.860 7.817 1.043 RESID 305 (M): N 116.600 116.600 117.990 -1.390 RESID 305 (M): C 179.300 179.300 178.877 0.423 RESID 305 (M): CA 57.880 57.880 59.764 -1.884 RESID 305 (M): CB 31.350 31.350 32.386 -1.036 RESID 305 (M): H 7.346 7.346 7.510 -0.164 RESID 306 (Q): N 119.300 119.300 118.797 0.503 RESID 306 (Q): C 179.000 179.000 178.837 0.163 RESID 306 (Q): CA 59.410 59.410 58.885 0.525 RESID 306 (Q): CB 28.450 28.450 28.823 -0.373 RESID 306 (Q): H 7.633 7.633 7.784 -0.151 RESID 308 (L): C 178.700 178.700 178.491 0.209 RESID 308 (L): CA 58.690 58.690 58.421 0.269 RESID 308 (L): CB 41.790 41.790 41.386 0.404 RESID 309 (D): N 119.100 119.100 119.061 0.039 RESID 309 (D): C 179.600 179.600 178.890 0.710 RESID 309 (D): CA 57.830 57.830 57.544 0.286 RESID 309 (D): CB 40.820 40.820 40.334 0.485 RESID 309 (D): H 7.984 7.984 8.038 -0.054 RESID 310 (R): N 121.700 121.700 120.612 1.088 RESID 310 (R): C 178.900 178.900 178.729 0.171 RESID 310 (R): CA 58.590 58.590 59.187 -0.597 RESID 310 (R): CB 29.820 29.820 30.151 -0.331 RESID 310 (R): H 8.463 8.463 7.603 0.860 RESID 311 (L): N 119.200 119.200 119.912 -0.712 RESID 311 (L): C 178.800 178.800 178.727 0.073 RESID 311 (L): CA 58.380 58.380 58.115 0.265 RESID 311 (L): CB 42.340 42.340 41.835 0.505 RESID 311 (L): H 8.489 8.489 8.328 0.161 RESID 312 (K): N 116.500 116.500 118.715 -2.215 RESID 312 (K): C 178.000 178.000 178.401 -0.401 RESID 312 (K): CA 59.250 59.250 59.170 0.080 RESID 312 (K): CB 32.440 32.440 32.491 -0.051 RESID 312 (K): H 7.955 7.955 8.153 -0.198 RESID 313 (A): N 119.500 119.500 120.749 -1.249 RESID 313 (A): C 180.000 180.000 178.678 1.322 RESID 313 (A): CA 53.920 53.920 53.287 0.633 RESID 313 (A): CB 18.800 18.800 19.247 -0.447 RESID 313 (A): H 7.427 7.427 7.733 -0.306 RESID 314 (L): N 119.500 119.500 119.172 0.328 RESID 314 (L): C 177.400 177.400 176.457 0.943 RESID 314 (L): CA 56.770 56.770 57.240 -0.470 RESID 314 (L): CB 43.730 43.730 42.361 1.369 RESID 314 (L): H 7.431 7.431 8.138 -0.707 N HA C CA CB H RESID 26 (W): -3.511 ----- -0.873 0.334 3.251 0.245 RESID 27 (P): ----- ----- -0.020 -0.288 4.931 ----- RESID 28 (R): -3.780 ----- -1.430 0.745 0.770 0.089 RESID 29 (Q): -0.826 ----- 0.564 -1.305 1.440 -0.092 RESID 30 (I): -1.738 ----- 0.627 -0.873 -0.566 1.045 RESID 31 (T): 3.307 ----- 0.729 -1.344 1.052 0.590 RESID 32 (D): 5.828 ----- 1.426 0.709 -0.615 1.444 RESID 33 (S): -4.506 ----- -0.424 0.334 -0.423 -0.205 RESID 34 (R): -2.533 ----- -0.830 -3.518 0.133 0.611 RESID 35 (G): 5.171 ----- -2.288 -0.508 ----- -0.777 RESID 36 (T): 0.448 ----- 0.970 0.064 -0.185 0.540 RESID 37 (H): 0.469 ----- 0.730 -1.344 -2.054 0.363 RESID 38 (T): 3.752 ----- 1.271 2.058 -1.245 1.409 RESID 39 (L): 7.191 ----- 0.027 0.517 -0.973 0.414 RESID 40 (E): -1.510 ----- -0.332 0.260 0.492 0.123 RESID 41 (S): -1.768 ----- -1.475 -0.875 0.596 -0.160 RESID 42 (Q): 3.309 ----- -0.138 -2.067 0.585 -1.273 RESID 43 (P): ----- ----- -0.214 0.675 0.093 ----- RESID 44 (Q): 2.577 ----- -0.641 -1.426 2.832 2.592 RESID 45 (R): 8.158 ----- 0.517 0.065 -0.044 2.446 RESID 47 (V): ----- ----- 0.358 -0.272 -0.255 ----- RESID 48 (S): -2.001 ----- 1.911 -1.945 -1.137 -0.643 RESID 49 (T): 4.167 ----- -2.885 0.941 -0.378 -0.354 RESID 50 (S): -0.860 ----- -0.592 -2.499 -0.084 -0.066 RESID 51 (V): 5.243 ----- -2.779 -0.416 -0.195 0.197 RESID 52 (T): 0.404 ----- 3.323 0.316 0.451 -0.142 RESID 53 (L): 1.436 ----- 0.531 -0.749 0.862 -0.513 RESID 54 (T): 1.764 ----- -1.738 -0.675 ----- -0.093 RESID 55 (G): -3.685 ----- -0.176 0.314 ----- -1.276 RESID 56 (S): -0.787 ----- -1.156 1.955 1.974 -1.252 RESID 58 (L): ----- ----- 1.791 -0.269 -0.100 ----- RESID 59 (A): -0.790 ----- -0.314 0.734 -0.320 -0.312 RESID 60 (I): ----- ----- -1.539 0.159 0.464 ----- RESID 61 (D): -2.355 ----- 0.245 0.047 -0.029 -0.002 RESID 62 (A): -3.056 ----- 2.683 -0.853 -1.633 0.091 RESID 63 (P): ----- ----- -2.109 0.618 -4.708 ----- RESID 64 (V): 3.937 ----- -0.924 -1.445 -0.803 0.433 RESID 65 (I): -4.325 ----- 1.548 -3.033 1.269 0.193 RESID 66 (A): 4.312 ----- -0.086 0.649 1.463 -0.428 RESID 67 (S): -5.026 ----- 2.233 -2.084 -2.428 0.249 RESID 68 (G): 5.665 ----- -1.610 2.081 ----- -1.115 RESID 69 (A): -3.704 ----- 2.664 -1.180 2.070 -0.810 RESID 70 (T): 5.465 ----- -2.717 -3.162 1.028 1.003 RESID 71 (T): -5.205 ----- -0.408 0.038 1.545 -0.818 RESID 72 (P): ----- ----- 0.977 -0.198 0.722 ----- RESID 73 (N): -4.570 ----- -1.612 0.727 -1.454 -0.708 RESID 74 (N): ----- ----- -1.149 5.014 0.337 ----- RESID 75 (R): -6.314 ----- -0.161 1.088 1.048 -0.290 RESID 76 (V): -10.319 ----- 0.053 -2.930 2.029 -0.836 RESID 77 (A): 5.896 ----- -1.091 -1.049 5.112 0.715 RESID 78 (D): 1.767 ----- 2.204 -0.946 0.364 0.428 RESID 79 (D): 0.842 ----- 0.283 1.093 0.886 -0.150 RESID 80 (Q): -4.364 ----- -1.182 -1.522 2.414 -0.178 RESID 81 (G): 0.008 ----- 0.860 0.950 ----- -0.644 RESID 82 (F): 0.626 ----- -0.433 -4.248 -2.621 0.307 RESID 83 (L): ----- ----- 0.958 0.363 -3.478 ----- RESID 84 (R): 0.299 ----- 0.760 3.438 1.645 -0.685 RESID 85 (Q): -2.591 ----- -2.697 0.216 -3.154 1.863 RESID 86 (W): -6.380 ----- -1.860 -5.133 -2.147 -1.954 RESID 87 (S): 3.921 ----- 1.443 0.515 ----- -1.277 RESID 88 (K): -3.922 ----- 0.173 0.466 -0.093 0.957 RESID 89 (V): 6.319 ----- 0.788 0.088 0.511 -0.640 RESID 90 (A): -0.440 ----- 1.057 1.324 1.313 0.645 RESID 91 (K): -0.449 ----- 3.009 0.983 -0.013 -0.275 RESID 92 (E): 5.060 ----- 1.497 2.267 -0.661 0.471 RESID 93 (R): -3.122 ----- 0.336 0.791 -1.523 -0.275 RESID 94 (K): 1.799 ----- 0.676 -0.642 -1.399 -0.700 RESID 95 (L): -1.108 ----- 0.283 0.751 1.024 0.077 RESID 96 (Q): 0.397 ----- -0.974 0.622 0.331 -0.878 RESID 97 (R): 6.467 ----- 0.573 -1.059 1.619 0.498 RESID 98 (L): 3.515 ----- -0.404 2.453 3.308 -0.446 RESID 99 (Y): -2.115 ----- -1.387 -0.818 -1.012 -1.358 RESID 100 (I): -6.219 ----- -0.344 -1.800 3.583 0.112 RESID 101 (G): 0.875 ----- -0.703 2.208 ----- -0.258 RESID 102 (E): 10.899 ----- -0.781 0.480 2.028 0.285 RESID 103 (P): ----- ----- -0.840 -1.383 -0.103 ----- RESID 104 (S): -5.234 ----- 0.167 -3.175 -0.106 -2.569 RESID 105 (A): 0.274 ----- 0.356 0.744 -0.894 0.324 RESID 106 (E): 0.379 ----- 0.445 1.246 -0.473 0.135 RESID 107 (A): -0.504 ----- 0.362 -0.277 0.783 -0.126 RESID 108 (V): -1.965 ----- -0.805 0.965 -0.302 -0.504 RESID 109 (A): -1.436 ----- 1.842 0.618 -0.152 0.145 RESID 110 (A): -0.738 ----- 0.262 -0.251 -0.036 -0.313 RESID 111 (Q): -1.028 ----- -1.034 0.935 -0.202 -0.295 RESID 112 (M): -6.252 ----- 0.056 0.382 -1.445 -0.058 RESID 113 (P): ----- ----- 0.447 0.234 0.316 ----- RESID 114 (D): -2.127 ----- -0.013 -2.018 -2.034 0.621 RESID 115 (L): ----- ----- 0.593 -1.328 ----- ----- RESID 116 (I): -2.702 ----- ----- 0.170 ----- 1.329 RESID 118 (I): ----- ----- -1.062 0.481 1.209 ----- RESID 119 (S): -0.159 ----- 0.531 -0.575 0.679 1.016 RESID 120 (A): 1.542 ----- -0.556 -0.036 1.579 -0.580 RESID 121 (T): -4.106 ----- -0.117 -2.461 1.601 -0.234 RESID 122 (G): -6.554 ----- 3.060 -0.759 ----- 0.158 RESID 123 (G): ----- ----- -0.218 1.036 ----- ----- RESID 124 (D): -2.254 ----- 1.154 -0.614 0.088 0.891 RESID 125 (S): -4.037 ----- 1.720 0.082 0.118 -1.116 RESID 126 (A): 4.831 ----- -1.956 -2.347 -2.246 0.231 RESID 127 (L): 0.019 ----- 0.574 1.444 1.223 -0.785 RESID 128 (A): 3.483 ----- 0.769 0.853 -0.494 1.303 RESID 129 (L): 0.525 ----- -0.895 -1.312 -0.385 0.354 RESID 130 (Y): -0.787 ----- 0.378 1.450 1.056 -1.100 RESID 131 (D): 1.184 ----- -0.092 0.615 0.282 0.913 RESID 132 (Q): -0.979 ----- 0.199 0.359 0.553 -0.156 RESID 133 (L): -0.488 ----- -0.706 0.216 -0.807 -0.368 RESID 134 (S): -3.056 ----- -0.353 0.207 0.747 -0.327 RESID 135 (T): -4.898 ----- -1.308 -2.075 0.660 -0.595 RESID 136 (I): 3.909 ----- 0.205 -0.106 0.289 0.337 RESID 137 (A): 1.851 ----- -1.680 -0.110 -0.159 -0.440 RESID 138 (P): ----- ----- -1.497 1.078 0.063 ----- RESID 139 (T): 2.182 ----- -0.038 -1.537 1.832 -0.179 RESID 140 (L): ----- ----- 0.583 -0.738 0.574 ----- RESID 141 (I): -2.123 ----- 0.927 -0.852 0.886 1.397 RESID 142 (I): 2.251 ----- 0.431 -1.948 -2.512 0.019 RESID 143 (N): 4.859 ----- 0.486 -1.974 0.109 0.716 RESID 144 (Y): -5.845 ----- 1.735 -3.684 -0.183 0.016 RESID 145 (D): 0.878 ----- 1.759 -0.196 3.353 0.448 RESID 146 (D): 3.951 ----- -0.099 -0.356 -1.628 -1.040 RESID 147 (K): -5.688 ----- -0.266 -1.541 -1.834 -0.541 RESID 148 (S): -0.436 ----- -0.404 -0.083 0.734 0.207 RESID 149 (W): 1.691 ----- 2.083 1.302 -0.709 -0.141 RESID 150 (Q): 3.279 ----- 0.260 3.377 -1.184 1.616 RESID 151 (S): 1.121 ----- 0.588 0.589 0.718 0.087 RESID 152 (L): 2.551 ----- 0.543 0.389 0.285 0.059 RESID 153 (L): 0.585 ----- 1.042 1.435 -0.101 0.948 RESID 154 (T): 3.520 ----- 0.309 1.325 0.539 0.132 RESID 155 (Q): 3.514 ----- 1.208 1.379 0.276 0.323 RESID 156 (L): ----- ----- 1.641 0.626 -0.129 ----- RESID 157 (G): 5.789 ----- -0.578 1.793 ----- 1.233 RESID 158 (E): 4.842 ----- 0.662 1.279 0.319 0.019 RESID 160 (T): ----- ----- 2.308 -1.206 2.654 ----- RESID 161 (G): -0.252 ----- 0.465 1.244 ----- -0.875 RESID 162 (H): 5.009 ----- -2.153 -0.484 -3.012 0.671 RESID 163 (E): 1.769 ----- 2.343 1.452 -0.454 1.547 RESID 164 (K): 0.208 ----- -0.089 -0.467 0.309 0.395 RESID 165 (Q): 2.217 ----- 0.669 2.032 -0.265 -0.488 RESID 166 (A): -1.346 ----- -1.427 1.322 0.229 -0.109 RESID 167 (A): -3.038 ----- 1.896 -0.168 -0.304 -1.125 RESID 168 (E): 1.550 ----- 0.468 -0.007 0.452 0.325 RESID 170 (I): ----- ----- -0.005 1.575 1.357 ----- RESID 171 (A): -2.490 ----- 1.360 -0.349 0.145 -0.775 RESID 172 (Q): 2.571 ----- 0.617 0.709 -0.260 0.642 RESID 173 (F): -0.106 ----- -0.998 1.607 0.360 -0.330 RESID 174 (D): 0.892 ----- 1.418 0.540 -0.087 -0.271 RESID 175 (K): 1.082 ----- 1.164 -0.011 0.315 0.023 RESID 176 (Q): 2.080 ----- 0.767 -0.480 -0.535 0.347 RESID 177 (L): 6.004 ----- -0.272 2.658 -0.162 1.200 RESID 178 (A): -1.067 ----- 1.371 0.193 0.090 -0.556 RESID 179 (A): -0.791 ----- 0.734 0.345 -0.410 0.049 RESID 180 (A): 0.034 ----- 0.095 0.759 -0.294 0.179 RESID 181 (K): 0.161 ----- -0.067 0.614 0.695 0.033 RESID 182 (E): -2.080 ----- -0.129 0.757 1.092 -0.533 RESID 183 (Q): -0.695 ----- 1.027 0.235 0.424 -0.178 RESID 184 (I): 1.935 ----- 0.955 3.253 0.345 0.296 RESID 185 (K): 4.760 ----- -0.029 -0.570 -2.914 0.829 RESID 186 (L): -1.053 ----- -0.209 2.353 0.382 -0.432 RESID 188 (P): ----- ----- -1.453 1.468 1.002 ----- RESID 189 (Q): 0.317 ----- 1.863 -2.384 0.922 -0.160 RESID 190 (P): ----- ----- -0.080 0.351 2.635 ----- RESID 191 (V): -8.999 ----- 0.336 0.219 0.337 0.707 RESID 192 (T): 7.363 ----- 0.206 3.499 0.297 0.137 RESID 193 (A): 9.884 ----- -0.008 -0.553 -0.309 1.609 RESID 194 (I): -2.072 ----- 2.897 -0.462 1.812 0.735 RESID 195 (V): -4.285 ----- 2.129 1.797 0.148 -0.159 RESID 196 (Y): 2.713 ----- 0.549 -0.415 1.073 1.003 RESID 197 (T): 1.490 ----- 0.928 0.112 -3.037 0.431 RESID 198 (A): -0.291 ----- 1.188 1.165 0.082 -0.327 RESID 199 (A): -4.812 ----- -1.014 -0.504 0.409 0.298 RESID 200 (A): -3.841 ----- -0.648 -0.782 1.325 -1.459 RESID 201 (H): 0.369 ----- -0.500 0.372 -0.429 -0.211 RESID 202 (S): -3.957 ----- 0.041 -1.077 -0.138 -0.689 RESID 203 (A): -2.937 ----- -0.386 -0.534 2.301 0.312 RESID 204 (N): 0.045 ----- -0.159 -0.549 -2.079 0.104 RESID 205 (L): 5.458 ----- 0.127 0.851 1.553 1.652 RESID 206 (W): 1.641 ----- 0.650 -0.741 -1.135 0.648 RESID 207 (T): 1.791 ----- 2.815 0.877 -1.850 -0.109 RESID 208 (P): ----- ----- -0.850 0.719 -0.212 ----- RESID 209 (E): -2.719 ----- 0.297 0.079 -0.390 -0.356 RESID 210 (S): 0.727 ----- -1.623 -1.129 2.849 0.222 RESID 211 (A): -2.190 ----- 0.755 0.088 -0.232 -0.147 RESID 212 (Q): 0.567 ----- -0.915 2.439 -0.328 0.015 RESID 213 (G): -0.156 ----- -0.917 0.695 ----- -0.251 RESID 214 (Q): -0.796 ----- 0.607 0.284 0.419 0.406 RESID 215 (M): -1.415 ----- -0.370 0.116 -0.791 -0.320 RESID 216 (L): -3.002 ----- 0.870 0.508 -1.446 -0.462 RESID 217 (E): 1.344 ----- 2.952 1.281 -0.269 0.202 RESID 218 (Q): 5.213 ----- -0.762 0.979 -0.271 0.539 RESID 219 (L): 0.711 ----- -2.267 -1.355 1.462 -0.338 RESID 220 (G): 1.941 ----- 1.777 0.060 ----- -0.385 RESID 221 (F): 0.152 ----- 0.851 1.941 -3.849 0.225 RESID 222 (T): 1.641 ----- 0.531 0.566 1.565 0.397 RESID 223 (L): 1.202 ----- 1.667 1.359 -1.145 1.061 RESID 224 (A): -1.333 ----- 1.535 1.462 -2.175 0.972 RESID 225 (K): 2.265 ----- 0.612 0.023 0.171 0.239 RESID 226 (L): -1.806 ----- -0.107 -0.518 0.474 0.113 RESID 227 (P): ----- ----- -0.269 -0.040 0.177 ----- RESID 228 (A): 0.039 ----- 1.021 0.714 0.006 -0.099 RESID 229 (G): 0.208 ----- -0.996 0.609 ----- 0.470 RESID 230 (L): -1.236 ----- -1.454 0.085 0.943 -0.425 RESID 231 (N): -0.438 ----- -0.615 -2.489 0.945 0.185 RESID 232 (A): 4.937 ----- 0.042 1.402 1.303 0.166 RESID 233 (S): -0.040 ----- -0.478 -1.733 0.945 -0.262 RESID 234 (Q): 1.504 ----- 0.716 0.175 -1.321 0.450 RESID 235 (S): -1.013 ----- 0.245 0.017 1.625 -0.211 RESID 236 (Q): -4.835 ----- 1.257 1.114 1.646 -0.481 RESID 237 (G): 1.368 ----- 1.138 0.252 ----- 0.801 RESID 238 (K): -0.969 ----- 1.109 0.470 0.560 -0.391 RESID 239 (R): -4.104 ----- ----- 0.185 0.655 -0.346 RESID 240 (H): ----- ----- -1.713 -2.884 -0.310 ----- RESID 241 (D): 0.573 ----- -1.571 -0.479 -0.667 0.665 RESID 242 (I): 0.208 ----- 1.214 -0.316 2.746 -0.324 RESID 243 (I): -0.996 ----- 1.034 -0.296 2.889 0.229 RESID 244 (Q): 0.864 ----- 1.045 1.534 0.007 0.167 RESID 245 (L): 1.993 ----- -0.412 0.674 0.251 0.290 RESID 246 (G): 4.630 ----- -0.127 -0.447 ----- -0.020 RESID 247 (G): -0.157 ----- 1.826 3.151 ----- 0.931 RESID 248 (E): 2.561 ----- 0.801 1.057 0.159 0.452 RESID 249 (N): 0.134 ----- -0.505 -0.089 0.575 0.234 RESID 250 (L): 1.169 ----- -0.999 1.784 0.751 -0.687 RESID 251 (A): -5.011 ----- 1.332 0.680 -0.428 -0.174 RESID 252 (A): -1.194 ----- 0.775 1.595 0.015 -1.034 RESID 253 (G): -7.301 ----- -2.096 0.359 ----- 0.036 RESID 254 (L): 1.957 ----- -2.277 -1.856 -3.018 -0.587 RESID 255 (N): -7.688 ----- 0.346 -0.549 -1.226 -1.140 RESID 256 (G): 2.468 ----- -2.392 0.458 ----- -0.696 RESID 257 (E): 1.286 ----- 1.307 1.263 -0.813 -0.197 RESID 258 (S): -6.179 ----- 0.069 -0.536 2.565 -0.840 RESID 259 (L): -2.696 ----- -2.575 -0.737 3.850 0.925 RESID 260 (F): 0.675 ----- -1.834 1.516 1.085 1.145 RESID 261 (L): 3.713 ----- 0.502 0.818 -4.037 0.855 RESID 262 (F): 1.417 ----- -0.172 1.949 1.427 0.246 RESID 263 (A): -2.218 ----- -1.726 0.957 2.887 0.589 RESID 264 (G): -7.030 ----- -1.626 0.488 ----- -1.127 RESID 265 (D): -0.376 ----- 0.031 -1.122 0.576 0.937 RESID 266 (Q): -1.209 ----- 0.146 -0.448 -0.157 -0.329 RESID 267 (K): -1.087 ----- 2.309 -0.160 -0.346 -0.039 RESID 268 (D): 1.952 ----- -0.941 1.002 1.299 -0.479 RESID 269 (A): 0.225 ----- 0.585 0.718 -0.704 -0.248 RESID 270 (D): 0.256 ----- 2.795 1.269 -0.388 0.780 RESID 271 (A): 3.020 ----- 1.482 1.489 -1.028 0.545 RESID 272 (I): -120.466 ----- 1.337 -0.773 -2.418 -1.059 RESID 273 (Y): -0.666 ----- 0.237 2.853 1.934 0.218 RESID 274 (A): -3.266 ----- 0.031 -0.972 0.163 -0.341 RESID 275 (N): 1.682 ----- 1.695 -0.378 1.561 -0.749 RESID 276 (P): ----- ----- 0.414 -0.260 0.400 ----- RESID 277 (L): -0.726 ----- -0.897 -0.923 0.220 -0.150 RESID 278 (L): -1.478 ----- -1.281 -1.752 -0.350 -0.194 RESID 279 (A): -4.520 ----- -0.119 0.715 1.100 -1.237 RESID 280 (H): -3.683 ----- 0.293 -0.893 0.897 0.153 RESID 281 (L): 1.577 ----- 0.423 0.373 -1.443 -0.154 RESID 282 (P): ----- ----- -0.188 0.347 0.435 ----- RESID 283 (A): -3.172 ----- -0.843 0.435 1.306 -0.457 RESID 284 (V): -3.286 ----- 1.072 -0.253 1.732 -1.123 RESID 285 (Q): 0.753 ----- 0.345 0.700 0.470 0.764 RESID 286 (N): -1.395 ----- 0.643 0.438 -0.345 0.071 RESID 287 (K): 2.596 ----- -0.122 0.237 -0.976 0.029 RESID 288 (Q): 2.541 ----- -0.377 -1.856 -0.301 0.466 RESID 289 (V): 0.553 ----- 0.092 0.528 -1.213 -0.657 RESID 290 (Y): 1.326 ----- -0.370 0.294 -1.421 -0.413 RESID 291 (A): 4.863 ----- 1.535 1.178 -1.579 0.404 RESID 292 (L): 0.966 ----- -0.727 0.629 0.222 -0.575 RESID 293 (G): 3.682 ----- 3.514 0.671 ----- 0.586 RESID 294 (T): 1.072 ----- 0.388 0.081 -0.855 0.233 RESID 295 (E): 2.147 ----- 1.099 0.210 0.244 1.538 RESID 296 (T): -5.630 ----- -0.722 1.075 1.408 -0.852 RESID 297 (F): -1.595 ----- -1.362 0.673 -0.132 0.290 RESID 298 (R): -2.950 ----- 0.900 -1.588 1.363 -0.676 RESID 299 (L): -0.971 ----- 0.446 0.341 -2.371 0.519 RESID 300 (D): 1.299 ----- -2.253 -1.312 0.523 -0.931 RESID 301 (Y): -3.282 ----- -0.847 -1.646 0.039 -1.049 RESID 302 (Y): -3.139 ----- 3.186 1.057 -0.006 -0.810 RESID 303 (S): 3.328 ----- -0.206 -0.846 0.498 -0.004 RESID 304 (A): 1.429 ----- 1.044 1.104 0.113 1.043 RESID 305 (M): -1.390 ----- 0.423 -1.884 -1.036 -0.164 RESID 306 (Q): 0.503 ----- 0.163 0.525 -0.373 -0.151 RESID 308 (L): ----- ----- 0.209 0.269 0.404 ----- RESID 309 (D): 0.039 ----- 0.710 0.286 0.485 -0.054 RESID 310 (R): 1.088 ----- 0.171 -0.597 -0.331 0.860 RESID 311 (L): -0.712 ----- 0.073 0.265 0.505 0.161 RESID 312 (K): -2.215 ----- -0.401 0.080 -0.051 -0.198 RESID 313 (A): -1.249 ----- 1.322 0.633 -0.447 -0.306 RESID 314 (L): 0.328 ----- 0.943 -0.470 1.369 -0.707 DATA CS_STAT_INFO N RMS: 8.229 ppm Count: 256 Average Difference: 0.470 +/- 8.232 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.227 ppm Count: 281 Average Difference: -0.163 +/- 1.218 ppm DATA CS_STAT_INFO CA RMS: 1.343 ppm Count: 283 Average Difference: -0.097 +/- 1.342 ppm DATA CS_STAT_INFO CB RMS: 1.422 ppm Count: 260 Average Difference: -0.154 +/- 1.416 ppm DATA CS_STAT_INFO HN RMS: 0.715 ppm Count: 256 Average Difference: -0.019 +/- 0.716 ppm ############################################################################ For conformer 17: Atom Original Corrected SPARTA Difference RESID 25 (D): N 120.600 120.600 120.295 0.305 RESID 25 (D): C 174.400 174.400 175.353 -0.953 RESID 25 (D): CA 55.230 55.230 53.163 2.067 RESID 25 (D): CB 41.340 41.340 41.695 -0.355 RESID 25 (D): H 8.275 8.275 8.095 0.180 RESID 26 (W): N 120.100 120.100 123.513 -3.413 RESID 26 (W): C 174.200 174.200 175.082 -0.882 RESID 26 (W): CA 55.330 55.330 54.984 0.346 RESID 26 (W): CB 31.090 31.090 27.836 3.254 RESID 26 (W): H 7.788 7.788 7.603 0.185 RESID 27 (P): C 175.900 175.900 175.915 -0.015 RESID 27 (P): CA 62.800 62.800 63.092 -0.292 RESID 27 (P): CB 37.260 37.260 32.332 4.928 RESID 28 (R): N 118.000 118.000 121.808 -3.808 RESID 28 (R): C 173.700 173.700 175.114 -1.414 RESID 28 (R): CA 55.160 55.160 54.425 0.735 RESID 28 (R): CB 33.430 33.430 32.673 0.757 RESID 28 (R): H 8.686 8.686 8.609 0.077 RESID 29 (Q): N 120.800 120.800 121.555 -0.755 RESID 29 (Q): C 175.500 175.500 174.931 0.569 RESID 29 (Q): CA 54.780 54.780 56.073 -1.293 RESID 29 (Q): CB 30.700 30.700 29.268 1.432 RESID 29 (Q): H 8.506 8.506 8.598 -0.092 RESID 30 (I): N 124.300 124.300 126.059 -1.759 RESID 30 (I): C 175.700 175.700 175.054 0.646 RESID 30 (I): CA 58.520 58.520 59.399 -0.879 RESID 30 (I): CB 40.680 40.680 41.229 -0.549 RESID 30 (I): H 9.002 9.002 7.962 1.040 RESID 31 (T): N 125.200 125.200 121.960 3.240 RESID 31 (T): C 174.400 174.400 173.689 0.711 RESID 31 (T): CA 62.150 62.150 63.448 -1.298 RESID 31 (T): CB 70.640 70.640 69.595 1.045 RESID 31 (T): H 8.989 8.989 8.403 0.586 RESID 32 (D): N 129.500 129.500 123.819 5.681 RESID 32 (D): C 177.400 177.400 175.979 1.421 RESID 32 (D): CA 52.630 52.630 51.890 0.740 RESID 32 (D): CB 42.950 42.950 43.566 -0.616 RESID 32 (D): H 9.389 9.389 7.963 1.426 RESID 33 (S): N 111.900 111.900 116.360 -4.460 RESID 33 (S): C 175.600 175.600 176.026 -0.426 RESID 33 (S): CA 60.920 60.920 60.562 0.358 RESID 33 (S): CB 63.430 63.430 63.868 -0.438 RESID 33 (S): H 8.075 8.075 8.277 -0.202 RESID 34 (R): N 120.600 120.600 123.147 -2.547 RESID 34 (R): C 176.100 176.100 176.929 -0.829 RESID 34 (R): CA 55.020 55.020 58.542 -3.522 RESID 34 (R): CB 30.850 30.850 30.722 0.128 RESID 34 (R): H 8.433 8.433 7.832 0.601 RESID 35 (G): N 108.900 108.900 103.764 5.136 RESID 35 (G): C 171.200 171.200 173.492 -2.292 RESID 35 (G): CA 45.060 45.060 45.577 -0.517 RESID 35 (G): H 7.837 7.837 8.618 -0.781 RESID 36 (T): N 116.300 116.300 115.881 0.419 RESID 36 (T): C 173.800 173.800 172.830 0.970 RESID 36 (T): CA 62.670 62.670 62.599 0.071 RESID 36 (T): CB 70.000 70.000 70.184 -0.184 RESID 36 (T): H 8.192 8.192 7.650 0.542 RESID 37 (H): N 125.800 125.800 125.347 0.453 RESID 37 (H): C 174.000 174.000 173.264 0.736 RESID 37 (H): CA 54.060 54.060 55.408 -1.349 RESID 37 (H): CB 31.020 31.020 33.050 -2.030 RESID 37 (H): H 8.986 8.986 8.626 0.360 RESID 38 (T): N 121.500 121.500 117.892 3.608 RESID 38 (T): C 174.200 174.200 172.945 1.255 RESID 38 (T): CA 63.190 63.190 61.149 2.041 RESID 38 (T): CB 70.080 70.080 71.313 -1.233 RESID 38 (T): H 9.101 9.101 7.718 1.383 RESID 39 (L): N 129.600 129.600 122.467 7.133 RESID 39 (L): C 176.900 176.900 176.865 0.035 RESID 39 (L): CA 53.990 53.990 53.480 0.510 RESID 39 (L): CB 43.160 43.160 44.094 -0.934 RESID 39 (L): H 9.145 9.145 8.739 0.406 RESID 40 (E): N 124.300 124.300 125.940 -1.640 RESID 40 (E): C 175.600 175.600 175.927 -0.327 RESID 40 (E): CA 59.420 59.420 59.123 0.297 RESID 40 (E): CB 30.710 30.710 30.222 0.488 RESID 40 (E): H 9.164 9.164 9.046 0.118 RESID 41 (S): N 108.300 108.300 110.075 -1.775 RESID 41 (S): C 171.700 171.700 173.168 -1.468 RESID 41 (S): CA 56.270 56.270 57.147 -0.877 RESID 41 (S): CB 65.420 65.420 64.830 0.590 RESID 41 (S): H 7.326 7.326 7.486 -0.160 RESID 42 (Q): N 123.900 123.900 120.625 3.275 RESID 42 (Q): C 174.600 174.600 174.747 -0.147 RESID 42 (Q): CA 53.730 53.730 55.778 -2.048 RESID 42 (Q): CB 28.470 28.470 27.903 0.567 RESID 42 (Q): H 7.339 7.339 8.612 -1.273 RESID 43 (P): C 176.300 176.300 176.652 -0.352 RESID 43 (P): CA 64.080 64.080 63.359 0.721 RESID 43 (P): CB 32.510 32.510 32.423 0.087 RESID 44 (Q): N 125.100 125.100 122.523 2.577 RESID 44 (Q): C 175.400 175.400 176.013 -0.613 RESID 44 (Q): CA 55.780 55.780 57.227 -1.447 RESID 44 (Q): CB 32.660 32.660 29.791 2.869 RESID 44 (Q): H 11.160 11.160 8.549 2.611 RESID 45 (R): N 125.700 125.700 117.529 8.171 RESID 45 (R): C 174.600 174.600 174.093 0.507 RESID 45 (R): CA 55.310 55.310 55.256 0.054 RESID 45 (R): CB 33.070 33.070 33.050 0.020 RESID 45 (R): H 10.010 10.010 7.564 2.446 RESID 47 (V): C 174.700 174.700 174.439 0.261 RESID 47 (V): CA 60.970 60.970 61.229 -0.259 RESID 47 (V): CB 34.140 34.140 34.426 -0.286 RESID 48 (S): N 118.300 118.300 120.253 -1.953 RESID 48 (S): C 175.500 175.500 173.804 1.696 RESID 48 (S): CA 55.700 55.700 57.747 -2.047 RESID 48 (S): CB 64.750 64.750 66.426 -1.676 RESID 48 (S): H 7.852 7.852 8.593 -0.741 RESID 49 (T): N 116.800 116.800 112.565 4.235 RESID 49 (T): C 171.500 171.500 174.495 -2.995 RESID 49 (T): CA 62.400 62.400 61.440 0.961 RESID 49 (T): CB 69.320 69.320 69.757 -0.437 RESID 49 (T): H 8.283 8.283 8.597 -0.314 RESID 50 (S): N 116.200 116.200 116.571 -0.371 RESID 50 (S): C 174.600 174.600 175.223 -0.623 RESID 50 (S): CA 54.640 54.640 56.621 -1.982 RESID 50 (S): CB 64.000 64.000 64.120 -0.120 RESID 50 (S): H 7.627 7.627 7.733 -0.106 RESID 51 (V): N 134.300 134.300 129.372 4.928 RESID 51 (V): C 175.100 175.100 177.905 -2.805 RESID 51 (V): CA 65.620 65.620 65.940 -0.320 RESID 51 (V): CB 31.790 31.790 31.910 -0.120 RESID 51 (V): H 9.218 9.218 9.064 0.154 RESID 52 (T): N 117.000 117.000 116.436 0.564 RESID 52 (T): C 179.700 179.700 176.490 3.210 RESID 52 (T): CA 67.390 67.390 66.521 0.869 RESID 52 (T): CB 69.130 69.130 68.870 0.260 RESID 52 (T): H 7.841 7.841 7.976 -0.135 RESID 53 (L): N 123.400 123.400 122.280 1.120 RESID 53 (L): C 178.700 178.700 178.263 0.437 RESID 53 (L): CA 57.460 57.460 58.158 -0.698 RESID 53 (L): CB 42.610 42.610 41.786 0.824 RESID 53 (L): H 8.092 8.092 8.591 -0.499 RESID 54 (T): N 117.500 117.500 115.738 1.762 RESID 54 (T): C 174.900 174.900 176.641 -1.741 RESID 54 (T): CA 67.070 67.070 67.737 -0.667 RESID 54 (T): H 8.039 8.039 8.133 -0.094 RESID 55 (G): N 105.500 105.500 109.186 -3.686 RESID 55 (G): C 175.600 175.600 175.772 -0.172 RESID 55 (G): CA 47.260 47.260 46.951 0.309 RESID 55 (G): H 6.591 6.591 7.867 -1.276 RESID 56 (S): N 117.000 117.000 117.791 -0.791 RESID 56 (S): C 175.600 175.600 176.755 -1.155 RESID 56 (S): CA 63.400 63.400 61.446 1.954 RESID 56 (S): CB 65.060 65.060 63.085 1.975 RESID 56 (S): H 6.709 6.709 7.953 -1.244 RESID 58 (L): C 181.200 181.200 179.417 1.783 RESID 58 (L): CA 57.480 57.480 57.761 -0.281 RESID 58 (L): CB 40.810 40.810 40.913 -0.103 RESID 59 (A): N 122.100 122.100 122.861 -0.761 RESID 59 (A): C 178.500 178.500 178.811 -0.311 RESID 59 (A): CA 55.540 55.540 54.799 0.741 RESID 59 (A): CB 18.440 18.440 18.754 -0.314 RESID 59 (A): H 7.797 7.797 8.126 -0.329 RESID 60 (I): C 172.700 172.700 174.240 -1.540 RESID 60 (I): CA 60.390 60.390 60.238 0.152 RESID 60 (I): CB 37.930 37.930 37.469 0.461 RESID 61 (D): N 116.200 116.200 118.527 -2.327 RESID 61 (D): C 174.800 174.800 174.551 0.249 RESID 61 (D): CA 55.850 55.850 55.806 0.044 RESID 61 (D): CB 38.930 38.930 38.968 -0.038 RESID 61 (D): H 7.736 7.736 7.736 -0.000 RESID 62 (A): N 118.900 118.900 121.913 -3.013 RESID 62 (A): C 176.800 176.800 174.122 2.678 RESID 62 (A): CA 50.040 50.040 50.893 -0.853 RESID 62 (A): CB 17.940 17.940 19.558 -1.618 RESID 62 (A): H 7.820 7.820 7.734 0.086 RESID 63 (P): C 173.600 173.600 175.715 -2.115 RESID 63 (P): CA 63.250 63.250 62.655 0.595 RESID 63 (P): CB 27.640 27.640 32.340 -4.700 RESID 64 (V): N 123.100 123.100 119.155 3.945 RESID 64 (V): C 174.800 174.800 175.731 -0.931 RESID 64 (V): CA 58.420 58.420 59.870 -1.450 RESID 64 (V): CB 33.300 33.300 34.118 -0.818 RESID 64 (V): H 8.299 8.299 7.865 0.434 RESID 65 (I): N 122.000 122.000 126.286 -4.286 RESID 65 (I): C 177.100 177.100 175.556 1.544 RESID 65 (I): CA 61.010 61.010 64.031 -3.021 RESID 65 (I): CB 39.480 39.480 38.210 1.270 RESID 65 (I): H 8.589 8.589 8.412 0.177 RESID 66 (A): N 120.700 120.700 116.391 4.309 RESID 66 (A): C 175.100 175.100 175.171 -0.071 RESID 66 (A): CA 51.300 51.300 50.666 0.634 RESID 66 (A): CB 22.980 22.980 21.509 1.471 RESID 66 (A): H 7.246 7.246 7.666 -0.420 RESID 67 (S): N 111.700 111.700 116.721 -5.021 RESID 67 (S): C 176.500 176.500 174.259 2.241 RESID 67 (S): CA 55.230 55.230 57.322 -2.092 RESID 67 (S): CB 65.300 65.300 67.720 -2.420 RESID 67 (S): H 8.561 8.561 8.309 0.252 RESID 68 (G): N 112.900 112.900 107.268 5.632 RESID 68 (G): C 171.000 171.000 172.621 -1.621 RESID 68 (G): CA 46.580 46.580 44.538 2.042 RESID 68 (G): H 7.604 7.604 8.660 -1.056 RESID 69 (A): N 122.300 122.300 125.993 -3.693 RESID 69 (A): C 177.900 177.900 175.184 2.716 RESID 69 (A): CA 51.280 51.280 52.441 -1.161 RESID 69 (A): CB 23.440 23.440 21.363 2.077 RESID 69 (A): H 7.402 7.402 8.211 -0.809 RESID 70 (T): N 119.600 119.600 113.901 5.699 RESID 70 (T): C 171.400 171.400 174.118 -2.718 RESID 70 (T): CA 58.150 58.150 61.293 -3.143 RESID 70 (T): CB 70.880 70.880 69.888 0.992 RESID 70 (T): H 9.171 9.171 8.093 1.078 RESID 71 (T): N 116.500 116.500 121.653 -5.153 RESID 71 (T): C 172.500 172.500 172.912 -0.412 RESID 71 (T): CA 61.680 61.680 61.633 0.047 RESID 71 (T): CB 70.490 70.490 68.952 1.538 RESID 71 (T): H 7.663 7.663 8.466 -0.803 RESID 72 (P): C 177.100 177.100 176.118 0.982 RESID 72 (P): CA 63.390 63.390 63.585 -0.195 RESID 72 (P): CB 32.940 32.940 32.206 0.733 RESID 73 (N): N 115.200 115.200 119.852 -4.652 RESID 73 (N): C 174.600 174.600 176.213 -1.613 RESID 73 (N): CA 54.570 54.570 53.827 0.743 RESID 73 (N): CB 37.020 37.020 38.475 -1.455 RESID 73 (N): H 7.990 7.990 8.697 -0.707 RESID 74 (N): C 175.800 175.800 176.918 -1.118 RESID 74 (N): CA 60.660 60.660 55.629 5.031 RESID 74 (N): CB 38.070 38.070 37.718 0.352 RESID 75 (R): N 114.600 114.600 120.869 -6.269 RESID 75 (R): C 177.400 177.400 177.553 -0.153 RESID 75 (R): CA 59.940 59.940 58.841 1.099 RESID 75 (R): CB 31.110 31.110 30.072 1.038 RESID 75 (R): H 8.049 8.049 8.327 -0.278 RESID 76 (V): N 107.100 107.100 117.463 -10.363 RESID 76 (V): C 176.000 176.000 175.930 0.070 RESID 76 (V): CA 61.110 61.110 64.032 -2.922 RESID 76 (V): CB 33.590 33.590 31.563 2.027 RESID 76 (V): H 7.356 7.356 8.187 -0.831 RESID 77 (A): N 126.900 126.900 120.967 5.933 RESID 77 (A): C 176.500 176.500 177.606 -1.106 RESID 77 (A): CA 51.390 51.390 52.443 -1.053 RESID 77 (A): CB 24.260 24.260 19.155 5.105 RESID 77 (A): H 7.873 7.873 7.151 0.722 RESID 78 (D): N 118.700 118.700 116.938 1.762 RESID 78 (D): C 178.100 178.100 175.896 2.204 RESID 78 (D): CA 51.970 51.970 52.908 -0.938 RESID 78 (D): CB 41.360 41.360 40.992 0.368 RESID 78 (D): H 8.607 8.607 8.178 0.429 RESID 79 (D): N 116.600 116.600 115.752 0.848 RESID 79 (D): C 176.400 176.400 176.116 0.284 RESID 79 (D): CA 56.030 56.030 54.937 1.093 RESID 79 (D): CB 40.100 40.100 39.211 0.889 RESID 79 (D): H 8.258 8.258 8.408 -0.150 RESID 80 (Q): N 117.200 117.200 121.564 -4.364 RESID 80 (Q): C 175.700 175.700 176.882 -1.182 RESID 80 (Q): CA 54.970 54.970 56.494 -1.524 RESID 80 (Q): CB 30.840 30.840 28.420 2.420 RESID 80 (Q): H 8.160 8.160 8.342 -0.182 RESID 81 (G): N 105.300 105.300 105.287 0.013 RESID 81 (G): C 174.200 174.200 173.339 0.861 RESID 81 (G): CA 45.740 45.740 44.791 0.949 RESID 81 (G): H 7.419 7.419 8.063 -0.644 RESID 82 (F): N 121.700 121.700 121.076 0.624 RESID 82 (F): C 175.300 175.300 175.729 -0.429 RESID 82 (F): CA 52.530 52.530 56.779 -4.248 RESID 82 (F): CB 37.430 37.430 40.064 -2.634 RESID 82 (F): H 8.154 8.154 7.845 0.309 RESID 83 (L): C 178.400 178.400 177.436 0.964 RESID 83 (L): CA 55.550 55.550 55.188 0.362 RESID 83 (L): CB 38.480 38.480 41.957 -3.477 RESID 84 (R): N 119.000 119.000 118.695 0.305 RESID 84 (R): C 178.300 178.300 177.543 0.757 RESID 84 (R): CA 60.690 60.690 57.249 3.441 RESID 84 (R): CB 31.530 31.530 29.886 1.644 RESID 84 (R): H 7.746 7.746 8.434 -0.688 RESID 85 (Q): N 116.400 116.400 119.006 -2.606 RESID 85 (Q): C 174.700 174.700 177.393 -2.693 RESID 85 (Q): CA 58.200 58.200 57.991 0.209 RESID 85 (Q): CB 26.140 26.140 29.294 -3.154 RESID 85 (Q): H 9.838 9.838 7.969 1.869 RESID 86 (W): N 115.600 115.600 121.988 -6.388 RESID 86 (W): C 175.900 175.900 177.766 -1.866 RESID 86 (W): CA 55.320 55.320 60.443 -5.123 RESID 86 (W): CB 27.470 27.470 29.611 -2.141 RESID 86 (W): H 6.600 6.600 8.557 -1.957 RESID 87 (S): N 118.500 118.500 114.558 3.942 RESID 87 (S): C 177.300 177.300 175.848 1.452 RESID 87 (S): CA 62.340 62.340 61.850 0.490 RESID 87 (S): H 7.067 7.067 8.347 -1.280 RESID 88 (K): N 118.300 118.300 122.222 -3.922 RESID 88 (K): C 179.000 179.000 178.822 0.178 RESID 88 (K): CA 59.970 59.970 59.507 0.464 RESID 88 (K): CB 32.380 32.380 32.474 -0.093 RESID 88 (K): H 8.615 8.615 7.648 0.967 RESID 89 (V): N 120.600 120.600 114.278 6.322 RESID 89 (V): C 178.100 178.100 177.307 0.793 RESID 89 (V): CA 65.530 65.530 65.446 0.084 RESID 89 (V): CB 32.180 32.180 31.669 0.510 RESID 89 (V): H 7.089 7.089 7.748 -0.659 RESID 90 (A): N 120.700 120.700 121.117 -0.417 RESID 90 (A): C 180.000 180.000 178.938 1.062 RESID 90 (A): CA 55.490 55.490 54.149 1.341 RESID 90 (A): CB 19.130 19.130 17.809 1.321 RESID 90 (A): H 7.979 7.979 7.328 0.651 RESID 91 (K): N 117.600 117.600 118.071 -0.471 RESID 91 (K): C 180.900 180.900 177.890 3.010 RESID 91 (K): CA 59.830 59.830 58.849 0.981 RESID 91 (K): CB 32.700 32.700 32.708 -0.008 RESID 91 (K): H 7.844 7.844 8.118 -0.274 RESID 92 (E): N 122.300 122.300 117.220 5.080 RESID 92 (E): C 178.600 178.600 177.106 1.494 RESID 92 (E): CA 59.590 59.590 57.319 2.271 RESID 92 (E): CB 29.740 29.740 30.417 -0.677 RESID 92 (E): H 8.178 8.178 7.711 0.467 RESID 93 (R): N 115.300 115.300 118.426 -3.126 RESID 93 (R): C 175.000 175.000 174.662 0.338 RESID 93 (R): CA 56.320 56.320 55.527 0.793 RESID 93 (R): CB 29.390 29.390 30.923 -1.533 RESID 93 (R): H 7.776 7.776 8.054 -0.278 RESID 94 (K): N 116.800 116.800 115.015 1.785 RESID 94 (K): C 176.400 176.400 175.724 0.676 RESID 94 (K): CA 56.950 56.950 57.593 -0.643 RESID 94 (K): CB 28.870 28.870 30.276 -1.406 RESID 94 (K): H 7.697 7.697 8.401 -0.704 RESID 95 (L): N 120.600 120.600 121.642 -1.042 RESID 95 (L): C 177.200 177.200 176.889 0.311 RESID 95 (L): CA 56.710 56.710 55.992 0.718 RESID 95 (L): CB 43.480 43.480 42.434 1.046 RESID 95 (L): H 7.708 7.708 7.624 0.084 RESID 96 (Q): N 124.900 124.900 124.441 0.459 RESID 96 (Q): C 175.000 175.000 175.962 -0.962 RESID 96 (Q): CA 55.570 55.570 54.930 0.640 RESID 96 (Q): CB 30.080 30.080 29.749 0.331 RESID 96 (Q): H 7.526 7.526 8.395 -0.869 RESID 97 (R): N 126.000 126.000 119.535 6.465 RESID 97 (R): C 176.800 176.800 176.215 0.585 RESID 97 (R): CA 55.610 55.610 56.666 -1.056 RESID 97 (R): CB 31.840 31.840 30.219 1.621 RESID 97 (R): H 9.039 9.039 8.537 0.502 RESID 98 (L): N 126.500 126.500 122.968 3.532 RESID 98 (L): C 175.400 175.400 175.790 -0.390 RESID 98 (L): CA 56.610 56.610 54.133 2.477 RESID 98 (L): CB 47.140 47.140 43.845 3.295 RESID 98 (L): H 8.247 8.247 8.662 -0.415 RESID 99 (Y): N 110.000 110.000 112.067 -2.067 RESID 99 (Y): C 173.200 173.200 174.579 -1.379 RESID 99 (Y): CA 55.320 55.320 56.141 -0.821 RESID 99 (Y): CB 38.350 38.350 39.363 -1.013 RESID 99 (Y): H 6.465 6.465 7.819 -1.354 RESID 100 (I): N 120.000 120.000 126.191 -6.191 RESID 100 (I): C 176.800 176.800 177.145 -0.345 RESID 100 (I): CA 61.290 61.290 63.090 -1.800 RESID 100 (I): CB 39.980 39.980 36.417 3.563 RESID 100 (I): H 8.725 8.725 8.621 0.104 RESID 101 (G): N 114.800 114.800 113.904 0.896 RESID 101 (G): C 173.400 173.400 174.107 -0.707 RESID 101 (G): CA 47.030 47.030 44.824 2.206 RESID 101 (G): H 8.224 8.224 8.485 -0.261 RESID 102 (E): N 129.600 129.600 118.681 10.919 RESID 102 (E): C 173.700 173.700 174.484 -0.784 RESID 102 (E): CA 54.480 54.480 54.001 0.479 RESID 102 (E): CB 29.790 29.790 27.761 2.029 RESID 102 (E): H 8.294 8.294 8.008 0.286 RESID 103 (P): C 175.400 175.400 176.232 -0.832 RESID 103 (P): CA 62.040 62.040 63.413 -1.373 RESID 103 (P): CB 32.570 32.570 32.652 -0.082 RESID 104 (S): N 111.900 111.900 117.133 -5.233 RESID 104 (S): C 174.800 174.800 174.661 0.139 RESID 104 (S): CA 55.340 55.340 58.490 -3.150 RESID 104 (S): CB 64.330 64.330 64.381 -0.051 RESID 104 (S): H 5.412 5.412 7.966 -2.554 RESID 105 (A): N 130.200 130.200 129.974 0.226 RESID 105 (A): C 179.400 179.400 179.059 0.341 RESID 105 (A): CA 55.070 55.070 54.331 0.738 RESID 105 (A): CB 18.210 18.210 19.112 -0.902 RESID 105 (A): H 9.211 9.211 8.878 0.333 RESID 106 (E): N 119.800 119.800 119.416 0.384 RESID 106 (E): C 179.300 179.300 178.857 0.443 RESID 106 (E): CA 60.270 60.270 59.023 1.246 RESID 106 (E): CB 28.990 28.990 29.464 -0.474 RESID 106 (E): H 8.731 8.731 8.592 0.139 RESID 107 (A): N 121.600 121.600 122.101 -0.501 RESID 107 (A): C 180.100 180.100 179.742 0.358 RESID 107 (A): CA 54.650 54.650 54.929 -0.279 RESID 107 (A): CB 19.220 19.220 18.437 0.783 RESID 107 (A): H 7.682 7.682 7.809 -0.127 RESID 108 (V): N 116.600 116.600 118.559 -1.959 RESID 108 (V): C 177.700 177.700 178.504 -0.804 RESID 108 (V): CA 66.920 66.920 65.953 0.967 RESID 108 (V): CB 31.430 31.430 31.731 -0.301 RESID 108 (V): H 7.015 7.015 7.517 -0.502 RESID 109 (A): N 121.400 121.400 122.854 -1.454 RESID 109 (A): C 181.100 181.100 179.252 1.848 RESID 109 (A): CA 55.540 55.540 54.930 0.610 RESID 109 (A): CB 17.900 17.900 18.043 -0.143 RESID 109 (A): H 8.262 8.262 8.119 0.143 RESID 110 (A): N 118.800 118.800 119.521 -0.721 RESID 110 (A): C 178.900 178.900 178.637 0.263 RESID 110 (A): CA 54.300 54.300 54.546 -0.246 RESID 110 (A): CB 18.460 18.460 18.490 -0.030 RESID 110 (A): H 7.607 7.607 7.920 -0.313 RESID 111 (Q): N 113.500 113.500 114.535 -1.035 RESID 111 (Q): C 174.900 174.900 175.939 -1.039 RESID 111 (Q): CA 55.160 55.160 54.236 0.924 RESID 111 (Q): CB 28.450 28.450 28.668 -0.218 RESID 111 (Q): H 7.148 7.148 7.445 -0.297 RESID 112 (M): N 114.700 114.700 120.920 -6.220 RESID 112 (M): C 173.300 173.300 173.240 0.060 RESID 112 (M): CA 55.900 55.900 55.539 0.361 RESID 112 (M): CB 30.300 30.300 31.757 -1.457 RESID 112 (M): H 7.882 7.882 7.943 -0.061 RESID 113 (P): C 176.700 176.700 176.257 0.443 RESID 113 (P): CA 62.820 62.820 62.600 0.220 RESID 113 (P): CB 33.340 33.340 33.020 0.320 RESID 114 (D): N 115.800 115.800 117.918 -2.118 RESID 114 (D): C 175.900 175.900 175.913 -0.013 RESID 114 (D): CA 53.150 53.150 55.163 -2.013 RESID 114 (D): CB 40.990 40.990 43.041 -2.051 RESID 114 (D): H 8.850 8.850 8.224 0.626 RESID 115 (L): C 174.900 174.900 174.302 0.598 RESID 115 (L): CA 52.800 52.800 54.121 -1.321 RESID 116 (I): N 123.500 123.500 126.213 -2.713 RESID 116 (I): CA 60.270 60.270 60.090 0.180 RESID 116 (I): H 9.340 9.340 8.040 1.300 RESID 118 (I): C 174.400 174.400 175.450 -1.050 RESID 118 (I): CA 60.250 60.250 59.776 0.474 RESID 118 (I): CB 42.610 42.610 41.432 1.177 RESID 119 (S): N 121.600 121.600 121.701 -0.101 RESID 119 (S): C 175.700 175.700 175.160 0.540 RESID 119 (S): CA 57.150 57.150 57.712 -0.561 RESID 119 (S): CB 65.280 65.280 64.610 0.670 RESID 119 (S): H 9.575 9.575 8.557 1.018 RESID 120 (A): N 126.000 126.000 124.383 1.617 RESID 120 (A): C 176.900 176.900 177.426 -0.526 RESID 120 (A): CA 54.300 54.300 54.344 -0.044 RESID 120 (A): CB 20.530 20.530 18.956 1.574 RESID 120 (A): H 8.143 8.143 8.727 -0.584 RESID 121 (T): N 106.400 106.400 110.441 -4.041 RESID 121 (T): C 173.000 173.000 173.117 -0.117 RESID 121 (T): CA 59.450 59.450 61.907 -2.457 RESID 121 (T): CB 72.310 72.310 70.706 1.604 RESID 121 (T): H 7.617 7.617 7.842 -0.225 RESID 122 (G): N 104.200 104.200 110.768 -6.568 RESID 122 (G): C 177.200 177.200 174.138 3.062 RESID 122 (G): CA 44.430 44.430 45.188 -0.758 RESID 122 (G): H 7.998 7.998 7.839 0.159 RESID 123 (G): C 174.100 174.100 174.319 -0.219 RESID 123 (G): CA 46.710 46.710 45.691 1.020 RESID 124 (D): N 116.900 116.900 119.125 -2.225 RESID 124 (D): C 176.900 176.900 175.739 1.161 RESID 124 (D): CA 52.320 52.320 52.884 -0.564 RESID 124 (D): CB 40.690 40.690 40.621 0.069 RESID 124 (D): H 8.617 8.617 7.723 0.894 RESID 125 (S): N 115.100 115.100 119.155 -4.055 RESID 125 (S): C 176.900 176.900 175.156 1.744 RESID 125 (S): CA 58.750 58.750 58.663 0.087 RESID 125 (S): CB 64.190 64.190 64.082 0.108 RESID 125 (S): H 7.322 7.322 8.433 -1.111 RESID 126 (A): N 134.900 134.900 129.991 4.909 RESID 126 (A): C 176.700 176.700 178.674 -1.974 RESID 126 (A): CA 51.150 51.150 53.527 -2.377 RESID 126 (A): CB 16.850 16.850 19.084 -2.234 RESID 126 (A): H 8.837 8.837 8.612 0.225 RESID 127 (L): N 121.000 121.000 121.026 -0.026 RESID 127 (L): C 178.900 178.900 178.352 0.548 RESID 127 (L): CA 58.730 58.730 57.261 1.469 RESID 127 (L): CB 42.840 42.840 41.614 1.226 RESID 127 (L): H 7.353 7.353 8.147 -0.794 RESID 128 (A): N 121.600 121.600 118.149 3.451 RESID 128 (A): C 178.900 178.900 178.116 0.784 RESID 128 (A): CA 55.010 55.010 54.174 0.836 RESID 128 (A): CB 18.200 18.200 18.703 -0.503 RESID 128 (A): H 8.918 8.918 7.627 1.291 RESID 129 (L): N 116.800 116.800 116.067 0.733 RESID 129 (L): C 177.000 177.000 177.853 -0.853 RESID 129 (L): CA 53.930 53.930 55.192 -1.262 RESID 129 (L): CB 42.710 42.710 43.133 -0.423 RESID 129 (L): H 7.776 7.776 7.424 0.352 RESID 130 (Y): N 122.000 122.000 122.857 -0.857 RESID 130 (Y): C 177.100 177.100 176.707 0.393 RESID 130 (Y): CA 64.420 64.420 62.995 1.425 RESID 130 (Y): CB 39.470 39.470 38.420 1.050 RESID 130 (Y): H 7.891 7.891 8.981 -1.090 RESID 131 (D): N 119.000 119.000 117.813 1.187 RESID 131 (D): C 178.300 178.300 178.423 -0.123 RESID 131 (D): CA 58.040 58.040 57.460 0.580 RESID 131 (D): CB 39.660 39.660 39.364 0.296 RESID 131 (D): H 9.014 9.014 8.105 0.909 RESID 132 (Q): N 118.900 118.900 119.953 -1.053 RESID 132 (Q): C 179.100 179.100 178.897 0.203 RESID 132 (Q): CA 58.930 58.930 58.600 0.330 RESID 132 (Q): CB 29.320 29.320 28.765 0.555 RESID 132 (Q): H 7.814 7.814 7.992 -0.178 RESID 133 (L): N 119.700 119.700 120.173 -0.473 RESID 133 (L): C 177.900 177.900 178.597 -0.697 RESID 133 (L): CA 57.910 57.910 57.674 0.236 RESID 133 (L): CB 40.980 40.980 41.795 -0.815 RESID 133 (L): H 8.450 8.450 8.817 -0.367 RESID 134 (S): N 111.800 111.800 114.882 -3.082 RESID 134 (S): C 175.500 175.500 175.874 -0.374 RESID 134 (S): CA 61.160 61.160 60.970 0.190 RESID 134 (S): CB 63.450 63.450 62.703 0.747 RESID 134 (S): H 8.128 8.128 8.470 -0.342 RESID 135 (T): N 111.100 111.100 116.005 -4.905 RESID 135 (T): C 175.300 175.300 176.602 -1.302 RESID 135 (T): CA 63.230 63.230 65.297 -2.067 RESID 135 (T): CB 69.670 69.670 69.011 0.659 RESID 135 (T): H 6.953 6.953 7.557 -0.604 RESID 136 (I): N 124.400 124.400 120.490 3.910 RESID 136 (I): C 175.800 175.800 175.579 0.221 RESID 136 (I): CA 63.940 63.940 64.037 -0.097 RESID 136 (I): CB 38.870 38.870 38.579 0.291 RESID 136 (I): H 7.694 7.694 7.357 0.337 RESID 137 (A): N 120.500 120.500 118.648 1.852 RESID 137 (A): C 172.300 172.300 173.987 -1.687 RESID 137 (A): CA 50.470 50.470 50.578 -0.108 RESID 137 (A): CB 19.320 19.320 19.484 -0.164 RESID 137 (A): H 7.540 7.540 7.980 -0.440 RESID 138 (P): C 174.700 174.700 176.194 -1.494 RESID 138 (P): CA 64.700 64.700 63.627 1.073 RESID 138 (P): CB 31.610 31.610 31.526 0.085 RESID 139 (T): N 122.000 122.000 119.817 2.183 RESID 139 (T): C 173.900 173.900 173.933 -0.033 RESID 139 (T): CA 61.630 61.630 63.179 -1.549 RESID 139 (T): CB 71.540 71.540 69.702 1.838 RESID 139 (T): H 7.990 7.990 8.167 -0.177 RESID 140 (L): C 174.900 174.900 174.424 0.476 RESID 140 (L): CA 52.740 52.740 53.432 -0.692 RESID 140 (L): CB 46.680 46.680 46.268 0.412 RESID 141 (I): N 123.500 123.500 125.512 -2.012 RESID 141 (I): C 175.700 175.700 174.785 0.915 RESID 141 (I): CA 60.250 60.250 61.075 -0.825 RESID 141 (I): CB 39.590 39.590 38.742 0.848 RESID 141 (I): H 9.345 9.345 7.959 1.386 RESID 142 (I): N 129.000 129.000 126.809 2.191 RESID 142 (I): C 174.400 174.400 173.984 0.416 RESID 142 (I): CA 57.930 57.930 59.875 -1.945 RESID 142 (I): CB 39.690 39.690 42.230 -2.540 RESID 142 (I): H 9.030 9.030 9.015 0.015 RESID 143 (N): N 129.100 129.100 124.207 4.893 RESID 143 (N): C 174.700 174.700 174.235 0.465 RESID 143 (N): CA 51.390 51.390 53.395 -2.005 RESID 143 (N): CB 39.720 39.720 39.574 0.146 RESID 143 (N): H 9.388 9.388 8.689 0.699 RESID 144 (Y): N 119.900 119.900 126.011 -6.111 RESID 144 (Y): C 176.500 176.500 174.789 1.711 RESID 144 (Y): CA 55.820 55.820 59.511 -3.691 RESID 144 (Y): CB 39.120 39.120 39.252 -0.132 RESID 144 (Y): H 8.491 8.491 8.431 0.060 RESID 145 (D): N 125.200 125.200 124.447 0.753 RESID 145 (D): C 176.800 176.800 175.029 1.771 RESID 145 (D): CA 55.220 55.220 55.425 -0.204 RESID 145 (D): CB 43.120 43.120 39.760 3.360 RESID 145 (D): H 8.800 8.800 8.362 0.438 RESID 146 (D): N 119.100 119.100 114.970 4.130 RESID 146 (D): C 175.200 175.200 175.278 -0.078 RESID 146 (D): CA 53.230 53.230 53.621 -0.391 RESID 146 (D): CB 40.760 40.760 42.448 -1.688 RESID 146 (D): H 7.571 7.571 8.615 -1.044 RESID 147 (K): N 114.100 114.100 119.857 -5.757 RESID 147 (K): C 175.000 175.000 175.275 -0.275 RESID 147 (K): CA 54.070 54.070 55.609 -1.539 RESID 147 (K): CB 33.340 33.340 35.106 -1.766 RESID 147 (K): H 7.018 7.018 7.568 -0.550 RESID 148 (S): N 118.300 118.300 118.805 -0.505 RESID 148 (S): C 175.700 175.700 176.092 -0.392 RESID 148 (S): CA 57.120 57.120 57.196 -0.076 RESID 148 (S): CB 64.970 64.970 64.234 0.736 RESID 148 (S): H 8.709 8.709 8.487 0.222 RESID 149 (W): N 121.700 121.700 119.978 1.722 RESID 149 (W): C 179.300 179.300 177.213 2.087 RESID 149 (W): CA 59.890 59.890 58.546 1.344 RESID 149 (W): CB 27.660 27.660 28.370 -0.711 RESID 149 (W): H 8.779 8.779 8.915 -0.136 RESID 150 (Q): N 124.600 124.600 121.375 3.225 RESID 150 (Q): C 178.100 178.100 177.820 0.280 RESID 150 (Q): CA 61.660 61.660 58.276 3.384 RESID 150 (Q): CB 26.550 26.550 27.758 -1.208 RESID 150 (Q): H 8.369 8.369 6.764 1.605 RESID 151 (S): N 117.500 117.500 116.391 1.109 RESID 151 (S): C 177.500 177.500 176.908 0.592 RESID 151 (S): CA 61.760 61.760 61.214 0.546 RESID 151 (S): CB 63.360 63.360 62.699 0.661 RESID 151 (S): H 7.769 7.769 7.700 0.069 RESID 152 (L): N 125.200 125.200 122.680 2.520 RESID 152 (L): C 178.700 178.700 178.151 0.549 RESID 152 (L): CA 58.320 58.320 57.929 0.390 RESID 152 (L): CB 41.980 41.980 41.699 0.281 RESID 152 (L): H 8.460 8.460 8.385 0.075 RESID 153 (L): N 119.200 119.200 118.620 0.580 RESID 153 (L): C 179.700 179.700 178.657 1.043 RESID 153 (L): CA 58.960 58.960 57.528 1.432 RESID 153 (L): CB 41.270 41.270 41.373 -0.103 RESID 153 (L): H 8.562 8.562 7.611 0.951 RESID 154 (T): N 116.300 116.300 112.760 3.540 RESID 154 (T): C 177.200 177.200 176.898 0.302 RESID 154 (T): CA 67.290 67.290 65.958 1.332 RESID 154 (T): CB 68.640 68.640 68.107 0.533 RESID 154 (T): H 8.004 8.004 7.861 0.143 RESID 155 (Q): N 124.500 124.500 120.981 3.519 RESID 155 (Q): C 179.200 179.200 177.986 1.214 RESID 155 (Q): CA 59.710 59.710 58.326 1.384 RESID 155 (Q): CB 28.620 28.620 28.352 0.268 RESID 155 (Q): H 8.230 8.230 7.906 0.324 RESID 156 (L): C 180.900 180.900 179.259 1.641 RESID 156 (L): CA 57.540 57.540 56.915 0.625 RESID 156 (L): CB 41.710 41.710 41.842 -0.132 RESID 157 (G): N 112.800 112.800 107.000 5.800 RESID 157 (G): C 174.500 174.500 175.075 -0.575 RESID 157 (G): CA 48.300 48.300 46.510 1.790 RESID 157 (G): H 9.216 9.216 7.990 1.226 RESID 158 (E): N 123.500 123.500 118.654 4.846 RESID 158 (E): C 177.800 177.800 177.134 0.666 RESID 158 (E): CA 59.120 59.120 57.843 1.277 RESID 158 (E): CB 29.700 29.700 29.378 0.322 RESID 158 (E): H 7.480 7.480 7.457 0.023 RESID 160 (T): C 178.300 178.300 175.991 2.309 RESID 160 (T): CA 61.930 61.930 63.151 -1.220 RESID 160 (T): CB 71.830 71.830 69.182 2.648 RESID 161 (G): N 113.600 113.600 113.875 -0.275 RESID 161 (G): C 174.600 174.600 174.148 0.452 RESID 161 (G): CA 48.130 48.130 46.889 1.241 RESID 161 (G): H 8.114 8.114 8.995 -0.881 RESID 162 (H): N 121.000 121.000 116.045 4.955 RESID 162 (H): C 174.000 174.000 176.168 -2.168 RESID 162 (H): CA 55.370 55.370 55.876 -0.506 RESID 162 (H): CB 28.280 28.280 31.280 -3.000 RESID 162 (H): H 8.506 8.506 7.838 0.668 RESID 163 (E): N 123.900 123.900 122.117 1.783 RESID 163 (E): C 180.800 180.800 178.462 2.338 RESID 163 (E): CA 61.160 61.160 59.706 1.454 RESID 163 (E): CB 28.720 28.720 29.164 -0.444 RESID 163 (E): H 10.300 10.300 8.755 1.545 RESID 164 (K): N 120.600 120.600 120.400 0.200 RESID 164 (K): C 178.700 178.700 178.788 -0.088 RESID 164 (K): CA 59.590 59.590 60.062 -0.471 RESID 164 (K): CB 32.280 32.280 31.972 0.308 RESID 164 (K): H 8.789 8.789 8.395 0.394 RESID 165 (Q): N 119.500 119.500 117.287 2.213 RESID 165 (Q): C 178.800 178.800 178.131 0.669 RESID 165 (Q): CA 60.870 60.870 58.840 2.030 RESID 165 (Q): CB 28.120 28.120 28.386 -0.266 RESID 165 (Q): H 8.058 8.058 8.546 -0.488 RESID 166 (A): N 121.100 121.100 122.438 -1.338 RESID 166 (A): C 178.000 178.000 179.426 -1.426 RESID 166 (A): CA 56.280 56.280 54.958 1.322 RESID 166 (A): CB 18.300 18.300 18.074 0.226 RESID 166 (A): H 7.873 7.873 8.002 -0.129 RESID 167 (A): N 117.900 117.900 120.945 -3.045 RESID 167 (A): C 181.500 181.500 179.608 1.892 RESID 167 (A): CA 55.100 55.100 55.268 -0.168 RESID 167 (A): CB 17.860 17.860 18.166 -0.306 RESID 167 (A): H 7.642 7.642 8.668 -1.026 RESID 168 (E): N 120.100 120.100 118.554 1.546 RESID 168 (E): C 179.600 179.600 179.132 0.468 RESID 168 (E): CA 59.610 59.610 59.616 -0.006 RESID 168 (E): CB 29.790 29.790 29.338 0.452 RESID 168 (E): H 8.230 8.230 7.905 0.325 RESID 170 (I): C 177.700 177.700 177.707 -0.007 RESID 170 (I): CA 66.880 66.880 65.313 1.567 RESID 170 (I): CB 39.310 39.310 37.953 1.357 RESID 171 (A): N 120.700 120.700 123.171 -2.471 RESID 171 (A): C 181.200 181.200 179.842 1.358 RESID 171 (A): CA 55.290 55.290 55.636 -0.346 RESID 171 (A): CB 18.260 18.260 18.116 0.144 RESID 171 (A): H 8.000 8.000 8.775 -0.775 RESID 172 (Q): N 120.600 120.600 118.033 2.567 RESID 172 (Q): C 179.200 179.200 178.583 0.617 RESID 172 (Q): CA 59.210 59.210 58.496 0.714 RESID 172 (Q): CB 28.340 28.340 28.602 -0.262 RESID 172 (Q): H 8.585 8.585 7.944 0.641 RESID 173 (F): N 122.500 122.500 122.628 -0.128 RESID 173 (F): C 176.400 176.400 177.401 -1.001 RESID 173 (F): CA 62.710 62.710 61.107 1.603 RESID 173 (F): CB 39.490 39.490 39.124 0.366 RESID 173 (F): H 8.457 8.457 8.802 -0.345 RESID 174 (D): N 121.000 121.000 120.101 0.899 RESID 174 (D): C 180.300 180.300 178.884 1.416 RESID 174 (D): CA 58.040 58.040 57.502 0.538 RESID 174 (D): CB 40.160 40.160 40.247 -0.087 RESID 174 (D): H 8.771 8.771 9.039 -0.268 RESID 175 (K): N 121.300 121.300 120.209 1.091 RESID 175 (K): C 179.800 179.800 178.634 1.166 RESID 175 (K): CA 59.630 59.630 59.637 -0.007 RESID 175 (K): CB 32.710 32.710 32.395 0.315 RESID 175 (K): H 8.125 8.125 8.179 -0.054 RESID 176 (Q): N 121.600 121.600 119.511 2.089 RESID 176 (Q): C 179.100 179.100 178.336 0.764 RESID 176 (Q): CA 58.460 58.460 58.940 -0.480 RESID 176 (Q): CB 27.990 27.990 28.524 -0.534 RESID 176 (Q): H 8.164 8.164 7.818 0.346 RESID 177 (L): N 125.600 125.600 119.599 6.001 RESID 177 (L): C 178.400 178.400 178.669 -0.269 RESID 177 (L): CA 59.890 59.890 57.238 2.652 RESID 177 (L): CB 41.200 41.200 41.361 -0.161 RESID 177 (L): H 8.944 8.944 7.743 1.201 RESID 178 (A): N 121.500 121.500 122.564 -1.064 RESID 178 (A): C 180.600 180.600 179.230 1.370 RESID 178 (A): CA 55.390 55.390 55.198 0.192 RESID 178 (A): CB 17.970 17.970 17.878 0.092 RESID 178 (A): H 7.690 7.690 8.246 -0.556 RESID 179 (A): N 120.200 120.200 120.972 -0.772 RESID 179 (A): C 180.600 180.600 179.874 0.726 RESID 179 (A): CA 54.860 54.860 54.513 0.347 RESID 179 (A): CB 18.190 18.190 18.601 -0.411 RESID 179 (A): H 7.706 7.706 7.657 0.049 RESID 180 (A): N 121.800 121.800 121.803 -0.003 RESID 180 (A): C 179.200 179.200 179.109 0.091 RESID 180 (A): CA 55.490 55.490 54.732 0.758 RESID 180 (A): CB 17.920 17.920 18.207 -0.287 RESID 180 (A): H 8.171 8.171 7.992 0.179 RESID 181 (K): N 118.100 118.100 117.957 0.143 RESID 181 (K): C 178.000 178.000 178.125 -0.125 RESID 181 (K): CA 59.830 59.830 59.187 0.643 RESID 181 (K): CB 33.340 33.340 32.639 0.701 RESID 181 (K): H 8.342 8.342 8.326 0.016 RESID 182 (E): N 114.400 114.400 116.543 -2.143 RESID 182 (E): C 177.300 177.300 177.423 -0.123 RESID 182 (E): CA 57.870 57.870 57.135 0.735 RESID 182 (E): CB 30.320 30.320 29.227 1.093 RESID 182 (E): H 7.153 7.153 7.707 -0.554 RESID 183 (Q): N 116.700 116.700 117.382 -0.682 RESID 183 (Q): C 177.200 177.200 176.170 1.030 RESID 183 (Q): CA 57.060 57.060 56.822 0.238 RESID 183 (Q): CB 31.550 31.550 31.116 0.434 RESID 183 (Q): H 7.458 7.458 7.633 -0.175 RESID 184 (I): N 117.800 117.800 115.846 1.954 RESID 184 (I): C 175.200 175.200 174.245 0.955 RESID 184 (I): CA 63.000 63.000 59.739 3.261 RESID 184 (I): CB 40.300 40.300 39.965 0.335 RESID 184 (I): H 7.723 7.723 7.424 0.299 RESID 185 (K): N 127.700 127.700 122.732 4.968 RESID 185 (K): C 175.600 175.600 175.328 0.272 RESID 185 (K): CA 54.550 54.550 55.052 -0.502 RESID 185 (K): CB 31.600 31.600 34.356 -2.756 RESID 185 (K): H 8.743 8.743 7.937 0.806 RESID 186 (L): N 124.700 124.700 125.392 -0.692 RESID 186 (L): C 175.700 175.700 175.845 -0.145 RESID 186 (L): CA 54.240 54.240 52.160 2.080 RESID 186 (L): CB 41.050 41.050 40.786 0.264 RESID 186 (L): H 8.051 8.051 8.562 -0.511 RESID 188 (P): C 174.800 174.800 176.252 -1.452 RESID 188 (P): CA 65.060 65.060 63.587 1.472 RESID 188 (P): CB 32.670 32.670 31.681 0.989 RESID 189 (Q): N 121.300 121.300 120.580 0.720 RESID 189 (Q): C 174.800 174.800 173.102 1.698 RESID 189 (Q): CA 52.330 52.330 54.724 -2.394 RESID 189 (Q): CB 31.350 31.350 30.442 0.909 RESID 189 (Q): H 8.061 8.061 8.233 -0.172 RESID 190 (P): C 175.500 175.500 175.576 -0.076 RESID 190 (P): CA 62.820 62.820 62.335 0.485 RESID 190 (P): CB 35.450 35.450 32.639 2.811 RESID 191 (V): N 112.600 112.600 121.668 -9.068 RESID 191 (V): C 174.300 174.300 173.969 0.331 RESID 191 (V): CA 59.740 59.740 59.518 0.222 RESID 191 (V): CB 35.030 35.030 34.692 0.338 RESID 191 (V): H 9.214 9.214 8.506 0.708 RESID 192 (T): N 120.700 120.700 113.320 7.380 RESID 192 (T): C 172.300 172.300 172.085 0.215 RESID 192 (T): CA 63.030 63.030 59.528 3.502 RESID 192 (T): CB 71.550 71.550 71.246 0.305 RESID 192 (T): H 8.462 8.462 8.317 0.145 RESID 193 (A): N 132.900 132.900 122.983 9.917 RESID 193 (A): C 175.400 175.400 175.397 0.003 RESID 193 (A): CA 50.570 50.570 51.140 -0.570 RESID 193 (A): CB 21.140 21.140 21.441 -0.301 RESID 193 (A): H 10.170 10.170 8.562 1.608 RESID 194 (I): N 115.400 115.400 117.477 -2.077 RESID 194 (I): C 176.600 176.600 173.694 2.906 RESID 194 (I): CA 59.540 59.540 59.998 -0.458 RESID 194 (I): CB 43.930 43.930 42.124 1.806 RESID 194 (I): H 9.269 9.269 8.524 0.745 RESID 195 (V): N 118.500 118.500 122.747 -4.247 RESID 195 (V): C 176.200 176.200 174.067 2.133 RESID 195 (V): CA 63.190 63.190 61.383 1.807 RESID 195 (V): CB 34.870 34.870 34.732 0.138 RESID 195 (V): H 8.484 8.484 8.653 -0.169 RESID 196 (Y): N 132.200 132.200 129.485 2.715 RESID 196 (Y): C 174.700 174.700 174.145 0.555 RESID 196 (Y): CA 57.000 57.000 57.414 -0.414 RESID 196 (Y): CB 41.250 41.250 40.205 1.045 RESID 196 (Y): H 9.989 9.989 8.981 1.008 RESID 197 (T): N 124.900 124.900 123.415 1.485 RESID 197 (T): C 174.300 174.300 173.366 0.934 RESID 197 (T): CA 60.740 60.740 60.631 0.109 RESID 197 (T): CB 68.560 68.560 71.605 -3.045 RESID 197 (T): H 8.262 8.262 7.833 0.429 RESID 198 (A): N 130.500 130.500 130.867 -0.367 RESID 198 (A): C 180.400 180.400 179.107 1.293 RESID 198 (A): CA 55.510 55.510 54.301 1.209 RESID 198 (A): CB 18.480 18.480 18.379 0.101 RESID 198 (A): H 8.524 8.524 8.833 -0.309 RESID 199 (A): N 118.700 118.700 123.396 -4.696 RESID 199 (A): C 177.700 177.700 178.742 -1.042 RESID 199 (A): CA 54.350 54.350 54.834 -0.484 RESID 199 (A): CB 18.350 18.350 17.998 0.352 RESID 199 (A): H 8.578 8.578 8.264 0.314 RESID 200 (A): N 116.700 116.700 120.539 -3.839 RESID 200 (A): C 176.600 176.600 177.233 -0.633 RESID 200 (A): CA 51.290 51.290 52.117 -0.827 RESID 200 (A): CB 20.180 20.180 18.855 1.325 RESID 200 (A): H 6.638 6.638 8.087 -1.449 RESID 201 (H): N 116.900 116.900 116.382 0.518 RESID 201 (H): C 172.900 172.900 173.395 -0.495 RESID 201 (H): CA 56.710 56.710 56.313 0.397 RESID 201 (H): CB 27.820 27.820 28.241 -0.421 RESID 201 (H): H 7.569 7.569 7.735 -0.166 RESID 202 (S): N 110.500 110.500 114.442 -3.942 RESID 202 (S): C 171.500 171.500 171.460 0.040 RESID 202 (S): CA 56.530 56.530 57.607 -1.077 RESID 202 (S): CB 66.170 66.170 66.307 -0.137 RESID 202 (S): H 7.109 7.109 7.810 -0.701 RESID 203 (A): N 120.900 120.900 123.864 -2.964 RESID 203 (A): C 174.900 174.900 175.286 -0.386 RESID 203 (A): CA 50.890 50.890 51.417 -0.527 RESID 203 (A): CB 24.510 24.510 22.203 2.307 RESID 203 (A): H 8.618 8.618 8.306 0.312 RESID 204 (N): N 118.900 118.900 118.891 0.009 RESID 204 (N): C 173.300 173.300 173.459 -0.159 RESID 204 (N): CA 51.520 51.520 52.067 -0.547 RESID 204 (N): CB 40.080 40.080 42.161 -2.081 RESID 204 (N): H 8.333 8.333 8.224 0.109 RESID 205 (L): N 127.200 127.200 121.738 5.462 RESID 205 (L): C 175.700 175.700 175.571 0.129 RESID 205 (L): CA 54.920 54.920 54.063 0.856 RESID 205 (L): CB 44.180 44.180 42.642 1.538 RESID 205 (L): H 9.265 9.265 7.614 1.651 RESID 206 (W): N 125.300 125.300 123.654 1.646 RESID 206 (W): C 177.100 177.100 176.450 0.650 RESID 206 (W): CA 56.630 56.630 57.379 -0.749 RESID 206 (W): CB 29.690 29.690 30.818 -1.128 RESID 206 (W): H 8.560 8.560 7.918 0.642 RESID 207 (T): N 112.000 112.000 110.169 1.831 RESID 207 (T): C 176.100 176.100 173.277 2.823 RESID 207 (T): CA 60.120 60.120 59.234 0.886 RESID 207 (T): CB 68.540 68.540 70.377 -1.837 RESID 207 (T): H 8.029 8.029 8.135 -0.106 RESID 208 (P): C 176.000 176.000 176.851 -0.851 RESID 208 (P): CA 66.120 66.120 65.389 0.731 RESID 208 (P): CB 31.950 31.950 32.166 -0.216 RESID 209 (E): N 112.300 112.300 115.040 -2.740 RESID 209 (E): C 177.100 177.100 176.812 0.288 RESID 209 (E): CA 57.280 57.280 57.217 0.063 RESID 209 (E): CB 29.760 29.760 30.148 -0.388 RESID 209 (E): H 7.612 7.612 7.970 -0.358 RESID 210 (S): N 115.800 115.800 115.078 0.722 RESID 210 (S): C 173.900 173.900 175.527 -1.627 RESID 210 (S): CA 58.060 58.060 59.187 -1.127 RESID 210 (S): CB 67.320 67.320 64.477 2.843 RESID 210 (S): H 7.654 7.654 7.427 0.227 RESID 211 (A): N 125.200 125.200 127.375 -2.175 RESID 211 (A): C 180.600 180.600 179.848 0.752 RESID 211 (A): CA 55.410 55.410 55.317 0.093 RESID 211 (A): CB 18.530 18.530 18.764 -0.234 RESID 211 (A): H 8.874 8.874 9.020 -0.146 RESID 212 (Q): N 119.200 119.200 118.644 0.556 RESID 212 (Q): C 177.100 177.100 178.015 -0.915 RESID 212 (Q): CA 61.410 61.410 58.971 2.439 RESID 212 (Q): CB 27.090 27.090 27.418 -0.327 RESID 212 (Q): H 8.493 8.493 8.476 0.017 RESID 213 (G): N 107.500 107.500 107.644 -0.144 RESID 213 (G): C 175.400 175.400 176.316 -0.916 RESID 213 (G): CA 47.520 47.520 46.826 0.694 RESID 213 (G): H 8.053 8.053 8.300 -0.247 RESID 214 (Q): N 120.700 120.700 121.484 -0.784 RESID 214 (Q): C 179.000 179.000 178.385 0.615 RESID 214 (Q): CA 59.150 59.150 58.866 0.284 RESID 214 (Q): CB 29.110 29.110 28.695 0.415 RESID 214 (Q): H 8.501 8.501 8.079 0.422 RESID 215 (M): N 119.200 119.200 120.614 -1.414 RESID 215 (M): C 177.800 177.800 178.168 -0.368 RESID 215 (M): CA 59.760 59.760 59.638 0.122 RESID 215 (M): CB 32.050 32.050 32.840 -0.790 RESID 215 (M): H 7.878 7.878 8.192 -0.314 RESID 216 (L): N 115.800 115.800 118.817 -3.017 RESID 216 (L): C 179.900 179.900 179.030 0.870 RESID 216 (L): CA 58.160 58.160 57.648 0.512 RESID 216 (L): CB 40.010 40.010 41.455 -1.444 RESID 216 (L): H 7.517 7.517 7.979 -0.462 RESID 217 (E): N 121.000 121.000 119.676 1.324 RESID 217 (E): C 182.200 182.200 179.265 2.935 RESID 217 (E): CA 60.210 60.210 58.933 1.277 RESID 217 (E): CB 29.150 29.150 29.419 -0.269 RESID 217 (E): H 8.377 8.377 8.182 0.195 RESID 218 (Q): N 122.300 122.300 117.100 5.200 RESID 218 (Q): C 178.100 178.100 178.721 -0.621 RESID 218 (Q): CA 59.220 59.220 58.195 1.025 RESID 218 (Q): CB 28.850 28.850 29.108 -0.258 RESID 218 (Q): H 8.464 8.464 7.926 0.538 RESID 219 (L): N 118.400 118.400 117.197 1.203 RESID 219 (L): C 175.200 175.200 177.493 -2.293 RESID 219 (L): CA 55.880 55.880 57.121 -1.241 RESID 219 (L): CB 44.330 44.330 42.893 1.437 RESID 219 (L): H 7.433 7.433 7.748 -0.315 RESID 220 (G): N 104.600 104.600 102.699 1.901 RESID 220 (G): C 174.700 174.700 172.933 1.767 RESID 220 (G): CA 44.750 44.750 44.685 0.064 RESID 220 (G): H 7.777 7.777 8.163 -0.386 RESID 221 (F): N 119.100 119.100 118.885 0.215 RESID 221 (F): C 175.200 175.200 174.337 0.863 RESID 221 (F): CA 57.900 57.900 55.958 1.942 RESID 221 (F): CB 38.930 38.930 42.779 -3.849 RESID 221 (F): H 8.001 8.001 7.772 0.229 RESID 222 (T): N 117.600 117.600 115.971 1.629 RESID 222 (T): C 173.900 173.900 173.380 0.520 RESID 222 (T): CA 61.790 61.790 61.156 0.634 RESID 222 (T): CB 71.360 71.360 69.757 1.603 RESID 222 (T): H 8.961 8.961 8.565 0.396 RESID 223 (L): N 128.300 128.300 127.068 1.232 RESID 223 (L): C 178.300 178.300 176.650 1.650 RESID 223 (L): CA 54.760 54.760 53.398 1.362 RESID 223 (L): CB 41.600 41.600 42.745 -1.145 RESID 223 (L): H 9.269 9.269 8.210 1.059 RESID 224 (A): N 126.800 126.800 128.133 -1.333 RESID 224 (A): C 177.400 177.400 175.866 1.534 RESID 224 (A): CA 52.460 52.460 50.998 1.462 RESID 224 (A): CB 18.650 18.650 20.824 -2.174 RESID 224 (A): H 9.077 9.077 8.110 0.967 RESID 225 (K): N 123.400 123.400 121.130 2.270 RESID 225 (K): C 176.800 176.800 176.190 0.610 RESID 225 (K): CA 55.600 55.600 55.575 0.025 RESID 225 (K): CB 33.080 33.080 32.901 0.179 RESID 225 (K): H 8.601 8.601 8.362 0.239 RESID 226 (L): N 126.200 126.200 128.003 -1.803 RESID 226 (L): C 175.500 175.500 175.608 -0.108 RESID 226 (L): CA 53.420 53.420 53.966 -0.546 RESID 226 (L): CB 41.720 41.720 41.245 0.476 RESID 226 (L): H 8.634 8.634 8.520 0.114 RESID 227 (P): C 176.800 176.800 177.073 -0.273 RESID 227 (P): CA 62.860 62.860 62.884 -0.024 RESID 227 (P): CB 32.360 32.360 32.188 0.172 RESID 228 (A): N 124.900 124.900 124.844 0.056 RESID 228 (A): C 179.500 179.500 178.494 1.006 RESID 228 (A): CA 54.120 54.120 53.421 0.699 RESID 228 (A): CB 18.710 18.710 18.703 0.007 RESID 228 (A): H 8.412 8.412 8.513 -0.101 RESID 229 (G): N 107.700 107.700 107.504 0.196 RESID 229 (G): C 175.000 175.000 176.003 -1.003 RESID 229 (G): CA 46.040 46.040 45.436 0.604 RESID 229 (G): H 8.565 8.565 8.101 0.464 RESID 230 (L): N 121.100 121.100 122.313 -1.213 RESID 230 (L): C 176.900 176.900 178.365 -1.465 RESID 230 (L): CA 55.620 55.620 55.562 0.058 RESID 230 (L): CB 42.630 42.630 41.662 0.968 RESID 230 (L): H 7.454 7.454 7.873 -0.419 RESID 231 (N): N 119.400 119.400 119.815 -0.415 RESID 231 (N): C 175.300 175.300 175.922 -0.622 RESID 231 (N): CA 53.650 53.650 56.145 -2.495 RESID 231 (N): CB 38.940 38.940 37.993 0.947 RESID 231 (N): H 8.211 8.211 8.023 0.188 RESID 232 (A): N 124.500 124.500 120.007 4.493 RESID 232 (A): C 178.100 178.100 178.395 -0.295 RESID 232 (A): CA 53.110 53.110 51.828 1.282 RESID 232 (A): CB 19.340 19.340 18.191 1.149 RESID 232 (A): H 8.103 8.103 7.914 0.189 RESID 233 (S): N 115.200 115.200 115.759 -0.559 RESID 233 (S): C 175.100 175.100 175.469 -0.369 RESID 233 (S): CA 59.280 59.280 61.372 -2.092 RESID 233 (S): CB 64.280 64.280 63.294 0.986 RESID 233 (S): H 8.169 8.169 8.487 -0.318 RESID 234 (Q): N 122.100 122.100 120.928 1.172 RESID 234 (Q): C 176.400 176.400 175.886 0.514 RESID 234 (Q): CA 56.240 56.240 56.220 0.020 RESID 234 (Q): CB 29.490 29.490 30.901 -1.411 RESID 234 (Q): H 8.230 8.230 7.725 0.505 RESID 235 (S): N 117.100 117.100 118.117 -1.017 RESID 235 (S): C 174.900 174.900 174.654 0.246 RESID 235 (S): CA 58.910 58.910 58.893 0.017 RESID 235 (S): CB 64.510 64.510 62.883 1.627 RESID 235 (S): H 8.229 8.229 8.437 -0.208 RESID 236 (Q): N 122.300 122.300 127.142 -4.842 RESID 236 (Q): C 176.700 176.700 175.447 1.253 RESID 236 (Q): CA 56.610 56.610 55.491 1.119 RESID 236 (Q): CB 29.280 29.280 27.635 1.645 RESID 236 (Q): H 8.372 8.372 8.851 -0.479 RESID 237 (G): N 110.400 110.400 109.032 1.368 RESID 237 (G): C 174.100 174.100 172.964 1.136 RESID 237 (G): CA 45.720 45.720 45.468 0.252 RESID 237 (G): H 8.381 8.381 7.578 0.803 RESID 238 (K): N 120.500 120.500 121.471 -0.971 RESID 238 (K): C 176.600 176.600 175.489 1.111 RESID 238 (K): CA 56.490 56.490 56.020 0.470 RESID 238 (K): CB 33.320 33.320 32.752 0.568 RESID 238 (K): H 7.968 7.968 8.358 -0.390 RESID 239 (R): N 120.900 120.900 125.012 -4.112 RESID 239 (R): CA 56.130 56.130 55.938 0.192 RESID 239 (R): CB 31.560 31.560 30.911 0.649 RESID 239 (R): H 8.159 8.159 8.503 -0.344 RESID 240 (H): C 174.800 174.800 176.514 -1.714 RESID 240 (H): CA 55.740 55.740 58.639 -2.899 RESID 240 (H): CB 29.760 29.760 30.073 -0.313 RESID 241 (D): N 119.800 119.800 119.234 0.566 RESID 241 (D): C 174.700 174.700 176.270 -1.570 RESID 241 (D): CA 55.500 55.500 55.981 -0.481 RESID 241 (D): CB 40.550 40.550 41.216 -0.666 RESID 241 (D): H 9.052 9.052 8.390 0.662 RESID 242 (I): N 115.200 115.200 115.007 0.193 RESID 242 (I): C 175.600 175.600 174.388 1.212 RESID 242 (I): CA 59.090 59.090 59.402 -0.312 RESID 242 (I): CB 43.670 43.670 40.918 2.752 RESID 242 (I): H 7.087 7.087 7.411 -0.324 RESID 243 (I): N 125.100 125.100 126.130 -1.030 RESID 243 (I): C 175.300 175.300 174.268 1.032 RESID 243 (I): CA 60.340 60.340 60.627 -0.287 RESID 243 (I): CB 41.290 41.290 38.422 2.868 RESID 243 (I): H 8.746 8.746 8.509 0.237 RESID 244 (Q): N 128.400 128.400 127.540 0.860 RESID 244 (Q): C 175.300 175.300 174.253 1.047 RESID 244 (Q): CA 56.460 56.460 54.929 1.531 RESID 244 (Q): CB 29.800 29.800 29.792 0.008 RESID 244 (Q): H 8.768 8.768 8.602 0.166 RESID 245 (L): N 125.500 125.500 123.489 2.011 RESID 245 (L): C 176.200 176.200 176.615 -0.415 RESID 245 (L): CA 53.790 53.790 53.110 0.680 RESID 245 (L): CB 45.100 45.100 44.871 0.229 RESID 245 (L): H 8.640 8.640 8.346 0.294 RESID 246 (G): N 109.700 109.700 105.083 4.617 RESID 246 (G): C 174.200 174.200 174.318 -0.118 RESID 246 (G): CA 44.590 44.590 45.045 -0.455 RESID 246 (G): H 8.424 8.424 8.444 -0.020 RESID 247 (G): N 108.500 108.500 108.648 -0.148 RESID 247 (G): C 176.800 176.800 174.973 1.827 RESID 247 (G): CA 47.500 47.500 44.341 3.159 RESID 247 (G): H 8.666 8.666 7.740 0.926 RESID 248 (E): N 123.700 123.700 121.191 2.509 RESID 248 (E): C 177.300 177.300 176.500 0.800 RESID 248 (E): CA 58.560 58.560 57.512 1.048 RESID 248 (E): CB 29.330 29.330 29.151 0.179 RESID 248 (E): H 9.265 9.265 8.817 0.448 RESID 249 (N): N 116.700 116.700 116.633 0.067 RESID 249 (N): C 175.500 175.500 176.015 -0.515 RESID 249 (N): CA 53.490 53.490 53.563 -0.073 RESID 249 (N): CB 39.390 39.390 38.831 0.559 RESID 249 (N): H 7.963 7.963 7.782 0.181 RESID 250 (L): N 121.100 121.100 119.928 1.172 RESID 250 (L): C 177.100 177.100 178.104 -1.004 RESID 250 (L): CA 58.810 58.810 57.057 1.752 RESID 250 (L): CB 42.220 42.220 41.469 0.751 RESID 250 (L): H 7.104 7.104 7.801 -0.697 RESID 251 (A): N 117.400 117.400 122.360 -4.960 RESID 251 (A): C 179.500 179.500 178.168 1.332 RESID 251 (A): CA 55.340 55.340 54.656 0.684 RESID 251 (A): CB 17.960 17.960 18.387 -0.427 RESID 251 (A): H 8.141 8.141 8.313 -0.172 RESID 252 (A): N 117.400 117.400 118.582 -1.182 RESID 252 (A): C 179.100 179.100 178.327 0.773 RESID 252 (A): CA 53.990 53.990 52.400 1.591 RESID 252 (A): CB 18.970 18.970 18.960 0.010 RESID 252 (A): H 7.375 7.375 8.410 -1.035 RESID 253 (G): N 100.600 100.600 107.906 -7.306 RESID 253 (G): C 172.700 172.700 174.796 -2.096 RESID 253 (G): CA 45.380 45.380 45.023 0.357 RESID 253 (G): H 7.589 7.589 7.543 0.046 RESID 254 (L): N 124.800 124.800 122.850 1.950 RESID 254 (L): C 175.300 175.300 177.579 -2.279 RESID 254 (L): CA 53.020 53.020 54.863 -1.843 RESID 254 (L): CB 39.090 39.090 42.104 -3.014 RESID 254 (L): H 7.202 7.202 7.794 -0.592 RESID 255 (N): N 113.800 113.800 121.491 -7.691 RESID 255 (N): C 176.600 176.600 176.249 0.351 RESID 255 (N): CA 53.420 53.420 54.012 -0.592 RESID 255 (N): CB 37.600 37.600 38.825 -1.225 RESID 255 (N): H 7.701 7.701 8.842 -1.141 RESID 256 (G): N 109.100 109.100 106.564 2.536 RESID 256 (G): C 172.200 172.200 174.570 -2.370 RESID 256 (G): CA 45.790 45.790 45.339 0.451 RESID 256 (G): H 7.856 7.856 8.554 -0.698 RESID 257 (E): N 120.100 120.100 118.614 1.486 RESID 257 (E): C 176.900 176.900 175.590 1.310 RESID 257 (E): CA 57.880 57.880 56.545 1.335 RESID 257 (E): CB 29.760 29.760 30.575 -0.815 RESID 257 (E): H 8.443 8.443 8.653 -0.210 RESID 258 (S): N 107.500 107.500 113.573 -6.073 RESID 258 (S): C 172.500 172.500 172.469 0.031 RESID 258 (S): CA 58.010 58.010 58.605 -0.595 RESID 258 (S): CB 66.360 66.360 63.809 2.551 RESID 258 (S): H 7.176 7.176 7.986 -0.810 RESID 259 (L): N 124.900 124.900 127.585 -2.685 RESID 259 (L): C 173.900 173.900 176.493 -2.593 RESID 259 (L): CA 53.630 53.630 54.424 -0.794 RESID 259 (L): CB 46.240 46.240 42.427 3.813 RESID 259 (L): H 8.969 8.969 8.036 0.933 RESID 260 (F): N 123.700 123.700 123.053 0.647 RESID 260 (F): C 174.200 174.200 176.032 -1.832 RESID 260 (F): CA 56.460 56.460 54.962 1.498 RESID 260 (F): CB 41.560 41.560 40.458 1.102 RESID 260 (F): H 9.295 9.295 8.142 1.153 RESID 261 (L): N 123.900 123.900 120.154 3.746 RESID 261 (L): C 177.600 177.600 177.092 0.508 RESID 261 (L): CA 54.010 54.010 53.186 0.824 RESID 261 (L): CB 41.470 41.470 45.511 -4.041 RESID 261 (L): H 9.034 9.034 8.176 0.858 RESID 262 (F): N 123.800 123.800 122.365 1.435 RESID 262 (F): C 175.500 175.500 175.653 -0.153 RESID 262 (F): CA 58.850 58.850 56.882 1.968 RESID 262 (F): CB 39.930 39.930 38.481 1.449 RESID 262 (F): H 9.338 9.338 9.088 0.250 RESID 263 (A): N 121.900 121.900 124.107 -2.207 RESID 263 (A): C 175.300 175.300 177.025 -1.725 RESID 263 (A): CA 53.630 53.630 52.653 0.977 RESID 263 (A): CB 19.700 19.700 16.815 2.885 RESID 263 (A): H 8.902 8.902 8.281 0.621 RESID 264 (G): N 104.500 104.500 111.563 -7.063 RESID 264 (G): C 171.100 171.100 172.724 -1.624 RESID 264 (G): CA 45.540 45.540 45.059 0.481 RESID 264 (G): H 6.746 6.746 7.882 -1.136 RESID 265 (D): N 122.300 122.300 122.672 -0.372 RESID 265 (D): C 177.300 177.300 177.261 0.039 RESID 265 (D): CA 51.660 51.660 52.767 -1.107 RESID 265 (D): CB 42.840 42.840 42.271 0.569 RESID 265 (D): H 9.052 9.052 8.119 0.933 RESID 266 (Q): N 118.400 118.400 119.609 -1.209 RESID 266 (Q): C 177.600 177.600 177.456 0.144 RESID 266 (Q): CA 58.620 58.620 59.066 -0.446 RESID 266 (Q): CB 28.490 28.490 28.647 -0.157 RESID 266 (Q): H 8.277 8.277 8.604 -0.327 RESID 267 (K): N 117.700 117.700 118.787 -1.087 RESID 267 (K): C 180.400 180.400 178.087 2.313 RESID 267 (K): CA 59.390 59.390 59.554 -0.164 RESID 267 (K): CB 31.440 31.440 31.785 -0.345 RESID 267 (K): H 7.879 7.879 7.921 -0.042 RESID 268 (D): N 121.600 121.600 119.645 1.955 RESID 268 (D): C 177.400 177.400 178.341 -0.941 RESID 268 (D): CA 57.980 57.980 56.976 1.004 RESID 268 (D): CB 41.550 41.550 40.252 1.298 RESID 268 (D): H 7.640 7.640 8.117 -0.477 RESID 269 (A): N 121.700 121.700 121.482 0.218 RESID 269 (A): C 179.000 179.000 178.418 0.582 RESID 269 (A): CA 55.640 55.640 54.923 0.717 RESID 269 (A): CB 17.490 17.490 18.195 -0.705 RESID 269 (A): H 7.370 7.370 7.616 -0.246 RESID 270 (D): N 118.200 118.200 117.964 0.236 RESID 270 (D): C 179.300 179.300 176.512 2.788 RESID 270 (D): CA 57.570 57.570 56.304 1.266 RESID 270 (D): CB 39.860 39.860 40.246 -0.386 RESID 270 (D): H 8.735 8.735 7.961 0.774 RESID 271 (A): N 122.900 122.900 119.891 3.009 RESID 271 (A): C 180.800 180.800 179.321 1.479 RESID 271 (A): CA 55.040 55.040 53.563 1.476 RESID 271 (A): CB 18.300 18.300 19.319 -1.019 RESID 271 (A): H 7.579 7.579 7.033 0.546 RESID 272 (I): N 0.000 0.000 120.459 -120.459 RESID 272 (I): C 178.300 178.300 176.947 1.353 RESID 272 (I): CA 63.880 63.880 64.653 -0.773 RESID 272 (I): CB 35.710 35.710 38.129 -2.419 RESID 272 (I): H 7.340 7.340 8.396 -1.056 RESID 273 (Y): N 116.300 116.300 116.963 -0.663 RESID 273 (Y): C 177.000 177.000 176.763 0.237 RESID 273 (Y): CA 61.100 61.100 58.288 2.812 RESID 273 (Y): CB 37.770 37.770 35.836 1.934 RESID 273 (Y): H 7.509 7.509 7.290 0.219 RESID 274 (A): N 118.600 118.600 121.830 -3.230 RESID 274 (A): C 177.200 177.200 177.183 0.017 RESID 274 (A): CA 52.030 52.030 52.993 -0.963 RESID 274 (A): CB 19.580 19.580 19.424 0.156 RESID 274 (A): H 7.495 7.495 7.822 -0.327 RESID 275 (N): N 119.900 119.900 118.243 1.657 RESID 275 (N): C 175.700 175.700 174.012 1.688 RESID 275 (N): CA 51.030 51.030 51.357 -0.327 RESID 275 (N): CB 38.590 38.590 37.032 1.558 RESID 275 (N): H 7.200 7.200 7.956 -0.756 RESID 276 (P): C 178.900 178.900 178.495 0.405 RESID 276 (P): CA 65.190 65.190 65.468 -0.278 RESID 276 (P): CB 32.440 32.440 32.037 0.403 RESID 277 (L): N 116.700 116.700 117.410 -0.710 RESID 277 (L): C 178.000 178.000 178.914 -0.914 RESID 277 (L): CA 56.630 56.630 57.553 -0.923 RESID 277 (L): CB 41.720 41.720 41.504 0.216 RESID 277 (L): H 7.777 7.777 7.927 -0.150 RESID 278 (L): N 115.100 115.100 116.580 -1.480 RESID 278 (L): C 176.600 176.600 177.877 -1.277 RESID 278 (L): CA 53.200 53.200 54.949 -1.749 RESID 278 (L): CB 40.960 40.960 41.301 -0.341 RESID 278 (L): H 7.485 7.485 7.679 -0.194 RESID 279 (A): N 118.600 118.600 123.110 -4.510 RESID 279 (A): C 177.700 177.700 177.810 -0.110 RESID 279 (A): CA 55.090 55.090 54.374 0.716 RESID 279 (A): CB 19.710 19.710 18.604 1.106 RESID 279 (A): H 6.665 6.665 7.912 -1.247 RESID 280 (H): N 111.600 111.600 115.278 -3.678 RESID 280 (H): C 175.500 175.500 175.207 0.293 RESID 280 (H): CA 55.360 55.360 56.266 -0.905 RESID 280 (H): CB 29.540 29.540 28.640 0.900 RESID 280 (H): H 8.337 8.337 8.189 0.148 RESID 281 (L): N 124.100 124.100 122.492 1.608 RESID 281 (L): C 176.300 176.300 175.866 0.434 RESID 281 (L): CA 53.330 53.330 52.956 0.374 RESID 281 (L): CB 40.490 40.490 41.947 -1.458 RESID 281 (L): H 7.289 7.289 7.446 -0.157 RESID 282 (P): C 178.200 178.200 178.378 -0.178 RESID 282 (P): CA 66.050 66.050 65.681 0.369 RESID 282 (P): CB 32.150 32.150 31.726 0.424 RESID 283 (A): N 116.000 116.000 119.218 -3.218 RESID 283 (A): C 179.000 179.000 179.845 -0.845 RESID 283 (A): CA 55.630 55.630 55.193 0.437 RESID 283 (A): CB 19.490 19.490 18.183 1.306 RESID 283 (A): H 7.969 7.969 8.426 -0.457 RESID 284 (V): N 115.200 115.200 118.505 -3.305 RESID 284 (V): C 180.000 180.000 178.925 1.075 RESID 284 (V): CA 65.640 65.640 65.881 -0.241 RESID 284 (V): CB 32.560 32.560 30.822 1.738 RESID 284 (V): H 6.557 6.557 7.682 -1.125 RESID 285 (Q): N 121.200 121.200 120.438 0.762 RESID 285 (Q): C 178.000 178.000 177.652 0.348 RESID 285 (Q): CA 59.500 59.500 58.796 0.704 RESID 285 (Q): CB 29.080 29.080 28.609 0.471 RESID 285 (Q): H 8.581 8.581 7.812 0.769 RESID 286 (N): N 112.600 112.600 113.991 -1.391 RESID 286 (N): C 174.500 174.500 173.852 0.648 RESID 286 (N): CA 53.160 53.160 52.717 0.443 RESID 286 (N): CB 38.390 38.390 38.738 -0.348 RESID 286 (N): H 8.117 8.117 8.044 0.073 RESID 287 (K): N 118.500 118.500 115.946 2.554 RESID 287 (K): C 176.100 176.100 176.215 -0.115 RESID 287 (K): CA 57.540 57.540 57.307 0.233 RESID 287 (K): CB 28.570 28.570 29.543 -0.973 RESID 287 (K): H 7.724 7.724 7.687 0.037 RESID 288 (Q): N 119.700 119.700 117.151 2.549 RESID 288 (Q): C 173.700 173.700 174.073 -0.373 RESID 288 (Q): CA 52.970 52.970 54.832 -1.862 RESID 288 (Q): CB 28.640 28.640 29.000 -0.360 RESID 288 (Q): H 8.895 8.895 8.416 0.479 RESID 289 (V): N 119.200 119.200 118.610 0.590 RESID 289 (V): C 175.100 175.100 175.149 -0.049 RESID 289 (V): CA 61.600 61.600 61.118 0.482 RESID 289 (V): CB 32.610 32.610 34.002 -1.392 RESID 289 (V): H 6.246 6.246 6.917 -0.671 RESID 290 (Y): N 125.700 125.700 124.719 0.981 RESID 290 (Y): C 174.100 174.100 174.396 -0.296 RESID 290 (Y): CA 56.830 56.830 56.628 0.202 RESID 290 (Y): CB 40.950 40.950 42.361 -1.411 RESID 290 (Y): H 8.682 8.682 9.070 -0.388 RESID 291 (A): N 126.900 126.900 122.033 4.867 RESID 291 (A): C 178.300 178.300 176.743 1.557 RESID 291 (A): CA 51.560 51.560 50.388 1.172 RESID 291 (A): CB 19.670 19.670 21.240 -1.570 RESID 291 (A): H 9.057 9.057 8.656 0.401 RESID 292 (L): N 120.800 120.800 119.853 0.947 RESID 292 (L): C 175.500 175.500 176.234 -0.734 RESID 292 (L): CA 54.880 54.880 54.261 0.619 RESID 292 (L): CB 42.490 42.490 42.259 0.231 RESID 292 (L): H 8.342 8.342 8.919 -0.577 RESID 293 (G): N 107.500 107.500 103.807 3.693 RESID 293 (G): C 177.600 177.600 174.094 3.506 RESID 293 (G): CA 45.110 45.110 44.428 0.682 RESID 293 (G): H 7.973 7.973 7.388 0.585 RESID 294 (T): N 117.800 117.800 116.745 1.055 RESID 294 (T): C 176.400 176.400 176.020 0.380 RESID 294 (T): CA 65.260 65.260 65.221 0.039 RESID 294 (T): CB 68.310 68.310 69.165 -0.855 RESID 294 (T): H 8.808 8.808 8.574 0.234 RESID 295 (E): N 122.100 122.100 119.931 2.169 RESID 295 (E): C 177.700 177.700 176.605 1.095 RESID 295 (E): CA 58.540 58.540 58.337 0.203 RESID 295 (E): CB 29.010 29.010 28.771 0.239 RESID 295 (E): H 10.380 10.380 8.844 1.536 RESID 296 (T): N 103.000 103.000 108.631 -5.631 RESID 296 (T): C 173.600 173.600 174.337 -0.737 RESID 296 (T): CA 62.320 62.320 61.272 1.048 RESID 296 (T): CB 69.170 69.170 67.794 1.376 RESID 296 (T): H 7.062 7.062 7.915 -0.853 RESID 297 (F): N 121.500 121.500 123.009 -1.509 RESID 297 (F): C 174.500 174.500 175.876 -1.376 RESID 297 (F): CA 61.700 61.700 61.025 0.675 RESID 297 (F): CB 39.640 39.640 39.770 -0.130 RESID 297 (F): H 8.108 8.108 7.700 0.408 RESID 298 (R): N 116.800 116.800 119.763 -2.963 RESID 298 (R): C 176.000 176.000 175.110 0.890 RESID 298 (R): CA 54.160 54.160 55.794 -1.634 RESID 298 (R): CB 32.460 32.460 31.113 1.347 RESID 298 (R): H 7.552 7.552 8.260 -0.708 RESID 299 (L): N 125.500 125.500 126.524 -1.024 RESID 299 (L): C 174.800 174.800 174.399 0.401 RESID 299 (L): CA 54.300 54.300 53.953 0.347 RESID 299 (L): CB 41.670 41.670 44.138 -2.468 RESID 299 (L): H 8.903 8.903 8.432 0.471 RESID 300 (D): N 124.600 124.600 124.271 0.329 RESID 300 (D): C 173.400 173.400 175.633 -2.233 RESID 300 (D): CA 51.880 51.880 53.254 -1.374 RESID 300 (D): CB 43.230 43.230 42.645 0.585 RESID 300 (D): H 7.735 7.735 8.772 -1.037 RESID 301 (Y): N 118.100 118.100 121.402 -3.302 RESID 301 (Y): C 175.300 175.300 176.150 -0.850 RESID 301 (Y): CA 61.650 61.650 63.306 -1.656 RESID 301 (Y): CB 38.740 38.740 38.699 0.041 RESID 301 (Y): H 7.943 7.943 8.992 -1.049 RESID 302 (Y): N 112.300 112.300 115.459 -3.159 RESID 302 (Y): C 180.800 180.800 177.626 3.174 RESID 302 (Y): CA 61.970 61.970 60.922 1.048 RESID 302 (Y): CB 37.990 37.990 37.998 -0.008 RESID 302 (Y): H 7.309 7.309 8.121 -0.812 RESID 303 (S): N 119.100 119.100 115.743 3.357 RESID 303 (S): C 176.300 176.300 176.506 -0.206 RESID 303 (S): CA 60.690 60.690 61.526 -0.837 RESID 303 (S): CB 63.180 63.180 62.676 0.504 RESID 303 (S): H 9.411 9.411 9.440 -0.029 RESID 304 (A): N 126.900 126.900 125.486 1.414 RESID 304 (A): C 180.400 180.400 179.351 1.049 RESID 304 (A): CA 56.000 56.000 54.903 1.097 RESID 304 (A): CB 18.040 18.040 17.930 0.110 RESID 304 (A): H 8.860 8.860 7.836 1.024 RESID 305 (M): N 116.600 116.600 117.982 -1.382 RESID 305 (M): C 179.300 179.300 178.877 0.423 RESID 305 (M): CA 57.880 57.880 59.767 -1.887 RESID 305 (M): CB 31.350 31.350 32.394 -1.044 RESID 305 (M): H 7.346 7.346 7.510 -0.164 RESID 306 (Q): N 119.300 119.300 118.825 0.475 RESID 306 (Q): C 179.000 179.000 178.837 0.163 RESID 306 (Q): CA 59.410 59.410 58.884 0.526 RESID 306 (Q): CB 28.450 28.450 28.825 -0.375 RESID 306 (Q): H 7.633 7.633 7.780 -0.147 RESID 308 (L): C 178.700 178.700 178.491 0.209 RESID 308 (L): CA 58.690 58.690 58.424 0.266 RESID 308 (L): CB 41.790 41.790 41.386 0.404 RESID 309 (D): N 119.100 119.100 119.060 0.040 RESID 309 (D): C 179.600 179.600 178.885 0.715 RESID 309 (D): CA 57.830 57.830 57.549 0.281 RESID 309 (D): CB 40.820 40.820 40.335 0.485 RESID 309 (D): H 7.984 7.984 8.032 -0.048 RESID 310 (R): N 121.700 121.700 120.610 1.090 RESID 310 (R): C 178.900 178.900 178.732 0.168 RESID 310 (R): CA 58.590 58.590 59.191 -0.601 RESID 310 (R): CB 29.820 29.820 30.150 -0.330 RESID 310 (R): H 8.463 8.463 7.601 0.862 RESID 311 (L): N 119.200 119.200 119.909 -0.709 RESID 311 (L): C 178.800 178.800 178.720 0.080 RESID 311 (L): CA 58.380 58.380 58.105 0.275 RESID 311 (L): CB 42.340 42.340 41.840 0.500 RESID 311 (L): H 8.489 8.489 8.315 0.174 RESID 312 (K): N 116.500 116.500 118.742 -2.242 RESID 312 (K): C 178.000 178.000 178.411 -0.411 RESID 312 (K): CA 59.250 59.250 59.177 0.073 RESID 312 (K): CB 32.440 32.440 32.493 -0.053 RESID 312 (K): H 7.955 7.955 8.178 -0.223 RESID 313 (A): N 119.500 119.500 120.829 -1.329 RESID 313 (A): C 180.000 180.000 178.628 1.372 RESID 313 (A): CA 53.920 53.920 53.299 0.621 RESID 313 (A): CB 18.800 18.800 19.248 -0.448 RESID 313 (A): H 7.427 7.427 7.743 -0.316 RESID 314 (L): N 119.500 119.500 119.150 0.350 RESID 314 (L): C 177.400 177.400 176.454 0.946 RESID 314 (L): CA 56.770 56.770 57.230 -0.460 RESID 314 (L): CB 43.730 43.730 42.354 1.376 RESID 314 (L): H 7.431 7.431 8.112 -0.681 N HA C CA CB H RESID 26 (W): -3.413 ----- -0.882 0.346 3.254 0.185 RESID 27 (P): ----- ----- -0.015 -0.292 4.928 ----- RESID 28 (R): -3.808 ----- -1.414 0.735 0.757 0.077 RESID 29 (Q): -0.755 ----- 0.569 -1.293 1.432 -0.092 RESID 30 (I): -1.759 ----- 0.646 -0.879 -0.549 1.040 RESID 31 (T): 3.240 ----- 0.711 -1.298 1.045 0.586 RESID 32 (D): 5.681 ----- 1.421 0.740 -0.616 1.426 RESID 33 (S): -4.460 ----- -0.426 0.358 -0.438 -0.202 RESID 34 (R): -2.547 ----- -0.829 -3.522 0.128 0.601 RESID 35 (G): 5.136 ----- -2.292 -0.517 ----- -0.781 RESID 36 (T): 0.419 ----- 0.970 0.071 -0.184 0.542 RESID 37 (H): 0.453 ----- 0.736 -1.349 -2.030 0.360 RESID 38 (T): 3.608 ----- 1.255 2.041 -1.233 1.383 RESID 39 (L): 7.133 ----- 0.035 0.510 -0.934 0.406 RESID 40 (E): -1.640 ----- -0.327 0.297 0.488 0.118 RESID 41 (S): -1.775 ----- -1.468 -0.877 0.590 -0.160 RESID 42 (Q): 3.275 ----- -0.147 -2.048 0.567 -1.273 RESID 43 (P): ----- ----- -0.352 0.721 0.087 ----- RESID 44 (Q): 2.577 ----- -0.613 -1.447 2.869 2.611 RESID 45 (R): 8.171 ----- 0.507 0.054 0.020 2.446 RESID 47 (V): ----- ----- 0.261 -0.259 -0.286 ----- RESID 48 (S): -1.953 ----- 1.696 -2.047 -1.676 -0.741 RESID 49 (T): 4.235 ----- -2.995 0.961 -0.437 -0.314 RESID 50 (S): -0.371 ----- -0.623 -1.982 -0.120 -0.106 RESID 51 (V): 4.928 ----- -2.805 -0.320 -0.120 0.154 RESID 52 (T): 0.564 ----- 3.210 0.869 0.260 -0.135 RESID 53 (L): 1.120 ----- 0.437 -0.698 0.824 -0.499 RESID 54 (T): 1.762 ----- -1.741 -0.667 ----- -0.094 RESID 55 (G): -3.686 ----- -0.172 0.309 ----- -1.276 RESID 56 (S): -0.791 ----- -1.155 1.954 1.975 -1.244 RESID 58 (L): ----- ----- 1.783 -0.281 -0.103 ----- RESID 59 (A): -0.761 ----- -0.311 0.741 -0.314 -0.329 RESID 60 (I): ----- ----- -1.540 0.152 0.461 ----- RESID 61 (D): -2.327 ----- 0.249 0.044 -0.038 -0.000 RESID 62 (A): -3.013 ----- 2.678 -0.853 -1.618 0.086 RESID 63 (P): ----- ----- -2.115 0.595 -4.700 ----- RESID 64 (V): 3.945 ----- -0.931 -1.450 -0.818 0.434 RESID 65 (I): -4.286 ----- 1.544 -3.021 1.270 0.177 RESID 66 (A): 4.309 ----- -0.071 0.634 1.471 -0.420 RESID 67 (S): -5.021 ----- 2.241 -2.092 -2.420 0.252 RESID 68 (G): 5.632 ----- -1.621 2.042 ----- -1.056 RESID 69 (A): -3.693 ----- 2.716 -1.161 2.077 -0.809 RESID 70 (T): 5.699 ----- -2.718 -3.143 0.992 1.078 RESID 71 (T): -5.153 ----- -0.412 0.047 1.538 -0.803 RESID 72 (P): ----- ----- 0.982 -0.195 0.733 ----- RESID 73 (N): -4.652 ----- -1.613 0.743 -1.455 -0.707 RESID 74 (N): ----- ----- -1.118 5.031 0.352 ----- RESID 75 (R): -6.269 ----- -0.153 1.099 1.038 -0.278 RESID 76 (V): -10.363 ----- 0.070 -2.922 2.027 -0.831 RESID 77 (A): 5.933 ----- -1.106 -1.053 5.105 0.722 RESID 78 (D): 1.762 ----- 2.204 -0.938 0.368 0.429 RESID 79 (D): 0.848 ----- 0.284 1.093 0.889 -0.150 RESID 80 (Q): -4.364 ----- -1.182 -1.524 2.420 -0.182 RESID 81 (G): 0.013 ----- 0.861 0.949 ----- -0.644 RESID 82 (F): 0.624 ----- -0.429 -4.248 -2.634 0.309 RESID 83 (L): ----- ----- 0.964 0.362 -3.477 ----- RESID 84 (R): 0.305 ----- 0.757 3.441 1.644 -0.688 RESID 85 (Q): -2.606 ----- -2.693 0.209 -3.154 1.869 RESID 86 (W): -6.388 ----- -1.866 -5.123 -2.141 -1.957 RESID 87 (S): 3.942 ----- 1.452 0.490 ----- -1.280 RESID 88 (K): -3.922 ----- 0.178 0.464 -0.093 0.967 RESID 89 (V): 6.322 ----- 0.793 0.084 0.510 -0.659 RESID 90 (A): -0.417 ----- 1.062 1.341 1.321 0.651 RESID 91 (K): -0.471 ----- 3.010 0.981 -0.008 -0.274 RESID 92 (E): 5.080 ----- 1.494 2.271 -0.677 0.467 RESID 93 (R): -3.126 ----- 0.338 0.793 -1.533 -0.278 RESID 94 (K): 1.785 ----- 0.676 -0.643 -1.406 -0.704 RESID 95 (L): -1.042 ----- 0.311 0.718 1.046 0.084 RESID 96 (Q): 0.459 ----- -0.962 0.640 0.331 -0.869 RESID 97 (R): 6.465 ----- 0.585 -1.056 1.621 0.502 RESID 98 (L): 3.532 ----- -0.390 2.477 3.295 -0.415 RESID 99 (Y): -2.067 ----- -1.379 -0.821 -1.013 -1.354 RESID 100 (I): -6.191 ----- -0.345 -1.800 3.563 0.104 RESID 101 (G): 0.896 ----- -0.707 2.206 ----- -0.261 RESID 102 (E): 10.919 ----- -0.784 0.479 2.029 0.286 RESID 103 (P): ----- ----- -0.832 -1.373 -0.082 ----- RESID 104 (S): -5.233 ----- 0.139 -3.150 -0.051 -2.554 RESID 105 (A): 0.226 ----- 0.341 0.738 -0.902 0.333 RESID 106 (E): 0.384 ----- 0.443 1.246 -0.474 0.139 RESID 107 (A): -0.501 ----- 0.358 -0.279 0.783 -0.127 RESID 108 (V): -1.959 ----- -0.804 0.967 -0.301 -0.502 RESID 109 (A): -1.454 ----- 1.848 0.610 -0.143 0.143 RESID 110 (A): -0.721 ----- 0.263 -0.246 -0.030 -0.313 RESID 111 (Q): -1.035 ----- -1.039 0.924 -0.218 -0.297 RESID 112 (M): -6.220 ----- 0.060 0.361 -1.457 -0.061 RESID 113 (P): ----- ----- 0.443 0.220 0.320 ----- RESID 114 (D): -2.118 ----- -0.013 -2.013 -2.051 0.626 RESID 115 (L): ----- ----- 0.598 -1.321 ----- ----- RESID 116 (I): -2.713 ----- ----- 0.180 ----- 1.300 RESID 118 (I): ----- ----- -1.050 0.474 1.177 ----- RESID 119 (S): -0.101 ----- 0.540 -0.561 0.670 1.018 RESID 120 (A): 1.617 ----- -0.526 -0.044 1.574 -0.584 RESID 121 (T): -4.041 ----- -0.117 -2.457 1.604 -0.225 RESID 122 (G): -6.568 ----- 3.062 -0.758 ----- 0.159 RESID 123 (G): ----- ----- -0.219 1.020 ----- ----- RESID 124 (D): -2.225 ----- 1.161 -0.564 0.069 0.894 RESID 125 (S): -4.055 ----- 1.744 0.087 0.108 -1.111 RESID 126 (A): 4.909 ----- -1.974 -2.377 -2.234 0.225 RESID 127 (L): -0.026 ----- 0.548 1.469 1.226 -0.794 RESID 128 (A): 3.451 ----- 0.784 0.836 -0.503 1.291 RESID 129 (L): 0.733 ----- -0.853 -1.262 -0.423 0.352 RESID 130 (Y): -0.857 ----- 0.393 1.425 1.050 -1.090 RESID 131 (D): 1.187 ----- -0.123 0.580 0.296 0.909 RESID 132 (Q): -1.053 ----- 0.203 0.330 0.555 -0.178 RESID 133 (L): -0.473 ----- -0.697 0.236 -0.815 -0.367 RESID 134 (S): -3.082 ----- -0.374 0.190 0.747 -0.342 RESID 135 (T): -4.905 ----- -1.302 -2.067 0.659 -0.604 RESID 136 (I): 3.910 ----- 0.221 -0.097 0.291 0.337 RESID 137 (A): 1.852 ----- -1.687 -0.108 -0.164 -0.440 RESID 138 (P): ----- ----- -1.494 1.073 0.085 ----- RESID 139 (T): 2.183 ----- -0.033 -1.549 1.838 -0.177 RESID 140 (L): ----- ----- 0.476 -0.692 0.412 ----- RESID 141 (I): -2.012 ----- 0.915 -0.825 0.848 1.386 RESID 142 (I): 2.191 ----- 0.416 -1.945 -2.540 0.015 RESID 143 (N): 4.893 ----- 0.465 -2.005 0.146 0.699 RESID 144 (Y): -6.111 ----- 1.711 -3.691 -0.132 0.060 RESID 145 (D): 0.753 ----- 1.771 -0.204 3.360 0.438 RESID 146 (D): 4.130 ----- -0.078 -0.391 -1.688 -1.044 RESID 147 (K): -5.757 ----- -0.275 -1.539 -1.766 -0.550 RESID 148 (S): -0.505 ----- -0.392 -0.076 0.736 0.222 RESID 149 (W): 1.722 ----- 2.087 1.344 -0.711 -0.136 RESID 150 (Q): 3.225 ----- 0.280 3.384 -1.208 1.605 RESID 151 (S): 1.109 ----- 0.592 0.546 0.661 0.069 RESID 152 (L): 2.520 ----- 0.549 0.390 0.281 0.075 RESID 153 (L): 0.580 ----- 1.043 1.432 -0.103 0.951 RESID 154 (T): 3.540 ----- 0.302 1.332 0.533 0.143 RESID 155 (Q): 3.519 ----- 1.214 1.384 0.268 0.324 RESID 156 (L): ----- ----- 1.641 0.625 -0.132 ----- RESID 157 (G): 5.800 ----- -0.575 1.790 ----- 1.226 RESID 158 (E): 4.846 ----- 0.666 1.277 0.322 0.023 RESID 160 (T): ----- ----- 2.309 -1.220 2.648 ----- RESID 161 (G): -0.275 ----- 0.452 1.241 ----- -0.881 RESID 162 (H): 4.955 ----- -2.168 -0.506 -3.000 0.668 RESID 163 (E): 1.783 ----- 2.338 1.454 -0.444 1.545 RESID 164 (K): 0.200 ----- -0.088 -0.471 0.308 0.394 RESID 165 (Q): 2.213 ----- 0.669 2.030 -0.266 -0.488 RESID 166 (A): -1.338 ----- -1.426 1.322 0.226 -0.129 RESID 167 (A): -3.045 ----- 1.892 -0.168 -0.306 -1.026 RESID 168 (E): 1.546 ----- 0.468 -0.006 0.452 0.325 RESID 170 (I): ----- ----- -0.007 1.567 1.357 ----- RESID 171 (A): -2.471 ----- 1.358 -0.346 0.144 -0.775 RESID 172 (Q): 2.567 ----- 0.617 0.714 -0.262 0.641 RESID 173 (F): -0.128 ----- -1.001 1.603 0.366 -0.345 RESID 174 (D): 0.899 ----- 1.416 0.538 -0.087 -0.268 RESID 175 (K): 1.091 ----- 1.166 -0.007 0.315 -0.054 RESID 176 (Q): 2.089 ----- 0.764 -0.480 -0.534 0.346 RESID 177 (L): 6.001 ----- -0.269 2.652 -0.161 1.201 RESID 178 (A): -1.064 ----- 1.370 0.192 0.092 -0.556 RESID 179 (A): -0.772 ----- 0.726 0.347 -0.411 0.049 RESID 180 (A): -0.003 ----- 0.091 0.758 -0.287 0.179 RESID 181 (K): 0.143 ----- -0.125 0.643 0.701 0.016 RESID 182 (E): -2.143 ----- -0.123 0.735 1.093 -0.554 RESID 183 (Q): -0.682 ----- 1.030 0.238 0.434 -0.175 RESID 184 (I): 1.954 ----- 0.955 3.261 0.335 0.299 RESID 185 (K): 4.968 ----- 0.272 -0.502 -2.756 0.806 RESID 186 (L): -0.692 ----- -0.145 2.080 0.264 -0.511 RESID 188 (P): ----- ----- -1.452 1.472 0.989 ----- RESID 189 (Q): 0.720 ----- 1.698 -2.394 0.909 -0.172 RESID 190 (P): ----- ----- -0.076 0.485 2.811 ----- RESID 191 (V): -9.068 ----- 0.331 0.222 0.338 0.708 RESID 192 (T): 7.380 ----- 0.215 3.502 0.305 0.145 RESID 193 (A): 9.917 ----- 0.003 -0.570 -0.301 1.608 RESID 194 (I): -2.077 ----- 2.906 -0.458 1.806 0.745 RESID 195 (V): -4.247 ----- 2.133 1.807 0.138 -0.169 RESID 196 (Y): 2.715 ----- 0.555 -0.414 1.045 1.008 RESID 197 (T): 1.485 ----- 0.934 0.109 -3.045 0.429 RESID 198 (A): -0.367 ----- 1.293 1.209 0.101 -0.309 RESID 199 (A): -4.696 ----- -1.042 -0.484 0.352 0.314 RESID 200 (A): -3.839 ----- -0.633 -0.827 1.325 -1.449 RESID 201 (H): 0.518 ----- -0.495 0.397 -0.421 -0.166 RESID 202 (S): -3.942 ----- 0.040 -1.077 -0.137 -0.701 RESID 203 (A): -2.964 ----- -0.386 -0.527 2.307 0.312 RESID 204 (N): 0.009 ----- -0.159 -0.547 -2.081 0.109 RESID 205 (L): 5.462 ----- 0.129 0.856 1.538 1.651 RESID 206 (W): 1.646 ----- 0.650 -0.749 -1.128 0.642 RESID 207 (T): 1.831 ----- 2.823 0.886 -1.837 -0.106 RESID 208 (P): ----- ----- -0.851 0.731 -0.216 ----- RESID 209 (E): -2.740 ----- 0.288 0.063 -0.388 -0.358 RESID 210 (S): 0.722 ----- -1.627 -1.127 2.843 0.227 RESID 211 (A): -2.175 ----- 0.752 0.093 -0.234 -0.146 RESID 212 (Q): 0.556 ----- -0.915 2.439 -0.327 0.017 RESID 213 (G): -0.144 ----- -0.916 0.694 ----- -0.247 RESID 214 (Q): -0.784 ----- 0.615 0.284 0.415 0.422 RESID 215 (M): -1.414 ----- -0.368 0.122 -0.790 -0.314 RESID 216 (L): -3.017 ----- 0.870 0.512 -1.444 -0.462 RESID 217 (E): 1.324 ----- 2.935 1.277 -0.269 0.195 RESID 218 (Q): 5.200 ----- -0.621 1.025 -0.258 0.538 RESID 219 (L): 1.203 ----- -2.293 -1.241 1.437 -0.315 RESID 220 (G): 1.901 ----- 1.767 0.064 ----- -0.386 RESID 221 (F): 0.215 ----- 0.863 1.942 -3.849 0.229 RESID 222 (T): 1.629 ----- 0.520 0.634 1.603 0.396 RESID 223 (L): 1.232 ----- 1.650 1.362 -1.145 1.059 RESID 224 (A): -1.333 ----- 1.534 1.462 -2.174 0.967 RESID 225 (K): 2.270 ----- 0.610 0.025 0.179 0.239 RESID 226 (L): -1.803 ----- -0.108 -0.546 0.476 0.114 RESID 227 (P): ----- ----- -0.273 -0.024 0.172 ----- RESID 228 (A): 0.056 ----- 1.006 0.699 0.007 -0.101 RESID 229 (G): 0.196 ----- -1.003 0.604 ----- 0.464 RESID 230 (L): -1.213 ----- -1.465 0.058 0.968 -0.419 RESID 231 (N): -0.415 ----- -0.622 -2.495 0.947 0.188 RESID 232 (A): 4.493 ----- -0.295 1.282 1.149 0.189 RESID 233 (S): -0.559 ----- -0.369 -2.092 0.986 -0.318 RESID 234 (Q): 1.172 ----- 0.514 0.020 -1.411 0.505 RESID 235 (S): -1.017 ----- 0.246 0.017 1.627 -0.208 RESID 236 (Q): -4.842 ----- 1.253 1.119 1.645 -0.479 RESID 237 (G): 1.368 ----- 1.136 0.252 ----- 0.803 RESID 238 (K): -0.971 ----- 1.111 0.470 0.568 -0.390 RESID 239 (R): -4.112 ----- ----- 0.192 0.649 -0.344 RESID 240 (H): ----- ----- -1.714 -2.899 -0.313 ----- RESID 241 (D): 0.566 ----- -1.570 -0.481 -0.666 0.662 RESID 242 (I): 0.193 ----- 1.212 -0.312 2.752 -0.324 RESID 243 (I): -1.030 ----- 1.032 -0.287 2.868 0.237 RESID 244 (Q): 0.860 ----- 1.047 1.531 0.008 0.166 RESID 245 (L): 2.011 ----- -0.415 0.680 0.229 0.294 RESID 246 (G): 4.617 ----- -0.118 -0.455 ----- -0.020 RESID 247 (G): -0.148 ----- 1.827 3.159 ----- 0.926 RESID 248 (E): 2.509 ----- 0.800 1.048 0.179 0.448 RESID 249 (N): 0.067 ----- -0.515 -0.073 0.559 0.181 RESID 250 (L): 1.172 ----- -1.004 1.752 0.751 -0.697 RESID 251 (A): -4.960 ----- 1.332 0.684 -0.427 -0.172 RESID 252 (A): -1.182 ----- 0.773 1.591 0.010 -1.035 RESID 253 (G): -7.306 ----- -2.096 0.357 ----- 0.046 RESID 254 (L): 1.950 ----- -2.279 -1.843 -3.014 -0.592 RESID 255 (N): -7.691 ----- 0.351 -0.592 -1.225 -1.141 RESID 256 (G): 2.536 ----- -2.370 0.451 ----- -0.698 RESID 257 (E): 1.486 ----- 1.310 1.335 -0.815 -0.210 RESID 258 (S): -6.073 ----- 0.031 -0.595 2.551 -0.810 RESID 259 (L): -2.685 ----- -2.593 -0.794 3.813 0.933 RESID 260 (F): 0.647 ----- -1.832 1.498 1.102 1.153 RESID 261 (L): 3.746 ----- 0.508 0.824 -4.041 0.858 RESID 262 (F): 1.435 ----- -0.153 1.968 1.449 0.250 RESID 263 (A): -2.207 ----- -1.725 0.977 2.885 0.621 RESID 264 (G): -7.063 ----- -1.624 0.481 ----- -1.136 RESID 265 (D): -0.372 ----- 0.039 -1.107 0.569 0.933 RESID 266 (Q): -1.209 ----- 0.144 -0.446 -0.157 -0.327 RESID 267 (K): -1.087 ----- 2.313 -0.164 -0.345 -0.042 RESID 268 (D): 1.955 ----- -0.941 1.004 1.298 -0.477 RESID 269 (A): 0.218 ----- 0.582 0.717 -0.705 -0.246 RESID 270 (D): 0.236 ----- 2.788 1.266 -0.386 0.774 RESID 271 (A): 3.009 ----- 1.479 1.476 -1.019 0.546 RESID 272 (I): -120.459 ----- 1.353 -0.773 -2.419 -1.056 RESID 273 (Y): -0.663 ----- 0.237 2.812 1.934 0.219 RESID 274 (A): -3.230 ----- 0.017 -0.963 0.156 -0.327 RESID 275 (N): 1.657 ----- 1.688 -0.327 1.558 -0.756 RESID 276 (P): ----- ----- 0.405 -0.278 0.403 ----- RESID 277 (L): -0.710 ----- -0.914 -0.923 0.216 -0.150 RESID 278 (L): -1.480 ----- -1.277 -1.749 -0.341 -0.194 RESID 279 (A): -4.510 ----- -0.110 0.716 1.106 -1.247 RESID 280 (H): -3.678 ----- 0.293 -0.905 0.900 0.148 RESID 281 (L): 1.608 ----- 0.434 0.374 -1.458 -0.157 RESID 282 (P): ----- ----- -0.178 0.369 0.424 ----- RESID 283 (A): -3.218 ----- -0.845 0.437 1.306 -0.457 RESID 284 (V): -3.305 ----- 1.075 -0.241 1.738 -1.125 RESID 285 (Q): 0.762 ----- 0.348 0.704 0.471 0.769 RESID 286 (N): -1.391 ----- 0.648 0.443 -0.348 0.073 RESID 287 (K): 2.554 ----- -0.115 0.233 -0.973 0.037 RESID 288 (Q): 2.549 ----- -0.373 -1.862 -0.360 0.479 RESID 289 (V): 0.590 ----- -0.049 0.482 -1.392 -0.671 RESID 290 (Y): 0.981 ----- -0.296 0.202 -1.411 -0.388 RESID 291 (A): 4.867 ----- 1.557 1.172 -1.570 0.401 RESID 292 (L): 0.947 ----- -0.734 0.619 0.231 -0.577 RESID 293 (G): 3.693 ----- 3.506 0.682 ----- 0.585 RESID 294 (T): 1.055 ----- 0.380 0.039 -0.855 0.234 RESID 295 (E): 2.169 ----- 1.095 0.203 0.239 1.536 RESID 296 (T): -5.631 ----- -0.737 1.048 1.376 -0.853 RESID 297 (F): -1.509 ----- -1.376 0.675 -0.130 0.408 RESID 298 (R): -2.963 ----- 0.890 -1.634 1.347 -0.708 RESID 299 (L): -1.024 ----- 0.401 0.347 -2.468 0.471 RESID 300 (D): 0.329 ----- -2.233 -1.374 0.585 -1.037 RESID 301 (Y): -3.302 ----- -0.850 -1.656 0.041 -1.049 RESID 302 (Y): -3.159 ----- 3.174 1.048 -0.008 -0.812 RESID 303 (S): 3.357 ----- -0.206 -0.837 0.504 -0.029 RESID 304 (A): 1.414 ----- 1.049 1.097 0.110 1.024 RESID 305 (M): -1.382 ----- 0.423 -1.887 -1.044 -0.164 RESID 306 (Q): 0.475 ----- 0.163 0.526 -0.375 -0.147 RESID 308 (L): ----- ----- 0.209 0.266 0.404 ----- RESID 309 (D): 0.040 ----- 0.715 0.281 0.485 -0.048 RESID 310 (R): 1.090 ----- 0.168 -0.601 -0.330 0.862 RESID 311 (L): -0.709 ----- 0.080 0.275 0.500 0.174 RESID 312 (K): -2.242 ----- -0.411 0.073 -0.053 -0.223 RESID 313 (A): -1.329 ----- 1.372 0.621 -0.448 -0.316 RESID 314 (L): 0.350 ----- 0.946 -0.460 1.376 -0.681 DATA CS_STAT_INFO N RMS: 8.228 ppm Count: 256 Average Difference: 0.470 +/- 8.230 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.223 ppm Count: 281 Average Difference: -0.161 +/- 1.215 ppm DATA CS_STAT_INFO CA RMS: 1.340 ppm Count: 283 Average Difference: -0.098 +/- 1.339 ppm DATA CS_STAT_INFO CB RMS: 1.423 ppm Count: 260 Average Difference: -0.150 +/- 1.418 ppm DATA CS_STAT_INFO HN RMS: 0.715 ppm Count: 256 Average Difference: -0.019 +/- 0.716 ppm ############################################################################ For conformer 18: Atom Original Corrected SPARTA Difference RESID 25 (D): N 120.600 120.600 120.392 0.208 RESID 25 (D): C 174.400 174.400 175.344 -0.944 RESID 25 (D): CA 55.230 55.230 53.153 2.077 RESID 25 (D): CB 41.340 41.340 41.721 -0.381 RESID 25 (D): H 8.275 8.275 8.096 0.179 RESID 26 (W): N 120.100 120.100 123.438 -3.338 RESID 26 (W): C 174.200 174.200 175.082 -0.882 RESID 26 (W): CA 55.330 55.330 54.978 0.352 RESID 26 (W): CB 31.090 31.090 27.846 3.244 RESID 26 (W): H 7.788 7.788 7.583 0.205 RESID 27 (P): C 175.900 175.900 175.898 0.002 RESID 27 (P): CA 62.800 62.800 63.097 -0.297 RESID 27 (P): CB 37.260 37.260 32.315 4.946 RESID 28 (R): N 118.000 118.000 121.867 -3.867 RESID 28 (R): C 173.700 173.700 175.098 -1.398 RESID 28 (R): CA 55.160 55.160 54.429 0.731 RESID 28 (R): CB 33.430 33.430 32.670 0.760 RESID 28 (R): H 8.686 8.686 8.616 0.070 RESID 29 (Q): N 120.800 120.800 121.644 -0.844 RESID 29 (Q): C 175.500 175.500 174.908 0.592 RESID 29 (Q): CA 54.780 54.780 56.040 -1.260 RESID 29 (Q): CB 30.700 30.700 29.255 1.445 RESID 29 (Q): H 8.506 8.506 8.585 -0.079 RESID 30 (I): N 124.300 124.300 126.097 -1.797 RESID 30 (I): C 175.700 175.700 175.115 0.585 RESID 30 (I): CA 58.520 58.520 59.440 -0.919 RESID 30 (I): CB 40.680 40.680 41.174 -0.494 RESID 30 (I): H 9.002 9.002 7.920 1.082 RESID 31 (T): N 125.200 125.200 121.989 3.211 RESID 31 (T): C 174.400 174.400 173.672 0.728 RESID 31 (T): CA 62.150 62.150 63.452 -1.302 RESID 31 (T): CB 70.640 70.640 69.591 1.049 RESID 31 (T): H 8.989 8.989 8.402 0.587 RESID 32 (D): N 129.500 129.500 123.798 5.702 RESID 32 (D): C 177.400 177.400 175.956 1.444 RESID 32 (D): CA 52.630 52.630 51.834 0.796 RESID 32 (D): CB 42.950 42.950 43.435 -0.485 RESID 32 (D): H 9.389 9.389 7.979 1.410 RESID 33 (S): N 111.900 111.900 116.315 -4.415 RESID 33 (S): C 175.600 175.600 176.182 -0.582 RESID 33 (S): CA 60.920 60.920 60.479 0.441 RESID 33 (S): CB 63.430 63.430 63.819 -0.389 RESID 33 (S): H 8.075 8.075 8.288 -0.213 RESID 34 (R): N 120.600 120.600 122.990 -2.390 RESID 34 (R): C 176.100 176.100 176.730 -0.630 RESID 34 (R): CA 55.020 55.020 58.676 -3.656 RESID 34 (R): CB 30.850 30.850 30.680 0.170 RESID 34 (R): H 8.433 8.433 7.965 0.468 RESID 35 (G): N 108.900 108.900 103.729 5.171 RESID 35 (G): C 171.200 171.200 173.450 -2.250 RESID 35 (G): CA 45.060 45.060 45.563 -0.503 RESID 35 (G): H 7.837 7.837 8.595 -0.758 RESID 36 (T): N 116.300 116.300 116.169 0.131 RESID 36 (T): C 173.800 173.800 173.016 0.784 RESID 36 (T): CA 62.670 62.670 62.643 0.027 RESID 36 (T): CB 70.000 70.000 70.086 -0.086 RESID 36 (T): H 8.192 8.192 7.609 0.583 RESID 37 (H): N 125.800 125.800 125.314 0.486 RESID 37 (H): C 174.000 174.000 173.277 0.723 RESID 37 (H): CA 54.060 54.060 55.331 -1.271 RESID 37 (H): CB 31.020 31.020 33.038 -2.018 RESID 37 (H): H 8.986 8.986 8.625 0.361 RESID 38 (T): N 121.500 121.500 117.062 4.438 RESID 38 (T): C 174.200 174.200 172.808 1.392 RESID 38 (T): CA 63.190 63.190 61.075 2.115 RESID 38 (T): CB 70.080 70.080 71.327 -1.247 RESID 38 (T): H 9.101 9.101 7.494 1.607 RESID 39 (L): N 129.600 129.600 122.395 7.205 RESID 39 (L): C 176.900 176.900 176.799 0.101 RESID 39 (L): CA 53.990 53.990 53.477 0.513 RESID 39 (L): CB 43.160 43.160 44.074 -0.914 RESID 39 (L): H 9.145 9.145 8.680 0.465 RESID 40 (E): N 124.300 124.300 125.958 -1.658 RESID 40 (E): C 175.600 175.600 175.913 -0.313 RESID 40 (E): CA 59.420 59.420 59.107 0.313 RESID 40 (E): CB 30.710 30.710 30.226 0.484 RESID 40 (E): H 9.164 9.164 9.030 0.134 RESID 41 (S): N 108.300 108.300 110.136 -1.836 RESID 41 (S): C 171.700 171.700 173.180 -1.480 RESID 41 (S): CA 56.270 56.270 57.165 -0.895 RESID 41 (S): CB 65.420 65.420 64.831 0.589 RESID 41 (S): H 7.326 7.326 7.481 -0.155 RESID 42 (Q): N 123.900 123.900 120.626 3.274 RESID 42 (Q): C 174.600 174.600 174.753 -0.153 RESID 42 (Q): CA 53.730 53.730 55.746 -2.016 RESID 42 (Q): CB 28.470 28.470 27.920 0.550 RESID 42 (Q): H 7.339 7.339 8.605 -1.266 RESID 43 (P): C 176.300 176.300 176.665 -0.365 RESID 43 (P): CA 64.080 64.080 63.287 0.793 RESID 43 (P): CB 32.510 32.510 32.420 0.090 RESID 44 (Q): N 125.100 125.100 122.470 2.630 RESID 44 (Q): C 175.400 175.400 176.023 -0.623 RESID 44 (Q): CA 55.780 55.780 57.310 -1.530 RESID 44 (Q): CB 32.660 32.660 29.814 2.846 RESID 44 (Q): H 11.160 11.160 8.526 2.634 RESID 45 (R): N 125.700 125.700 117.407 8.293 RESID 45 (R): C 174.600 174.600 174.106 0.494 RESID 45 (R): CA 55.310 55.310 55.213 0.097 RESID 45 (R): CB 33.070 33.070 33.148 -0.078 RESID 45 (R): H 10.010 10.010 7.548 2.462 RESID 47 (V): C 174.700 174.700 174.472 0.228 RESID 47 (V): CA 60.970 60.970 61.226 -0.256 RESID 47 (V): CB 34.140 34.140 34.309 -0.169 RESID 48 (S): N 118.300 118.300 120.120 -1.820 RESID 48 (S): C 175.500 175.500 173.845 1.655 RESID 48 (S): CA 55.700 55.700 57.680 -1.980 RESID 48 (S): CB 64.750 64.750 66.367 -1.617 RESID 48 (S): H 7.852 7.852 8.590 -0.738 RESID 49 (T): N 116.800 116.800 112.546 4.254 RESID 49 (T): C 171.500 171.500 174.539 -3.039 RESID 49 (T): CA 62.400 62.400 61.414 0.986 RESID 49 (T): CB 69.320 69.320 69.714 -0.394 RESID 49 (T): H 8.283 8.283 8.602 -0.319 RESID 50 (S): N 116.200 116.200 116.519 -0.319 RESID 50 (S): C 174.600 174.600 175.212 -0.612 RESID 50 (S): CA 54.640 54.640 56.612 -1.972 RESID 50 (S): CB 64.000 64.000 64.150 -0.149 RESID 50 (S): H 7.627 7.627 7.738 -0.111 RESID 51 (V): N 134.300 134.300 129.042 5.258 RESID 51 (V): C 175.100 175.100 177.828 -2.728 RESID 51 (V): CA 65.620 65.620 66.015 -0.395 RESID 51 (V): CB 31.790 31.790 31.981 -0.191 RESID 51 (V): H 9.218 9.218 9.009 0.209 RESID 52 (T): N 117.000 117.000 116.172 0.828 RESID 52 (T): C 179.700 179.700 176.340 3.360 RESID 52 (T): CA 67.390 67.390 66.879 0.511 RESID 52 (T): CB 69.130 69.130 68.629 0.501 RESID 52 (T): H 7.841 7.841 8.022 -0.181 RESID 53 (L): N 123.400 123.400 121.963 1.437 RESID 53 (L): C 178.700 178.700 178.177 0.523 RESID 53 (L): CA 57.460 57.460 58.216 -0.756 RESID 53 (L): CB 42.610 42.610 41.754 0.856 RESID 53 (L): H 8.092 8.092 8.613 -0.521 RESID 54 (T): N 117.500 117.500 115.723 1.777 RESID 54 (T): C 174.900 174.900 176.634 -1.734 RESID 54 (T): CA 67.070 67.070 67.724 -0.654 RESID 54 (T): H 8.039 8.039 8.125 -0.086 RESID 55 (G): N 105.500 105.500 109.220 -3.720 RESID 55 (G): C 175.600 175.600 175.811 -0.211 RESID 55 (G): CA 47.260 47.260 46.974 0.286 RESID 55 (G): H 6.591 6.591 7.867 -1.276 RESID 56 (S): N 117.000 117.000 117.749 -0.749 RESID 56 (S): C 175.600 175.600 176.753 -1.153 RESID 56 (S): CA 63.400 63.400 61.538 1.863 RESID 56 (S): CB 65.060 65.060 63.098 1.962 RESID 56 (S): H 6.709 6.709 7.953 -1.244 RESID 58 (L): C 181.200 181.200 179.431 1.769 RESID 58 (L): CA 57.480 57.480 57.765 -0.285 RESID 58 (L): CB 40.810 40.810 40.928 -0.118 RESID 59 (A): N 122.100 122.100 122.886 -0.786 RESID 59 (A): C 178.500 178.500 178.780 -0.280 RESID 59 (A): CA 55.540 55.540 54.803 0.737 RESID 59 (A): CB 18.440 18.440 18.751 -0.311 RESID 59 (A): H 7.797 7.797 8.106 -0.309 RESID 60 (I): C 172.700 172.700 174.247 -1.547 RESID 60 (I): CA 60.390 60.390 60.229 0.161 RESID 60 (I): CB 37.930 37.930 37.497 0.433 RESID 61 (D): N 116.200 116.200 118.644 -2.444 RESID 61 (D): C 174.800 174.800 174.562 0.238 RESID 61 (D): CA 55.850 55.850 55.805 0.045 RESID 61 (D): CB 38.930 38.930 38.965 -0.035 RESID 61 (D): H 7.736 7.736 7.743 -0.007 RESID 62 (A): N 118.900 118.900 122.072 -3.172 RESID 62 (A): C 176.800 176.800 174.107 2.693 RESID 62 (A): CA 50.040 50.040 50.881 -0.841 RESID 62 (A): CB 17.940 17.940 19.592 -1.652 RESID 62 (A): H 7.820 7.820 7.722 0.098 RESID 63 (P): C 173.600 173.600 175.716 -2.116 RESID 63 (P): CA 63.250 63.250 62.624 0.626 RESID 63 (P): CB 27.640 27.640 32.347 -4.707 RESID 64 (V): N 123.100 123.100 119.338 3.762 RESID 64 (V): C 174.800 174.800 175.713 -0.913 RESID 64 (V): CA 58.420 58.420 59.882 -1.462 RESID 64 (V): CB 33.300 33.300 34.055 -0.755 RESID 64 (V): H 8.299 8.299 7.867 0.432 RESID 65 (I): N 122.000 122.000 126.421 -4.421 RESID 65 (I): C 177.100 177.100 175.558 1.542 RESID 65 (I): CA 61.010 61.010 64.035 -3.025 RESID 65 (I): CB 39.480 39.480 38.212 1.268 RESID 65 (I): H 8.589 8.589 8.332 0.257 RESID 66 (A): N 120.700 120.700 116.446 4.254 RESID 66 (A): C 175.100 175.100 175.223 -0.123 RESID 66 (A): CA 51.300 51.300 50.623 0.677 RESID 66 (A): CB 22.980 22.980 21.524 1.456 RESID 66 (A): H 7.246 7.246 7.669 -0.423 RESID 67 (S): N 111.700 111.700 116.804 -5.104 RESID 67 (S): C 176.500 176.500 174.225 2.275 RESID 67 (S): CA 55.230 55.230 57.304 -2.074 RESID 67 (S): CB 65.300 65.300 67.716 -2.416 RESID 67 (S): H 8.561 8.561 8.328 0.233 RESID 68 (G): N 112.900 112.900 107.275 5.625 RESID 68 (G): C 171.000 171.000 172.612 -1.612 RESID 68 (G): CA 46.580 46.580 44.515 2.065 RESID 68 (G): H 7.604 7.604 8.652 -1.048 RESID 69 (A): N 122.300 122.300 125.996 -3.696 RESID 69 (A): C 177.900 177.900 175.228 2.672 RESID 69 (A): CA 51.280 51.280 52.450 -1.170 RESID 69 (A): CB 23.440 23.440 21.378 2.062 RESID 69 (A): H 7.402 7.402 8.220 -0.818 RESID 70 (T): N 119.600 119.600 114.130 5.470 RESID 70 (T): C 171.400 171.400 174.127 -2.727 RESID 70 (T): CA 58.150 58.150 61.289 -3.139 RESID 70 (T): CB 70.880 70.880 69.795 1.085 RESID 70 (T): H 9.171 9.171 8.157 1.014 RESID 71 (T): N 116.500 116.500 121.806 -5.306 RESID 71 (T): C 172.500 172.500 172.919 -0.419 RESID 71 (T): CA 61.680 61.680 61.636 0.044 RESID 71 (T): CB 70.490 70.490 68.934 1.556 RESID 71 (T): H 7.663 7.663 8.468 -0.805 RESID 72 (P): C 177.100 177.100 176.132 0.968 RESID 72 (P): CA 63.390 63.390 63.587 -0.197 RESID 72 (P): CB 32.940 32.940 32.217 0.723 RESID 73 (N): N 115.200 115.200 119.748 -4.548 RESID 73 (N): C 174.600 174.600 176.229 -1.629 RESID 73 (N): CA 54.570 54.570 53.840 0.730 RESID 73 (N): CB 37.020 37.020 38.482 -1.462 RESID 73 (N): H 7.990 7.990 8.693 -0.703 RESID 74 (N): C 175.800 175.800 177.020 -1.220 RESID 74 (N): CA 60.660 60.660 55.689 4.971 RESID 74 (N): CB 38.070 38.070 37.734 0.336 RESID 75 (R): N 114.600 114.600 120.976 -6.376 RESID 75 (R): C 177.400 177.400 177.563 -0.163 RESID 75 (R): CA 59.940 59.940 58.880 1.060 RESID 75 (R): CB 31.110 31.110 30.038 1.072 RESID 75 (R): H 8.049 8.049 8.338 -0.289 RESID 76 (V): N 107.100 107.100 117.274 -10.174 RESID 76 (V): C 176.000 176.000 175.968 0.032 RESID 76 (V): CA 61.110 61.110 64.062 -2.953 RESID 76 (V): CB 33.590 33.590 31.566 2.025 RESID 76 (V): H 7.356 7.356 8.184 -0.828 RESID 77 (A): N 126.900 126.900 121.101 5.799 RESID 77 (A): C 176.500 176.500 177.552 -1.052 RESID 77 (A): CA 51.390 51.390 52.416 -1.026 RESID 77 (A): CB 24.260 24.260 19.134 5.126 RESID 77 (A): H 7.873 7.873 7.170 0.703 RESID 78 (D): N 118.700 118.700 116.911 1.789 RESID 78 (D): C 178.100 178.100 175.887 2.213 RESID 78 (D): CA 51.970 51.970 52.906 -0.936 RESID 78 (D): CB 41.360 41.360 40.993 0.367 RESID 78 (D): H 8.607 8.607 8.177 0.430 RESID 79 (D): N 116.600 116.600 115.739 0.861 RESID 79 (D): C 176.400 176.400 176.114 0.286 RESID 79 (D): CA 56.030 56.030 54.950 1.080 RESID 79 (D): CB 40.100 40.100 39.217 0.883 RESID 79 (D): H 8.258 8.258 8.406 -0.148 RESID 80 (Q): N 117.200 117.200 121.553 -4.353 RESID 80 (Q): C 175.700 175.700 176.881 -1.181 RESID 80 (Q): CA 54.970 54.970 56.477 -1.507 RESID 80 (Q): CB 30.840 30.840 28.442 2.398 RESID 80 (Q): H 8.160 8.160 8.338 -0.178 RESID 81 (G): N 105.300 105.300 105.307 -0.007 RESID 81 (G): C 174.200 174.200 173.348 0.852 RESID 81 (G): CA 45.740 45.740 44.790 0.950 RESID 81 (G): H 7.419 7.419 8.065 -0.646 RESID 82 (F): N 121.700 121.700 121.079 0.621 RESID 82 (F): C 175.300 175.300 175.742 -0.442 RESID 82 (F): CA 52.530 52.530 56.799 -4.269 RESID 82 (F): CB 37.430 37.430 40.070 -2.640 RESID 82 (F): H 8.154 8.154 7.860 0.294 RESID 83 (L): C 178.400 178.400 177.454 0.946 RESID 83 (L): CA 55.550 55.550 55.217 0.333 RESID 83 (L): CB 38.480 38.480 41.974 -3.494 RESID 84 (R): N 119.000 119.000 118.687 0.313 RESID 84 (R): C 178.300 178.300 177.539 0.761 RESID 84 (R): CA 60.690 60.690 57.224 3.466 RESID 84 (R): CB 31.530 31.530 29.881 1.649 RESID 84 (R): H 7.746 7.746 8.433 -0.687 RESID 85 (Q): N 116.400 116.400 119.020 -2.620 RESID 85 (Q): C 174.700 174.700 177.385 -2.685 RESID 85 (Q): CA 58.200 58.200 57.989 0.211 RESID 85 (Q): CB 26.140 26.140 29.313 -3.173 RESID 85 (Q): H 9.838 9.838 7.975 1.863 RESID 86 (W): N 115.600 115.600 121.984 -6.384 RESID 86 (W): C 175.900 175.900 177.771 -1.871 RESID 86 (W): CA 55.320 55.320 60.473 -5.153 RESID 86 (W): CB 27.470 27.470 29.616 -2.146 RESID 86 (W): H 6.600 6.600 8.567 -1.967 RESID 87 (S): N 118.500 118.500 114.546 3.954 RESID 87 (S): C 177.300 177.300 175.832 1.468 RESID 87 (S): CA 62.340 62.340 61.872 0.468 RESID 87 (S): H 7.067 7.067 8.342 -1.275 RESID 88 (K): N 118.300 118.300 122.243 -3.943 RESID 88 (K): C 179.000 179.000 178.834 0.166 RESID 88 (K): CA 59.970 59.970 59.509 0.461 RESID 88 (K): CB 32.380 32.380 32.472 -0.092 RESID 88 (K): H 8.615 8.615 7.662 0.953 RESID 89 (V): N 120.600 120.600 114.221 6.379 RESID 89 (V): C 178.100 178.100 177.301 0.799 RESID 89 (V): CA 65.530 65.530 65.437 0.093 RESID 89 (V): CB 32.180 32.180 31.672 0.508 RESID 89 (V): H 7.089 7.089 7.748 -0.659 RESID 90 (A): N 120.700 120.700 121.155 -0.455 RESID 90 (A): C 180.000 180.000 178.940 1.060 RESID 90 (A): CA 55.490 55.490 54.161 1.329 RESID 90 (A): CB 19.130 19.130 17.827 1.303 RESID 90 (A): H 7.979 7.979 7.329 0.650 RESID 91 (K): N 117.600 117.600 118.024 -0.424 RESID 91 (K): C 180.900 180.900 177.880 3.020 RESID 91 (K): CA 59.830 59.830 58.837 0.993 RESID 91 (K): CB 32.700 32.700 32.719 -0.019 RESID 91 (K): H 7.844 7.844 8.132 -0.288 RESID 92 (E): N 122.300 122.300 117.282 5.018 RESID 92 (E): C 178.600 178.600 177.098 1.502 RESID 92 (E): CA 59.590 59.590 57.322 2.268 RESID 92 (E): CB 29.740 29.740 30.398 -0.658 RESID 92 (E): H 8.178 8.178 7.704 0.474 RESID 93 (R): N 115.300 115.300 118.406 -3.106 RESID 93 (R): C 175.000 175.000 174.680 0.320 RESID 93 (R): CA 56.320 56.320 55.528 0.792 RESID 93 (R): CB 29.390 29.390 30.906 -1.516 RESID 93 (R): H 7.776 7.776 8.038 -0.262 RESID 94 (K): N 116.800 116.800 115.022 1.778 RESID 94 (K): C 176.400 176.400 175.724 0.676 RESID 94 (K): CA 56.950 56.950 57.597 -0.647 RESID 94 (K): CB 28.870 28.870 30.270 -1.400 RESID 94 (K): H 7.697 7.697 8.427 -0.730 RESID 95 (L): N 120.600 120.600 121.682 -1.082 RESID 95 (L): C 177.200 177.200 176.919 0.281 RESID 95 (L): CA 56.710 56.710 55.971 0.738 RESID 95 (L): CB 43.480 43.480 42.456 1.024 RESID 95 (L): H 7.708 7.708 7.639 0.069 RESID 96 (Q): N 124.900 124.900 124.511 0.389 RESID 96 (Q): C 175.000 175.000 175.966 -0.966 RESID 96 (Q): CA 55.570 55.570 54.937 0.633 RESID 96 (Q): CB 30.080 30.080 29.749 0.331 RESID 96 (Q): H 7.526 7.526 8.404 -0.878 RESID 97 (R): N 126.000 126.000 119.557 6.443 RESID 97 (R): C 176.800 176.800 176.212 0.588 RESID 97 (R): CA 55.610 55.610 56.618 -1.008 RESID 97 (R): CB 31.840 31.840 30.231 1.609 RESID 97 (R): H 9.039 9.039 8.538 0.501 RESID 98 (L): N 126.500 126.500 123.003 3.497 RESID 98 (L): C 175.400 175.400 175.806 -0.406 RESID 98 (L): CA 56.610 56.610 54.175 2.435 RESID 98 (L): CB 47.140 47.140 43.811 3.329 RESID 98 (L): H 8.247 8.247 8.686 -0.439 RESID 99 (Y): N 110.000 110.000 111.999 -1.999 RESID 99 (Y): C 173.200 173.200 174.591 -1.391 RESID 99 (Y): CA 55.320 55.320 56.158 -0.838 RESID 99 (Y): CB 38.350 38.350 39.341 -0.991 RESID 99 (Y): H 6.465 6.465 7.819 -1.354 RESID 100 (I): N 120.000 120.000 126.188 -6.188 RESID 100 (I): C 176.800 176.800 177.141 -0.341 RESID 100 (I): CA 61.290 61.290 63.112 -1.822 RESID 100 (I): CB 39.980 39.980 36.403 3.577 RESID 100 (I): H 8.725 8.725 8.628 0.097 RESID 101 (G): N 114.800 114.800 113.913 0.887 RESID 101 (G): C 173.400 173.400 174.092 -0.692 RESID 101 (G): CA 47.030 47.030 44.821 2.209 RESID 101 (G): H 8.224 8.224 8.469 -0.245 RESID 102 (E): N 129.600 129.600 118.684 10.916 RESID 102 (E): C 173.700 173.700 174.468 -0.768 RESID 102 (E): CA 54.480 54.480 53.993 0.487 RESID 102 (E): CB 29.790 29.790 27.752 2.038 RESID 102 (E): H 8.294 8.294 8.002 0.292 RESID 103 (P): C 175.400 175.400 176.235 -0.835 RESID 103 (P): CA 62.040 62.040 63.419 -1.379 RESID 103 (P): CB 32.570 32.570 32.666 -0.096 RESID 104 (S): N 111.900 111.900 117.114 -5.214 RESID 104 (S): C 174.800 174.800 174.627 0.173 RESID 104 (S): CA 55.340 55.340 58.513 -3.173 RESID 104 (S): CB 64.330 64.330 64.405 -0.075 RESID 104 (S): H 5.412 5.412 7.979 -2.567 RESID 105 (A): N 130.200 130.200 129.947 0.253 RESID 105 (A): C 179.400 179.400 179.043 0.357 RESID 105 (A): CA 55.070 55.070 54.312 0.758 RESID 105 (A): CB 18.210 18.210 19.113 -0.903 RESID 105 (A): H 9.211 9.211 8.881 0.330 RESID 106 (E): N 119.800 119.800 119.450 0.350 RESID 106 (E): C 179.300 179.300 178.859 0.441 RESID 106 (E): CA 60.270 60.270 59.033 1.237 RESID 106 (E): CB 28.990 28.990 29.464 -0.474 RESID 106 (E): H 8.731 8.731 8.584 0.147 RESID 107 (A): N 121.600 121.600 122.103 -0.503 RESID 107 (A): C 180.100 180.100 179.736 0.364 RESID 107 (A): CA 54.650 54.650 54.933 -0.283 RESID 107 (A): CB 19.220 19.220 18.440 0.780 RESID 107 (A): H 7.682 7.682 7.828 -0.146 RESID 108 (V): N 116.600 116.600 118.545 -1.945 RESID 108 (V): C 177.700 177.700 178.502 -0.802 RESID 108 (V): CA 66.920 66.920 65.957 0.963 RESID 108 (V): CB 31.430 31.430 31.733 -0.303 RESID 108 (V): H 7.015 7.015 7.512 -0.497 RESID 109 (A): N 121.400 121.400 122.837 -1.437 RESID 109 (A): C 181.100 181.100 179.224 1.876 RESID 109 (A): CA 55.540 55.540 54.919 0.621 RESID 109 (A): CB 17.900 17.900 18.039 -0.139 RESID 109 (A): H 8.262 8.262 8.123 0.139 RESID 110 (A): N 118.800 118.800 119.549 -0.749 RESID 110 (A): C 178.900 178.900 178.637 0.263 RESID 110 (A): CA 54.300 54.300 54.542 -0.242 RESID 110 (A): CB 18.460 18.460 18.486 -0.026 RESID 110 (A): H 7.607 7.607 7.926 -0.319 RESID 111 (Q): N 113.500 113.500 114.577 -1.077 RESID 111 (Q): C 174.900 174.900 175.948 -1.048 RESID 111 (Q): CA 55.160 55.160 54.277 0.883 RESID 111 (Q): CB 28.450 28.450 28.658 -0.208 RESID 111 (Q): H 7.148 7.148 7.439 -0.291 RESID 112 (M): N 114.700 114.700 120.838 -6.138 RESID 112 (M): C 173.300 173.300 173.236 0.064 RESID 112 (M): CA 55.900 55.900 55.528 0.373 RESID 112 (M): CB 30.300 30.300 31.738 -1.438 RESID 112 (M): H 7.882 7.882 7.933 -0.051 RESID 113 (P): C 176.700 176.700 176.251 0.449 RESID 113 (P): CA 62.820 62.820 62.597 0.223 RESID 113 (P): CB 33.340 33.340 32.949 0.391 RESID 114 (D): N 115.800 115.800 118.018 -2.218 RESID 114 (D): C 175.900 175.900 175.979 -0.079 RESID 114 (D): CA 53.150 53.150 55.242 -2.092 RESID 114 (D): CB 40.990 40.990 42.833 -1.843 RESID 114 (D): H 8.850 8.850 8.232 0.618 RESID 115 (L): C 174.900 174.900 174.290 0.610 RESID 115 (L): CA 52.800 52.800 54.200 -1.400 RESID 116 (I): N 123.500 123.500 126.308 -2.808 RESID 116 (I): CA 60.270 60.270 60.359 -0.089 RESID 116 (I): H 9.340 9.340 8.012 1.328 RESID 118 (I): C 174.400 174.400 175.371 -0.971 RESID 118 (I): CA 60.250 60.250 59.818 0.432 RESID 118 (I): CB 42.610 42.610 41.617 0.993 RESID 119 (S): N 121.600 121.600 121.165 0.435 RESID 119 (S): C 175.700 175.700 175.106 0.594 RESID 119 (S): CA 57.150 57.150 57.732 -0.582 RESID 119 (S): CB 65.280 65.280 64.608 0.672 RESID 119 (S): H 9.575 9.575 8.538 1.037 RESID 120 (A): N 126.000 126.000 124.453 1.547 RESID 120 (A): C 176.900 176.900 177.382 -0.482 RESID 120 (A): CA 54.300 54.300 54.346 -0.046 RESID 120 (A): CB 20.530 20.530 19.010 1.520 RESID 120 (A): H 8.143 8.143 8.653 -0.510 RESID 121 (T): N 106.400 106.400 110.569 -4.169 RESID 121 (T): C 173.000 173.000 173.092 -0.092 RESID 121 (T): CA 59.450 59.450 61.900 -2.450 RESID 121 (T): CB 72.310 72.310 70.704 1.606 RESID 121 (T): H 7.617 7.617 7.835 -0.218 RESID 122 (G): N 104.200 104.200 110.654 -6.454 RESID 122 (G): C 177.200 177.200 174.128 3.072 RESID 122 (G): CA 44.430 44.430 45.193 -0.763 RESID 122 (G): H 7.998 7.998 7.840 0.158 RESID 123 (G): C 174.100 174.100 174.311 -0.211 RESID 123 (G): CA 46.710 46.710 45.662 1.048 RESID 124 (D): N 116.900 116.900 119.325 -2.425 RESID 124 (D): C 176.900 176.900 175.925 0.975 RESID 124 (D): CA 52.320 52.320 52.920 -0.600 RESID 124 (D): CB 40.690 40.690 40.640 0.050 RESID 124 (D): H 8.617 8.617 7.792 0.825 RESID 125 (S): N 115.100 115.100 119.198 -4.098 RESID 125 (S): C 176.900 176.900 175.250 1.650 RESID 125 (S): CA 58.750 58.750 58.680 0.070 RESID 125 (S): CB 64.190 64.190 64.050 0.140 RESID 125 (S): H 7.322 7.322 8.428 -1.106 RESID 126 (A): N 134.900 134.900 130.177 4.723 RESID 126 (A): C 176.700 176.700 178.653 -1.953 RESID 126 (A): CA 51.150 51.150 53.496 -2.346 RESID 126 (A): CB 16.850 16.850 19.084 -2.234 RESID 126 (A): H 8.837 8.837 8.582 0.255 RESID 127 (L): N 121.000 121.000 121.031 -0.031 RESID 127 (L): C 178.900 178.900 178.358 0.542 RESID 127 (L): CA 58.730 58.730 57.259 1.471 RESID 127 (L): CB 42.840 42.840 41.607 1.233 RESID 127 (L): H 7.353 7.353 8.153 -0.800 RESID 128 (A): N 121.600 121.600 118.185 3.415 RESID 128 (A): C 178.900 178.900 178.160 0.740 RESID 128 (A): CA 55.010 55.010 54.192 0.818 RESID 128 (A): CB 18.200 18.200 18.695 -0.495 RESID 128 (A): H 8.918 8.918 7.629 1.289 RESID 129 (L): N 116.800 116.800 116.229 0.571 RESID 129 (L): C 177.000 177.000 177.890 -0.890 RESID 129 (L): CA 53.930 53.930 55.197 -1.267 RESID 129 (L): CB 42.710 42.710 43.088 -0.378 RESID 129 (L): H 7.776 7.776 7.416 0.360 RESID 130 (Y): N 122.000 122.000 122.888 -0.888 RESID 130 (Y): C 177.100 177.100 176.786 0.314 RESID 130 (Y): CA 64.420 64.420 62.905 1.515 RESID 130 (Y): CB 39.470 39.470 38.414 1.056 RESID 130 (Y): H 7.891 7.891 8.988 -1.097 RESID 131 (D): N 119.000 119.000 117.831 1.169 RESID 131 (D): C 178.300 178.300 178.392 -0.092 RESID 131 (D): CA 58.040 58.040 57.416 0.624 RESID 131 (D): CB 39.660 39.660 39.362 0.298 RESID 131 (D): H 9.014 9.014 8.095 0.919 RESID 132 (Q): N 118.900 118.900 119.888 -0.988 RESID 132 (Q): C 179.100 179.100 178.819 0.281 RESID 132 (Q): CA 58.930 58.930 58.741 0.189 RESID 132 (Q): CB 29.320 29.320 28.740 0.580 RESID 132 (Q): H 7.814 7.814 7.954 -0.140 RESID 133 (L): N 119.700 119.700 120.013 -0.313 RESID 133 (L): C 177.900 177.900 178.615 -0.715 RESID 133 (L): CA 57.910 57.910 57.577 0.333 RESID 133 (L): CB 40.980 40.980 41.793 -0.813 RESID 133 (L): H 8.450 8.450 8.916 -0.466 RESID 134 (S): N 111.800 111.800 115.003 -3.203 RESID 134 (S): C 175.500 175.500 175.994 -0.494 RESID 134 (S): CA 61.160 61.160 60.836 0.324 RESID 134 (S): CB 63.450 63.450 62.664 0.786 RESID 134 (S): H 8.128 8.128 8.460 -0.332 RESID 135 (T): N 111.100 111.100 116.334 -5.234 RESID 135 (T): C 175.300 175.300 176.469 -1.169 RESID 135 (T): CA 63.230 63.230 65.268 -2.038 RESID 135 (T): CB 69.670 69.670 69.013 0.657 RESID 135 (T): H 6.953 6.953 7.589 -0.636 RESID 136 (I): N 124.400 124.400 120.441 3.959 RESID 136 (I): C 175.800 175.800 175.557 0.243 RESID 136 (I): CA 63.940 63.940 63.991 -0.051 RESID 136 (I): CB 38.870 38.870 38.523 0.347 RESID 136 (I): H 7.694 7.694 7.277 0.417 RESID 137 (A): N 120.500 120.500 118.549 1.951 RESID 137 (A): C 172.300 172.300 173.918 -1.618 RESID 137 (A): CA 50.470 50.470 50.615 -0.145 RESID 137 (A): CB 19.320 19.320 19.457 -0.137 RESID 137 (A): H 7.540 7.540 8.018 -0.478 RESID 138 (P): C 174.700 174.700 176.212 -1.512 RESID 138 (P): CA 64.700 64.700 63.498 1.202 RESID 138 (P): CB 31.610 31.610 31.568 0.042 RESID 139 (T): N 122.000 122.000 120.034 1.966 RESID 139 (T): C 173.900 173.900 173.988 -0.088 RESID 139 (T): CA 61.630 61.630 63.202 -1.572 RESID 139 (T): CB 71.540 71.540 69.674 1.866 RESID 139 (T): H 7.990 7.990 8.163 -0.173 RESID 140 (L): C 174.900 174.900 174.305 0.595 RESID 140 (L): CA 52.740 52.740 53.524 -0.784 RESID 140 (L): CB 46.680 46.680 46.024 0.656 RESID 141 (I): N 123.500 123.500 125.780 -2.280 RESID 141 (I): C 175.700 175.700 174.575 1.125 RESID 141 (I): CA 60.250 60.250 61.222 -0.972 RESID 141 (I): CB 39.590 39.590 38.509 1.081 RESID 141 (I): H 9.345 9.345 7.911 1.434 RESID 142 (I): N 129.000 129.000 127.073 1.927 RESID 142 (I): C 174.400 174.400 174.194 0.206 RESID 142 (I): CA 57.930 57.930 59.867 -1.937 RESID 142 (I): CB 39.690 39.690 41.997 -2.307 RESID 142 (I): H 9.030 9.030 8.866 0.164 RESID 143 (N): N 129.100 129.100 124.137 4.963 RESID 143 (N): C 174.700 174.700 174.258 0.442 RESID 143 (N): CA 51.390 51.390 53.325 -1.935 RESID 143 (N): CB 39.720 39.720 39.605 0.115 RESID 143 (N): H 9.388 9.388 8.676 0.712 RESID 144 (Y): N 119.900 119.900 125.846 -5.946 RESID 144 (Y): C 176.500 176.500 174.759 1.741 RESID 144 (Y): CA 55.820 55.820 59.461 -3.641 RESID 144 (Y): CB 39.120 39.120 39.321 -0.201 RESID 144 (Y): H 8.491 8.491 8.249 0.242 RESID 145 (D): N 125.200 125.200 124.449 0.751 RESID 145 (D): C 176.800 176.800 175.037 1.763 RESID 145 (D): CA 55.220 55.220 55.425 -0.205 RESID 145 (D): CB 43.120 43.120 39.785 3.334 RESID 145 (D): H 8.800 8.800 8.361 0.439 RESID 146 (D): N 119.100 119.100 114.993 4.107 RESID 146 (D): C 175.200 175.200 175.255 -0.055 RESID 146 (D): CA 53.230 53.230 53.612 -0.382 RESID 146 (D): CB 40.760 40.760 42.452 -1.692 RESID 146 (D): H 7.571 7.571 8.626 -1.055 RESID 147 (K): N 114.100 114.100 119.865 -5.765 RESID 147 (K): C 175.000 175.000 175.277 -0.277 RESID 147 (K): CA 54.070 54.070 55.620 -1.550 RESID 147 (K): CB 33.340 33.340 35.077 -1.737 RESID 147 (K): H 7.018 7.018 7.572 -0.554 RESID 148 (S): N 118.300 118.300 118.798 -0.498 RESID 148 (S): C 175.700 175.700 176.081 -0.381 RESID 148 (S): CA 57.120 57.120 57.194 -0.074 RESID 148 (S): CB 64.970 64.970 64.264 0.706 RESID 148 (S): H 8.709 8.709 8.485 0.224 RESID 149 (W): N 121.700 121.700 119.948 1.752 RESID 149 (W): C 179.300 179.300 177.227 2.073 RESID 149 (W): CA 59.890 59.890 58.556 1.335 RESID 149 (W): CB 27.660 27.660 28.388 -0.728 RESID 149 (W): H 8.779 8.779 8.908 -0.129 RESID 150 (Q): N 124.600 124.600 121.431 3.169 RESID 150 (Q): C 178.100 178.100 177.816 0.284 RESID 150 (Q): CA 61.660 61.660 58.280 3.380 RESID 150 (Q): CB 26.550 26.550 27.750 -1.200 RESID 150 (Q): H 8.369 8.369 6.759 1.610 RESID 151 (S): N 117.500 117.500 116.370 1.130 RESID 151 (S): C 177.500 177.500 176.912 0.588 RESID 151 (S): CA 61.760 61.760 61.222 0.538 RESID 151 (S): CB 63.360 63.360 62.721 0.639 RESID 151 (S): H 7.769 7.769 7.716 0.053 RESID 152 (L): N 125.200 125.200 122.725 2.475 RESID 152 (L): C 178.700 178.700 178.140 0.560 RESID 152 (L): CA 58.320 58.320 57.934 0.385 RESID 152 (L): CB 41.980 41.980 41.688 0.292 RESID 152 (L): H 8.460 8.460 8.388 0.072 RESID 153 (L): N 119.200 119.200 118.618 0.582 RESID 153 (L): C 179.700 179.700 178.662 1.038 RESID 153 (L): CA 58.960 58.960 57.535 1.425 RESID 153 (L): CB 41.270 41.270 41.368 -0.098 RESID 153 (L): H 8.562 8.562 7.626 0.936 RESID 154 (T): N 116.300 116.300 112.793 3.507 RESID 154 (T): C 177.200 177.200 176.893 0.307 RESID 154 (T): CA 67.290 67.290 65.983 1.307 RESID 154 (T): CB 68.640 68.640 68.108 0.532 RESID 154 (T): H 8.004 8.004 7.854 0.150 RESID 155 (Q): N 124.500 124.500 121.023 3.477 RESID 155 (Q): C 179.200 179.200 178.031 1.169 RESID 155 (Q): CA 59.710 59.710 58.346 1.364 RESID 155 (Q): CB 28.620 28.620 28.366 0.254 RESID 155 (Q): H 8.230 8.230 7.921 0.309 RESID 156 (L): C 180.900 180.900 179.269 1.631 RESID 156 (L): CA 57.540 57.540 56.921 0.619 RESID 156 (L): CB 41.710 41.710 41.834 -0.124 RESID 157 (G): N 112.800 112.800 107.005 5.795 RESID 157 (G): C 174.500 174.500 175.060 -0.560 RESID 157 (G): CA 48.300 48.300 46.510 1.790 RESID 157 (G): H 9.216 9.216 8.018 1.198 RESID 158 (E): N 123.500 123.500 118.711 4.789 RESID 158 (E): C 177.800 177.800 177.179 0.621 RESID 158 (E): CA 59.120 59.120 57.893 1.227 RESID 158 (E): CB 29.700 29.700 29.393 0.307 RESID 158 (E): H 7.480 7.480 7.460 0.020 RESID 160 (T): C 178.300 178.300 176.007 2.293 RESID 160 (T): CA 61.930 61.930 63.093 -1.163 RESID 160 (T): CB 71.830 71.830 69.187 2.643 RESID 161 (G): N 113.600 113.600 113.917 -0.317 RESID 161 (G): C 174.600 174.600 174.171 0.429 RESID 161 (G): CA 48.130 48.130 46.881 1.249 RESID 161 (G): H 8.114 8.114 8.993 -0.879 RESID 162 (H): N 121.000 121.000 116.153 4.847 RESID 162 (H): C 174.000 174.000 176.194 -2.194 RESID 162 (H): CA 55.370 55.370 55.902 -0.532 RESID 162 (H): CB 28.280 28.280 31.251 -2.971 RESID 162 (H): H 8.506 8.506 7.835 0.671 RESID 163 (E): N 123.900 123.900 122.118 1.782 RESID 163 (E): C 180.800 180.800 178.470 2.330 RESID 163 (E): CA 61.160 61.160 59.749 1.411 RESID 163 (E): CB 28.720 28.720 29.152 -0.432 RESID 163 (E): H 10.300 10.300 8.764 1.536 RESID 164 (K): N 120.600 120.600 120.369 0.231 RESID 164 (K): C 178.700 178.700 178.790 -0.090 RESID 164 (K): CA 59.590 59.590 60.050 -0.460 RESID 164 (K): CB 32.280 32.280 31.973 0.307 RESID 164 (K): H 8.789 8.789 8.391 0.398 RESID 165 (Q): N 119.500 119.500 117.321 2.179 RESID 165 (Q): C 178.800 178.800 178.135 0.665 RESID 165 (Q): CA 60.870 60.870 58.845 2.025 RESID 165 (Q): CB 28.120 28.120 28.385 -0.265 RESID 165 (Q): H 8.058 8.058 8.541 -0.483 RESID 166 (A): N 121.100 121.100 122.432 -1.332 RESID 166 (A): C 178.000 178.000 179.427 -1.427 RESID 166 (A): CA 56.280 56.280 54.960 1.320 RESID 166 (A): CB 18.300 18.300 18.076 0.224 RESID 166 (A): H 7.873 7.873 8.062 -0.189 RESID 167 (A): N 117.900 117.900 120.937 -3.037 RESID 167 (A): C 181.500 181.500 179.616 1.884 RESID 167 (A): CA 55.100 55.100 55.257 -0.157 RESID 167 (A): CB 17.860 17.860 18.171 -0.311 RESID 167 (A): H 7.642 7.642 8.661 -1.019 RESID 168 (E): N 120.100 120.100 118.576 1.524 RESID 168 (E): C 179.600 179.600 179.130 0.470 RESID 168 (E): CA 59.610 59.610 59.609 0.001 RESID 168 (E): CB 29.790 29.790 29.337 0.453 RESID 168 (E): H 8.230 8.230 7.910 0.320 RESID 170 (I): C 177.700 177.700 177.694 0.006 RESID 170 (I): CA 66.880 66.880 65.293 1.587 RESID 170 (I): CB 39.310 39.310 37.955 1.355 RESID 171 (A): N 120.700 120.700 123.202 -2.502 RESID 171 (A): C 181.200 181.200 179.837 1.363 RESID 171 (A): CA 55.290 55.290 55.639 -0.349 RESID 171 (A): CB 18.260 18.260 18.110 0.150 RESID 171 (A): H 8.000 8.000 8.776 -0.776 RESID 172 (Q): N 120.600 120.600 118.033 2.567 RESID 172 (Q): C 179.200 179.200 178.581 0.619 RESID 172 (Q): CA 59.210 59.210 58.505 0.705 RESID 172 (Q): CB 28.340 28.340 28.596 -0.256 RESID 172 (Q): H 8.585 8.585 7.949 0.636 RESID 173 (F): N 122.500 122.500 122.601 -0.101 RESID 173 (F): C 176.400 176.400 177.408 -1.008 RESID 173 (F): CA 62.710 62.710 61.102 1.608 RESID 173 (F): CB 39.490 39.490 39.124 0.366 RESID 173 (F): H 8.457 8.457 8.755 -0.298 RESID 174 (D): N 121.000 121.000 120.114 0.886 RESID 174 (D): C 180.300 180.300 178.882 1.418 RESID 174 (D): CA 58.040 58.040 57.497 0.543 RESID 174 (D): CB 40.160 40.160 40.249 -0.089 RESID 174 (D): H 8.771 8.771 9.039 -0.268 RESID 175 (K): N 121.300 121.300 120.213 1.087 RESID 175 (K): C 179.800 179.800 178.636 1.164 RESID 175 (K): CA 59.630 59.630 59.638 -0.008 RESID 175 (K): CB 32.710 32.710 32.395 0.315 RESID 175 (K): H 8.125 8.125 8.191 -0.066 RESID 176 (Q): N 121.600 121.600 119.508 2.092 RESID 176 (Q): C 179.100 179.100 178.331 0.769 RESID 176 (Q): CA 58.460 58.460 58.936 -0.476 RESID 176 (Q): CB 27.990 27.990 28.522 -0.532 RESID 176 (Q): H 8.164 8.164 7.817 0.347 RESID 177 (L): N 125.600 125.600 119.594 6.006 RESID 177 (L): C 178.400 178.400 178.670 -0.270 RESID 177 (L): CA 59.890 59.890 57.233 2.657 RESID 177 (L): CB 41.200 41.200 41.361 -0.161 RESID 177 (L): H 8.944 8.944 7.738 1.206 RESID 178 (A): N 121.500 121.500 122.572 -1.072 RESID 178 (A): C 180.600 180.600 179.223 1.377 RESID 178 (A): CA 55.390 55.390 55.196 0.194 RESID 178 (A): CB 17.970 17.970 17.877 0.093 RESID 178 (A): H 7.690 7.690 8.234 -0.544 RESID 179 (A): N 120.200 120.200 120.995 -0.795 RESID 179 (A): C 180.600 180.600 179.874 0.726 RESID 179 (A): CA 54.860 54.860 54.520 0.341 RESID 179 (A): CB 18.190 18.190 18.598 -0.408 RESID 179 (A): H 7.706 7.706 7.649 0.057 RESID 180 (A): N 121.800 121.800 121.794 0.006 RESID 180 (A): C 179.200 179.200 179.110 0.090 RESID 180 (A): CA 55.490 55.490 54.738 0.752 RESID 180 (A): CB 17.920 17.920 18.204 -0.284 RESID 180 (A): H 8.171 8.171 7.991 0.180 RESID 181 (K): N 118.100 118.100 117.989 0.111 RESID 181 (K): C 178.000 178.000 178.098 -0.098 RESID 181 (K): CA 59.830 59.830 59.227 0.603 RESID 181 (K): CB 33.340 33.340 32.641 0.699 RESID 181 (K): H 8.342 8.342 8.326 0.016 RESID 182 (E): N 114.400 114.400 116.513 -2.113 RESID 182 (E): C 177.300 177.300 177.428 -0.128 RESID 182 (E): CA 57.870 57.870 57.135 0.735 RESID 182 (E): CB 30.320 30.320 29.229 1.091 RESID 182 (E): H 7.153 7.153 7.708 -0.555 RESID 183 (Q): N 116.700 116.700 117.382 -0.682 RESID 183 (Q): C 177.200 177.200 176.170 1.030 RESID 183 (Q): CA 57.060 57.060 56.818 0.242 RESID 183 (Q): CB 31.550 31.550 31.141 0.409 RESID 183 (Q): H 7.458 7.458 7.640 -0.182 RESID 184 (I): N 117.800 117.800 115.872 1.928 RESID 184 (I): C 175.200 175.200 174.245 0.955 RESID 184 (I): CA 63.000 63.000 59.746 3.254 RESID 184 (I): CB 40.300 40.300 39.960 0.340 RESID 184 (I): H 7.723 7.723 7.432 0.291 RESID 185 (K): N 127.700 127.700 122.953 4.747 RESID 185 (K): C 175.600 175.600 175.626 -0.026 RESID 185 (K): CA 54.550 54.550 55.119 -0.569 RESID 185 (K): CB 31.600 31.600 34.510 -2.910 RESID 185 (K): H 8.743 8.743 7.915 0.828 RESID 186 (L): N 124.700 124.700 125.756 -1.056 RESID 186 (L): C 175.700 175.700 175.907 -0.207 RESID 186 (L): CA 54.240 54.240 51.880 2.360 RESID 186 (L): CB 41.050 41.050 40.667 0.383 RESID 186 (L): H 8.051 8.051 8.481 -0.430 RESID 188 (P): C 174.800 174.800 176.258 -1.458 RESID 188 (P): CA 65.060 65.060 63.580 1.480 RESID 188 (P): CB 32.670 32.670 31.664 1.006 RESID 189 (Q): N 121.300 121.300 121.091 0.209 RESID 189 (Q): C 174.800 174.800 172.917 1.883 RESID 189 (Q): CA 52.330 52.330 54.734 -2.404 RESID 189 (Q): CB 31.350 31.350 30.355 0.995 RESID 189 (Q): H 8.061 8.061 8.227 -0.166 RESID 190 (P): C 175.500 175.500 175.539 -0.039 RESID 190 (P): CA 62.820 62.820 62.479 0.341 RESID 190 (P): CB 35.450 35.450 32.814 2.636 RESID 191 (V): N 112.600 112.600 121.600 -9.000 RESID 191 (V): C 174.300 174.300 173.962 0.338 RESID 191 (V): CA 59.740 59.740 59.516 0.224 RESID 191 (V): CB 35.030 35.030 34.704 0.326 RESID 191 (V): H 9.214 9.214 8.553 0.661 RESID 192 (T): N 120.700 120.700 113.340 7.360 RESID 192 (T): C 172.300 172.300 172.089 0.211 RESID 192 (T): CA 63.030 63.030 59.520 3.510 RESID 192 (T): CB 71.550 71.550 71.259 0.291 RESID 192 (T): H 8.462 8.462 8.331 0.131 RESID 193 (A): N 132.900 132.900 122.981 9.919 RESID 193 (A): C 175.400 175.400 175.403 -0.003 RESID 193 (A): CA 50.570 50.570 51.130 -0.560 RESID 193 (A): CB 21.140 21.140 21.441 -0.301 RESID 193 (A): H 10.170 10.170 8.558 1.612 RESID 194 (I): N 115.400 115.400 117.499 -2.099 RESID 194 (I): C 176.600 176.600 173.709 2.891 RESID 194 (I): CA 59.540 59.540 59.994 -0.454 RESID 194 (I): CB 43.930 43.930 42.121 1.809 RESID 194 (I): H 9.269 9.269 8.527 0.742 RESID 195 (V): N 118.500 118.500 122.827 -4.327 RESID 195 (V): C 176.200 176.200 174.072 2.128 RESID 195 (V): CA 63.190 63.190 61.394 1.796 RESID 195 (V): CB 34.870 34.870 34.698 0.172 RESID 195 (V): H 8.484 8.484 8.650 -0.166 RESID 196 (Y): N 132.200 132.200 129.487 2.713 RESID 196 (Y): C 174.700 174.700 174.152 0.548 RESID 196 (Y): CA 57.000 57.000 57.417 -0.417 RESID 196 (Y): CB 41.250 41.250 40.220 1.030 RESID 196 (Y): H 9.989 9.989 8.984 1.005 RESID 197 (T): N 124.900 124.900 123.409 1.491 RESID 197 (T): C 174.300 174.300 173.372 0.928 RESID 197 (T): CA 60.740 60.740 60.632 0.108 RESID 197 (T): CB 68.560 68.560 71.612 -3.052 RESID 197 (T): H 8.262 8.262 7.839 0.423 RESID 198 (A): N 130.500 130.500 130.824 -0.324 RESID 198 (A): C 180.400 180.400 179.160 1.240 RESID 198 (A): CA 55.510 55.510 54.329 1.181 RESID 198 (A): CB 18.480 18.480 18.390 0.090 RESID 198 (A): H 8.524 8.524 8.848 -0.324 RESID 199 (A): N 118.700 118.700 123.453 -4.753 RESID 199 (A): C 177.700 177.700 178.725 -1.025 RESID 199 (A): CA 54.350 54.350 54.843 -0.493 RESID 199 (A): CB 18.350 18.350 17.972 0.378 RESID 199 (A): H 8.578 8.578 8.273 0.305 RESID 200 (A): N 116.700 116.700 120.552 -3.852 RESID 200 (A): C 176.600 176.600 177.236 -0.636 RESID 200 (A): CA 51.290 51.290 52.087 -0.797 RESID 200 (A): CB 20.180 20.180 18.845 1.335 RESID 200 (A): H 6.638 6.638 8.089 -1.451 RESID 201 (H): N 116.900 116.900 116.442 0.458 RESID 201 (H): C 172.900 172.900 173.388 -0.488 RESID 201 (H): CA 56.710 56.710 56.321 0.389 RESID 201 (H): CB 27.820 27.820 28.267 -0.447 RESID 201 (H): H 7.569 7.569 7.750 -0.181 RESID 202 (S): N 110.500 110.500 114.482 -3.982 RESID 202 (S): C 171.500 171.500 171.465 0.035 RESID 202 (S): CA 56.530 56.530 57.609 -1.079 RESID 202 (S): CB 66.170 66.170 66.323 -0.153 RESID 202 (S): H 7.109 7.109 7.803 -0.694 RESID 203 (A): N 120.900 120.900 123.879 -2.979 RESID 203 (A): C 174.900 174.900 175.282 -0.382 RESID 203 (A): CA 50.890 50.890 51.423 -0.533 RESID 203 (A): CB 24.510 24.510 22.216 2.293 RESID 203 (A): H 8.618 8.618 8.303 0.315 RESID 204 (N): N 118.900 118.900 118.848 0.052 RESID 204 (N): C 173.300 173.300 173.463 -0.163 RESID 204 (N): CA 51.520 51.520 52.077 -0.557 RESID 204 (N): CB 40.080 40.080 42.163 -2.083 RESID 204 (N): H 8.333 8.333 8.234 0.099 RESID 205 (L): N 127.200 127.200 121.752 5.448 RESID 205 (L): C 175.700 175.700 175.574 0.126 RESID 205 (L): CA 54.920 54.920 54.073 0.847 RESID 205 (L): CB 44.180 44.180 42.630 1.550 RESID 205 (L): H 9.265 9.265 7.616 1.649 RESID 206 (W): N 125.300 125.300 123.613 1.687 RESID 206 (W): C 177.100 177.100 176.062 1.038 RESID 206 (W): CA 56.630 56.630 57.481 -0.851 RESID 206 (W): CB 29.690 29.690 30.884 -1.194 RESID 206 (W): H 8.560 8.560 7.936 0.624 RESID 207 (T): N 112.000 112.000 110.143 1.857 RESID 207 (T): C 176.100 176.100 173.177 2.923 RESID 207 (T): CA 60.120 60.120 59.139 0.981 RESID 207 (T): CB 68.540 68.540 70.494 -1.954 RESID 207 (T): H 8.029 8.029 8.133 -0.104 RESID 208 (P): C 176.000 176.000 176.854 -0.854 RESID 208 (P): CA 66.120 66.120 65.398 0.722 RESID 208 (P): CB 31.950 31.950 32.166 -0.216 RESID 209 (E): N 112.300 112.300 115.029 -2.729 RESID 209 (E): C 177.100 177.100 176.810 0.290 RESID 209 (E): CA 57.280 57.280 57.216 0.064 RESID 209 (E): CB 29.760 29.760 30.145 -0.385 RESID 209 (E): H 7.612 7.612 7.964 -0.352 RESID 210 (S): N 115.800 115.800 115.091 0.709 RESID 210 (S): C 173.900 173.900 175.537 -1.637 RESID 210 (S): CA 58.060 58.060 59.153 -1.093 RESID 210 (S): CB 67.320 67.320 64.480 2.840 RESID 210 (S): H 7.654 7.654 7.432 0.222 RESID 211 (A): N 125.200 125.200 127.342 -2.142 RESID 211 (A): C 180.600 180.600 179.855 0.745 RESID 211 (A): CA 55.410 55.410 55.313 0.097 RESID 211 (A): CB 18.530 18.530 18.760 -0.230 RESID 211 (A): H 8.874 8.874 9.020 -0.146 RESID 212 (Q): N 119.200 119.200 118.627 0.573 RESID 212 (Q): C 177.100 177.100 178.015 -0.915 RESID 212 (Q): CA 61.410 61.410 58.965 2.445 RESID 212 (Q): CB 27.090 27.090 27.419 -0.330 RESID 212 (Q): H 8.493 8.493 8.476 0.017 RESID 213 (G): N 107.500 107.500 107.648 -0.148 RESID 213 (G): C 175.400 175.400 176.317 -0.917 RESID 213 (G): CA 47.520 47.520 46.825 0.695 RESID 213 (G): H 8.053 8.053 8.300 -0.247 RESID 214 (Q): N 120.700 120.700 121.469 -0.769 RESID 214 (Q): C 179.000 179.000 178.385 0.615 RESID 214 (Q): CA 59.150 59.150 58.859 0.291 RESID 214 (Q): CB 29.110 29.110 28.692 0.418 RESID 214 (Q): H 8.501 8.501 8.080 0.421 RESID 215 (M): N 119.200 119.200 120.622 -1.422 RESID 215 (M): C 177.800 177.800 178.173 -0.373 RESID 215 (M): CA 59.760 59.760 59.643 0.117 RESID 215 (M): CB 32.050 32.050 32.843 -0.793 RESID 215 (M): H 7.878 7.878 8.176 -0.298 RESID 216 (L): N 115.800 115.800 118.789 -2.989 RESID 216 (L): C 179.900 179.900 179.033 0.867 RESID 216 (L): CA 58.160 58.160 57.645 0.515 RESID 216 (L): CB 40.010 40.010 41.452 -1.442 RESID 216 (L): H 7.517 7.517 7.969 -0.452 RESID 217 (E): N 121.000 121.000 119.658 1.342 RESID 217 (E): C 182.200 182.200 179.245 2.955 RESID 217 (E): CA 60.210 60.210 58.929 1.281 RESID 217 (E): CB 29.150 29.150 29.419 -0.269 RESID 217 (E): H 8.377 8.377 8.160 0.217 RESID 218 (Q): N 122.300 122.300 117.082 5.218 RESID 218 (Q): C 178.100 178.100 178.861 -0.761 RESID 218 (Q): CA 59.220 59.220 58.247 0.973 RESID 218 (Q): CB 28.850 28.850 29.118 -0.268 RESID 218 (Q): H 8.464 8.464 7.918 0.546 RESID 219 (L): N 118.400 118.400 117.706 0.694 RESID 219 (L): C 175.200 175.200 177.452 -2.252 RESID 219 (L): CA 55.880 55.880 57.225 -1.345 RESID 219 (L): CB 44.330 44.330 42.875 1.455 RESID 219 (L): H 7.433 7.433 7.757 -0.324 RESID 220 (G): N 104.600 104.600 102.679 1.921 RESID 220 (G): C 174.700 174.700 172.934 1.766 RESID 220 (G): CA 44.750 44.750 44.687 0.063 RESID 220 (G): H 7.777 7.777 8.160 -0.383 RESID 221 (F): N 119.100 119.100 118.935 0.165 RESID 221 (F): C 175.200 175.200 174.342 0.858 RESID 221 (F): CA 57.900 57.900 55.962 1.938 RESID 221 (F): CB 38.930 38.930 42.758 -3.828 RESID 221 (F): H 8.001 8.001 7.778 0.223 RESID 222 (T): N 117.600 117.600 116.039 1.561 RESID 222 (T): C 173.900 173.900 173.389 0.511 RESID 222 (T): CA 61.790 61.790 61.171 0.619 RESID 222 (T): CB 71.360 71.360 69.722 1.639 RESID 222 (T): H 8.961 8.961 8.569 0.392 RESID 223 (L): N 128.300 128.300 127.096 1.204 RESID 223 (L): C 178.300 178.300 176.648 1.652 RESID 223 (L): CA 54.760 54.760 53.400 1.360 RESID 223 (L): CB 41.600 41.600 42.748 -1.148 RESID 223 (L): H 9.269 9.269 8.203 1.066 RESID 224 (A): N 126.800 126.800 128.087 -1.287 RESID 224 (A): C 177.400 177.400 175.856 1.544 RESID 224 (A): CA 52.460 52.460 50.977 1.483 RESID 224 (A): CB 18.650 18.650 20.849 -2.199 RESID 224 (A): H 9.077 9.077 8.100 0.977 RESID 225 (K): N 123.400 123.400 121.183 2.217 RESID 225 (K): C 176.800 176.800 176.192 0.608 RESID 225 (K): CA 55.600 55.600 55.583 0.017 RESID 225 (K): CB 33.080 33.080 32.900 0.180 RESID 225 (K): H 8.601 8.601 8.363 0.238 RESID 226 (L): N 126.200 126.200 128.017 -1.817 RESID 226 (L): C 175.500 175.500 175.608 -0.108 RESID 226 (L): CA 53.420 53.420 53.933 -0.513 RESID 226 (L): CB 41.720 41.720 41.247 0.473 RESID 226 (L): H 8.634 8.634 8.521 0.113 RESID 227 (P): C 176.800 176.800 177.061 -0.261 RESID 227 (P): CA 62.860 62.860 62.903 -0.043 RESID 227 (P): CB 32.360 32.360 32.182 0.178 RESID 228 (A): N 124.900 124.900 124.822 0.078 RESID 228 (A): C 179.500 179.500 178.455 1.045 RESID 228 (A): CA 54.120 54.120 53.383 0.737 RESID 228 (A): CB 18.710 18.710 18.705 0.005 RESID 228 (A): H 8.412 8.412 8.509 -0.097 RESID 229 (G): N 107.700 107.700 107.483 0.217 RESID 229 (G): C 175.000 175.000 175.999 -0.999 RESID 229 (G): CA 46.040 46.040 45.424 0.616 RESID 229 (G): H 8.565 8.565 8.091 0.474 RESID 230 (L): N 121.100 121.100 122.349 -1.249 RESID 230 (L): C 176.900 176.900 178.333 -1.433 RESID 230 (L): CA 55.620 55.620 55.534 0.086 RESID 230 (L): CB 42.630 42.630 41.685 0.945 RESID 230 (L): H 7.454 7.454 7.887 -0.433 RESID 231 (N): N 119.400 119.400 119.836 -0.436 RESID 231 (N): C 175.300 175.300 175.906 -0.606 RESID 231 (N): CA 53.650 53.650 56.141 -2.491 RESID 231 (N): CB 38.940 38.940 37.996 0.944 RESID 231 (N): H 8.211 8.211 8.044 0.167 RESID 232 (A): N 124.500 124.500 119.574 4.926 RESID 232 (A): C 178.100 178.100 178.055 0.045 RESID 232 (A): CA 53.110 53.110 51.685 1.425 RESID 232 (A): CB 19.340 19.340 18.040 1.300 RESID 232 (A): H 8.103 8.103 7.930 0.173 RESID 233 (S): N 115.200 115.200 115.256 -0.056 RESID 233 (S): C 175.100 175.100 175.583 -0.483 RESID 233 (S): CA 59.280 59.280 61.025 -1.745 RESID 233 (S): CB 64.280 64.280 63.335 0.945 RESID 233 (S): H 8.169 8.169 8.442 -0.273 RESID 234 (Q): N 122.100 122.100 120.622 1.478 RESID 234 (Q): C 176.400 176.400 175.697 0.703 RESID 234 (Q): CA 56.240 56.240 56.079 0.161 RESID 234 (Q): CB 29.490 29.490 30.802 -1.312 RESID 234 (Q): H 8.230 8.230 7.789 0.441 RESID 235 (S): N 117.100 117.100 118.093 -0.993 RESID 235 (S): C 174.900 174.900 174.649 0.251 RESID 235 (S): CA 58.910 58.910 58.867 0.043 RESID 235 (S): CB 64.510 64.510 62.891 1.619 RESID 235 (S): H 8.229 8.229 8.440 -0.211 RESID 236 (Q): N 122.300 122.300 127.145 -4.845 RESID 236 (Q): C 176.700 176.700 175.444 1.256 RESID 236 (Q): CA 56.610 56.610 55.507 1.103 RESID 236 (Q): CB 29.280 29.280 27.620 1.660 RESID 236 (Q): H 8.372 8.372 8.864 -0.492 RESID 237 (G): N 110.400 110.400 109.037 1.363 RESID 237 (G): C 174.100 174.100 172.956 1.144 RESID 237 (G): CA 45.720 45.720 45.480 0.240 RESID 237 (G): H 8.381 8.381 7.586 0.795 RESID 238 (K): N 120.500 120.500 121.482 -0.982 RESID 238 (K): C 176.600 176.600 175.486 1.114 RESID 238 (K): CA 56.490 56.490 56.003 0.487 RESID 238 (K): CB 33.320 33.320 32.761 0.559 RESID 238 (K): H 7.968 7.968 8.357 -0.389 RESID 239 (R): N 120.900 120.900 124.977 -4.077 RESID 239 (R): CA 56.130 56.130 55.934 0.195 RESID 239 (R): CB 31.560 31.560 30.908 0.652 RESID 239 (R): H 8.159 8.159 8.496 -0.337 RESID 240 (H): C 174.800 174.800 176.514 -1.714 RESID 240 (H): CA 55.740 55.740 58.796 -3.056 RESID 240 (H): CB 29.760 29.760 29.870 -0.110 RESID 241 (D): N 119.800 119.800 119.228 0.572 RESID 241 (D): C 174.700 174.700 176.271 -1.571 RESID 241 (D): CA 55.500 55.500 55.989 -0.489 RESID 241 (D): CB 40.550 40.550 41.221 -0.671 RESID 241 (D): H 9.052 9.052 8.394 0.658 RESID 242 (I): N 115.200 115.200 115.012 0.188 RESID 242 (I): C 175.600 175.600 174.399 1.201 RESID 242 (I): CA 59.090 59.090 59.399 -0.309 RESID 242 (I): CB 43.670 43.670 40.914 2.756 RESID 242 (I): H 7.087 7.087 7.411 -0.324 RESID 243 (I): N 125.100 125.100 126.155 -1.055 RESID 243 (I): C 175.300 175.300 174.273 1.027 RESID 243 (I): CA 60.340 60.340 60.643 -0.303 RESID 243 (I): CB 41.290 41.290 38.349 2.941 RESID 243 (I): H 8.746 8.746 8.526 0.220 RESID 244 (Q): N 128.400 128.400 127.545 0.855 RESID 244 (Q): C 175.300 175.300 174.260 1.040 RESID 244 (Q): CA 56.460 56.460 54.932 1.528 RESID 244 (Q): CB 29.800 29.800 29.774 0.026 RESID 244 (Q): H 8.768 8.768 8.594 0.174 RESID 245 (L): N 125.500 125.500 123.517 1.983 RESID 245 (L): C 176.200 176.200 176.610 -0.410 RESID 245 (L): CA 53.790 53.790 53.116 0.674 RESID 245 (L): CB 45.100 45.100 44.853 0.247 RESID 245 (L): H 8.640 8.640 8.342 0.298 RESID 246 (G): N 109.700 109.700 105.058 4.642 RESID 246 (G): C 174.200 174.200 174.330 -0.130 RESID 246 (G): CA 44.590 44.590 45.034 -0.444 RESID 246 (G): H 8.424 8.424 8.444 -0.020 RESID 247 (G): N 108.500 108.500 108.657 -0.157 RESID 247 (G): C 176.800 176.800 174.976 1.824 RESID 247 (G): CA 47.500 47.500 44.358 3.142 RESID 247 (G): H 8.666 8.666 7.739 0.927 RESID 248 (E): N 123.700 123.700 121.097 2.603 RESID 248 (E): C 177.300 177.300 176.506 0.794 RESID 248 (E): CA 58.560 58.560 57.498 1.062 RESID 248 (E): CB 29.330 29.330 29.191 0.139 RESID 248 (E): H 9.265 9.265 8.811 0.454 RESID 249 (N): N 116.700 116.700 116.525 0.175 RESID 249 (N): C 175.500 175.500 175.993 -0.493 RESID 249 (N): CA 53.490 53.490 53.605 -0.115 RESID 249 (N): CB 39.390 39.390 38.790 0.600 RESID 249 (N): H 7.963 7.963 7.688 0.275 RESID 250 (L): N 121.100 121.100 119.918 1.182 RESID 250 (L): C 177.100 177.100 178.090 -0.990 RESID 250 (L): CA 58.810 58.810 56.998 1.812 RESID 250 (L): CB 42.220 42.220 41.473 0.747 RESID 250 (L): H 7.104 7.104 7.786 -0.682 RESID 251 (A): N 117.400 117.400 122.440 -5.040 RESID 251 (A): C 179.500 179.500 178.166 1.334 RESID 251 (A): CA 55.340 55.340 54.659 0.681 RESID 251 (A): CB 17.960 17.960 18.389 -0.429 RESID 251 (A): H 8.141 8.141 8.314 -0.173 RESID 252 (A): N 117.400 117.400 118.619 -1.219 RESID 252 (A): C 179.100 179.100 178.326 0.774 RESID 252 (A): CA 53.990 53.990 52.402 1.588 RESID 252 (A): CB 18.970 18.970 18.956 0.014 RESID 252 (A): H 7.375 7.375 8.410 -1.035 RESID 253 (G): N 100.600 100.600 107.903 -7.303 RESID 253 (G): C 172.700 172.700 174.804 -2.104 RESID 253 (G): CA 45.380 45.380 45.021 0.359 RESID 253 (G): H 7.589 7.589 7.566 0.023 RESID 254 (L): N 124.800 124.800 122.845 1.955 RESID 254 (L): C 175.300 175.300 177.553 -2.253 RESID 254 (L): CA 53.020 53.020 54.874 -1.855 RESID 254 (L): CB 39.090 39.090 42.101 -3.011 RESID 254 (L): H 7.202 7.202 7.787 -0.585 RESID 255 (N): N 113.800 113.800 121.466 -7.666 RESID 255 (N): C 176.600 176.600 176.248 0.352 RESID 255 (N): CA 53.420 53.420 53.979 -0.559 RESID 255 (N): CB 37.600 37.600 38.831 -1.231 RESID 255 (N): H 7.701 7.701 8.840 -1.139 RESID 256 (G): N 109.100 109.100 106.619 2.481 RESID 256 (G): C 172.200 172.200 174.656 -2.456 RESID 256 (G): CA 45.790 45.790 45.323 0.467 RESID 256 (G): H 7.856 7.856 8.552 -0.696 RESID 257 (E): N 120.100 120.100 118.909 1.191 RESID 257 (E): C 176.900 176.900 175.604 1.296 RESID 257 (E): CA 57.880 57.880 56.639 1.241 RESID 257 (E): CB 29.760 29.760 30.567 -0.807 RESID 257 (E): H 8.443 8.443 8.652 -0.209 RESID 258 (S): N 107.500 107.500 113.675 -6.175 RESID 258 (S): C 172.500 172.500 172.422 0.078 RESID 258 (S): CA 58.010 58.010 58.550 -0.540 RESID 258 (S): CB 66.360 66.360 63.783 2.577 RESID 258 (S): H 7.176 7.176 8.021 -0.845 RESID 259 (L): N 124.900 124.900 127.609 -2.709 RESID 259 (L): C 173.900 173.900 176.463 -2.563 RESID 259 (L): CA 53.630 53.630 54.364 -0.734 RESID 259 (L): CB 46.240 46.240 42.391 3.849 RESID 259 (L): H 8.969 8.969 8.051 0.918 RESID 260 (F): N 123.700 123.700 123.000 0.700 RESID 260 (F): C 174.200 174.200 176.033 -1.833 RESID 260 (F): CA 56.460 56.460 54.952 1.508 RESID 260 (F): CB 41.560 41.560 40.490 1.070 RESID 260 (F): H 9.295 9.295 8.144 1.151 RESID 261 (L): N 123.900 123.900 120.144 3.756 RESID 261 (L): C 177.600 177.600 177.091 0.509 RESID 261 (L): CA 54.010 54.010 53.188 0.822 RESID 261 (L): CB 41.470 41.470 45.522 -4.052 RESID 261 (L): H 9.034 9.034 8.182 0.852 RESID 262 (F): N 123.800 123.800 122.253 1.547 RESID 262 (F): C 175.500 175.500 175.817 -0.317 RESID 262 (F): CA 58.850 58.850 56.976 1.874 RESID 262 (F): CB 39.930 39.930 38.504 1.426 RESID 262 (F): H 9.338 9.338 9.114 0.224 RESID 263 (A): N 121.900 121.900 124.120 -2.220 RESID 263 (A): C 175.300 175.300 177.029 -1.729 RESID 263 (A): CA 53.630 53.630 52.653 0.977 RESID 263 (A): CB 19.700 19.700 16.814 2.886 RESID 263 (A): H 8.902 8.902 8.300 0.602 RESID 264 (G): N 104.500 104.500 111.583 -7.083 RESID 264 (G): C 171.100 171.100 172.731 -1.631 RESID 264 (G): CA 45.540 45.540 45.059 0.481 RESID 264 (G): H 6.746 6.746 7.878 -1.132 RESID 265 (D): N 122.300 122.300 122.665 -0.365 RESID 265 (D): C 177.300 177.300 177.267 0.033 RESID 265 (D): CA 51.660 51.660 52.776 -1.117 RESID 265 (D): CB 42.840 42.840 42.255 0.585 RESID 265 (D): H 9.052 9.052 8.112 0.940 RESID 266 (Q): N 118.400 118.400 119.599 -1.199 RESID 266 (Q): C 177.600 177.600 177.452 0.148 RESID 266 (Q): CA 58.620 58.620 59.056 -0.436 RESID 266 (Q): CB 28.490 28.490 28.647 -0.157 RESID 266 (Q): H 8.277 8.277 8.606 -0.329 RESID 267 (K): N 117.700 117.700 118.775 -1.075 RESID 267 (K): C 180.400 180.400 178.083 2.317 RESID 267 (K): CA 59.390 59.390 59.545 -0.155 RESID 267 (K): CB 31.440 31.440 31.788 -0.348 RESID 267 (K): H 7.879 7.879 7.922 -0.043 RESID 268 (D): N 121.600 121.600 119.659 1.941 RESID 268 (D): C 177.400 177.400 178.339 -0.939 RESID 268 (D): CA 57.980 57.980 56.974 1.006 RESID 268 (D): CB 41.550 41.550 40.254 1.296 RESID 268 (D): H 7.640 7.640 8.115 -0.475 RESID 269 (A): N 121.700 121.700 121.476 0.224 RESID 269 (A): C 179.000 179.000 178.419 0.581 RESID 269 (A): CA 55.640 55.640 54.922 0.718 RESID 269 (A): CB 17.490 17.490 18.192 -0.702 RESID 269 (A): H 7.370 7.370 7.619 -0.249 RESID 270 (D): N 118.200 118.200 117.943 0.257 RESID 270 (D): C 179.300 179.300 176.513 2.787 RESID 270 (D): CA 57.570 57.570 56.306 1.264 RESID 270 (D): CB 39.860 39.860 40.247 -0.387 RESID 270 (D): H 8.735 8.735 7.950 0.785 RESID 271 (A): N 122.900 122.900 119.893 3.007 RESID 271 (A): C 180.800 180.800 179.327 1.473 RESID 271 (A): CA 55.040 55.040 53.567 1.473 RESID 271 (A): CB 18.300 18.300 19.318 -1.018 RESID 271 (A): H 7.579 7.579 7.040 0.539 RESID 272 (I): N 0.000 0.000 120.460 -120.460 RESID 272 (I): C 178.300 178.300 176.950 1.350 RESID 272 (I): CA 63.880 63.880 64.653 -0.772 RESID 272 (I): CB 35.710 35.710 38.126 -2.416 RESID 272 (I): H 7.340 7.340 8.395 -1.055 RESID 273 (Y): N 116.300 116.300 116.953 -0.653 RESID 273 (Y): C 177.000 177.000 176.756 0.244 RESID 273 (Y): CA 61.100 61.100 58.278 2.822 RESID 273 (Y): CB 37.770 37.770 35.847 1.923 RESID 273 (Y): H 7.509 7.509 7.294 0.215 RESID 274 (A): N 118.600 118.600 121.815 -3.215 RESID 274 (A): C 177.200 177.200 177.178 0.022 RESID 274 (A): CA 52.030 52.030 52.993 -0.963 RESID 274 (A): CB 19.580 19.580 19.426 0.154 RESID 274 (A): H 7.495 7.495 7.826 -0.331 RESID 275 (N): N 119.900 119.900 118.233 1.667 RESID 275 (N): C 175.700 175.700 174.011 1.689 RESID 275 (N): CA 51.030 51.030 51.388 -0.358 RESID 275 (N): CB 38.590 38.590 37.038 1.552 RESID 275 (N): H 7.200 7.200 7.956 -0.756 RESID 276 (P): C 178.900 178.900 178.493 0.407 RESID 276 (P): CA 65.190 65.190 65.448 -0.258 RESID 276 (P): CB 32.440 32.440 32.041 0.399 RESID 277 (L): N 116.700 116.700 117.439 -0.739 RESID 277 (L): C 178.000 178.000 178.917 -0.917 RESID 277 (L): CA 56.630 56.630 57.548 -0.918 RESID 277 (L): CB 41.720 41.720 41.509 0.211 RESID 277 (L): H 7.777 7.777 7.933 -0.156 RESID 278 (L): N 115.100 115.100 116.585 -1.485 RESID 278 (L): C 176.600 176.600 177.871 -1.271 RESID 278 (L): CA 53.200 53.200 54.930 -1.730 RESID 278 (L): CB 40.960 40.960 41.294 -0.334 RESID 278 (L): H 7.485 7.485 7.682 -0.197 RESID 279 (A): N 118.600 118.600 123.123 -4.523 RESID 279 (A): C 177.700 177.700 177.813 -0.113 RESID 279 (A): CA 55.090 55.090 54.375 0.715 RESID 279 (A): CB 19.710 19.710 18.602 1.108 RESID 279 (A): H 6.665 6.665 7.899 -1.234 RESID 280 (H): N 111.600 111.600 115.268 -3.668 RESID 280 (H): C 175.500 175.500 175.208 0.292 RESID 280 (H): CA 55.360 55.360 56.259 -0.899 RESID 280 (H): CB 29.540 29.540 28.653 0.887 RESID 280 (H): H 8.337 8.337 8.209 0.128 RESID 281 (L): N 124.100 124.100 122.504 1.596 RESID 281 (L): C 176.300 176.300 175.881 0.419 RESID 281 (L): CA 53.330 53.330 52.960 0.370 RESID 281 (L): CB 40.490 40.490 41.926 -1.436 RESID 281 (L): H 7.289 7.289 7.448 -0.159 RESID 282 (P): C 178.200 178.200 178.391 -0.191 RESID 282 (P): CA 66.050 66.050 65.713 0.337 RESID 282 (P): CB 32.150 32.150 31.715 0.435 RESID 283 (A): N 116.000 116.000 119.255 -3.255 RESID 283 (A): C 179.000 179.000 179.818 -0.818 RESID 283 (A): CA 55.630 55.630 55.194 0.437 RESID 283 (A): CB 19.490 19.490 18.176 1.314 RESID 283 (A): H 7.969 7.969 8.430 -0.461 RESID 284 (V): N 115.200 115.200 118.434 -3.234 RESID 284 (V): C 180.000 180.000 178.939 1.061 RESID 284 (V): CA 65.640 65.640 65.892 -0.252 RESID 284 (V): CB 32.560 32.560 30.820 1.740 RESID 284 (V): H 6.557 6.557 7.678 -1.121 RESID 285 (Q): N 121.200 121.200 120.471 0.729 RESID 285 (Q): C 178.000 178.000 177.667 0.333 RESID 285 (Q): CA 59.500 59.500 58.801 0.699 RESID 285 (Q): CB 29.080 29.080 28.613 0.468 RESID 285 (Q): H 8.581 8.581 7.823 0.758 RESID 286 (N): N 112.600 112.600 114.017 -1.417 RESID 286 (N): C 174.500 174.500 173.868 0.632 RESID 286 (N): CA 53.160 53.160 52.725 0.435 RESID 286 (N): CB 38.390 38.390 38.716 -0.326 RESID 286 (N): H 8.117 8.117 8.076 0.041 RESID 287 (K): N 118.500 118.500 115.845 2.655 RESID 287 (K): C 176.100 176.100 176.230 -0.130 RESID 287 (K): CA 57.540 57.540 57.293 0.247 RESID 287 (K): CB 28.570 28.570 29.591 -1.021 RESID 287 (K): H 7.724 7.724 7.696 0.028 RESID 288 (Q): N 119.700 119.700 117.244 2.456 RESID 288 (Q): C 173.700 173.700 174.083 -0.383 RESID 288 (Q): CA 52.970 52.970 54.787 -1.817 RESID 288 (Q): CB 28.640 28.640 28.678 -0.038 RESID 288 (Q): H 8.895 8.895 8.441 0.454 RESID 289 (V): N 119.200 119.200 118.738 0.462 RESID 289 (V): C 175.100 175.100 175.173 -0.073 RESID 289 (V): CA 61.600 61.600 61.111 0.489 RESID 289 (V): CB 32.610 32.610 34.093 -1.482 RESID 289 (V): H 6.246 6.246 6.916 -0.670 RESID 290 (Y): N 125.700 125.700 124.581 1.119 RESID 290 (Y): C 174.100 174.100 174.401 -0.301 RESID 290 (Y): CA 56.830 56.830 56.478 0.352 RESID 290 (Y): CB 40.950 40.950 42.723 -1.773 RESID 290 (Y): H 8.682 8.682 9.008 -0.326 RESID 291 (A): N 126.900 126.900 122.030 4.870 RESID 291 (A): C 178.300 178.300 176.749 1.551 RESID 291 (A): CA 51.560 51.560 50.387 1.173 RESID 291 (A): CB 19.670 19.670 21.247 -1.577 RESID 291 (A): H 9.057 9.057 8.654 0.403 RESID 292 (L): N 120.800 120.800 119.850 0.950 RESID 292 (L): C 175.500 175.500 176.227 -0.727 RESID 292 (L): CA 54.880 54.880 54.260 0.620 RESID 292 (L): CB 42.490 42.490 42.270 0.220 RESID 292 (L): H 8.342 8.342 8.929 -0.587 RESID 293 (G): N 107.500 107.500 103.818 3.682 RESID 293 (G): C 177.600 177.600 174.051 3.549 RESID 293 (G): CA 45.110 45.110 44.427 0.683 RESID 293 (G): H 7.973 7.973 7.383 0.590 RESID 294 (T): N 117.800 117.800 116.749 1.051 RESID 294 (T): C 176.400 176.400 176.015 0.385 RESID 294 (T): CA 65.260 65.260 65.292 -0.032 RESID 294 (T): CB 68.310 68.310 69.173 -0.863 RESID 294 (T): H 8.808 8.808 8.573 0.235 RESID 295 (E): N 122.100 122.100 119.890 2.210 RESID 295 (E): C 177.700 177.700 176.594 1.106 RESID 295 (E): CA 58.540 58.540 58.320 0.220 RESID 295 (E): CB 29.010 29.010 28.776 0.234 RESID 295 (E): H 10.380 10.380 8.842 1.538 RESID 296 (T): N 103.000 103.000 108.622 -5.622 RESID 296 (T): C 173.600 173.600 174.307 -0.707 RESID 296 (T): CA 62.320 62.320 61.224 1.097 RESID 296 (T): CB 69.170 69.170 67.756 1.414 RESID 296 (T): H 7.062 7.062 7.911 -0.849 RESID 297 (F): N 121.500 121.500 123.074 -1.574 RESID 297 (F): C 174.500 174.500 175.854 -1.354 RESID 297 (F): CA 61.700 61.700 61.059 0.641 RESID 297 (F): CB 39.640 39.640 39.780 -0.140 RESID 297 (F): H 8.108 8.108 7.808 0.300 RESID 298 (R): N 116.800 116.800 119.802 -3.002 RESID 298 (R): C 176.000 176.000 175.099 0.901 RESID 298 (R): CA 54.160 54.160 55.757 -1.597 RESID 298 (R): CB 32.460 32.460 31.088 1.372 RESID 298 (R): H 7.552 7.552 8.253 -0.701 RESID 299 (L): N 125.500 125.500 126.323 -0.823 RESID 299 (L): C 174.800 174.800 174.667 0.133 RESID 299 (L): CA 54.300 54.300 53.932 0.368 RESID 299 (L): CB 41.670 41.670 44.017 -2.347 RESID 299 (L): H 8.903 8.903 8.410 0.493 RESID 300 (D): N 124.600 124.600 124.184 0.416 RESID 300 (D): C 173.400 173.400 175.579 -2.179 RESID 300 (D): CA 51.880 51.880 53.243 -1.363 RESID 300 (D): CB 43.230 43.230 42.415 0.815 RESID 300 (D): H 7.735 7.735 8.761 -1.026 RESID 301 (Y): N 118.100 118.100 121.479 -3.379 RESID 301 (Y): C 175.300 175.300 176.204 -0.904 RESID 301 (Y): CA 61.650 61.650 63.316 -1.666 RESID 301 (Y): CB 38.740 38.740 38.705 0.035 RESID 301 (Y): H 7.943 7.943 8.999 -1.056 RESID 302 (Y): N 112.300 112.300 115.552 -3.252 RESID 302 (Y): C 180.800 180.800 177.708 3.092 RESID 302 (Y): CA 61.970 61.970 60.944 1.026 RESID 302 (Y): CB 37.990 37.990 38.078 -0.088 RESID 302 (Y): H 7.309 7.309 8.122 -0.813 RESID 303 (S): N 119.100 119.100 115.686 3.414 RESID 303 (S): C 176.300 176.300 176.568 -0.268 RESID 303 (S): CA 60.690 60.690 61.191 -0.501 RESID 303 (S): CB 63.180 63.180 62.121 1.059 RESID 303 (S): H 9.411 9.411 9.456 -0.045 RESID 304 (A): N 126.900 126.900 125.083 1.817 RESID 304 (A): C 180.400 180.400 179.395 1.005 RESID 304 (A): CA 56.000 56.000 55.309 0.691 RESID 304 (A): CB 18.040 18.040 17.795 0.245 RESID 304 (A): H 8.860 8.860 7.898 0.962 RESID 305 (M): N 116.600 116.600 118.000 -1.400 RESID 305 (M): C 179.300 179.300 178.822 0.478 RESID 305 (M): CA 57.880 57.880 59.541 -1.661 RESID 305 (M): CB 31.350 31.350 32.136 -0.786 RESID 305 (M): H 7.346 7.346 7.600 -0.254 RESID 306 (Q): N 119.300 119.300 118.812 0.488 RESID 306 (Q): C 179.000 179.000 178.839 0.161 RESID 306 (Q): CA 59.410 59.410 58.881 0.529 RESID 306 (Q): CB 28.450 28.450 28.824 -0.374 RESID 306 (Q): H 7.633 7.633 7.758 -0.125 RESID 308 (L): C 178.700 178.700 178.490 0.210 RESID 308 (L): CA 58.690 58.690 58.427 0.263 RESID 308 (L): CB 41.790 41.790 41.383 0.407 RESID 309 (D): N 119.100 119.100 119.058 0.042 RESID 309 (D): C 179.600 179.600 178.886 0.714 RESID 309 (D): CA 57.830 57.830 57.546 0.284 RESID 309 (D): CB 40.820 40.820 40.333 0.487 RESID 309 (D): H 7.984 7.984 8.025 -0.041 RESID 310 (R): N 121.700 121.700 120.612 1.088 RESID 310 (R): C 178.900 178.900 178.728 0.172 RESID 310 (R): CA 58.590 58.590 59.190 -0.600 RESID 310 (R): CB 29.820 29.820 30.149 -0.329 RESID 310 (R): H 8.463 8.463 7.600 0.863 RESID 311 (L): N 119.200 119.200 119.917 -0.717 RESID 311 (L): C 178.800 178.800 178.723 0.077 RESID 311 (L): CA 58.380 58.380 58.117 0.263 RESID 311 (L): CB 42.340 42.340 41.841 0.499 RESID 311 (L): H 8.489 8.489 8.325 0.164 RESID 312 (K): N 116.500 116.500 118.729 -2.229 RESID 312 (K): C 178.000 178.000 178.403 -0.403 RESID 312 (K): CA 59.250 59.250 59.176 0.074 RESID 312 (K): CB 32.440 32.440 32.492 -0.052 RESID 312 (K): H 7.955 7.955 8.169 -0.214 RESID 313 (A): N 119.500 119.500 120.764 -1.264 RESID 313 (A): C 180.000 180.000 178.670 1.330 RESID 313 (A): CA 53.920 53.920 53.294 0.626 RESID 313 (A): CB 18.800 18.800 19.248 -0.449 RESID 313 (A): H 7.427 7.427 7.739 -0.312 RESID 314 (L): N 119.500 119.500 119.165 0.335 RESID 314 (L): C 177.400 177.400 176.454 0.946 RESID 314 (L): CA 56.770 56.770 57.237 -0.467 RESID 314 (L): CB 43.730 43.730 42.355 1.375 RESID 314 (L): H 7.431 7.431 8.128 -0.697 N HA C CA CB H RESID 26 (W): -3.338 ----- -0.882 0.352 3.244 0.205 RESID 27 (P): ----- ----- 0.002 -0.297 4.946 ----- RESID 28 (R): -3.867 ----- -1.398 0.731 0.760 0.070 RESID 29 (Q): -0.844 ----- 0.592 -1.260 1.445 -0.079 RESID 30 (I): -1.797 ----- 0.585 -0.919 -0.494 1.082 RESID 31 (T): 3.211 ----- 0.728 -1.302 1.049 0.587 RESID 32 (D): 5.702 ----- 1.444 0.796 -0.485 1.410 RESID 33 (S): -4.415 ----- -0.582 0.441 -0.389 -0.213 RESID 34 (R): -2.390 ----- -0.630 -3.656 0.170 0.468 RESID 35 (G): 5.171 ----- -2.250 -0.503 ----- -0.758 RESID 36 (T): 0.131 ----- 0.784 0.027 -0.086 0.583 RESID 37 (H): 0.486 ----- 0.723 -1.271 -2.018 0.361 RESID 38 (T): 4.438 ----- 1.392 2.115 -1.247 1.607 RESID 39 (L): 7.205 ----- 0.101 0.513 -0.914 0.465 RESID 40 (E): -1.658 ----- -0.313 0.313 0.484 0.134 RESID 41 (S): -1.836 ----- -1.480 -0.895 0.589 -0.155 RESID 42 (Q): 3.274 ----- -0.153 -2.016 0.550 -1.266 RESID 43 (P): ----- ----- -0.365 0.793 0.090 ----- RESID 44 (Q): 2.630 ----- -0.623 -1.530 2.846 2.634 RESID 45 (R): 8.293 ----- 0.494 0.097 -0.078 2.462 RESID 47 (V): ----- ----- 0.228 -0.256 -0.169 ----- RESID 48 (S): -1.820 ----- 1.655 -1.980 -1.617 -0.738 RESID 49 (T): 4.254 ----- -3.039 0.986 -0.394 -0.319 RESID 50 (S): -0.319 ----- -0.612 -1.972 -0.149 -0.111 RESID 51 (V): 5.258 ----- -2.728 -0.395 -0.191 0.209 RESID 52 (T): 0.828 ----- 3.360 0.511 0.501 -0.181 RESID 53 (L): 1.437 ----- 0.523 -0.756 0.856 -0.521 RESID 54 (T): 1.777 ----- -1.734 -0.654 ----- -0.086 RESID 55 (G): -3.720 ----- -0.211 0.286 ----- -1.276 RESID 56 (S): -0.749 ----- -1.153 1.863 1.962 -1.244 RESID 58 (L): ----- ----- 1.769 -0.285 -0.118 ----- RESID 59 (A): -0.786 ----- -0.280 0.737 -0.311 -0.309 RESID 60 (I): ----- ----- -1.547 0.161 0.433 ----- RESID 61 (D): -2.444 ----- 0.238 0.045 -0.035 -0.007 RESID 62 (A): -3.172 ----- 2.693 -0.841 -1.652 0.098 RESID 63 (P): ----- ----- -2.116 0.626 -4.707 ----- RESID 64 (V): 3.762 ----- -0.913 -1.462 -0.755 0.432 RESID 65 (I): -4.421 ----- 1.542 -3.025 1.268 0.257 RESID 66 (A): 4.254 ----- -0.123 0.677 1.456 -0.423 RESID 67 (S): -5.104 ----- 2.275 -2.074 -2.416 0.233 RESID 68 (G): 5.625 ----- -1.612 2.065 ----- -1.048 RESID 69 (A): -3.696 ----- 2.672 -1.170 2.062 -0.818 RESID 70 (T): 5.470 ----- -2.727 -3.139 1.085 1.014 RESID 71 (T): -5.306 ----- -0.419 0.044 1.556 -0.805 RESID 72 (P): ----- ----- 0.968 -0.197 0.723 ----- RESID 73 (N): -4.548 ----- -1.629 0.730 -1.462 -0.703 RESID 74 (N): ----- ----- -1.220 4.971 0.336 ----- RESID 75 (R): -6.376 ----- -0.163 1.060 1.072 -0.289 RESID 76 (V): -10.174 ----- 0.032 -2.953 2.025 -0.828 RESID 77 (A): 5.799 ----- -1.052 -1.026 5.126 0.703 RESID 78 (D): 1.789 ----- 2.213 -0.936 0.367 0.430 RESID 79 (D): 0.861 ----- 0.286 1.080 0.883 -0.148 RESID 80 (Q): -4.353 ----- -1.181 -1.507 2.398 -0.178 RESID 81 (G): -0.007 ----- 0.852 0.950 ----- -0.646 RESID 82 (F): 0.621 ----- -0.442 -4.269 -2.640 0.294 RESID 83 (L): ----- ----- 0.946 0.333 -3.494 ----- RESID 84 (R): 0.313 ----- 0.761 3.466 1.649 -0.687 RESID 85 (Q): -2.620 ----- -2.685 0.211 -3.173 1.863 RESID 86 (W): -6.384 ----- -1.871 -5.153 -2.146 -1.967 RESID 87 (S): 3.954 ----- 1.468 0.468 ----- -1.275 RESID 88 (K): -3.943 ----- 0.166 0.461 -0.092 0.953 RESID 89 (V): 6.379 ----- 0.799 0.093 0.508 -0.659 RESID 90 (A): -0.455 ----- 1.060 1.329 1.303 0.650 RESID 91 (K): -0.424 ----- 3.020 0.993 -0.019 -0.288 RESID 92 (E): 5.018 ----- 1.502 2.268 -0.658 0.474 RESID 93 (R): -3.106 ----- 0.320 0.792 -1.516 -0.262 RESID 94 (K): 1.778 ----- 0.676 -0.647 -1.400 -0.730 RESID 95 (L): -1.082 ----- 0.281 0.738 1.024 0.069 RESID 96 (Q): 0.389 ----- -0.966 0.633 0.331 -0.878 RESID 97 (R): 6.443 ----- 0.588 -1.008 1.609 0.501 RESID 98 (L): 3.497 ----- -0.406 2.435 3.329 -0.439 RESID 99 (Y): -1.999 ----- -1.391 -0.838 -0.991 -1.354 RESID 100 (I): -6.188 ----- -0.341 -1.822 3.577 0.097 RESID 101 (G): 0.887 ----- -0.692 2.209 ----- -0.245 RESID 102 (E): 10.916 ----- -0.768 0.487 2.038 0.292 RESID 103 (P): ----- ----- -0.835 -1.379 -0.096 ----- RESID 104 (S): -5.214 ----- 0.173 -3.173 -0.075 -2.567 RESID 105 (A): 0.253 ----- 0.357 0.758 -0.903 0.330 RESID 106 (E): 0.350 ----- 0.441 1.237 -0.474 0.147 RESID 107 (A): -0.503 ----- 0.364 -0.283 0.780 -0.146 RESID 108 (V): -1.945 ----- -0.802 0.963 -0.303 -0.497 RESID 109 (A): -1.437 ----- 1.876 0.621 -0.139 0.139 RESID 110 (A): -0.749 ----- 0.263 -0.242 -0.026 -0.319 RESID 111 (Q): -1.077 ----- -1.048 0.883 -0.208 -0.291 RESID 112 (M): -6.138 ----- 0.064 0.373 -1.438 -0.051 RESID 113 (P): ----- ----- 0.449 0.223 0.391 ----- RESID 114 (D): -2.218 ----- -0.079 -2.092 -1.843 0.618 RESID 115 (L): ----- ----- 0.610 -1.400 ----- ----- RESID 116 (I): -2.808 ----- ----- -0.089 ----- 1.328 RESID 118 (I): ----- ----- -0.971 0.432 0.993 ----- RESID 119 (S): 0.435 ----- 0.594 -0.582 0.672 1.037 RESID 120 (A): 1.547 ----- -0.482 -0.046 1.520 -0.510 RESID 121 (T): -4.169 ----- -0.092 -2.450 1.606 -0.218 RESID 122 (G): -6.454 ----- 3.072 -0.763 ----- 0.158 RESID 123 (G): ----- ----- -0.211 1.048 ----- ----- RESID 124 (D): -2.425 ----- 0.975 -0.600 0.050 0.825 RESID 125 (S): -4.098 ----- 1.650 0.070 0.140 -1.106 RESID 126 (A): 4.723 ----- -1.953 -2.346 -2.234 0.255 RESID 127 (L): -0.031 ----- 0.542 1.471 1.233 -0.800 RESID 128 (A): 3.415 ----- 0.740 0.818 -0.495 1.289 RESID 129 (L): 0.571 ----- -0.890 -1.267 -0.378 0.360 RESID 130 (Y): -0.888 ----- 0.314 1.515 1.056 -1.097 RESID 131 (D): 1.169 ----- -0.092 0.624 0.298 0.919 RESID 132 (Q): -0.988 ----- 0.281 0.189 0.580 -0.140 RESID 133 (L): -0.313 ----- -0.715 0.333 -0.813 -0.466 RESID 134 (S): -3.203 ----- -0.494 0.324 0.786 -0.332 RESID 135 (T): -5.234 ----- -1.169 -2.038 0.657 -0.636 RESID 136 (I): 3.959 ----- 0.243 -0.051 0.347 0.417 RESID 137 (A): 1.951 ----- -1.618 -0.145 -0.137 -0.478 RESID 138 (P): ----- ----- -1.512 1.202 0.042 ----- RESID 139 (T): 1.966 ----- -0.088 -1.572 1.866 -0.173 RESID 140 (L): ----- ----- 0.595 -0.784 0.656 ----- RESID 141 (I): -2.280 ----- 1.125 -0.972 1.081 1.434 RESID 142 (I): 1.927 ----- 0.206 -1.937 -2.307 0.164 RESID 143 (N): 4.963 ----- 0.442 -1.935 0.115 0.712 RESID 144 (Y): -5.946 ----- 1.741 -3.641 -0.201 0.242 RESID 145 (D): 0.751 ----- 1.763 -0.205 3.334 0.439 RESID 146 (D): 4.107 ----- -0.055 -0.382 -1.692 -1.055 RESID 147 (K): -5.765 ----- -0.277 -1.550 -1.737 -0.554 RESID 148 (S): -0.498 ----- -0.381 -0.074 0.706 0.224 RESID 149 (W): 1.752 ----- 2.073 1.335 -0.728 -0.129 RESID 150 (Q): 3.169 ----- 0.284 3.380 -1.200 1.610 RESID 151 (S): 1.130 ----- 0.588 0.538 0.639 0.053 RESID 152 (L): 2.475 ----- 0.560 0.385 0.292 0.072 RESID 153 (L): 0.582 ----- 1.038 1.425 -0.098 0.936 RESID 154 (T): 3.507 ----- 0.307 1.307 0.532 0.150 RESID 155 (Q): 3.477 ----- 1.169 1.364 0.254 0.309 RESID 156 (L): ----- ----- 1.631 0.619 -0.124 ----- RESID 157 (G): 5.795 ----- -0.560 1.790 ----- 1.198 RESID 158 (E): 4.789 ----- 0.621 1.227 0.307 0.020 RESID 160 (T): ----- ----- 2.293 -1.163 2.643 ----- RESID 161 (G): -0.317 ----- 0.429 1.249 ----- -0.879 RESID 162 (H): 4.847 ----- -2.194 -0.532 -2.971 0.671 RESID 163 (E): 1.782 ----- 2.330 1.411 -0.432 1.536 RESID 164 (K): 0.231 ----- -0.090 -0.460 0.307 0.398 RESID 165 (Q): 2.179 ----- 0.665 2.025 -0.265 -0.483 RESID 166 (A): -1.332 ----- -1.427 1.320 0.224 -0.189 RESID 167 (A): -3.037 ----- 1.884 -0.157 -0.311 -1.019 RESID 168 (E): 1.524 ----- 0.470 0.001 0.453 0.320 RESID 170 (I): ----- ----- 0.006 1.587 1.355 ----- RESID 171 (A): -2.502 ----- 1.363 -0.349 0.150 -0.776 RESID 172 (Q): 2.567 ----- 0.619 0.705 -0.256 0.636 RESID 173 (F): -0.101 ----- -1.008 1.608 0.366 -0.298 RESID 174 (D): 0.886 ----- 1.418 0.543 -0.089 -0.268 RESID 175 (K): 1.087 ----- 1.164 -0.008 0.315 -0.066 RESID 176 (Q): 2.092 ----- 0.769 -0.476 -0.532 0.347 RESID 177 (L): 6.006 ----- -0.270 2.657 -0.161 1.206 RESID 178 (A): -1.072 ----- 1.377 0.194 0.093 -0.544 RESID 179 (A): -0.795 ----- 0.726 0.341 -0.408 0.057 RESID 180 (A): 0.006 ----- 0.090 0.752 -0.284 0.180 RESID 181 (K): 0.111 ----- -0.098 0.603 0.699 0.016 RESID 182 (E): -2.113 ----- -0.128 0.735 1.091 -0.555 RESID 183 (Q): -0.682 ----- 1.030 0.242 0.409 -0.182 RESID 184 (I): 1.928 ----- 0.955 3.254 0.340 0.291 RESID 185 (K): 4.747 ----- -0.026 -0.569 -2.910 0.828 RESID 186 (L): -1.056 ----- -0.207 2.360 0.383 -0.430 RESID 188 (P): ----- ----- -1.458 1.480 1.006 ----- RESID 189 (Q): 0.209 ----- 1.883 -2.404 0.995 -0.166 RESID 190 (P): ----- ----- -0.039 0.341 2.636 ----- RESID 191 (V): -9.000 ----- 0.338 0.224 0.326 0.661 RESID 192 (T): 7.360 ----- 0.211 3.510 0.291 0.131 RESID 193 (A): 9.919 ----- -0.003 -0.560 -0.301 1.612 RESID 194 (I): -2.099 ----- 2.891 -0.454 1.809 0.742 RESID 195 (V): -4.327 ----- 2.128 1.796 0.172 -0.166 RESID 196 (Y): 2.713 ----- 0.548 -0.417 1.030 1.005 RESID 197 (T): 1.491 ----- 0.928 0.108 -3.052 0.423 RESID 198 (A): -0.324 ----- 1.240 1.181 0.090 -0.324 RESID 199 (A): -4.753 ----- -1.025 -0.493 0.378 0.305 RESID 200 (A): -3.852 ----- -0.636 -0.797 1.335 -1.451 RESID 201 (H): 0.458 ----- -0.488 0.389 -0.447 -0.181 RESID 202 (S): -3.982 ----- 0.035 -1.079 -0.153 -0.694 RESID 203 (A): -2.979 ----- -0.382 -0.533 2.293 0.315 RESID 204 (N): 0.052 ----- -0.163 -0.557 -2.083 0.099 RESID 205 (L): 5.448 ----- 0.126 0.847 1.550 1.649 RESID 206 (W): 1.687 ----- 1.038 -0.851 -1.194 0.624 RESID 207 (T): 1.857 ----- 2.923 0.981 -1.954 -0.104 RESID 208 (P): ----- ----- -0.854 0.722 -0.216 ----- RESID 209 (E): -2.729 ----- 0.290 0.064 -0.385 -0.352 RESID 210 (S): 0.709 ----- -1.637 -1.093 2.840 0.222 RESID 211 (A): -2.142 ----- 0.745 0.097 -0.230 -0.146 RESID 212 (Q): 0.573 ----- -0.915 2.445 -0.330 0.017 RESID 213 (G): -0.148 ----- -0.917 0.695 ----- -0.247 RESID 214 (Q): -0.769 ----- 0.615 0.291 0.418 0.421 RESID 215 (M): -1.422 ----- -0.373 0.117 -0.793 -0.298 RESID 216 (L): -2.989 ----- 0.867 0.515 -1.442 -0.452 RESID 217 (E): 1.342 ----- 2.955 1.281 -0.269 0.217 RESID 218 (Q): 5.218 ----- -0.761 0.973 -0.268 0.546 RESID 219 (L): 0.694 ----- -2.252 -1.345 1.455 -0.324 RESID 220 (G): 1.921 ----- 1.766 0.063 ----- -0.383 RESID 221 (F): 0.165 ----- 0.858 1.938 -3.828 0.223 RESID 222 (T): 1.561 ----- 0.511 0.619 1.639 0.392 RESID 223 (L): 1.204 ----- 1.652 1.360 -1.148 1.066 RESID 224 (A): -1.287 ----- 1.544 1.483 -2.199 0.977 RESID 225 (K): 2.217 ----- 0.608 0.017 0.180 0.238 RESID 226 (L): -1.817 ----- -0.108 -0.513 0.473 0.113 RESID 227 (P): ----- ----- -0.261 -0.043 0.178 ----- RESID 228 (A): 0.078 ----- 1.045 0.737 0.005 -0.097 RESID 229 (G): 0.217 ----- -0.999 0.616 ----- 0.474 RESID 230 (L): -1.249 ----- -1.433 0.086 0.945 -0.433 RESID 231 (N): -0.436 ----- -0.606 -2.491 0.944 0.167 RESID 232 (A): 4.926 ----- 0.045 1.425 1.300 0.173 RESID 233 (S): -0.056 ----- -0.483 -1.745 0.945 -0.273 RESID 234 (Q): 1.478 ----- 0.703 0.161 -1.312 0.441 RESID 235 (S): -0.993 ----- 0.251 0.043 1.619 -0.211 RESID 236 (Q): -4.845 ----- 1.256 1.103 1.660 -0.492 RESID 237 (G): 1.363 ----- 1.144 0.240 ----- 0.795 RESID 238 (K): -0.982 ----- 1.114 0.487 0.559 -0.389 RESID 239 (R): -4.077 ----- ----- 0.195 0.652 -0.337 RESID 240 (H): ----- ----- -1.714 -3.056 -0.110 ----- RESID 241 (D): 0.572 ----- -1.571 -0.489 -0.671 0.658 RESID 242 (I): 0.188 ----- 1.201 -0.309 2.756 -0.324 RESID 243 (I): -1.055 ----- 1.027 -0.303 2.941 0.220 RESID 244 (Q): 0.855 ----- 1.040 1.528 0.026 0.174 RESID 245 (L): 1.983 ----- -0.410 0.674 0.247 0.298 RESID 246 (G): 4.642 ----- -0.130 -0.444 ----- -0.020 RESID 247 (G): -0.157 ----- 1.824 3.142 ----- 0.927 RESID 248 (E): 2.603 ----- 0.794 1.062 0.139 0.454 RESID 249 (N): 0.175 ----- -0.493 -0.115 0.600 0.275 RESID 250 (L): 1.182 ----- -0.990 1.812 0.747 -0.682 RESID 251 (A): -5.040 ----- 1.334 0.681 -0.429 -0.173 RESID 252 (A): -1.219 ----- 0.774 1.588 0.014 -1.035 RESID 253 (G): -7.303 ----- -2.104 0.359 ----- 0.023 RESID 254 (L): 1.955 ----- -2.253 -1.855 -3.011 -0.585 RESID 255 (N): -7.666 ----- 0.352 -0.559 -1.231 -1.139 RESID 256 (G): 2.481 ----- -2.456 0.467 ----- -0.696 RESID 257 (E): 1.191 ----- 1.296 1.241 -0.807 -0.209 RESID 258 (S): -6.175 ----- 0.078 -0.540 2.577 -0.845 RESID 259 (L): -2.709 ----- -2.563 -0.734 3.849 0.918 RESID 260 (F): 0.700 ----- -1.833 1.508 1.070 1.151 RESID 261 (L): 3.756 ----- 0.509 0.822 -4.052 0.852 RESID 262 (F): 1.547 ----- -0.317 1.874 1.426 0.224 RESID 263 (A): -2.220 ----- -1.729 0.977 2.886 0.602 RESID 264 (G): -7.083 ----- -1.631 0.481 ----- -1.132 RESID 265 (D): -0.365 ----- 0.033 -1.117 0.585 0.940 RESID 266 (Q): -1.199 ----- 0.148 -0.436 -0.157 -0.329 RESID 267 (K): -1.075 ----- 2.317 -0.155 -0.348 -0.043 RESID 268 (D): 1.941 ----- -0.939 1.006 1.296 -0.475 RESID 269 (A): 0.224 ----- 0.581 0.718 -0.702 -0.249 RESID 270 (D): 0.257 ----- 2.787 1.264 -0.387 0.785 RESID 271 (A): 3.007 ----- 1.473 1.473 -1.018 0.539 RESID 272 (I): -120.460 ----- 1.350 -0.772 -2.416 -1.055 RESID 273 (Y): -0.653 ----- 0.244 2.822 1.923 0.215 RESID 274 (A): -3.215 ----- 0.022 -0.963 0.154 -0.331 RESID 275 (N): 1.667 ----- 1.689 -0.358 1.552 -0.756 RESID 276 (P): ----- ----- 0.407 -0.258 0.399 ----- RESID 277 (L): -0.739 ----- -0.917 -0.918 0.211 -0.156 RESID 278 (L): -1.485 ----- -1.271 -1.730 -0.334 -0.197 RESID 279 (A): -4.523 ----- -0.113 0.715 1.108 -1.234 RESID 280 (H): -3.668 ----- 0.292 -0.899 0.887 0.128 RESID 281 (L): 1.596 ----- 0.419 0.370 -1.436 -0.159 RESID 282 (P): ----- ----- -0.191 0.337 0.435 ----- RESID 283 (A): -3.255 ----- -0.818 0.437 1.314 -0.461 RESID 284 (V): -3.234 ----- 1.061 -0.252 1.740 -1.121 RESID 285 (Q): 0.729 ----- 0.333 0.699 0.468 0.758 RESID 286 (N): -1.417 ----- 0.632 0.435 -0.326 0.041 RESID 287 (K): 2.655 ----- -0.130 0.247 -1.021 0.028 RESID 288 (Q): 2.456 ----- -0.383 -1.817 -0.038 0.454 RESID 289 (V): 0.462 ----- -0.073 0.489 -1.482 -0.670 RESID 290 (Y): 1.119 ----- -0.301 0.352 -1.773 -0.326 RESID 291 (A): 4.870 ----- 1.551 1.173 -1.577 0.403 RESID 292 (L): 0.950 ----- -0.727 0.620 0.220 -0.587 RESID 293 (G): 3.682 ----- 3.549 0.683 ----- 0.590 RESID 294 (T): 1.051 ----- 0.385 -0.032 -0.863 0.235 RESID 295 (E): 2.210 ----- 1.106 0.220 0.234 1.538 RESID 296 (T): -5.622 ----- -0.707 1.097 1.414 -0.849 RESID 297 (F): -1.574 ----- -1.354 0.641 -0.140 0.300 RESID 298 (R): -3.002 ----- 0.901 -1.597 1.372 -0.701 RESID 299 (L): -0.823 ----- 0.133 0.368 -2.347 0.493 RESID 300 (D): 0.416 ----- -2.179 -1.363 0.815 -1.026 RESID 301 (Y): -3.379 ----- -0.904 -1.666 0.035 -1.056 RESID 302 (Y): -3.252 ----- 3.092 1.026 -0.088 -0.813 RESID 303 (S): 3.414 ----- -0.268 -0.501 1.059 -0.045 RESID 304 (A): 1.817 ----- 1.005 0.691 0.245 0.962 RESID 305 (M): -1.400 ----- 0.478 -1.661 -0.786 -0.254 RESID 306 (Q): 0.488 ----- 0.161 0.529 -0.374 -0.125 RESID 308 (L): ----- ----- 0.210 0.263 0.407 ----- RESID 309 (D): 0.042 ----- 0.714 0.284 0.487 -0.041 RESID 310 (R): 1.088 ----- 0.172 -0.600 -0.329 0.863 RESID 311 (L): -0.717 ----- 0.077 0.263 0.499 0.164 RESID 312 (K): -2.229 ----- -0.403 0.074 -0.052 -0.214 RESID 313 (A): -1.264 ----- 1.330 0.626 -0.449 -0.312 RESID 314 (L): 0.335 ----- 0.946 -0.467 1.375 -0.697 DATA CS_STAT_INFO N RMS: 8.231 ppm Count: 256 Average Difference: 0.473 +/- 8.233 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.225 ppm Count: 281 Average Difference: -0.162 +/- 1.216 ppm DATA CS_STAT_INFO CA RMS: 1.340 ppm Count: 283 Average Difference: -0.098 +/- 1.339 ppm DATA CS_STAT_INFO CB RMS: 1.425 ppm Count: 260 Average Difference: -0.161 +/- 1.419 ppm DATA CS_STAT_INFO HN RMS: 0.717 ppm Count: 256 Average Difference: -0.020 +/- 0.718 ppm ############################################################################ For conformer 19: Atom Original Corrected SPARTA Difference RESID 25 (D): N 120.600 120.600 120.689 -0.089 RESID 25 (D): C 174.400 174.400 175.893 -1.493 RESID 25 (D): CA 55.230 55.230 52.998 2.232 RESID 25 (D): CB 41.340 41.340 41.864 -0.524 RESID 25 (D): H 8.275 8.275 8.196 0.079 RESID 26 (W): N 120.100 120.100 123.614 -3.514 RESID 26 (W): C 174.200 174.200 175.085 -0.885 RESID 26 (W): CA 55.330 55.330 55.028 0.303 RESID 26 (W): CB 31.090 31.090 27.899 3.191 RESID 26 (W): H 7.788 7.788 7.421 0.367 RESID 27 (P): C 175.900 175.900 175.888 0.012 RESID 27 (P): CA 62.800 62.800 63.075 -0.275 RESID 27 (P): CB 37.260 37.260 32.315 4.945 RESID 28 (R): N 118.000 118.000 121.803 -3.803 RESID 28 (R): C 173.700 173.700 175.097 -1.397 RESID 28 (R): CA 55.160 55.160 54.437 0.723 RESID 28 (R): CB 33.430 33.430 32.672 0.758 RESID 28 (R): H 8.686 8.686 8.628 0.058 RESID 29 (Q): N 120.800 120.800 121.634 -0.834 RESID 29 (Q): C 175.500 175.500 174.908 0.592 RESID 29 (Q): CA 54.780 54.780 56.039 -1.259 RESID 29 (Q): CB 30.700 30.700 29.271 1.429 RESID 29 (Q): H 8.506 8.506 8.590 -0.084 RESID 30 (I): N 124.300 124.300 126.087 -1.787 RESID 30 (I): C 175.700 175.700 175.071 0.629 RESID 30 (I): CA 58.520 58.520 59.428 -0.908 RESID 30 (I): CB 40.680 40.680 41.228 -0.548 RESID 30 (I): H 9.002 9.002 7.930 1.072 RESID 31 (T): N 125.200 125.200 121.961 3.239 RESID 31 (T): C 174.400 174.400 173.647 0.753 RESID 31 (T): CA 62.150 62.150 63.462 -1.312 RESID 31 (T): CB 70.640 70.640 69.594 1.046 RESID 31 (T): H 8.989 8.989 8.399 0.590 RESID 32 (D): N 129.500 129.500 124.071 5.429 RESID 32 (D): C 177.400 177.400 176.296 1.104 RESID 32 (D): CA 52.630 52.630 52.040 0.590 RESID 32 (D): CB 42.950 42.950 43.968 -1.018 RESID 32 (D): H 9.389 9.389 7.981 1.408 RESID 33 (S): N 111.900 111.900 116.374 -4.474 RESID 33 (S): C 175.600 175.600 176.163 -0.563 RESID 33 (S): CA 60.920 60.920 60.550 0.370 RESID 33 (S): CB 63.430 63.430 63.803 -0.373 RESID 33 (S): H 8.075 8.075 8.307 -0.232 RESID 34 (R): N 120.600 120.600 122.971 -2.371 RESID 34 (R): C 176.100 176.100 176.735 -0.635 RESID 34 (R): CA 55.020 55.020 58.672 -3.652 RESID 34 (R): CB 30.850 30.850 30.662 0.188 RESID 34 (R): H 8.433 8.433 8.052 0.381 RESID 35 (G): N 108.900 108.900 103.762 5.138 RESID 35 (G): C 171.200 171.200 173.454 -2.254 RESID 35 (G): CA 45.060 45.060 45.569 -0.508 RESID 35 (G): H 7.837 7.837 8.600 -0.763 RESID 36 (T): N 116.300 116.300 115.853 0.447 RESID 36 (T): C 173.800 173.800 172.856 0.944 RESID 36 (T): CA 62.670 62.670 62.582 0.088 RESID 36 (T): CB 70.000 70.000 70.188 -0.188 RESID 36 (T): H 8.192 8.192 7.658 0.534 RESID 37 (H): N 125.800 125.800 125.338 0.462 RESID 37 (H): C 174.000 174.000 173.266 0.734 RESID 37 (H): CA 54.060 54.060 55.354 -1.294 RESID 37 (H): CB 31.020 31.020 33.039 -2.019 RESID 37 (H): H 8.986 8.986 8.624 0.362 RESID 38 (T): N 121.500 121.500 117.345 4.155 RESID 38 (T): C 174.200 174.200 172.837 1.363 RESID 38 (T): CA 63.190 63.190 61.083 2.107 RESID 38 (T): CB 70.080 70.080 71.312 -1.232 RESID 38 (T): H 9.101 9.101 7.552 1.549 RESID 39 (L): N 129.600 129.600 122.430 7.170 RESID 39 (L): C 176.900 176.900 176.807 0.093 RESID 39 (L): CA 53.990 53.990 53.473 0.517 RESID 39 (L): CB 43.160 43.160 44.048 -0.888 RESID 39 (L): H 9.145 9.145 8.708 0.437 RESID 40 (E): N 124.300 124.300 125.901 -1.601 RESID 40 (E): C 175.600 175.600 175.919 -0.319 RESID 40 (E): CA 59.420 59.420 59.127 0.293 RESID 40 (E): CB 30.710 30.710 30.227 0.483 RESID 40 (E): H 9.164 9.164 9.030 0.134 RESID 41 (S): N 108.300 108.300 110.179 -1.879 RESID 41 (S): C 171.700 171.700 173.192 -1.492 RESID 41 (S): CA 56.270 56.270 57.182 -0.912 RESID 41 (S): CB 65.420 65.420 64.805 0.615 RESID 41 (S): H 7.326 7.326 7.483 -0.157 RESID 42 (Q): N 123.900 123.900 120.565 3.335 RESID 42 (Q): C 174.600 174.600 174.751 -0.151 RESID 42 (Q): CA 53.730 53.730 55.741 -2.011 RESID 42 (Q): CB 28.470 28.470 27.934 0.536 RESID 42 (Q): H 7.339 7.339 8.594 -1.255 RESID 43 (P): C 176.300 176.300 176.684 -0.384 RESID 43 (P): CA 64.080 64.080 63.289 0.791 RESID 43 (P): CB 32.510 32.510 32.429 0.081 RESID 44 (Q): N 125.100 125.100 122.482 2.618 RESID 44 (Q): C 175.400 175.400 176.039 -0.639 RESID 44 (Q): CA 55.780 55.780 57.353 -1.573 RESID 44 (Q): CB 32.660 32.660 29.746 2.914 RESID 44 (Q): H 11.160 11.160 8.540 2.620 RESID 45 (R): N 125.700 125.700 117.454 8.246 RESID 45 (R): C 174.600 174.600 174.105 0.495 RESID 45 (R): CA 55.310 55.310 55.227 0.083 RESID 45 (R): CB 33.070 33.070 33.066 0.003 RESID 45 (R): H 10.010 10.010 7.569 2.441 RESID 47 (V): C 174.700 174.700 174.351 0.349 RESID 47 (V): CA 60.970 60.970 61.228 -0.258 RESID 47 (V): CB 34.140 34.140 34.385 -0.245 RESID 48 (S): N 118.300 118.300 120.269 -1.969 RESID 48 (S): C 175.500 175.500 173.577 1.923 RESID 48 (S): CA 55.700 55.700 57.610 -1.910 RESID 48 (S): CB 64.750 64.750 65.858 -1.108 RESID 48 (S): H 7.852 7.852 8.503 -0.651 RESID 49 (T): N 116.800 116.800 112.668 4.132 RESID 49 (T): C 171.500 171.500 174.418 -2.918 RESID 49 (T): CA 62.400 62.400 61.431 0.969 RESID 49 (T): CB 69.320 69.320 69.700 -0.380 RESID 49 (T): H 8.283 8.283 8.648 -0.365 RESID 50 (S): N 116.200 116.200 116.586 -0.386 RESID 50 (S): C 174.600 174.600 175.183 -0.583 RESID 50 (S): CA 54.640 54.640 56.629 -1.989 RESID 50 (S): CB 64.000 64.000 64.086 -0.086 RESID 50 (S): H 7.627 7.627 7.728 -0.101 RESID 51 (V): N 134.300 134.300 129.040 5.260 RESID 51 (V): C 175.100 175.100 177.824 -2.724 RESID 51 (V): CA 65.620 65.620 66.052 -0.432 RESID 51 (V): CB 31.790 31.790 31.983 -0.193 RESID 51 (V): H 9.218 9.218 8.983 0.235 RESID 52 (T): N 117.000 117.000 116.160 0.840 RESID 52 (T): C 179.700 179.700 176.311 3.389 RESID 52 (T): CA 67.390 67.390 66.914 0.476 RESID 52 (T): CB 69.130 69.130 68.644 0.486 RESID 52 (T): H 7.841 7.841 8.007 -0.166 RESID 53 (L): N 123.400 123.400 121.947 1.453 RESID 53 (L): C 178.700 178.700 178.173 0.527 RESID 53 (L): CA 57.460 57.460 58.202 -0.742 RESID 53 (L): CB 42.610 42.610 41.743 0.867 RESID 53 (L): H 8.092 8.092 8.593 -0.501 RESID 54 (T): N 117.500 117.500 115.712 1.788 RESID 54 (T): C 174.900 174.900 176.637 -1.737 RESID 54 (T): CA 67.070 67.070 67.719 -0.649 RESID 54 (T): H 8.039 8.039 8.122 -0.083 RESID 55 (G): N 105.500 105.500 109.181 -3.681 RESID 55 (G): C 175.600 175.600 175.779 -0.179 RESID 55 (G): CA 47.260 47.260 46.948 0.312 RESID 55 (G): H 6.591 6.591 7.868 -1.277 RESID 56 (S): N 117.000 117.000 117.777 -0.777 RESID 56 (S): C 175.600 175.600 176.757 -1.157 RESID 56 (S): CA 63.400 63.400 61.423 1.977 RESID 56 (S): CB 65.060 65.060 63.083 1.977 RESID 56 (S): H 6.709 6.709 7.963 -1.254 RESID 58 (L): C 181.200 181.200 179.424 1.776 RESID 58 (L): CA 57.480 57.480 57.766 -0.286 RESID 58 (L): CB 40.810 40.810 40.904 -0.094 RESID 59 (A): N 122.100 122.100 122.837 -0.737 RESID 59 (A): C 178.500 178.500 178.811 -0.311 RESID 59 (A): CA 55.540 55.540 54.795 0.745 RESID 59 (A): CB 18.440 18.440 18.764 -0.324 RESID 59 (A): H 7.797 7.797 8.088 -0.291 RESID 60 (I): C 172.700 172.700 174.240 -1.540 RESID 60 (I): CA 60.390 60.390 60.229 0.161 RESID 60 (I): CB 37.930 37.930 37.473 0.457 RESID 61 (D): N 116.200 116.200 118.589 -2.389 RESID 61 (D): C 174.800 174.800 174.561 0.239 RESID 61 (D): CA 55.850 55.850 55.801 0.049 RESID 61 (D): CB 38.930 38.930 38.966 -0.036 RESID 61 (D): H 7.736 7.736 7.731 0.005 RESID 62 (A): N 118.900 118.900 122.023 -3.123 RESID 62 (A): C 176.800 176.800 174.115 2.685 RESID 62 (A): CA 50.040 50.040 50.885 -0.845 RESID 62 (A): CB 17.940 17.940 19.565 -1.625 RESID 62 (A): H 7.820 7.820 7.726 0.094 RESID 63 (P): C 173.600 173.600 175.713 -2.113 RESID 63 (P): CA 63.250 63.250 62.645 0.605 RESID 63 (P): CB 27.640 27.640 32.343 -4.703 RESID 64 (V): N 123.100 123.100 119.239 3.861 RESID 64 (V): C 174.800 174.800 175.719 -0.919 RESID 64 (V): CA 58.420 58.420 59.874 -1.454 RESID 64 (V): CB 33.300 33.300 34.084 -0.784 RESID 64 (V): H 8.299 8.299 7.864 0.435 RESID 65 (I): N 122.000 122.000 126.204 -4.204 RESID 65 (I): C 177.100 177.100 176.008 1.092 RESID 65 (I): CA 61.010 61.010 63.998 -2.988 RESID 65 (I): CB 39.480 39.480 38.151 1.329 RESID 65 (I): H 8.589 8.589 8.356 0.233 RESID 66 (A): N 120.700 120.700 117.404 3.296 RESID 66 (A): C 175.100 175.100 175.125 -0.025 RESID 66 (A): CA 51.300 51.300 50.704 0.596 RESID 66 (A): CB 22.980 22.980 21.558 1.422 RESID 66 (A): H 7.246 7.246 7.679 -0.433 RESID 67 (S): N 111.700 111.700 116.756 -5.056 RESID 67 (S): C 176.500 176.500 174.243 2.257 RESID 67 (S): CA 55.230 55.230 57.311 -2.081 RESID 67 (S): CB 65.300 65.300 67.730 -2.430 RESID 67 (S): H 8.561 8.561 8.324 0.237 RESID 68 (G): N 112.900 112.900 107.254 5.646 RESID 68 (G): C 171.000 171.000 172.605 -1.605 RESID 68 (G): CA 46.580 46.580 44.485 2.095 RESID 68 (G): H 7.604 7.604 8.654 -1.050 RESID 69 (A): N 122.300 122.300 125.043 -2.743 RESID 69 (A): C 177.900 177.900 175.294 2.606 RESID 69 (A): CA 51.280 51.280 52.028 -0.748 RESID 69 (A): CB 23.440 23.440 20.918 2.522 RESID 69 (A): H 7.402 7.402 8.244 -0.842 RESID 70 (T): N 119.600 119.600 113.801 5.799 RESID 70 (T): C 171.400 171.400 174.033 -2.633 RESID 70 (T): CA 58.150 58.150 60.468 -2.318 RESID 70 (T): CB 70.880 70.880 69.687 1.193 RESID 70 (T): H 9.171 9.171 8.242 0.929 RESID 71 (T): N 116.500 116.500 121.285 -4.785 RESID 71 (T): C 172.500 172.500 172.873 -0.373 RESID 71 (T): CA 61.680 61.680 61.462 0.218 RESID 71 (T): CB 70.490 70.490 68.994 1.496 RESID 71 (T): H 7.663 7.663 8.522 -0.859 RESID 72 (P): C 177.100 177.100 176.133 0.967 RESID 72 (P): CA 63.390 63.390 63.602 -0.212 RESID 72 (P): CB 32.940 32.940 32.214 0.726 RESID 73 (N): N 115.200 115.200 119.800 -4.600 RESID 73 (N): C 174.600 174.600 176.226 -1.626 RESID 73 (N): CA 54.570 54.570 53.833 0.737 RESID 73 (N): CB 37.020 37.020 38.481 -1.462 RESID 73 (N): H 7.990 7.990 8.696 -0.706 RESID 74 (N): C 175.800 175.800 176.948 -1.148 RESID 74 (N): CA 60.660 60.660 55.654 5.006 RESID 74 (N): CB 38.070 38.070 37.722 0.347 RESID 75 (R): N 114.600 114.600 120.920 -6.320 RESID 75 (R): C 177.400 177.400 177.553 -0.153 RESID 75 (R): CA 59.940 59.940 58.853 1.087 RESID 75 (R): CB 31.110 31.110 30.066 1.044 RESID 75 (R): H 8.049 8.049 8.339 -0.290 RESID 76 (V): N 107.100 107.100 117.377 -10.277 RESID 76 (V): C 176.000 176.000 175.928 0.072 RESID 76 (V): CA 61.110 61.110 64.019 -2.909 RESID 76 (V): CB 33.590 33.590 31.553 2.037 RESID 76 (V): H 7.356 7.356 8.184 -0.828 RESID 77 (A): N 126.900 126.900 121.010 5.890 RESID 77 (A): C 176.500 176.500 177.577 -1.077 RESID 77 (A): CA 51.390 51.390 52.419 -1.030 RESID 77 (A): CB 24.260 24.260 19.144 5.116 RESID 77 (A): H 7.873 7.873 7.150 0.723 RESID 78 (D): N 118.700 118.700 116.920 1.780 RESID 78 (D): C 178.100 178.100 175.891 2.209 RESID 78 (D): CA 51.970 51.970 52.914 -0.944 RESID 78 (D): CB 41.360 41.360 41.000 0.360 RESID 78 (D): H 8.607 8.607 8.176 0.431 RESID 79 (D): N 116.600 116.600 115.751 0.849 RESID 79 (D): C 176.400 176.400 176.120 0.280 RESID 79 (D): CA 56.030 56.030 54.957 1.073 RESID 79 (D): CB 40.100 40.100 39.232 0.868 RESID 79 (D): H 8.258 8.258 8.424 -0.166 RESID 80 (Q): N 117.200 117.200 121.578 -4.378 RESID 80 (Q): C 175.700 175.700 176.885 -1.185 RESID 80 (Q): CA 54.970 54.970 56.491 -1.521 RESID 80 (Q): CB 30.840 30.840 28.440 2.400 RESID 80 (Q): H 8.160 8.160 8.336 -0.176 RESID 81 (G): N 105.300 105.300 105.307 -0.007 RESID 81 (G): C 174.200 174.200 173.350 0.850 RESID 81 (G): CA 45.740 45.740 44.796 0.944 RESID 81 (G): H 7.419 7.419 8.067 -0.648 RESID 82 (F): N 121.700 121.700 121.087 0.613 RESID 82 (F): C 175.300 175.300 175.735 -0.435 RESID 82 (F): CA 52.530 52.530 56.796 -4.266 RESID 82 (F): CB 37.430 37.430 40.051 -2.622 RESID 82 (F): H 8.154 8.154 7.857 0.297 RESID 83 (L): C 178.400 178.400 177.442 0.958 RESID 83 (L): CA 55.550 55.550 55.193 0.357 RESID 83 (L): CB 38.480 38.480 41.971 -3.491 RESID 84 (R): N 119.000 119.000 118.685 0.315 RESID 84 (R): C 178.300 178.300 177.541 0.759 RESID 84 (R): CA 60.690 60.690 57.235 3.455 RESID 84 (R): CB 31.530 31.530 29.883 1.647 RESID 84 (R): H 7.746 7.746 8.431 -0.685 RESID 85 (Q): N 116.400 116.400 118.980 -2.580 RESID 85 (Q): C 174.700 174.700 177.374 -2.674 RESID 85 (Q): CA 58.200 58.200 57.989 0.211 RESID 85 (Q): CB 26.140 26.140 29.310 -3.170 RESID 85 (Q): H 9.838 9.838 7.973 1.865 RESID 86 (W): N 115.600 115.600 122.109 -6.509 RESID 86 (W): C 175.900 175.900 177.677 -1.777 RESID 86 (W): CA 55.320 55.320 60.390 -5.070 RESID 86 (W): CB 27.470 27.470 29.539 -2.069 RESID 86 (W): H 6.600 6.600 8.542 -1.942 RESID 87 (S): N 118.500 118.500 114.776 3.724 RESID 87 (S): C 177.300 177.300 175.850 1.450 RESID 87 (S): CA 62.340 62.340 61.701 0.639 RESID 87 (S): H 7.067 7.067 8.328 -1.261 RESID 88 (K): N 118.300 118.300 122.237 -3.937 RESID 88 (K): C 179.000 179.000 178.823 0.177 RESID 88 (K): CA 59.970 59.970 59.493 0.477 RESID 88 (K): CB 32.380 32.380 32.468 -0.088 RESID 88 (K): H 8.615 8.615 7.632 0.983 RESID 89 (V): N 120.600 120.600 114.269 6.331 RESID 89 (V): C 178.100 178.100 177.298 0.802 RESID 89 (V): CA 65.530 65.530 65.449 0.081 RESID 89 (V): CB 32.180 32.180 31.679 0.501 RESID 89 (V): H 7.089 7.089 7.785 -0.696 RESID 90 (A): N 120.700 120.700 121.116 -0.416 RESID 90 (A): C 180.000 180.000 178.916 1.084 RESID 90 (A): CA 55.490 55.490 54.119 1.371 RESID 90 (A): CB 19.130 19.130 17.688 1.442 RESID 90 (A): H 7.979 7.979 7.295 0.684 RESID 91 (K): N 117.600 117.600 118.019 -0.419 RESID 91 (K): C 180.900 180.900 177.879 3.021 RESID 91 (K): CA 59.830 59.830 58.829 1.001 RESID 91 (K): CB 32.700 32.700 32.698 0.002 RESID 91 (K): H 7.844 7.844 8.096 -0.252 RESID 92 (E): N 122.300 122.300 117.233 5.067 RESID 92 (E): C 178.600 178.600 177.093 1.507 RESID 92 (E): CA 59.590 59.590 57.302 2.288 RESID 92 (E): CB 29.740 29.740 30.402 -0.662 RESID 92 (E): H 8.178 8.178 7.697 0.481 RESID 93 (R): N 115.300 115.300 118.438 -3.138 RESID 93 (R): C 175.000 175.000 174.672 0.328 RESID 93 (R): CA 56.320 56.320 55.531 0.789 RESID 93 (R): CB 29.390 29.390 30.916 -1.526 RESID 93 (R): H 7.776 7.776 8.049 -0.273 RESID 94 (K): N 116.800 116.800 115.793 1.007 RESID 94 (K): C 176.400 176.400 175.840 0.560 RESID 94 (K): CA 56.950 56.950 57.606 -0.656 RESID 94 (K): CB 28.870 28.870 30.365 -1.495 RESID 94 (K): H 7.697 7.697 8.374 -0.677 RESID 95 (L): N 120.600 120.600 122.421 -1.821 RESID 95 (L): C 177.200 177.200 176.841 0.359 RESID 95 (L): CA 56.710 56.710 55.804 0.905 RESID 95 (L): CB 43.480 43.480 42.307 1.173 RESID 95 (L): H 7.708 7.708 7.650 0.058 RESID 96 (Q): N 124.900 124.900 124.266 0.634 RESID 96 (Q): C 175.000 175.000 176.215 -1.215 RESID 96 (Q): CA 55.570 55.570 54.892 0.678 RESID 96 (Q): CB 30.080 30.080 29.807 0.273 RESID 96 (Q): H 7.526 7.526 8.407 -0.881 RESID 97 (R): N 126.000 126.000 119.546 6.454 RESID 97 (R): C 176.800 176.800 176.232 0.568 RESID 97 (R): CA 55.610 55.610 56.663 -1.053 RESID 97 (R): CB 31.840 31.840 30.223 1.617 RESID 97 (R): H 9.039 9.039 8.544 0.495 RESID 98 (L): N 126.500 126.500 123.004 3.496 RESID 98 (L): C 175.400 175.400 175.811 -0.411 RESID 98 (L): CA 56.610 56.610 54.178 2.432 RESID 98 (L): CB 47.140 47.140 43.821 3.319 RESID 98 (L): H 8.247 8.247 8.721 -0.474 RESID 99 (Y): N 110.000 110.000 112.097 -2.097 RESID 99 (Y): C 173.200 173.200 174.590 -1.390 RESID 99 (Y): CA 55.320 55.320 56.136 -0.817 RESID 99 (Y): CB 38.350 38.350 39.349 -0.999 RESID 99 (Y): H 6.465 6.465 7.826 -1.361 RESID 100 (I): N 120.000 120.000 126.216 -6.216 RESID 100 (I): C 176.800 176.800 177.144 -0.344 RESID 100 (I): CA 61.290 61.290 63.082 -1.792 RESID 100 (I): CB 39.980 39.980 36.385 3.595 RESID 100 (I): H 8.725 8.725 8.617 0.108 RESID 101 (G): N 114.800 114.800 113.931 0.869 RESID 101 (G): C 173.400 173.400 174.100 -0.700 RESID 101 (G): CA 47.030 47.030 44.821 2.209 RESID 101 (G): H 8.224 8.224 8.482 -0.258 RESID 102 (E): N 129.600 129.600 118.702 10.898 RESID 102 (E): C 173.700 173.700 174.486 -0.786 RESID 102 (E): CA 54.480 54.480 54.006 0.474 RESID 102 (E): CB 29.790 29.790 27.757 2.033 RESID 102 (E): H 8.294 8.294 8.007 0.287 RESID 103 (P): C 175.400 175.400 176.244 -0.844 RESID 103 (P): CA 62.040 62.040 63.431 -1.391 RESID 103 (P): CB 32.570 32.570 32.665 -0.095 RESID 104 (S): N 111.900 111.900 117.147 -5.247 RESID 104 (S): C 174.800 174.800 174.646 0.154 RESID 104 (S): CA 55.340 55.340 58.514 -3.174 RESID 104 (S): CB 64.330 64.330 64.420 -0.090 RESID 104 (S): H 5.412 5.412 7.978 -2.566 RESID 105 (A): N 130.200 130.200 129.940 0.260 RESID 105 (A): C 179.400 179.400 179.047 0.353 RESID 105 (A): CA 55.070 55.070 54.329 0.741 RESID 105 (A): CB 18.210 18.210 19.103 -0.893 RESID 105 (A): H 9.211 9.211 8.884 0.327 RESID 106 (E): N 119.800 119.800 119.418 0.382 RESID 106 (E): C 179.300 179.300 178.857 0.443 RESID 106 (E): CA 60.270 60.270 59.022 1.248 RESID 106 (E): CB 28.990 28.990 29.462 -0.472 RESID 106 (E): H 8.731 8.731 8.593 0.138 RESID 107 (A): N 121.600 121.600 122.384 -0.784 RESID 107 (A): C 180.100 180.100 179.783 0.317 RESID 107 (A): CA 54.650 54.650 55.081 -0.431 RESID 107 (A): CB 19.220 19.220 18.371 0.849 RESID 107 (A): H 7.682 7.682 7.842 -0.160 RESID 108 (V): N 116.600 116.600 118.292 -1.692 RESID 108 (V): C 177.700 177.700 178.635 -0.935 RESID 108 (V): CA 66.920 66.920 65.770 1.150 RESID 108 (V): CB 31.430 31.430 31.095 0.335 RESID 108 (V): H 7.015 7.015 7.546 -0.531 RESID 109 (A): N 121.400 121.400 123.352 -1.952 RESID 109 (A): C 181.100 181.100 179.349 1.751 RESID 109 (A): CA 55.540 55.540 55.005 0.535 RESID 109 (A): CB 17.900 17.900 18.122 -0.222 RESID 109 (A): H 8.262 8.262 8.183 0.079 RESID 110 (A): N 118.800 118.800 119.553 -0.753 RESID 110 (A): C 178.900 178.900 178.640 0.260 RESID 110 (A): CA 54.300 54.300 54.557 -0.257 RESID 110 (A): CB 18.460 18.460 18.494 -0.034 RESID 110 (A): H 7.607 7.607 7.919 -0.312 RESID 111 (Q): N 113.500 113.500 114.521 -1.021 RESID 111 (Q): C 174.900 174.900 175.940 -1.040 RESID 111 (Q): CA 55.160 55.160 54.236 0.924 RESID 111 (Q): CB 28.450 28.450 28.663 -0.213 RESID 111 (Q): H 7.148 7.148 7.440 -0.292 RESID 112 (M): N 114.700 114.700 120.894 -6.194 RESID 112 (M): C 173.300 173.300 173.262 0.038 RESID 112 (M): CA 55.900 55.900 55.518 0.382 RESID 112 (M): CB 30.300 30.300 31.744 -1.444 RESID 112 (M): H 7.882 7.882 7.940 -0.058 RESID 113 (P): C 176.700 176.700 176.310 0.390 RESID 113 (P): CA 62.820 62.820 62.583 0.237 RESID 113 (P): CB 33.340 33.340 33.013 0.327 RESID 114 (D): N 115.800 115.800 117.943 -2.143 RESID 114 (D): C 175.900 175.900 175.940 -0.040 RESID 114 (D): CA 53.150 53.150 55.233 -2.083 RESID 114 (D): CB 40.990 40.990 42.937 -1.946 RESID 114 (D): H 8.850 8.850 8.210 0.640 RESID 115 (L): C 174.900 174.900 174.313 0.587 RESID 115 (L): CA 52.800 52.800 54.112 -1.312 RESID 116 (I): N 123.500 123.500 126.175 -2.675 RESID 116 (I): CA 60.270 60.270 60.094 0.175 RESID 116 (I): H 9.340 9.340 8.105 1.235 RESID 118 (I): C 174.400 174.400 175.441 -1.041 RESID 118 (I): CA 60.250 60.250 59.785 0.465 RESID 118 (I): CB 42.610 42.610 41.383 1.227 RESID 119 (S): N 121.600 121.600 121.589 0.011 RESID 119 (S): C 175.700 175.700 175.083 0.617 RESID 119 (S): CA 57.150 57.150 57.773 -0.623 RESID 119 (S): CB 65.280 65.280 64.569 0.712 RESID 119 (S): H 9.575 9.575 8.570 1.005 RESID 120 (A): N 126.000 126.000 124.659 1.341 RESID 120 (A): C 176.900 176.900 177.430 -0.530 RESID 120 (A): CA 54.300 54.300 54.351 -0.051 RESID 120 (A): CB 20.530 20.530 19.024 1.506 RESID 120 (A): H 8.143 8.143 8.682 -0.539 RESID 121 (T): N 106.400 106.400 110.097 -3.697 RESID 121 (T): C 173.000 173.000 173.387 -0.387 RESID 121 (T): CA 59.450 59.450 61.911 -2.461 RESID 121 (T): CB 72.310 72.310 70.622 1.688 RESID 121 (T): H 7.617 7.617 7.981 -0.364 RESID 122 (G): N 104.200 104.200 111.402 -7.202 RESID 122 (G): C 177.200 177.200 174.175 3.025 RESID 122 (G): CA 44.430 44.430 45.222 -0.792 RESID 122 (G): H 7.998 7.998 7.880 0.118 RESID 123 (G): C 174.100 174.100 174.326 -0.226 RESID 123 (G): CA 46.710 46.710 45.675 1.035 RESID 124 (D): N 116.900 116.900 119.153 -2.253 RESID 124 (D): C 176.900 176.900 175.726 1.174 RESID 124 (D): CA 52.320 52.320 52.897 -0.577 RESID 124 (D): CB 40.690 40.690 40.645 0.045 RESID 124 (D): H 8.617 8.617 7.727 0.890 RESID 125 (S): N 115.100 115.100 119.093 -3.993 RESID 125 (S): C 176.900 176.900 175.175 1.725 RESID 125 (S): CA 58.750 58.750 58.643 0.107 RESID 125 (S): CB 64.190 64.190 64.079 0.112 RESID 125 (S): H 7.322 7.322 8.436 -1.114 RESID 126 (A): N 134.900 134.900 130.076 4.824 RESID 126 (A): C 176.700 176.700 178.666 -1.966 RESID 126 (A): CA 51.150 51.150 53.519 -2.369 RESID 126 (A): CB 16.850 16.850 19.080 -2.230 RESID 126 (A): H 8.837 8.837 8.628 0.209 RESID 127 (L): N 121.000 121.000 120.997 0.003 RESID 127 (L): C 178.900 178.900 178.334 0.566 RESID 127 (L): CA 58.730 58.730 57.279 1.451 RESID 127 (L): CB 42.840 42.840 41.613 1.227 RESID 127 (L): H 7.353 7.353 8.144 -0.791 RESID 128 (A): N 121.600 121.600 118.113 3.487 RESID 128 (A): C 178.900 178.900 178.114 0.786 RESID 128 (A): CA 55.010 55.010 54.155 0.855 RESID 128 (A): CB 18.200 18.200 18.699 -0.499 RESID 128 (A): H 8.918 8.918 7.616 1.302 RESID 129 (L): N 116.800 116.800 116.169 0.631 RESID 129 (L): C 177.000 177.000 177.849 -0.849 RESID 129 (L): CA 53.930 53.930 55.230 -1.300 RESID 129 (L): CB 42.710 42.710 43.130 -0.420 RESID 129 (L): H 7.776 7.776 7.425 0.351 RESID 130 (Y): N 122.000 122.000 122.865 -0.865 RESID 130 (Y): C 177.100 177.100 176.745 0.355 RESID 130 (Y): CA 64.420 64.420 62.927 1.493 RESID 130 (Y): CB 39.470 39.470 38.447 1.022 RESID 130 (Y): H 7.891 7.891 8.996 -1.105 RESID 131 (D): N 119.000 119.000 117.850 1.150 RESID 131 (D): C 178.300 178.300 178.419 -0.119 RESID 131 (D): CA 58.040 58.040 57.434 0.606 RESID 131 (D): CB 39.660 39.660 39.381 0.279 RESID 131 (D): H 9.014 9.014 8.106 0.908 RESID 132 (Q): N 118.900 118.900 119.950 -1.050 RESID 132 (Q): C 179.100 179.100 178.898 0.202 RESID 132 (Q): CA 58.930 58.930 58.600 0.330 RESID 132 (Q): CB 29.320 29.320 28.767 0.553 RESID 132 (Q): H 7.814 7.814 7.978 -0.164 RESID 133 (L): N 119.700 119.700 120.185 -0.485 RESID 133 (L): C 177.900 177.900 178.604 -0.704 RESID 133 (L): CA 57.910 57.910 57.710 0.200 RESID 133 (L): CB 40.980 40.980 41.775 -0.795 RESID 133 (L): H 8.450 8.450 8.904 -0.454 RESID 134 (S): N 111.800 111.800 114.729 -2.929 RESID 134 (S): C 175.500 175.500 176.088 -0.588 RESID 134 (S): CA 61.160 61.160 61.352 -0.192 RESID 134 (S): CB 63.450 63.450 62.721 0.730 RESID 134 (S): H 8.128 8.128 8.476 -0.348 RESID 135 (T): N 111.100 111.100 116.071 -4.971 RESID 135 (T): C 175.300 175.300 176.617 -1.317 RESID 135 (T): CA 63.230 63.230 65.316 -2.086 RESID 135 (T): CB 69.670 69.670 69.011 0.659 RESID 135 (T): H 6.953 6.953 7.562 -0.609 RESID 136 (I): N 124.400 124.400 120.489 3.911 RESID 136 (I): C 175.800 175.800 175.578 0.222 RESID 136 (I): CA 63.940 63.940 64.015 -0.075 RESID 136 (I): CB 38.870 38.870 38.568 0.302 RESID 136 (I): H 7.694 7.694 7.362 0.332 RESID 137 (A): N 120.500 120.500 118.647 1.853 RESID 137 (A): C 172.300 172.300 173.988 -1.688 RESID 137 (A): CA 50.470 50.470 50.563 -0.093 RESID 137 (A): CB 19.320 19.320 19.497 -0.177 RESID 137 (A): H 7.540 7.540 7.979 -0.439 RESID 138 (P): C 174.700 174.700 176.151 -1.451 RESID 138 (P): CA 64.700 64.700 63.641 1.059 RESID 138 (P): CB 31.610 31.610 31.502 0.108 RESID 139 (T): N 122.000 122.000 119.758 2.242 RESID 139 (T): C 173.900 173.900 173.901 -0.001 RESID 139 (T): CA 61.630 61.630 63.114 -1.484 RESID 139 (T): CB 71.540 71.540 69.708 1.832 RESID 139 (T): H 7.990 7.990 8.145 -0.155 RESID 140 (L): C 174.900 174.900 174.288 0.612 RESID 140 (L): CA 52.740 52.740 53.471 -0.731 RESID 140 (L): CB 46.680 46.680 46.206 0.474 RESID 141 (I): N 123.500 123.500 125.325 -1.825 RESID 141 (I): C 175.700 175.700 174.677 1.023 RESID 141 (I): CA 60.250 60.250 61.087 -0.837 RESID 141 (I): CB 39.590 39.590 38.708 0.882 RESID 141 (I): H 9.345 9.345 7.879 1.466 RESID 142 (I): N 129.000 129.000 127.074 1.926 RESID 142 (I): C 174.400 174.400 174.203 0.197 RESID 142 (I): CA 57.930 57.930 59.828 -1.898 RESID 142 (I): CB 39.690 39.690 42.191 -2.501 RESID 142 (I): H 9.030 9.030 9.005 0.025 RESID 143 (N): N 129.100 129.100 124.415 4.685 RESID 143 (N): C 174.700 174.700 174.169 0.531 RESID 143 (N): CA 51.390 51.390 53.319 -1.929 RESID 143 (N): CB 39.720 39.720 39.627 0.093 RESID 143 (N): H 9.388 9.388 8.657 0.731 RESID 144 (Y): N 119.900 119.900 126.349 -6.449 RESID 144 (Y): C 176.500 176.500 174.862 1.638 RESID 144 (Y): CA 55.820 55.820 59.710 -3.890 RESID 144 (Y): CB 39.120 39.120 39.123 -0.003 RESID 144 (Y): H 8.491 8.491 8.555 -0.064 RESID 145 (D): N 125.200 125.200 124.314 0.886 RESID 145 (D): C 176.800 176.800 175.004 1.796 RESID 145 (D): CA 55.220 55.220 55.456 -0.236 RESID 145 (D): CB 43.120 43.120 39.766 3.354 RESID 145 (D): H 8.800 8.800 8.342 0.458 RESID 146 (D): N 119.100 119.100 114.938 4.162 RESID 146 (D): C 175.200 175.200 175.285 -0.085 RESID 146 (D): CA 53.230 53.230 53.635 -0.405 RESID 146 (D): CB 40.760 40.760 42.473 -1.713 RESID 146 (D): H 7.571 7.571 8.584 -1.013 RESID 147 (K): N 114.100 114.100 119.844 -5.744 RESID 147 (K): C 175.000 175.000 175.280 -0.280 RESID 147 (K): CA 54.070 54.070 55.613 -1.543 RESID 147 (K): CB 33.340 33.340 35.108 -1.768 RESID 147 (K): H 7.018 7.018 7.556 -0.538 RESID 148 (S): N 118.300 118.300 118.776 -0.476 RESID 148 (S): C 175.700 175.700 176.074 -0.374 RESID 148 (S): CA 57.120 57.120 57.172 -0.052 RESID 148 (S): CB 64.970 64.970 64.283 0.687 RESID 148 (S): H 8.709 8.709 8.488 0.221 RESID 149 (W): N 121.700 121.700 119.846 1.854 RESID 149 (W): C 179.300 179.300 177.224 2.076 RESID 149 (W): CA 59.890 59.890 58.562 1.328 RESID 149 (W): CB 27.660 27.660 28.388 -0.728 RESID 149 (W): H 8.779 8.779 8.896 -0.117 RESID 150 (Q): N 124.600 124.600 121.410 3.190 RESID 150 (Q): C 178.100 178.100 177.796 0.304 RESID 150 (Q): CA 61.660 61.660 58.279 3.381 RESID 150 (Q): CB 26.550 26.550 27.751 -1.201 RESID 150 (Q): H 8.369 8.369 6.752 1.617 RESID 151 (S): N 117.500 117.500 116.160 1.340 RESID 151 (S): C 177.500 177.500 176.980 0.520 RESID 151 (S): CA 61.760 61.760 61.163 0.597 RESID 151 (S): CB 63.360 63.360 62.762 0.598 RESID 151 (S): H 7.769 7.769 7.760 0.009 RESID 152 (L): N 125.200 125.200 122.810 2.390 RESID 152 (L): C 178.700 178.700 178.151 0.549 RESID 152 (L): CA 58.320 58.320 57.920 0.400 RESID 152 (L): CB 41.980 41.980 41.702 0.278 RESID 152 (L): H 8.460 8.460 8.387 0.073 RESID 153 (L): N 119.200 119.200 118.644 0.556 RESID 153 (L): C 179.700 179.700 178.657 1.043 RESID 153 (L): CA 58.960 58.960 57.530 1.430 RESID 153 (L): CB 41.270 41.270 41.372 -0.102 RESID 153 (L): H 8.562 8.562 7.630 0.932 RESID 154 (T): N 116.300 116.300 112.787 3.513 RESID 154 (T): C 177.200 177.200 176.890 0.310 RESID 154 (T): CA 67.290 67.290 65.972 1.318 RESID 154 (T): CB 68.640 68.640 68.108 0.532 RESID 154 (T): H 8.004 8.004 7.857 0.147 RESID 155 (Q): N 124.500 124.500 120.985 3.515 RESID 155 (Q): C 179.200 179.200 177.995 1.205 RESID 155 (Q): CA 59.710 59.710 58.332 1.378 RESID 155 (Q): CB 28.620 28.620 28.348 0.272 RESID 155 (Q): H 8.230 8.230 7.911 0.319 RESID 156 (L): C 180.900 180.900 179.260 1.640 RESID 156 (L): CA 57.540 57.540 56.920 0.620 RESID 156 (L): CB 41.710 41.710 41.839 -0.129 RESID 157 (G): N 112.800 112.800 107.024 5.776 RESID 157 (G): C 174.500 174.500 175.065 -0.565 RESID 157 (G): CA 48.300 48.300 46.516 1.784 RESID 157 (G): H 9.216 9.216 7.989 1.227 RESID 158 (E): N 123.500 123.500 118.631 4.869 RESID 158 (E): C 177.800 177.800 177.128 0.672 RESID 158 (E): CA 59.120 59.120 57.840 1.280 RESID 158 (E): CB 29.700 29.700 29.379 0.321 RESID 158 (E): H 7.480 7.480 7.463 0.017 RESID 160 (T): C 178.300 178.300 175.988 2.312 RESID 160 (T): CA 61.930 61.930 63.125 -1.195 RESID 160 (T): CB 71.830 71.830 69.179 2.651 RESID 161 (G): N 113.600 113.600 113.840 -0.240 RESID 161 (G): C 174.600 174.600 174.145 0.455 RESID 161 (G): CA 48.130 48.130 46.889 1.241 RESID 161 (G): H 8.114 8.114 8.985 -0.871 RESID 162 (H): N 121.000 121.000 116.016 4.984 RESID 162 (H): C 174.000 174.000 176.154 -2.154 RESID 162 (H): CA 55.370 55.370 55.819 -0.449 RESID 162 (H): CB 28.280 28.280 31.277 -2.997 RESID 162 (H): H 8.506 8.506 7.830 0.676 RESID 163 (E): N 123.900 123.900 122.151 1.749 RESID 163 (E): C 180.800 180.800 178.467 2.333 RESID 163 (E): CA 61.160 61.160 59.730 1.430 RESID 163 (E): CB 28.720 28.720 29.155 -0.435 RESID 163 (E): H 10.300 10.300 8.760 1.540 RESID 164 (K): N 120.600 120.600 120.358 0.242 RESID 164 (K): C 178.700 178.700 178.791 -0.091 RESID 164 (K): CA 59.590 59.590 60.031 -0.441 RESID 164 (K): CB 32.280 32.280 31.968 0.311 RESID 164 (K): H 8.789 8.789 8.390 0.399 RESID 165 (Q): N 119.500 119.500 117.309 2.191 RESID 165 (Q): C 178.800 178.800 178.127 0.673 RESID 165 (Q): CA 60.870 60.870 58.839 2.031 RESID 165 (Q): CB 28.120 28.120 28.385 -0.265 RESID 165 (Q): H 8.058 8.058 8.537 -0.479 RESID 166 (A): N 121.100 121.100 122.436 -1.336 RESID 166 (A): C 178.000 178.000 179.421 -1.421 RESID 166 (A): CA 56.280 56.280 54.962 1.318 RESID 166 (A): CB 18.300 18.300 18.074 0.226 RESID 166 (A): H 7.873 7.873 8.012 -0.139 RESID 167 (A): N 117.900 117.900 120.909 -3.009 RESID 167 (A): C 181.500 181.500 179.612 1.888 RESID 167 (A): CA 55.100 55.100 55.248 -0.148 RESID 167 (A): CB 17.860 17.860 18.170 -0.310 RESID 167 (A): H 7.642 7.642 8.728 -1.086 RESID 168 (E): N 120.100 120.100 118.584 1.516 RESID 168 (E): C 179.600 179.600 179.128 0.472 RESID 168 (E): CA 59.610 59.610 59.613 -0.003 RESID 168 (E): CB 29.790 29.790 29.339 0.451 RESID 168 (E): H 8.230 8.230 7.906 0.324 RESID 170 (I): C 177.700 177.700 177.699 0.001 RESID 170 (I): CA 66.880 66.880 65.308 1.571 RESID 170 (I): CB 39.310 39.310 37.951 1.359 RESID 171 (A): N 120.700 120.700 123.166 -2.466 RESID 171 (A): C 181.200 181.200 179.841 1.359 RESID 171 (A): CA 55.290 55.290 55.635 -0.345 RESID 171 (A): CB 18.260 18.260 18.113 0.147 RESID 171 (A): H 8.000 8.000 8.775 -0.775 RESID 172 (Q): N 120.600 120.600 118.023 2.577 RESID 172 (Q): C 179.200 179.200 178.579 0.621 RESID 172 (Q): CA 59.210 59.210 58.493 0.717 RESID 172 (Q): CB 28.340 28.340 28.602 -0.262 RESID 172 (Q): H 8.585 8.585 7.945 0.640 RESID 173 (F): N 122.500 122.500 122.652 -0.152 RESID 173 (F): C 176.400 176.400 177.412 -1.012 RESID 173 (F): CA 62.710 62.710 61.116 1.594 RESID 173 (F): CB 39.490 39.490 39.127 0.363 RESID 173 (F): H 8.457 8.457 8.784 -0.327 RESID 174 (D): N 121.000 121.000 120.089 0.911 RESID 174 (D): C 180.300 180.300 178.878 1.422 RESID 174 (D): CA 58.040 58.040 57.497 0.543 RESID 174 (D): CB 40.160 40.160 40.249 -0.089 RESID 174 (D): H 8.771 8.771 9.038 -0.267 RESID 175 (K): N 121.300 121.300 120.212 1.088 RESID 175 (K): C 179.800 179.800 178.635 1.165 RESID 175 (K): CA 59.630 59.630 59.638 -0.008 RESID 175 (K): CB 32.710 32.710 32.394 0.316 RESID 175 (K): H 8.125 8.125 8.175 -0.050 RESID 176 (Q): N 121.600 121.600 119.499 2.101 RESID 176 (Q): C 179.100 179.100 178.331 0.769 RESID 176 (Q): CA 58.460 58.460 58.937 -0.477 RESID 176 (Q): CB 27.990 27.990 28.525 -0.535 RESID 176 (Q): H 8.164 8.164 7.824 0.340 RESID 177 (L): N 125.600 125.600 119.602 5.998 RESID 177 (L): C 178.400 178.400 178.670 -0.270 RESID 177 (L): CA 59.890 59.890 57.238 2.652 RESID 177 (L): CB 41.200 41.200 41.359 -0.159 RESID 177 (L): H 8.944 8.944 7.738 1.206 RESID 178 (A): N 121.500 121.500 122.543 -1.043 RESID 178 (A): C 180.600 180.600 179.236 1.364 RESID 178 (A): CA 55.390 55.390 55.191 0.200 RESID 178 (A): CB 17.970 17.970 17.885 0.085 RESID 178 (A): H 7.690 7.690 8.226 -0.536 RESID 179 (A): N 120.200 120.200 120.986 -0.786 RESID 179 (A): C 180.600 180.600 179.885 0.715 RESID 179 (A): CA 54.860 54.860 54.533 0.327 RESID 179 (A): CB 18.190 18.190 18.591 -0.401 RESID 179 (A): H 7.706 7.706 7.657 0.049 RESID 180 (A): N 121.800 121.800 121.832 -0.032 RESID 180 (A): C 179.200 179.200 179.106 0.094 RESID 180 (A): CA 55.490 55.490 54.748 0.743 RESID 180 (A): CB 17.920 17.920 18.176 -0.256 RESID 180 (A): H 8.171 8.171 7.993 0.178 RESID 181 (K): N 118.100 118.100 117.954 0.146 RESID 181 (K): C 178.000 178.000 178.078 -0.078 RESID 181 (K): CA 59.830 59.830 59.219 0.611 RESID 181 (K): CB 33.340 33.340 32.639 0.702 RESID 181 (K): H 8.342 8.342 8.308 0.034 RESID 182 (E): N 114.400 114.400 116.534 -2.134 RESID 182 (E): C 177.300 177.300 177.458 -0.158 RESID 182 (E): CA 57.870 57.870 57.109 0.761 RESID 182 (E): CB 30.320 30.320 29.267 1.053 RESID 182 (E): H 7.153 7.153 7.755 -0.602 RESID 183 (Q): N 116.700 116.700 117.413 -0.713 RESID 183 (Q): C 177.200 177.200 176.198 1.002 RESID 183 (Q): CA 57.060 57.060 56.859 0.201 RESID 183 (Q): CB 31.550 31.550 31.103 0.447 RESID 183 (Q): H 7.458 7.458 7.636 -0.178 RESID 184 (I): N 117.800 117.800 115.836 1.964 RESID 184 (I): C 175.200 175.200 174.244 0.956 RESID 184 (I): CA 63.000 63.000 59.746 3.254 RESID 184 (I): CB 40.300 40.300 39.960 0.340 RESID 184 (I): H 7.723 7.723 7.433 0.290 RESID 185 (K): N 127.700 127.700 122.949 4.751 RESID 185 (K): C 175.600 175.600 175.631 -0.031 RESID 185 (K): CA 54.550 54.550 55.124 -0.574 RESID 185 (K): CB 31.600 31.600 34.497 -2.897 RESID 185 (K): H 8.743 8.743 7.912 0.831 RESID 186 (L): N 124.700 124.700 125.721 -1.021 RESID 186 (L): C 175.700 175.700 175.913 -0.213 RESID 186 (L): CA 54.240 54.240 51.888 2.352 RESID 186 (L): CB 41.050 41.050 40.672 0.378 RESID 186 (L): H 8.051 8.051 8.475 -0.424 RESID 188 (P): C 174.800 174.800 176.257 -1.457 RESID 188 (P): CA 65.060 65.060 63.589 1.471 RESID 188 (P): CB 32.670 32.670 31.666 1.004 RESID 189 (Q): N 121.300 121.300 121.055 0.245 RESID 189 (Q): C 174.800 174.800 172.926 1.874 RESID 189 (Q): CA 52.330 52.330 54.729 -2.399 RESID 189 (Q): CB 31.350 31.350 30.353 0.997 RESID 189 (Q): H 8.061 8.061 8.226 -0.165 RESID 190 (P): C 175.500 175.500 175.546 -0.046 RESID 190 (P): CA 62.820 62.820 62.466 0.354 RESID 190 (P): CB 35.450 35.450 32.821 2.629 RESID 191 (V): N 112.600 112.600 121.582 -8.982 RESID 191 (V): C 174.300 174.300 173.969 0.331 RESID 191 (V): CA 59.740 59.740 59.527 0.213 RESID 191 (V): CB 35.030 35.030 34.685 0.344 RESID 191 (V): H 9.214 9.214 8.500 0.714 RESID 192 (T): N 120.700 120.700 113.398 7.302 RESID 192 (T): C 172.300 172.300 172.089 0.211 RESID 192 (T): CA 63.030 63.030 59.517 3.513 RESID 192 (T): CB 71.550 71.550 71.258 0.292 RESID 192 (T): H 8.462 8.462 8.324 0.138 RESID 193 (A): N 132.900 132.900 123.002 9.898 RESID 193 (A): C 175.400 175.400 175.411 -0.011 RESID 193 (A): CA 50.570 50.570 51.121 -0.551 RESID 193 (A): CB 21.140 21.140 21.439 -0.299 RESID 193 (A): H 10.170 10.170 8.558 1.612 RESID 194 (I): N 115.400 115.400 117.454 -2.054 RESID 194 (I): C 176.600 176.600 173.687 2.913 RESID 194 (I): CA 59.540 59.540 60.006 -0.466 RESID 194 (I): CB 43.930 43.930 42.124 1.806 RESID 194 (I): H 9.269 9.269 8.532 0.737 RESID 195 (V): N 118.500 118.500 122.701 -4.201 RESID 195 (V): C 176.200 176.200 174.065 2.135 RESID 195 (V): CA 63.190 63.190 61.385 1.805 RESID 195 (V): CB 34.870 34.870 34.760 0.110 RESID 195 (V): H 8.484 8.484 8.652 -0.168 RESID 196 (Y): N 132.200 132.200 129.466 2.734 RESID 196 (Y): C 174.700 174.700 174.142 0.558 RESID 196 (Y): CA 57.000 57.000 57.418 -0.418 RESID 196 (Y): CB 41.250 41.250 40.181 1.069 RESID 196 (Y): H 9.989 9.989 8.987 1.002 RESID 197 (T): N 124.900 124.900 123.385 1.515 RESID 197 (T): C 174.300 174.300 173.374 0.926 RESID 197 (T): CA 60.740 60.740 60.626 0.114 RESID 197 (T): CB 68.560 68.560 71.579 -3.019 RESID 197 (T): H 8.262 8.262 7.834 0.428 RESID 198 (A): N 130.500 130.500 130.793 -0.293 RESID 198 (A): C 180.400 180.400 179.233 1.167 RESID 198 (A): CA 55.510 55.510 54.349 1.161 RESID 198 (A): CB 18.480 18.480 18.404 0.076 RESID 198 (A): H 8.524 8.524 8.860 -0.336 RESID 199 (A): N 118.700 118.700 123.530 -4.830 RESID 199 (A): C 177.700 177.700 178.705 -1.005 RESID 199 (A): CA 54.350 54.350 54.859 -0.509 RESID 199 (A): CB 18.350 18.350 17.935 0.415 RESID 199 (A): H 8.578 8.578 8.285 0.293 RESID 200 (A): N 116.700 116.700 120.507 -3.807 RESID 200 (A): C 176.600 176.600 177.248 -0.648 RESID 200 (A): CA 51.290 51.290 52.056 -0.766 RESID 200 (A): CB 20.180 20.180 18.866 1.313 RESID 200 (A): H 6.638 6.638 8.098 -1.460 RESID 201 (H): N 116.900 116.900 116.573 0.327 RESID 201 (H): C 172.900 172.900 173.404 -0.504 RESID 201 (H): CA 56.710 56.710 56.344 0.366 RESID 201 (H): CB 27.820 27.820 28.245 -0.425 RESID 201 (H): H 7.569 7.569 7.794 -0.225 RESID 202 (S): N 110.500 110.500 114.446 -3.946 RESID 202 (S): C 171.500 171.500 171.451 0.049 RESID 202 (S): CA 56.530 56.530 57.601 -1.071 RESID 202 (S): CB 66.170 66.170 66.300 -0.130 RESID 202 (S): H 7.109 7.109 7.804 -0.695 RESID 203 (A): N 120.900 120.900 123.824 -2.924 RESID 203 (A): C 174.900 174.900 175.280 -0.380 RESID 203 (A): CA 50.890 50.890 51.431 -0.541 RESID 203 (A): CB 24.510 24.510 22.198 2.312 RESID 203 (A): H 8.618 8.618 8.306 0.312 RESID 204 (N): N 118.900 118.900 118.807 0.093 RESID 204 (N): C 173.300 173.300 173.441 -0.141 RESID 204 (N): CA 51.520 51.520 52.072 -0.552 RESID 204 (N): CB 40.080 40.080 42.194 -2.114 RESID 204 (N): H 8.333 8.333 8.232 0.101 RESID 205 (L): N 127.200 127.200 121.662 5.538 RESID 205 (L): C 175.700 175.700 175.557 0.143 RESID 205 (L): CA 54.920 54.920 54.056 0.864 RESID 205 (L): CB 44.180 44.180 42.676 1.504 RESID 205 (L): H 9.265 9.265 7.622 1.643 RESID 206 (W): N 125.300 125.300 123.578 1.722 RESID 206 (W): C 177.100 177.100 176.074 1.026 RESID 206 (W): CA 56.630 56.630 57.474 -0.844 RESID 206 (W): CB 29.690 29.690 30.876 -1.186 RESID 206 (W): H 8.560 8.560 7.916 0.644 RESID 207 (T): N 112.000 112.000 110.128 1.872 RESID 207 (T): C 176.100 176.100 173.176 2.924 RESID 207 (T): CA 60.120 60.120 59.150 0.970 RESID 207 (T): CB 68.540 68.540 70.478 -1.938 RESID 207 (T): H 8.029 8.029 8.130 -0.101 RESID 208 (P): C 176.000 176.000 176.859 -0.859 RESID 208 (P): CA 66.120 66.120 65.407 0.713 RESID 208 (P): CB 31.950 31.950 32.166 -0.216 RESID 209 (E): N 112.300 112.300 115.032 -2.732 RESID 209 (E): C 177.100 177.100 176.811 0.289 RESID 209 (E): CA 57.280 57.280 57.221 0.059 RESID 209 (E): CB 29.760 29.760 30.143 -0.383 RESID 209 (E): H 7.612 7.612 7.964 -0.352 RESID 210 (S): N 115.800 115.800 115.052 0.748 RESID 210 (S): C 173.900 173.900 175.532 -1.632 RESID 210 (S): CA 58.060 58.060 59.206 -1.146 RESID 210 (S): CB 67.320 67.320 64.464 2.856 RESID 210 (S): H 7.654 7.654 7.428 0.226 RESID 211 (A): N 125.200 125.200 127.335 -2.135 RESID 211 (A): C 180.600 180.600 179.845 0.755 RESID 211 (A): CA 55.410 55.410 55.323 0.087 RESID 211 (A): CB 18.530 18.530 18.762 -0.232 RESID 211 (A): H 8.874 8.874 9.019 -0.145 RESID 212 (Q): N 119.200 119.200 118.633 0.567 RESID 212 (Q): C 177.100 177.100 178.017 -0.917 RESID 212 (Q): CA 61.410 61.410 58.969 2.441 RESID 212 (Q): CB 27.090 27.090 27.416 -0.326 RESID 212 (Q): H 8.493 8.493 8.473 0.020 RESID 213 (G): N 107.500 107.500 107.647 -0.147 RESID 213 (G): C 175.400 175.400 176.314 -0.914 RESID 213 (G): CA 47.520 47.520 46.828 0.692 RESID 213 (G): H 8.053 8.053 8.298 -0.245 RESID 214 (Q): N 120.700 120.700 121.492 -0.792 RESID 214 (Q): C 179.000 179.000 178.392 0.608 RESID 214 (Q): CA 59.150 59.150 58.870 0.280 RESID 214 (Q): CB 29.110 29.110 28.692 0.418 RESID 214 (Q): H 8.501 8.501 8.080 0.421 RESID 215 (M): N 119.200 119.200 120.619 -1.419 RESID 215 (M): C 177.800 177.800 178.166 -0.366 RESID 215 (M): CA 59.760 59.760 59.646 0.114 RESID 215 (M): CB 32.050 32.050 32.845 -0.795 RESID 215 (M): H 7.878 7.878 8.182 -0.304 RESID 216 (L): N 115.800 115.800 118.842 -3.042 RESID 216 (L): C 179.900 179.900 179.032 0.868 RESID 216 (L): CA 58.160 58.160 57.662 0.498 RESID 216 (L): CB 40.010 40.010 41.465 -1.455 RESID 216 (L): H 7.517 7.517 7.989 -0.472 RESID 217 (E): N 121.000 121.000 119.669 1.331 RESID 217 (E): C 182.200 182.200 179.231 2.969 RESID 217 (E): CA 60.210 60.210 58.915 1.295 RESID 217 (E): CB 29.150 29.150 29.425 -0.275 RESID 217 (E): H 8.377 8.377 8.187 0.190 RESID 218 (Q): N 122.300 122.300 117.097 5.203 RESID 218 (Q): C 178.100 178.100 178.874 -0.774 RESID 218 (Q): CA 59.220 59.220 58.257 0.964 RESID 218 (Q): CB 28.850 28.850 29.135 -0.285 RESID 218 (Q): H 8.464 8.464 7.928 0.536 RESID 219 (L): N 118.400 118.400 117.706 0.694 RESID 219 (L): C 175.200 175.200 177.445 -2.245 RESID 219 (L): CA 55.880 55.880 57.225 -1.345 RESID 219 (L): CB 44.330 44.330 42.870 1.460 RESID 219 (L): H 7.433 7.433 7.787 -0.354 RESID 220 (G): N 104.600 104.600 102.685 1.915 RESID 220 (G): C 174.700 174.700 172.927 1.773 RESID 220 (G): CA 44.750 44.750 44.687 0.063 RESID 220 (G): H 7.777 7.777 8.167 -0.390 RESID 221 (F): N 119.100 119.100 118.920 0.180 RESID 221 (F): C 175.200 175.200 174.342 0.858 RESID 221 (F): CA 57.900 57.900 55.960 1.940 RESID 221 (F): CB 38.930 38.930 42.784 -3.854 RESID 221 (F): H 8.001 8.001 7.778 0.223 RESID 222 (T): N 117.600 117.600 115.997 1.603 RESID 222 (T): C 173.900 173.900 173.377 0.523 RESID 222 (T): CA 61.790 61.790 61.219 0.571 RESID 222 (T): CB 71.360 71.360 69.748 1.612 RESID 222 (T): H 8.961 8.961 8.564 0.397 RESID 223 (L): N 128.300 128.300 127.093 1.207 RESID 223 (L): C 178.300 178.300 176.639 1.661 RESID 223 (L): CA 54.760 54.760 53.410 1.350 RESID 223 (L): CB 41.600 41.600 42.739 -1.139 RESID 223 (L): H 9.269 9.269 8.207 1.062 RESID 224 (A): N 126.800 126.800 128.084 -1.284 RESID 224 (A): C 177.400 177.400 175.859 1.541 RESID 224 (A): CA 52.460 52.460 50.987 1.473 RESID 224 (A): CB 18.650 18.650 20.833 -2.183 RESID 224 (A): H 9.077 9.077 8.114 0.963 RESID 225 (K): N 123.400 123.400 121.174 2.226 RESID 225 (K): C 176.800 176.800 176.192 0.608 RESID 225 (K): CA 55.600 55.600 55.577 0.023 RESID 225 (K): CB 33.080 33.080 32.906 0.174 RESID 225 (K): H 8.601 8.601 8.364 0.237 RESID 226 (L): N 126.200 126.200 128.001 -1.801 RESID 226 (L): C 175.500 175.500 175.607 -0.107 RESID 226 (L): CA 53.420 53.420 53.962 -0.542 RESID 226 (L): CB 41.720 41.720 41.246 0.474 RESID 226 (L): H 8.634 8.634 8.521 0.113 RESID 227 (P): C 176.800 176.800 177.079 -0.279 RESID 227 (P): CA 62.860 62.860 62.885 -0.025 RESID 227 (P): CB 32.360 32.360 32.189 0.171 RESID 228 (A): N 124.900 124.900 124.868 0.032 RESID 228 (A): C 179.500 179.500 178.502 0.998 RESID 228 (A): CA 54.120 54.120 53.432 0.688 RESID 228 (A): CB 18.710 18.710 18.702 0.008 RESID 228 (A): H 8.412 8.412 8.515 -0.103 RESID 229 (G): N 107.700 107.700 107.505 0.195 RESID 229 (G): C 175.000 175.000 175.966 -0.966 RESID 229 (G): CA 46.040 46.040 45.428 0.612 RESID 229 (G): H 8.565 8.565 8.102 0.463 RESID 230 (L): N 121.100 121.100 122.276 -1.176 RESID 230 (L): C 176.900 176.900 178.375 -1.475 RESID 230 (L): CA 55.620 55.620 55.518 0.102 RESID 230 (L): CB 42.630 42.630 41.674 0.956 RESID 230 (L): H 7.454 7.454 7.863 -0.409 RESID 231 (N): N 119.400 119.400 119.847 -0.447 RESID 231 (N): C 175.300 175.300 175.917 -0.617 RESID 231 (N): CA 53.650 53.650 56.110 -2.460 RESID 231 (N): CB 38.940 38.940 37.983 0.957 RESID 231 (N): H 8.211 8.211 8.008 0.203 RESID 232 (A): N 124.500 124.500 119.522 4.978 RESID 232 (A): C 178.100 178.100 178.059 0.041 RESID 232 (A): CA 53.110 53.110 51.761 1.349 RESID 232 (A): CB 19.340 19.340 17.998 1.342 RESID 232 (A): H 8.103 8.103 7.954 0.149 RESID 233 (S): N 115.200 115.200 115.184 0.016 RESID 233 (S): C 175.100 175.100 175.570 -0.470 RESID 233 (S): CA 59.280 59.280 60.959 -1.679 RESID 233 (S): CB 64.280 64.280 63.335 0.945 RESID 233 (S): H 8.169 8.169 8.434 -0.265 RESID 234 (Q): N 122.100 122.100 120.651 1.449 RESID 234 (Q): C 176.400 176.400 175.660 0.740 RESID 234 (Q): CA 56.240 56.240 56.078 0.162 RESID 234 (Q): CB 29.490 29.490 30.853 -1.363 RESID 234 (Q): H 8.230 8.230 7.764 0.466 RESID 235 (S): N 117.100 117.100 118.178 -1.078 RESID 235 (S): C 174.900 174.900 174.638 0.262 RESID 235 (S): CA 58.910 58.910 58.855 0.055 RESID 235 (S): CB 64.510 64.510 62.847 1.663 RESID 235 (S): H 8.229 8.229 8.436 -0.207 RESID 236 (Q): N 122.300 122.300 127.146 -4.846 RESID 236 (Q): C 176.700 176.700 175.460 1.240 RESID 236 (Q): CA 56.610 56.610 55.522 1.088 RESID 236 (Q): CB 29.280 29.280 27.588 1.692 RESID 236 (Q): H 8.372 8.372 8.822 -0.450 RESID 237 (G): N 110.400 110.400 109.077 1.323 RESID 237 (G): C 174.100 174.100 172.955 1.145 RESID 237 (G): CA 45.720 45.720 45.478 0.242 RESID 237 (G): H 8.381 8.381 7.596 0.785 RESID 238 (K): N 120.500 120.500 121.438 -0.938 RESID 238 (K): C 176.600 176.600 175.477 1.123 RESID 238 (K): CA 56.490 56.490 56.036 0.454 RESID 238 (K): CB 33.320 33.320 32.758 0.562 RESID 238 (K): H 7.968 7.968 8.356 -0.388 RESID 239 (R): N 120.900 120.900 125.012 -4.112 RESID 239 (R): CA 56.130 56.130 55.930 0.200 RESID 239 (R): CB 31.560 31.560 30.910 0.650 RESID 239 (R): H 8.159 8.159 8.500 -0.341 RESID 240 (H): C 174.800 174.800 176.511 -1.711 RESID 240 (H): CA 55.740 55.740 58.689 -2.949 RESID 240 (H): CB 29.760 29.760 30.068 -0.308 RESID 241 (D): N 119.800 119.800 119.242 0.558 RESID 241 (D): C 174.700 174.700 176.265 -1.565 RESID 241 (D): CA 55.500 55.500 55.968 -0.468 RESID 241 (D): CB 40.550 40.550 41.216 -0.666 RESID 241 (D): H 9.052 9.052 8.387 0.665 RESID 242 (I): N 115.200 115.200 114.946 0.254 RESID 242 (I): C 175.600 175.600 174.439 1.161 RESID 242 (I): CA 59.090 59.090 59.071 0.020 RESID 242 (I): CB 43.670 43.670 40.965 2.705 RESID 242 (I): H 7.087 7.087 7.402 -0.315 RESID 243 (I): N 125.100 125.100 126.371 -1.271 RESID 243 (I): C 175.300 175.300 174.265 1.035 RESID 243 (I): CA 60.340 60.340 60.621 -0.281 RESID 243 (I): CB 41.290 41.290 38.431 2.859 RESID 243 (I): H 8.746 8.746 8.481 0.265 RESID 244 (Q): N 128.400 128.400 127.692 0.708 RESID 244 (Q): C 175.300 175.300 174.211 1.089 RESID 244 (Q): CA 56.460 56.460 55.122 1.338 RESID 244 (Q): CB 29.800 29.800 29.643 0.157 RESID 244 (Q): H 8.768 8.768 8.540 0.228 RESID 245 (L): N 125.500 125.500 122.720 2.780 RESID 245 (L): C 176.200 176.200 176.484 -0.284 RESID 245 (L): CA 53.790 53.790 52.762 1.028 RESID 245 (L): CB 45.100 45.100 45.016 0.084 RESID 245 (L): H 8.640 8.640 8.266 0.374 RESID 246 (G): N 109.700 109.700 105.088 4.612 RESID 246 (G): C 174.200 174.200 174.326 -0.126 RESID 246 (G): CA 44.590 44.590 45.047 -0.458 RESID 246 (G): H 8.424 8.424 8.448 -0.024 RESID 247 (G): N 108.500 108.500 108.651 -0.151 RESID 247 (G): C 176.800 176.800 174.976 1.824 RESID 247 (G): CA 47.500 47.500 44.336 3.164 RESID 247 (G): H 8.666 8.666 7.746 0.920 RESID 248 (E): N 123.700 123.700 121.211 2.489 RESID 248 (E): C 177.300 177.300 176.500 0.800 RESID 248 (E): CA 58.560 58.560 57.518 1.042 RESID 248 (E): CB 29.330 29.330 29.130 0.200 RESID 248 (E): H 9.265 9.265 8.822 0.443 RESID 249 (N): N 116.700 116.700 116.690 0.010 RESID 249 (N): C 175.500 175.500 176.031 -0.531 RESID 249 (N): CA 53.490 53.490 53.548 -0.058 RESID 249 (N): CB 39.390 39.390 38.851 0.539 RESID 249 (N): H 7.963 7.963 7.852 0.111 RESID 250 (L): N 121.100 121.100 119.939 1.161 RESID 250 (L): C 177.100 177.100 178.107 -1.007 RESID 250 (L): CA 58.810 58.810 57.050 1.760 RESID 250 (L): CB 42.220 42.220 41.462 0.758 RESID 250 (L): H 7.104 7.104 7.802 -0.698 RESID 251 (A): N 117.400 117.400 122.387 -4.987 RESID 251 (A): C 179.500 179.500 178.165 1.335 RESID 251 (A): CA 55.340 55.340 54.656 0.684 RESID 251 (A): CB 17.960 17.960 18.387 -0.428 RESID 251 (A): H 8.141 8.141 8.313 -0.172 RESID 252 (A): N 117.400 117.400 118.573 -1.173 RESID 252 (A): C 179.100 179.100 178.320 0.780 RESID 252 (A): CA 53.990 53.990 52.394 1.596 RESID 252 (A): CB 18.970 18.970 18.962 0.008 RESID 252 (A): H 7.375 7.375 8.413 -1.038 RESID 253 (G): N 100.600 100.600 107.897 -7.297 RESID 253 (G): C 172.700 172.700 174.792 -2.092 RESID 253 (G): CA 45.380 45.380 45.016 0.364 RESID 253 (G): H 7.589 7.589 7.546 0.043 RESID 254 (L): N 124.800 124.800 122.849 1.951 RESID 254 (L): C 175.300 175.300 177.574 -2.274 RESID 254 (L): CA 53.020 53.020 54.865 -1.845 RESID 254 (L): CB 39.090 39.090 42.103 -3.013 RESID 254 (L): H 7.202 7.202 7.799 -0.597 RESID 255 (N): N 113.800 113.800 121.499 -7.699 RESID 255 (N): C 176.600 176.600 176.250 0.350 RESID 255 (N): CA 53.420 53.420 54.005 -0.585 RESID 255 (N): CB 37.600 37.600 38.828 -1.228 RESID 255 (N): H 7.701 7.701 8.842 -1.141 RESID 256 (G): N 109.100 109.100 106.580 2.520 RESID 256 (G): C 172.200 172.200 174.567 -2.367 RESID 256 (G): CA 45.790 45.790 45.340 0.450 RESID 256 (G): H 7.856 7.856 8.555 -0.699 RESID 257 (E): N 120.100 120.100 118.806 1.294 RESID 257 (E): C 176.900 176.900 175.566 1.334 RESID 257 (E): CA 57.880 57.880 56.591 1.289 RESID 257 (E): CB 29.760 29.760 30.587 -0.827 RESID 257 (E): H 8.443 8.443 8.634 -0.191 RESID 258 (S): N 107.500 107.500 113.744 -6.244 RESID 258 (S): C 172.500 172.500 172.419 0.081 RESID 258 (S): CA 58.010 58.010 58.550 -0.541 RESID 258 (S): CB 66.360 66.360 63.758 2.603 RESID 258 (S): H 7.176 7.176 8.020 -0.844 RESID 259 (L): N 124.900 124.900 127.564 -2.664 RESID 259 (L): C 173.900 173.900 176.469 -2.569 RESID 259 (L): CA 53.630 53.630 54.357 -0.727 RESID 259 (L): CB 46.240 46.240 42.385 3.855 RESID 259 (L): H 8.969 8.969 8.047 0.922 RESID 260 (F): N 123.700 123.700 123.017 0.683 RESID 260 (F): C 174.200 174.200 176.031 -1.831 RESID 260 (F): CA 56.460 56.460 54.955 1.505 RESID 260 (F): CB 41.560 41.560 40.473 1.087 RESID 260 (F): H 9.295 9.295 8.151 1.144 RESID 261 (L): N 123.900 123.900 120.179 3.721 RESID 261 (L): C 177.600 177.600 177.092 0.508 RESID 261 (L): CA 54.010 54.010 53.200 0.810 RESID 261 (L): CB 41.470 41.470 45.499 -4.029 RESID 261 (L): H 9.034 9.034 8.187 0.847 RESID 262 (F): N 123.800 123.800 122.346 1.454 RESID 262 (F): C 175.500 175.500 175.658 -0.158 RESID 262 (F): CA 58.850 58.850 56.837 2.013 RESID 262 (F): CB 39.930 39.930 38.510 1.420 RESID 262 (F): H 9.338 9.338 9.092 0.246 RESID 263 (A): N 121.900 121.900 124.106 -2.206 RESID 263 (A): C 175.300 175.300 177.024 -1.724 RESID 263 (A): CA 53.630 53.630 52.676 0.954 RESID 263 (A): CB 19.700 19.700 16.816 2.885 RESID 263 (A): H 8.902 8.902 8.311 0.591 RESID 264 (G): N 104.500 104.500 111.575 -7.075 RESID 264 (G): C 171.100 171.100 172.727 -1.627 RESID 264 (G): CA 45.540 45.540 45.052 0.488 RESID 264 (G): H 6.746 6.746 7.874 -1.128 RESID 265 (D): N 122.300 122.300 122.661 -0.361 RESID 265 (D): C 177.300 177.300 177.266 0.034 RESID 265 (D): CA 51.660 51.660 52.770 -1.110 RESID 265 (D): CB 42.840 42.840 42.264 0.576 RESID 265 (D): H 9.052 9.052 8.117 0.935 RESID 266 (Q): N 118.400 118.400 119.604 -1.204 RESID 266 (Q): C 177.600 177.600 177.459 0.141 RESID 266 (Q): CA 58.620 58.620 59.070 -0.450 RESID 266 (Q): CB 28.490 28.490 28.648 -0.158 RESID 266 (Q): H 8.277 8.277 8.605 -0.328 RESID 267 (K): N 117.700 117.700 118.780 -1.080 RESID 267 (K): C 180.400 180.400 178.088 2.312 RESID 267 (K): CA 59.390 59.390 59.553 -0.163 RESID 267 (K): CB 31.440 31.440 31.785 -0.345 RESID 267 (K): H 7.879 7.879 7.921 -0.042 RESID 268 (D): N 121.600 121.600 119.650 1.950 RESID 268 (D): C 177.400 177.400 178.340 -0.940 RESID 268 (D): CA 57.980 57.980 56.973 1.007 RESID 268 (D): CB 41.550 41.550 40.252 1.298 RESID 268 (D): H 7.640 7.640 8.111 -0.471 RESID 269 (A): N 121.700 121.700 121.491 0.209 RESID 269 (A): C 179.000 179.000 178.419 0.581 RESID 269 (A): CA 55.640 55.640 54.929 0.711 RESID 269 (A): CB 17.490 17.490 18.193 -0.703 RESID 269 (A): H 7.370 7.370 7.626 -0.256 RESID 270 (D): N 118.200 118.200 117.980 0.220 RESID 270 (D): C 179.300 179.300 176.510 2.790 RESID 270 (D): CA 57.570 57.570 56.298 1.272 RESID 270 (D): CB 39.860 39.860 40.243 -0.383 RESID 270 (D): H 8.735 8.735 7.954 0.781 RESID 271 (A): N 122.900 122.900 119.903 2.997 RESID 271 (A): C 180.800 180.800 179.322 1.478 RESID 271 (A): CA 55.040 55.040 53.566 1.474 RESID 271 (A): CB 18.300 18.300 19.312 -1.012 RESID 271 (A): H 7.579 7.579 7.028 0.551 RESID 272 (I): N 0.000 0.000 120.458 -120.458 RESID 272 (I): C 178.300 178.300 176.964 1.336 RESID 272 (I): CA 63.880 63.880 64.662 -0.782 RESID 272 (I): CB 35.710 35.710 38.129 -2.419 RESID 272 (I): H 7.340 7.340 8.406 -1.066 RESID 273 (Y): N 116.300 116.300 116.979 -0.679 RESID 273 (Y): C 177.000 177.000 176.784 0.216 RESID 273 (Y): CA 61.100 61.100 58.270 2.830 RESID 273 (Y): CB 37.770 37.770 35.829 1.941 RESID 273 (Y): H 7.509 7.509 7.293 0.216 RESID 274 (A): N 118.600 118.600 121.845 -3.245 RESID 274 (A): C 177.200 177.200 177.168 0.032 RESID 274 (A): CA 52.030 52.030 53.009 -0.979 RESID 274 (A): CB 19.580 19.580 19.411 0.169 RESID 274 (A): H 7.495 7.495 7.837 -0.342 RESID 275 (N): N 119.900 119.900 118.230 1.670 RESID 275 (N): C 175.700 175.700 174.013 1.687 RESID 275 (N): CA 51.030 51.030 51.401 -0.371 RESID 275 (N): CB 38.590 38.590 37.008 1.583 RESID 275 (N): H 7.200 7.200 7.956 -0.756 RESID 276 (P): C 178.900 178.900 178.490 0.410 RESID 276 (P): CA 65.190 65.190 65.459 -0.269 RESID 276 (P): CB 32.440 32.440 32.040 0.400 RESID 277 (L): N 116.700 116.700 117.414 -0.714 RESID 277 (L): C 178.000 178.000 178.893 -0.893 RESID 277 (L): CA 56.630 56.630 57.540 -0.910 RESID 277 (L): CB 41.720 41.720 41.505 0.215 RESID 277 (L): H 7.777 7.777 7.923 -0.146 RESID 278 (L): N 115.100 115.100 116.562 -1.462 RESID 278 (L): C 176.600 176.600 177.852 -1.252 RESID 278 (L): CA 53.200 53.200 54.908 -1.708 RESID 278 (L): CB 40.960 40.960 41.304 -0.344 RESID 278 (L): H 7.485 7.485 7.679 -0.194 RESID 279 (A): N 118.600 118.600 123.118 -4.518 RESID 279 (A): C 177.700 177.700 177.812 -0.112 RESID 279 (A): CA 55.090 55.090 54.369 0.721 RESID 279 (A): CB 19.710 19.710 18.599 1.111 RESID 279 (A): H 6.665 6.665 7.892 -1.227 RESID 280 (H): N 111.600 111.600 115.285 -3.685 RESID 280 (H): C 175.500 175.500 175.209 0.291 RESID 280 (H): CA 55.360 55.360 56.272 -0.912 RESID 280 (H): CB 29.540 29.540 28.634 0.906 RESID 280 (H): H 8.337 8.337 8.203 0.134 RESID 281 (L): N 124.100 124.100 122.496 1.604 RESID 281 (L): C 176.300 176.300 175.865 0.435 RESID 281 (L): CA 53.330 53.330 52.961 0.369 RESID 281 (L): CB 40.490 40.490 41.954 -1.464 RESID 281 (L): H 7.289 7.289 7.441 -0.152 RESID 282 (P): C 178.200 178.200 178.376 -0.176 RESID 282 (P): CA 66.050 66.050 65.675 0.375 RESID 282 (P): CB 32.150 32.150 31.726 0.424 RESID 283 (A): N 116.000 116.000 119.208 -3.208 RESID 283 (A): C 179.000 179.000 179.847 -0.847 RESID 283 (A): CA 55.630 55.630 55.186 0.444 RESID 283 (A): CB 19.490 19.490 18.186 1.304 RESID 283 (A): H 7.969 7.969 8.424 -0.455 RESID 284 (V): N 115.200 115.200 118.524 -3.324 RESID 284 (V): C 180.000 180.000 178.923 1.077 RESID 284 (V): CA 65.640 65.640 65.883 -0.243 RESID 284 (V): CB 32.560 32.560 30.823 1.737 RESID 284 (V): H 6.557 6.557 7.681 -1.124 RESID 285 (Q): N 121.200 121.200 120.442 0.758 RESID 285 (Q): C 178.000 178.000 177.652 0.348 RESID 285 (Q): CA 59.500 59.500 58.800 0.700 RESID 285 (Q): CB 29.080 29.080 28.605 0.475 RESID 285 (Q): H 8.581 8.581 7.820 0.761 RESID 286 (N): N 112.600 112.600 113.975 -1.375 RESID 286 (N): C 174.500 174.500 173.851 0.649 RESID 286 (N): CA 53.160 53.160 52.718 0.442 RESID 286 (N): CB 38.390 38.390 38.747 -0.357 RESID 286 (N): H 8.117 8.117 8.027 0.090 RESID 287 (K): N 118.500 118.500 116.432 2.068 RESID 287 (K): C 176.100 176.100 175.872 0.228 RESID 287 (K): CA 57.540 57.540 57.203 0.338 RESID 287 (K): CB 28.570 28.570 29.465 -0.895 RESID 287 (K): H 7.724 7.724 7.701 0.023 RESID 288 (Q): N 119.700 119.700 116.599 3.101 RESID 288 (Q): C 173.700 173.700 173.928 -0.228 RESID 288 (Q): CA 52.970 52.970 54.714 -1.744 RESID 288 (Q): CB 28.640 28.640 29.094 -0.454 RESID 288 (Q): H 8.895 8.895 8.353 0.542 RESID 289 (V): N 119.200 119.200 118.471 0.729 RESID 289 (V): C 175.100 175.100 174.984 0.116 RESID 289 (V): CA 61.600 61.600 60.999 0.601 RESID 289 (V): CB 32.610 32.610 33.737 -1.127 RESID 289 (V): H 6.246 6.246 7.471 -1.225 RESID 290 (Y): N 125.700 125.700 124.723 0.977 RESID 290 (Y): C 174.100 174.100 174.390 -0.290 RESID 290 (Y): CA 56.830 56.830 56.647 0.184 RESID 290 (Y): CB 40.950 40.950 42.386 -1.435 RESID 290 (Y): H 8.682 8.682 9.092 -0.410 RESID 291 (A): N 126.900 126.900 122.004 4.896 RESID 291 (A): C 178.300 178.300 176.762 1.538 RESID 291 (A): CA 51.560 51.560 50.377 1.183 RESID 291 (A): CB 19.670 19.670 21.240 -1.570 RESID 291 (A): H 9.057 9.057 8.654 0.403 RESID 292 (L): N 120.800 120.800 119.803 0.997 RESID 292 (L): C 175.500 175.500 176.230 -0.730 RESID 292 (L): CA 54.880 54.880 54.242 0.638 RESID 292 (L): CB 42.490 42.490 42.263 0.227 RESID 292 (L): H 8.342 8.342 8.918 -0.576 RESID 293 (G): N 107.500 107.500 103.857 3.643 RESID 293 (G): C 177.600 177.600 174.083 3.517 RESID 293 (G): CA 45.110 45.110 44.440 0.670 RESID 293 (G): H 7.973 7.973 7.390 0.583 RESID 294 (T): N 117.800 117.800 116.745 1.055 RESID 294 (T): C 176.400 176.400 176.012 0.388 RESID 294 (T): CA 65.260 65.260 65.217 0.043 RESID 294 (T): CB 68.310 68.310 69.166 -0.856 RESID 294 (T): H 8.808 8.808 8.576 0.232 RESID 295 (E): N 122.100 122.100 119.934 2.166 RESID 295 (E): C 177.700 177.700 176.609 1.091 RESID 295 (E): CA 58.540 58.540 58.338 0.202 RESID 295 (E): CB 29.010 29.010 28.766 0.244 RESID 295 (E): H 10.380 10.380 8.843 1.537 RESID 296 (T): N 103.000 103.000 108.620 -5.620 RESID 296 (T): C 173.600 173.600 174.345 -0.745 RESID 296 (T): CA 62.320 62.320 61.240 1.080 RESID 296 (T): CB 69.170 69.170 67.787 1.383 RESID 296 (T): H 7.062 7.062 7.911 -0.849 RESID 297 (F): N 121.500 121.500 123.089 -1.589 RESID 297 (F): C 174.500 174.500 175.863 -1.363 RESID 297 (F): CA 61.700 61.700 61.003 0.697 RESID 297 (F): CB 39.640 39.640 39.766 -0.126 RESID 297 (F): H 8.108 8.108 7.783 0.325 RESID 298 (R): N 116.800 116.800 119.761 -2.961 RESID 298 (R): C 176.000 176.000 175.098 0.902 RESID 298 (R): CA 54.160 54.160 55.750 -1.590 RESID 298 (R): CB 32.460 32.460 31.094 1.366 RESID 298 (R): H 7.552 7.552 8.225 -0.673 RESID 299 (L): N 125.500 125.500 126.784 -1.284 RESID 299 (L): C 174.800 174.800 174.290 0.510 RESID 299 (L): CA 54.300 54.300 54.037 0.263 RESID 299 (L): CB 41.670 41.670 43.940 -2.270 RESID 299 (L): H 8.903 8.903 8.359 0.544 RESID 300 (D): N 124.600 124.600 122.318 2.282 RESID 300 (D): C 173.400 173.400 175.466 -2.066 RESID 300 (D): CA 51.880 51.880 52.997 -1.117 RESID 300 (D): CB 43.230 43.230 42.704 0.526 RESID 300 (D): H 7.735 7.735 8.655 -0.920 RESID 301 (Y): N 118.100 118.100 121.061 -2.961 RESID 301 (Y): C 175.300 175.300 176.184 -0.884 RESID 301 (Y): CA 61.650 61.650 63.270 -1.620 RESID 301 (Y): CB 38.740 38.740 38.672 0.068 RESID 301 (Y): H 7.943 7.943 8.943 -1.000 RESID 302 (Y): N 112.300 112.300 115.425 -3.125 RESID 302 (Y): C 180.800 180.800 177.668 3.132 RESID 302 (Y): CA 61.970 61.970 60.863 1.107 RESID 302 (Y): CB 37.990 37.990 38.098 -0.108 RESID 302 (Y): H 7.309 7.309 8.117 -0.808 RESID 303 (S): N 119.100 119.100 115.866 3.234 RESID 303 (S): C 176.300 176.300 176.580 -0.280 RESID 303 (S): CA 60.690 60.690 61.209 -0.519 RESID 303 (S): CB 63.180 63.180 62.098 1.082 RESID 303 (S): H 9.411 9.411 9.424 -0.013 RESID 304 (A): N 126.900 126.900 125.793 1.107 RESID 304 (A): C 180.400 180.400 179.391 1.009 RESID 304 (A): CA 56.000 56.000 54.933 1.067 RESID 304 (A): CB 18.040 18.040 17.850 0.190 RESID 304 (A): H 8.860 8.860 7.906 0.954 RESID 305 (M): N 116.600 116.600 117.969 -1.369 RESID 305 (M): C 179.300 179.300 178.874 0.426 RESID 305 (M): CA 57.880 57.880 59.755 -1.875 RESID 305 (M): CB 31.350 31.350 32.393 -1.043 RESID 305 (M): H 7.346 7.346 7.513 -0.167 RESID 306 (Q): N 119.300 119.300 118.870 0.430 RESID 306 (Q): C 179.000 179.000 178.829 0.171 RESID 306 (Q): CA 59.410 59.410 58.890 0.520 RESID 306 (Q): CB 28.450 28.450 28.826 -0.376 RESID 306 (Q): H 7.633 7.633 7.784 -0.151 RESID 308 (L): C 178.700 178.700 178.482 0.218 RESID 308 (L): CA 58.690 58.690 58.422 0.268 RESID 308 (L): CB 41.790 41.790 41.382 0.408 RESID 309 (D): N 119.100 119.100 119.105 -0.005 RESID 309 (D): C 179.600 179.600 178.891 0.709 RESID 309 (D): CA 57.830 57.830 57.570 0.260 RESID 309 (D): CB 40.820 40.820 40.327 0.493 RESID 309 (D): H 7.984 7.984 8.057 -0.073 RESID 310 (R): N 121.700 121.700 120.591 1.109 RESID 310 (R): C 178.900 178.900 178.731 0.169 RESID 310 (R): CA 58.590 58.590 59.191 -0.601 RESID 310 (R): CB 29.820 29.820 30.155 -0.335 RESID 310 (R): H 8.463 8.463 7.601 0.862 RESID 311 (L): N 119.200 119.200 119.952 -0.752 RESID 311 (L): C 178.800 178.800 178.737 0.063 RESID 311 (L): CA 58.380 58.380 58.114 0.266 RESID 311 (L): CB 42.340 42.340 41.842 0.498 RESID 311 (L): H 8.489 8.489 8.327 0.162 RESID 312 (K): N 116.500 116.500 118.753 -2.253 RESID 312 (K): C 178.000 178.000 178.414 -0.414 RESID 312 (K): CA 59.250 59.250 59.184 0.066 RESID 312 (K): CB 32.440 32.440 32.499 -0.059 RESID 312 (K): H 7.955 7.955 8.247 -0.292 RESID 313 (A): N 119.500 119.500 120.762 -1.262 RESID 313 (A): C 180.000 180.000 178.690 1.310 RESID 313 (A): CA 53.920 53.920 53.316 0.604 RESID 313 (A): CB 18.800 18.800 19.242 -0.442 RESID 313 (A): H 7.427 7.427 7.752 -0.325 RESID 314 (L): N 119.500 119.500 119.142 0.358 RESID 314 (L): C 177.400 177.400 176.446 0.954 RESID 314 (L): CA 56.770 56.770 57.231 -0.461 RESID 314 (L): CB 43.730 43.730 42.349 1.381 RESID 314 (L): H 7.431 7.431 8.136 -0.705 N HA C CA CB H RESID 26 (W): -3.514 ----- -0.885 0.303 3.191 0.367 RESID 27 (P): ----- ----- 0.012 -0.275 4.945 ----- RESID 28 (R): -3.803 ----- -1.397 0.723 0.758 0.058 RESID 29 (Q): -0.834 ----- 0.592 -1.259 1.429 -0.084 RESID 30 (I): -1.787 ----- 0.629 -0.908 -0.548 1.072 RESID 31 (T): 3.239 ----- 0.753 -1.312 1.046 0.590 RESID 32 (D): 5.429 ----- 1.104 0.590 -1.018 1.408 RESID 33 (S): -4.474 ----- -0.563 0.370 -0.373 -0.232 RESID 34 (R): -2.371 ----- -0.635 -3.652 0.188 0.381 RESID 35 (G): 5.138 ----- -2.254 -0.508 ----- -0.763 RESID 36 (T): 0.447 ----- 0.944 0.088 -0.188 0.534 RESID 37 (H): 0.462 ----- 0.734 -1.294 -2.019 0.362 RESID 38 (T): 4.155 ----- 1.363 2.107 -1.232 1.549 RESID 39 (L): 7.170 ----- 0.093 0.517 -0.888 0.437 RESID 40 (E): -1.601 ----- -0.319 0.293 0.483 0.134 RESID 41 (S): -1.879 ----- -1.492 -0.912 0.615 -0.157 RESID 42 (Q): 3.335 ----- -0.151 -2.011 0.536 -1.255 RESID 43 (P): ----- ----- -0.384 0.791 0.081 ----- RESID 44 (Q): 2.618 ----- -0.639 -1.573 2.914 2.620 RESID 45 (R): 8.246 ----- 0.495 0.083 0.003 2.441 RESID 47 (V): ----- ----- 0.349 -0.258 -0.245 ----- RESID 48 (S): -1.969 ----- 1.923 -1.910 -1.108 -0.651 RESID 49 (T): 4.132 ----- -2.918 0.969 -0.380 -0.365 RESID 50 (S): -0.386 ----- -0.583 -1.989 -0.086 -0.101 RESID 51 (V): 5.260 ----- -2.724 -0.432 -0.193 0.235 RESID 52 (T): 0.840 ----- 3.389 0.476 0.486 -0.166 RESID 53 (L): 1.453 ----- 0.527 -0.742 0.867 -0.501 RESID 54 (T): 1.788 ----- -1.737 -0.649 ----- -0.083 RESID 55 (G): -3.681 ----- -0.179 0.312 ----- -1.277 RESID 56 (S): -0.777 ----- -1.157 1.977 1.977 -1.254 RESID 58 (L): ----- ----- 1.776 -0.286 -0.094 ----- RESID 59 (A): -0.737 ----- -0.311 0.745 -0.324 -0.291 RESID 60 (I): ----- ----- -1.540 0.161 0.457 ----- RESID 61 (D): -2.389 ----- 0.239 0.049 -0.036 0.005 RESID 62 (A): -3.123 ----- 2.685 -0.845 -1.625 0.094 RESID 63 (P): ----- ----- -2.113 0.605 -4.703 ----- RESID 64 (V): 3.861 ----- -0.919 -1.454 -0.784 0.435 RESID 65 (I): -4.204 ----- 1.092 -2.988 1.329 0.233 RESID 66 (A): 3.296 ----- -0.025 0.596 1.422 -0.433 RESID 67 (S): -5.056 ----- 2.257 -2.081 -2.430 0.237 RESID 68 (G): 5.646 ----- -1.605 2.095 ----- -1.050 RESID 69 (A): -2.743 ----- 2.606 -0.748 2.522 -0.842 RESID 70 (T): 5.799 ----- -2.633 -2.318 1.193 0.929 RESID 71 (T): -4.785 ----- -0.373 0.218 1.496 -0.859 RESID 72 (P): ----- ----- 0.967 -0.212 0.726 ----- RESID 73 (N): -4.600 ----- -1.626 0.737 -1.462 -0.706 RESID 74 (N): ----- ----- -1.148 5.006 0.347 ----- RESID 75 (R): -6.320 ----- -0.153 1.087 1.044 -0.290 RESID 76 (V): -10.277 ----- 0.072 -2.909 2.037 -0.828 RESID 77 (A): 5.890 ----- -1.077 -1.030 5.116 0.723 RESID 78 (D): 1.780 ----- 2.209 -0.944 0.360 0.431 RESID 79 (D): 0.849 ----- 0.280 1.073 0.868 -0.166 RESID 80 (Q): -4.378 ----- -1.185 -1.521 2.400 -0.176 RESID 81 (G): -0.007 ----- 0.850 0.944 ----- -0.648 RESID 82 (F): 0.613 ----- -0.435 -4.266 -2.622 0.297 RESID 83 (L): ----- ----- 0.958 0.357 -3.491 ----- RESID 84 (R): 0.315 ----- 0.759 3.455 1.647 -0.685 RESID 85 (Q): -2.580 ----- -2.674 0.211 -3.170 1.865 RESID 86 (W): -6.509 ----- -1.777 -5.070 -2.069 -1.942 RESID 87 (S): 3.724 ----- 1.450 0.639 ----- -1.261 RESID 88 (K): -3.937 ----- 0.177 0.477 -0.088 0.983 RESID 89 (V): 6.331 ----- 0.802 0.081 0.501 -0.696 RESID 90 (A): -0.416 ----- 1.084 1.371 1.442 0.684 RESID 91 (K): -0.419 ----- 3.021 1.001 0.002 -0.252 RESID 92 (E): 5.067 ----- 1.507 2.288 -0.662 0.481 RESID 93 (R): -3.138 ----- 0.328 0.789 -1.526 -0.273 RESID 94 (K): 1.007 ----- 0.560 -0.656 -1.495 -0.677 RESID 95 (L): -1.821 ----- 0.359 0.905 1.173 0.058 RESID 96 (Q): 0.634 ----- -1.215 0.678 0.273 -0.881 RESID 97 (R): 6.454 ----- 0.568 -1.053 1.617 0.495 RESID 98 (L): 3.496 ----- -0.411 2.432 3.319 -0.474 RESID 99 (Y): -2.097 ----- -1.390 -0.817 -0.999 -1.361 RESID 100 (I): -6.216 ----- -0.344 -1.792 3.595 0.108 RESID 101 (G): 0.869 ----- -0.700 2.209 ----- -0.258 RESID 102 (E): 10.898 ----- -0.786 0.474 2.033 0.287 RESID 103 (P): ----- ----- -0.844 -1.391 -0.095 ----- RESID 104 (S): -5.247 ----- 0.154 -3.174 -0.090 -2.566 RESID 105 (A): 0.260 ----- 0.353 0.741 -0.893 0.327 RESID 106 (E): 0.382 ----- 0.443 1.248 -0.472 0.138 RESID 107 (A): -0.784 ----- 0.317 -0.431 0.849 -0.160 RESID 108 (V): -1.692 ----- -0.935 1.150 0.335 -0.531 RESID 109 (A): -1.952 ----- 1.751 0.535 -0.222 0.079 RESID 110 (A): -0.753 ----- 0.260 -0.257 -0.034 -0.312 RESID 111 (Q): -1.021 ----- -1.040 0.924 -0.213 -0.292 RESID 112 (M): -6.194 ----- 0.038 0.382 -1.444 -0.058 RESID 113 (P): ----- ----- 0.390 0.237 0.327 ----- RESID 114 (D): -2.143 ----- -0.040 -2.083 -1.946 0.640 RESID 115 (L): ----- ----- 0.587 -1.312 ----- ----- RESID 116 (I): -2.675 ----- ----- 0.175 ----- 1.235 RESID 118 (I): ----- ----- -1.041 0.465 1.227 ----- RESID 119 (S): 0.011 ----- 0.617 -0.623 0.712 1.005 RESID 120 (A): 1.341 ----- -0.530 -0.051 1.506 -0.539 RESID 121 (T): -3.697 ----- -0.387 -2.461 1.688 -0.364 RESID 122 (G): -7.202 ----- 3.025 -0.792 ----- 0.118 RESID 123 (G): ----- ----- -0.226 1.035 ----- ----- RESID 124 (D): -2.253 ----- 1.174 -0.577 0.045 0.890 RESID 125 (S): -3.993 ----- 1.725 0.107 0.112 -1.114 RESID 126 (A): 4.824 ----- -1.966 -2.369 -2.230 0.209 RESID 127 (L): 0.003 ----- 0.566 1.451 1.227 -0.791 RESID 128 (A): 3.487 ----- 0.786 0.855 -0.499 1.302 RESID 129 (L): 0.631 ----- -0.849 -1.300 -0.420 0.351 RESID 130 (Y): -0.865 ----- 0.355 1.493 1.022 -1.105 RESID 131 (D): 1.150 ----- -0.119 0.606 0.279 0.908 RESID 132 (Q): -1.050 ----- 0.202 0.330 0.553 -0.164 RESID 133 (L): -0.485 ----- -0.704 0.200 -0.795 -0.454 RESID 134 (S): -2.929 ----- -0.588 -0.192 0.730 -0.348 RESID 135 (T): -4.971 ----- -1.317 -2.086 0.659 -0.609 RESID 136 (I): 3.911 ----- 0.222 -0.075 0.302 0.332 RESID 137 (A): 1.853 ----- -1.688 -0.093 -0.177 -0.439 RESID 138 (P): ----- ----- -1.451 1.059 0.108 ----- RESID 139 (T): 2.242 ----- -0.001 -1.484 1.832 -0.155 RESID 140 (L): ----- ----- 0.612 -0.731 0.474 ----- RESID 141 (I): -1.825 ----- 1.023 -0.837 0.882 1.466 RESID 142 (I): 1.926 ----- 0.197 -1.898 -2.501 0.025 RESID 143 (N): 4.685 ----- 0.531 -1.929 0.093 0.731 RESID 144 (Y): -6.449 ----- 1.638 -3.890 -0.003 -0.064 RESID 145 (D): 0.886 ----- 1.796 -0.236 3.354 0.458 RESID 146 (D): 4.162 ----- -0.085 -0.405 -1.713 -1.013 RESID 147 (K): -5.744 ----- -0.280 -1.543 -1.768 -0.538 RESID 148 (S): -0.476 ----- -0.374 -0.052 0.687 0.221 RESID 149 (W): 1.854 ----- 2.076 1.328 -0.728 -0.117 RESID 150 (Q): 3.190 ----- 0.304 3.381 -1.201 1.617 RESID 151 (S): 1.340 ----- 0.520 0.597 0.598 0.009 RESID 152 (L): 2.390 ----- 0.549 0.400 0.278 0.073 RESID 153 (L): 0.556 ----- 1.043 1.430 -0.102 0.932 RESID 154 (T): 3.513 ----- 0.310 1.318 0.532 0.147 RESID 155 (Q): 3.515 ----- 1.205 1.378 0.272 0.319 RESID 156 (L): ----- ----- 1.640 0.620 -0.129 ----- RESID 157 (G): 5.776 ----- -0.565 1.784 ----- 1.227 RESID 158 (E): 4.869 ----- 0.672 1.280 0.321 0.017 RESID 160 (T): ----- ----- 2.312 -1.195 2.651 ----- RESID 161 (G): -0.240 ----- 0.455 1.241 ----- -0.871 RESID 162 (H): 4.984 ----- -2.154 -0.449 -2.997 0.676 RESID 163 (E): 1.749 ----- 2.333 1.430 -0.435 1.540 RESID 164 (K): 0.242 ----- -0.091 -0.441 0.311 0.399 RESID 165 (Q): 2.191 ----- 0.673 2.031 -0.265 -0.479 RESID 166 (A): -1.336 ----- -1.421 1.318 0.226 -0.139 RESID 167 (A): -3.009 ----- 1.888 -0.148 -0.310 -1.086 RESID 168 (E): 1.516 ----- 0.472 -0.003 0.451 0.324 RESID 170 (I): ----- ----- 0.001 1.571 1.359 ----- RESID 171 (A): -2.466 ----- 1.359 -0.345 0.147 -0.775 RESID 172 (Q): 2.577 ----- 0.621 0.717 -0.262 0.640 RESID 173 (F): -0.152 ----- -1.012 1.594 0.363 -0.327 RESID 174 (D): 0.911 ----- 1.422 0.543 -0.089 -0.267 RESID 175 (K): 1.088 ----- 1.165 -0.008 0.316 -0.050 RESID 176 (Q): 2.101 ----- 0.769 -0.477 -0.535 0.340 RESID 177 (L): 5.998 ----- -0.270 2.652 -0.159 1.206 RESID 178 (A): -1.043 ----- 1.364 0.200 0.085 -0.536 RESID 179 (A): -0.786 ----- 0.715 0.327 -0.401 0.049 RESID 180 (A): -0.032 ----- 0.094 0.743 -0.256 0.178 RESID 181 (K): 0.146 ----- -0.078 0.611 0.702 0.034 RESID 182 (E): -2.134 ----- -0.158 0.761 1.053 -0.602 RESID 183 (Q): -0.713 ----- 1.002 0.201 0.447 -0.178 RESID 184 (I): 1.964 ----- 0.956 3.254 0.340 0.290 RESID 185 (K): 4.751 ----- -0.031 -0.574 -2.897 0.831 RESID 186 (L): -1.021 ----- -0.213 2.352 0.378 -0.424 RESID 188 (P): ----- ----- -1.457 1.471 1.004 ----- RESID 189 (Q): 0.245 ----- 1.874 -2.399 0.997 -0.165 RESID 190 (P): ----- ----- -0.046 0.354 2.629 ----- RESID 191 (V): -8.982 ----- 0.331 0.213 0.344 0.714 RESID 192 (T): 7.302 ----- 0.211 3.513 0.292 0.138 RESID 193 (A): 9.898 ----- -0.011 -0.551 -0.299 1.612 RESID 194 (I): -2.054 ----- 2.913 -0.466 1.806 0.737 RESID 195 (V): -4.201 ----- 2.135 1.805 0.110 -0.168 RESID 196 (Y): 2.734 ----- 0.558 -0.418 1.069 1.002 RESID 197 (T): 1.515 ----- 0.926 0.114 -3.019 0.428 RESID 198 (A): -0.293 ----- 1.167 1.161 0.076 -0.336 RESID 199 (A): -4.830 ----- -1.005 -0.509 0.415 0.293 RESID 200 (A): -3.807 ----- -0.648 -0.766 1.313 -1.460 RESID 201 (H): 0.327 ----- -0.504 0.366 -0.425 -0.225 RESID 202 (S): -3.946 ----- 0.049 -1.071 -0.130 -0.695 RESID 203 (A): -2.924 ----- -0.380 -0.541 2.312 0.312 RESID 204 (N): 0.093 ----- -0.141 -0.552 -2.114 0.101 RESID 205 (L): 5.538 ----- 0.143 0.864 1.504 1.643 RESID 206 (W): 1.722 ----- 1.026 -0.844 -1.186 0.644 RESID 207 (T): 1.872 ----- 2.924 0.970 -1.938 -0.101 RESID 208 (P): ----- ----- -0.859 0.713 -0.216 ----- RESID 209 (E): -2.732 ----- 0.289 0.059 -0.383 -0.352 RESID 210 (S): 0.748 ----- -1.632 -1.146 2.856 0.226 RESID 211 (A): -2.135 ----- 0.755 0.087 -0.232 -0.145 RESID 212 (Q): 0.567 ----- -0.917 2.441 -0.326 0.020 RESID 213 (G): -0.147 ----- -0.914 0.692 ----- -0.245 RESID 214 (Q): -0.792 ----- 0.608 0.280 0.418 0.421 RESID 215 (M): -1.419 ----- -0.366 0.114 -0.795 -0.304 RESID 216 (L): -3.042 ----- 0.868 0.498 -1.455 -0.472 RESID 217 (E): 1.331 ----- 2.969 1.295 -0.275 0.190 RESID 218 (Q): 5.203 ----- -0.774 0.964 -0.285 0.536 RESID 219 (L): 0.694 ----- -2.245 -1.345 1.460 -0.354 RESID 220 (G): 1.915 ----- 1.773 0.063 ----- -0.390 RESID 221 (F): 0.180 ----- 0.858 1.940 -3.854 0.223 RESID 222 (T): 1.603 ----- 0.523 0.571 1.612 0.397 RESID 223 (L): 1.207 ----- 1.661 1.350 -1.139 1.062 RESID 224 (A): -1.284 ----- 1.541 1.473 -2.183 0.963 RESID 225 (K): 2.226 ----- 0.608 0.023 0.174 0.237 RESID 226 (L): -1.801 ----- -0.107 -0.542 0.474 0.113 RESID 227 (P): ----- ----- -0.279 -0.025 0.171 ----- RESID 228 (A): 0.032 ----- 0.998 0.688 0.008 -0.103 RESID 229 (G): 0.195 ----- -0.966 0.612 ----- 0.463 RESID 230 (L): -1.176 ----- -1.475 0.102 0.956 -0.409 RESID 231 (N): -0.447 ----- -0.617 -2.460 0.957 0.203 RESID 232 (A): 4.978 ----- 0.041 1.349 1.342 0.149 RESID 233 (S): 0.016 ----- -0.470 -1.679 0.945 -0.265 RESID 234 (Q): 1.449 ----- 0.740 0.162 -1.363 0.466 RESID 235 (S): -1.078 ----- 0.262 0.055 1.663 -0.207 RESID 236 (Q): -4.846 ----- 1.240 1.088 1.692 -0.450 RESID 237 (G): 1.323 ----- 1.145 0.242 ----- 0.785 RESID 238 (K): -0.938 ----- 1.123 0.454 0.562 -0.388 RESID 239 (R): -4.112 ----- ----- 0.200 0.650 -0.341 RESID 240 (H): ----- ----- -1.711 -2.949 -0.308 ----- RESID 241 (D): 0.558 ----- -1.565 -0.468 -0.666 0.665 RESID 242 (I): 0.254 ----- 1.161 0.020 2.705 -0.315 RESID 243 (I): -1.271 ----- 1.035 -0.281 2.859 0.265 RESID 244 (Q): 0.708 ----- 1.089 1.338 0.157 0.228 RESID 245 (L): 2.780 ----- -0.284 1.028 0.084 0.374 RESID 246 (G): 4.612 ----- -0.126 -0.458 ----- -0.024 RESID 247 (G): -0.151 ----- 1.824 3.164 ----- 0.920 RESID 248 (E): 2.489 ----- 0.800 1.042 0.200 0.443 RESID 249 (N): 0.010 ----- -0.531 -0.058 0.539 0.111 RESID 250 (L): 1.161 ----- -1.007 1.760 0.758 -0.698 RESID 251 (A): -4.987 ----- 1.335 0.684 -0.428 -0.172 RESID 252 (A): -1.173 ----- 0.780 1.596 0.008 -1.038 RESID 253 (G): -7.297 ----- -2.092 0.364 ----- 0.043 RESID 254 (L): 1.951 ----- -2.274 -1.845 -3.013 -0.597 RESID 255 (N): -7.699 ----- 0.350 -0.585 -1.228 -1.141 RESID 256 (G): 2.520 ----- -2.367 0.450 ----- -0.699 RESID 257 (E): 1.294 ----- 1.334 1.289 -0.827 -0.191 RESID 258 (S): -6.244 ----- 0.081 -0.541 2.603 -0.844 RESID 259 (L): -2.664 ----- -2.569 -0.727 3.855 0.922 RESID 260 (F): 0.683 ----- -1.831 1.505 1.087 1.144 RESID 261 (L): 3.721 ----- 0.508 0.810 -4.029 0.847 RESID 262 (F): 1.454 ----- -0.158 2.013 1.420 0.246 RESID 263 (A): -2.206 ----- -1.724 0.954 2.885 0.591 RESID 264 (G): -7.075 ----- -1.627 0.488 ----- -1.128 RESID 265 (D): -0.361 ----- 0.034 -1.110 0.576 0.935 RESID 266 (Q): -1.204 ----- 0.141 -0.450 -0.158 -0.328 RESID 267 (K): -1.080 ----- 2.312 -0.163 -0.345 -0.042 RESID 268 (D): 1.950 ----- -0.940 1.007 1.298 -0.471 RESID 269 (A): 0.209 ----- 0.581 0.711 -0.703 -0.256 RESID 270 (D): 0.220 ----- 2.790 1.272 -0.383 0.781 RESID 271 (A): 2.997 ----- 1.478 1.474 -1.012 0.551 RESID 272 (I): -120.458 ----- 1.336 -0.782 -2.419 -1.066 RESID 273 (Y): -0.679 ----- 0.216 2.830 1.941 0.216 RESID 274 (A): -3.245 ----- 0.032 -0.979 0.169 -0.342 RESID 275 (N): 1.670 ----- 1.687 -0.371 1.583 -0.756 RESID 276 (P): ----- ----- 0.410 -0.269 0.400 ----- RESID 277 (L): -0.714 ----- -0.893 -0.910 0.215 -0.146 RESID 278 (L): -1.462 ----- -1.252 -1.708 -0.344 -0.194 RESID 279 (A): -4.518 ----- -0.112 0.721 1.111 -1.227 RESID 280 (H): -3.685 ----- 0.291 -0.912 0.906 0.134 RESID 281 (L): 1.604 ----- 0.435 0.369 -1.464 -0.152 RESID 282 (P): ----- ----- -0.176 0.375 0.424 ----- RESID 283 (A): -3.208 ----- -0.847 0.444 1.304 -0.455 RESID 284 (V): -3.324 ----- 1.077 -0.243 1.737 -1.124 RESID 285 (Q): 0.758 ----- 0.348 0.700 0.475 0.761 RESID 286 (N): -1.375 ----- 0.649 0.442 -0.357 0.090 RESID 287 (K): 2.068 ----- 0.228 0.338 -0.895 0.023 RESID 288 (Q): 3.101 ----- -0.228 -1.744 -0.454 0.542 RESID 289 (V): 0.729 ----- 0.116 0.601 -1.127 -1.225 RESID 290 (Y): 0.977 ----- -0.290 0.184 -1.435 -0.410 RESID 291 (A): 4.896 ----- 1.538 1.183 -1.570 0.403 RESID 292 (L): 0.997 ----- -0.730 0.638 0.227 -0.576 RESID 293 (G): 3.643 ----- 3.517 0.670 ----- 0.583 RESID 294 (T): 1.055 ----- 0.388 0.043 -0.856 0.232 RESID 295 (E): 2.166 ----- 1.091 0.202 0.244 1.537 RESID 296 (T): -5.620 ----- -0.745 1.080 1.383 -0.849 RESID 297 (F): -1.589 ----- -1.363 0.697 -0.126 0.325 RESID 298 (R): -2.961 ----- 0.902 -1.590 1.366 -0.673 RESID 299 (L): -1.284 ----- 0.510 0.263 -2.270 0.544 RESID 300 (D): 2.282 ----- -2.066 -1.117 0.526 -0.920 RESID 301 (Y): -2.961 ----- -0.884 -1.620 0.068 -1.000 RESID 302 (Y): -3.125 ----- 3.132 1.107 -0.108 -0.808 RESID 303 (S): 3.234 ----- -0.280 -0.519 1.082 -0.013 RESID 304 (A): 1.107 ----- 1.009 1.067 0.190 0.954 RESID 305 (M): -1.369 ----- 0.426 -1.875 -1.043 -0.167 RESID 306 (Q): 0.430 ----- 0.171 0.520 -0.376 -0.151 RESID 308 (L): ----- ----- 0.218 0.268 0.408 ----- RESID 309 (D): -0.005 ----- 0.709 0.260 0.493 -0.073 RESID 310 (R): 1.109 ----- 0.169 -0.601 -0.335 0.862 RESID 311 (L): -0.752 ----- 0.063 0.266 0.498 0.162 RESID 312 (K): -2.253 ----- -0.414 0.066 -0.059 -0.292 RESID 313 (A): -1.262 ----- 1.310 0.604 -0.442 -0.325 RESID 314 (L): 0.358 ----- 0.954 -0.461 1.381 -0.705 DATA CS_STAT_INFO N RMS: 8.228 ppm Count: 256 Average Difference: 0.471 +/- 8.231 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.223 ppm Count: 281 Average Difference: -0.163 +/- 1.215 ppm DATA CS_STAT_INFO CA RMS: 1.335 ppm Count: 283 Average Difference: -0.108 +/- 1.333 ppm DATA CS_STAT_INFO CB RMS: 1.427 ppm Count: 260 Average Difference: -0.162 +/- 1.421 ppm DATA CS_STAT_INFO HN RMS: 0.718 ppm Count: 256 Average Difference: -0.015 +/- 0.719 ppm ############################################################################ For conformer 20: Atom Original Corrected SPARTA Difference RESID 25 (D): N 120.600 120.600 120.654 -0.054 RESID 25 (D): C 174.400 174.400 175.903 -1.503 RESID 25 (D): CA 55.230 55.230 53.061 2.169 RESID 25 (D): CB 41.340 41.340 41.872 -0.532 RESID 25 (D): H 8.275 8.275 8.211 0.064 RESID 26 (W): N 120.100 120.100 123.568 -3.468 RESID 26 (W): C 174.200 174.200 175.070 -0.870 RESID 26 (W): CA 55.330 55.330 54.978 0.352 RESID 26 (W): CB 31.090 31.090 27.849 3.240 RESID 26 (W): H 7.788 7.788 7.548 0.240 RESID 27 (P): C 175.900 175.900 175.904 -0.004 RESID 27 (P): CA 62.800 62.800 63.090 -0.290 RESID 27 (P): CB 37.260 37.260 32.317 4.943 RESID 28 (R): N 118.000 118.000 121.831 -3.831 RESID 28 (R): C 173.700 173.700 175.099 -1.399 RESID 28 (R): CA 55.160 55.160 54.425 0.735 RESID 28 (R): CB 33.430 33.430 32.670 0.760 RESID 28 (R): H 8.686 8.686 8.619 0.067 RESID 29 (Q): N 120.800 120.800 121.675 -0.875 RESID 29 (Q): C 175.500 175.500 174.911 0.589 RESID 29 (Q): CA 54.780 54.780 56.033 -1.253 RESID 29 (Q): CB 30.700 30.700 29.253 1.447 RESID 29 (Q): H 8.506 8.506 8.585 -0.079 RESID 30 (I): N 124.300 124.300 126.113 -1.813 RESID 30 (I): C 175.700 175.700 175.126 0.574 RESID 30 (I): CA 58.520 58.520 59.446 -0.926 RESID 30 (I): CB 40.680 40.680 41.164 -0.484 RESID 30 (I): H 9.002 9.002 7.915 1.087 RESID 31 (T): N 125.200 125.200 121.972 3.228 RESID 31 (T): C 174.400 174.400 173.663 0.737 RESID 31 (T): CA 62.150 62.150 63.484 -1.334 RESID 31 (T): CB 70.640 70.640 69.585 1.055 RESID 31 (T): H 8.989 8.989 8.400 0.589 RESID 32 (D): N 129.500 129.500 123.786 5.714 RESID 32 (D): C 177.400 177.400 175.964 1.436 RESID 32 (D): CA 52.630 52.630 51.836 0.794 RESID 32 (D): CB 42.950 42.950 43.439 -0.489 RESID 32 (D): H 9.389 9.389 7.976 1.413 RESID 33 (S): N 111.900 111.900 116.324 -4.424 RESID 33 (S): C 175.600 175.600 176.168 -0.568 RESID 33 (S): CA 60.920 60.920 60.494 0.426 RESID 33 (S): CB 63.430 63.430 63.815 -0.385 RESID 33 (S): H 8.075 8.075 8.292 -0.217 RESID 34 (R): N 120.600 120.600 122.987 -2.387 RESID 34 (R): C 176.100 176.100 176.728 -0.628 RESID 34 (R): CA 55.020 55.020 58.677 -3.657 RESID 34 (R): CB 30.850 30.850 30.678 0.172 RESID 34 (R): H 8.433 8.433 7.954 0.479 RESID 35 (G): N 108.900 108.900 103.740 5.160 RESID 35 (G): C 171.200 171.200 173.452 -2.252 RESID 35 (G): CA 45.060 45.060 45.559 -0.499 RESID 35 (G): H 7.837 7.837 8.593 -0.756 RESID 36 (T): N 116.300 116.300 116.156 0.144 RESID 36 (T): C 173.800 173.800 173.017 0.783 RESID 36 (T): CA 62.670 62.670 62.647 0.023 RESID 36 (T): CB 70.000 70.000 70.078 -0.078 RESID 36 (T): H 8.192 8.192 7.608 0.584 RESID 37 (H): N 125.800 125.800 125.320 0.480 RESID 37 (H): C 174.000 174.000 173.277 0.723 RESID 37 (H): CA 54.060 54.060 55.325 -1.265 RESID 37 (H): CB 31.020 31.020 33.034 -2.014 RESID 37 (H): H 8.986 8.986 8.625 0.361 RESID 38 (T): N 121.500 121.500 117.041 4.459 RESID 38 (T): C 174.200 174.200 172.802 1.398 RESID 38 (T): CA 63.190 63.190 61.065 2.125 RESID 38 (T): CB 70.080 70.080 71.330 -1.250 RESID 38 (T): H 9.101 9.101 7.486 1.615 RESID 39 (L): N 129.600 129.600 122.355 7.245 RESID 39 (L): C 176.900 176.900 176.800 0.100 RESID 39 (L): CA 53.990 53.990 53.468 0.522 RESID 39 (L): CB 43.160 43.160 44.099 -0.939 RESID 39 (L): H 9.145 9.145 8.684 0.461 RESID 40 (E): N 124.300 124.300 125.847 -1.547 RESID 40 (E): C 175.600 175.600 175.922 -0.322 RESID 40 (E): CA 59.420 59.420 59.135 0.285 RESID 40 (E): CB 30.710 30.710 30.223 0.487 RESID 40 (E): H 9.164 9.164 9.027 0.137 RESID 41 (S): N 108.300 108.300 110.171 -1.871 RESID 41 (S): C 171.700 171.700 173.191 -1.491 RESID 41 (S): CA 56.270 56.270 57.158 -0.888 RESID 41 (S): CB 65.420 65.420 64.805 0.615 RESID 41 (S): H 7.326 7.326 7.483 -0.157 RESID 42 (Q): N 123.900 123.900 120.587 3.313 RESID 42 (Q): C 174.600 174.600 174.748 -0.148 RESID 42 (Q): CA 53.730 53.730 55.759 -2.029 RESID 42 (Q): CB 28.470 28.470 27.915 0.555 RESID 42 (Q): H 7.339 7.339 8.602 -1.263 RESID 43 (P): C 176.300 176.300 176.668 -0.368 RESID 43 (P): CA 64.080 64.080 63.294 0.786 RESID 43 (P): CB 32.510 32.510 32.414 0.096 RESID 44 (Q): N 125.100 125.100 122.478 2.622 RESID 44 (Q): C 175.400 175.400 176.023 -0.623 RESID 44 (Q): CA 55.780 55.780 57.284 -1.504 RESID 44 (Q): CB 32.660 32.660 29.812 2.848 RESID 44 (Q): H 11.160 11.160 8.530 2.630 RESID 45 (R): N 125.700 125.700 117.453 8.247 RESID 45 (R): C 174.600 174.600 174.094 0.506 RESID 45 (R): CA 55.310 55.310 55.214 0.096 RESID 45 (R): CB 33.070 33.070 33.130 -0.060 RESID 45 (R): H 10.010 10.010 7.548 2.462 RESID 47 (V): C 174.700 174.700 174.478 0.222 RESID 47 (V): CA 60.970 60.970 61.218 -0.248 RESID 47 (V): CB 34.140 34.140 34.277 -0.137 RESID 48 (S): N 118.300 118.300 120.490 -2.190 RESID 48 (S): C 175.500 175.500 173.521 1.979 RESID 48 (S): CA 55.700 55.700 57.690 -1.990 RESID 48 (S): CB 64.750 64.750 66.446 -1.696 RESID 48 (S): H 7.852 7.852 8.489 -0.637 RESID 49 (T): N 116.800 116.800 111.655 5.145 RESID 49 (T): C 171.500 171.500 174.332 -2.832 RESID 49 (T): CA 62.400 62.400 61.608 0.793 RESID 49 (T): CB 69.320 69.320 69.527 -0.207 RESID 49 (T): H 8.283 8.283 8.385 -0.102 RESID 50 (S): N 116.200 116.200 116.960 -0.760 RESID 50 (S): C 174.600 174.600 175.210 -0.610 RESID 50 (S): CA 54.640 54.640 57.090 -2.450 RESID 50 (S): CB 64.000 64.000 64.156 -0.156 RESID 50 (S): H 7.627 7.627 7.698 -0.071 RESID 51 (V): N 134.300 134.300 129.194 5.106 RESID 51 (V): C 175.100 175.100 177.886 -2.786 RESID 51 (V): CA 65.620 65.620 65.821 -0.201 RESID 51 (V): CB 31.790 31.790 31.864 -0.074 RESID 51 (V): H 9.218 9.218 9.080 0.138 RESID 52 (T): N 117.000 117.000 116.774 0.226 RESID 52 (T): C 179.700 179.700 176.503 3.197 RESID 52 (T): CA 67.390 67.390 66.349 1.041 RESID 52 (T): CB 69.130 69.130 68.601 0.529 RESID 52 (T): H 7.841 7.841 7.976 -0.135 RESID 53 (L): N 123.400 123.400 122.307 1.093 RESID 53 (L): C 178.700 178.700 178.390 0.310 RESID 53 (L): CA 57.460 57.460 58.214 -0.754 RESID 53 (L): CB 42.610 42.610 41.789 0.821 RESID 53 (L): H 8.092 8.092 8.650 -0.558 RESID 54 (T): N 117.500 117.500 115.725 1.775 RESID 54 (T): C 174.900 174.900 176.636 -1.736 RESID 54 (T): CA 67.070 67.070 67.732 -0.662 RESID 54 (T): H 8.039 8.039 8.120 -0.081 RESID 55 (G): N 105.500 105.500 109.183 -3.683 RESID 55 (G): C 175.600 175.600 175.778 -0.178 RESID 55 (G): CA 47.260 47.260 46.951 0.309 RESID 55 (G): H 6.591 6.591 7.862 -1.271 RESID 56 (S): N 117.000 117.000 117.786 -0.786 RESID 56 (S): C 175.600 175.600 176.765 -1.165 RESID 56 (S): CA 63.400 63.400 61.435 1.965 RESID 56 (S): CB 65.060 65.060 63.088 1.972 RESID 56 (S): H 6.709 6.709 7.948 -1.239 RESID 58 (L): C 181.200 181.200 179.428 1.772 RESID 58 (L): CA 57.480 57.480 57.764 -0.284 RESID 58 (L): CB 40.810 40.810 40.932 -0.122 RESID 59 (A): N 122.100 122.100 122.851 -0.751 RESID 59 (A): C 178.500 178.500 178.762 -0.262 RESID 59 (A): CA 55.540 55.540 54.799 0.741 RESID 59 (A): CB 18.440 18.440 18.761 -0.321 RESID 59 (A): H 7.797 7.797 8.111 -0.314 RESID 60 (I): C 172.700 172.700 174.242 -1.542 RESID 60 (I): CA 60.390 60.390 60.211 0.179 RESID 60 (I): CB 37.930 37.930 37.536 0.394 RESID 61 (D): N 116.200 116.200 118.681 -2.481 RESID 61 (D): C 174.800 174.800 174.571 0.229 RESID 61 (D): CA 55.850 55.850 55.794 0.056 RESID 61 (D): CB 38.930 38.930 38.971 -0.041 RESID 61 (D): H 7.736 7.736 7.737 -0.001 RESID 62 (A): N 118.900 118.900 122.071 -3.171 RESID 62 (A): C 176.800 176.800 174.120 2.680 RESID 62 (A): CA 50.040 50.040 50.899 -0.859 RESID 62 (A): CB 17.940 17.940 19.558 -1.618 RESID 62 (A): H 7.820 7.820 7.719 0.101 RESID 63 (P): C 173.600 173.600 175.720 -2.120 RESID 63 (P): CA 63.250 63.250 62.633 0.617 RESID 63 (P): CB 27.640 27.640 32.338 -4.698 RESID 64 (V): N 123.100 123.100 119.205 3.895 RESID 64 (V): C 174.800 174.800 175.714 -0.914 RESID 64 (V): CA 58.420 58.420 59.869 -1.449 RESID 64 (V): CB 33.300 33.300 34.073 -0.773 RESID 64 (V): H 8.299 8.299 7.867 0.432 RESID 65 (I): N 122.000 122.000 126.368 -4.368 RESID 65 (I): C 177.100 177.100 175.561 1.539 RESID 65 (I): CA 61.010 61.010 64.034 -3.024 RESID 65 (I): CB 39.480 39.480 38.210 1.270 RESID 65 (I): H 8.589 8.589 8.343 0.246 RESID 66 (A): N 120.700 120.700 116.467 4.233 RESID 66 (A): C 175.100 175.100 175.233 -0.133 RESID 66 (A): CA 51.300 51.300 50.617 0.683 RESID 66 (A): CB 22.980 22.980 21.529 1.451 RESID 66 (A): H 7.246 7.246 7.669 -0.423 RESID 67 (S): N 111.700 111.700 116.804 -5.104 RESID 67 (S): C 176.500 176.500 174.211 2.289 RESID 67 (S): CA 55.230 55.230 57.303 -2.074 RESID 67 (S): CB 65.300 65.300 67.722 -2.422 RESID 67 (S): H 8.561 8.561 8.330 0.231 RESID 68 (G): N 112.900 112.900 107.248 5.652 RESID 68 (G): C 171.000 171.000 172.611 -1.611 RESID 68 (G): CA 46.580 46.580 44.512 2.068 RESID 68 (G): H 7.604 7.604 8.657 -1.053 RESID 69 (A): N 122.300 122.300 125.986 -3.686 RESID 69 (A): C 177.900 177.900 175.230 2.670 RESID 69 (A): CA 51.280 51.280 52.453 -1.173 RESID 69 (A): CB 23.440 23.440 21.379 2.061 RESID 69 (A): H 7.402 7.402 8.220 -0.818 RESID 70 (T): N 119.600 119.600 114.162 5.438 RESID 70 (T): C 171.400 171.400 174.129 -2.729 RESID 70 (T): CA 58.150 58.150 61.292 -3.142 RESID 70 (T): CB 70.880 70.880 69.755 1.125 RESID 70 (T): H 9.171 9.171 8.156 1.015 RESID 71 (T): N 116.500 116.500 121.868 -5.368 RESID 71 (T): C 172.500 172.500 172.918 -0.418 RESID 71 (T): CA 61.680 61.680 61.632 0.048 RESID 71 (T): CB 70.490 70.490 68.932 1.558 RESID 71 (T): H 7.663 7.663 8.467 -0.804 RESID 72 (P): C 177.100 177.100 176.136 0.964 RESID 72 (P): CA 63.390 63.390 63.580 -0.190 RESID 72 (P): CB 32.940 32.940 32.221 0.719 RESID 73 (N): N 115.200 115.200 119.803 -4.603 RESID 73 (N): C 174.600 174.600 176.228 -1.628 RESID 73 (N): CA 54.570 54.570 53.824 0.746 RESID 73 (N): CB 37.020 37.020 38.484 -1.464 RESID 73 (N): H 7.990 7.990 8.698 -0.708 RESID 74 (N): C 175.800 175.800 176.973 -1.173 RESID 74 (N): CA 60.660 60.660 55.653 5.007 RESID 74 (N): CB 38.070 38.070 37.717 0.353 RESID 75 (R): N 114.600 114.600 120.945 -6.345 RESID 75 (R): C 177.400 177.400 177.559 -0.159 RESID 75 (R): CA 59.940 59.940 58.869 1.071 RESID 75 (R): CB 31.110 31.110 30.060 1.050 RESID 75 (R): H 8.049 8.049 8.339 -0.290 RESID 76 (V): N 107.100 107.100 117.336 -10.236 RESID 76 (V): C 176.000 176.000 175.940 0.060 RESID 76 (V): CA 61.110 61.110 64.037 -2.927 RESID 76 (V): CB 33.590 33.590 31.549 2.041 RESID 76 (V): H 7.356 7.356 8.181 -0.825 RESID 77 (A): N 126.900 126.900 121.010 5.890 RESID 77 (A): C 176.500 176.500 177.570 -1.070 RESID 77 (A): CA 51.390 51.390 52.424 -1.034 RESID 77 (A): CB 24.260 24.260 19.142 5.117 RESID 77 (A): H 7.873 7.873 7.154 0.719 RESID 78 (D): N 118.700 118.700 116.912 1.788 RESID 78 (D): C 178.100 178.100 175.889 2.211 RESID 78 (D): CA 51.970 51.970 52.907 -0.937 RESID 78 (D): CB 41.360 41.360 40.997 0.363 RESID 78 (D): H 8.607 8.607 8.176 0.431 RESID 79 (D): N 116.600 116.600 115.737 0.863 RESID 79 (D): C 176.400 176.400 176.116 0.284 RESID 79 (D): CA 56.030 56.030 54.970 1.060 RESID 79 (D): CB 40.100 40.100 39.233 0.867 RESID 79 (D): H 8.258 8.258 8.423 -0.165 RESID 80 (Q): N 117.200 117.200 121.553 -4.353 RESID 80 (Q): C 175.700 175.700 176.877 -1.177 RESID 80 (Q): CA 54.970 54.970 56.484 -1.514 RESID 80 (Q): CB 30.840 30.840 28.455 2.385 RESID 80 (Q): H 8.160 8.160 8.339 -0.179 RESID 81 (G): N 105.300 105.300 105.312 -0.012 RESID 81 (G): C 174.200 174.200 173.339 0.861 RESID 81 (G): CA 45.740 45.740 44.784 0.956 RESID 81 (G): H 7.419 7.419 8.065 -0.646 RESID 82 (F): N 121.700 121.700 121.088 0.612 RESID 82 (F): C 175.300 175.300 175.732 -0.432 RESID 82 (F): CA 52.530 52.530 56.781 -4.251 RESID 82 (F): CB 37.430 37.430 40.065 -2.635 RESID 82 (F): H 8.154 8.154 7.849 0.304 RESID 83 (L): C 178.400 178.400 177.423 0.977 RESID 83 (L): CA 55.550 55.550 55.207 0.343 RESID 83 (L): CB 38.480 38.480 41.968 -3.489 RESID 84 (R): N 119.000 119.000 118.648 0.352 RESID 84 (R): C 178.300 178.300 177.524 0.776 RESID 84 (R): CA 60.690 60.690 57.185 3.505 RESID 84 (R): CB 31.530 31.530 29.883 1.647 RESID 84 (R): H 7.746 7.746 8.431 -0.685 RESID 85 (Q): N 116.400 116.400 119.004 -2.604 RESID 85 (Q): C 174.700 174.700 177.364 -2.664 RESID 85 (Q): CA 58.200 58.200 57.995 0.206 RESID 85 (Q): CB 26.140 26.140 29.318 -3.178 RESID 85 (Q): H 9.838 9.838 7.971 1.867 RESID 86 (W): N 115.600 115.600 122.118 -6.518 RESID 86 (W): C 175.900 175.900 177.690 -1.790 RESID 86 (W): CA 55.320 55.320 60.413 -5.093 RESID 86 (W): CB 27.470 27.470 29.537 -2.067 RESID 86 (W): H 6.600 6.600 8.557 -1.957 RESID 87 (S): N 118.500 118.500 114.739 3.761 RESID 87 (S): C 177.300 177.300 175.826 1.474 RESID 87 (S): CA 62.340 62.340 61.819 0.521 RESID 87 (S): H 7.067 7.067 8.343 -1.276 RESID 88 (K): N 118.300 118.300 122.240 -3.940 RESID 88 (K): C 179.000 179.000 178.818 0.182 RESID 88 (K): CA 59.970 59.970 59.500 0.470 RESID 88 (K): CB 32.380 32.380 32.471 -0.091 RESID 88 (K): H 8.615 8.615 7.629 0.986 RESID 89 (V): N 120.600 120.600 114.248 6.352 RESID 89 (V): C 178.100 178.100 177.293 0.807 RESID 89 (V): CA 65.530 65.530 65.449 0.081 RESID 89 (V): CB 32.180 32.180 31.680 0.500 RESID 89 (V): H 7.089 7.089 7.811 -0.722 RESID 90 (A): N 120.700 120.700 121.100 -0.400 RESID 90 (A): C 180.000 180.000 178.904 1.096 RESID 90 (A): CA 55.490 55.490 54.108 1.382 RESID 90 (A): CB 19.130 19.130 17.699 1.431 RESID 90 (A): H 7.979 7.979 7.293 0.686 RESID 91 (K): N 117.600 117.600 118.014 -0.414 RESID 91 (K): C 180.900 180.900 177.865 3.035 RESID 91 (K): CA 59.830 59.830 58.822 1.008 RESID 91 (K): CB 32.700 32.700 32.703 -0.003 RESID 91 (K): H 7.844 7.844 8.090 -0.246 RESID 92 (E): N 122.300 122.300 117.238 5.062 RESID 92 (E): C 178.600 178.600 177.095 1.505 RESID 92 (E): CA 59.590 59.590 57.296 2.294 RESID 92 (E): CB 29.740 29.740 30.402 -0.662 RESID 92 (E): H 8.178 8.178 7.694 0.484 RESID 93 (R): N 115.300 115.300 118.441 -3.141 RESID 93 (R): C 175.000 175.000 174.682 0.318 RESID 93 (R): CA 56.320 56.320 55.528 0.792 RESID 93 (R): CB 29.390 29.390 30.919 -1.529 RESID 93 (R): H 7.776 7.776 8.047 -0.271 RESID 94 (K): N 116.800 116.800 115.037 1.763 RESID 94 (K): C 176.400 176.400 175.738 0.662 RESID 94 (K): CA 56.950 56.950 57.618 -0.668 RESID 94 (K): CB 28.870 28.870 30.310 -1.440 RESID 94 (K): H 7.697 7.697 8.410 -0.713 RESID 95 (L): N 120.600 120.600 121.672 -1.072 RESID 95 (L): C 177.200 177.200 176.920 0.280 RESID 95 (L): CA 56.710 56.710 55.986 0.724 RESID 95 (L): CB 43.480 43.480 42.459 1.021 RESID 95 (L): H 7.708 7.708 7.652 0.056 RESID 96 (Q): N 124.900 124.900 124.511 0.389 RESID 96 (Q): C 175.000 175.000 175.970 -0.970 RESID 96 (Q): CA 55.570 55.570 54.929 0.641 RESID 96 (Q): CB 30.080 30.080 29.753 0.327 RESID 96 (Q): H 7.526 7.526 8.409 -0.883 RESID 97 (R): N 126.000 126.000 119.579 6.421 RESID 97 (R): C 176.800 176.800 176.214 0.586 RESID 97 (R): CA 55.610 55.610 56.608 -0.998 RESID 97 (R): CB 31.840 31.840 30.220 1.621 RESID 97 (R): H 9.039 9.039 8.540 0.499 RESID 98 (L): N 126.500 126.500 123.059 3.441 RESID 98 (L): C 175.400 175.400 175.816 -0.416 RESID 98 (L): CA 56.610 56.610 54.199 2.411 RESID 98 (L): CB 47.140 47.140 43.793 3.347 RESID 98 (L): H 8.247 8.247 8.689 -0.442 RESID 99 (Y): N 110.000 110.000 112.022 -2.022 RESID 99 (Y): C 173.200 173.200 174.592 -1.392 RESID 99 (Y): CA 55.320 55.320 56.142 -0.822 RESID 99 (Y): CB 38.350 38.350 39.348 -0.998 RESID 99 (Y): H 6.465 6.465 7.818 -1.353 RESID 100 (I): N 120.000 120.000 126.176 -6.176 RESID 100 (I): C 176.800 176.800 177.147 -0.347 RESID 100 (I): CA 61.290 61.290 63.110 -1.820 RESID 100 (I): CB 39.980 39.980 36.404 3.576 RESID 100 (I): H 8.725 8.725 8.621 0.104 RESID 101 (G): N 114.800 114.800 113.911 0.889 RESID 101 (G): C 173.400 173.400 174.091 -0.691 RESID 101 (G): CA 47.030 47.030 44.823 2.207 RESID 101 (G): H 8.224 8.224 8.472 -0.248 RESID 102 (E): N 129.600 129.600 118.675 10.925 RESID 102 (E): C 173.700 173.700 174.468 -0.768 RESID 102 (E): CA 54.480 54.480 53.997 0.483 RESID 102 (E): CB 29.790 29.790 27.750 2.040 RESID 102 (E): H 8.294 8.294 8.002 0.292 RESID 103 (P): C 175.400 175.400 176.329 -0.929 RESID 103 (P): CA 62.040 62.040 63.545 -1.505 RESID 103 (P): CB 32.570 32.570 32.680 -0.110 RESID 104 (S): N 111.900 111.900 116.703 -4.803 RESID 104 (S): C 174.800 174.800 174.679 0.121 RESID 104 (S): CA 55.340 55.340 57.965 -2.624 RESID 104 (S): CB 64.330 64.330 64.330 0.000 RESID 104 (S): H 5.412 5.412 7.941 -2.529 RESID 105 (A): N 130.200 130.200 129.977 0.223 RESID 105 (A): C 179.400 179.400 179.069 0.331 RESID 105 (A): CA 55.070 55.070 54.291 0.778 RESID 105 (A): CB 18.210 18.210 19.053 -0.843 RESID 105 (A): H 9.211 9.211 8.907 0.304 RESID 106 (E): N 119.800 119.800 119.423 0.377 RESID 106 (E): C 179.300 179.300 178.856 0.444 RESID 106 (E): CA 60.270 60.270 59.026 1.244 RESID 106 (E): CB 28.990 28.990 29.464 -0.474 RESID 106 (E): H 8.731 8.731 8.590 0.141 RESID 107 (A): N 121.600 121.600 122.397 -0.797 RESID 107 (A): C 180.100 180.100 179.780 0.320 RESID 107 (A): CA 54.650 54.650 55.085 -0.435 RESID 107 (A): CB 19.220 19.220 18.376 0.844 RESID 107 (A): H 7.682 7.682 7.834 -0.152 RESID 108 (V): N 116.600 116.600 118.263 -1.663 RESID 108 (V): C 177.700 177.700 178.635 -0.935 RESID 108 (V): CA 66.920 66.920 65.768 1.152 RESID 108 (V): CB 31.430 31.430 31.095 0.335 RESID 108 (V): H 7.015 7.015 7.541 -0.526 RESID 109 (A): N 121.400 121.400 123.364 -1.964 RESID 109 (A): C 181.100 181.100 179.299 1.801 RESID 109 (A): CA 55.540 55.540 55.010 0.530 RESID 109 (A): CB 17.900 17.900 18.102 -0.202 RESID 109 (A): H 8.262 8.262 8.193 0.069 RESID 110 (A): N 118.800 118.800 119.546 -0.746 RESID 110 (A): C 178.900 178.900 178.641 0.259 RESID 110 (A): CA 54.300 54.300 54.547 -0.247 RESID 110 (A): CB 18.460 18.460 18.486 -0.026 RESID 110 (A): H 7.607 7.607 7.932 -0.325 RESID 111 (Q): N 113.500 113.500 114.582 -1.082 RESID 111 (Q): C 174.900 174.900 175.959 -1.059 RESID 111 (Q): CA 55.160 55.160 54.257 0.903 RESID 111 (Q): CB 28.450 28.450 28.614 -0.164 RESID 111 (Q): H 7.148 7.148 7.435 -0.287 RESID 112 (M): N 114.700 114.700 120.821 -6.121 RESID 112 (M): C 173.300 173.300 173.235 0.065 RESID 112 (M): CA 55.900 55.900 55.534 0.366 RESID 112 (M): CB 30.300 30.300 31.735 -1.435 RESID 112 (M): H 7.882 7.882 7.949 -0.067 RESID 113 (P): C 176.700 176.700 176.243 0.457 RESID 113 (P): CA 62.820 62.820 62.623 0.197 RESID 113 (P): CB 33.340 33.340 32.933 0.407 RESID 114 (D): N 115.800 115.800 118.037 -2.237 RESID 114 (D): C 175.900 175.900 175.977 -0.077 RESID 114 (D): CA 53.150 53.150 55.220 -2.070 RESID 114 (D): CB 40.990 40.990 42.859 -1.869 RESID 114 (D): H 8.850 8.850 8.232 0.618 RESID 115 (L): C 174.900 174.900 174.282 0.618 RESID 115 (L): CA 52.800 52.800 54.204 -1.404 RESID 116 (I): N 123.500 123.500 126.346 -2.846 RESID 116 (I): CA 60.270 60.270 60.379 -0.109 RESID 116 (I): H 9.340 9.340 8.006 1.334 RESID 118 (I): C 174.400 174.400 175.372 -0.972 RESID 118 (I): CA 60.250 60.250 59.821 0.430 RESID 118 (I): CB 42.610 42.610 41.602 1.008 RESID 119 (S): N 121.600 121.600 121.199 0.401 RESID 119 (S): C 175.700 175.700 175.122 0.578 RESID 119 (S): CA 57.150 57.150 57.733 -0.583 RESID 119 (S): CB 65.280 65.280 64.605 0.675 RESID 119 (S): H 9.575 9.575 8.536 1.039 RESID 120 (A): N 126.000 126.000 124.400 1.600 RESID 120 (A): C 176.900 176.900 177.380 -0.480 RESID 120 (A): CA 54.300 54.300 54.347 -0.048 RESID 120 (A): CB 20.530 20.530 18.997 1.533 RESID 120 (A): H 8.143 8.143 8.659 -0.516 RESID 121 (T): N 106.400 106.400 110.508 -4.108 RESID 121 (T): C 173.000 173.000 173.100 -0.100 RESID 121 (T): CA 59.450 59.450 61.910 -2.460 RESID 121 (T): CB 72.310 72.310 70.718 1.592 RESID 121 (T): H 7.617 7.617 7.827 -0.210 RESID 122 (G): N 104.200 104.200 110.645 -6.445 RESID 122 (G): C 177.200 177.200 174.128 3.072 RESID 122 (G): CA 44.430 44.430 45.201 -0.771 RESID 122 (G): H 7.998 7.998 7.836 0.162 RESID 123 (G): C 174.100 174.100 174.312 -0.212 RESID 123 (G): CA 46.710 46.710 45.668 1.042 RESID 124 (D): N 116.900 116.900 119.311 -2.411 RESID 124 (D): C 176.900 176.900 175.922 0.978 RESID 124 (D): CA 52.320 52.320 52.900 -0.580 RESID 124 (D): CB 40.690 40.690 40.646 0.044 RESID 124 (D): H 8.617 8.617 7.792 0.825 RESID 125 (S): N 115.100 115.100 119.193 -4.093 RESID 125 (S): C 176.900 176.900 175.248 1.652 RESID 125 (S): CA 58.750 58.750 58.675 0.076 RESID 125 (S): CB 64.190 64.190 64.052 0.138 RESID 125 (S): H 7.322 7.322 8.428 -1.106 RESID 126 (A): N 134.900 134.900 130.150 4.750 RESID 126 (A): C 176.700 176.700 178.655 -1.955 RESID 126 (A): CA 51.150 51.150 53.497 -2.347 RESID 126 (A): CB 16.850 16.850 19.084 -2.234 RESID 126 (A): H 8.837 8.837 8.580 0.257 RESID 127 (L): N 121.000 121.000 121.019 -0.019 RESID 127 (L): C 178.900 178.900 178.358 0.542 RESID 127 (L): CA 58.730 58.730 57.258 1.472 RESID 127 (L): CB 42.840 42.840 41.606 1.234 RESID 127 (L): H 7.353 7.353 8.150 -0.797 RESID 128 (A): N 121.600 121.600 118.202 3.398 RESID 128 (A): C 178.900 178.900 178.171 0.729 RESID 128 (A): CA 55.010 55.010 54.197 0.813 RESID 128 (A): CB 18.200 18.200 18.693 -0.493 RESID 128 (A): H 8.918 8.918 7.628 1.290 RESID 129 (L): N 116.800 116.800 116.256 0.544 RESID 129 (L): C 177.000 177.000 177.898 -0.898 RESID 129 (L): CA 53.930 53.930 55.191 -1.261 RESID 129 (L): CB 42.710 42.710 43.078 -0.368 RESID 129 (L): H 7.776 7.776 7.420 0.356 RESID 130 (Y): N 122.000 122.000 122.901 -0.901 RESID 130 (Y): C 177.100 177.100 176.802 0.298 RESID 130 (Y): CA 64.420 64.420 62.894 1.526 RESID 130 (Y): CB 39.470 39.470 38.416 1.054 RESID 130 (Y): H 7.891 7.891 8.989 -1.098 RESID 131 (D): N 119.000 119.000 117.828 1.172 RESID 131 (D): C 178.300 178.300 178.392 -0.092 RESID 131 (D): CA 58.040 58.040 57.412 0.628 RESID 131 (D): CB 39.660 39.660 39.361 0.299 RESID 131 (D): H 9.014 9.014 8.097 0.917 RESID 132 (Q): N 118.900 118.900 119.889 -0.989 RESID 132 (Q): C 179.100 179.100 178.824 0.276 RESID 132 (Q): CA 58.930 58.930 58.739 0.191 RESID 132 (Q): CB 29.320 29.320 28.741 0.579 RESID 132 (Q): H 7.814 7.814 7.953 -0.139 RESID 133 (L): N 119.700 119.700 119.997 -0.297 RESID 133 (L): C 177.900 177.900 178.615 -0.715 RESID 133 (L): CA 57.910 57.910 57.574 0.336 RESID 133 (L): CB 40.980 40.980 41.791 -0.811 RESID 133 (L): H 8.450 8.450 8.919 -0.469 RESID 134 (S): N 111.800 111.800 115.008 -3.208 RESID 134 (S): C 175.500 175.500 175.995 -0.495 RESID 134 (S): CA 61.160 61.160 60.835 0.325 RESID 134 (S): CB 63.450 63.450 62.668 0.782 RESID 134 (S): H 8.128 8.128 8.459 -0.331 RESID 135 (T): N 111.100 111.100 116.332 -5.232 RESID 135 (T): C 175.300 175.300 176.464 -1.164 RESID 135 (T): CA 63.230 63.230 65.268 -2.038 RESID 135 (T): CB 69.670 69.670 69.013 0.657 RESID 135 (T): H 6.953 6.953 7.594 -0.641 RESID 136 (I): N 124.400 124.400 120.432 3.968 RESID 136 (I): C 175.800 175.800 175.556 0.244 RESID 136 (I): CA 63.940 63.940 63.993 -0.053 RESID 136 (I): CB 38.870 38.870 38.525 0.345 RESID 136 (I): H 7.694 7.694 7.278 0.416 RESID 137 (A): N 120.500 120.500 118.553 1.947 RESID 137 (A): C 172.300 172.300 173.912 -1.612 RESID 137 (A): CA 50.470 50.470 50.626 -0.156 RESID 137 (A): CB 19.320 19.320 19.444 -0.124 RESID 137 (A): H 7.540 7.540 8.019 -0.479 RESID 138 (P): C 174.700 174.700 176.160 -1.460 RESID 138 (P): CA 64.700 64.700 63.460 1.240 RESID 138 (P): CB 31.610 31.610 31.869 -0.259 RESID 139 (T): N 122.000 122.000 119.926 2.074 RESID 139 (T): C 173.900 173.900 173.933 -0.033 RESID 139 (T): CA 61.630 61.630 62.957 -1.327 RESID 139 (T): CB 71.540 71.540 69.552 1.988 RESID 139 (T): H 7.990 7.990 7.991 -0.001 RESID 140 (L): C 174.900 174.900 174.303 0.597 RESID 140 (L): CA 52.740 52.740 53.529 -0.789 RESID 140 (L): CB 46.680 46.680 45.962 0.719 RESID 141 (I): N 123.500 123.500 125.930 -2.430 RESID 141 (I): C 175.700 175.700 174.583 1.117 RESID 141 (I): CA 60.250 60.250 61.265 -1.015 RESID 141 (I): CB 39.590 39.590 38.456 1.135 RESID 141 (I): H 9.345 9.345 7.913 1.432 RESID 142 (I): N 129.000 129.000 127.092 1.908 RESID 142 (I): C 174.400 174.400 174.200 0.200 RESID 142 (I): CA 57.930 57.930 59.861 -1.931 RESID 142 (I): CB 39.690 39.690 41.992 -2.302 RESID 142 (I): H 9.030 9.030 8.848 0.182 RESID 143 (N): N 129.100 129.100 124.102 4.998 RESID 143 (N): C 174.700 174.700 174.257 0.443 RESID 143 (N): CA 51.390 51.390 53.288 -1.898 RESID 143 (N): CB 39.720 39.720 39.619 0.101 RESID 143 (N): H 9.388 9.388 8.672 0.716 RESID 144 (Y): N 119.900 119.900 125.890 -5.990 RESID 144 (Y): C 176.500 176.500 174.765 1.735 RESID 144 (Y): CA 55.820 55.820 59.479 -3.659 RESID 144 (Y): CB 39.120 39.120 39.302 -0.182 RESID 144 (Y): H 8.491 8.491 8.258 0.233 RESID 145 (D): N 125.200 125.200 124.454 0.746 RESID 145 (D): C 176.800 176.800 175.036 1.764 RESID 145 (D): CA 55.220 55.220 55.430 -0.210 RESID 145 (D): CB 43.120 43.120 39.778 3.342 RESID 145 (D): H 8.800 8.800 8.360 0.440 RESID 146 (D): N 119.100 119.100 115.018 4.082 RESID 146 (D): C 175.200 175.200 175.257 -0.057 RESID 146 (D): CA 53.230 53.230 53.615 -0.385 RESID 146 (D): CB 40.760 40.760 42.457 -1.697 RESID 146 (D): H 7.571 7.571 8.624 -1.053 RESID 147 (K): N 114.100 114.100 119.864 -5.764 RESID 147 (K): C 175.000 175.000 175.277 -0.277 RESID 147 (K): CA 54.070 54.070 55.620 -1.550 RESID 147 (K): CB 33.340 33.340 35.078 -1.738 RESID 147 (K): H 7.018 7.018 7.571 -0.553 RESID 148 (S): N 118.300 118.300 118.790 -0.490 RESID 148 (S): C 175.700 175.700 176.081 -0.381 RESID 148 (S): CA 57.120 57.120 57.201 -0.081 RESID 148 (S): CB 64.970 64.970 64.262 0.708 RESID 148 (S): H 8.709 8.709 8.484 0.225 RESID 149 (W): N 121.700 121.700 119.928 1.772 RESID 149 (W): C 179.300 179.300 177.231 2.069 RESID 149 (W): CA 59.890 59.890 58.559 1.331 RESID 149 (W): CB 27.660 27.660 28.388 -0.728 RESID 149 (W): H 8.779 8.779 8.905 -0.126 RESID 150 (Q): N 124.600 124.600 121.428 3.172 RESID 150 (Q): C 178.100 178.100 177.807 0.293 RESID 150 (Q): CA 61.660 61.660 58.281 3.379 RESID 150 (Q): CB 26.550 26.550 27.756 -1.206 RESID 150 (Q): H 8.369 8.369 6.755 1.614 RESID 151 (S): N 117.500 117.500 116.373 1.127 RESID 151 (S): C 177.500 177.500 176.907 0.593 RESID 151 (S): CA 61.760 61.760 61.241 0.519 RESID 151 (S): CB 63.360 63.360 62.761 0.599 RESID 151 (S): H 7.769 7.769 7.717 0.052 RESID 152 (L): N 125.200 125.200 122.747 2.453 RESID 152 (L): C 178.700 178.700 178.139 0.561 RESID 152 (L): CA 58.320 58.320 57.933 0.387 RESID 152 (L): CB 41.980 41.980 41.690 0.290 RESID 152 (L): H 8.460 8.460 8.394 0.066 RESID 153 (L): N 119.200 119.200 118.635 0.565 RESID 153 (L): C 179.700 179.700 178.662 1.038 RESID 153 (L): CA 58.960 58.960 57.538 1.422 RESID 153 (L): CB 41.270 41.270 41.370 -0.100 RESID 153 (L): H 8.562 8.562 7.630 0.932 RESID 154 (T): N 116.300 116.300 112.803 3.497 RESID 154 (T): C 177.200 177.200 176.896 0.304 RESID 154 (T): CA 67.290 67.290 65.983 1.307 RESID 154 (T): CB 68.640 68.640 68.111 0.529 RESID 154 (T): H 8.004 8.004 7.854 0.150 RESID 155 (Q): N 124.500 124.500 121.019 3.481 RESID 155 (Q): C 179.200 179.200 178.033 1.167 RESID 155 (Q): CA 59.710 59.710 58.342 1.368 RESID 155 (Q): CB 28.620 28.620 28.369 0.251 RESID 155 (Q): H 8.230 8.230 7.934 0.296 RESID 156 (L): C 180.900 180.900 179.269 1.631 RESID 156 (L): CA 57.540 57.540 56.921 0.619 RESID 156 (L): CB 41.710 41.710 41.837 -0.126 RESID 157 (G): N 112.800 112.800 106.991 5.809 RESID 157 (G): C 174.500 174.500 175.053 -0.553 RESID 157 (G): CA 48.300 48.300 46.504 1.796 RESID 157 (G): H 9.216 9.216 8.017 1.199 RESID 158 (E): N 123.500 123.500 118.703 4.797 RESID 158 (E): C 177.800 177.800 177.181 0.619 RESID 158 (E): CA 59.120 59.120 57.905 1.215 RESID 158 (E): CB 29.700 29.700 29.394 0.306 RESID 158 (E): H 7.480 7.480 7.458 0.022 RESID 160 (T): C 178.300 178.300 175.999 2.301 RESID 160 (T): CA 61.930 61.930 63.094 -1.164 RESID 160 (T): CB 71.830 71.830 69.205 2.625 RESID 161 (G): N 113.600 113.600 113.917 -0.317 RESID 161 (G): C 174.600 174.600 174.181 0.419 RESID 161 (G): CA 48.130 48.130 46.880 1.250 RESID 161 (G): H 8.114 8.114 8.997 -0.883 RESID 162 (H): N 121.000 121.000 116.211 4.789 RESID 162 (H): C 174.000 174.000 176.204 -2.204 RESID 162 (H): CA 55.370 55.370 55.911 -0.541 RESID 162 (H): CB 28.280 28.280 31.228 -2.948 RESID 162 (H): H 8.506 8.506 7.832 0.674 RESID 163 (E): N 123.900 123.900 122.117 1.783 RESID 163 (E): C 180.800 180.800 178.473 2.327 RESID 163 (E): CA 61.160 61.160 59.751 1.409 RESID 163 (E): CB 28.720 28.720 29.140 -0.420 RESID 163 (E): H 10.300 10.300 8.767 1.533 RESID 164 (K): N 120.600 120.600 120.364 0.236 RESID 164 (K): C 178.700 178.700 178.793 -0.093 RESID 164 (K): CA 59.590 59.590 60.052 -0.462 RESID 164 (K): CB 32.280 32.280 31.972 0.308 RESID 164 (K): H 8.789 8.789 8.391 0.398 RESID 165 (Q): N 119.500 119.500 117.318 2.182 RESID 165 (Q): C 178.800 178.800 178.135 0.665 RESID 165 (Q): CA 60.870 60.870 58.839 2.031 RESID 165 (Q): CB 28.120 28.120 28.387 -0.267 RESID 165 (Q): H 8.058 8.058 8.540 -0.482 RESID 166 (A): N 121.100 121.100 122.448 -1.348 RESID 166 (A): C 178.000 178.000 179.427 -1.427 RESID 166 (A): CA 56.280 56.280 54.962 1.318 RESID 166 (A): CB 18.300 18.300 18.076 0.223 RESID 166 (A): H 7.873 7.873 8.078 -0.205 RESID 167 (A): N 117.900 117.900 120.929 -3.029 RESID 167 (A): C 181.500 181.500 179.611 1.889 RESID 167 (A): CA 55.100 55.100 55.258 -0.158 RESID 167 (A): CB 17.860 17.860 18.170 -0.310 RESID 167 (A): H 7.642 7.642 8.665 -1.023 RESID 168 (E): N 120.100 120.100 118.576 1.524 RESID 168 (E): C 179.600 179.600 179.131 0.469 RESID 168 (E): CA 59.610 59.610 59.615 -0.005 RESID 168 (E): CB 29.790 29.790 29.339 0.451 RESID 168 (E): H 8.230 8.230 7.903 0.327 RESID 170 (I): C 177.700 177.700 177.695 0.005 RESID 170 (I): CA 66.880 66.880 65.300 1.580 RESID 170 (I): CB 39.310 39.310 37.953 1.357 RESID 171 (A): N 120.700 120.700 123.182 -2.482 RESID 171 (A): C 181.200 181.200 179.837 1.363 RESID 171 (A): CA 55.290 55.290 55.640 -0.350 RESID 171 (A): CB 18.260 18.260 18.110 0.150 RESID 171 (A): H 8.000 8.000 8.777 -0.777 RESID 172 (Q): N 120.600 120.600 118.032 2.568 RESID 172 (Q): C 179.200 179.200 178.581 0.619 RESID 172 (Q): CA 59.210 59.210 58.508 0.702 RESID 172 (Q): CB 28.340 28.340 28.596 -0.256 RESID 172 (Q): H 8.585 8.585 7.942 0.643 RESID 173 (F): N 122.500 122.500 122.600 -0.100 RESID 173 (F): C 176.400 176.400 177.410 -1.010 RESID 173 (F): CA 62.710 62.710 61.107 1.603 RESID 173 (F): CB 39.490 39.490 39.122 0.368 RESID 173 (F): H 8.457 8.457 8.752 -0.295 RESID 174 (D): N 121.000 121.000 120.116 0.884 RESID 174 (D): C 180.300 180.300 178.885 1.415 RESID 174 (D): CA 58.040 58.040 57.498 0.542 RESID 174 (D): CB 40.160 40.160 40.251 -0.091 RESID 174 (D): H 8.771 8.771 9.039 -0.268 RESID 175 (K): N 121.300 121.300 120.215 1.085 RESID 175 (K): C 179.800 179.800 178.635 1.165 RESID 175 (K): CA 59.630 59.630 59.638 -0.008 RESID 175 (K): CB 32.710 32.710 32.397 0.313 RESID 175 (K): H 8.125 8.125 8.198 -0.073 RESID 176 (Q): N 121.600 121.600 119.508 2.092 RESID 176 (Q): C 179.100 179.100 178.331 0.769 RESID 176 (Q): CA 58.460 58.460 58.939 -0.479 RESID 176 (Q): CB 27.990 27.990 28.523 -0.533 RESID 176 (Q): H 8.164 8.164 7.819 0.345 RESID 177 (L): N 125.600 125.600 119.597 6.003 RESID 177 (L): C 178.400 178.400 178.669 -0.269 RESID 177 (L): CA 59.890 59.890 57.241 2.649 RESID 177 (L): CB 41.200 41.200 41.362 -0.162 RESID 177 (L): H 8.944 8.944 7.736 1.208 RESID 178 (A): N 121.500 121.500 122.554 -1.054 RESID 178 (A): C 180.600 180.600 179.230 1.370 RESID 178 (A): CA 55.390 55.390 55.194 0.196 RESID 178 (A): CB 17.970 17.970 17.881 0.089 RESID 178 (A): H 7.690 7.690 8.230 -0.540 RESID 179 (A): N 120.200 120.200 120.989 -0.789 RESID 179 (A): C 180.600 180.600 179.894 0.706 RESID 179 (A): CA 54.860 54.860 54.524 0.336 RESID 179 (A): CB 18.190 18.190 18.596 -0.406 RESID 179 (A): H 7.706 7.706 7.661 0.045 RESID 180 (A): N 121.800 121.800 121.841 -0.041 RESID 180 (A): C 179.200 179.200 179.103 0.097 RESID 180 (A): CA 55.490 55.490 54.746 0.744 RESID 180 (A): CB 17.920 17.920 18.183 -0.263 RESID 180 (A): H 8.171 8.171 8.006 0.165 RESID 181 (K): N 118.100 118.100 117.979 0.121 RESID 181 (K): C 178.000 178.000 178.089 -0.089 RESID 181 (K): CA 59.830 59.830 59.214 0.616 RESID 181 (K): CB 33.340 33.340 32.642 0.698 RESID 181 (K): H 8.342 8.342 8.326 0.016 RESID 182 (E): N 114.400 114.400 116.568 -2.168 RESID 182 (E): C 177.300 177.300 177.438 -0.138 RESID 182 (E): CA 57.870 57.870 57.127 0.743 RESID 182 (E): CB 30.320 30.320 29.249 1.071 RESID 182 (E): H 7.153 7.153 7.752 -0.599 RESID 183 (Q): N 116.700 116.700 117.384 -0.684 RESID 183 (Q): C 177.200 177.200 176.174 1.026 RESID 183 (Q): CA 57.060 57.060 56.822 0.238 RESID 183 (Q): CB 31.550 31.550 31.136 0.414 RESID 183 (Q): H 7.458 7.458 7.637 -0.179 RESID 184 (I): N 117.800 117.800 115.862 1.938 RESID 184 (I): C 175.200 175.200 174.244 0.956 RESID 184 (I): CA 63.000 63.000 59.748 3.252 RESID 184 (I): CB 40.300 40.300 39.967 0.333 RESID 184 (I): H 7.723 7.723 7.433 0.290 RESID 185 (K): N 127.700 127.700 122.732 4.968 RESID 185 (K): C 175.600 175.600 175.330 0.270 RESID 185 (K): CA 54.550 54.550 55.051 -0.501 RESID 185 (K): CB 31.600 31.600 34.359 -2.759 RESID 185 (K): H 8.743 8.743 7.938 0.805 RESID 186 (L): N 124.700 124.700 125.381 -0.681 RESID 186 (L): C 175.700 175.700 175.840 -0.140 RESID 186 (L): CA 54.240 54.240 52.162 2.078 RESID 186 (L): CB 41.050 41.050 40.785 0.265 RESID 186 (L): H 8.051 8.051 8.564 -0.513 RESID 188 (P): C 174.800 174.800 176.254 -1.454 RESID 188 (P): CA 65.060 65.060 63.589 1.471 RESID 188 (P): CB 32.670 32.670 31.683 0.987 RESID 189 (Q): N 121.300 121.300 121.087 0.213 RESID 189 (Q): C 174.800 174.800 172.917 1.883 RESID 189 (Q): CA 52.330 52.330 54.729 -2.399 RESID 189 (Q): CB 31.350 31.350 30.377 0.973 RESID 189 (Q): H 8.061 8.061 8.228 -0.167 RESID 190 (P): C 175.500 175.500 175.536 -0.036 RESID 190 (P): CA 62.820 62.820 62.472 0.348 RESID 190 (P): CB 35.450 35.450 32.815 2.635 RESID 191 (V): N 112.600 112.600 121.643 -9.043 RESID 191 (V): C 174.300 174.300 173.964 0.336 RESID 191 (V): CA 59.740 59.740 59.513 0.227 RESID 191 (V): CB 35.030 35.030 34.704 0.326 RESID 191 (V): H 9.214 9.214 8.553 0.661 RESID 192 (T): N 120.700 120.700 113.313 7.387 RESID 192 (T): C 172.300 172.300 172.086 0.214 RESID 192 (T): CA 63.030 63.030 59.533 3.497 RESID 192 (T): CB 71.550 71.550 71.250 0.300 RESID 192 (T): H 8.462 8.462 8.319 0.143 RESID 193 (A): N 132.900 132.900 122.987 9.913 RESID 193 (A): C 175.400 175.400 175.404 -0.004 RESID 193 (A): CA 50.570 50.570 51.130 -0.560 RESID 193 (A): CB 21.140 21.140 21.435 -0.295 RESID 193 (A): H 10.170 10.170 8.561 1.609 RESID 194 (I): N 115.400 115.400 117.488 -2.088 RESID 194 (I): C 176.600 176.600 173.700 2.900 RESID 194 (I): CA 59.540 59.540 60.013 -0.473 RESID 194 (I): CB 43.930 43.930 42.118 1.812 RESID 194 (I): H 9.269 9.269 8.519 0.750 RESID 195 (V): N 118.500 118.500 122.798 -4.298 RESID 195 (V): C 176.200 176.200 174.072 2.128 RESID 195 (V): CA 63.190 63.190 61.397 1.793 RESID 195 (V): CB 34.870 34.870 34.717 0.153 RESID 195 (V): H 8.484 8.484 8.642 -0.158 RESID 196 (Y): N 132.200 132.200 129.491 2.709 RESID 196 (Y): C 174.700 174.700 174.150 0.550 RESID 196 (Y): CA 57.000 57.000 57.416 -0.416 RESID 196 (Y): CB 41.250 41.250 40.196 1.054 RESID 196 (Y): H 9.989 9.989 8.986 1.003 RESID 197 (T): N 124.900 124.900 123.414 1.486 RESID 197 (T): C 174.300 174.300 173.369 0.931 RESID 197 (T): CA 60.740 60.740 60.627 0.113 RESID 197 (T): CB 68.560 68.560 71.599 -3.039 RESID 197 (T): H 8.262 8.262 7.832 0.430 RESID 198 (A): N 130.500 130.500 130.736 -0.236 RESID 198 (A): C 180.400 180.400 179.258 1.142 RESID 198 (A): CA 55.510 55.510 54.357 1.153 RESID 198 (A): CB 18.480 18.480 18.405 0.074 RESID 198 (A): H 8.524 8.524 8.853 -0.329 RESID 199 (A): N 118.700 118.700 123.568 -4.868 RESID 199 (A): C 177.700 177.700 178.696 -0.996 RESID 199 (A): CA 54.350 54.350 54.864 -0.514 RESID 199 (A): CB 18.350 18.350 17.917 0.433 RESID 199 (A): H 8.578 8.578 8.288 0.290 RESID 200 (A): N 116.700 116.700 120.526 -3.826 RESID 200 (A): C 176.600 176.600 177.251 -0.651 RESID 200 (A): CA 51.290 51.290 52.042 -0.752 RESID 200 (A): CB 20.180 20.180 18.860 1.320 RESID 200 (A): H 6.638 6.638 8.102 -1.464 RESID 201 (H): N 116.900 116.900 116.607 0.293 RESID 201 (H): C 172.900 172.900 173.399 -0.499 RESID 201 (H): CA 56.710 56.710 56.340 0.369 RESID 201 (H): CB 27.820 27.820 28.271 -0.451 RESID 201 (H): H 7.569 7.569 7.811 -0.242 RESID 202 (S): N 110.500 110.500 114.489 -3.989 RESID 202 (S): C 171.500 171.500 171.458 0.042 RESID 202 (S): CA 56.530 56.530 57.611 -1.081 RESID 202 (S): CB 66.170 66.170 66.299 -0.129 RESID 202 (S): H 7.109 7.109 7.804 -0.695 RESID 203 (A): N 120.900 120.900 123.857 -2.957 RESID 203 (A): C 174.900 174.900 175.279 -0.379 RESID 203 (A): CA 50.890 50.890 51.438 -0.548 RESID 203 (A): CB 24.510 24.510 22.206 2.304 RESID 203 (A): H 8.618 8.618 8.306 0.312 RESID 204 (N): N 118.900 118.900 118.836 0.064 RESID 204 (N): C 173.300 173.300 173.460 -0.160 RESID 204 (N): CA 51.520 51.520 52.076 -0.556 RESID 204 (N): CB 40.080 40.080 42.175 -2.095 RESID 204 (N): H 8.333 8.333 8.226 0.107 RESID 205 (L): N 127.200 127.200 121.716 5.484 RESID 205 (L): C 175.700 175.700 175.560 0.140 RESID 205 (L): CA 54.920 54.920 54.067 0.853 RESID 205 (L): CB 44.180 44.180 42.661 1.519 RESID 205 (L): H 9.265 9.265 7.611 1.654 RESID 206 (W): N 125.300 125.300 123.647 1.653 RESID 206 (W): C 177.100 177.100 176.443 0.657 RESID 206 (W): CA 56.630 56.630 57.380 -0.750 RESID 206 (W): CB 29.690 29.690 30.826 -1.136 RESID 206 (W): H 8.560 8.560 7.923 0.637 RESID 207 (T): N 112.000 112.000 110.218 1.782 RESID 207 (T): C 176.100 176.100 173.284 2.816 RESID 207 (T): CA 60.120 60.120 59.226 0.894 RESID 207 (T): CB 68.540 68.540 70.406 -1.866 RESID 207 (T): H 8.029 8.029 8.139 -0.110 RESID 208 (P): C 176.000 176.000 176.850 -0.850 RESID 208 (P): CA 66.120 66.120 65.387 0.733 RESID 208 (P): CB 31.950 31.950 32.167 -0.217 RESID 209 (E): N 112.300 112.300 115.047 -2.747 RESID 209 (E): C 177.100 177.100 176.809 0.291 RESID 209 (E): CA 57.280 57.280 57.216 0.064 RESID 209 (E): CB 29.760 29.760 30.144 -0.384 RESID 209 (E): H 7.612 7.612 7.972 -0.360 RESID 210 (S): N 115.800 115.800 115.085 0.715 RESID 210 (S): C 173.900 173.900 175.531 -1.631 RESID 210 (S): CA 58.060 58.060 59.141 -1.081 RESID 210 (S): CB 67.320 67.320 64.480 2.840 RESID 210 (S): H 7.654 7.654 7.431 0.223 RESID 211 (A): N 125.200 125.200 127.323 -2.123 RESID 211 (A): C 180.600 180.600 179.856 0.744 RESID 211 (A): CA 55.410 55.410 55.309 0.101 RESID 211 (A): CB 18.530 18.530 18.761 -0.231 RESID 211 (A): H 8.874 8.874 9.023 -0.149 RESID 212 (Q): N 119.200 119.200 118.631 0.569 RESID 212 (Q): C 177.100 177.100 178.016 -0.916 RESID 212 (Q): CA 61.410 61.410 58.968 2.442 RESID 212 (Q): CB 27.090 27.090 27.422 -0.332 RESID 212 (Q): H 8.493 8.493 8.476 0.017 RESID 213 (G): N 107.500 107.500 107.648 -0.148 RESID 213 (G): C 175.400 175.400 176.314 -0.914 RESID 213 (G): CA 47.520 47.520 46.830 0.690 RESID 213 (G): H 8.053 8.053 8.296 -0.243 RESID 214 (Q): N 120.700 120.700 121.461 -0.761 RESID 214 (Q): C 179.000 179.000 178.389 0.611 RESID 214 (Q): CA 59.150 59.150 58.860 0.290 RESID 214 (Q): CB 29.110 29.110 28.691 0.419 RESID 214 (Q): H 8.501 8.501 8.075 0.426 RESID 215 (M): N 119.200 119.200 120.620 -1.420 RESID 215 (M): C 177.800 177.800 178.170 -0.370 RESID 215 (M): CA 59.760 59.760 59.641 0.119 RESID 215 (M): CB 32.050 32.050 32.844 -0.794 RESID 215 (M): H 7.878 7.878 8.167 -0.289 RESID 216 (L): N 115.800 115.800 118.822 -3.022 RESID 216 (L): C 179.900 179.900 179.034 0.866 RESID 216 (L): CA 58.160 58.160 57.653 0.507 RESID 216 (L): CB 40.010 40.010 41.459 -1.449 RESID 216 (L): H 7.517 7.517 7.970 -0.453 RESID 217 (E): N 121.000 121.000 119.654 1.346 RESID 217 (E): C 182.200 182.200 179.231 2.969 RESID 217 (E): CA 60.210 60.210 58.926 1.284 RESID 217 (E): CB 29.150 29.150 29.420 -0.270 RESID 217 (E): H 8.377 8.377 8.175 0.202 RESID 218 (Q): N 122.300 122.300 117.061 5.239 RESID 218 (Q): C 178.100 178.100 178.860 -0.760 RESID 218 (Q): CA 59.220 59.220 58.246 0.974 RESID 218 (Q): CB 28.850 28.850 29.127 -0.277 RESID 218 (Q): H 8.464 8.464 7.914 0.550 RESID 219 (L): N 118.400 118.400 117.715 0.685 RESID 219 (L): C 175.200 175.200 177.451 -2.251 RESID 219 (L): CA 55.880 55.880 57.223 -1.343 RESID 219 (L): CB 44.330 44.330 42.876 1.454 RESID 219 (L): H 7.433 7.433 7.760 -0.327 RESID 220 (G): N 104.600 104.600 102.688 1.912 RESID 220 (G): C 174.700 174.700 172.935 1.765 RESID 220 (G): CA 44.750 44.750 44.685 0.065 RESID 220 (G): H 7.777 7.777 8.162 -0.385 RESID 221 (F): N 119.100 119.100 118.959 0.141 RESID 221 (F): C 175.200 175.200 174.355 0.845 RESID 221 (F): CA 57.900 57.900 55.955 1.945 RESID 221 (F): CB 38.930 38.930 42.776 -3.846 RESID 221 (F): H 8.001 8.001 7.774 0.227 RESID 222 (T): N 117.600 117.600 116.003 1.597 RESID 222 (T): C 173.900 173.900 173.377 0.523 RESID 222 (T): CA 61.790 61.790 61.247 0.543 RESID 222 (T): CB 71.360 71.360 69.782 1.578 RESID 222 (T): H 8.961 8.961 8.564 0.397 RESID 223 (L): N 128.300 128.300 127.124 1.176 RESID 223 (L): C 178.300 178.300 176.628 1.672 RESID 223 (L): CA 54.760 54.760 53.411 1.349 RESID 223 (L): CB 41.600 41.600 42.731 -1.131 RESID 223 (L): H 9.269 9.269 8.201 1.068 RESID 224 (A): N 126.800 126.800 128.079 -1.279 RESID 224 (A): C 177.400 177.400 175.854 1.546 RESID 224 (A): CA 52.460 52.460 50.986 1.474 RESID 224 (A): CB 18.650 18.650 20.835 -2.186 RESID 224 (A): H 9.077 9.077 8.098 0.979 RESID 225 (K): N 123.400 123.400 121.193 2.207 RESID 225 (K): C 176.800 176.800 176.189 0.611 RESID 225 (K): CA 55.600 55.600 55.578 0.022 RESID 225 (K): CB 33.080 33.080 32.911 0.169 RESID 225 (K): H 8.601 8.601 8.363 0.238 RESID 226 (L): N 126.200 126.200 128.009 -1.809 RESID 226 (L): C 175.500 175.500 175.611 -0.111 RESID 226 (L): CA 53.420 53.420 53.938 -0.518 RESID 226 (L): CB 41.720 41.720 41.244 0.476 RESID 226 (L): H 8.634 8.634 8.521 0.113 RESID 227 (P): C 176.800 176.800 177.066 -0.266 RESID 227 (P): CA 62.860 62.860 62.888 -0.028 RESID 227 (P): CB 32.360 32.360 32.188 0.172 RESID 228 (A): N 124.900 124.900 124.805 0.095 RESID 228 (A): C 179.500 179.500 178.465 1.035 RESID 228 (A): CA 54.120 54.120 53.399 0.721 RESID 228 (A): CB 18.710 18.710 18.700 0.010 RESID 228 (A): H 8.412 8.412 8.510 -0.098 RESID 229 (G): N 107.700 107.700 107.482 0.218 RESID 229 (G): C 175.000 175.000 175.999 -0.999 RESID 229 (G): CA 46.040 46.040 45.430 0.610 RESID 229 (G): H 8.565 8.565 8.092 0.473 RESID 230 (L): N 121.100 121.100 122.350 -1.250 RESID 230 (L): C 176.900 176.900 178.335 -1.435 RESID 230 (L): CA 55.620 55.620 55.529 0.091 RESID 230 (L): CB 42.630 42.630 41.688 0.942 RESID 230 (L): H 7.454 7.454 7.884 -0.430 RESID 231 (N): N 119.400 119.400 119.846 -0.446 RESID 231 (N): C 175.300 175.300 175.909 -0.609 RESID 231 (N): CA 53.650 53.650 56.145 -2.495 RESID 231 (N): CB 38.940 38.940 37.997 0.943 RESID 231 (N): H 8.211 8.211 8.034 0.177 RESID 232 (A): N 124.500 124.500 119.599 4.901 RESID 232 (A): C 178.100 178.100 178.073 0.027 RESID 232 (A): CA 53.110 53.110 51.689 1.421 RESID 232 (A): CB 19.340 19.340 18.043 1.297 RESID 232 (A): H 8.103 8.103 7.922 0.181 RESID 233 (S): N 115.200 115.200 115.241 -0.041 RESID 233 (S): C 175.100 175.100 175.582 -0.482 RESID 233 (S): CA 59.280 59.280 60.989 -1.709 RESID 233 (S): CB 64.280 64.280 63.330 0.950 RESID 233 (S): H 8.169 8.169 8.446 -0.277 RESID 234 (Q): N 122.100 122.100 120.646 1.454 RESID 234 (Q): C 176.400 176.400 175.688 0.712 RESID 234 (Q): CA 56.240 56.240 56.065 0.175 RESID 234 (Q): CB 29.490 29.490 30.813 -1.323 RESID 234 (Q): H 8.230 8.230 7.784 0.446 RESID 235 (S): N 117.100 117.100 118.081 -0.981 RESID 235 (S): C 174.900 174.900 174.659 0.241 RESID 235 (S): CA 58.910 58.910 58.895 0.015 RESID 235 (S): CB 64.510 64.510 62.897 1.613 RESID 235 (S): H 8.229 8.229 8.441 -0.212 RESID 236 (Q): N 122.300 122.300 127.135 -4.835 RESID 236 (Q): C 176.700 176.700 175.437 1.263 RESID 236 (Q): CA 56.610 56.610 55.491 1.119 RESID 236 (Q): CB 29.280 29.280 27.642 1.639 RESID 236 (Q): H 8.372 8.372 8.865 -0.493 RESID 237 (G): N 110.400 110.400 109.021 1.379 RESID 237 (G): C 174.100 174.100 172.961 1.139 RESID 237 (G): CA 45.720 45.720 45.469 0.251 RESID 237 (G): H 8.381 8.381 7.579 0.802 RESID 238 (K): N 120.500 120.500 121.485 -0.985 RESID 238 (K): C 176.600 176.600 175.492 1.108 RESID 238 (K): CA 56.490 56.490 56.004 0.486 RESID 238 (K): CB 33.320 33.320 32.761 0.559 RESID 238 (K): H 7.968 7.968 8.359 -0.391 RESID 239 (R): N 120.900 120.900 124.987 -4.087 RESID 239 (R): CA 56.130 56.130 55.940 0.190 RESID 239 (R): CB 31.560 31.560 30.908 0.652 RESID 239 (R): H 8.159 8.159 8.500 -0.341 RESID 240 (H): C 174.800 174.800 176.524 -1.724 RESID 240 (H): CA 55.740 55.740 58.602 -2.862 RESID 240 (H): CB 29.760 29.760 30.067 -0.307 RESID 241 (D): N 119.800 119.800 119.228 0.572 RESID 241 (D): C 174.700 174.700 176.273 -1.573 RESID 241 (D): CA 55.500 55.500 55.996 -0.496 RESID 241 (D): CB 40.550 40.550 41.224 -0.674 RESID 241 (D): H 9.052 9.052 8.394 0.658 RESID 242 (I): N 115.200 115.200 114.988 0.212 RESID 242 (I): C 175.600 175.600 174.390 1.210 RESID 242 (I): CA 59.090 59.090 59.401 -0.311 RESID 242 (I): CB 43.670 43.670 40.918 2.752 RESID 242 (I): H 7.087 7.087 7.411 -0.324 RESID 243 (I): N 125.100 125.100 126.071 -0.971 RESID 243 (I): C 175.300 175.300 174.268 1.032 RESID 243 (I): CA 60.340 60.340 60.639 -0.299 RESID 243 (I): CB 41.290 41.290 38.373 2.917 RESID 243 (I): H 8.746 8.746 8.540 0.206 RESID 244 (Q): N 128.400 128.400 127.523 0.877 RESID 244 (Q): C 175.300 175.300 174.251 1.049 RESID 244 (Q): CA 56.460 56.460 54.927 1.533 RESID 244 (Q): CB 29.800 29.800 29.801 -0.001 RESID 244 (Q): H 8.768 8.768 8.596 0.172 RESID 245 (L): N 125.500 125.500 123.511 1.989 RESID 245 (L): C 176.200 176.200 176.606 -0.406 RESID 245 (L): CA 53.790 53.790 53.118 0.672 RESID 245 (L): CB 45.100 45.100 44.863 0.237 RESID 245 (L): H 8.640 8.640 8.352 0.288 RESID 246 (G): N 109.700 109.700 105.057 4.643 RESID 246 (G): C 174.200 174.200 174.330 -0.130 RESID 246 (G): CA 44.590 44.590 45.037 -0.447 RESID 246 (G): H 8.424 8.424 8.444 -0.020 RESID 247 (G): N 108.500 108.500 108.660 -0.160 RESID 247 (G): C 176.800 176.800 174.983 1.817 RESID 247 (G): CA 47.500 47.500 44.356 3.144 RESID 247 (G): H 8.666 8.666 7.735 0.931 RESID 248 (E): N 123.700 123.700 121.161 2.539 RESID 248 (E): C 177.300 177.300 176.529 0.771 RESID 248 (E): CA 58.560 58.560 57.495 1.065 RESID 248 (E): CB 29.330 29.330 29.259 0.071 RESID 248 (E): H 9.265 9.265 8.808 0.457 RESID 249 (N): N 116.700 116.700 116.390 0.310 RESID 249 (N): C 175.500 175.500 175.986 -0.486 RESID 249 (N): CA 53.490 53.490 53.688 -0.198 RESID 249 (N): CB 39.390 39.390 38.699 0.691 RESID 249 (N): H 7.963 7.963 7.581 0.382 RESID 250 (L): N 121.100 121.100 119.902 1.198 RESID 250 (L): C 177.100 177.100 178.095 -0.995 RESID 250 (L): CA 58.810 58.810 56.991 1.819 RESID 250 (L): CB 42.220 42.220 41.474 0.746 RESID 250 (L): H 7.104 7.104 7.786 -0.682 RESID 251 (A): N 117.400 117.400 122.433 -5.033 RESID 251 (A): C 179.500 179.500 178.167 1.333 RESID 251 (A): CA 55.340 55.340 54.657 0.683 RESID 251 (A): CB 17.960 17.960 18.389 -0.429 RESID 251 (A): H 8.141 8.141 8.312 -0.171 RESID 252 (A): N 117.400 117.400 118.596 -1.196 RESID 252 (A): C 179.100 179.100 178.321 0.779 RESID 252 (A): CA 53.990 53.990 52.384 1.606 RESID 252 (A): CB 18.970 18.970 18.967 0.003 RESID 252 (A): H 7.375 7.375 8.410 -1.035 RESID 253 (G): N 100.600 100.600 107.912 -7.312 RESID 253 (G): C 172.700 172.700 174.801 -2.101 RESID 253 (G): CA 45.380 45.380 45.022 0.358 RESID 253 (G): H 7.589 7.589 7.562 0.027 RESID 254 (L): N 124.800 124.800 122.842 1.958 RESID 254 (L): C 175.300 175.300 177.585 -2.285 RESID 254 (L): CA 53.020 53.020 54.864 -1.844 RESID 254 (L): CB 39.090 39.090 42.109 -3.019 RESID 254 (L): H 7.202 7.202 7.783 -0.581 RESID 255 (N): N 113.800 113.800 121.493 -7.693 RESID 255 (N): C 176.600 176.600 176.256 0.344 RESID 255 (N): CA 53.420 53.420 53.979 -0.559 RESID 255 (N): CB 37.600 37.600 38.819 -1.219 RESID 255 (N): H 7.701 7.701 8.840 -1.139 RESID 256 (G): N 109.100 109.100 106.629 2.471 RESID 256 (G): C 172.200 172.200 174.569 -2.369 RESID 256 (G): CA 45.790 45.790 45.342 0.448 RESID 256 (G): H 7.856 7.856 8.554 -0.698 RESID 257 (E): N 120.100 120.100 118.765 1.335 RESID 257 (E): C 176.900 176.900 175.575 1.325 RESID 257 (E): CA 57.880 57.880 56.589 1.291 RESID 257 (E): CB 29.760 29.760 30.587 -0.827 RESID 257 (E): H 8.443 8.443 8.639 -0.196 RESID 258 (S): N 107.500 107.500 113.681 -6.181 RESID 258 (S): C 172.500 172.500 172.439 0.061 RESID 258 (S): CA 58.010 58.010 58.542 -0.532 RESID 258 (S): CB 66.360 66.360 63.779 2.581 RESID 258 (S): H 7.176 7.176 8.011 -0.835 RESID 259 (L): N 124.900 124.900 127.571 -2.671 RESID 259 (L): C 173.900 173.900 176.485 -2.585 RESID 259 (L): CA 53.630 53.630 54.376 -0.746 RESID 259 (L): CB 46.240 46.240 42.373 3.867 RESID 259 (L): H 8.969 8.969 8.038 0.931 RESID 260 (F): N 123.700 123.700 123.075 0.625 RESID 260 (F): C 174.200 174.200 176.028 -1.828 RESID 260 (F): CA 56.460 56.460 54.978 1.482 RESID 260 (F): CB 41.560 41.560 40.438 1.122 RESID 260 (F): H 9.295 9.295 8.146 1.149 RESID 261 (L): N 123.900 123.900 120.181 3.719 RESID 261 (L): C 177.600 177.600 177.100 0.500 RESID 261 (L): CA 54.010 54.010 53.185 0.825 RESID 261 (L): CB 41.470 41.470 45.515 -4.045 RESID 261 (L): H 9.034 9.034 8.174 0.860 RESID 262 (F): N 123.800 123.800 122.275 1.525 RESID 262 (F): C 175.500 175.500 175.822 -0.322 RESID 262 (F): CA 58.850 58.850 56.995 1.855 RESID 262 (F): CB 39.930 39.930 38.501 1.429 RESID 262 (F): H 9.338 9.338 9.118 0.220 RESID 263 (A): N 121.900 121.900 124.126 -2.226 RESID 263 (A): C 175.300 175.300 177.027 -1.727 RESID 263 (A): CA 53.630 53.630 52.651 0.980 RESID 263 (A): CB 19.700 19.700 16.813 2.887 RESID 263 (A): H 8.902 8.902 8.304 0.598 RESID 264 (G): N 104.500 104.500 111.591 -7.091 RESID 264 (G): C 171.100 171.100 172.730 -1.630 RESID 264 (G): CA 45.540 45.540 45.061 0.479 RESID 264 (G): H 6.746 6.746 7.884 -1.138 RESID 265 (D): N 122.300 122.300 122.667 -0.367 RESID 265 (D): C 177.300 177.300 177.267 0.033 RESID 265 (D): CA 51.660 51.660 52.774 -1.114 RESID 265 (D): CB 42.840 42.840 42.257 0.583 RESID 265 (D): H 9.052 9.052 8.111 0.941 RESID 266 (Q): N 118.400 118.400 119.593 -1.193 RESID 266 (Q): C 177.600 177.600 177.460 0.140 RESID 266 (Q): CA 58.620 58.620 59.060 -0.440 RESID 266 (Q): CB 28.490 28.490 28.647 -0.157 RESID 266 (Q): H 8.277 8.277 8.605 -0.328 RESID 267 (K): N 117.700 117.700 118.787 -1.087 RESID 267 (K): C 180.400 180.400 178.086 2.314 RESID 267 (K): CA 59.390 59.390 59.551 -0.161 RESID 267 (K): CB 31.440 31.440 31.787 -0.347 RESID 267 (K): H 7.879 7.879 7.923 -0.044 RESID 268 (D): N 121.600 121.600 119.655 1.945 RESID 268 (D): C 177.400 177.400 178.341 -0.941 RESID 268 (D): CA 57.980 57.980 56.975 1.005 RESID 268 (D): CB 41.550 41.550 40.250 1.300 RESID 268 (D): H 7.640 7.640 8.109 -0.469 RESID 269 (A): N 121.700 121.700 121.477 0.223 RESID 269 (A): C 179.000 179.000 178.422 0.578 RESID 269 (A): CA 55.640 55.640 54.926 0.714 RESID 269 (A): CB 17.490 17.490 18.192 -0.702 RESID 269 (A): H 7.370 7.370 7.620 -0.250 RESID 270 (D): N 118.200 118.200 117.922 0.278 RESID 270 (D): C 179.300 179.300 176.514 2.786 RESID 270 (D): CA 57.570 57.570 56.312 1.258 RESID 270 (D): CB 39.860 39.860 40.250 -0.390 RESID 270 (D): H 8.735 8.735 7.953 0.782 RESID 271 (A): N 122.900 122.900 119.886 3.014 RESID 271 (A): C 180.800 180.800 179.325 1.475 RESID 271 (A): CA 55.040 55.040 53.566 1.474 RESID 271 (A): CB 18.300 18.300 19.324 -1.024 RESID 271 (A): H 7.579 7.579 7.042 0.537 RESID 272 (I): N 0.000 0.000 120.453 -120.453 RESID 272 (I): C 178.300 178.300 176.950 1.350 RESID 272 (I): CA 63.880 63.880 64.654 -0.774 RESID 272 (I): CB 35.710 35.710 38.126 -2.416 RESID 272 (I): H 7.340 7.340 8.400 -1.060 RESID 273 (Y): N 116.300 116.300 116.988 -0.688 RESID 273 (Y): C 177.000 177.000 176.780 0.220 RESID 273 (Y): CA 61.100 61.100 58.309 2.791 RESID 273 (Y): CB 37.770 37.770 35.838 1.932 RESID 273 (Y): H 7.509 7.509 7.290 0.219 RESID 274 (A): N 118.600 118.600 121.835 -3.235 RESID 274 (A): C 177.200 177.200 177.189 0.011 RESID 274 (A): CA 52.030 52.030 53.002 -0.972 RESID 274 (A): CB 19.580 19.580 19.418 0.162 RESID 274 (A): H 7.495 7.495 7.833 -0.338 RESID 275 (N): N 119.900 119.900 118.247 1.653 RESID 275 (N): C 175.700 175.700 174.012 1.688 RESID 275 (N): CA 51.030 51.030 51.343 -0.313 RESID 275 (N): CB 38.590 38.590 37.038 1.552 RESID 275 (N): H 7.200 7.200 7.954 -0.754 RESID 276 (P): C 178.900 178.900 178.500 0.400 RESID 276 (P): CA 65.190 65.190 65.469 -0.278 RESID 276 (P): CB 32.440 32.440 32.040 0.400 RESID 277 (L): N 116.700 116.700 117.413 -0.713 RESID 277 (L): C 178.000 178.000 178.915 -0.915 RESID 277 (L): CA 56.630 56.630 57.552 -0.922 RESID 277 (L): CB 41.720 41.720 41.505 0.215 RESID 277 (L): H 7.777 7.777 7.929 -0.152 RESID 278 (L): N 115.100 115.100 116.585 -1.485 RESID 278 (L): C 176.600 176.600 177.876 -1.276 RESID 278 (L): CA 53.200 53.200 54.944 -1.744 RESID 278 (L): CB 40.960 40.960 41.303 -0.343 RESID 278 (L): H 7.485 7.485 7.680 -0.195 RESID 279 (A): N 118.600 118.600 123.099 -4.499 RESID 279 (A): C 177.700 177.700 177.806 -0.106 RESID 279 (A): CA 55.090 55.090 54.372 0.718 RESID 279 (A): CB 19.710 19.710 18.602 1.108 RESID 279 (A): H 6.665 6.665 7.912 -1.247 RESID 280 (H): N 111.600 111.600 115.287 -3.687 RESID 280 (H): C 175.500 175.500 175.206 0.294 RESID 280 (H): CA 55.360 55.360 56.256 -0.896 RESID 280 (H): CB 29.540 29.540 28.641 0.899 RESID 280 (H): H 8.337 8.337 8.193 0.144 RESID 281 (L): N 124.100 124.100 122.510 1.590 RESID 281 (L): C 176.300 176.300 175.869 0.431 RESID 281 (L): CA 53.330 53.330 52.961 0.369 RESID 281 (L): CB 40.490 40.490 41.949 -1.459 RESID 281 (L): H 7.289 7.289 7.445 -0.156 RESID 282 (P): C 178.200 178.200 178.379 -0.179 RESID 282 (P): CA 66.050 66.050 65.682 0.368 RESID 282 (P): CB 32.150 32.150 31.724 0.426 RESID 283 (A): N 116.000 116.000 119.218 -3.218 RESID 283 (A): C 179.000 179.000 179.840 -0.840 RESID 283 (A): CA 55.630 55.630 55.194 0.437 RESID 283 (A): CB 19.490 19.490 18.185 1.305 RESID 283 (A): H 7.969 7.969 8.425 -0.456 RESID 284 (V): N 115.200 115.200 118.496 -3.296 RESID 284 (V): C 180.000 180.000 178.927 1.073 RESID 284 (V): CA 65.640 65.640 65.886 -0.246 RESID 284 (V): CB 32.560 32.560 30.814 1.746 RESID 284 (V): H 6.557 6.557 7.680 -1.123 RESID 285 (Q): N 121.200 121.200 120.440 0.760 RESID 285 (Q): C 178.000 178.000 177.656 0.344 RESID 285 (Q): CA 59.500 59.500 58.798 0.702 RESID 285 (Q): CB 29.080 29.080 28.607 0.473 RESID 285 (Q): H 8.581 8.581 7.812 0.769 RESID 286 (N): N 112.600 112.600 113.982 -1.382 RESID 286 (N): C 174.500 174.500 173.856 0.644 RESID 286 (N): CA 53.160 53.160 52.726 0.434 RESID 286 (N): CB 38.390 38.390 38.741 -0.351 RESID 286 (N): H 8.117 8.117 8.039 0.078 RESID 287 (K): N 118.500 118.500 115.913 2.587 RESID 287 (K): C 176.100 176.100 176.223 -0.123 RESID 287 (K): CA 57.540 57.540 57.308 0.232 RESID 287 (K): CB 28.570 28.570 29.534 -0.964 RESID 287 (K): H 7.724 7.724 7.693 0.031 RESID 288 (Q): N 119.700 119.700 117.143 2.557 RESID 288 (Q): C 173.700 173.700 174.074 -0.374 RESID 288 (Q): CA 52.970 52.970 54.840 -1.870 RESID 288 (Q): CB 28.640 28.640 28.997 -0.357 RESID 288 (Q): H 8.895 8.895 8.423 0.472 RESID 289 (V): N 119.200 119.200 118.589 0.611 RESID 289 (V): C 175.100 175.100 175.153 -0.053 RESID 289 (V): CA 61.600 61.600 61.117 0.483 RESID 289 (V): CB 32.610 32.610 33.992 -1.382 RESID 289 (V): H 6.246 6.246 6.913 -0.667 RESID 290 (Y): N 125.700 125.700 124.573 1.127 RESID 290 (Y): C 174.100 174.100 174.401 -0.301 RESID 290 (Y): CA 56.830 56.830 56.485 0.345 RESID 290 (Y): CB 40.950 40.950 42.728 -1.778 RESID 290 (Y): H 8.682 8.682 8.977 -0.295 RESID 291 (A): N 126.900 126.900 122.018 4.882 RESID 291 (A): C 178.300 178.300 176.742 1.558 RESID 291 (A): CA 51.560 51.560 50.394 1.167 RESID 291 (A): CB 19.670 19.670 21.250 -1.580 RESID 291 (A): H 9.057 9.057 8.652 0.405 RESID 292 (L): N 120.800 120.800 119.829 0.971 RESID 292 (L): C 175.500 175.500 176.229 -0.729 RESID 292 (L): CA 54.880 54.880 54.252 0.628 RESID 292 (L): CB 42.490 42.490 42.272 0.218 RESID 292 (L): H 8.342 8.342 8.932 -0.590 RESID 293 (G): N 107.500 107.500 103.836 3.664 RESID 293 (G): C 177.600 177.600 174.057 3.543 RESID 293 (G): CA 45.110 45.110 44.428 0.682 RESID 293 (G): H 7.973 7.973 7.382 0.591 RESID 294 (T): N 117.800 117.800 116.741 1.059 RESID 294 (T): C 176.400 176.400 176.015 0.385 RESID 294 (T): CA 65.260 65.260 65.279 -0.019 RESID 294 (T): CB 68.310 68.310 69.173 -0.863 RESID 294 (T): H 8.808 8.808 8.571 0.237 RESID 295 (E): N 122.100 122.100 119.901 2.199 RESID 295 (E): C 177.700 177.700 176.591 1.109 RESID 295 (E): CA 58.540 58.540 58.314 0.226 RESID 295 (E): CB 29.010 29.010 28.776 0.234 RESID 295 (E): H 10.380 10.380 8.842 1.538 RESID 296 (T): N 103.000 103.000 108.623 -5.623 RESID 296 (T): C 173.600 173.600 174.302 -0.702 RESID 296 (T): CA 62.320 62.320 61.217 1.103 RESID 296 (T): CB 69.170 69.170 67.753 1.417 RESID 296 (T): H 7.062 7.062 7.911 -0.849 RESID 297 (F): N 121.500 121.500 123.065 -1.565 RESID 297 (F): C 174.500 174.500 175.855 -1.355 RESID 297 (F): CA 61.700 61.700 61.054 0.646 RESID 297 (F): CB 39.640 39.640 39.778 -0.138 RESID 297 (F): H 8.108 8.108 7.806 0.302 RESID 298 (R): N 116.800 116.800 119.776 -2.976 RESID 298 (R): C 176.000 176.000 175.094 0.906 RESID 298 (R): CA 54.160 54.160 55.753 -1.593 RESID 298 (R): CB 32.460 32.460 31.097 1.363 RESID 298 (R): H 7.552 7.552 8.251 -0.699 RESID 299 (L): N 125.500 125.500 126.475 -0.975 RESID 299 (L): C 174.800 174.800 174.401 0.399 RESID 299 (L): CA 54.300 54.300 53.939 0.361 RESID 299 (L): CB 41.670 41.670 44.124 -2.454 RESID 299 (L): H 8.903 8.903 8.403 0.500 RESID 300 (D): N 124.600 124.600 123.550 1.050 RESID 300 (D): C 173.400 173.400 175.630 -2.230 RESID 300 (D): CA 51.880 51.880 53.284 -1.404 RESID 300 (D): CB 43.230 43.230 42.591 0.639 RESID 300 (D): H 7.735 7.735 8.713 -0.978 RESID 301 (Y): N 118.100 118.100 121.476 -3.376 RESID 301 (Y): C 175.300 175.300 176.194 -0.894 RESID 301 (Y): CA 61.650 61.650 63.322 -1.672 RESID 301 (Y): CB 38.740 38.740 38.706 0.034 RESID 301 (Y): H 7.943 7.943 9.002 -1.059 RESID 302 (Y): N 112.300 112.300 115.900 -3.600 RESID 302 (Y): C 180.800 180.800 177.727 3.073 RESID 302 (Y): CA 61.970 61.970 60.913 1.058 RESID 302 (Y): CB 37.990 37.990 38.081 -0.091 RESID 302 (Y): H 7.309 7.309 8.087 -0.778 RESID 303 (S): N 119.100 119.100 115.442 3.658 RESID 303 (S): C 176.300 176.300 176.564 -0.264 RESID 303 (S): CA 60.690 60.690 61.280 -0.590 RESID 303 (S): CB 63.180 63.180 62.986 0.194 RESID 303 (S): H 9.411 9.411 9.479 -0.068 RESID 304 (A): N 126.900 126.900 125.645 1.255 RESID 304 (A): C 180.400 180.400 179.439 0.961 RESID 304 (A): CA 56.000 56.000 54.937 1.063 RESID 304 (A): CB 18.040 18.040 17.950 0.090 RESID 304 (A): H 8.860 8.860 7.891 0.969 RESID 305 (M): N 116.600 116.600 117.965 -1.365 RESID 305 (M): C 179.300 179.300 178.881 0.419 RESID 305 (M): CA 57.880 57.880 59.765 -1.885 RESID 305 (M): CB 31.350 31.350 32.383 -1.033 RESID 305 (M): H 7.346 7.346 7.500 -0.154 RESID 306 (Q): N 119.300 119.300 118.811 0.489 RESID 306 (Q): C 179.000 179.000 178.838 0.162 RESID 306 (Q): CA 59.410 59.410 58.879 0.531 RESID 306 (Q): CB 28.450 28.450 28.823 -0.373 RESID 306 (Q): H 7.633 7.633 7.758 -0.125 RESID 308 (L): C 178.700 178.700 178.492 0.208 RESID 308 (L): CA 58.690 58.690 58.428 0.262 RESID 308 (L): CB 41.790 41.790 41.382 0.408 RESID 309 (D): N 119.100 119.100 119.046 0.054 RESID 309 (D): C 179.600 179.600 178.887 0.713 RESID 309 (D): CA 57.830 57.830 57.543 0.287 RESID 309 (D): CB 40.820 40.820 40.335 0.485 RESID 309 (D): H 7.984 7.984 8.020 -0.036 RESID 310 (R): N 121.700 121.700 120.609 1.091 RESID 310 (R): C 178.900 178.900 178.730 0.170 RESID 310 (R): CA 58.590 58.590 59.187 -0.597 RESID 310 (R): CB 29.820 29.820 30.151 -0.331 RESID 310 (R): H 8.463 8.463 7.595 0.868 RESID 311 (L): N 119.200 119.200 119.907 -0.707 RESID 311 (L): C 178.800 178.800 178.722 0.078 RESID 311 (L): CA 58.380 58.380 58.109 0.271 RESID 311 (L): CB 42.340 42.340 41.843 0.497 RESID 311 (L): H 8.489 8.489 8.332 0.157 RESID 312 (K): N 116.500 116.500 118.724 -2.224 RESID 312 (K): C 178.000 178.000 178.394 -0.394 RESID 312 (K): CA 59.250 59.250 59.172 0.078 RESID 312 (K): CB 32.440 32.440 32.492 -0.052 RESID 312 (K): H 7.955 7.955 8.177 -0.222 RESID 313 (A): N 119.500 119.500 120.769 -1.269 RESID 313 (A): C 180.000 180.000 178.649 1.351 RESID 313 (A): CA 53.920 53.920 53.271 0.649 RESID 313 (A): CB 18.800 18.800 19.255 -0.455 RESID 313 (A): H 7.427 7.427 7.731 -0.304 RESID 314 (L): N 119.500 119.500 119.179 0.321 RESID 314 (L): C 177.400 177.400 176.452 0.948 RESID 314 (L): CA 56.770 56.770 57.237 -0.467 RESID 314 (L): CB 43.730 43.730 42.354 1.376 RESID 314 (L): H 7.431 7.431 8.127 -0.696 N HA C CA CB H RESID 26 (W): -3.468 ----- -0.870 0.352 3.240 0.240 RESID 27 (P): ----- ----- -0.004 -0.290 4.943 ----- RESID 28 (R): -3.831 ----- -1.399 0.735 0.760 0.067 RESID 29 (Q): -0.875 ----- 0.589 -1.253 1.447 -0.079 RESID 30 (I): -1.813 ----- 0.574 -0.926 -0.484 1.087 RESID 31 (T): 3.228 ----- 0.737 -1.334 1.055 0.589 RESID 32 (D): 5.714 ----- 1.436 0.794 -0.489 1.413 RESID 33 (S): -4.424 ----- -0.568 0.426 -0.385 -0.217 RESID 34 (R): -2.387 ----- -0.628 -3.657 0.172 0.479 RESID 35 (G): 5.160 ----- -2.252 -0.499 ----- -0.756 RESID 36 (T): 0.144 ----- 0.783 0.023 -0.078 0.584 RESID 37 (H): 0.480 ----- 0.723 -1.265 -2.014 0.361 RESID 38 (T): 4.459 ----- 1.398 2.125 -1.250 1.615 RESID 39 (L): 7.245 ----- 0.100 0.522 -0.939 0.461 RESID 40 (E): -1.547 ----- -0.322 0.285 0.487 0.137 RESID 41 (S): -1.871 ----- -1.491 -0.888 0.615 -0.157 RESID 42 (Q): 3.313 ----- -0.148 -2.029 0.555 -1.263 RESID 43 (P): ----- ----- -0.368 0.786 0.096 ----- RESID 44 (Q): 2.622 ----- -0.623 -1.504 2.848 2.630 RESID 45 (R): 8.247 ----- 0.506 0.096 -0.060 2.462 RESID 47 (V): ----- ----- 0.222 -0.248 -0.137 ----- RESID 48 (S): -2.190 ----- 1.979 -1.990 -1.696 -0.637 RESID 49 (T): 5.145 ----- -2.832 0.793 -0.207 -0.102 RESID 50 (S): -0.760 ----- -0.610 -2.450 -0.156 -0.071 RESID 51 (V): 5.106 ----- -2.786 -0.201 -0.074 0.138 RESID 52 (T): 0.226 ----- 3.197 1.041 0.529 -0.135 RESID 53 (L): 1.093 ----- 0.310 -0.754 0.821 -0.558 RESID 54 (T): 1.775 ----- -1.736 -0.662 ----- -0.081 RESID 55 (G): -3.683 ----- -0.178 0.309 ----- -1.271 RESID 56 (S): -0.786 ----- -1.165 1.965 1.972 -1.239 RESID 58 (L): ----- ----- 1.772 -0.284 -0.122 ----- RESID 59 (A): -0.751 ----- -0.262 0.741 -0.321 -0.314 RESID 60 (I): ----- ----- -1.542 0.179 0.394 ----- RESID 61 (D): -2.481 ----- 0.229 0.056 -0.041 -0.001 RESID 62 (A): -3.171 ----- 2.680 -0.859 -1.618 0.101 RESID 63 (P): ----- ----- -2.120 0.617 -4.698 ----- RESID 64 (V): 3.895 ----- -0.914 -1.449 -0.773 0.432 RESID 65 (I): -4.368 ----- 1.539 -3.024 1.270 0.246 RESID 66 (A): 4.233 ----- -0.133 0.683 1.451 -0.423 RESID 67 (S): -5.104 ----- 2.289 -2.074 -2.422 0.231 RESID 68 (G): 5.652 ----- -1.611 2.068 ----- -1.053 RESID 69 (A): -3.686 ----- 2.670 -1.173 2.061 -0.818 RESID 70 (T): 5.438 ----- -2.729 -3.142 1.125 1.015 RESID 71 (T): -5.368 ----- -0.418 0.048 1.558 -0.804 RESID 72 (P): ----- ----- 0.964 -0.190 0.719 ----- RESID 73 (N): -4.603 ----- -1.628 0.746 -1.464 -0.708 RESID 74 (N): ----- ----- -1.173 5.007 0.353 ----- RESID 75 (R): -6.345 ----- -0.159 1.071 1.050 -0.290 RESID 76 (V): -10.236 ----- 0.060 -2.927 2.041 -0.825 RESID 77 (A): 5.890 ----- -1.070 -1.034 5.117 0.719 RESID 78 (D): 1.788 ----- 2.211 -0.937 0.363 0.431 RESID 79 (D): 0.863 ----- 0.284 1.060 0.867 -0.165 RESID 80 (Q): -4.353 ----- -1.177 -1.514 2.385 -0.179 RESID 81 (G): -0.012 ----- 0.861 0.956 ----- -0.646 RESID 82 (F): 0.612 ----- -0.432 -4.251 -2.635 0.304 RESID 83 (L): ----- ----- 0.977 0.343 -3.489 ----- RESID 84 (R): 0.352 ----- 0.776 3.505 1.647 -0.685 RESID 85 (Q): -2.604 ----- -2.664 0.206 -3.178 1.867 RESID 86 (W): -6.518 ----- -1.790 -5.093 -2.067 -1.957 RESID 87 (S): 3.761 ----- 1.474 0.521 ----- -1.276 RESID 88 (K): -3.940 ----- 0.182 0.470 -0.091 0.986 RESID 89 (V): 6.352 ----- 0.807 0.081 0.500 -0.722 RESID 90 (A): -0.400 ----- 1.096 1.382 1.431 0.686 RESID 91 (K): -0.414 ----- 3.035 1.008 -0.003 -0.246 RESID 92 (E): 5.062 ----- 1.505 2.294 -0.662 0.484 RESID 93 (R): -3.141 ----- 0.318 0.792 -1.529 -0.271 RESID 94 (K): 1.763 ----- 0.662 -0.668 -1.440 -0.713 RESID 95 (L): -1.072 ----- 0.280 0.724 1.021 0.056 RESID 96 (Q): 0.389 ----- -0.970 0.641 0.327 -0.883 RESID 97 (R): 6.421 ----- 0.586 -0.998 1.621 0.499 RESID 98 (L): 3.441 ----- -0.416 2.411 3.347 -0.442 RESID 99 (Y): -2.022 ----- -1.392 -0.822 -0.998 -1.353 RESID 100 (I): -6.176 ----- -0.347 -1.820 3.576 0.104 RESID 101 (G): 0.889 ----- -0.691 2.207 ----- -0.248 RESID 102 (E): 10.925 ----- -0.768 0.483 2.040 0.292 RESID 103 (P): ----- ----- -0.929 -1.505 -0.110 ----- RESID 104 (S): -4.803 ----- 0.121 -2.624 0.000 -2.529 RESID 105 (A): 0.223 ----- 0.331 0.778 -0.843 0.304 RESID 106 (E): 0.377 ----- 0.444 1.244 -0.474 0.141 RESID 107 (A): -0.797 ----- 0.320 -0.435 0.844 -0.152 RESID 108 (V): -1.663 ----- -0.935 1.152 0.335 -0.526 RESID 109 (A): -1.964 ----- 1.801 0.530 -0.202 0.069 RESID 110 (A): -0.746 ----- 0.259 -0.247 -0.026 -0.325 RESID 111 (Q): -1.082 ----- -1.059 0.903 -0.164 -0.287 RESID 112 (M): -6.121 ----- 0.065 0.366 -1.435 -0.067 RESID 113 (P): ----- ----- 0.457 0.197 0.407 ----- RESID 114 (D): -2.237 ----- -0.077 -2.070 -1.869 0.618 RESID 115 (L): ----- ----- 0.618 -1.404 ----- ----- RESID 116 (I): -2.846 ----- ----- -0.109 ----- 1.334 RESID 118 (I): ----- ----- -0.972 0.430 1.008 ----- RESID 119 (S): 0.401 ----- 0.578 -0.583 0.675 1.039 RESID 120 (A): 1.600 ----- -0.480 -0.048 1.533 -0.516 RESID 121 (T): -4.108 ----- -0.100 -2.460 1.592 -0.210 RESID 122 (G): -6.445 ----- 3.072 -0.771 ----- 0.162 RESID 123 (G): ----- ----- -0.212 1.042 ----- ----- RESID 124 (D): -2.411 ----- 0.978 -0.580 0.044 0.825 RESID 125 (S): -4.093 ----- 1.652 0.076 0.138 -1.106 RESID 126 (A): 4.750 ----- -1.955 -2.347 -2.234 0.257 RESID 127 (L): -0.019 ----- 0.542 1.472 1.234 -0.797 RESID 128 (A): 3.398 ----- 0.729 0.813 -0.493 1.290 RESID 129 (L): 0.544 ----- -0.898 -1.261 -0.368 0.356 RESID 130 (Y): -0.901 ----- 0.298 1.526 1.054 -1.098 RESID 131 (D): 1.172 ----- -0.092 0.628 0.299 0.917 RESID 132 (Q): -0.989 ----- 0.276 0.191 0.579 -0.139 RESID 133 (L): -0.297 ----- -0.715 0.336 -0.811 -0.469 RESID 134 (S): -3.208 ----- -0.495 0.325 0.782 -0.331 RESID 135 (T): -5.232 ----- -1.164 -2.038 0.657 -0.641 RESID 136 (I): 3.968 ----- 0.244 -0.053 0.345 0.416 RESID 137 (A): 1.947 ----- -1.612 -0.156 -0.124 -0.479 RESID 138 (P): ----- ----- -1.460 1.240 -0.259 ----- RESID 139 (T): 2.074 ----- -0.033 -1.327 1.988 -0.001 RESID 140 (L): ----- ----- 0.597 -0.789 0.719 ----- RESID 141 (I): -2.430 ----- 1.117 -1.015 1.135 1.432 RESID 142 (I): 1.908 ----- 0.200 -1.931 -2.302 0.182 RESID 143 (N): 4.998 ----- 0.443 -1.898 0.101 0.716 RESID 144 (Y): -5.990 ----- 1.735 -3.659 -0.182 0.233 RESID 145 (D): 0.746 ----- 1.764 -0.210 3.342 0.440 RESID 146 (D): 4.082 ----- -0.057 -0.385 -1.697 -1.053 RESID 147 (K): -5.764 ----- -0.277 -1.550 -1.738 -0.553 RESID 148 (S): -0.490 ----- -0.381 -0.081 0.708 0.225 RESID 149 (W): 1.772 ----- 2.069 1.331 -0.728 -0.126 RESID 150 (Q): 3.172 ----- 0.293 3.379 -1.206 1.614 RESID 151 (S): 1.127 ----- 0.593 0.519 0.599 0.052 RESID 152 (L): 2.453 ----- 0.561 0.387 0.290 0.066 RESID 153 (L): 0.565 ----- 1.038 1.422 -0.100 0.932 RESID 154 (T): 3.497 ----- 0.304 1.307 0.529 0.150 RESID 155 (Q): 3.481 ----- 1.167 1.368 0.251 0.296 RESID 156 (L): ----- ----- 1.631 0.619 -0.126 ----- RESID 157 (G): 5.809 ----- -0.553 1.796 ----- 1.199 RESID 158 (E): 4.797 ----- 0.619 1.215 0.306 0.022 RESID 160 (T): ----- ----- 2.301 -1.164 2.625 ----- RESID 161 (G): -0.317 ----- 0.419 1.250 ----- -0.883 RESID 162 (H): 4.789 ----- -2.204 -0.541 -2.948 0.674 RESID 163 (E): 1.783 ----- 2.327 1.409 -0.420 1.533 RESID 164 (K): 0.236 ----- -0.093 -0.462 0.308 0.398 RESID 165 (Q): 2.182 ----- 0.665 2.031 -0.267 -0.482 RESID 166 (A): -1.348 ----- -1.427 1.318 0.223 -0.205 RESID 167 (A): -3.029 ----- 1.889 -0.158 -0.310 -1.023 RESID 168 (E): 1.524 ----- 0.469 -0.005 0.451 0.327 RESID 170 (I): ----- ----- 0.005 1.580 1.357 ----- RESID 171 (A): -2.482 ----- 1.363 -0.350 0.150 -0.777 RESID 172 (Q): 2.568 ----- 0.619 0.702 -0.256 0.643 RESID 173 (F): -0.100 ----- -1.010 1.603 0.368 -0.295 RESID 174 (D): 0.884 ----- 1.415 0.542 -0.091 -0.268 RESID 175 (K): 1.085 ----- 1.165 -0.008 0.313 -0.073 RESID 176 (Q): 2.092 ----- 0.769 -0.479 -0.533 0.345 RESID 177 (L): 6.003 ----- -0.269 2.649 -0.162 1.208 RESID 178 (A): -1.054 ----- 1.370 0.196 0.089 -0.540 RESID 179 (A): -0.789 ----- 0.706 0.336 -0.406 0.045 RESID 180 (A): -0.041 ----- 0.097 0.744 -0.263 0.165 RESID 181 (K): 0.121 ----- -0.089 0.616 0.698 0.016 RESID 182 (E): -2.168 ----- -0.138 0.743 1.071 -0.599 RESID 183 (Q): -0.684 ----- 1.026 0.238 0.414 -0.179 RESID 184 (I): 1.938 ----- 0.956 3.252 0.333 0.290 RESID 185 (K): 4.968 ----- 0.270 -0.501 -2.759 0.805 RESID 186 (L): -0.681 ----- -0.140 2.078 0.265 -0.513 RESID 188 (P): ----- ----- -1.454 1.471 0.987 ----- RESID 189 (Q): 0.213 ----- 1.883 -2.399 0.973 -0.167 RESID 190 (P): ----- ----- -0.036 0.348 2.635 ----- RESID 191 (V): -9.043 ----- 0.336 0.227 0.326 0.661 RESID 192 (T): 7.387 ----- 0.214 3.497 0.300 0.143 RESID 193 (A): 9.913 ----- -0.004 -0.560 -0.295 1.609 RESID 194 (I): -2.088 ----- 2.900 -0.473 1.812 0.750 RESID 195 (V): -4.298 ----- 2.128 1.793 0.153 -0.158 RESID 196 (Y): 2.709 ----- 0.550 -0.416 1.054 1.003 RESID 197 (T): 1.486 ----- 0.931 0.113 -3.039 0.430 RESID 198 (A): -0.236 ----- 1.142 1.153 0.074 -0.329 RESID 199 (A): -4.868 ----- -0.996 -0.514 0.433 0.290 RESID 200 (A): -3.826 ----- -0.651 -0.752 1.320 -1.464 RESID 201 (H): 0.293 ----- -0.499 0.369 -0.451 -0.242 RESID 202 (S): -3.989 ----- 0.042 -1.081 -0.129 -0.695 RESID 203 (A): -2.957 ----- -0.379 -0.548 2.304 0.312 RESID 204 (N): 0.064 ----- -0.160 -0.556 -2.095 0.107 RESID 205 (L): 5.484 ----- 0.140 0.853 1.519 1.654 RESID 206 (W): 1.653 ----- 0.657 -0.750 -1.136 0.637 RESID 207 (T): 1.782 ----- 2.816 0.894 -1.866 -0.110 RESID 208 (P): ----- ----- -0.850 0.733 -0.217 ----- RESID 209 (E): -2.747 ----- 0.291 0.064 -0.384 -0.360 RESID 210 (S): 0.715 ----- -1.631 -1.081 2.840 0.223 RESID 211 (A): -2.123 ----- 0.744 0.101 -0.231 -0.149 RESID 212 (Q): 0.569 ----- -0.916 2.442 -0.332 0.017 RESID 213 (G): -0.148 ----- -0.914 0.690 ----- -0.243 RESID 214 (Q): -0.761 ----- 0.611 0.290 0.419 0.426 RESID 215 (M): -1.420 ----- -0.370 0.119 -0.794 -0.289 RESID 216 (L): -3.022 ----- 0.866 0.507 -1.449 -0.453 RESID 217 (E): 1.346 ----- 2.969 1.284 -0.270 0.202 RESID 218 (Q): 5.239 ----- -0.760 0.974 -0.277 0.550 RESID 219 (L): 0.685 ----- -2.251 -1.343 1.454 -0.327 RESID 220 (G): 1.912 ----- 1.765 0.065 ----- -0.385 RESID 221 (F): 0.141 ----- 0.845 1.945 -3.846 0.227 RESID 222 (T): 1.597 ----- 0.523 0.543 1.578 0.397 RESID 223 (L): 1.176 ----- 1.672 1.349 -1.131 1.068 RESID 224 (A): -1.279 ----- 1.546 1.474 -2.186 0.979 RESID 225 (K): 2.207 ----- 0.611 0.022 0.169 0.238 RESID 226 (L): -1.809 ----- -0.111 -0.518 0.476 0.113 RESID 227 (P): ----- ----- -0.266 -0.028 0.172 ----- RESID 228 (A): 0.095 ----- 1.035 0.721 0.010 -0.098 RESID 229 (G): 0.218 ----- -0.999 0.610 ----- 0.473 RESID 230 (L): -1.250 ----- -1.435 0.091 0.942 -0.430 RESID 231 (N): -0.446 ----- -0.609 -2.495 0.943 0.177 RESID 232 (A): 4.901 ----- 0.027 1.421 1.297 0.181 RESID 233 (S): -0.041 ----- -0.482 -1.709 0.950 -0.277 RESID 234 (Q): 1.454 ----- 0.712 0.175 -1.323 0.446 RESID 235 (S): -0.981 ----- 0.241 0.015 1.613 -0.212 RESID 236 (Q): -4.835 ----- 1.263 1.119 1.639 -0.493 RESID 237 (G): 1.379 ----- 1.139 0.251 ----- 0.802 RESID 238 (K): -0.985 ----- 1.108 0.486 0.559 -0.391 RESID 239 (R): -4.087 ----- ----- 0.190 0.652 -0.341 RESID 240 (H): ----- ----- -1.724 -2.862 -0.307 ----- RESID 241 (D): 0.572 ----- -1.573 -0.496 -0.674 0.658 RESID 242 (I): 0.212 ----- 1.210 -0.311 2.752 -0.324 RESID 243 (I): -0.971 ----- 1.032 -0.299 2.917 0.206 RESID 244 (Q): 0.877 ----- 1.049 1.533 -0.001 0.172 RESID 245 (L): 1.989 ----- -0.406 0.672 0.237 0.288 RESID 246 (G): 4.643 ----- -0.130 -0.447 ----- -0.020 RESID 247 (G): -0.160 ----- 1.817 3.144 ----- 0.931 RESID 248 (E): 2.539 ----- 0.771 1.065 0.071 0.457 RESID 249 (N): 0.310 ----- -0.486 -0.198 0.691 0.382 RESID 250 (L): 1.198 ----- -0.995 1.819 0.746 -0.682 RESID 251 (A): -5.033 ----- 1.333 0.683 -0.429 -0.171 RESID 252 (A): -1.196 ----- 0.779 1.606 0.003 -1.035 RESID 253 (G): -7.312 ----- -2.101 0.358 ----- 0.027 RESID 254 (L): 1.958 ----- -2.285 -1.844 -3.019 -0.581 RESID 255 (N): -7.693 ----- 0.344 -0.559 -1.219 -1.139 RESID 256 (G): 2.471 ----- -2.369 0.448 ----- -0.698 RESID 257 (E): 1.335 ----- 1.325 1.291 -0.827 -0.196 RESID 258 (S): -6.181 ----- 0.061 -0.532 2.581 -0.835 RESID 259 (L): -2.671 ----- -2.585 -0.746 3.867 0.931 RESID 260 (F): 0.625 ----- -1.828 1.482 1.122 1.149 RESID 261 (L): 3.719 ----- 0.500 0.825 -4.045 0.860 RESID 262 (F): 1.525 ----- -0.322 1.855 1.429 0.220 RESID 263 (A): -2.226 ----- -1.727 0.980 2.887 0.598 RESID 264 (G): -7.091 ----- -1.630 0.479 ----- -1.138 RESID 265 (D): -0.367 ----- 0.033 -1.114 0.583 0.941 RESID 266 (Q): -1.193 ----- 0.140 -0.440 -0.157 -0.328 RESID 267 (K): -1.087 ----- 2.314 -0.161 -0.347 -0.044 RESID 268 (D): 1.945 ----- -0.941 1.005 1.300 -0.469 RESID 269 (A): 0.223 ----- 0.578 0.714 -0.702 -0.250 RESID 270 (D): 0.278 ----- 2.786 1.258 -0.390 0.782 RESID 271 (A): 3.014 ----- 1.475 1.474 -1.024 0.537 RESID 272 (I): -120.453 ----- 1.350 -0.774 -2.416 -1.060 RESID 273 (Y): -0.688 ----- 0.220 2.791 1.932 0.219 RESID 274 (A): -3.235 ----- 0.011 -0.972 0.162 -0.338 RESID 275 (N): 1.653 ----- 1.688 -0.313 1.552 -0.754 RESID 276 (P): ----- ----- 0.400 -0.278 0.400 ----- RESID 277 (L): -0.713 ----- -0.915 -0.922 0.215 -0.152 RESID 278 (L): -1.485 ----- -1.276 -1.744 -0.343 -0.195 RESID 279 (A): -4.499 ----- -0.106 0.718 1.108 -1.247 RESID 280 (H): -3.687 ----- 0.294 -0.896 0.899 0.144 RESID 281 (L): 1.590 ----- 0.431 0.369 -1.459 -0.156 RESID 282 (P): ----- ----- -0.179 0.368 0.426 ----- RESID 283 (A): -3.218 ----- -0.840 0.437 1.305 -0.456 RESID 284 (V): -3.296 ----- 1.073 -0.246 1.746 -1.123 RESID 285 (Q): 0.760 ----- 0.344 0.702 0.473 0.769 RESID 286 (N): -1.382 ----- 0.644 0.434 -0.351 0.078 RESID 287 (K): 2.587 ----- -0.123 0.232 -0.964 0.031 RESID 288 (Q): 2.557 ----- -0.374 -1.870 -0.357 0.472 RESID 289 (V): 0.611 ----- -0.053 0.483 -1.382 -0.667 RESID 290 (Y): 1.127 ----- -0.301 0.345 -1.778 -0.295 RESID 291 (A): 4.882 ----- 1.558 1.167 -1.580 0.405 RESID 292 (L): 0.971 ----- -0.729 0.628 0.218 -0.590 RESID 293 (G): 3.664 ----- 3.543 0.682 ----- 0.591 RESID 294 (T): 1.059 ----- 0.385 -0.019 -0.863 0.237 RESID 295 (E): 2.199 ----- 1.109 0.226 0.234 1.538 RESID 296 (T): -5.623 ----- -0.702 1.103 1.417 -0.849 RESID 297 (F): -1.565 ----- -1.355 0.646 -0.138 0.302 RESID 298 (R): -2.976 ----- 0.906 -1.593 1.363 -0.699 RESID 299 (L): -0.975 ----- 0.399 0.361 -2.454 0.500 RESID 300 (D): 1.050 ----- -2.230 -1.404 0.639 -0.978 RESID 301 (Y): -3.376 ----- -0.894 -1.672 0.034 -1.059 RESID 302 (Y): -3.600 ----- 3.073 1.058 -0.091 -0.778 RESID 303 (S): 3.658 ----- -0.264 -0.590 0.194 -0.068 RESID 304 (A): 1.255 ----- 0.961 1.063 0.090 0.969 RESID 305 (M): -1.365 ----- 0.419 -1.885 -1.033 -0.154 RESID 306 (Q): 0.489 ----- 0.162 0.531 -0.373 -0.125 RESID 308 (L): ----- ----- 0.208 0.262 0.408 ----- RESID 309 (D): 0.054 ----- 0.713 0.287 0.485 -0.036 RESID 310 (R): 1.091 ----- 0.170 -0.597 -0.331 0.868 RESID 311 (L): -0.707 ----- 0.078 0.271 0.497 0.157 RESID 312 (K): -2.224 ----- -0.394 0.078 -0.052 -0.222 RESID 313 (A): -1.269 ----- 1.351 0.649 -0.455 -0.304 RESID 314 (L): 0.321 ----- 0.948 -0.467 1.376 -0.696 DATA CS_STAT_INFO N RMS: 8.234 ppm Count: 256 Average Difference: 0.477 +/- 8.236 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.223 ppm Count: 281 Average Difference: -0.160 +/- 1.215 ppm DATA CS_STAT_INFO CA RMS: 1.339 ppm Count: 283 Average Difference: -0.101 +/- 1.337 ppm DATA CS_STAT_INFO CB RMS: 1.424 ppm Count: 260 Average Difference: -0.158 +/- 1.418 ppm DATA CS_STAT_INFO HN RMS: 0.717 ppm Count: 256 Average Difference: -0.022 +/- 0.718 ppm ############################################################################ For conformer 21: Atom Original Corrected SPARTA Difference RESID 25 (D): N 120.600 120.600 120.584 0.016 RESID 25 (D): C 174.400 174.400 175.894 -1.494 RESID 25 (D): CA 55.230 55.230 53.035 2.195 RESID 25 (D): CB 41.340 41.340 41.857 -0.517 RESID 25 (D): H 8.275 8.275 8.202 0.073 RESID 26 (W): N 120.100 120.100 123.611 -3.511 RESID 26 (W): C 174.200 174.200 175.079 -0.879 RESID 26 (W): CA 55.330 55.330 55.025 0.305 RESID 26 (W): CB 31.090 31.090 27.870 3.220 RESID 26 (W): H 7.788 7.788 7.485 0.303 RESID 27 (P): C 175.900 175.900 175.889 0.011 RESID 27 (P): CA 62.800 62.800 63.089 -0.289 RESID 27 (P): CB 37.260 37.260 32.312 4.948 RESID 28 (R): N 118.000 118.000 121.854 -3.854 RESID 28 (R): C 173.700 173.700 175.095 -1.395 RESID 28 (R): CA 55.160 55.160 54.434 0.726 RESID 28 (R): CB 33.430 33.430 32.674 0.756 RESID 28 (R): H 8.686 8.686 8.630 0.056 RESID 29 (Q): N 120.800 120.800 121.620 -0.820 RESID 29 (Q): C 175.500 175.500 174.901 0.599 RESID 29 (Q): CA 54.780 54.780 56.033 -1.253 RESID 29 (Q): CB 30.700 30.700 29.277 1.423 RESID 29 (Q): H 8.506 8.506 8.592 -0.086 RESID 30 (I): N 124.300 124.300 126.107 -1.807 RESID 30 (I): C 175.700 175.700 175.063 0.637 RESID 30 (I): CA 58.520 58.520 59.435 -0.915 RESID 30 (I): CB 40.680 40.680 41.198 -0.518 RESID 30 (I): H 9.002 9.002 7.934 1.068 RESID 31 (T): N 125.200 125.200 122.039 3.161 RESID 31 (T): C 174.400 174.400 173.653 0.747 RESID 31 (T): CA 62.150 62.150 63.479 -1.329 RESID 31 (T): CB 70.640 70.640 69.593 1.047 RESID 31 (T): H 8.989 8.989 8.404 0.585 RESID 32 (D): N 129.500 129.500 124.127 5.373 RESID 32 (D): C 177.400 177.400 176.291 1.109 RESID 32 (D): CA 52.630 52.630 52.016 0.614 RESID 32 (D): CB 42.950 42.950 43.991 -1.041 RESID 32 (D): H 9.389 9.389 7.984 1.405 RESID 33 (S): N 111.900 111.900 116.329 -4.429 RESID 33 (S): C 175.600 175.600 176.174 -0.574 RESID 33 (S): CA 60.920 60.920 60.516 0.404 RESID 33 (S): CB 63.430 63.430 63.819 -0.389 RESID 33 (S): H 8.075 8.075 8.296 -0.221 RESID 34 (R): N 120.600 120.600 122.985 -2.385 RESID 34 (R): C 176.100 176.100 176.737 -0.637 RESID 34 (R): CA 55.020 55.020 58.675 -3.655 RESID 34 (R): CB 30.850 30.850 30.665 0.185 RESID 34 (R): H 8.433 8.433 8.020 0.413 RESID 35 (G): N 108.900 108.900 103.760 5.140 RESID 35 (G): C 171.200 171.200 173.456 -2.256 RESID 35 (G): CA 45.060 45.060 45.569 -0.508 RESID 35 (G): H 7.837 7.837 8.602 -0.765 RESID 36 (T): N 116.300 116.300 116.148 0.152 RESID 36 (T): C 173.800 173.800 172.997 0.803 RESID 36 (T): CA 62.670 62.670 62.640 0.030 RESID 36 (T): CB 70.000 70.000 70.129 -0.129 RESID 36 (T): H 8.192 8.192 7.601 0.591 RESID 37 (H): N 125.800 125.800 125.334 0.466 RESID 37 (H): C 174.000 174.000 173.266 0.734 RESID 37 (H): CA 54.060 54.060 55.364 -1.304 RESID 37 (H): CB 31.020 31.020 33.038 -2.018 RESID 37 (H): H 8.986 8.986 8.627 0.359 RESID 38 (T): N 121.500 121.500 117.384 4.116 RESID 38 (T): C 174.200 174.200 172.842 1.358 RESID 38 (T): CA 63.190 63.190 61.095 2.095 RESID 38 (T): CB 70.080 70.080 71.311 -1.231 RESID 38 (T): H 9.101 9.101 7.564 1.537 RESID 39 (L): N 129.600 129.600 122.453 7.147 RESID 39 (L): C 176.900 176.900 176.804 0.096 RESID 39 (L): CA 53.990 53.990 53.477 0.513 RESID 39 (L): CB 43.160 43.160 44.034 -0.874 RESID 39 (L): H 9.145 9.145 8.712 0.433 RESID 40 (E): N 124.300 124.300 125.964 -1.664 RESID 40 (E): C 175.600 175.600 175.913 -0.313 RESID 40 (E): CA 59.420 59.420 59.111 0.309 RESID 40 (E): CB 30.710 30.710 30.229 0.481 RESID 40 (E): H 9.164 9.164 9.031 0.133 RESID 41 (S): N 108.300 108.300 110.166 -1.866 RESID 41 (S): C 171.700 171.700 173.184 -1.484 RESID 41 (S): CA 56.270 56.270 57.175 -0.905 RESID 41 (S): CB 65.420 65.420 64.832 0.588 RESID 41 (S): H 7.326 7.326 7.483 -0.157 RESID 42 (Q): N 123.900 123.900 120.614 3.286 RESID 42 (Q): C 174.600 174.600 174.756 -0.156 RESID 42 (Q): CA 53.730 53.730 55.743 -2.013 RESID 42 (Q): CB 28.470 28.470 27.921 0.549 RESID 42 (Q): H 7.339 7.339 8.601 -1.262 RESID 43 (P): C 176.300 176.300 176.719 -0.419 RESID 43 (P): CA 64.080 64.080 63.314 0.766 RESID 43 (P): CB 32.510 32.510 32.433 0.077 RESID 44 (Q): N 125.100 125.100 122.479 2.621 RESID 44 (Q): C 175.400 175.400 176.066 -0.666 RESID 44 (Q): CA 55.780 55.780 57.390 -1.610 RESID 44 (Q): CB 32.660 32.660 29.755 2.905 RESID 44 (Q): H 11.160 11.160 8.578 2.583 RESID 45 (R): N 125.700 125.700 117.468 8.232 RESID 45 (R): C 174.600 174.600 174.100 0.500 RESID 45 (R): CA 55.310 55.310 55.237 0.073 RESID 45 (R): CB 33.070 33.070 33.101 -0.031 RESID 45 (R): H 10.010 10.010 7.565 2.445 RESID 47 (V): C 174.700 174.700 174.350 0.350 RESID 47 (V): CA 60.970 60.970 61.224 -0.254 RESID 47 (V): CB 34.140 34.140 34.407 -0.267 RESID 48 (S): N 118.300 118.300 120.310 -2.010 RESID 48 (S): C 175.500 175.500 173.588 1.912 RESID 48 (S): CA 55.700 55.700 57.611 -1.911 RESID 48 (S): CB 64.750 64.750 65.863 -1.113 RESID 48 (S): H 7.852 7.852 8.500 -0.648 RESID 49 (T): N 116.800 116.800 112.619 4.181 RESID 49 (T): C 171.500 171.500 174.411 -2.911 RESID 49 (T): CA 62.400 62.400 61.467 0.933 RESID 49 (T): CB 69.320 69.320 69.702 -0.382 RESID 49 (T): H 8.283 8.283 8.637 -0.354 RESID 50 (S): N 116.200 116.200 116.631 -0.431 RESID 50 (S): C 174.600 174.600 175.182 -0.582 RESID 50 (S): CA 54.640 54.640 56.675 -2.035 RESID 50 (S): CB 64.000 64.000 64.051 -0.051 RESID 50 (S): H 7.627 7.627 7.734 -0.107 RESID 51 (V): N 134.300 134.300 129.378 4.922 RESID 51 (V): C 175.100 175.100 177.916 -2.816 RESID 51 (V): CA 65.620 65.620 65.962 -0.342 RESID 51 (V): CB 31.790 31.790 31.899 -0.109 RESID 51 (V): H 9.218 9.218 9.046 0.172 RESID 52 (T): N 117.000 117.000 116.418 0.582 RESID 52 (T): C 179.700 179.700 176.484 3.216 RESID 52 (T): CA 67.390 67.390 66.520 0.869 RESID 52 (T): CB 69.130 69.130 68.863 0.267 RESID 52 (T): H 7.841 7.841 7.969 -0.128 RESID 53 (L): N 123.400 123.400 122.283 1.117 RESID 53 (L): C 178.700 178.700 178.265 0.435 RESID 53 (L): CA 57.460 57.460 58.155 -0.695 RESID 53 (L): CB 42.610 42.610 41.780 0.830 RESID 53 (L): H 8.092 8.092 8.593 -0.501 RESID 54 (T): N 117.500 117.500 115.723 1.777 RESID 54 (T): C 174.900 174.900 176.651 -1.751 RESID 54 (T): CA 67.070 67.070 67.721 -0.651 RESID 54 (T): H 8.039 8.039 8.149 -0.110 RESID 55 (G): N 105.500 105.500 109.182 -3.682 RESID 55 (G): C 175.600 175.600 175.775 -0.175 RESID 55 (G): CA 47.260 47.260 46.950 0.310 RESID 55 (G): H 6.591 6.591 7.871 -1.280 RESID 56 (S): N 117.000 117.000 117.792 -0.792 RESID 56 (S): C 175.600 175.600 176.756 -1.156 RESID 56 (S): CA 63.400 63.400 61.440 1.960 RESID 56 (S): CB 65.060 65.060 63.085 1.975 RESID 56 (S): H 6.709 6.709 7.956 -1.247 RESID 58 (L): C 181.200 181.200 179.437 1.763 RESID 58 (L): CA 57.480 57.480 57.769 -0.289 RESID 58 (L): CB 40.810 40.810 40.919 -0.109 RESID 59 (A): N 122.100 122.100 122.869 -0.769 RESID 59 (A): C 178.500 178.500 178.811 -0.311 RESID 59 (A): CA 55.540 55.540 54.800 0.740 RESID 59 (A): CB 18.440 18.440 18.752 -0.312 RESID 59 (A): H 7.797 7.797 8.114 -0.317 RESID 60 (I): C 172.700 172.700 174.243 -1.543 RESID 60 (I): CA 60.390 60.390 60.236 0.154 RESID 60 (I): CB 37.930 37.930 37.479 0.451 RESID 61 (D): N 116.200 116.200 118.530 -2.330 RESID 61 (D): C 174.800 174.800 174.549 0.251 RESID 61 (D): CA 55.850 55.850 55.809 0.041 RESID 61 (D): CB 38.930 38.930 38.963 -0.033 RESID 61 (D): H 7.736 7.736 7.739 -0.003 RESID 62 (A): N 118.900 118.900 121.948 -3.048 RESID 62 (A): C 176.800 176.800 174.114 2.686 RESID 62 (A): CA 50.040 50.040 50.877 -0.837 RESID 62 (A): CB 17.940 17.940 19.579 -1.639 RESID 62 (A): H 7.820 7.820 7.739 0.081 RESID 63 (P): C 173.600 173.600 175.711 -2.111 RESID 63 (P): CA 63.250 63.250 62.647 0.603 RESID 63 (P): CB 27.640 27.640 32.340 -4.700 RESID 64 (V): N 123.100 123.100 119.255 3.845 RESID 64 (V): C 174.800 174.800 175.711 -0.911 RESID 64 (V): CA 58.420 58.420 59.860 -1.440 RESID 64 (V): CB 33.300 33.300 34.123 -0.823 RESID 64 (V): H 8.299 8.299 7.864 0.435 RESID 65 (I): N 122.000 122.000 126.115 -4.115 RESID 65 (I): C 177.100 177.100 176.044 1.056 RESID 65 (I): CA 61.010 61.010 63.987 -2.977 RESID 65 (I): CB 39.480 39.480 38.150 1.330 RESID 65 (I): H 8.589 8.589 8.343 0.246 RESID 66 (A): N 120.700 120.700 117.524 3.176 RESID 66 (A): C 175.100 175.100 175.144 -0.044 RESID 66 (A): CA 51.300 51.300 50.701 0.599 RESID 66 (A): CB 22.980 22.980 21.570 1.410 RESID 66 (A): H 7.246 7.246 7.688 -0.442 RESID 67 (S): N 111.700 111.700 116.755 -5.055 RESID 67 (S): C 176.500 176.500 174.305 2.195 RESID 67 (S): CA 55.230 55.230 57.309 -2.079 RESID 67 (S): CB 65.300 65.300 67.723 -2.423 RESID 67 (S): H 8.561 8.561 8.330 0.231 RESID 68 (G): N 112.900 112.900 107.344 5.556 RESID 68 (G): C 171.000 171.000 172.606 -1.606 RESID 68 (G): CA 46.580 46.580 44.577 2.003 RESID 68 (G): H 7.604 7.604 8.647 -1.043 RESID 69 (A): N 122.300 122.300 126.052 -3.752 RESID 69 (A): C 177.900 177.900 175.184 2.716 RESID 69 (A): CA 51.280 51.280 52.410 -1.130 RESID 69 (A): CB 23.440 23.440 21.438 2.002 RESID 69 (A): H 7.402 7.402 8.358 -0.956 RESID 70 (T): N 119.600 119.600 113.710 5.890 RESID 70 (T): C 171.400 171.400 174.039 -2.639 RESID 70 (T): CA 58.150 58.150 61.272 -3.122 RESID 70 (T): CB 70.880 70.880 70.159 0.721 RESID 70 (T): H 9.171 9.171 8.118 1.053 RESID 71 (T): N 116.500 116.500 120.848 -4.348 RESID 71 (T): C 172.500 172.500 173.136 -0.636 RESID 71 (T): CA 61.680 61.680 61.343 0.337 RESID 71 (T): CB 70.490 70.490 68.994 1.496 RESID 71 (T): H 7.663 7.663 8.397 -0.734 RESID 72 (P): C 177.100 177.100 176.075 1.025 RESID 72 (P): CA 63.390 63.390 63.643 -0.253 RESID 72 (P): CB 32.940 32.940 32.182 0.758 RESID 73 (N): N 115.200 115.200 119.756 -4.556 RESID 73 (N): C 174.600 174.600 176.220 -1.620 RESID 73 (N): CA 54.570 54.570 53.896 0.674 RESID 73 (N): CB 37.020 37.020 38.472 -1.452 RESID 73 (N): H 7.990 7.990 8.660 -0.670 RESID 74 (N): C 175.800 175.800 176.990 -1.190 RESID 74 (N): CA 60.660 60.660 55.691 4.969 RESID 74 (N): CB 38.070 38.070 37.794 0.276 RESID 75 (R): N 114.600 114.600 120.972 -6.372 RESID 75 (R): C 177.400 177.400 177.535 -0.135 RESID 75 (R): CA 59.940 59.940 58.873 1.067 RESID 75 (R): CB 31.110 31.110 30.047 1.063 RESID 75 (R): H 8.049 8.049 8.319 -0.270 RESID 76 (V): N 107.100 107.100 117.307 -10.207 RESID 76 (V): C 176.000 176.000 175.951 0.049 RESID 76 (V): CA 61.110 61.110 64.051 -2.941 RESID 76 (V): CB 33.590 33.590 31.576 2.014 RESID 76 (V): H 7.356 7.356 8.178 -0.822 RESID 77 (A): N 126.900 126.900 121.141 5.759 RESID 77 (A): C 176.500 176.500 177.566 -1.066 RESID 77 (A): CA 51.390 51.390 52.429 -1.039 RESID 77 (A): CB 24.260 24.260 19.134 5.126 RESID 77 (A): H 7.873 7.873 7.168 0.705 RESID 78 (D): N 118.700 118.700 116.965 1.735 RESID 78 (D): C 178.100 178.100 175.898 2.202 RESID 78 (D): CA 51.970 51.970 52.889 -0.919 RESID 78 (D): CB 41.360 41.360 40.993 0.367 RESID 78 (D): H 8.607 8.607 8.178 0.429 RESID 79 (D): N 116.600 116.600 115.767 0.833 RESID 79 (D): C 176.400 176.400 176.110 0.290 RESID 79 (D): CA 56.030 56.030 54.941 1.089 RESID 79 (D): CB 40.100 40.100 39.211 0.889 RESID 79 (D): H 8.258 8.258 8.405 -0.147 RESID 80 (Q): N 117.200 117.200 121.558 -4.358 RESID 80 (Q): C 175.700 175.700 176.882 -1.182 RESID 80 (Q): CA 54.970 54.970 56.472 -1.502 RESID 80 (Q): CB 30.840 30.840 28.422 2.417 RESID 80 (Q): H 8.160 8.160 8.340 -0.180 RESID 81 (G): N 105.300 105.300 105.289 0.011 RESID 81 (G): C 174.200 174.200 173.347 0.853 RESID 81 (G): CA 45.740 45.740 44.793 0.947 RESID 81 (G): H 7.419 7.419 8.065 -0.646 RESID 82 (F): N 121.700 121.700 121.067 0.633 RESID 82 (F): C 175.300 175.300 175.741 -0.441 RESID 82 (F): CA 52.530 52.530 56.782 -4.252 RESID 82 (F): CB 37.430 37.430 40.068 -2.638 RESID 82 (F): H 8.154 8.154 7.852 0.302 RESID 83 (L): C 178.400 178.400 177.437 0.963 RESID 83 (L): CA 55.550 55.550 55.202 0.348 RESID 83 (L): CB 38.480 38.480 41.948 -3.468 RESID 84 (R): N 119.000 119.000 118.679 0.321 RESID 84 (R): C 178.300 178.300 177.538 0.762 RESID 84 (R): CA 60.690 60.690 57.218 3.472 RESID 84 (R): CB 31.530 31.530 29.898 1.632 RESID 84 (R): H 7.746 7.746 8.434 -0.688 RESID 85 (Q): N 116.400 116.400 119.043 -2.643 RESID 85 (Q): C 174.700 174.700 177.390 -2.690 RESID 85 (Q): CA 58.200 58.200 58.001 0.199 RESID 85 (Q): CB 26.140 26.140 29.298 -3.158 RESID 85 (Q): H 9.838 9.838 7.963 1.875 RESID 86 (W): N 115.600 115.600 121.971 -6.371 RESID 86 (W): C 175.900 175.900 177.764 -1.864 RESID 86 (W): CA 55.320 55.320 60.457 -5.137 RESID 86 (W): CB 27.470 27.470 29.617 -2.147 RESID 86 (W): H 6.600 6.600 8.563 -1.963 RESID 87 (S): N 118.500 118.500 114.555 3.945 RESID 87 (S): C 177.300 177.300 175.849 1.451 RESID 87 (S): CA 62.340 62.340 61.815 0.525 RESID 87 (S): H 7.067 7.067 8.350 -1.283 RESID 88 (K): N 118.300 118.300 122.228 -3.928 RESID 88 (K): C 179.000 179.000 178.825 0.175 RESID 88 (K): CA 59.970 59.970 59.506 0.464 RESID 88 (K): CB 32.380 32.380 32.473 -0.093 RESID 88 (K): H 8.615 8.615 7.646 0.969 RESID 89 (V): N 120.600 120.600 114.275 6.325 RESID 89 (V): C 178.100 178.100 177.302 0.798 RESID 89 (V): CA 65.530 65.530 65.454 0.076 RESID 89 (V): CB 32.180 32.180 31.668 0.512 RESID 89 (V): H 7.089 7.089 7.741 -0.652 RESID 90 (A): N 120.700 120.700 121.138 -0.438 RESID 90 (A): C 180.000 180.000 178.940 1.060 RESID 90 (A): CA 55.490 55.490 54.158 1.332 RESID 90 (A): CB 19.130 19.130 17.810 1.320 RESID 90 (A): H 7.979 7.979 7.324 0.655 RESID 91 (K): N 117.600 117.600 118.058 -0.458 RESID 91 (K): C 180.900 180.900 177.890 3.010 RESID 91 (K): CA 59.830 59.830 58.844 0.986 RESID 91 (K): CB 32.700 32.700 32.712 -0.011 RESID 91 (K): H 7.844 7.844 8.118 -0.274 RESID 92 (E): N 122.300 122.300 117.232 5.068 RESID 92 (E): C 178.600 178.600 177.107 1.493 RESID 92 (E): CA 59.590 59.590 57.312 2.278 RESID 92 (E): CB 29.740 29.740 30.403 -0.663 RESID 92 (E): H 8.178 8.178 7.705 0.473 RESID 93 (R): N 115.300 115.300 118.439 -3.139 RESID 93 (R): C 175.000 175.000 174.666 0.334 RESID 93 (R): CA 56.320 56.320 55.526 0.794 RESID 93 (R): CB 29.390 29.390 30.919 -1.529 RESID 93 (R): H 7.776 7.776 8.057 -0.281 RESID 94 (K): N 116.800 116.800 115.048 1.752 RESID 94 (K): C 176.400 176.400 175.720 0.680 RESID 94 (K): CA 56.950 56.950 57.593 -0.643 RESID 94 (K): CB 28.870 28.870 30.282 -1.412 RESID 94 (K): H 7.697 7.697 8.401 -0.704 RESID 95 (L): N 120.600 120.600 121.613 -1.013 RESID 95 (L): C 177.200 177.200 176.893 0.307 RESID 95 (L): CA 56.710 56.710 56.008 0.702 RESID 95 (L): CB 43.480 43.480 42.423 1.057 RESID 95 (L): H 7.708 7.708 7.641 0.067 RESID 96 (Q): N 124.900 124.900 124.419 0.481 RESID 96 (Q): C 175.000 175.000 175.942 -0.942 RESID 96 (Q): CA 55.570 55.570 54.925 0.645 RESID 96 (Q): CB 30.080 30.080 29.745 0.335 RESID 96 (Q): H 7.526 7.526 8.392 -0.866 RESID 97 (R): N 126.000 126.000 119.554 6.446 RESID 97 (R): C 176.800 176.800 175.974 0.826 RESID 97 (R): CA 55.610 55.610 56.700 -1.090 RESID 97 (R): CB 31.840 31.840 30.337 1.503 RESID 97 (R): H 9.039 9.039 8.536 0.503 RESID 98 (L): N 126.500 126.500 124.128 2.372 RESID 98 (L): C 175.400 175.400 175.406 -0.006 RESID 98 (L): CA 56.610 56.610 54.331 2.279 RESID 98 (L): CB 47.140 47.140 43.642 3.498 RESID 98 (L): H 8.247 8.247 8.666 -0.419 RESID 99 (Y): N 110.000 110.000 112.206 -2.206 RESID 99 (Y): C 173.200 173.200 174.590 -1.390 RESID 99 (Y): CA 55.320 55.320 56.105 -0.785 RESID 99 (Y): CB 38.350 38.350 39.362 -1.012 RESID 99 (Y): H 6.465 6.465 7.839 -1.374 RESID 100 (I): N 120.000 120.000 126.265 -6.265 RESID 100 (I): C 176.800 176.800 177.125 -0.325 RESID 100 (I): CA 61.290 61.290 63.072 -1.782 RESID 100 (I): CB 39.980 39.980 36.399 3.581 RESID 100 (I): H 8.725 8.725 8.627 0.098 RESID 101 (G): N 114.800 114.800 113.923 0.877 RESID 101 (G): C 173.400 173.400 174.099 -0.699 RESID 101 (G): CA 47.030 47.030 44.818 2.212 RESID 101 (G): H 8.224 8.224 8.493 -0.269 RESID 102 (E): N 129.600 129.600 118.693 10.907 RESID 102 (E): C 173.700 173.700 174.484 -0.784 RESID 102 (E): CA 54.480 54.480 54.002 0.478 RESID 102 (E): CB 29.790 29.790 27.762 2.028 RESID 102 (E): H 8.294 8.294 8.010 0.284 RESID 103 (P): C 175.400 175.400 176.230 -0.830 RESID 103 (P): CA 62.040 62.040 63.430 -1.390 RESID 103 (P): CB 32.570 32.570 32.660 -0.090 RESID 104 (S): N 111.900 111.900 117.160 -5.260 RESID 104 (S): C 174.800 174.800 174.626 0.174 RESID 104 (S): CA 55.340 55.340 58.496 -3.156 RESID 104 (S): CB 64.330 64.330 64.413 -0.083 RESID 104 (S): H 5.412 5.412 7.968 -2.556 RESID 105 (A): N 130.200 130.200 129.965 0.235 RESID 105 (A): C 179.400 179.400 179.052 0.348 RESID 105 (A): CA 55.070 55.070 54.328 0.742 RESID 105 (A): CB 18.210 18.210 19.109 -0.899 RESID 105 (A): H 9.211 9.211 8.881 0.330 RESID 106 (E): N 119.800 119.800 119.476 0.324 RESID 106 (E): C 179.300 179.300 178.870 0.430 RESID 106 (E): CA 60.270 60.270 59.046 1.224 RESID 106 (E): CB 28.990 28.990 29.461 -0.471 RESID 106 (E): H 8.731 8.731 8.582 0.149 RESID 107 (A): N 121.600 121.600 122.368 -0.768 RESID 107 (A): C 180.100 180.100 179.788 0.312 RESID 107 (A): CA 54.650 54.650 55.088 -0.438 RESID 107 (A): CB 19.220 19.220 18.380 0.840 RESID 107 (A): H 7.682 7.682 7.878 -0.196 RESID 108 (V): N 116.600 116.600 118.285 -1.685 RESID 108 (V): C 177.700 177.700 178.634 -0.934 RESID 108 (V): CA 66.920 66.920 65.753 1.167 RESID 108 (V): CB 31.430 31.430 31.096 0.334 RESID 108 (V): H 7.015 7.015 7.549 -0.534 RESID 109 (A): N 121.400 121.400 123.393 -1.993 RESID 109 (A): C 181.100 181.100 179.320 1.780 RESID 109 (A): CA 55.540 55.540 55.019 0.521 RESID 109 (A): CB 17.900 17.900 18.105 -0.205 RESID 109 (A): H 8.262 8.262 8.233 0.029 RESID 110 (A): N 118.800 118.800 119.543 -0.743 RESID 110 (A): C 178.900 178.900 178.653 0.247 RESID 110 (A): CA 54.300 54.300 54.554 -0.254 RESID 110 (A): CB 18.460 18.460 18.486 -0.026 RESID 110 (A): H 7.607 7.607 7.914 -0.307 RESID 111 (Q): N 113.500 113.500 114.544 -1.044 RESID 111 (Q): C 174.900 174.900 175.961 -1.061 RESID 111 (Q): CA 55.160 55.160 54.258 0.902 RESID 111 (Q): CB 28.450 28.450 28.643 -0.193 RESID 111 (Q): H 7.148 7.148 7.443 -0.295 RESID 112 (M): N 114.700 114.700 120.809 -6.109 RESID 112 (M): C 173.300 173.300 173.232 0.068 RESID 112 (M): CA 55.900 55.900 55.531 0.369 RESID 112 (M): CB 30.300 30.300 31.731 -1.431 RESID 112 (M): H 7.882 7.882 7.952 -0.070 RESID 113 (P): C 176.700 176.700 176.263 0.437 RESID 113 (P): CA 62.820 62.820 62.610 0.210 RESID 113 (P): CB 33.340 33.340 32.977 0.363 RESID 114 (D): N 115.800 115.800 117.944 -2.144 RESID 114 (D): C 175.900 175.900 175.929 -0.029 RESID 114 (D): CA 53.150 53.150 55.219 -2.069 RESID 114 (D): CB 40.990 40.990 42.950 -1.960 RESID 114 (D): H 8.850 8.850 8.237 0.613 RESID 115 (L): C 174.900 174.900 174.304 0.596 RESID 115 (L): CA 52.800 52.800 54.127 -1.327 RESID 116 (I): N 123.500 123.500 126.275 -2.775 RESID 116 (I): CA 60.270 60.270 60.124 0.146 RESID 116 (I): H 9.340 9.340 8.034 1.306 RESID 118 (I): C 174.400 174.400 175.445 -1.045 RESID 118 (I): CA 60.250 60.250 59.769 0.481 RESID 118 (I): CB 42.610 42.610 41.441 1.169 RESID 119 (S): N 121.600 121.600 121.619 -0.019 RESID 119 (S): C 175.700 175.700 175.148 0.552 RESID 119 (S): CA 57.150 57.150 57.720 -0.570 RESID 119 (S): CB 65.280 65.280 64.608 0.673 RESID 119 (S): H 9.575 9.575 8.555 1.020 RESID 120 (A): N 126.000 126.000 124.487 1.513 RESID 120 (A): C 176.900 176.900 177.421 -0.521 RESID 120 (A): CA 54.300 54.300 54.347 -0.047 RESID 120 (A): CB 20.530 20.530 18.967 1.563 RESID 120 (A): H 8.143 8.143 8.704 -0.561 RESID 121 (T): N 106.400 106.400 110.472 -4.072 RESID 121 (T): C 173.000 173.000 173.102 -0.102 RESID 121 (T): CA 59.450 59.450 61.912 -2.462 RESID 121 (T): CB 72.310 72.310 70.708 1.602 RESID 121 (T): H 7.617 7.617 7.842 -0.225 RESID 122 (G): N 104.200 104.200 110.719 -6.519 RESID 122 (G): C 177.200 177.200 174.130 3.070 RESID 122 (G): CA 44.430 44.430 45.194 -0.764 RESID 122 (G): H 7.998 7.998 7.837 0.161 RESID 123 (G): C 174.100 174.100 174.313 -0.213 RESID 123 (G): CA 46.710 46.710 45.672 1.038 RESID 124 (D): N 116.900 116.900 119.123 -2.223 RESID 124 (D): C 176.900 176.900 175.736 1.164 RESID 124 (D): CA 52.320 52.320 52.924 -0.604 RESID 124 (D): CB 40.690 40.690 40.639 0.051 RESID 124 (D): H 8.617 8.617 7.723 0.894 RESID 125 (S): N 115.100 115.100 119.115 -4.015 RESID 125 (S): C 176.900 176.900 175.187 1.713 RESID 125 (S): CA 58.750 58.750 58.665 0.085 RESID 125 (S): CB 64.190 64.190 64.069 0.121 RESID 125 (S): H 7.322 7.322 8.439 -1.117 RESID 126 (A): N 134.900 134.900 130.111 4.789 RESID 126 (A): C 176.700 176.700 178.655 -1.955 RESID 126 (A): CA 51.150 51.150 53.501 -2.351 RESID 126 (A): CB 16.850 16.850 19.087 -2.236 RESID 126 (A): H 8.837 8.837 8.604 0.233 RESID 127 (L): N 121.000 121.000 121.005 -0.005 RESID 127 (L): C 178.900 178.900 178.333 0.567 RESID 127 (L): CA 58.730 58.730 57.275 1.455 RESID 127 (L): CB 42.840 42.840 41.612 1.228 RESID 127 (L): H 7.353 7.353 8.147 -0.794 RESID 128 (A): N 121.600 121.600 118.111 3.489 RESID 128 (A): C 178.900 178.900 178.117 0.783 RESID 128 (A): CA 55.010 55.010 54.159 0.851 RESID 128 (A): CB 18.200 18.200 18.695 -0.495 RESID 128 (A): H 8.918 8.918 7.619 1.299 RESID 129 (L): N 116.800 116.800 116.198 0.602 RESID 129 (L): C 177.000 177.000 177.884 -0.884 RESID 129 (L): CA 53.930 53.930 55.212 -1.282 RESID 129 (L): CB 42.710 42.710 43.116 -0.406 RESID 129 (L): H 7.776 7.776 7.421 0.355 RESID 130 (Y): N 122.000 122.000 122.806 -0.806 RESID 130 (Y): C 177.100 177.100 176.710 0.390 RESID 130 (Y): CA 64.420 64.420 62.983 1.437 RESID 130 (Y): CB 39.470 39.470 38.422 1.048 RESID 130 (Y): H 7.891 7.891 8.989 -1.098 RESID 131 (D): N 119.000 119.000 117.848 1.152 RESID 131 (D): C 178.300 178.300 178.384 -0.084 RESID 131 (D): CA 58.040 58.040 57.423 0.617 RESID 131 (D): CB 39.660 39.660 39.382 0.278 RESID 131 (D): H 9.014 9.014 8.093 0.921 RESID 132 (Q): N 118.900 118.900 119.823 -0.923 RESID 132 (Q): C 179.100 179.100 178.800 0.300 RESID 132 (Q): CA 58.930 58.930 58.720 0.210 RESID 132 (Q): CB 29.320 29.320 28.723 0.597 RESID 132 (Q): H 7.814 7.814 7.957 -0.143 RESID 133 (L): N 119.700 119.700 120.139 -0.439 RESID 133 (L): C 177.900 177.900 178.594 -0.694 RESID 133 (L): CA 57.910 57.910 57.644 0.266 RESID 133 (L): CB 40.980 40.980 41.797 -0.817 RESID 133 (L): H 8.450 8.450 8.803 -0.353 RESID 134 (S): N 111.800 111.800 114.917 -3.117 RESID 134 (S): C 175.500 175.500 175.836 -0.336 RESID 134 (S): CA 61.160 61.160 60.925 0.235 RESID 134 (S): CB 63.450 63.450 62.714 0.737 RESID 134 (S): H 8.128 8.128 8.460 -0.332 RESID 135 (T): N 111.100 111.100 115.991 -4.891 RESID 135 (T): C 175.300 175.300 176.604 -1.304 RESID 135 (T): CA 63.230 63.230 65.304 -2.074 RESID 135 (T): CB 69.670 69.670 69.008 0.662 RESID 135 (T): H 6.953 6.953 7.554 -0.601 RESID 136 (I): N 124.400 124.400 120.491 3.909 RESID 136 (I): C 175.800 175.800 175.571 0.229 RESID 136 (I): CA 63.940 63.940 64.024 -0.084 RESID 136 (I): CB 38.870 38.870 38.560 0.310 RESID 136 (I): H 7.694 7.694 7.351 0.343 RESID 137 (A): N 120.500 120.500 118.624 1.876 RESID 137 (A): C 172.300 172.300 173.981 -1.681 RESID 137 (A): CA 50.470 50.470 50.590 -0.120 RESID 137 (A): CB 19.320 19.320 19.470 -0.150 RESID 137 (A): H 7.540 7.540 7.968 -0.428 RESID 138 (P): C 174.700 174.700 176.203 -1.503 RESID 138 (P): CA 64.700 64.700 63.601 1.099 RESID 138 (P): CB 31.610 31.610 31.526 0.083 RESID 139 (T): N 122.000 122.000 119.858 2.142 RESID 139 (T): C 173.900 173.900 173.946 -0.046 RESID 139 (T): CA 61.630 61.630 63.194 -1.564 RESID 139 (T): CB 71.540 71.540 69.680 1.860 RESID 139 (T): H 7.990 7.990 8.153 -0.163 RESID 140 (L): C 174.900 174.900 174.287 0.613 RESID 140 (L): CA 52.740 52.740 53.527 -0.787 RESID 140 (L): CB 46.680 46.680 46.070 0.610 RESID 141 (I): N 123.500 123.500 125.695 -2.195 RESID 141 (I): C 175.700 175.700 174.542 1.158 RESID 141 (I): CA 60.250 60.250 61.150 -0.900 RESID 141 (I): CB 39.590 39.590 38.671 0.919 RESID 141 (I): H 9.345 9.345 7.918 1.427 RESID 142 (I): N 129.000 129.000 126.948 2.052 RESID 142 (I): C 174.400 174.400 174.186 0.214 RESID 142 (I): CA 57.930 57.930 59.864 -1.934 RESID 142 (I): CB 39.690 39.690 42.077 -2.387 RESID 142 (I): H 9.030 9.030 8.946 0.084 RESID 143 (N): N 129.100 129.100 124.258 4.842 RESID 143 (N): C 174.700 174.700 174.230 0.470 RESID 143 (N): CA 51.390 51.390 53.311 -1.921 RESID 143 (N): CB 39.720 39.720 39.633 0.087 RESID 143 (N): H 9.388 9.388 8.654 0.734 RESID 144 (Y): N 119.900 119.900 126.085 -6.185 RESID 144 (Y): C 176.500 176.500 174.791 1.709 RESID 144 (Y): CA 55.820 55.820 59.599 -3.779 RESID 144 (Y): CB 39.120 39.120 39.234 -0.115 RESID 144 (Y): H 8.491 8.491 8.453 0.038 RESID 145 (D): N 125.200 125.200 124.276 0.924 RESID 145 (D): C 176.800 176.800 175.045 1.755 RESID 145 (D): CA 55.220 55.220 55.432 -0.212 RESID 145 (D): CB 43.120 43.120 39.744 3.376 RESID 145 (D): H 8.800 8.800 8.349 0.451 RESID 146 (D): N 119.100 119.100 115.302 3.798 RESID 146 (D): C 175.200 175.200 175.278 -0.078 RESID 146 (D): CA 53.230 53.230 53.592 -0.362 RESID 146 (D): CB 40.760 40.760 42.409 -1.649 RESID 146 (D): H 7.571 7.571 8.607 -1.036 RESID 147 (K): N 114.100 114.100 119.776 -5.676 RESID 147 (K): C 175.000 175.000 175.262 -0.262 RESID 147 (K): CA 54.070 54.070 55.604 -1.534 RESID 147 (K): CB 33.340 33.340 35.194 -1.854 RESID 147 (K): H 7.018 7.018 7.560 -0.542 RESID 148 (S): N 118.300 118.300 118.702 -0.402 RESID 148 (S): C 175.700 175.700 176.101 -0.401 RESID 148 (S): CA 57.120 57.120 57.197 -0.077 RESID 148 (S): CB 64.970 64.970 64.236 0.734 RESID 148 (S): H 8.709 8.709 8.502 0.207 RESID 149 (W): N 121.700 121.700 120.007 1.693 RESID 149 (W): C 179.300 179.300 177.213 2.087 RESID 149 (W): CA 59.890 59.890 58.581 1.309 RESID 149 (W): CB 27.660 27.660 28.367 -0.707 RESID 149 (W): H 8.779 8.779 8.923 -0.144 RESID 150 (Q): N 124.600 124.600 120.800 3.800 RESID 150 (Q): C 178.100 178.100 178.005 0.095 RESID 150 (Q): CA 61.660 61.660 58.153 3.507 RESID 150 (Q): CB 26.550 26.550 27.673 -1.123 RESID 150 (Q): H 8.369 8.369 6.808 1.561 RESID 151 (S): N 117.500 117.500 116.408 1.092 RESID 151 (S): C 177.500 177.500 176.912 0.588 RESID 151 (S): CA 61.760 61.760 61.194 0.566 RESID 151 (S): CB 63.360 63.360 62.663 0.697 RESID 151 (S): H 7.769 7.769 7.666 0.103 RESID 152 (L): N 125.200 125.200 122.639 2.561 RESID 152 (L): C 178.700 178.700 178.151 0.549 RESID 152 (L): CA 58.320 58.320 57.920 0.400 RESID 152 (L): CB 41.980 41.980 41.689 0.291 RESID 152 (L): H 8.460 8.460 8.415 0.045 RESID 153 (L): N 119.200 119.200 118.630 0.570 RESID 153 (L): C 179.700 179.700 178.654 1.046 RESID 153 (L): CA 58.960 58.960 57.526 1.434 RESID 153 (L): CB 41.270 41.270 41.367 -0.097 RESID 153 (L): H 8.562 8.562 7.609 0.953 RESID 154 (T): N 116.300 116.300 112.776 3.524 RESID 154 (T): C 177.200 177.200 176.896 0.304 RESID 154 (T): CA 67.290 67.290 65.964 1.326 RESID 154 (T): CB 68.640 68.640 68.102 0.538 RESID 154 (T): H 8.004 8.004 7.870 0.134 RESID 155 (Q): N 124.500 124.500 120.996 3.504 RESID 155 (Q): C 179.200 179.200 177.998 1.202 RESID 155 (Q): CA 59.710 59.710 58.331 1.379 RESID 155 (Q): CB 28.620 28.620 28.350 0.270 RESID 155 (Q): H 8.230 8.230 7.903 0.327 RESID 156 (L): C 180.900 180.900 179.261 1.639 RESID 156 (L): CA 57.540 57.540 56.917 0.623 RESID 156 (L): CB 41.710 41.710 41.838 -0.128 RESID 157 (G): N 112.800 112.800 107.003 5.797 RESID 157 (G): C 174.500 174.500 175.079 -0.579 RESID 157 (G): CA 48.300 48.300 46.511 1.789 RESID 157 (G): H 9.216 9.216 7.996 1.220 RESID 158 (E): N 123.500 123.500 118.676 4.824 RESID 158 (E): C 177.800 177.800 177.145 0.655 RESID 158 (E): CA 59.120 59.120 57.867 1.253 RESID 158 (E): CB 29.700 29.700 29.378 0.322 RESID 158 (E): H 7.480 7.480 7.459 0.021 RESID 160 (T): C 178.300 178.300 175.993 2.307 RESID 160 (T): CA 61.930 61.930 63.111 -1.181 RESID 160 (T): CB 71.830 71.830 69.161 2.669 RESID 161 (G): N 113.600 113.600 113.898 -0.298 RESID 161 (G): C 174.600 174.600 174.153 0.447 RESID 161 (G): CA 48.130 48.130 46.879 1.251 RESID 161 (G): H 8.114 8.114 8.990 -0.876 RESID 162 (H): N 121.000 121.000 116.086 4.914 RESID 162 (H): C 174.000 174.000 176.180 -2.180 RESID 162 (H): CA 55.370 55.370 55.877 -0.507 RESID 162 (H): CB 28.280 28.280 31.272 -2.992 RESID 162 (H): H 8.506 8.506 7.835 0.671 RESID 163 (E): N 123.900 123.900 122.116 1.784 RESID 163 (E): C 180.800 180.800 178.466 2.334 RESID 163 (E): CA 61.160 61.160 59.718 1.442 RESID 163 (E): CB 28.720 28.720 29.160 -0.440 RESID 163 (E): H 10.300 10.300 8.752 1.548 RESID 164 (K): N 120.600 120.600 119.508 1.092 RESID 164 (K): C 178.700 178.700 178.710 -0.010 RESID 164 (K): CA 59.590 59.590 59.949 -0.359 RESID 164 (K): CB 32.280 32.280 32.092 0.188 RESID 164 (K): H 8.789 8.789 8.412 0.377 RESID 165 (Q): N 119.500 119.500 118.144 1.356 RESID 165 (Q): C 178.800 178.800 178.392 0.408 RESID 165 (Q): CA 60.870 60.870 58.753 2.117 RESID 165 (Q): CB 28.120 28.120 28.275 -0.155 RESID 165 (Q): H 8.058 8.058 8.108 -0.050 RESID 166 (A): N 121.100 121.100 122.437 -1.337 RESID 166 (A): C 178.000 178.000 179.424 -1.424 RESID 166 (A): CA 56.280 56.280 54.959 1.321 RESID 166 (A): CB 18.300 18.300 18.073 0.227 RESID 166 (A): H 7.873 7.873 7.999 -0.126 RESID 167 (A): N 117.900 117.900 120.941 -3.041 RESID 167 (A): C 181.500 181.500 179.613 1.887 RESID 167 (A): CA 55.100 55.100 55.261 -0.162 RESID 167 (A): CB 17.860 17.860 18.168 -0.308 RESID 167 (A): H 7.642 7.642 8.751 -1.109 RESID 168 (E): N 120.100 120.100 118.564 1.536 RESID 168 (E): C 179.600 179.600 179.131 0.469 RESID 168 (E): CA 59.610 59.610 59.614 -0.004 RESID 168 (E): CB 29.790 29.790 29.337 0.453 RESID 168 (E): H 8.230 8.230 7.904 0.326 RESID 170 (I): C 177.700 177.700 177.700 0.000 RESID 170 (I): CA 66.880 66.880 65.308 1.572 RESID 170 (I): CB 39.310 39.310 37.954 1.356 RESID 171 (A): N 120.700 120.700 123.181 -2.481 RESID 171 (A): C 181.200 181.200 179.843 1.357 RESID 171 (A): CA 55.290 55.290 55.639 -0.349 RESID 171 (A): CB 18.260 18.260 18.115 0.145 RESID 171 (A): H 8.000 8.000 8.782 -0.782 RESID 172 (Q): N 120.600 120.600 118.015 2.585 RESID 172 (Q): C 179.200 179.200 178.581 0.619 RESID 172 (Q): CA 59.210 59.210 58.492 0.718 RESID 172 (Q): CB 28.340 28.340 28.601 -0.261 RESID 172 (Q): H 8.585 8.585 7.946 0.639 RESID 173 (F): N 122.500 122.500 122.647 -0.147 RESID 173 (F): C 176.400 176.400 177.409 -1.009 RESID 173 (F): CA 62.710 62.710 61.124 1.586 RESID 173 (F): CB 39.490 39.490 39.126 0.364 RESID 173 (F): H 8.457 8.457 8.774 -0.317 RESID 174 (D): N 121.000 121.000 120.097 0.903 RESID 174 (D): C 180.300 180.300 178.889 1.411 RESID 174 (D): CA 58.040 58.040 57.502 0.539 RESID 174 (D): CB 40.160 40.160 40.252 -0.092 RESID 174 (D): H 8.771 8.771 9.043 -0.272 RESID 175 (K): N 121.300 121.300 120.214 1.086 RESID 175 (K): C 179.800 179.800 178.634 1.166 RESID 175 (K): CA 59.630 59.630 59.639 -0.009 RESID 175 (K): CB 32.710 32.710 32.394 0.316 RESID 175 (K): H 8.125 8.125 8.175 -0.050 RESID 176 (Q): N 121.600 121.600 119.502 2.098 RESID 176 (Q): C 179.100 179.100 178.336 0.764 RESID 176 (Q): CA 58.460 58.460 58.939 -0.479 RESID 176 (Q): CB 27.990 27.990 28.523 -0.533 RESID 176 (Q): H 8.164 8.164 7.817 0.347 RESID 177 (L): N 125.600 125.600 119.597 6.003 RESID 177 (L): C 178.400 178.400 178.672 -0.272 RESID 177 (L): CA 59.890 59.890 57.241 2.649 RESID 177 (L): CB 41.200 41.200 41.363 -0.163 RESID 177 (L): H 8.944 8.944 7.737 1.207 RESID 178 (A): N 121.500 121.500 122.559 -1.059 RESID 178 (A): C 180.600 180.600 179.235 1.365 RESID 178 (A): CA 55.390 55.390 55.195 0.195 RESID 178 (A): CB 17.970 17.970 17.882 0.088 RESID 178 (A): H 7.690 7.690 8.239 -0.549 RESID 179 (A): N 120.200 120.200 120.965 -0.765 RESID 179 (A): C 180.600 180.600 179.887 0.713 RESID 179 (A): CA 54.860 54.860 54.519 0.341 RESID 179 (A): CB 18.190 18.190 18.599 -0.409 RESID 179 (A): H 7.706 7.706 7.662 0.044 RESID 180 (A): N 121.800 121.800 121.839 -0.039 RESID 180 (A): C 179.200 179.200 179.101 0.099 RESID 180 (A): CA 55.490 55.490 54.740 0.750 RESID 180 (A): CB 17.920 17.920 18.183 -0.263 RESID 180 (A): H 8.171 8.171 7.996 0.175 RESID 181 (K): N 118.100 118.100 117.962 0.138 RESID 181 (K): C 178.000 178.000 178.076 -0.076 RESID 181 (K): CA 59.830 59.830 59.220 0.610 RESID 181 (K): CB 33.340 33.340 32.637 0.703 RESID 181 (K): H 8.342 8.342 8.317 0.025 RESID 182 (E): N 114.400 114.400 116.550 -2.150 RESID 182 (E): C 177.300 177.300 177.445 -0.145 RESID 182 (E): CA 57.870 57.870 57.122 0.748 RESID 182 (E): CB 30.320 30.320 29.246 1.074 RESID 182 (E): H 7.153 7.153 7.742 -0.589 RESID 183 (Q): N 116.700 116.700 117.388 -0.688 RESID 183 (Q): C 177.200 177.200 176.174 1.026 RESID 183 (Q): CA 57.060 57.060 56.824 0.236 RESID 183 (Q): CB 31.550 31.550 31.136 0.414 RESID 183 (Q): H 7.458 7.458 7.642 -0.184 RESID 184 (I): N 117.800 117.800 115.874 1.926 RESID 184 (I): C 175.200 175.200 174.243 0.957 RESID 184 (I): CA 63.000 63.000 59.754 3.246 RESID 184 (I): CB 40.300 40.300 39.953 0.347 RESID 184 (I): H 7.723 7.723 7.431 0.292 RESID 185 (K): N 127.700 127.700 122.986 4.714 RESID 185 (K): C 175.600 175.600 175.627 -0.027 RESID 185 (K): CA 54.550 54.550 55.120 -0.570 RESID 185 (K): CB 31.600 31.600 34.506 -2.906 RESID 185 (K): H 8.743 8.743 7.914 0.829 RESID 186 (L): N 124.700 124.700 125.739 -1.039 RESID 186 (L): C 175.700 175.700 175.905 -0.205 RESID 186 (L): CA 54.240 54.240 51.877 2.363 RESID 186 (L): CB 41.050 41.050 40.677 0.373 RESID 186 (L): H 8.051 8.051 8.481 -0.430 RESID 188 (P): C 174.800 174.800 176.258 -1.458 RESID 188 (P): CA 65.060 65.060 63.586 1.474 RESID 188 (P): CB 32.670 32.670 31.654 1.016 RESID 189 (Q): N 121.300 121.300 121.083 0.217 RESID 189 (Q): C 174.800 174.800 172.927 1.873 RESID 189 (Q): CA 52.330 52.330 54.724 -2.394 RESID 189 (Q): CB 31.350 31.350 30.390 0.960 RESID 189 (Q): H 8.061 8.061 8.225 -0.164 RESID 190 (P): C 175.500 175.500 175.553 -0.053 RESID 190 (P): CA 62.820 62.820 62.465 0.355 RESID 190 (P): CB 35.450 35.450 32.820 2.630 RESID 191 (V): N 112.600 112.600 121.603 -9.003 RESID 191 (V): C 174.300 174.300 173.970 0.330 RESID 191 (V): CA 59.740 59.740 59.519 0.221 RESID 191 (V): CB 35.030 35.030 34.692 0.338 RESID 191 (V): H 9.214 9.214 8.522 0.692 RESID 192 (T): N 120.700 120.700 113.334 7.366 RESID 192 (T): C 172.300 172.300 172.080 0.220 RESID 192 (T): CA 63.030 63.030 59.523 3.507 RESID 192 (T): CB 71.550 71.550 71.254 0.296 RESID 192 (T): H 8.462 8.462 8.324 0.138 RESID 193 (A): N 132.900 132.900 122.992 9.908 RESID 193 (A): C 175.400 175.400 175.400 0.000 RESID 193 (A): CA 50.570 50.570 51.128 -0.558 RESID 193 (A): CB 21.140 21.140 21.430 -0.290 RESID 193 (A): H 10.170 10.170 8.562 1.609 RESID 194 (I): N 115.400 115.400 117.485 -2.085 RESID 194 (I): C 176.600 176.600 173.700 2.900 RESID 194 (I): CA 59.540 59.540 60.000 -0.460 RESID 194 (I): CB 43.930 43.930 42.120 1.810 RESID 194 (I): H 9.269 9.269 8.521 0.748 RESID 195 (V): N 118.500 118.500 122.774 -4.274 RESID 195 (V): C 176.200 176.200 174.071 2.129 RESID 195 (V): CA 63.190 63.190 61.385 1.805 RESID 195 (V): CB 34.870 34.870 34.726 0.144 RESID 195 (V): H 8.484 8.484 8.632 -0.148 RESID 196 (Y): N 132.200 132.200 129.487 2.713 RESID 196 (Y): C 174.700 174.700 174.153 0.547 RESID 196 (Y): CA 57.000 57.000 57.413 -0.413 RESID 196 (Y): CB 41.250 41.250 40.202 1.048 RESID 196 (Y): H 9.989 9.989 8.984 1.005 RESID 197 (T): N 124.900 124.900 123.413 1.487 RESID 197 (T): C 174.300 174.300 173.367 0.933 RESID 197 (T): CA 60.740 60.740 60.630 0.111 RESID 197 (T): CB 68.560 68.560 71.593 -3.033 RESID 197 (T): H 8.262 8.262 7.837 0.425 RESID 198 (A): N 130.500 130.500 130.905 -0.405 RESID 198 (A): C 180.400 180.400 179.076 1.324 RESID 198 (A): CA 55.510 55.510 54.293 1.217 RESID 198 (A): CB 18.480 18.480 18.375 0.105 RESID 198 (A): H 8.524 8.524 8.834 -0.310 RESID 199 (A): N 118.700 118.700 123.358 -4.658 RESID 199 (A): C 177.700 177.700 178.745 -1.045 RESID 199 (A): CA 54.350 54.350 54.827 -0.477 RESID 199 (A): CB 18.350 18.350 18.016 0.334 RESID 199 (A): H 8.578 8.578 8.259 0.319 RESID 200 (A): N 116.700 116.700 120.558 -3.858 RESID 200 (A): C 176.600 176.600 177.222 -0.622 RESID 200 (A): CA 51.290 51.290 52.119 -0.829 RESID 200 (A): CB 20.180 20.180 18.845 1.335 RESID 200 (A): H 6.638 6.638 8.080 -1.442 RESID 201 (H): N 116.900 116.900 116.342 0.558 RESID 201 (H): C 172.900 172.900 173.395 -0.495 RESID 201 (H): CA 56.710 56.710 56.316 0.394 RESID 201 (H): CB 27.820 27.820 28.240 -0.420 RESID 201 (H): H 7.569 7.569 7.716 -0.147 RESID 202 (S): N 110.500 110.500 114.485 -3.985 RESID 202 (S): C 171.500 171.500 171.458 0.042 RESID 202 (S): CA 56.530 56.530 57.602 -1.072 RESID 202 (S): CB 66.170 66.170 66.311 -0.141 RESID 202 (S): H 7.109 7.109 7.808 -0.699 RESID 203 (A): N 120.900 120.900 123.876 -2.976 RESID 203 (A): C 174.900 174.900 175.292 -0.392 RESID 203 (A): CA 50.890 50.890 51.419 -0.529 RESID 203 (A): CB 24.510 24.510 22.204 2.306 RESID 203 (A): H 8.618 8.618 8.309 0.309 RESID 204 (N): N 118.900 118.900 118.884 0.016 RESID 204 (N): C 173.300 173.300 173.459 -0.159 RESID 204 (N): CA 51.520 51.520 52.072 -0.552 RESID 204 (N): CB 40.080 40.080 42.162 -2.082 RESID 204 (N): H 8.333 8.333 8.220 0.113 RESID 205 (L): N 127.200 127.200 121.741 5.459 RESID 205 (L): C 175.700 175.700 175.564 0.136 RESID 205 (L): CA 54.920 54.920 54.068 0.852 RESID 205 (L): CB 44.180 44.180 42.642 1.538 RESID 205 (L): H 9.265 9.265 7.612 1.653 RESID 206 (W): N 125.300 125.300 123.661 1.639 RESID 206 (W): C 177.100 177.100 176.447 0.653 RESID 206 (W): CA 56.630 56.630 57.373 -0.743 RESID 206 (W): CB 29.690 29.690 30.822 -1.131 RESID 206 (W): H 8.560 8.560 7.913 0.647 RESID 207 (T): N 112.000 112.000 110.193 1.807 RESID 207 (T): C 176.100 176.100 173.280 2.820 RESID 207 (T): CA 60.120 60.120 59.231 0.889 RESID 207 (T): CB 68.540 68.540 70.395 -1.855 RESID 207 (T): H 8.029 8.029 8.137 -0.108 RESID 208 (P): C 176.000 176.000 176.852 -0.852 RESID 208 (P): CA 66.120 66.120 65.386 0.734 RESID 208 (P): CB 31.950 31.950 32.167 -0.217 RESID 209 (E): N 112.300 112.300 115.060 -2.760 RESID 209 (E): C 177.100 177.100 176.807 0.293 RESID 209 (E): CA 57.280 57.280 57.216 0.064 RESID 209 (E): CB 29.760 29.760 30.147 -0.387 RESID 209 (E): H 7.612 7.612 7.975 -0.363 RESID 210 (S): N 115.800 115.800 115.082 0.718 RESID 210 (S): C 173.900 173.900 175.527 -1.627 RESID 210 (S): CA 58.060 58.060 59.158 -1.098 RESID 210 (S): CB 67.320 67.320 64.473 2.847 RESID 210 (S): H 7.654 7.654 7.429 0.225 RESID 211 (A): N 125.200 125.200 127.400 -2.200 RESID 211 (A): C 180.600 180.600 179.852 0.748 RESID 211 (A): CA 55.410 55.410 55.319 0.091 RESID 211 (A): CB 18.530 18.530 18.758 -0.228 RESID 211 (A): H 8.874 8.874 9.020 -0.146 RESID 212 (Q): N 119.200 119.200 118.638 0.562 RESID 212 (Q): C 177.100 177.100 178.018 -0.918 RESID 212 (Q): CA 61.410 61.410 58.973 2.437 RESID 212 (Q): CB 27.090 27.090 27.418 -0.328 RESID 212 (Q): H 8.493 8.493 8.476 0.017 RESID 213 (G): N 107.500 107.500 107.643 -0.143 RESID 213 (G): C 175.400 175.400 176.316 -0.916 RESID 213 (G): CA 47.520 47.520 46.825 0.695 RESID 213 (G): H 8.053 8.053 8.303 -0.250 RESID 214 (Q): N 120.700 120.700 121.476 -0.776 RESID 214 (Q): C 179.000 179.000 178.389 0.611 RESID 214 (Q): CA 59.150 59.150 58.862 0.288 RESID 214 (Q): CB 29.110 29.110 28.695 0.415 RESID 214 (Q): H 8.501 8.501 8.091 0.410 RESID 215 (M): N 119.200 119.200 120.623 -1.423 RESID 215 (M): C 177.800 177.800 178.165 -0.365 RESID 215 (M): CA 59.760 59.760 59.642 0.117 RESID 215 (M): CB 32.050 32.050 32.842 -0.792 RESID 215 (M): H 7.878 7.878 8.197 -0.319 RESID 216 (L): N 115.800 115.800 118.812 -3.012 RESID 216 (L): C 179.900 179.900 179.031 0.869 RESID 216 (L): CA 58.160 58.160 57.648 0.513 RESID 216 (L): CB 40.010 40.010 41.459 -1.449 RESID 216 (L): H 7.517 7.517 7.969 -0.452 RESID 217 (E): N 121.000 121.000 119.670 1.330 RESID 217 (E): C 182.200 182.200 179.258 2.942 RESID 217 (E): CA 60.210 60.210 58.929 1.281 RESID 217 (E): CB 29.150 29.150 29.420 -0.270 RESID 217 (E): H 8.377 8.377 8.176 0.201 RESID 218 (Q): N 122.300 122.300 117.137 5.163 RESID 218 (Q): C 178.100 178.100 178.896 -0.796 RESID 218 (Q): CA 59.220 59.220 58.275 0.945 RESID 218 (Q): CB 28.850 28.850 29.109 -0.259 RESID 218 (Q): H 8.464 8.464 7.916 0.548 RESID 219 (L): N 118.400 118.400 117.837 0.563 RESID 219 (L): C 175.200 175.200 177.432 -2.232 RESID 219 (L): CA 55.880 55.880 57.256 -1.376 RESID 219 (L): CB 44.330 44.330 42.876 1.454 RESID 219 (L): H 7.433 7.433 7.761 -0.328 RESID 220 (G): N 104.600 104.600 102.694 1.906 RESID 220 (G): C 174.700 174.700 172.919 1.781 RESID 220 (G): CA 44.750 44.750 44.691 0.059 RESID 220 (G): H 7.777 7.777 8.166 -0.389 RESID 221 (F): N 119.100 119.100 118.910 0.190 RESID 221 (F): C 175.200 175.200 174.328 0.872 RESID 221 (F): CA 57.900 57.900 55.971 1.929 RESID 221 (F): CB 38.930 38.930 42.792 -3.862 RESID 221 (F): H 8.001 8.001 7.772 0.229 RESID 222 (T): N 117.600 117.600 115.956 1.644 RESID 222 (T): C 173.900 173.900 173.380 0.520 RESID 222 (T): CA 61.790 61.790 61.175 0.615 RESID 222 (T): CB 71.360 71.360 69.775 1.585 RESID 222 (T): H 8.961 8.961 8.563 0.398 RESID 223 (L): N 128.300 128.300 127.072 1.228 RESID 223 (L): C 178.300 178.300 176.646 1.654 RESID 223 (L): CA 54.760 54.760 53.403 1.357 RESID 223 (L): CB 41.600 41.600 42.756 -1.156 RESID 223 (L): H 9.269 9.269 8.204 1.065 RESID 224 (A): N 126.800 126.800 128.053 -1.253 RESID 224 (A): C 177.400 177.400 175.858 1.542 RESID 224 (A): CA 52.460 52.460 50.986 1.474 RESID 224 (A): CB 18.650 18.650 20.828 -2.178 RESID 224 (A): H 9.077 9.077 8.107 0.970 RESID 225 (K): N 123.400 123.400 121.225 2.175 RESID 225 (K): C 176.800 176.800 176.193 0.607 RESID 225 (K): CA 55.600 55.600 55.583 0.017 RESID 225 (K): CB 33.080 33.080 32.895 0.185 RESID 225 (K): H 8.601 8.601 8.365 0.236 RESID 226 (L): N 126.200 126.200 128.018 -1.818 RESID 226 (L): C 175.500 175.500 175.607 -0.107 RESID 226 (L): CA 53.420 53.420 53.948 -0.528 RESID 226 (L): CB 41.720 41.720 41.250 0.470 RESID 226 (L): H 8.634 8.634 8.519 0.115 RESID 227 (P): C 176.800 176.800 177.069 -0.269 RESID 227 (P): CA 62.860 62.860 62.889 -0.029 RESID 227 (P): CB 32.360 32.360 32.188 0.172 RESID 228 (A): N 124.900 124.900 124.828 0.072 RESID 228 (A): C 179.500 179.500 178.474 1.026 RESID 228 (A): CA 54.120 54.120 53.407 0.713 RESID 228 (A): CB 18.710 18.710 18.701 0.009 RESID 228 (A): H 8.412 8.412 8.511 -0.099 RESID 229 (G): N 107.700 107.700 107.484 0.216 RESID 229 (G): C 175.000 175.000 175.981 -0.981 RESID 229 (G): CA 46.040 46.040 45.428 0.612 RESID 229 (G): H 8.565 8.565 8.093 0.472 RESID 230 (L): N 121.100 121.100 122.330 -1.230 RESID 230 (L): C 176.900 176.900 178.341 -1.441 RESID 230 (L): CA 55.620 55.620 55.500 0.120 RESID 230 (L): CB 42.630 42.630 41.690 0.940 RESID 230 (L): H 7.454 7.454 7.878 -0.424 RESID 231 (N): N 119.400 119.400 119.863 -0.463 RESID 231 (N): C 175.300 175.300 175.896 -0.596 RESID 231 (N): CA 53.650 53.650 56.111 -2.461 RESID 231 (N): CB 38.940 38.940 37.979 0.961 RESID 231 (N): H 8.211 8.211 8.024 0.187 RESID 232 (A): N 124.500 124.500 119.524 4.976 RESID 232 (A): C 178.100 178.100 178.028 0.072 RESID 232 (A): CA 53.110 53.110 51.690 1.420 RESID 232 (A): CB 19.340 19.340 17.998 1.342 RESID 232 (A): H 8.103 8.103 7.940 0.163 RESID 233 (S): N 115.200 115.200 115.272 -0.072 RESID 233 (S): C 175.100 175.100 175.582 -0.482 RESID 233 (S): CA 59.280 59.280 61.043 -1.763 RESID 233 (S): CB 64.280 64.280 63.338 0.942 RESID 233 (S): H 8.169 8.169 8.438 -0.269 RESID 234 (Q): N 122.100 122.100 120.567 1.533 RESID 234 (Q): C 176.400 176.400 175.705 0.695 RESID 234 (Q): CA 56.240 56.240 56.069 0.171 RESID 234 (Q): CB 29.490 29.490 30.794 -1.304 RESID 234 (Q): H 8.230 8.230 7.774 0.456 RESID 235 (S): N 117.100 117.100 118.094 -0.994 RESID 235 (S): C 174.900 174.900 174.666 0.234 RESID 235 (S): CA 58.910 58.910 58.901 0.009 RESID 235 (S): CB 64.510 64.510 62.889 1.621 RESID 235 (S): H 8.229 8.229 8.438 -0.209 RESID 236 (Q): N 122.300 122.300 127.129 -4.829 RESID 236 (Q): C 176.700 176.700 175.441 1.259 RESID 236 (Q): CA 56.610 56.610 55.505 1.105 RESID 236 (Q): CB 29.280 29.280 27.627 1.653 RESID 236 (Q): H 8.372 8.372 8.859 -0.487 RESID 237 (G): N 110.400 110.400 109.039 1.361 RESID 237 (G): C 174.100 174.100 172.962 1.138 RESID 237 (G): CA 45.720 45.720 45.484 0.235 RESID 237 (G): H 8.381 8.381 7.584 0.797 RESID 238 (K): N 120.500 120.500 121.461 -0.961 RESID 238 (K): C 176.600 176.600 175.479 1.121 RESID 238 (K): CA 56.490 56.490 56.033 0.457 RESID 238 (K): CB 33.320 33.320 32.789 0.531 RESID 238 (K): H 7.968 7.968 8.357 -0.389 RESID 239 (R): N 120.900 120.900 124.999 -4.099 RESID 239 (R): CA 56.130 56.130 55.952 0.178 RESID 239 (R): CB 31.560 31.560 30.909 0.651 RESID 239 (R): H 8.159 8.159 8.510 -0.351 RESID 240 (H): C 174.800 174.800 176.526 -1.726 RESID 240 (H): CA 55.740 55.740 58.650 -2.910 RESID 240 (H): CB 29.760 29.760 30.073 -0.313 RESID 241 (D): N 119.800 119.800 119.223 0.577 RESID 241 (D): C 174.700 174.700 176.276 -1.576 RESID 241 (D): CA 55.500 55.500 55.992 -0.492 RESID 241 (D): CB 40.550 40.550 41.217 -0.667 RESID 241 (D): H 9.052 9.052 8.390 0.662 RESID 242 (I): N 115.200 115.200 114.988 0.212 RESID 242 (I): C 175.600 175.600 174.389 1.211 RESID 242 (I): CA 59.090 59.090 59.401 -0.311 RESID 242 (I): CB 43.670 43.670 40.917 2.753 RESID 242 (I): H 7.087 7.087 7.411 -0.324 RESID 243 (I): N 125.100 125.100 126.101 -1.001 RESID 243 (I): C 175.300 175.300 174.266 1.034 RESID 243 (I): CA 60.340 60.340 60.634 -0.294 RESID 243 (I): CB 41.290 41.290 38.384 2.906 RESID 243 (I): H 8.746 8.746 8.521 0.225 RESID 244 (Q): N 128.400 128.400 127.539 0.861 RESID 244 (Q): C 175.300 175.300 174.255 1.045 RESID 244 (Q): CA 56.460 56.460 54.931 1.529 RESID 244 (Q): CB 29.800 29.800 29.778 0.022 RESID 244 (Q): H 8.768 8.768 8.598 0.170 RESID 245 (L): N 125.500 125.500 123.515 1.985 RESID 245 (L): C 176.200 176.200 176.606 -0.406 RESID 245 (L): CA 53.790 53.790 53.110 0.680 RESID 245 (L): CB 45.100 45.100 44.851 0.249 RESID 245 (L): H 8.640 8.640 8.341 0.299 RESID 246 (G): N 109.700 109.700 105.055 4.645 RESID 246 (G): C 174.200 174.200 174.330 -0.130 RESID 246 (G): CA 44.590 44.590 45.032 -0.442 RESID 246 (G): H 8.424 8.424 8.444 -0.020 RESID 247 (G): N 108.500 108.500 108.651 -0.151 RESID 247 (G): C 176.800 176.800 174.975 1.825 RESID 247 (G): CA 47.500 47.500 44.353 3.147 RESID 247 (G): H 8.666 8.666 7.740 0.926 RESID 248 (E): N 123.700 123.700 121.118 2.582 RESID 248 (E): C 177.300 177.300 176.506 0.794 RESID 248 (E): CA 58.560 58.560 57.499 1.061 RESID 248 (E): CB 29.330 29.330 29.189 0.141 RESID 248 (E): H 9.265 9.265 8.812 0.453 RESID 249 (N): N 116.700 116.700 116.537 0.163 RESID 249 (N): C 175.500 175.500 176.002 -0.502 RESID 249 (N): CA 53.490 53.490 53.602 -0.112 RESID 249 (N): CB 39.390 39.390 38.792 0.598 RESID 249 (N): H 7.963 7.963 7.696 0.267 RESID 250 (L): N 121.100 121.100 119.939 1.161 RESID 250 (L): C 177.100 177.100 178.094 -0.994 RESID 250 (L): CA 58.810 58.810 57.017 1.793 RESID 250 (L): CB 42.220 42.220 41.470 0.750 RESID 250 (L): H 7.104 7.104 7.790 -0.686 RESID 251 (A): N 117.400 117.400 122.416 -5.016 RESID 251 (A): C 179.500 179.500 178.165 1.335 RESID 251 (A): CA 55.340 55.340 54.655 0.685 RESID 251 (A): CB 17.960 17.960 18.390 -0.430 RESID 251 (A): H 8.141 8.141 8.314 -0.173 RESID 252 (A): N 117.400 117.400 118.610 -1.210 RESID 252 (A): C 179.100 179.100 178.324 0.776 RESID 252 (A): CA 53.990 53.990 52.391 1.599 RESID 252 (A): CB 18.970 18.970 18.964 0.006 RESID 252 (A): H 7.375 7.375 8.409 -1.034 RESID 253 (G): N 100.600 100.600 107.907 -7.307 RESID 253 (G): C 172.700 172.700 174.802 -2.102 RESID 253 (G): CA 45.380 45.380 45.021 0.359 RESID 253 (G): H 7.589 7.589 7.562 0.027 RESID 254 (L): N 124.800 124.800 122.835 1.965 RESID 254 (L): C 175.300 175.300 177.581 -2.281 RESID 254 (L): CA 53.020 53.020 54.865 -1.845 RESID 254 (L): CB 39.090 39.090 42.109 -3.019 RESID 254 (L): H 7.202 7.202 7.784 -0.582 RESID 255 (N): N 113.800 113.800 121.486 -7.686 RESID 255 (N): C 176.600 176.600 176.257 0.343 RESID 255 (N): CA 53.420 53.420 53.976 -0.556 RESID 255 (N): CB 37.600 37.600 38.820 -1.220 RESID 255 (N): H 7.701 7.701 8.841 -1.140 RESID 256 (G): N 109.100 109.100 106.629 2.471 RESID 256 (G): C 172.200 172.200 174.571 -2.371 RESID 256 (G): CA 45.790 45.790 45.340 0.450 RESID 256 (G): H 7.856 7.856 8.554 -0.698 RESID 257 (E): N 120.100 120.100 118.715 1.385 RESID 257 (E): C 176.900 176.900 175.379 1.521 RESID 257 (E): CA 57.880 57.880 56.639 1.241 RESID 257 (E): CB 29.760 29.760 30.477 -0.718 RESID 257 (E): H 8.443 8.443 8.610 -0.167 RESID 258 (S): N 107.500 107.500 113.984 -6.484 RESID 258 (S): C 172.500 172.500 172.523 -0.023 RESID 258 (S): CA 58.010 58.010 58.778 -0.768 RESID 258 (S): CB 66.360 66.360 63.511 2.849 RESID 258 (S): H 7.176 7.176 8.022 -0.846 RESID 259 (L): N 124.900 124.900 127.820 -2.920 RESID 259 (L): C 173.900 173.900 176.369 -2.469 RESID 259 (L): CA 53.630 53.630 54.424 -0.794 RESID 259 (L): CB 46.240 46.240 42.231 4.008 RESID 259 (L): H 8.969 8.969 8.027 0.942 RESID 260 (F): N 123.700 123.700 123.065 0.635 RESID 260 (F): C 174.200 174.200 176.028 -1.828 RESID 260 (F): CA 56.460 56.460 54.972 1.488 RESID 260 (F): CB 41.560 41.560 40.443 1.117 RESID 260 (F): H 9.295 9.295 8.147 1.148 RESID 261 (L): N 123.900 123.900 120.177 3.723 RESID 261 (L): C 177.600 177.600 177.088 0.512 RESID 261 (L): CA 54.010 54.010 53.185 0.825 RESID 261 (L): CB 41.470 41.470 45.511 -4.042 RESID 261 (L): H 9.034 9.034 8.172 0.862 RESID 262 (F): N 123.800 123.800 122.269 1.531 RESID 262 (F): C 175.500 175.500 175.806 -0.306 RESID 262 (F): CA 58.850 58.850 56.968 1.882 RESID 262 (F): CB 39.930 39.930 38.497 1.433 RESID 262 (F): H 9.338 9.338 9.111 0.227 RESID 263 (A): N 121.900 121.900 124.114 -2.214 RESID 263 (A): C 175.300 175.300 177.028 -1.728 RESID 263 (A): CA 53.630 53.630 52.658 0.972 RESID 263 (A): CB 19.700 19.700 16.810 2.890 RESID 263 (A): H 8.902 8.902 8.285 0.617 RESID 264 (G): N 104.500 104.500 111.568 -7.068 RESID 264 (G): C 171.100 171.100 172.728 -1.628 RESID 264 (G): CA 45.540 45.540 45.061 0.479 RESID 264 (G): H 6.746 6.746 7.885 -1.139 RESID 265 (D): N 122.300 122.300 122.686 -0.386 RESID 265 (D): C 177.300 177.300 177.260 0.040 RESID 265 (D): CA 51.660 51.660 52.765 -1.105 RESID 265 (D): CB 42.840 42.840 42.270 0.570 RESID 265 (D): H 9.052 9.052 8.118 0.934 RESID 266 (Q): N 118.400 118.400 119.595 -1.195 RESID 266 (Q): C 177.600 177.600 177.458 0.142 RESID 266 (Q): CA 58.620 58.620 59.060 -0.440 RESID 266 (Q): CB 28.490 28.490 28.648 -0.158 RESID 266 (Q): H 8.277 8.277 8.604 -0.327 RESID 267 (K): N 117.700 117.700 118.769 -1.069 RESID 267 (K): C 180.400 180.400 178.084 2.316 RESID 267 (K): CA 59.390 59.390 59.547 -0.157 RESID 267 (K): CB 31.440 31.440 31.787 -0.347 RESID 267 (K): H 7.879 7.879 7.923 -0.044 RESID 268 (D): N 121.600 121.600 119.658 1.942 RESID 268 (D): C 177.400 177.400 178.338 -0.938 RESID 268 (D): CA 57.980 57.980 56.974 1.006 RESID 268 (D): CB 41.550 41.550 40.251 1.299 RESID 268 (D): H 7.640 7.640 8.110 -0.470 RESID 269 (A): N 121.700 121.700 121.480 0.220 RESID 269 (A): C 179.000 179.000 178.421 0.579 RESID 269 (A): CA 55.640 55.640 54.925 0.715 RESID 269 (A): CB 17.490 17.490 18.192 -0.702 RESID 269 (A): H 7.370 7.370 7.621 -0.251 RESID 270 (D): N 118.200 118.200 117.884 0.316 RESID 270 (D): C 179.300 179.300 176.518 2.782 RESID 270 (D): CA 57.570 57.570 56.320 1.250 RESID 270 (D): CB 39.860 39.860 40.252 -0.392 RESID 270 (D): H 8.735 8.735 7.952 0.783 RESID 271 (A): N 122.900 122.900 119.873 3.027 RESID 271 (A): C 180.800 180.800 179.330 1.470 RESID 271 (A): CA 55.040 55.040 53.569 1.471 RESID 271 (A): CB 18.300 18.300 19.328 -1.028 RESID 271 (A): H 7.579 7.579 7.054 0.525 RESID 272 (I): N 0.000 0.000 120.454 -120.454 RESID 272 (I): C 178.300 178.300 176.955 1.345 RESID 272 (I): CA 63.880 63.880 64.651 -0.771 RESID 272 (I): CB 35.710 35.710 38.126 -2.416 RESID 272 (I): H 7.340 7.340 8.401 -1.061 RESID 273 (Y): N 116.300 116.300 116.990 -0.690 RESID 273 (Y): C 177.000 177.000 176.777 0.223 RESID 273 (Y): CA 61.100 61.100 58.288 2.812 RESID 273 (Y): CB 37.770 37.770 35.832 1.938 RESID 273 (Y): H 7.509 7.509 7.290 0.219 RESID 274 (A): N 118.600 118.600 121.845 -3.245 RESID 274 (A): C 177.200 177.200 177.184 0.016 RESID 274 (A): CA 52.030 52.030 53.005 -0.975 RESID 274 (A): CB 19.580 19.580 19.416 0.164 RESID 274 (A): H 7.495 7.495 7.838 -0.343 RESID 275 (N): N 119.900 119.900 118.243 1.657 RESID 275 (N): C 175.700 175.700 174.013 1.687 RESID 275 (N): CA 51.030 51.030 51.350 -0.320 RESID 275 (N): CB 38.590 38.590 37.032 1.558 RESID 275 (N): H 7.200 7.200 7.951 -0.751 RESID 276 (P): C 178.900 178.900 178.497 0.403 RESID 276 (P): CA 65.190 65.190 65.471 -0.281 RESID 276 (P): CB 32.440 32.440 32.039 0.401 RESID 277 (L): N 116.700 116.700 117.406 -0.706 RESID 277 (L): C 178.000 178.000 178.904 -0.904 RESID 277 (L): CA 56.630 56.630 57.549 -0.919 RESID 277 (L): CB 41.720 41.720 41.505 0.215 RESID 277 (L): H 7.777 7.777 7.928 -0.151 RESID 278 (L): N 115.100 115.100 116.575 -1.475 RESID 278 (L): C 176.600 176.600 177.869 -1.269 RESID 278 (L): CA 53.200 53.200 54.934 -1.734 RESID 278 (L): CB 40.960 40.960 41.307 -0.347 RESID 278 (L): H 7.485 7.485 7.679 -0.194 RESID 279 (A): N 118.600 118.600 123.103 -4.503 RESID 279 (A): C 177.700 177.700 177.809 -0.109 RESID 279 (A): CA 55.090 55.090 54.371 0.719 RESID 279 (A): CB 19.710 19.710 18.604 1.106 RESID 279 (A): H 6.665 6.665 7.911 -1.246 RESID 280 (H): N 111.600 111.600 115.286 -3.686 RESID 280 (H): C 175.500 175.500 175.209 0.291 RESID 280 (H): CA 55.360 55.360 56.261 -0.901 RESID 280 (H): CB 29.540 29.540 28.636 0.904 RESID 280 (H): H 8.337 8.337 8.193 0.144 RESID 281 (L): N 124.100 124.100 122.505 1.595 RESID 281 (L): C 176.300 176.300 175.870 0.430 RESID 281 (L): CA 53.330 53.330 52.968 0.362 RESID 281 (L): CB 40.490 40.490 41.950 -1.460 RESID 281 (L): H 7.289 7.289 7.445 -0.156 RESID 282 (P): C 178.200 178.200 178.380 -0.180 RESID 282 (P): CA 66.050 66.050 65.680 0.370 RESID 282 (P): CB 32.150 32.150 31.726 0.424 RESID 283 (A): N 116.000 116.000 119.220 -3.220 RESID 283 (A): C 179.000 179.000 179.835 -0.835 RESID 283 (A): CA 55.630 55.630 55.193 0.437 RESID 283 (A): CB 19.490 19.490 18.182 1.308 RESID 283 (A): H 7.969 7.969 8.427 -0.458 RESID 284 (V): N 115.200 115.200 118.486 -3.286 RESID 284 (V): C 180.000 180.000 178.928 1.072 RESID 284 (V): CA 65.640 65.640 65.891 -0.251 RESID 284 (V): CB 32.560 32.560 30.824 1.736 RESID 284 (V): H 6.557 6.557 7.680 -1.123 RESID 285 (Q): N 121.200 121.200 120.433 0.767 RESID 285 (Q): C 178.000 178.000 177.657 0.343 RESID 285 (Q): CA 59.500 59.500 58.795 0.705 RESID 285 (Q): CB 29.080 29.080 28.610 0.470 RESID 285 (Q): H 8.581 8.581 7.810 0.771 RESID 286 (N): N 112.600 112.600 113.991 -1.391 RESID 286 (N): C 174.500 174.500 173.860 0.640 RESID 286 (N): CA 53.160 53.160 52.728 0.432 RESID 286 (N): CB 38.390 38.390 38.739 -0.349 RESID 286 (N): H 8.117 8.117 8.047 0.070 RESID 287 (K): N 118.500 118.500 115.908 2.592 RESID 287 (K): C 176.100 176.100 176.221 -0.121 RESID 287 (K): CA 57.540 57.540 57.305 0.235 RESID 287 (K): CB 28.570 28.570 29.544 -0.974 RESID 287 (K): H 7.724 7.724 7.686 0.038 RESID 288 (Q): N 119.700 119.700 117.150 2.550 RESID 288 (Q): C 173.700 173.700 174.072 -0.372 RESID 288 (Q): CA 52.970 52.970 54.833 -1.863 RESID 288 (Q): CB 28.640 28.640 28.968 -0.328 RESID 288 (Q): H 8.895 8.895 8.420 0.475 RESID 289 (V): N 119.200 119.200 118.607 0.593 RESID 289 (V): C 175.100 175.100 175.152 -0.052 RESID 289 (V): CA 61.600 61.600 61.123 0.477 RESID 289 (V): CB 32.610 32.610 33.998 -1.387 RESID 289 (V): H 6.246 6.246 6.909 -0.663 RESID 290 (Y): N 125.700 125.700 124.588 1.112 RESID 290 (Y): C 174.100 174.100 174.400 -0.300 RESID 290 (Y): CA 56.830 56.830 56.480 0.350 RESID 290 (Y): CB 40.950 40.950 42.716 -1.766 RESID 290 (Y): H 8.682 8.682 8.984 -0.302 RESID 291 (A): N 126.900 126.900 122.032 4.868 RESID 291 (A): C 178.300 178.300 176.726 1.574 RESID 291 (A): CA 51.560 51.560 50.393 1.167 RESID 291 (A): CB 19.670 19.670 21.243 -1.573 RESID 291 (A): H 9.057 9.057 8.650 0.407 RESID 292 (L): N 120.800 120.800 119.795 1.005 RESID 292 (L): C 175.500 175.500 176.225 -0.725 RESID 292 (L): CA 54.880 54.880 54.238 0.642 RESID 292 (L): CB 42.490 42.490 42.279 0.211 RESID 292 (L): H 8.342 8.342 8.928 -0.586 RESID 293 (G): N 107.500 107.500 103.842 3.658 RESID 293 (G): C 177.600 177.600 174.100 3.500 RESID 293 (G): CA 45.110 45.110 44.436 0.674 RESID 293 (G): H 7.973 7.973 7.384 0.589 RESID 294 (T): N 117.800 117.800 116.742 1.058 RESID 294 (T): C 176.400 176.400 176.016 0.384 RESID 294 (T): CA 65.260 65.260 65.173 0.087 RESID 294 (T): CB 68.310 68.310 69.161 -0.851 RESID 294 (T): H 8.808 8.808 8.573 0.235 RESID 295 (E): N 122.100 122.100 119.947 2.153 RESID 295 (E): C 177.700 177.700 176.593 1.107 RESID 295 (E): CA 58.540 58.540 58.317 0.223 RESID 295 (E): CB 29.010 29.010 28.776 0.234 RESID 295 (E): H 10.380 10.380 8.846 1.534 RESID 296 (T): N 103.000 103.000 108.649 -5.649 RESID 296 (T): C 173.600 173.600 174.345 -0.745 RESID 296 (T): CA 62.320 62.320 61.267 1.053 RESID 296 (T): CB 69.170 69.170 67.803 1.367 RESID 296 (T): H 7.062 7.062 7.914 -0.852 RESID 297 (F): N 121.500 121.500 123.010 -1.510 RESID 297 (F): C 174.500 174.500 175.877 -1.377 RESID 297 (F): CA 61.700 61.700 61.015 0.685 RESID 297 (F): CB 39.640 39.640 39.765 -0.125 RESID 297 (F): H 8.108 8.108 7.698 0.410 RESID 298 (R): N 116.800 116.800 119.782 -2.982 RESID 298 (R): C 176.000 176.000 175.109 0.891 RESID 298 (R): CA 54.160 54.160 55.793 -1.633 RESID 298 (R): CB 32.460 32.460 31.100 1.360 RESID 298 (R): H 7.552 7.552 8.257 -0.705 RESID 299 (L): N 125.500 125.500 126.418 -0.918 RESID 299 (L): C 174.800 174.800 174.618 0.182 RESID 299 (L): CA 54.300 54.300 53.988 0.312 RESID 299 (L): CB 41.670 41.670 43.978 -2.308 RESID 299 (L): H 8.903 8.903 8.408 0.495 RESID 300 (D): N 124.600 124.600 124.150 0.450 RESID 300 (D): C 173.400 173.400 175.598 -2.198 RESID 300 (D): CA 51.880 51.880 53.152 -1.272 RESID 300 (D): CB 43.230 43.230 42.499 0.730 RESID 300 (D): H 7.735 7.735 8.738 -1.003 RESID 301 (Y): N 118.100 118.100 121.398 -3.298 RESID 301 (Y): C 175.300 175.300 176.149 -0.849 RESID 301 (Y): CA 61.650 61.650 63.294 -1.644 RESID 301 (Y): CB 38.740 38.740 38.695 0.045 RESID 301 (Y): H 7.943 7.943 8.992 -1.049 RESID 302 (Y): N 112.300 112.300 115.444 -3.144 RESID 302 (Y): C 180.800 180.800 177.622 3.178 RESID 302 (Y): CA 61.970 61.970 60.909 1.061 RESID 302 (Y): CB 37.990 37.990 37.992 -0.002 RESID 302 (Y): H 7.309 7.309 8.111 -0.802 RESID 303 (S): N 119.100 119.100 115.747 3.353 RESID 303 (S): C 176.300 176.300 176.505 -0.205 RESID 303 (S): CA 60.690 60.690 61.521 -0.831 RESID 303 (S): CB 63.180 63.180 62.677 0.503 RESID 303 (S): H 9.411 9.411 9.435 -0.024 RESID 304 (A): N 126.900 126.900 125.446 1.454 RESID 304 (A): C 180.400 180.400 179.345 1.055 RESID 304 (A): CA 56.000 56.000 54.907 1.093 RESID 304 (A): CB 18.040 18.040 17.929 0.111 RESID 304 (A): H 8.860 8.860 7.826 1.034 RESID 305 (M): N 116.600 116.600 117.983 -1.383 RESID 305 (M): C 179.300 179.300 178.875 0.425 RESID 305 (M): CA 57.880 57.880 59.767 -1.887 RESID 305 (M): CB 31.350 31.350 32.387 -1.037 RESID 305 (M): H 7.346 7.346 7.510 -0.164 RESID 306 (Q): N 119.300 119.300 118.816 0.484 RESID 306 (Q): C 179.000 179.000 178.835 0.165 RESID 306 (Q): CA 59.410 59.410 58.886 0.524 RESID 306 (Q): CB 28.450 28.450 28.823 -0.373 RESID 306 (Q): H 7.633 7.633 7.773 -0.140 RESID 308 (L): C 178.700 178.700 178.491 0.209 RESID 308 (L): CA 58.690 58.690 58.428 0.262 RESID 308 (L): CB 41.790 41.790 41.385 0.405 RESID 309 (D): N 119.100 119.100 119.055 0.045 RESID 309 (D): C 179.600 179.600 178.887 0.713 RESID 309 (D): CA 57.830 57.830 57.545 0.285 RESID 309 (D): CB 40.820 40.820 40.336 0.485 RESID 309 (D): H 7.984 7.984 8.034 -0.050 RESID 310 (R): N 121.700 121.700 120.615 1.085 RESID 310 (R): C 178.900 178.900 178.726 0.174 RESID 310 (R): CA 58.590 58.590 59.192 -0.602 RESID 310 (R): CB 29.820 29.820 30.152 -0.332 RESID 310 (R): H 8.463 8.463 7.603 0.860 RESID 311 (L): N 119.200 119.200 119.908 -0.708 RESID 311 (L): C 178.800 178.800 178.726 0.074 RESID 311 (L): CA 58.380 58.380 58.109 0.271 RESID 311 (L): CB 42.340 42.340 41.839 0.501 RESID 311 (L): H 8.489 8.489 8.333 0.156 RESID 312 (K): N 116.500 116.500 118.732 -2.232 RESID 312 (K): C 178.000 178.000 178.402 -0.402 RESID 312 (K): CA 59.250 59.250 59.178 0.072 RESID 312 (K): CB 32.440 32.440 32.492 -0.052 RESID 312 (K): H 7.955 7.955 8.181 -0.226 RESID 313 (A): N 119.500 119.500 120.769 -1.269 RESID 313 (A): C 180.000 180.000 178.673 1.327 RESID 313 (A): CA 53.920 53.920 53.298 0.622 RESID 313 (A): CB 18.800 18.800 19.246 -0.446 RESID 313 (A): H 7.427 7.427 7.735 -0.308 RESID 314 (L): N 119.500 119.500 119.161 0.339 RESID 314 (L): C 177.400 177.400 176.452 0.948 RESID 314 (L): CA 56.770 56.770 57.235 -0.465 RESID 314 (L): CB 43.730 43.730 42.351 1.379 RESID 314 (L): H 7.431 7.431 8.131 -0.700 N HA C CA CB H RESID 26 (W): -3.511 ----- -0.879 0.305 3.220 0.303 RESID 27 (P): ----- ----- 0.011 -0.289 4.948 ----- RESID 28 (R): -3.854 ----- -1.395 0.726 0.756 0.056 RESID 29 (Q): -0.820 ----- 0.599 -1.253 1.423 -0.086 RESID 30 (I): -1.807 ----- 0.637 -0.915 -0.518 1.068 RESID 31 (T): 3.161 ----- 0.747 -1.329 1.047 0.585 RESID 32 (D): 5.373 ----- 1.109 0.614 -1.041 1.405 RESID 33 (S): -4.429 ----- -0.574 0.404 -0.389 -0.221 RESID 34 (R): -2.385 ----- -0.637 -3.655 0.185 0.413 RESID 35 (G): 5.140 ----- -2.256 -0.508 ----- -0.765 RESID 36 (T): 0.152 ----- 0.803 0.030 -0.129 0.591 RESID 37 (H): 0.466 ----- 0.734 -1.304 -2.018 0.359 RESID 38 (T): 4.116 ----- 1.358 2.095 -1.231 1.537 RESID 39 (L): 7.147 ----- 0.096 0.513 -0.874 0.433 RESID 40 (E): -1.664 ----- -0.313 0.309 0.481 0.133 RESID 41 (S): -1.866 ----- -1.484 -0.905 0.588 -0.157 RESID 42 (Q): 3.286 ----- -0.156 -2.013 0.549 -1.262 RESID 43 (P): ----- ----- -0.419 0.766 0.077 ----- RESID 44 (Q): 2.621 ----- -0.666 -1.610 2.905 2.583 RESID 45 (R): 8.232 ----- 0.500 0.073 -0.031 2.445 RESID 47 (V): ----- ----- 0.350 -0.254 -0.267 ----- RESID 48 (S): -2.010 ----- 1.912 -1.911 -1.113 -0.648 RESID 49 (T): 4.181 ----- -2.911 0.933 -0.382 -0.354 RESID 50 (S): -0.431 ----- -0.582 -2.035 -0.051 -0.107 RESID 51 (V): 4.922 ----- -2.816 -0.342 -0.109 0.172 RESID 52 (T): 0.582 ----- 3.216 0.869 0.267 -0.128 RESID 53 (L): 1.117 ----- 0.435 -0.695 0.830 -0.501 RESID 54 (T): 1.777 ----- -1.751 -0.651 ----- -0.110 RESID 55 (G): -3.682 ----- -0.175 0.310 ----- -1.280 RESID 56 (S): -0.792 ----- -1.156 1.960 1.975 -1.247 RESID 58 (L): ----- ----- 1.763 -0.289 -0.109 ----- RESID 59 (A): -0.769 ----- -0.311 0.740 -0.312 -0.317 RESID 60 (I): ----- ----- -1.543 0.154 0.451 ----- RESID 61 (D): -2.330 ----- 0.251 0.041 -0.033 -0.003 RESID 62 (A): -3.048 ----- 2.686 -0.837 -1.639 0.081 RESID 63 (P): ----- ----- -2.111 0.603 -4.700 ----- RESID 64 (V): 3.845 ----- -0.911 -1.440 -0.823 0.435 RESID 65 (I): -4.115 ----- 1.056 -2.977 1.330 0.246 RESID 66 (A): 3.176 ----- -0.044 0.599 1.410 -0.442 RESID 67 (S): -5.055 ----- 2.195 -2.079 -2.423 0.231 RESID 68 (G): 5.556 ----- -1.606 2.003 ----- -1.043 RESID 69 (A): -3.752 ----- 2.716 -1.130 2.002 -0.956 RESID 70 (T): 5.890 ----- -2.639 -3.122 0.721 1.053 RESID 71 (T): -4.348 ----- -0.636 0.337 1.496 -0.734 RESID 72 (P): ----- ----- 1.025 -0.253 0.758 ----- RESID 73 (N): -4.556 ----- -1.620 0.674 -1.452 -0.670 RESID 74 (N): ----- ----- -1.190 4.969 0.276 ----- RESID 75 (R): -6.372 ----- -0.135 1.067 1.063 -0.270 RESID 76 (V): -10.207 ----- 0.049 -2.941 2.014 -0.822 RESID 77 (A): 5.759 ----- -1.066 -1.039 5.126 0.705 RESID 78 (D): 1.735 ----- 2.202 -0.919 0.367 0.429 RESID 79 (D): 0.833 ----- 0.290 1.089 0.889 -0.147 RESID 80 (Q): -4.358 ----- -1.182 -1.502 2.417 -0.180 RESID 81 (G): 0.011 ----- 0.853 0.947 ----- -0.646 RESID 82 (F): 0.633 ----- -0.441 -4.252 -2.638 0.302 RESID 83 (L): ----- ----- 0.963 0.348 -3.468 ----- RESID 84 (R): 0.321 ----- 0.762 3.472 1.632 -0.688 RESID 85 (Q): -2.643 ----- -2.690 0.199 -3.158 1.875 RESID 86 (W): -6.371 ----- -1.864 -5.137 -2.147 -1.963 RESID 87 (S): 3.945 ----- 1.451 0.525 ----- -1.283 RESID 88 (K): -3.928 ----- 0.175 0.464 -0.093 0.969 RESID 89 (V): 6.325 ----- 0.798 0.076 0.512 -0.652 RESID 90 (A): -0.438 ----- 1.060 1.332 1.320 0.655 RESID 91 (K): -0.458 ----- 3.010 0.986 -0.011 -0.274 RESID 92 (E): 5.068 ----- 1.493 2.278 -0.663 0.473 RESID 93 (R): -3.139 ----- 0.334 0.794 -1.529 -0.281 RESID 94 (K): 1.752 ----- 0.680 -0.643 -1.412 -0.704 RESID 95 (L): -1.013 ----- 0.307 0.702 1.057 0.067 RESID 96 (Q): 0.481 ----- -0.942 0.645 0.335 -0.866 RESID 97 (R): 6.446 ----- 0.826 -1.090 1.503 0.503 RESID 98 (L): 2.372 ----- -0.006 2.279 3.498 -0.419 RESID 99 (Y): -2.206 ----- -1.390 -0.785 -1.012 -1.374 RESID 100 (I): -6.265 ----- -0.325 -1.782 3.581 0.098 RESID 101 (G): 0.877 ----- -0.699 2.212 ----- -0.269 RESID 102 (E): 10.907 ----- -0.784 0.478 2.028 0.284 RESID 103 (P): ----- ----- -0.830 -1.390 -0.090 ----- RESID 104 (S): -5.260 ----- 0.174 -3.156 -0.083 -2.556 RESID 105 (A): 0.235 ----- 0.348 0.742 -0.899 0.330 RESID 106 (E): 0.324 ----- 0.430 1.224 -0.471 0.149 RESID 107 (A): -0.768 ----- 0.312 -0.438 0.840 -0.196 RESID 108 (V): -1.685 ----- -0.934 1.167 0.334 -0.534 RESID 109 (A): -1.993 ----- 1.780 0.521 -0.205 0.029 RESID 110 (A): -0.743 ----- 0.247 -0.254 -0.026 -0.307 RESID 111 (Q): -1.044 ----- -1.061 0.902 -0.193 -0.295 RESID 112 (M): -6.109 ----- 0.068 0.369 -1.431 -0.070 RESID 113 (P): ----- ----- 0.437 0.210 0.363 ----- RESID 114 (D): -2.144 ----- -0.029 -2.069 -1.960 0.613 RESID 115 (L): ----- ----- 0.596 -1.327 ----- ----- RESID 116 (I): -2.775 ----- ----- 0.146 ----- 1.306 RESID 118 (I): ----- ----- -1.045 0.481 1.169 ----- RESID 119 (S): -0.019 ----- 0.552 -0.570 0.673 1.020 RESID 120 (A): 1.513 ----- -0.521 -0.047 1.563 -0.561 RESID 121 (T): -4.072 ----- -0.102 -2.462 1.602 -0.225 RESID 122 (G): -6.519 ----- 3.070 -0.764 ----- 0.161 RESID 123 (G): ----- ----- -0.213 1.038 ----- ----- RESID 124 (D): -2.223 ----- 1.164 -0.604 0.051 0.894 RESID 125 (S): -4.015 ----- 1.713 0.085 0.121 -1.117 RESID 126 (A): 4.789 ----- -1.955 -2.351 -2.236 0.233 RESID 127 (L): -0.005 ----- 0.567 1.455 1.228 -0.794 RESID 128 (A): 3.489 ----- 0.783 0.851 -0.495 1.299 RESID 129 (L): 0.602 ----- -0.884 -1.282 -0.406 0.355 RESID 130 (Y): -0.806 ----- 0.390 1.437 1.048 -1.098 RESID 131 (D): 1.152 ----- -0.084 0.617 0.278 0.921 RESID 132 (Q): -0.923 ----- 0.300 0.210 0.597 -0.143 RESID 133 (L): -0.439 ----- -0.694 0.266 -0.817 -0.353 RESID 134 (S): -3.117 ----- -0.336 0.235 0.737 -0.332 RESID 135 (T): -4.891 ----- -1.304 -2.074 0.662 -0.601 RESID 136 (I): 3.909 ----- 0.229 -0.084 0.310 0.343 RESID 137 (A): 1.876 ----- -1.681 -0.120 -0.150 -0.428 RESID 138 (P): ----- ----- -1.503 1.099 0.083 ----- RESID 139 (T): 2.142 ----- -0.046 -1.564 1.860 -0.163 RESID 140 (L): ----- ----- 0.613 -0.787 0.610 ----- RESID 141 (I): -2.195 ----- 1.158 -0.900 0.919 1.427 RESID 142 (I): 2.052 ----- 0.214 -1.934 -2.387 0.084 RESID 143 (N): 4.842 ----- 0.470 -1.921 0.087 0.734 RESID 144 (Y): -6.185 ----- 1.709 -3.779 -0.115 0.038 RESID 145 (D): 0.924 ----- 1.755 -0.212 3.376 0.451 RESID 146 (D): 3.798 ----- -0.078 -0.362 -1.649 -1.036 RESID 147 (K): -5.676 ----- -0.262 -1.534 -1.854 -0.542 RESID 148 (S): -0.402 ----- -0.401 -0.077 0.734 0.207 RESID 149 (W): 1.693 ----- 2.087 1.309 -0.707 -0.144 RESID 150 (Q): 3.800 ----- 0.095 3.507 -1.123 1.561 RESID 151 (S): 1.092 ----- 0.588 0.566 0.697 0.103 RESID 152 (L): 2.561 ----- 0.549 0.400 0.291 0.045 RESID 153 (L): 0.570 ----- 1.046 1.434 -0.097 0.953 RESID 154 (T): 3.524 ----- 0.304 1.326 0.538 0.134 RESID 155 (Q): 3.504 ----- 1.202 1.379 0.270 0.327 RESID 156 (L): ----- ----- 1.639 0.623 -0.128 ----- RESID 157 (G): 5.797 ----- -0.579 1.789 ----- 1.220 RESID 158 (E): 4.824 ----- 0.655 1.253 0.322 0.021 RESID 160 (T): ----- ----- 2.307 -1.181 2.669 ----- RESID 161 (G): -0.298 ----- 0.447 1.251 ----- -0.876 RESID 162 (H): 4.914 ----- -2.180 -0.507 -2.992 0.671 RESID 163 (E): 1.784 ----- 2.334 1.442 -0.440 1.548 RESID 164 (K): 1.092 ----- -0.010 -0.359 0.188 0.377 RESID 165 (Q): 1.356 ----- 0.408 2.117 -0.155 -0.050 RESID 166 (A): -1.337 ----- -1.424 1.321 0.227 -0.126 RESID 167 (A): -3.041 ----- 1.887 -0.162 -0.308 -1.109 RESID 168 (E): 1.536 ----- 0.469 -0.004 0.453 0.326 RESID 170 (I): ----- ----- 0.000 1.572 1.356 ----- RESID 171 (A): -2.481 ----- 1.357 -0.349 0.145 -0.782 RESID 172 (Q): 2.585 ----- 0.619 0.718 -0.261 0.639 RESID 173 (F): -0.147 ----- -1.009 1.586 0.364 -0.317 RESID 174 (D): 0.903 ----- 1.411 0.539 -0.092 -0.272 RESID 175 (K): 1.086 ----- 1.166 -0.009 0.316 -0.050 RESID 176 (Q): 2.098 ----- 0.764 -0.479 -0.533 0.347 RESID 177 (L): 6.003 ----- -0.272 2.649 -0.163 1.207 RESID 178 (A): -1.059 ----- 1.365 0.195 0.088 -0.549 RESID 179 (A): -0.765 ----- 0.713 0.341 -0.409 0.044 RESID 180 (A): -0.039 ----- 0.099 0.750 -0.263 0.175 RESID 181 (K): 0.138 ----- -0.076 0.610 0.703 0.025 RESID 182 (E): -2.150 ----- -0.145 0.748 1.074 -0.589 RESID 183 (Q): -0.688 ----- 1.026 0.236 0.414 -0.184 RESID 184 (I): 1.926 ----- 0.957 3.246 0.347 0.292 RESID 185 (K): 4.714 ----- -0.027 -0.570 -2.906 0.829 RESID 186 (L): -1.039 ----- -0.205 2.363 0.373 -0.430 RESID 188 (P): ----- ----- -1.458 1.474 1.016 ----- RESID 189 (Q): 0.217 ----- 1.873 -2.394 0.960 -0.164 RESID 190 (P): ----- ----- -0.053 0.355 2.630 ----- RESID 191 (V): -9.003 ----- 0.330 0.221 0.338 0.692 RESID 192 (T): 7.366 ----- 0.220 3.507 0.296 0.138 RESID 193 (A): 9.908 ----- 0.000 -0.558 -0.290 1.609 RESID 194 (I): -2.085 ----- 2.900 -0.460 1.810 0.748 RESID 195 (V): -4.274 ----- 2.129 1.805 0.144 -0.148 RESID 196 (Y): 2.713 ----- 0.547 -0.413 1.048 1.005 RESID 197 (T): 1.487 ----- 0.933 0.111 -3.033 0.425 RESID 198 (A): -0.405 ----- 1.324 1.217 0.105 -0.310 RESID 199 (A): -4.658 ----- -1.045 -0.477 0.334 0.319 RESID 200 (A): -3.858 ----- -0.622 -0.829 1.335 -1.442 RESID 201 (H): 0.558 ----- -0.495 0.394 -0.420 -0.147 RESID 202 (S): -3.985 ----- 0.042 -1.072 -0.141 -0.699 RESID 203 (A): -2.976 ----- -0.392 -0.529 2.306 0.309 RESID 204 (N): 0.016 ----- -0.159 -0.552 -2.082 0.113 RESID 205 (L): 5.459 ----- 0.136 0.852 1.538 1.653 RESID 206 (W): 1.639 ----- 0.653 -0.743 -1.131 0.647 RESID 207 (T): 1.807 ----- 2.820 0.889 -1.855 -0.108 RESID 208 (P): ----- ----- -0.852 0.734 -0.217 ----- RESID 209 (E): -2.760 ----- 0.293 0.064 -0.387 -0.363 RESID 210 (S): 0.718 ----- -1.627 -1.098 2.847 0.225 RESID 211 (A): -2.200 ----- 0.748 0.091 -0.228 -0.146 RESID 212 (Q): 0.562 ----- -0.918 2.437 -0.328 0.017 RESID 213 (G): -0.143 ----- -0.916 0.695 ----- -0.250 RESID 214 (Q): -0.776 ----- 0.611 0.288 0.415 0.410 RESID 215 (M): -1.423 ----- -0.365 0.117 -0.792 -0.319 RESID 216 (L): -3.012 ----- 0.869 0.513 -1.449 -0.452 RESID 217 (E): 1.330 ----- 2.942 1.281 -0.270 0.201 RESID 218 (Q): 5.163 ----- -0.796 0.945 -0.259 0.548 RESID 219 (L): 0.563 ----- -2.232 -1.376 1.454 -0.328 RESID 220 (G): 1.906 ----- 1.781 0.059 ----- -0.389 RESID 221 (F): 0.190 ----- 0.872 1.929 -3.862 0.229 RESID 222 (T): 1.644 ----- 0.520 0.615 1.585 0.398 RESID 223 (L): 1.228 ----- 1.654 1.357 -1.156 1.065 RESID 224 (A): -1.253 ----- 1.542 1.474 -2.178 0.970 RESID 225 (K): 2.175 ----- 0.607 0.017 0.185 0.236 RESID 226 (L): -1.818 ----- -0.107 -0.528 0.470 0.115 RESID 227 (P): ----- ----- -0.269 -0.029 0.172 ----- RESID 228 (A): 0.072 ----- 1.026 0.713 0.009 -0.099 RESID 229 (G): 0.216 ----- -0.981 0.612 ----- 0.472 RESID 230 (L): -1.230 ----- -1.441 0.120 0.940 -0.424 RESID 231 (N): -0.463 ----- -0.596 -2.461 0.961 0.187 RESID 232 (A): 4.976 ----- 0.072 1.420 1.342 0.163 RESID 233 (S): -0.072 ----- -0.482 -1.763 0.942 -0.269 RESID 234 (Q): 1.533 ----- 0.695 0.171 -1.304 0.456 RESID 235 (S): -0.994 ----- 0.234 0.009 1.621 -0.209 RESID 236 (Q): -4.829 ----- 1.259 1.105 1.653 -0.487 RESID 237 (G): 1.361 ----- 1.138 0.235 ----- 0.797 RESID 238 (K): -0.961 ----- 1.121 0.457 0.531 -0.389 RESID 239 (R): -4.099 ----- ----- 0.178 0.651 -0.351 RESID 240 (H): ----- ----- -1.726 -2.910 -0.313 ----- RESID 241 (D): 0.577 ----- -1.576 -0.492 -0.667 0.662 RESID 242 (I): 0.212 ----- 1.211 -0.311 2.753 -0.324 RESID 243 (I): -1.001 ----- 1.034 -0.294 2.906 0.225 RESID 244 (Q): 0.861 ----- 1.045 1.529 0.022 0.170 RESID 245 (L): 1.985 ----- -0.406 0.680 0.249 0.299 RESID 246 (G): 4.645 ----- -0.130 -0.442 ----- -0.020 RESID 247 (G): -0.151 ----- 1.825 3.147 ----- 0.926 RESID 248 (E): 2.582 ----- 0.794 1.061 0.141 0.453 RESID 249 (N): 0.163 ----- -0.502 -0.112 0.598 0.267 RESID 250 (L): 1.161 ----- -0.994 1.793 0.750 -0.686 RESID 251 (A): -5.016 ----- 1.335 0.685 -0.430 -0.173 RESID 252 (A): -1.210 ----- 0.776 1.599 0.006 -1.034 RESID 253 (G): -7.307 ----- -2.102 0.359 ----- 0.027 RESID 254 (L): 1.965 ----- -2.281 -1.845 -3.019 -0.582 RESID 255 (N): -7.686 ----- 0.343 -0.556 -1.220 -1.140 RESID 256 (G): 2.471 ----- -2.371 0.450 ----- -0.698 RESID 257 (E): 1.385 ----- 1.521 1.241 -0.718 -0.167 RESID 258 (S): -6.484 ----- -0.023 -0.768 2.849 -0.846 RESID 259 (L): -2.920 ----- -2.469 -0.794 4.008 0.942 RESID 260 (F): 0.635 ----- -1.828 1.488 1.117 1.148 RESID 261 (L): 3.723 ----- 0.512 0.825 -4.042 0.862 RESID 262 (F): 1.531 ----- -0.306 1.882 1.433 0.227 RESID 263 (A): -2.214 ----- -1.728 0.972 2.890 0.617 RESID 264 (G): -7.068 ----- -1.628 0.479 ----- -1.139 RESID 265 (D): -0.386 ----- 0.040 -1.105 0.570 0.934 RESID 266 (Q): -1.195 ----- 0.142 -0.440 -0.158 -0.327 RESID 267 (K): -1.069 ----- 2.316 -0.157 -0.347 -0.044 RESID 268 (D): 1.942 ----- -0.938 1.006 1.299 -0.470 RESID 269 (A): 0.220 ----- 0.579 0.715 -0.702 -0.251 RESID 270 (D): 0.316 ----- 2.782 1.250 -0.392 0.783 RESID 271 (A): 3.027 ----- 1.470 1.471 -1.028 0.525 RESID 272 (I): -120.454 ----- 1.345 -0.771 -2.416 -1.061 RESID 273 (Y): -0.690 ----- 0.223 2.812 1.938 0.219 RESID 274 (A): -3.245 ----- 0.016 -0.975 0.164 -0.343 RESID 275 (N): 1.657 ----- 1.687 -0.320 1.558 -0.751 RESID 276 (P): ----- ----- 0.403 -0.281 0.401 ----- RESID 277 (L): -0.706 ----- -0.904 -0.919 0.215 -0.151 RESID 278 (L): -1.475 ----- -1.269 -1.734 -0.347 -0.194 RESID 279 (A): -4.503 ----- -0.109 0.719 1.106 -1.246 RESID 280 (H): -3.686 ----- 0.291 -0.901 0.904 0.144 RESID 281 (L): 1.595 ----- 0.430 0.362 -1.460 -0.156 RESID 282 (P): ----- ----- -0.180 0.370 0.424 ----- RESID 283 (A): -3.220 ----- -0.835 0.437 1.308 -0.458 RESID 284 (V): -3.286 ----- 1.072 -0.251 1.736 -1.123 RESID 285 (Q): 0.767 ----- 0.343 0.705 0.470 0.771 RESID 286 (N): -1.391 ----- 0.640 0.432 -0.349 0.070 RESID 287 (K): 2.592 ----- -0.121 0.235 -0.974 0.038 RESID 288 (Q): 2.550 ----- -0.372 -1.863 -0.328 0.475 RESID 289 (V): 0.593 ----- -0.052 0.477 -1.387 -0.663 RESID 290 (Y): 1.112 ----- -0.300 0.350 -1.766 -0.302 RESID 291 (A): 4.868 ----- 1.574 1.167 -1.573 0.407 RESID 292 (L): 1.005 ----- -0.725 0.642 0.211 -0.586 RESID 293 (G): 3.658 ----- 3.500 0.674 ----- 0.589 RESID 294 (T): 1.058 ----- 0.384 0.087 -0.851 0.235 RESID 295 (E): 2.153 ----- 1.107 0.223 0.234 1.534 RESID 296 (T): -5.649 ----- -0.745 1.053 1.367 -0.852 RESID 297 (F): -1.510 ----- -1.377 0.685 -0.125 0.410 RESID 298 (R): -2.982 ----- 0.891 -1.633 1.360 -0.705 RESID 299 (L): -0.918 ----- 0.182 0.312 -2.308 0.495 RESID 300 (D): 0.450 ----- -2.198 -1.272 0.730 -1.003 RESID 301 (Y): -3.298 ----- -0.849 -1.644 0.045 -1.049 RESID 302 (Y): -3.144 ----- 3.178 1.061 -0.002 -0.802 RESID 303 (S): 3.353 ----- -0.205 -0.831 0.503 -0.024 RESID 304 (A): 1.454 ----- 1.055 1.093 0.111 1.034 RESID 305 (M): -1.383 ----- 0.425 -1.887 -1.037 -0.164 RESID 306 (Q): 0.484 ----- 0.165 0.524 -0.373 -0.140 RESID 308 (L): ----- ----- 0.209 0.262 0.405 ----- RESID 309 (D): 0.045 ----- 0.713 0.285 0.485 -0.050 RESID 310 (R): 1.085 ----- 0.174 -0.602 -0.332 0.860 RESID 311 (L): -0.708 ----- 0.074 0.271 0.501 0.156 RESID 312 (K): -2.232 ----- -0.402 0.072 -0.052 -0.226 RESID 313 (A): -1.269 ----- 1.327 0.622 -0.446 -0.308 RESID 314 (L): 0.339 ----- 0.948 -0.465 1.379 -0.700 DATA CS_STAT_INFO N RMS: 8.222 ppm Count: 256 Average Difference: 0.484 +/- 8.224 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.223 ppm Count: 281 Average Difference: -0.160 +/- 1.215 ppm DATA CS_STAT_INFO CA RMS: 1.342 ppm Count: 283 Average Difference: -0.099 +/- 1.341 ppm DATA CS_STAT_INFO CB RMS: 1.427 ppm Count: 260 Average Difference: -0.158 +/- 1.421 ppm DATA CS_STAT_INFO HN RMS: 0.715 ppm Count: 256 Average Difference: -0.022 +/- 0.716 ppm ############################################################################ For conformer 22: Atom Original Corrected SPARTA Difference RESID 25 (D): N 120.600 120.600 120.301 0.299 RESID 25 (D): C 174.400 174.400 175.364 -0.964 RESID 25 (D): CA 55.230 55.230 53.196 2.034 RESID 25 (D): CB 41.340 41.340 41.724 -0.384 RESID 25 (D): H 8.275 8.275 8.101 0.174 RESID 26 (W): N 120.100 120.100 123.419 -3.319 RESID 26 (W): C 174.200 174.200 175.081 -0.881 RESID 26 (W): CA 55.330 55.330 54.921 0.409 RESID 26 (W): CB 31.090 31.090 27.809 3.281 RESID 26 (W): H 7.788 7.788 7.700 0.088 RESID 27 (P): C 175.900 175.900 175.920 -0.020 RESID 27 (P): CA 62.800 62.800 63.104 -0.304 RESID 27 (P): CB 37.260 37.260 32.333 4.928 RESID 28 (R): N 118.000 118.000 121.813 -3.813 RESID 28 (R): C 173.700 173.700 175.108 -1.408 RESID 28 (R): CA 55.160 55.160 54.430 0.730 RESID 28 (R): CB 33.430 33.430 32.671 0.759 RESID 28 (R): H 8.686 8.686 8.596 0.090 RESID 29 (Q): N 120.800 120.800 121.593 -0.793 RESID 29 (Q): C 175.500 175.500 174.933 0.567 RESID 29 (Q): CA 54.780 54.780 56.074 -1.294 RESID 29 (Q): CB 30.700 30.700 29.259 1.440 RESID 29 (Q): H 8.506 8.506 8.589 -0.083 RESID 30 (I): N 124.300 124.300 126.032 -1.732 RESID 30 (I): C 175.700 175.700 175.099 0.601 RESID 30 (I): CA 58.520 58.520 59.417 -0.897 RESID 30 (I): CB 40.680 40.680 41.215 -0.535 RESID 30 (I): H 9.002 9.002 7.946 1.056 RESID 31 (T): N 125.200 125.200 121.949 3.251 RESID 31 (T): C 174.400 174.400 173.699 0.701 RESID 31 (T): CA 62.150 62.150 63.489 -1.339 RESID 31 (T): CB 70.640 70.640 69.587 1.054 RESID 31 (T): H 8.989 8.989 8.406 0.583 RESID 32 (D): N 129.500 129.500 123.739 5.761 RESID 32 (D): C 177.400 177.400 175.960 1.440 RESID 32 (D): CA 52.630 52.630 51.906 0.724 RESID 32 (D): CB 42.950 42.950 43.563 -0.613 RESID 32 (D): H 9.389 9.389 7.952 1.437 RESID 33 (S): N 111.900 111.900 116.328 -4.428 RESID 33 (S): C 175.600 175.600 176.033 -0.433 RESID 33 (S): CA 60.920 60.920 60.495 0.425 RESID 33 (S): CB 63.430 63.430 63.866 -0.436 RESID 33 (S): H 8.075 8.075 8.277 -0.202 RESID 34 (R): N 120.600 120.600 123.132 -2.532 RESID 34 (R): C 176.100 176.100 176.912 -0.812 RESID 34 (R): CA 55.020 55.020 58.544 -3.525 RESID 34 (R): CB 30.850 30.850 30.724 0.126 RESID 34 (R): H 8.433 8.433 7.843 0.590 RESID 35 (G): N 108.900 108.900 103.755 5.145 RESID 35 (G): C 171.200 171.200 173.494 -2.294 RESID 35 (G): CA 45.060 45.060 45.555 -0.495 RESID 35 (G): H 7.837 7.837 8.606 -0.769 RESID 36 (T): N 116.300 116.300 115.825 0.475 RESID 36 (T): C 173.800 173.800 172.839 0.961 RESID 36 (T): CA 62.670 62.670 62.608 0.062 RESID 36 (T): CB 70.000 70.000 70.169 -0.169 RESID 36 (T): H 8.192 8.192 7.657 0.535 RESID 37 (H): N 125.800 125.800 125.324 0.476 RESID 37 (H): C 174.000 174.000 173.277 0.723 RESID 37 (H): CA 54.060 54.060 55.385 -1.325 RESID 37 (H): CB 31.020 31.020 33.082 -2.062 RESID 37 (H): H 8.986 8.986 8.628 0.358 RESID 38 (T): N 121.500 121.500 117.436 4.064 RESID 38 (T): C 174.200 174.200 172.890 1.310 RESID 38 (T): CA 63.190 63.190 61.123 2.067 RESID 38 (T): CB 70.080 70.080 71.330 -1.250 RESID 38 (T): H 9.101 9.101 7.606 1.495 RESID 39 (L): N 129.600 129.600 122.432 7.168 RESID 39 (L): C 176.900 176.900 176.860 0.040 RESID 39 (L): CA 53.990 53.990 53.474 0.516 RESID 39 (L): CB 43.160 43.160 44.129 -0.969 RESID 39 (L): H 9.145 9.145 8.699 0.446 RESID 40 (E): N 124.300 124.300 125.890 -1.590 RESID 40 (E): C 175.600 175.600 175.929 -0.329 RESID 40 (E): CA 59.420 59.420 59.141 0.279 RESID 40 (E): CB 30.710 30.710 30.218 0.492 RESID 40 (E): H 9.164 9.164 9.038 0.126 RESID 41 (S): N 108.300 108.300 110.035 -1.735 RESID 41 (S): C 171.700 171.700 173.169 -1.469 RESID 41 (S): CA 56.270 56.270 57.144 -0.874 RESID 41 (S): CB 65.420 65.420 64.822 0.598 RESID 41 (S): H 7.326 7.326 7.485 -0.159 RESID 42 (Q): N 123.900 123.900 120.614 3.286 RESID 42 (Q): C 174.600 174.600 174.742 -0.142 RESID 42 (Q): CA 53.730 53.730 55.787 -2.057 RESID 42 (Q): CB 28.470 28.470 27.906 0.564 RESID 42 (Q): H 7.339 7.339 8.614 -1.275 RESID 43 (P): C 176.300 176.300 176.465 -0.165 RESID 43 (P): CA 64.080 64.080 63.386 0.694 RESID 43 (P): CB 32.510 32.510 32.411 0.099 RESID 44 (Q): N 125.100 125.100 122.465 2.635 RESID 44 (Q): C 175.400 175.400 176.052 -0.652 RESID 44 (Q): CA 55.780 55.780 57.249 -1.469 RESID 44 (Q): CB 32.660 32.660 29.865 2.795 RESID 44 (Q): H 11.160 11.160 8.530 2.630 RESID 45 (R): N 125.700 125.700 117.430 8.270 RESID 45 (R): C 174.600 174.600 174.080 0.520 RESID 45 (R): CA 55.310 55.310 55.209 0.101 RESID 45 (R): CB 33.070 33.070 33.252 -0.182 RESID 45 (R): H 10.010 10.010 7.572 2.438 RESID 47 (V): C 174.700 174.700 174.359 0.341 RESID 47 (V): CA 60.970 60.970 61.246 -0.276 RESID 47 (V): CB 34.140 34.140 34.308 -0.168 RESID 48 (S): N 118.300 118.300 120.184 -1.884 RESID 48 (S): C 175.500 175.500 173.625 1.875 RESID 48 (S): CA 55.700 55.700 57.543 -1.843 RESID 48 (S): CB 64.750 64.750 65.854 -1.104 RESID 48 (S): H 7.852 7.852 8.484 -0.632 RESID 49 (T): N 116.800 116.800 112.535 4.265 RESID 49 (T): C 171.500 171.500 174.378 -2.878 RESID 49 (T): CA 62.400 62.400 61.443 0.957 RESID 49 (T): CB 69.320 69.320 69.678 -0.358 RESID 49 (T): H 8.283 8.283 8.632 -0.349 RESID 50 (S): N 116.200 116.200 116.701 -0.501 RESID 50 (S): C 174.600 174.600 175.170 -0.570 RESID 50 (S): CA 54.640 54.640 56.727 -2.087 RESID 50 (S): CB 64.000 64.000 64.007 -0.007 RESID 50 (S): H 7.627 7.627 7.728 -0.101 RESID 51 (V): N 134.300 134.300 129.389 4.911 RESID 51 (V): C 175.100 175.100 177.821 -2.721 RESID 51 (V): CA 65.620 65.620 65.867 -0.247 RESID 51 (V): CB 31.790 31.790 31.905 -0.115 RESID 51 (V): H 9.218 9.218 9.068 0.150 RESID 52 (T): N 117.000 117.000 116.428 0.572 RESID 52 (T): C 179.700 179.700 176.531 3.169 RESID 52 (T): CA 67.390 67.390 66.231 1.159 RESID 52 (T): CB 69.130 69.130 68.566 0.564 RESID 52 (T): H 7.841 7.841 8.027 -0.186 RESID 53 (L): N 123.400 123.400 122.285 1.115 RESID 53 (L): C 178.700 178.700 178.400 0.300 RESID 53 (L): CA 57.460 57.460 58.212 -0.752 RESID 53 (L): CB 42.610 42.610 41.807 0.803 RESID 53 (L): H 8.092 8.092 8.613 -0.521 RESID 54 (T): N 117.500 117.500 115.723 1.777 RESID 54 (T): C 174.900 174.900 176.637 -1.737 RESID 54 (T): CA 67.070 67.070 67.728 -0.658 RESID 54 (T): H 8.039 8.039 8.136 -0.097 RESID 55 (G): N 105.500 105.500 109.202 -3.702 RESID 55 (G): C 175.600 175.600 175.801 -0.201 RESID 55 (G): CA 47.260 47.260 46.968 0.292 RESID 55 (G): H 6.591 6.591 7.871 -1.280 RESID 56 (S): N 117.000 117.000 117.766 -0.766 RESID 56 (S): C 175.600 175.600 176.757 -1.157 RESID 56 (S): CA 63.400 63.400 61.494 1.906 RESID 56 (S): CB 65.060 65.060 63.099 1.961 RESID 56 (S): H 6.709 6.709 7.947 -1.238 RESID 58 (L): C 181.200 181.200 179.427 1.773 RESID 58 (L): CA 57.480 57.480 57.784 -0.304 RESID 58 (L): CB 40.810 40.810 40.945 -0.135 RESID 59 (A): N 122.100 122.100 122.807 -0.707 RESID 59 (A): C 178.500 178.500 178.775 -0.275 RESID 59 (A): CA 55.540 55.540 54.785 0.755 RESID 59 (A): CB 18.440 18.440 18.742 -0.302 RESID 59 (A): H 7.797 7.797 8.070 -0.273 RESID 60 (I): C 172.700 172.700 174.240 -1.540 RESID 60 (I): CA 60.390 60.390 60.226 0.164 RESID 60 (I): CB 37.930 37.930 37.502 0.428 RESID 61 (D): N 116.200 116.200 118.644 -2.444 RESID 61 (D): C 174.800 174.800 174.576 0.224 RESID 61 (D): CA 55.850 55.850 55.795 0.055 RESID 61 (D): CB 38.930 38.930 38.954 -0.024 RESID 61 (D): H 7.736 7.736 7.735 0.001 RESID 62 (A): N 118.900 118.900 122.025 -3.125 RESID 62 (A): C 176.800 176.800 174.121 2.679 RESID 62 (A): CA 50.040 50.040 50.888 -0.848 RESID 62 (A): CB 17.940 17.940 19.571 -1.631 RESID 62 (A): H 7.820 7.820 7.728 0.092 RESID 63 (P): C 173.600 173.600 175.712 -2.112 RESID 63 (P): CA 63.250 63.250 62.636 0.614 RESID 63 (P): CB 27.640 27.640 32.331 -4.691 RESID 64 (V): N 123.100 123.100 119.218 3.882 RESID 64 (V): C 174.800 174.800 175.709 -0.909 RESID 64 (V): CA 58.420 58.420 59.848 -1.428 RESID 64 (V): CB 33.300 33.300 34.068 -0.768 RESID 64 (V): H 8.299 8.299 7.864 0.435 RESID 65 (I): N 122.000 122.000 126.444 -4.444 RESID 65 (I): C 177.100 177.100 175.546 1.554 RESID 65 (I): CA 61.010 61.010 64.037 -3.026 RESID 65 (I): CB 39.480 39.480 38.218 1.262 RESID 65 (I): H 8.589 8.589 8.374 0.215 RESID 66 (A): N 120.700 120.700 116.474 4.226 RESID 66 (A): C 175.100 175.100 175.245 -0.145 RESID 66 (A): CA 51.300 51.300 50.589 0.711 RESID 66 (A): CB 22.980 22.980 21.509 1.471 RESID 66 (A): H 7.246 7.246 7.697 -0.451 RESID 67 (S): N 111.700 111.700 116.834 -5.134 RESID 67 (S): C 176.500 176.500 174.200 2.300 RESID 67 (S): CA 55.230 55.230 57.286 -2.056 RESID 67 (S): CB 65.300 65.300 67.727 -2.427 RESID 67 (S): H 8.561 8.561 8.330 0.231 RESID 68 (G): N 112.900 112.900 107.245 5.655 RESID 68 (G): C 171.000 171.000 172.603 -1.603 RESID 68 (G): CA 46.580 46.580 44.493 2.087 RESID 68 (G): H 7.604 7.604 8.716 -1.112 RESID 69 (A): N 122.300 122.300 125.940 -3.640 RESID 69 (A): C 177.900 177.900 175.227 2.673 RESID 69 (A): CA 51.280 51.280 52.450 -1.170 RESID 69 (A): CB 23.440 23.440 21.365 2.075 RESID 69 (A): H 7.402 7.402 8.205 -0.803 RESID 70 (T): N 119.600 119.600 114.168 5.432 RESID 70 (T): C 171.400 171.400 174.123 -2.723 RESID 70 (T): CA 58.150 58.150 61.288 -3.138 RESID 70 (T): CB 70.880 70.880 69.730 1.150 RESID 70 (T): H 9.171 9.171 8.142 1.029 RESID 71 (T): N 116.500 116.500 121.918 -5.418 RESID 71 (T): C 172.500 172.500 172.914 -0.414 RESID 71 (T): CA 61.680 61.680 61.624 0.056 RESID 71 (T): CB 70.490 70.490 68.931 1.559 RESID 71 (T): H 7.663 7.663 8.454 -0.791 RESID 72 (P): C 177.100 177.100 176.139 0.961 RESID 72 (P): CA 63.390 63.390 63.567 -0.177 RESID 72 (P): CB 32.940 32.940 32.220 0.720 RESID 73 (N): N 115.200 115.200 119.806 -4.606 RESID 73 (N): C 174.600 174.600 176.223 -1.623 RESID 73 (N): CA 54.570 54.570 53.817 0.753 RESID 73 (N): CB 37.020 37.020 38.486 -1.466 RESID 73 (N): H 7.990 7.990 8.698 -0.708 RESID 74 (N): C 175.800 175.800 176.957 -1.157 RESID 74 (N): CA 60.660 60.660 55.652 5.008 RESID 74 (N): CB 38.070 38.070 37.711 0.359 RESID 75 (R): N 114.600 114.600 120.924 -6.324 RESID 75 (R): C 177.400 177.400 177.560 -0.160 RESID 75 (R): CA 59.940 59.940 58.863 1.077 RESID 75 (R): CB 31.110 31.110 30.063 1.047 RESID 75 (R): H 8.049 8.049 8.337 -0.288 RESID 76 (V): N 107.100 107.100 117.381 -10.281 RESID 76 (V): C 176.000 176.000 175.943 0.057 RESID 76 (V): CA 61.110 61.110 64.017 -2.907 RESID 76 (V): CB 33.590 33.590 31.538 2.052 RESID 76 (V): H 7.356 7.356 8.181 -0.825 RESID 77 (A): N 126.900 126.900 120.982 5.918 RESID 77 (A): C 176.500 176.500 177.572 -1.072 RESID 77 (A): CA 51.390 51.390 52.418 -1.028 RESID 77 (A): CB 24.260 24.260 19.149 5.111 RESID 77 (A): H 7.873 7.873 7.150 0.723 RESID 78 (D): N 118.700 118.700 116.904 1.796 RESID 78 (D): C 178.100 178.100 175.887 2.213 RESID 78 (D): CA 51.970 51.970 52.917 -0.947 RESID 78 (D): CB 41.360 41.360 40.999 0.361 RESID 78 (D): H 8.607 8.607 8.176 0.431 RESID 79 (D): N 116.600 116.600 115.724 0.876 RESID 79 (D): C 176.400 176.400 176.123 0.277 RESID 79 (D): CA 56.030 56.030 54.977 1.053 RESID 79 (D): CB 40.100 40.100 39.237 0.863 RESID 79 (D): H 8.258 8.258 8.425 -0.167 RESID 80 (Q): N 117.200 117.200 121.552 -4.352 RESID 80 (Q): C 175.700 175.700 176.888 -1.188 RESID 80 (Q): CA 54.970 54.970 56.497 -1.527 RESID 80 (Q): CB 30.840 30.840 28.455 2.385 RESID 80 (Q): H 8.160 8.160 8.341 -0.181 RESID 81 (G): N 105.300 105.300 105.285 0.015 RESID 81 (G): C 174.200 174.200 173.345 0.855 RESID 81 (G): CA 45.740 45.740 44.789 0.951 RESID 81 (G): H 7.419 7.419 8.070 -0.651 RESID 82 (F): N 121.700 121.700 121.087 0.613 RESID 82 (F): C 175.300 175.300 175.740 -0.440 RESID 82 (F): CA 52.530 52.530 56.789 -4.259 RESID 82 (F): CB 37.430 37.430 40.056 -2.626 RESID 82 (F): H 8.154 8.154 7.858 0.296 RESID 83 (L): C 178.400 178.400 177.425 0.975 RESID 83 (L): CA 55.550 55.550 55.221 0.329 RESID 83 (L): CB 38.480 38.480 41.964 -3.484 RESID 84 (R): N 119.000 119.000 118.627 0.373 RESID 84 (R): C 178.300 178.300 177.520 0.780 RESID 84 (R): CA 60.690 60.690 57.168 3.522 RESID 84 (R): CB 31.530 31.530 29.882 1.648 RESID 84 (R): H 7.746 7.746 8.431 -0.685 RESID 85 (Q): N 116.400 116.400 119.018 -2.618 RESID 85 (Q): C 174.700 174.700 177.362 -2.662 RESID 85 (Q): CA 58.200 58.200 57.997 0.203 RESID 85 (Q): CB 26.140 26.140 29.319 -3.179 RESID 85 (Q): H 9.838 9.838 7.966 1.872 RESID 86 (W): N 115.600 115.600 122.127 -6.527 RESID 86 (W): C 175.900 175.900 177.698 -1.798 RESID 86 (W): CA 55.320 55.320 60.428 -5.109 RESID 86 (W): CB 27.470 27.470 29.534 -2.064 RESID 86 (W): H 6.600 6.600 8.560 -1.960 RESID 87 (S): N 118.500 118.500 114.725 3.775 RESID 87 (S): C 177.300 177.300 175.827 1.473 RESID 87 (S): CA 62.340 62.340 61.839 0.501 RESID 87 (S): H 7.067 7.067 8.351 -1.284 RESID 88 (K): N 118.300 118.300 122.238 -3.938 RESID 88 (K): C 179.000 179.000 178.820 0.180 RESID 88 (K): CA 59.970 59.970 59.500 0.470 RESID 88 (K): CB 32.380 32.380 32.470 -0.090 RESID 88 (K): H 8.615 8.615 7.630 0.985 RESID 89 (V): N 120.600 120.600 114.250 6.350 RESID 89 (V): C 178.100 178.100 177.290 0.810 RESID 89 (V): CA 65.530 65.530 65.455 0.075 RESID 89 (V): CB 32.180 32.180 31.679 0.501 RESID 89 (V): H 7.089 7.089 7.817 -0.728 RESID 90 (A): N 120.700 120.700 121.116 -0.416 RESID 90 (A): C 180.000 180.000 178.907 1.093 RESID 90 (A): CA 55.490 55.490 54.113 1.377 RESID 90 (A): CB 19.130 19.130 17.696 1.434 RESID 90 (A): H 7.979 7.979 7.293 0.686 RESID 91 (K): N 117.600 117.600 118.012 -0.412 RESID 91 (K): C 180.900 180.900 177.869 3.031 RESID 91 (K): CA 59.830 59.830 58.823 1.007 RESID 91 (K): CB 32.700 32.700 32.702 -0.002 RESID 91 (K): H 7.844 7.844 8.094 -0.250 RESID 92 (E): N 122.300 122.300 117.257 5.043 RESID 92 (E): C 178.600 178.600 177.097 1.503 RESID 92 (E): CA 59.590 59.590 57.294 2.296 RESID 92 (E): CB 29.740 29.740 30.398 -0.658 RESID 92 (E): H 8.178 8.178 7.694 0.484 RESID 93 (R): N 115.300 115.300 118.433 -3.133 RESID 93 (R): C 175.000 175.000 174.680 0.320 RESID 93 (R): CA 56.320 56.320 55.528 0.792 RESID 93 (R): CB 29.390 29.390 30.911 -1.521 RESID 93 (R): H 7.776 7.776 8.046 -0.270 RESID 94 (K): N 116.800 116.800 115.813 0.987 RESID 94 (K): C 176.400 176.400 175.832 0.568 RESID 94 (K): CA 56.950 56.950 57.606 -0.656 RESID 94 (K): CB 28.870 28.870 30.368 -1.498 RESID 94 (K): H 7.697 7.697 8.382 -0.685 RESID 95 (L): N 120.600 120.600 122.404 -1.804 RESID 95 (L): C 177.200 177.200 176.858 0.342 RESID 95 (L): CA 56.710 56.710 55.808 0.902 RESID 95 (L): CB 43.480 43.480 42.334 1.146 RESID 95 (L): H 7.708 7.708 7.665 0.043 RESID 96 (Q): N 124.900 124.900 124.308 0.592 RESID 96 (Q): C 175.000 175.000 176.205 -1.205 RESID 96 (Q): CA 55.570 55.570 54.878 0.692 RESID 96 (Q): CB 30.080 30.080 29.817 0.263 RESID 96 (Q): H 7.526 7.526 8.410 -0.884 RESID 97 (R): N 126.000 126.000 119.599 6.401 RESID 97 (R): C 176.800 176.800 176.211 0.589 RESID 97 (R): CA 55.610 55.610 56.592 -0.982 RESID 97 (R): CB 31.840 31.840 30.214 1.626 RESID 97 (R): H 9.039 9.039 8.541 0.498 RESID 98 (L): N 126.500 126.500 123.079 3.421 RESID 98 (L): C 175.400 175.400 175.824 -0.424 RESID 98 (L): CA 56.610 56.610 54.221 2.389 RESID 98 (L): CB 47.140 47.140 43.772 3.368 RESID 98 (L): H 8.247 8.247 8.698 -0.451 RESID 99 (Y): N 110.000 110.000 112.061 -2.061 RESID 99 (Y): C 173.200 173.200 174.598 -1.398 RESID 99 (Y): CA 55.320 55.320 56.144 -0.824 RESID 99 (Y): CB 38.350 38.350 39.339 -0.989 RESID 99 (Y): H 6.465 6.465 7.819 -1.354 RESID 100 (I): N 120.000 120.000 124.353 -4.353 RESID 100 (I): C 176.800 176.800 177.104 -0.304 RESID 100 (I): CA 61.290 61.290 62.739 -1.449 RESID 100 (I): CB 39.980 39.980 36.873 3.107 RESID 100 (I): H 8.725 8.725 8.826 -0.101 RESID 101 (G): N 114.800 114.800 113.792 1.008 RESID 101 (G): C 173.400 173.400 174.008 -0.608 RESID 101 (G): CA 47.030 47.030 44.813 2.217 RESID 101 (G): H 8.224 8.224 8.474 -0.250 RESID 102 (E): N 129.600 129.600 118.678 10.922 RESID 102 (E): C 173.700 173.700 174.470 -0.770 RESID 102 (E): CA 54.480 54.480 54.014 0.466 RESID 102 (E): CB 29.790 29.790 27.747 2.043 RESID 102 (E): H 8.294 8.294 8.002 0.292 RESID 103 (P): C 175.400 175.400 176.241 -0.841 RESID 103 (P): CA 62.040 62.040 63.410 -1.371 RESID 103 (P): CB 32.570 32.570 32.660 -0.090 RESID 104 (S): N 111.900 111.900 117.085 -5.185 RESID 104 (S): C 174.800 174.800 174.654 0.146 RESID 104 (S): CA 55.340 55.340 58.513 -3.173 RESID 104 (S): CB 64.330 64.330 64.387 -0.057 RESID 104 (S): H 5.412 5.412 7.977 -2.565 RESID 105 (A): N 130.200 130.200 129.959 0.241 RESID 105 (A): C 179.400 179.400 179.049 0.351 RESID 105 (A): CA 55.070 55.070 54.315 0.755 RESID 105 (A): CB 18.210 18.210 19.112 -0.902 RESID 105 (A): H 9.211 9.211 8.880 0.331 RESID 106 (E): N 119.800 119.800 119.416 0.384 RESID 106 (E): C 179.300 179.300 178.853 0.447 RESID 106 (E): CA 60.270 60.270 59.015 1.255 RESID 106 (E): CB 28.990 28.990 29.465 -0.475 RESID 106 (E): H 8.731 8.731 8.588 0.143 RESID 107 (A): N 121.600 121.600 122.136 -0.536 RESID 107 (A): C 180.100 180.100 179.733 0.367 RESID 107 (A): CA 54.650 54.650 54.938 -0.288 RESID 107 (A): CB 19.220 19.220 18.432 0.788 RESID 107 (A): H 7.682 7.682 7.822 -0.140 RESID 108 (V): N 116.600 116.600 118.549 -1.949 RESID 108 (V): C 177.700 177.700 178.508 -0.808 RESID 108 (V): CA 66.920 66.920 65.968 0.952 RESID 108 (V): CB 31.430 31.430 31.729 -0.299 RESID 108 (V): H 7.015 7.015 7.511 -0.496 RESID 109 (A): N 121.400 121.400 122.796 -1.396 RESID 109 (A): C 181.100 181.100 179.243 1.857 RESID 109 (A): CA 55.540 55.540 54.907 0.633 RESID 109 (A): CB 17.900 17.900 18.051 -0.151 RESID 109 (A): H 8.262 8.262 8.087 0.175 RESID 110 (A): N 118.800 118.800 119.571 -0.771 RESID 110 (A): C 178.900 178.900 178.634 0.266 RESID 110 (A): CA 54.300 54.300 54.557 -0.257 RESID 110 (A): CB 18.460 18.460 18.492 -0.032 RESID 110 (A): H 7.607 7.607 7.944 -0.337 RESID 111 (Q): N 113.500 113.500 114.537 -1.037 RESID 111 (Q): C 174.900 174.900 175.929 -1.029 RESID 111 (Q): CA 55.160 55.160 54.231 0.929 RESID 111 (Q): CB 28.450 28.450 28.668 -0.218 RESID 111 (Q): H 7.148 7.148 7.434 -0.286 RESID 112 (M): N 114.700 114.700 120.934 -6.234 RESID 112 (M): C 173.300 173.300 173.255 0.045 RESID 112 (M): CA 55.900 55.900 55.516 0.384 RESID 112 (M): CB 30.300 30.300 31.745 -1.445 RESID 112 (M): H 7.882 7.882 7.958 -0.076 RESID 113 (P): C 176.700 176.700 176.235 0.465 RESID 113 (P): CA 62.820 62.820 62.640 0.180 RESID 113 (P): CB 33.340 33.340 32.975 0.365 RESID 114 (D): N 115.800 115.800 118.034 -2.234 RESID 114 (D): C 175.900 175.900 175.951 -0.051 RESID 114 (D): CA 53.150 53.150 55.125 -1.975 RESID 114 (D): CB 40.990 40.990 43.001 -2.010 RESID 114 (D): H 8.850 8.850 8.244 0.606 RESID 115 (L): C 174.900 174.900 174.294 0.606 RESID 115 (L): CA 52.800 52.800 54.200 -1.400 RESID 116 (I): N 123.500 123.500 126.327 -2.827 RESID 116 (I): CA 60.270 60.270 60.337 -0.067 RESID 116 (I): H 9.340 9.340 8.003 1.337 RESID 118 (I): C 174.400 174.400 175.387 -0.987 RESID 118 (I): CA 60.250 60.250 59.813 0.437 RESID 118 (I): CB 42.610 42.610 41.581 1.030 RESID 119 (S): N 121.600 121.600 121.296 0.304 RESID 119 (S): C 175.700 175.700 175.121 0.579 RESID 119 (S): CA 57.150 57.150 57.748 -0.598 RESID 119 (S): CB 65.280 65.280 64.590 0.690 RESID 119 (S): H 9.575 9.575 8.546 1.029 RESID 120 (A): N 126.000 126.000 124.420 1.580 RESID 120 (A): C 176.900 176.900 177.383 -0.483 RESID 120 (A): CA 54.300 54.300 54.343 -0.043 RESID 120 (A): CB 20.530 20.530 19.010 1.520 RESID 120 (A): H 8.143 8.143 8.663 -0.520 RESID 121 (T): N 106.400 106.400 110.515 -4.115 RESID 121 (T): C 173.000 173.000 173.107 -0.107 RESID 121 (T): CA 59.450 59.450 61.919 -2.470 RESID 121 (T): CB 72.310 72.310 70.720 1.590 RESID 121 (T): H 7.617 7.617 7.830 -0.213 RESID 122 (G): N 104.200 104.200 110.695 -6.495 RESID 122 (G): C 177.200 177.200 174.132 3.068 RESID 122 (G): CA 44.430 44.430 45.207 -0.777 RESID 122 (G): H 7.998 7.998 7.838 0.160 RESID 123 (G): C 174.100 174.100 174.314 -0.214 RESID 123 (G): CA 46.710 46.710 45.670 1.040 RESID 124 (D): N 116.900 116.900 119.321 -2.421 RESID 124 (D): C 176.900 176.900 175.927 0.973 RESID 124 (D): CA 52.320 52.320 52.911 -0.591 RESID 124 (D): CB 40.690 40.690 40.638 0.052 RESID 124 (D): H 8.617 8.617 7.794 0.823 RESID 125 (S): N 115.100 115.100 119.197 -4.097 RESID 125 (S): C 176.900 176.900 175.243 1.657 RESID 125 (S): CA 58.750 58.750 58.683 0.067 RESID 125 (S): CB 64.190 64.190 64.050 0.140 RESID 125 (S): H 7.322 7.322 8.428 -1.106 RESID 126 (A): N 134.900 134.900 130.174 4.726 RESID 126 (A): C 176.700 176.700 178.656 -1.956 RESID 126 (A): CA 51.150 51.150 53.498 -2.348 RESID 126 (A): CB 16.850 16.850 19.085 -2.236 RESID 126 (A): H 8.837 8.837 8.582 0.255 RESID 127 (L): N 121.000 121.000 121.035 -0.035 RESID 127 (L): C 178.900 178.900 178.358 0.542 RESID 127 (L): CA 58.730 58.730 57.265 1.465 RESID 127 (L): CB 42.840 42.840 41.610 1.230 RESID 127 (L): H 7.353 7.353 8.155 -0.802 RESID 128 (A): N 121.600 121.600 118.180 3.420 RESID 128 (A): C 178.900 178.900 178.158 0.742 RESID 128 (A): CA 55.010 55.010 54.192 0.818 RESID 128 (A): CB 18.200 18.200 18.693 -0.493 RESID 128 (A): H 8.918 8.918 7.630 1.288 RESID 129 (L): N 116.800 116.800 116.226 0.574 RESID 129 (L): C 177.000 177.000 177.890 -0.890 RESID 129 (L): CA 53.930 53.930 55.211 -1.281 RESID 129 (L): CB 42.710 42.710 43.091 -0.381 RESID 129 (L): H 7.776 7.776 7.419 0.357 RESID 130 (Y): N 122.000 122.000 122.886 -0.886 RESID 130 (Y): C 177.100 177.100 176.787 0.313 RESID 130 (Y): CA 64.420 64.420 62.915 1.505 RESID 130 (Y): CB 39.470 39.470 38.420 1.050 RESID 130 (Y): H 7.891 7.891 8.993 -1.102 RESID 131 (D): N 119.000 119.000 117.823 1.177 RESID 131 (D): C 178.300 178.300 178.411 -0.111 RESID 131 (D): CA 58.040 58.040 57.437 0.603 RESID 131 (D): CB 39.660 39.660 39.360 0.300 RESID 131 (D): H 9.014 9.014 8.098 0.916 RESID 132 (Q): N 118.900 118.900 119.924 -1.024 RESID 132 (Q): C 179.100 179.100 178.822 0.278 RESID 132 (Q): CA 58.930 58.930 58.759 0.171 RESID 132 (Q): CB 29.320 29.320 28.740 0.580 RESID 132 (Q): H 7.814 7.814 7.962 -0.148 RESID 133 (L): N 119.700 119.700 120.086 -0.386 RESID 133 (L): C 177.900 177.900 178.609 -0.709 RESID 133 (L): CA 57.910 57.910 57.625 0.285 RESID 133 (L): CB 40.980 40.980 41.797 -0.817 RESID 133 (L): H 8.450 8.450 8.926 -0.476 RESID 134 (S): N 111.800 111.800 114.981 -3.181 RESID 134 (S): C 175.500 175.500 176.003 -0.503 RESID 134 (S): CA 61.160 61.160 60.842 0.318 RESID 134 (S): CB 63.450 63.450 62.648 0.802 RESID 134 (S): H 8.128 8.128 8.462 -0.334 RESID 135 (T): N 111.100 111.100 116.352 -5.252 RESID 135 (T): C 175.300 175.300 176.472 -1.172 RESID 135 (T): CA 63.230 63.230 65.267 -2.037 RESID 135 (T): CB 69.670 69.670 69.015 0.655 RESID 135 (T): H 6.953 6.953 7.588 -0.635 RESID 136 (I): N 124.400 124.400 120.447 3.953 RESID 136 (I): C 175.800 175.800 175.573 0.227 RESID 136 (I): CA 63.940 63.940 64.011 -0.071 RESID 136 (I): CB 38.870 38.870 38.544 0.326 RESID 136 (I): H 7.694 7.694 7.346 0.348 RESID 137 (A): N 120.500 120.500 118.591 1.909 RESID 137 (A): C 172.300 172.300 173.925 -1.625 RESID 137 (A): CA 50.470 50.470 50.606 -0.136 RESID 137 (A): CB 19.320 19.320 19.469 -0.149 RESID 137 (A): H 7.540 7.540 7.931 -0.391 RESID 138 (P): C 174.700 174.700 176.213 -1.513 RESID 138 (P): CA 64.700 64.700 63.522 1.178 RESID 138 (P): CB 31.610 31.610 31.571 0.039 RESID 139 (T): N 122.000 122.000 119.993 2.007 RESID 139 (T): C 173.900 173.900 173.972 -0.072 RESID 139 (T): CA 61.630 61.630 63.214 -1.584 RESID 139 (T): CB 71.540 71.540 69.666 1.873 RESID 139 (T): H 7.990 7.990 8.175 -0.185 RESID 140 (L): C 174.900 174.900 174.435 0.465 RESID 140 (L): CA 52.740 52.740 53.437 -0.696 RESID 140 (L): CB 46.680 46.680 46.193 0.487 RESID 141 (I): N 123.500 123.500 125.722 -2.222 RESID 141 (I): C 175.700 175.700 174.634 1.066 RESID 141 (I): CA 60.250 60.250 61.158 -0.908 RESID 141 (I): CB 39.590 39.590 38.655 0.935 RESID 141 (I): H 9.345 9.345 7.957 1.388 RESID 142 (I): N 129.000 129.000 126.939 2.061 RESID 142 (I): C 174.400 174.400 174.023 0.377 RESID 142 (I): CA 57.930 57.930 59.932 -2.002 RESID 142 (I): CB 39.690 39.690 42.010 -2.320 RESID 142 (I): H 9.030 9.030 8.938 0.092 RESID 143 (N): N 129.100 129.100 124.176 4.924 RESID 143 (N): C 174.700 174.700 174.278 0.422 RESID 143 (N): CA 51.390 51.390 53.310 -1.920 RESID 143 (N): CB 39.720 39.720 39.634 0.086 RESID 143 (N): H 9.388 9.388 8.669 0.719 RESID 144 (Y): N 119.900 119.900 125.497 -5.597 RESID 144 (Y): C 176.500 176.500 174.712 1.788 RESID 144 (Y): CA 55.820 55.820 59.374 -3.554 RESID 144 (Y): CB 39.120 39.120 39.404 -0.284 RESID 144 (Y): H 8.491 8.491 8.130 0.361 RESID 145 (D): N 125.200 125.200 124.400 0.800 RESID 145 (D): C 176.800 176.800 175.065 1.735 RESID 145 (D): CA 55.220 55.220 55.394 -0.173 RESID 145 (D): CB 43.120 43.120 39.758 3.362 RESID 145 (D): H 8.800 8.800 8.369 0.431 RESID 146 (D): N 119.100 119.100 115.272 3.828 RESID 146 (D): C 175.200 175.200 175.251 -0.051 RESID 146 (D): CA 53.230 53.230 53.573 -0.343 RESID 146 (D): CB 40.760 40.760 42.381 -1.621 RESID 146 (D): H 7.571 7.571 8.643 -1.072 RESID 147 (K): N 114.100 114.100 119.811 -5.711 RESID 147 (K): C 175.000 175.000 175.264 -0.264 RESID 147 (K): CA 54.070 54.070 55.593 -1.523 RESID 147 (K): CB 33.340 33.340 35.178 -1.838 RESID 147 (K): H 7.018 7.018 7.565 -0.547 RESID 148 (S): N 118.300 118.300 118.766 -0.466 RESID 148 (S): C 175.700 175.700 176.102 -0.402 RESID 148 (S): CA 57.120 57.120 57.188 -0.068 RESID 148 (S): CB 64.970 64.970 64.194 0.776 RESID 148 (S): H 8.709 8.709 8.493 0.216 RESID 149 (W): N 121.700 121.700 120.170 1.530 RESID 149 (W): C 179.300 179.300 177.239 2.061 RESID 149 (W): CA 59.890 59.890 58.591 1.299 RESID 149 (W): CB 27.660 27.660 28.369 -0.709 RESID 149 (W): H 8.779 8.779 8.935 -0.156 RESID 150 (Q): N 124.600 124.600 121.360 3.240 RESID 150 (Q): C 178.100 178.100 177.867 0.233 RESID 150 (Q): CA 61.660 61.660 58.284 3.376 RESID 150 (Q): CB 26.550 26.550 27.742 -1.192 RESID 150 (Q): H 8.369 8.369 6.764 1.605 RESID 151 (S): N 117.500 117.500 116.400 1.100 RESID 151 (S): C 177.500 177.500 176.911 0.589 RESID 151 (S): CA 61.760 61.760 61.177 0.583 RESID 151 (S): CB 63.360 63.360 62.653 0.707 RESID 151 (S): H 7.769 7.769 7.638 0.131 RESID 152 (L): N 125.200 125.200 122.666 2.534 RESID 152 (L): C 178.700 178.700 178.144 0.556 RESID 152 (L): CA 58.320 58.320 57.941 0.379 RESID 152 (L): CB 41.980 41.980 41.681 0.298 RESID 152 (L): H 8.460 8.460 8.409 0.051 RESID 153 (L): N 119.200 119.200 118.632 0.568 RESID 153 (L): C 179.700 179.700 178.679 1.021 RESID 153 (L): CA 58.960 58.960 57.545 1.415 RESID 153 (L): CB 41.270 41.270 41.379 -0.109 RESID 153 (L): H 8.562 8.562 7.621 0.941 RESID 154 (T): N 116.300 116.300 112.797 3.503 RESID 154 (T): C 177.200 177.200 176.901 0.299 RESID 154 (T): CA 67.290 67.290 65.967 1.323 RESID 154 (T): CB 68.640 68.640 68.113 0.527 RESID 154 (T): H 8.004 8.004 7.870 0.134 RESID 155 (Q): N 124.500 124.500 121.049 3.451 RESID 155 (Q): C 179.200 179.200 178.032 1.168 RESID 155 (Q): CA 59.710 59.710 58.358 1.352 RESID 155 (Q): CB 28.620 28.620 28.372 0.248 RESID 155 (Q): H 8.230 8.230 7.962 0.268 RESID 156 (L): C 180.900 180.900 179.269 1.631 RESID 156 (L): CA 57.540 57.540 56.920 0.620 RESID 156 (L): CB 41.710 41.710 41.842 -0.132 RESID 157 (G): N 112.800 112.800 106.995 5.805 RESID 157 (G): C 174.500 174.500 175.050 -0.550 RESID 157 (G): CA 48.300 48.300 46.505 1.795 RESID 157 (G): H 9.216 9.216 8.001 1.215 RESID 158 (E): N 123.500 123.500 118.682 4.818 RESID 158 (E): C 177.800 177.800 177.183 0.617 RESID 158 (E): CA 59.120 59.120 57.891 1.229 RESID 158 (E): CB 29.700 29.700 29.397 0.303 RESID 158 (E): H 7.480 7.480 7.464 0.016 RESID 160 (T): C 178.300 178.300 176.027 2.273 RESID 160 (T): CA 61.930 61.930 63.060 -1.130 RESID 160 (T): CB 71.830 71.830 69.164 2.666 RESID 161 (G): N 113.600 113.600 113.892 -0.292 RESID 161 (G): C 174.600 174.600 174.164 0.436 RESID 161 (G): CA 48.130 48.130 46.886 1.244 RESID 161 (G): H 8.114 8.114 8.992 -0.878 RESID 162 (H): N 121.000 121.000 116.019 4.981 RESID 162 (H): C 174.000 174.000 176.165 -2.165 RESID 162 (H): CA 55.370 55.370 55.822 -0.452 RESID 162 (H): CB 28.280 28.280 31.235 -2.955 RESID 162 (H): H 8.506 8.506 7.831 0.675 RESID 163 (E): N 123.900 123.900 122.165 1.735 RESID 163 (E): C 180.800 180.800 178.485 2.315 RESID 163 (E): CA 61.160 61.160 59.742 1.418 RESID 163 (E): CB 28.720 28.720 29.147 -0.427 RESID 163 (E): H 10.300 10.300 8.796 1.504 RESID 164 (K): N 120.600 120.600 120.409 0.191 RESID 164 (K): C 178.700 178.700 178.785 -0.085 RESID 164 (K): CA 59.590 59.590 60.056 -0.466 RESID 164 (K): CB 32.280 32.280 31.974 0.306 RESID 164 (K): H 8.789 8.789 8.393 0.396 RESID 165 (Q): N 119.500 119.500 117.285 2.215 RESID 165 (Q): C 178.800 178.800 178.132 0.668 RESID 165 (Q): CA 60.870 60.870 58.848 2.022 RESID 165 (Q): CB 28.120 28.120 28.382 -0.262 RESID 165 (Q): H 8.058 8.058 8.550 -0.492 RESID 166 (A): N 121.100 121.100 122.416 -1.316 RESID 166 (A): C 178.000 178.000 179.429 -1.429 RESID 166 (A): CA 56.280 56.280 54.954 1.326 RESID 166 (A): CB 18.300 18.300 18.077 0.223 RESID 166 (A): H 7.873 7.873 7.961 -0.088 RESID 167 (A): N 117.900 117.900 120.952 -3.052 RESID 167 (A): C 181.500 181.500 179.612 1.888 RESID 167 (A): CA 55.100 55.100 55.259 -0.159 RESID 167 (A): CB 17.860 17.860 18.171 -0.310 RESID 167 (A): H 7.642 7.642 8.762 -1.120 RESID 168 (E): N 120.100 120.100 118.572 1.528 RESID 168 (E): C 179.600 179.600 179.132 0.468 RESID 168 (E): CA 59.610 59.610 59.618 -0.008 RESID 168 (E): CB 29.790 29.790 29.336 0.454 RESID 168 (E): H 8.230 8.230 7.913 0.317 RESID 170 (I): C 177.700 177.700 177.715 -0.015 RESID 170 (I): CA 66.880 66.880 65.311 1.569 RESID 170 (I): CB 39.310 39.310 37.959 1.351 RESID 171 (A): N 120.700 120.700 123.178 -2.478 RESID 171 (A): C 181.200 181.200 179.839 1.361 RESID 171 (A): CA 55.290 55.290 55.646 -0.356 RESID 171 (A): CB 18.260 18.260 18.113 0.147 RESID 171 (A): H 8.000 8.000 8.779 -0.779 RESID 172 (Q): N 120.600 120.600 118.042 2.558 RESID 172 (Q): C 179.200 179.200 178.588 0.612 RESID 172 (Q): CA 59.210 59.210 58.505 0.705 RESID 172 (Q): CB 28.340 28.340 28.604 -0.264 RESID 172 (Q): H 8.585 8.585 7.945 0.640 RESID 173 (F): N 122.500 122.500 122.587 -0.087 RESID 173 (F): C 176.400 176.400 177.416 -1.016 RESID 173 (F): CA 62.710 62.710 61.106 1.604 RESID 173 (F): CB 39.490 39.490 39.127 0.363 RESID 173 (F): H 8.457 8.457 8.788 -0.331 RESID 174 (D): N 121.000 121.000 120.130 0.870 RESID 174 (D): C 180.300 180.300 178.895 1.405 RESID 174 (D): CA 58.040 58.040 57.502 0.538 RESID 174 (D): CB 40.160 40.160 40.259 -0.099 RESID 174 (D): H 8.771 8.771 9.044 -0.273 RESID 175 (K): N 121.300 121.300 120.212 1.088 RESID 175 (K): C 179.800 179.800 178.635 1.165 RESID 175 (K): CA 59.630 59.630 59.636 -0.006 RESID 175 (K): CB 32.710 32.710 32.396 0.314 RESID 175 (K): H 8.125 8.125 8.196 -0.071 RESID 176 (Q): N 121.600 121.600 119.499 2.101 RESID 176 (Q): C 179.100 179.100 178.334 0.766 RESID 176 (Q): CA 58.460 58.460 58.938 -0.478 RESID 176 (Q): CB 27.990 27.990 28.521 -0.531 RESID 176 (Q): H 8.164 8.164 7.815 0.349 RESID 177 (L): N 125.600 125.600 119.587 6.013 RESID 177 (L): C 178.400 178.400 178.672 -0.272 RESID 177 (L): CA 59.890 59.890 57.237 2.653 RESID 177 (L): CB 41.200 41.200 41.366 -0.166 RESID 177 (L): H 8.944 8.944 7.730 1.214 RESID 178 (A): N 121.500 121.500 122.555 -1.055 RESID 178 (A): C 180.600 180.600 179.233 1.367 RESID 178 (A): CA 55.390 55.390 55.193 0.197 RESID 178 (A): CB 17.970 17.970 17.883 0.087 RESID 178 (A): H 7.690 7.690 8.223 -0.533 RESID 179 (A): N 120.200 120.200 120.986 -0.786 RESID 179 (A): C 180.600 180.600 179.891 0.709 RESID 179 (A): CA 54.860 54.860 54.527 0.333 RESID 179 (A): CB 18.190 18.190 18.594 -0.404 RESID 179 (A): H 7.706 7.706 7.663 0.043 RESID 180 (A): N 121.800 121.800 121.821 -0.021 RESID 180 (A): C 179.200 179.200 179.105 0.095 RESID 180 (A): CA 55.490 55.490 54.742 0.749 RESID 180 (A): CB 17.920 17.920 18.184 -0.265 RESID 180 (A): H 8.171 8.171 7.985 0.186 RESID 181 (K): N 118.100 118.100 117.978 0.122 RESID 181 (K): C 178.000 178.000 178.102 -0.102 RESID 181 (K): CA 59.830 59.830 59.208 0.622 RESID 181 (K): CB 33.340 33.340 32.640 0.700 RESID 181 (K): H 8.342 8.342 8.311 0.031 RESID 182 (E): N 114.400 114.400 116.576 -2.176 RESID 182 (E): C 177.300 177.300 177.435 -0.135 RESID 182 (E): CA 57.870 57.870 57.131 0.739 RESID 182 (E): CB 30.320 30.320 29.241 1.079 RESID 182 (E): H 7.153 7.153 7.749 -0.596 RESID 183 (Q): N 116.700 116.700 117.381 -0.681 RESID 183 (Q): C 177.200 177.200 176.168 1.032 RESID 183 (Q): CA 57.060 57.060 56.821 0.239 RESID 183 (Q): CB 31.550 31.550 31.125 0.424 RESID 183 (Q): H 7.458 7.458 7.631 -0.173 RESID 184 (I): N 117.800 117.800 115.849 1.951 RESID 184 (I): C 175.200 175.200 174.239 0.961 RESID 184 (I): CA 63.000 63.000 59.739 3.261 RESID 184 (I): CB 40.300 40.300 39.965 0.335 RESID 184 (I): H 7.723 7.723 7.424 0.299 RESID 185 (K): N 127.700 127.700 122.713 4.987 RESID 185 (K): C 175.600 175.600 175.326 0.274 RESID 185 (K): CA 54.550 54.550 55.056 -0.506 RESID 185 (K): CB 31.600 31.600 34.358 -2.758 RESID 185 (K): H 8.743 8.743 7.932 0.811 RESID 186 (L): N 124.700 124.700 125.357 -0.657 RESID 186 (L): C 175.700 175.700 175.849 -0.149 RESID 186 (L): CA 54.240 54.240 52.161 2.079 RESID 186 (L): CB 41.050 41.050 40.801 0.249 RESID 186 (L): H 8.051 8.051 8.562 -0.511 RESID 188 (P): C 174.800 174.800 176.254 -1.454 RESID 188 (P): CA 65.060 65.060 63.593 1.467 RESID 188 (P): CB 32.670 32.670 31.678 0.992 RESID 189 (Q): N 121.300 121.300 120.999 0.301 RESID 189 (Q): C 174.800 174.800 172.933 1.867 RESID 189 (Q): CA 52.330 52.330 54.722 -2.392 RESID 189 (Q): CB 31.350 31.350 30.390 0.960 RESID 189 (Q): H 8.061 8.061 8.226 -0.165 RESID 190 (P): C 175.500 175.500 175.561 -0.061 RESID 190 (P): CA 62.820 62.820 62.460 0.360 RESID 190 (P): CB 35.450 35.450 32.822 2.628 RESID 191 (V): N 112.600 112.600 121.594 -8.994 RESID 191 (V): C 174.300 174.300 173.964 0.336 RESID 191 (V): CA 59.740 59.740 59.521 0.219 RESID 191 (V): CB 35.030 35.030 34.688 0.342 RESID 191 (V): H 9.214 9.214 8.488 0.726 RESID 192 (T): N 120.700 120.700 113.309 7.391 RESID 192 (T): C 172.300 172.300 172.087 0.213 RESID 192 (T): CA 63.030 63.030 59.527 3.503 RESID 192 (T): CB 71.550 71.550 71.251 0.299 RESID 192 (T): H 8.462 8.462 8.329 0.133 RESID 193 (A): N 132.900 132.900 122.983 9.917 RESID 193 (A): C 175.400 175.400 175.400 0.000 RESID 193 (A): CA 50.570 50.570 51.133 -0.563 RESID 193 (A): CB 21.140 21.140 21.449 -0.309 RESID 193 (A): H 10.170 10.170 8.564 1.606 RESID 194 (I): N 115.400 115.400 117.497 -2.097 RESID 194 (I): C 176.600 176.600 173.719 2.881 RESID 194 (I): CA 59.540 59.540 59.982 -0.442 RESID 194 (I): CB 43.930 43.930 42.118 1.812 RESID 194 (I): H 9.269 9.269 8.521 0.748 RESID 195 (V): N 118.500 118.500 122.854 -4.354 RESID 195 (V): C 176.200 176.200 174.080 2.120 RESID 195 (V): CA 63.190 63.190 61.397 1.793 RESID 195 (V): CB 34.870 34.870 34.665 0.205 RESID 195 (V): H 8.484 8.484 8.638 -0.154 RESID 196 (Y): N 132.200 132.200 129.508 2.692 RESID 196 (Y): C 174.700 174.700 174.156 0.544 RESID 196 (Y): CA 57.000 57.000 57.413 -0.412 RESID 196 (Y): CB 41.250 41.250 40.188 1.062 RESID 196 (Y): H 9.989 9.989 8.981 1.008 RESID 197 (T): N 124.900 124.900 123.432 1.468 RESID 197 (T): C 174.300 174.300 173.366 0.934 RESID 197 (T): CA 60.740 60.740 60.629 0.111 RESID 197 (T): CB 68.560 68.560 71.606 -3.046 RESID 197 (T): H 8.262 8.262 7.837 0.425 RESID 198 (A): N 130.500 130.500 130.885 -0.385 RESID 198 (A): C 180.400 180.400 179.073 1.327 RESID 198 (A): CA 55.510 55.510 54.298 1.212 RESID 198 (A): CB 18.480 18.480 18.369 0.112 RESID 198 (A): H 8.524 8.524 8.825 -0.301 RESID 199 (A): N 118.700 118.700 123.349 -4.649 RESID 199 (A): C 177.700 177.700 178.742 -1.042 RESID 199 (A): CA 54.350 54.350 54.823 -0.473 RESID 199 (A): CB 18.350 18.350 18.013 0.337 RESID 199 (A): H 8.578 8.578 8.254 0.324 RESID 200 (A): N 116.700 116.700 120.577 -3.877 RESID 200 (A): C 176.600 176.600 177.218 -0.618 RESID 200 (A): CA 51.290 51.290 52.112 -0.822 RESID 200 (A): CB 20.180 20.180 18.837 1.343 RESID 200 (A): H 6.638 6.638 8.077 -1.439 RESID 201 (H): N 116.900 116.900 116.336 0.564 RESID 201 (H): C 172.900 172.900 173.384 -0.484 RESID 201 (H): CA 56.710 56.710 56.307 0.403 RESID 201 (H): CB 27.820 27.820 28.272 -0.452 RESID 201 (H): H 7.569 7.569 7.711 -0.142 RESID 202 (S): N 110.500 110.500 114.555 -4.055 RESID 202 (S): C 171.500 171.500 171.468 0.032 RESID 202 (S): CA 56.530 56.530 57.620 -1.090 RESID 202 (S): CB 66.170 66.170 66.314 -0.144 RESID 202 (S): H 7.109 7.109 7.807 -0.698 RESID 203 (A): N 120.900 120.900 123.859 -2.959 RESID 203 (A): C 174.900 174.900 175.287 -0.387 RESID 203 (A): CA 50.890 50.890 51.437 -0.547 RESID 203 (A): CB 24.510 24.510 22.236 2.274 RESID 203 (A): H 8.618 8.618 8.312 0.306 RESID 204 (N): N 118.900 118.900 118.870 0.030 RESID 204 (N): C 173.300 173.300 173.484 -0.184 RESID 204 (N): CA 51.520 51.520 52.080 -0.560 RESID 204 (N): CB 40.080 40.080 42.125 -2.045 RESID 204 (N): H 8.333 8.333 8.212 0.121 RESID 205 (L): N 127.200 127.200 121.839 5.361 RESID 205 (L): C 175.700 175.700 175.583 0.117 RESID 205 (L): CA 54.920 54.920 54.082 0.838 RESID 205 (L): CB 44.180 44.180 42.597 1.583 RESID 205 (L): H 9.265 9.265 7.615 1.650 RESID 206 (W): N 125.300 125.300 123.691 1.609 RESID 206 (W): C 177.100 177.100 176.444 0.656 RESID 206 (W): CA 56.630 56.630 57.401 -0.771 RESID 206 (W): CB 29.690 29.690 30.814 -1.125 RESID 206 (W): H 8.560 8.560 7.932 0.628 RESID 207 (T): N 112.000 112.000 110.245 1.755 RESID 207 (T): C 176.100 176.100 173.283 2.817 RESID 207 (T): CA 60.120 60.120 59.222 0.898 RESID 207 (T): CB 68.540 68.540 70.410 -1.870 RESID 207 (T): H 8.029 8.029 8.141 -0.112 RESID 208 (P): C 176.000 176.000 176.839 -0.839 RESID 208 (P): CA 66.120 66.120 65.367 0.753 RESID 208 (P): CB 31.950 31.950 32.166 -0.216 RESID 209 (E): N 112.300 112.300 115.054 -2.754 RESID 209 (E): C 177.100 177.100 176.810 0.290 RESID 209 (E): CA 57.280 57.280 57.226 0.054 RESID 209 (E): CB 29.760 29.760 30.153 -0.393 RESID 209 (E): H 7.612 7.612 7.979 -0.367 RESID 210 (S): N 115.800 115.800 115.129 0.671 RESID 210 (S): C 173.900 173.900 175.531 -1.631 RESID 210 (S): CA 58.060 58.060 59.133 -1.073 RESID 210 (S): CB 67.320 67.320 64.484 2.836 RESID 210 (S): H 7.654 7.654 7.435 0.219 RESID 211 (A): N 125.200 125.200 127.496 -2.296 RESID 211 (A): C 180.600 180.600 179.858 0.742 RESID 211 (A): CA 55.410 55.410 55.305 0.105 RESID 211 (A): CB 18.530 18.530 18.760 -0.230 RESID 211 (A): H 8.874 8.874 9.022 -0.148 RESID 212 (Q): N 119.200 119.200 118.657 0.543 RESID 212 (Q): C 177.100 177.100 178.003 -0.903 RESID 212 (Q): CA 61.410 61.410 58.980 2.430 RESID 212 (Q): CB 27.090 27.090 27.403 -0.313 RESID 212 (Q): H 8.493 8.493 8.477 0.016 RESID 213 (G): N 107.500 107.500 107.659 -0.159 RESID 213 (G): C 175.400 175.400 176.326 -0.926 RESID 213 (G): CA 47.520 47.520 46.844 0.676 RESID 213 (G): H 8.053 8.053 8.323 -0.270 RESID 214 (Q): N 120.700 120.700 121.426 -0.726 RESID 214 (Q): C 179.000 179.000 178.374 0.626 RESID 214 (Q): CA 59.150 59.150 58.847 0.303 RESID 214 (Q): CB 29.110 29.110 28.692 0.418 RESID 214 (Q): H 8.501 8.501 8.074 0.427 RESID 215 (M): N 119.200 119.200 120.679 -1.479 RESID 215 (M): C 177.800 177.800 178.155 -0.355 RESID 215 (M): CA 59.760 59.760 59.647 0.113 RESID 215 (M): CB 32.050 32.050 32.827 -0.777 RESID 215 (M): H 7.878 7.878 8.204 -0.326 RESID 216 (L): N 115.800 115.800 118.800 -3.000 RESID 216 (L): C 179.900 179.900 179.029 0.871 RESID 216 (L): CA 58.160 58.160 57.650 0.510 RESID 216 (L): CB 40.010 40.010 41.454 -1.444 RESID 216 (L): H 7.517 7.517 7.996 -0.479 RESID 217 (E): N 121.000 121.000 119.693 1.307 RESID 217 (E): C 182.200 182.200 179.289 2.911 RESID 217 (E): CA 60.210 60.210 58.938 1.272 RESID 217 (E): CB 29.150 29.150 29.419 -0.269 RESID 217 (E): H 8.377 8.377 8.160 0.217 RESID 218 (Q): N 122.300 122.300 117.180 5.120 RESID 218 (Q): C 178.100 178.100 178.910 -0.810 RESID 218 (Q): CA 59.220 59.220 58.283 0.937 RESID 218 (Q): CB 28.850 28.850 29.096 -0.246 RESID 218 (Q): H 8.464 8.464 7.926 0.538 RESID 219 (L): N 118.400 118.400 117.840 0.560 RESID 219 (L): C 175.200 175.200 177.441 -2.241 RESID 219 (L): CA 55.880 55.880 57.265 -1.385 RESID 219 (L): CB 44.330 44.330 42.875 1.455 RESID 219 (L): H 7.433 7.433 7.766 -0.333 RESID 220 (G): N 104.600 104.600 102.695 1.905 RESID 220 (G): C 174.700 174.700 172.908 1.792 RESID 220 (G): CA 44.750 44.750 44.698 0.052 RESID 220 (G): H 7.777 7.777 8.178 -0.401 RESID 221 (F): N 119.100 119.100 118.717 0.383 RESID 221 (F): C 175.200 175.200 174.089 1.111 RESID 221 (F): CA 57.900 57.900 55.991 1.909 RESID 221 (F): CB 38.930 38.930 42.584 -3.654 RESID 221 (F): H 8.001 8.001 7.785 0.216 RESID 222 (T): N 117.600 117.600 116.157 1.443 RESID 222 (T): C 173.900 173.900 173.488 0.412 RESID 222 (T): CA 61.790 61.790 61.305 0.485 RESID 222 (T): CB 71.360 71.360 69.583 1.777 RESID 222 (T): H 8.961 8.961 8.742 0.219 RESID 223 (L): N 128.300 128.300 127.045 1.255 RESID 223 (L): C 178.300 178.300 176.635 1.665 RESID 223 (L): CA 54.760 54.760 53.405 1.355 RESID 223 (L): CB 41.600 41.600 42.743 -1.143 RESID 223 (L): H 9.269 9.269 8.206 1.063 RESID 224 (A): N 126.800 126.800 128.093 -1.293 RESID 224 (A): C 177.400 177.400 175.859 1.541 RESID 224 (A): CA 52.460 52.460 50.982 1.478 RESID 224 (A): CB 18.650 18.650 20.836 -2.186 RESID 224 (A): H 9.077 9.077 8.113 0.964 RESID 225 (K): N 123.400 123.400 121.175 2.225 RESID 225 (K): C 176.800 176.800 176.191 0.609 RESID 225 (K): CA 55.600 55.600 55.589 0.011 RESID 225 (K): CB 33.080 33.080 32.890 0.190 RESID 225 (K): H 8.601 8.601 8.363 0.238 RESID 226 (L): N 126.200 126.200 128.021 -1.821 RESID 226 (L): C 175.500 175.500 175.608 -0.108 RESID 226 (L): CA 53.420 53.420 53.929 -0.509 RESID 226 (L): CB 41.720 41.720 41.244 0.476 RESID 226 (L): H 8.634 8.634 8.519 0.115 RESID 227 (P): C 176.800 176.800 177.057 -0.257 RESID 227 (P): CA 62.860 62.860 62.897 -0.036 RESID 227 (P): CB 32.360 32.360 32.185 0.175 RESID 228 (A): N 124.900 124.900 124.808 0.092 RESID 228 (A): C 179.500 179.500 178.440 1.060 RESID 228 (A): CA 54.120 54.120 53.375 0.745 RESID 228 (A): CB 18.710 18.710 18.700 0.010 RESID 228 (A): H 8.412 8.412 8.507 -0.095 RESID 229 (G): N 107.700 107.700 107.469 0.231 RESID 229 (G): C 175.000 175.000 175.987 -0.987 RESID 229 (G): CA 46.040 46.040 45.421 0.619 RESID 229 (G): H 8.565 8.565 8.087 0.478 RESID 230 (L): N 121.100 121.100 122.347 -1.247 RESID 230 (L): C 176.900 176.900 178.314 -1.414 RESID 230 (L): CA 55.620 55.620 55.495 0.125 RESID 230 (L): CB 42.630 42.630 41.684 0.946 RESID 230 (L): H 7.454 7.454 7.888 -0.434 RESID 231 (N): N 119.400 119.400 119.862 -0.462 RESID 231 (N): C 175.300 175.300 175.882 -0.582 RESID 231 (N): CA 53.650 53.650 56.109 -2.459 RESID 231 (N): CB 38.940 38.940 37.984 0.956 RESID 231 (N): H 8.211 8.211 8.048 0.163 RESID 232 (A): N 124.500 124.500 119.541 4.959 RESID 232 (A): C 178.100 178.100 178.024 0.076 RESID 232 (A): CA 53.110 53.110 51.654 1.456 RESID 232 (A): CB 19.340 19.340 18.008 1.332 RESID 232 (A): H 8.103 8.103 7.922 0.181 RESID 233 (S): N 115.200 115.200 115.282 -0.082 RESID 233 (S): C 175.100 175.100 175.587 -0.487 RESID 233 (S): CA 59.280 59.280 61.039 -1.759 RESID 233 (S): CB 64.280 64.280 63.337 0.944 RESID 233 (S): H 8.169 8.169 8.452 -0.283 RESID 234 (Q): N 122.100 122.100 120.640 1.460 RESID 234 (Q): C 176.400 176.400 175.702 0.698 RESID 234 (Q): CA 56.240 56.240 56.081 0.159 RESID 234 (Q): CB 29.490 29.490 30.793 -1.303 RESID 234 (Q): H 8.230 8.230 7.800 0.430 RESID 235 (S): N 117.100 117.100 118.073 -0.973 RESID 235 (S): C 174.900 174.900 174.643 0.257 RESID 235 (S): CA 58.910 58.910 58.868 0.042 RESID 235 (S): CB 64.510 64.510 62.902 1.608 RESID 235 (S): H 8.229 8.229 8.441 -0.212 RESID 236 (Q): N 122.300 122.300 127.154 -4.854 RESID 236 (Q): C 176.700 176.700 175.442 1.258 RESID 236 (Q): CA 56.610 56.610 55.491 1.119 RESID 236 (Q): CB 29.280 29.280 27.643 1.637 RESID 236 (Q): H 8.372 8.372 8.869 -0.497 RESID 237 (G): N 110.400 110.400 109.015 1.385 RESID 237 (G): C 174.100 174.100 172.959 1.141 RESID 237 (G): CA 45.720 45.720 45.471 0.249 RESID 237 (G): H 8.381 8.381 7.583 0.798 RESID 238 (K): N 120.500 120.500 121.514 -1.014 RESID 238 (K): C 176.600 176.600 175.501 1.099 RESID 238 (K): CA 56.490 56.490 55.984 0.506 RESID 238 (K): CB 33.320 33.320 32.770 0.550 RESID 238 (K): H 7.968 7.968 8.362 -0.394 RESID 239 (R): N 120.900 120.900 124.950 -4.050 RESID 239 (R): CA 56.130 56.130 55.944 0.186 RESID 239 (R): CB 31.560 31.560 30.897 0.663 RESID 239 (R): H 8.159 8.159 8.505 -0.346 RESID 240 (H): C 174.800 174.800 176.548 -1.748 RESID 240 (H): CA 55.740 55.740 58.612 -2.872 RESID 240 (H): CB 29.760 29.760 30.056 -0.296 RESID 241 (D): N 119.800 119.800 119.222 0.578 RESID 241 (D): C 174.700 174.700 176.288 -1.588 RESID 241 (D): CA 55.500 55.500 56.021 -0.521 RESID 241 (D): CB 40.550 40.550 41.233 -0.683 RESID 241 (D): H 9.052 9.052 8.398 0.654 RESID 242 (I): N 115.200 115.200 114.898 0.302 RESID 242 (I): C 175.600 175.600 174.383 1.217 RESID 242 (I): CA 59.090 59.090 59.379 -0.289 RESID 242 (I): CB 43.670 43.670 40.929 2.741 RESID 242 (I): H 7.087 7.087 7.410 -0.323 RESID 243 (I): N 125.100 125.100 125.888 -0.788 RESID 243 (I): C 175.300 175.300 174.266 1.034 RESID 243 (I): CA 60.340 60.340 60.654 -0.314 RESID 243 (I): CB 41.290 41.290 38.340 2.950 RESID 243 (I): H 8.746 8.746 8.553 0.193 RESID 244 (Q): N 128.400 128.400 127.510 0.890 RESID 244 (Q): C 175.300 175.300 174.258 1.042 RESID 244 (Q): CA 56.460 56.460 54.925 1.535 RESID 244 (Q): CB 29.800 29.800 29.827 -0.027 RESID 244 (Q): H 8.768 8.768 8.593 0.175 RESID 245 (L): N 125.500 125.500 123.524 1.976 RESID 245 (L): C 176.200 176.200 176.616 -0.416 RESID 245 (L): CA 53.790 53.790 53.117 0.673 RESID 245 (L): CB 45.100 45.100 44.854 0.246 RESID 245 (L): H 8.640 8.640 8.362 0.278 RESID 246 (G): N 109.700 109.700 105.044 4.656 RESID 246 (G): C 174.200 174.200 174.327 -0.127 RESID 246 (G): CA 44.590 44.590 45.016 -0.426 RESID 246 (G): H 8.424 8.424 8.440 -0.016 RESID 247 (G): N 108.500 108.500 108.639 -0.139 RESID 247 (G): C 176.800 176.800 174.983 1.817 RESID 247 (G): CA 47.500 47.500 44.348 3.152 RESID 247 (G): H 8.666 8.666 7.734 0.932 RESID 248 (E): N 123.700 123.700 121.096 2.604 RESID 248 (E): C 177.300 177.300 176.533 0.767 RESID 248 (E): CA 58.560 58.560 57.475 1.085 RESID 248 (E): CB 29.330 29.330 29.314 0.016 RESID 248 (E): H 9.265 9.265 8.802 0.463 RESID 249 (N): N 116.700 116.700 116.241 0.459 RESID 249 (N): C 175.500 175.500 175.976 -0.476 RESID 249 (N): CA 53.490 53.490 53.745 -0.255 RESID 249 (N): CB 39.390 39.390 38.646 0.744 RESID 249 (N): H 7.963 7.963 7.506 0.457 RESID 250 (L): N 121.100 121.100 119.943 1.157 RESID 250 (L): C 177.100 177.100 178.088 -0.988 RESID 250 (L): CA 58.810 58.810 56.960 1.850 RESID 250 (L): CB 42.220 42.220 41.462 0.759 RESID 250 (L): H 7.104 7.104 7.774 -0.670 RESID 251 (A): N 117.400 117.400 122.493 -5.093 RESID 251 (A): C 179.500 179.500 178.161 1.339 RESID 251 (A): CA 55.340 55.340 54.652 0.688 RESID 251 (A): CB 17.960 17.960 18.393 -0.433 RESID 251 (A): H 8.141 8.141 8.311 -0.170 RESID 252 (A): N 117.400 117.400 118.620 -1.220 RESID 252 (A): C 179.100 179.100 178.317 0.783 RESID 252 (A): CA 53.990 53.990 52.369 1.621 RESID 252 (A): CB 18.970 18.970 18.981 -0.011 RESID 252 (A): H 7.375 7.375 8.408 -1.033 RESID 253 (G): N 100.600 100.600 107.908 -7.308 RESID 253 (G): C 172.700 172.700 174.800 -2.100 RESID 253 (G): CA 45.380 45.380 45.019 0.361 RESID 253 (G): H 7.589 7.589 7.578 0.011 RESID 254 (L): N 124.800 124.800 122.846 1.954 RESID 254 (L): C 175.300 175.300 177.576 -2.276 RESID 254 (L): CA 53.020 53.020 54.869 -1.849 RESID 254 (L): CB 39.090 39.090 42.104 -3.014 RESID 254 (L): H 7.202 7.202 7.773 -0.571 RESID 255 (N): N 113.800 113.800 121.922 -8.122 RESID 255 (N): C 176.600 176.600 176.069 0.531 RESID 255 (N): CA 53.420 53.420 53.805 -0.385 RESID 255 (N): CB 37.600 37.600 38.790 -1.190 RESID 255 (N): H 7.701 7.701 8.906 -1.205 RESID 256 (G): N 109.100 109.100 106.637 2.463 RESID 256 (G): C 172.200 172.200 174.592 -2.392 RESID 256 (G): CA 45.790 45.790 45.327 0.463 RESID 256 (G): H 7.856 7.856 8.552 -0.696 RESID 257 (E): N 120.100 120.100 118.299 1.801 RESID 257 (E): C 176.900 176.900 175.576 1.324 RESID 257 (E): CA 57.880 57.880 56.562 1.318 RESID 257 (E): CB 29.760 29.760 30.480 -0.720 RESID 257 (E): H 8.443 8.443 8.660 -0.217 RESID 258 (S): N 107.500 107.500 113.399 -5.899 RESID 258 (S): C 172.500 172.500 172.540 -0.040 RESID 258 (S): CA 58.010 58.010 59.013 -1.003 RESID 258 (S): CB 66.360 66.360 63.880 2.480 RESID 258 (S): H 7.176 7.176 7.943 -0.767 RESID 259 (L): N 124.900 124.900 127.764 -2.864 RESID 259 (L): C 173.900 173.900 176.396 -2.496 RESID 259 (L): CA 53.630 53.630 54.550 -0.920 RESID 259 (L): CB 46.240 46.240 42.503 3.737 RESID 259 (L): H 8.969 8.969 8.020 0.949 RESID 260 (F): N 123.700 123.700 122.989 0.711 RESID 260 (F): C 174.200 174.200 176.029 -1.829 RESID 260 (F): CA 56.460 56.460 54.945 1.515 RESID 260 (F): CB 41.560 41.560 40.507 1.053 RESID 260 (F): H 9.295 9.295 8.140 1.155 RESID 261 (L): N 123.900 123.900 120.115 3.785 RESID 261 (L): C 177.600 177.600 177.075 0.525 RESID 261 (L): CA 54.010 54.010 53.191 0.819 RESID 261 (L): CB 41.470 41.470 45.519 -4.049 RESID 261 (L): H 9.034 9.034 8.182 0.852 RESID 262 (F): N 123.800 123.800 122.225 1.575 RESID 262 (F): C 175.500 175.500 175.811 -0.311 RESID 262 (F): CA 58.850 58.850 56.931 1.919 RESID 262 (F): CB 39.930 39.930 38.516 1.414 RESID 262 (F): H 9.338 9.338 9.104 0.234 RESID 263 (A): N 121.900 121.900 124.102 -2.202 RESID 263 (A): C 175.300 175.300 177.034 -1.734 RESID 263 (A): CA 53.630 53.630 52.684 0.945 RESID 263 (A): CB 19.700 19.700 16.825 2.875 RESID 263 (A): H 8.902 8.902 8.309 0.593 RESID 264 (G): N 104.500 104.500 111.605 -7.105 RESID 264 (G): C 171.100 171.100 172.732 -1.632 RESID 264 (G): CA 45.540 45.540 45.041 0.499 RESID 264 (G): H 6.746 6.746 7.867 -1.121 RESID 265 (D): N 122.300 122.300 122.618 -0.318 RESID 265 (D): C 177.300 177.300 177.271 0.029 RESID 265 (D): CA 51.660 51.660 52.791 -1.131 RESID 265 (D): CB 42.840 42.840 42.241 0.599 RESID 265 (D): H 9.052 9.052 8.123 0.929 RESID 266 (Q): N 118.400 118.400 119.595 -1.195 RESID 266 (Q): C 177.600 177.600 177.450 0.150 RESID 266 (Q): CA 58.620 58.620 59.057 -0.437 RESID 266 (Q): CB 28.490 28.490 28.647 -0.157 RESID 266 (Q): H 8.277 8.277 8.604 -0.327 RESID 267 (K): N 117.700 117.700 118.780 -1.080 RESID 267 (K): C 180.400 180.400 178.078 2.322 RESID 267 (K): CA 59.390 59.390 59.541 -0.151 RESID 267 (K): CB 31.440 31.440 31.783 -0.343 RESID 267 (K): H 7.879 7.879 7.915 -0.036 RESID 268 (D): N 121.600 121.600 119.651 1.949 RESID 268 (D): C 177.400 177.400 178.340 -0.940 RESID 268 (D): CA 57.980 57.980 56.971 1.009 RESID 268 (D): CB 41.550 41.550 40.252 1.298 RESID 268 (D): H 7.640 7.640 8.110 -0.470 RESID 269 (A): N 121.700 121.700 121.500 0.200 RESID 269 (A): C 179.000 179.000 178.418 0.582 RESID 269 (A): CA 55.640 55.640 54.933 0.707 RESID 269 (A): CB 17.490 17.490 18.192 -0.702 RESID 269 (A): H 7.370 7.370 7.618 -0.248 RESID 270 (D): N 118.200 118.200 117.934 0.266 RESID 270 (D): C 179.300 179.300 176.516 2.784 RESID 270 (D): CA 57.570 57.570 56.318 1.252 RESID 270 (D): CB 39.860 39.860 40.241 -0.381 RESID 270 (D): H 8.735 8.735 7.950 0.785 RESID 271 (A): N 122.900 122.900 119.871 3.029 RESID 271 (A): C 180.800 180.800 179.329 1.471 RESID 271 (A): CA 55.040 55.040 53.570 1.470 RESID 271 (A): CB 18.300 18.300 19.316 -1.016 RESID 271 (A): H 7.579 7.579 7.042 0.537 RESID 272 (I): N 0.000 0.000 120.466 -120.466 RESID 272 (I): C 178.300 178.300 176.961 1.339 RESID 272 (I): CA 63.880 63.880 64.663 -0.783 RESID 272 (I): CB 35.710 35.710 38.129 -2.419 RESID 272 (I): H 7.340 7.340 8.392 -1.052 RESID 273 (Y): N 116.300 116.300 116.990 -0.690 RESID 273 (Y): C 177.000 177.000 176.794 0.206 RESID 273 (Y): CA 61.100 61.100 58.290 2.810 RESID 273 (Y): CB 37.770 37.770 35.834 1.937 RESID 273 (Y): H 7.509 7.509 7.292 0.217 RESID 274 (A): N 118.600 118.600 121.843 -3.243 RESID 274 (A): C 177.200 177.200 177.188 0.012 RESID 274 (A): CA 52.030 52.030 53.011 -0.981 RESID 274 (A): CB 19.580 19.580 19.409 0.171 RESID 274 (A): H 7.495 7.495 7.841 -0.346 RESID 275 (N): N 119.900 119.900 118.239 1.661 RESID 275 (N): C 175.700 175.700 174.015 1.685 RESID 275 (N): CA 51.030 51.030 51.368 -0.338 RESID 275 (N): CB 38.590 38.590 37.036 1.554 RESID 275 (N): H 7.200 7.200 7.960 -0.760 RESID 276 (P): C 178.900 178.900 178.498 0.402 RESID 276 (P): CA 65.190 65.190 65.465 -0.275 RESID 276 (P): CB 32.440 32.440 32.041 0.399 RESID 277 (L): N 116.700 116.700 117.413 -0.713 RESID 277 (L): C 178.000 178.000 178.905 -0.905 RESID 277 (L): CA 56.630 56.630 57.545 -0.915 RESID 277 (L): CB 41.720 41.720 41.509 0.211 RESID 277 (L): H 7.777 7.777 7.927 -0.150 RESID 278 (L): N 115.100 115.100 116.564 -1.464 RESID 278 (L): C 176.600 176.600 177.858 -1.258 RESID 278 (L): CA 53.200 53.200 54.915 -1.715 RESID 278 (L): CB 40.960 40.960 41.304 -0.344 RESID 278 (L): H 7.485 7.485 7.683 -0.198 RESID 279 (A): N 118.600 118.600 123.112 -4.512 RESID 279 (A): C 177.700 177.700 177.807 -0.107 RESID 279 (A): CA 55.090 55.090 54.368 0.722 RESID 279 (A): CB 19.710 19.710 18.603 1.107 RESID 279 (A): H 6.665 6.665 7.899 -1.234 RESID 280 (H): N 111.600 111.600 115.292 -3.692 RESID 280 (H): C 175.500 175.500 175.205 0.295 RESID 280 (H): CA 55.360 55.360 56.245 -0.885 RESID 280 (H): CB 29.540 29.540 28.639 0.901 RESID 280 (H): H 8.337 8.337 8.199 0.138 RESID 281 (L): N 124.100 124.100 122.519 1.581 RESID 281 (L): C 176.300 176.300 175.874 0.426 RESID 281 (L): CA 53.330 53.330 52.969 0.361 RESID 281 (L): CB 40.490 40.490 41.952 -1.462 RESID 281 (L): H 7.289 7.289 7.443 -0.154 RESID 282 (P): C 178.200 178.200 178.377 -0.177 RESID 282 (P): CA 66.050 66.050 65.686 0.364 RESID 282 (P): CB 32.150 32.150 31.724 0.426 RESID 283 (A): N 116.000 116.000 119.203 -3.203 RESID 283 (A): C 179.000 179.000 179.828 -0.828 RESID 283 (A): CA 55.630 55.630 55.193 0.437 RESID 283 (A): CB 19.490 19.490 18.186 1.304 RESID 283 (A): H 7.969 7.969 8.425 -0.456 RESID 284 (V): N 115.200 115.200 118.513 -3.313 RESID 284 (V): C 180.000 180.000 178.930 1.070 RESID 284 (V): CA 65.640 65.640 65.895 -0.255 RESID 284 (V): CB 32.560 32.560 30.826 1.734 RESID 284 (V): H 6.557 6.557 7.683 -1.125 RESID 285 (Q): N 121.200 121.200 120.454 0.746 RESID 285 (Q): C 178.000 178.000 177.656 0.344 RESID 285 (Q): CA 59.500 59.500 58.803 0.697 RESID 285 (Q): CB 29.080 29.080 28.605 0.475 RESID 285 (Q): H 8.581 8.581 7.832 0.749 RESID 286 (N): N 112.600 112.600 113.980 -1.380 RESID 286 (N): C 174.500 174.500 173.858 0.642 RESID 286 (N): CA 53.160 53.160 52.724 0.436 RESID 286 (N): CB 38.390 38.390 38.736 -0.346 RESID 286 (N): H 8.117 8.117 8.036 0.081 RESID 287 (K): N 118.500 118.500 115.877 2.623 RESID 287 (K): C 176.100 176.100 176.226 -0.126 RESID 287 (K): CA 57.540 57.540 57.307 0.233 RESID 287 (K): CB 28.570 28.570 29.524 -0.954 RESID 287 (K): H 7.724 7.724 7.705 0.019 RESID 288 (Q): N 119.700 119.700 117.151 2.549 RESID 288 (Q): C 173.700 173.700 174.071 -0.371 RESID 288 (Q): CA 52.970 52.970 54.842 -1.871 RESID 288 (Q): CB 28.640 28.640 28.987 -0.347 RESID 288 (Q): H 8.895 8.895 8.435 0.460 RESID 289 (V): N 119.200 119.200 118.618 0.582 RESID 289 (V): C 175.100 175.100 175.159 -0.059 RESID 289 (V): CA 61.600 61.600 61.114 0.486 RESID 289 (V): CB 32.610 32.610 34.015 -1.405 RESID 289 (V): H 6.246 6.246 6.907 -0.661 RESID 290 (Y): N 125.700 125.700 124.700 1.000 RESID 290 (Y): C 174.100 174.100 174.380 -0.280 RESID 290 (Y): CA 56.830 56.830 56.642 0.188 RESID 290 (Y): CB 40.950 40.950 42.369 -1.419 RESID 290 (Y): H 8.682 8.682 9.052 -0.370 RESID 291 (A): N 126.900 126.900 121.965 4.935 RESID 291 (A): C 178.300 178.300 176.792 1.508 RESID 291 (A): CA 51.560 51.560 50.362 1.198 RESID 291 (A): CB 19.670 19.670 21.251 -1.581 RESID 291 (A): H 9.057 9.057 8.646 0.411 RESID 292 (L): N 120.800 120.800 119.758 1.042 RESID 292 (L): C 175.500 175.500 176.226 -0.726 RESID 292 (L): CA 54.880 54.880 54.232 0.648 RESID 292 (L): CB 42.490 42.490 42.276 0.214 RESID 292 (L): H 8.342 8.342 8.929 -0.587 RESID 293 (G): N 107.500 107.500 103.888 3.612 RESID 293 (G): C 177.600 177.600 174.135 3.465 RESID 293 (G): CA 45.110 45.110 44.438 0.672 RESID 293 (G): H 7.973 7.973 7.396 0.577 RESID 294 (T): N 117.800 117.800 116.759 1.041 RESID 294 (T): C 176.400 176.400 176.014 0.386 RESID 294 (T): CA 65.260 65.260 65.273 -0.013 RESID 294 (T): CB 68.310 68.310 69.153 -0.843 RESID 294 (T): H 8.808 8.808 8.583 0.225 RESID 295 (E): N 122.100 122.100 119.886 2.214 RESID 295 (E): C 177.700 177.700 176.597 1.103 RESID 295 (E): CA 58.540 58.540 58.343 0.197 RESID 295 (E): CB 29.010 29.010 28.770 0.239 RESID 295 (E): H 10.380 10.380 8.840 1.540 RESID 296 (T): N 103.000 103.000 108.669 -5.669 RESID 296 (T): C 173.600 173.600 174.355 -0.755 RESID 296 (T): CA 62.320 62.320 61.227 1.093 RESID 296 (T): CB 69.170 69.170 67.767 1.403 RESID 296 (T): H 7.062 7.062 7.908 -0.846 RESID 297 (F): N 121.500 121.500 123.090 -1.590 RESID 297 (F): C 174.500 174.500 175.875 -1.375 RESID 297 (F): CA 61.700 61.700 61.018 0.682 RESID 297 (F): CB 39.640 39.640 39.781 -0.141 RESID 297 (F): H 8.108 8.108 7.822 0.286 RESID 298 (R): N 116.800 116.800 119.648 -2.848 RESID 298 (R): C 176.000 176.000 175.095 0.905 RESID 298 (R): CA 54.160 54.160 55.726 -1.566 RESID 298 (R): CB 32.460 32.460 31.138 1.322 RESID 298 (R): H 7.552 7.552 8.237 -0.685 RESID 299 (L): N 125.500 125.500 126.116 -0.616 RESID 299 (L): C 174.800 174.800 174.598 0.202 RESID 299 (L): CA 54.300 54.300 54.259 0.041 RESID 299 (L): CB 41.670 41.670 43.758 -2.088 RESID 299 (L): H 8.903 8.903 8.420 0.483 RESID 300 (D): N 124.600 124.600 124.156 0.444 RESID 300 (D): C 173.400 173.400 175.580 -2.180 RESID 300 (D): CA 51.880 51.880 53.214 -1.334 RESID 300 (D): CB 43.230 43.230 42.526 0.704 RESID 300 (D): H 7.735 7.735 8.731 -0.996 RESID 301 (Y): N 118.100 118.100 121.444 -3.344 RESID 301 (Y): C 175.300 175.300 176.181 -0.881 RESID 301 (Y): CA 61.650 61.650 63.327 -1.677 RESID 301 (Y): CB 38.740 38.740 38.719 0.021 RESID 301 (Y): H 7.943 7.943 9.008 -1.065 RESID 302 (Y): N 112.300 112.300 115.914 -3.614 RESID 302 (Y): C 180.800 180.800 177.712 3.088 RESID 302 (Y): CA 61.970 61.970 60.877 1.093 RESID 302 (Y): CB 37.990 37.990 38.102 -0.112 RESID 302 (Y): H 7.309 7.309 8.091 -0.782 RESID 303 (S): N 119.100 119.100 115.498 3.602 RESID 303 (S): C 176.300 176.300 176.565 -0.265 RESID 303 (S): CA 60.690 60.690 61.301 -0.611 RESID 303 (S): CB 63.180 63.180 62.980 0.200 RESID 303 (S): H 9.411 9.411 9.507 -0.096 RESID 304 (A): N 126.900 126.900 125.595 1.305 RESID 304 (A): C 180.400 180.400 179.436 0.964 RESID 304 (A): CA 56.000 56.000 54.929 1.071 RESID 304 (A): CB 18.040 18.040 17.957 0.083 RESID 304 (A): H 8.860 8.860 7.866 0.994 RESID 305 (M): N 116.600 116.600 118.018 -1.418 RESID 305 (M): C 179.300 179.300 178.882 0.418 RESID 305 (M): CA 57.880 57.880 59.776 -1.896 RESID 305 (M): CB 31.350 31.350 32.397 -1.047 RESID 305 (M): H 7.346 7.346 7.503 -0.157 RESID 306 (Q): N 119.300 119.300 118.837 0.463 RESID 306 (Q): C 179.000 179.000 178.838 0.162 RESID 306 (Q): CA 59.410 59.410 58.888 0.522 RESID 306 (Q): CB 28.450 28.450 28.828 -0.378 RESID 306 (Q): H 7.633 7.633 7.861 -0.228 RESID 308 (L): C 178.700 178.700 178.483 0.217 RESID 308 (L): CA 58.690 58.690 58.410 0.280 RESID 308 (L): CB 41.790 41.790 41.381 0.409 RESID 309 (D): N 119.100 119.100 119.093 0.007 RESID 309 (D): C 179.600 179.600 178.887 0.713 RESID 309 (D): CA 57.830 57.830 57.562 0.268 RESID 309 (D): CB 40.820 40.820 40.330 0.490 RESID 309 (D): H 7.984 7.984 8.053 -0.069 RESID 310 (R): N 121.700 121.700 120.590 1.110 RESID 310 (R): C 178.900 178.900 178.728 0.172 RESID 310 (R): CA 58.590 58.590 59.188 -0.598 RESID 310 (R): CB 29.820 29.820 30.151 -0.331 RESID 310 (R): H 8.463 8.463 7.598 0.865 RESID 311 (L): N 119.200 119.200 119.929 -0.729 RESID 311 (L): C 178.800 178.800 178.734 0.066 RESID 311 (L): CA 58.380 58.380 58.103 0.277 RESID 311 (L): CB 42.340 42.340 41.835 0.505 RESID 311 (L): H 8.489 8.489 8.300 0.189 RESID 312 (K): N 116.500 116.500 118.757 -2.257 RESID 312 (K): C 178.000 178.000 178.411 -0.411 RESID 312 (K): CA 59.250 59.250 59.181 0.069 RESID 312 (K): CB 32.440 32.440 32.495 -0.055 RESID 312 (K): H 7.955 7.955 8.203 -0.248 RESID 313 (A): N 119.500 119.500 120.741 -1.241 RESID 313 (A): C 180.000 180.000 178.679 1.321 RESID 313 (A): CA 53.920 53.920 53.295 0.625 RESID 313 (A): CB 18.800 18.800 19.245 -0.445 RESID 313 (A): H 7.427 7.427 7.738 -0.311 RESID 314 (L): N 119.500 119.500 119.146 0.354 RESID 314 (L): C 177.400 177.400 176.438 0.962 RESID 314 (L): CA 56.770 56.770 57.227 -0.457 RESID 314 (L): CB 43.730 43.730 42.348 1.382 RESID 314 (L): H 7.431 7.431 8.134 -0.703 N HA C CA CB H RESID 26 (W): -3.319 ----- -0.881 0.409 3.281 0.088 RESID 27 (P): ----- ----- -0.020 -0.304 4.928 ----- RESID 28 (R): -3.813 ----- -1.408 0.730 0.759 0.090 RESID 29 (Q): -0.793 ----- 0.567 -1.294 1.440 -0.083 RESID 30 (I): -1.732 ----- 0.601 -0.897 -0.535 1.056 RESID 31 (T): 3.251 ----- 0.701 -1.339 1.054 0.583 RESID 32 (D): 5.761 ----- 1.440 0.724 -0.613 1.437 RESID 33 (S): -4.428 ----- -0.433 0.425 -0.436 -0.202 RESID 34 (R): -2.532 ----- -0.812 -3.525 0.126 0.590 RESID 35 (G): 5.145 ----- -2.294 -0.495 ----- -0.769 RESID 36 (T): 0.475 ----- 0.961 0.062 -0.169 0.535 RESID 37 (H): 0.476 ----- 0.723 -1.325 -2.062 0.358 RESID 38 (T): 4.064 ----- 1.310 2.067 -1.250 1.495 RESID 39 (L): 7.168 ----- 0.040 0.516 -0.969 0.446 RESID 40 (E): -1.590 ----- -0.329 0.279 0.492 0.126 RESID 41 (S): -1.735 ----- -1.469 -0.874 0.598 -0.159 RESID 42 (Q): 3.286 ----- -0.142 -2.057 0.564 -1.275 RESID 43 (P): ----- ----- -0.165 0.694 0.099 ----- RESID 44 (Q): 2.635 ----- -0.652 -1.469 2.795 2.630 RESID 45 (R): 8.270 ----- 0.520 0.101 -0.182 2.438 RESID 47 (V): ----- ----- 0.341 -0.276 -0.168 ----- RESID 48 (S): -1.884 ----- 1.875 -1.843 -1.104 -0.632 RESID 49 (T): 4.265 ----- -2.878 0.957 -0.358 -0.349 RESID 50 (S): -0.501 ----- -0.570 -2.087 -0.007 -0.101 RESID 51 (V): 4.911 ----- -2.721 -0.247 -0.115 0.150 RESID 52 (T): 0.572 ----- 3.169 1.159 0.564 -0.186 RESID 53 (L): 1.115 ----- 0.300 -0.752 0.803 -0.521 RESID 54 (T): 1.777 ----- -1.737 -0.658 ----- -0.097 RESID 55 (G): -3.702 ----- -0.201 0.292 ----- -1.280 RESID 56 (S): -0.766 ----- -1.157 1.906 1.961 -1.238 RESID 58 (L): ----- ----- 1.773 -0.304 -0.135 ----- RESID 59 (A): -0.707 ----- -0.275 0.755 -0.302 -0.273 RESID 60 (I): ----- ----- -1.540 0.164 0.428 ----- RESID 61 (D): -2.444 ----- 0.224 0.055 -0.024 0.001 RESID 62 (A): -3.125 ----- 2.679 -0.848 -1.631 0.092 RESID 63 (P): ----- ----- -2.112 0.614 -4.691 ----- RESID 64 (V): 3.882 ----- -0.909 -1.428 -0.768 0.435 RESID 65 (I): -4.444 ----- 1.554 -3.026 1.262 0.215 RESID 66 (A): 4.226 ----- -0.145 0.711 1.471 -0.451 RESID 67 (S): -5.134 ----- 2.300 -2.056 -2.427 0.231 RESID 68 (G): 5.655 ----- -1.603 2.087 ----- -1.112 RESID 69 (A): -3.640 ----- 2.673 -1.170 2.075 -0.803 RESID 70 (T): 5.432 ----- -2.723 -3.138 1.150 1.029 RESID 71 (T): -5.418 ----- -0.414 0.056 1.559 -0.791 RESID 72 (P): ----- ----- 0.961 -0.177 0.720 ----- RESID 73 (N): -4.606 ----- -1.623 0.753 -1.466 -0.708 RESID 74 (N): ----- ----- -1.157 5.008 0.359 ----- RESID 75 (R): -6.324 ----- -0.160 1.077 1.047 -0.288 RESID 76 (V): -10.281 ----- 0.057 -2.907 2.052 -0.825 RESID 77 (A): 5.918 ----- -1.072 -1.028 5.111 0.723 RESID 78 (D): 1.796 ----- 2.213 -0.947 0.361 0.431 RESID 79 (D): 0.876 ----- 0.277 1.053 0.863 -0.167 RESID 80 (Q): -4.352 ----- -1.188 -1.527 2.385 -0.181 RESID 81 (G): 0.015 ----- 0.855 0.951 ----- -0.651 RESID 82 (F): 0.613 ----- -0.440 -4.259 -2.626 0.296 RESID 83 (L): ----- ----- 0.975 0.329 -3.484 ----- RESID 84 (R): 0.373 ----- 0.780 3.522 1.648 -0.685 RESID 85 (Q): -2.618 ----- -2.662 0.203 -3.179 1.872 RESID 86 (W): -6.527 ----- -1.798 -5.109 -2.064 -1.960 RESID 87 (S): 3.775 ----- 1.473 0.501 ----- -1.284 RESID 88 (K): -3.938 ----- 0.180 0.470 -0.090 0.985 RESID 89 (V): 6.350 ----- 0.810 0.075 0.501 -0.728 RESID 90 (A): -0.416 ----- 1.093 1.377 1.434 0.686 RESID 91 (K): -0.412 ----- 3.031 1.007 -0.002 -0.250 RESID 92 (E): 5.043 ----- 1.503 2.296 -0.658 0.484 RESID 93 (R): -3.133 ----- 0.320 0.792 -1.521 -0.270 RESID 94 (K): 0.987 ----- 0.568 -0.656 -1.498 -0.685 RESID 95 (L): -1.804 ----- 0.342 0.902 1.146 0.043 RESID 96 (Q): 0.592 ----- -1.205 0.692 0.263 -0.884 RESID 97 (R): 6.401 ----- 0.589 -0.982 1.626 0.498 RESID 98 (L): 3.421 ----- -0.424 2.389 3.368 -0.451 RESID 99 (Y): -2.061 ----- -1.398 -0.824 -0.989 -1.354 RESID 100 (I): -4.353 ----- -0.304 -1.449 3.107 -0.101 RESID 101 (G): 1.008 ----- -0.608 2.217 ----- -0.250 RESID 102 (E): 10.922 ----- -0.770 0.466 2.043 0.292 RESID 103 (P): ----- ----- -0.841 -1.371 -0.090 ----- RESID 104 (S): -5.185 ----- 0.146 -3.173 -0.057 -2.565 RESID 105 (A): 0.241 ----- 0.351 0.755 -0.902 0.331 RESID 106 (E): 0.384 ----- 0.447 1.255 -0.475 0.143 RESID 107 (A): -0.536 ----- 0.367 -0.288 0.788 -0.140 RESID 108 (V): -1.949 ----- -0.808 0.952 -0.299 -0.496 RESID 109 (A): -1.396 ----- 1.857 0.633 -0.151 0.175 RESID 110 (A): -0.771 ----- 0.266 -0.257 -0.032 -0.337 RESID 111 (Q): -1.037 ----- -1.029 0.929 -0.218 -0.286 RESID 112 (M): -6.234 ----- 0.045 0.384 -1.445 -0.076 RESID 113 (P): ----- ----- 0.465 0.180 0.365 ----- RESID 114 (D): -2.234 ----- -0.051 -1.975 -2.010 0.606 RESID 115 (L): ----- ----- 0.606 -1.400 ----- ----- RESID 116 (I): -2.827 ----- ----- -0.067 ----- 1.337 RESID 118 (I): ----- ----- -0.987 0.437 1.030 ----- RESID 119 (S): 0.304 ----- 0.579 -0.598 0.690 1.029 RESID 120 (A): 1.580 ----- -0.483 -0.043 1.520 -0.520 RESID 121 (T): -4.115 ----- -0.107 -2.470 1.590 -0.213 RESID 122 (G): -6.495 ----- 3.068 -0.777 ----- 0.160 RESID 123 (G): ----- ----- -0.214 1.040 ----- ----- RESID 124 (D): -2.421 ----- 0.973 -0.591 0.052 0.823 RESID 125 (S): -4.097 ----- 1.657 0.067 0.140 -1.106 RESID 126 (A): 4.726 ----- -1.956 -2.348 -2.236 0.255 RESID 127 (L): -0.035 ----- 0.542 1.465 1.230 -0.802 RESID 128 (A): 3.420 ----- 0.742 0.818 -0.493 1.288 RESID 129 (L): 0.574 ----- -0.890 -1.281 -0.381 0.357 RESID 130 (Y): -0.886 ----- 0.313 1.505 1.050 -1.102 RESID 131 (D): 1.177 ----- -0.111 0.603 0.300 0.916 RESID 132 (Q): -1.024 ----- 0.278 0.171 0.580 -0.148 RESID 133 (L): -0.386 ----- -0.709 0.285 -0.817 -0.476 RESID 134 (S): -3.181 ----- -0.503 0.318 0.802 -0.334 RESID 135 (T): -5.252 ----- -1.172 -2.037 0.655 -0.635 RESID 136 (I): 3.953 ----- 0.227 -0.071 0.326 0.348 RESID 137 (A): 1.909 ----- -1.625 -0.136 -0.149 -0.391 RESID 138 (P): ----- ----- -1.513 1.178 0.039 ----- RESID 139 (T): 2.007 ----- -0.072 -1.584 1.873 -0.185 RESID 140 (L): ----- ----- 0.465 -0.696 0.487 ----- RESID 141 (I): -2.222 ----- 1.066 -0.908 0.935 1.388 RESID 142 (I): 2.061 ----- 0.377 -2.002 -2.320 0.092 RESID 143 (N): 4.924 ----- 0.422 -1.920 0.086 0.719 RESID 144 (Y): -5.597 ----- 1.788 -3.554 -0.284 0.361 RESID 145 (D): 0.800 ----- 1.735 -0.173 3.362 0.431 RESID 146 (D): 3.828 ----- -0.051 -0.343 -1.621 -1.072 RESID 147 (K): -5.711 ----- -0.264 -1.523 -1.838 -0.547 RESID 148 (S): -0.466 ----- -0.402 -0.068 0.776 0.216 RESID 149 (W): 1.530 ----- 2.061 1.299 -0.709 -0.156 RESID 150 (Q): 3.240 ----- 0.233 3.376 -1.192 1.605 RESID 151 (S): 1.100 ----- 0.589 0.583 0.707 0.131 RESID 152 (L): 2.534 ----- 0.556 0.379 0.298 0.051 RESID 153 (L): 0.568 ----- 1.021 1.415 -0.109 0.941 RESID 154 (T): 3.503 ----- 0.299 1.323 0.527 0.134 RESID 155 (Q): 3.451 ----- 1.168 1.352 0.248 0.268 RESID 156 (L): ----- ----- 1.631 0.620 -0.132 ----- RESID 157 (G): 5.805 ----- -0.550 1.795 ----- 1.215 RESID 158 (E): 4.818 ----- 0.617 1.229 0.303 0.016 RESID 160 (T): ----- ----- 2.273 -1.130 2.666 ----- RESID 161 (G): -0.292 ----- 0.436 1.244 ----- -0.878 RESID 162 (H): 4.981 ----- -2.165 -0.452 -2.955 0.675 RESID 163 (E): 1.735 ----- 2.315 1.418 -0.427 1.504 RESID 164 (K): 0.191 ----- -0.085 -0.466 0.306 0.396 RESID 165 (Q): 2.215 ----- 0.668 2.022 -0.262 -0.492 RESID 166 (A): -1.316 ----- -1.429 1.326 0.223 -0.088 RESID 167 (A): -3.052 ----- 1.888 -0.159 -0.310 -1.120 RESID 168 (E): 1.528 ----- 0.468 -0.008 0.454 0.317 RESID 170 (I): ----- ----- -0.015 1.569 1.351 ----- RESID 171 (A): -2.478 ----- 1.361 -0.356 0.147 -0.779 RESID 172 (Q): 2.558 ----- 0.612 0.705 -0.264 0.640 RESID 173 (F): -0.087 ----- -1.016 1.604 0.363 -0.331 RESID 174 (D): 0.870 ----- 1.405 0.538 -0.099 -0.273 RESID 175 (K): 1.088 ----- 1.165 -0.006 0.314 -0.071 RESID 176 (Q): 2.101 ----- 0.766 -0.478 -0.531 0.349 RESID 177 (L): 6.013 ----- -0.272 2.653 -0.166 1.214 RESID 178 (A): -1.055 ----- 1.367 0.197 0.087 -0.533 RESID 179 (A): -0.786 ----- 0.709 0.333 -0.404 0.043 RESID 180 (A): -0.021 ----- 0.095 0.749 -0.265 0.186 RESID 181 (K): 0.122 ----- -0.102 0.622 0.700 0.031 RESID 182 (E): -2.176 ----- -0.135 0.739 1.079 -0.596 RESID 183 (Q): -0.681 ----- 1.032 0.239 0.424 -0.173 RESID 184 (I): 1.951 ----- 0.961 3.261 0.335 0.299 RESID 185 (K): 4.987 ----- 0.274 -0.506 -2.758 0.811 RESID 186 (L): -0.657 ----- -0.149 2.079 0.249 -0.511 RESID 188 (P): ----- ----- -1.454 1.467 0.992 ----- RESID 189 (Q): 0.301 ----- 1.867 -2.392 0.960 -0.165 RESID 190 (P): ----- ----- -0.061 0.360 2.628 ----- RESID 191 (V): -8.994 ----- 0.336 0.219 0.342 0.726 RESID 192 (T): 7.391 ----- 0.213 3.503 0.299 0.133 RESID 193 (A): 9.917 ----- 0.000 -0.563 -0.309 1.606 RESID 194 (I): -2.097 ----- 2.881 -0.442 1.812 0.748 RESID 195 (V): -4.354 ----- 2.120 1.793 0.205 -0.154 RESID 196 (Y): 2.692 ----- 0.544 -0.412 1.062 1.008 RESID 197 (T): 1.468 ----- 0.934 0.111 -3.046 0.425 RESID 198 (A): -0.385 ----- 1.327 1.212 0.112 -0.301 RESID 199 (A): -4.649 ----- -1.042 -0.473 0.337 0.324 RESID 200 (A): -3.877 ----- -0.618 -0.822 1.343 -1.439 RESID 201 (H): 0.564 ----- -0.484 0.403 -0.452 -0.142 RESID 202 (S): -4.055 ----- 0.032 -1.090 -0.144 -0.698 RESID 203 (A): -2.959 ----- -0.387 -0.547 2.274 0.306 RESID 204 (N): 0.030 ----- -0.184 -0.560 -2.045 0.121 RESID 205 (L): 5.361 ----- 0.117 0.838 1.583 1.650 RESID 206 (W): 1.609 ----- 0.656 -0.771 -1.125 0.628 RESID 207 (T): 1.755 ----- 2.817 0.898 -1.870 -0.112 RESID 208 (P): ----- ----- -0.839 0.753 -0.216 ----- RESID 209 (E): -2.754 ----- 0.290 0.054 -0.393 -0.367 RESID 210 (S): 0.671 ----- -1.631 -1.073 2.836 0.219 RESID 211 (A): -2.296 ----- 0.742 0.105 -0.230 -0.148 RESID 212 (Q): 0.543 ----- -0.903 2.430 -0.313 0.016 RESID 213 (G): -0.159 ----- -0.926 0.676 ----- -0.270 RESID 214 (Q): -0.726 ----- 0.626 0.303 0.418 0.427 RESID 215 (M): -1.479 ----- -0.355 0.113 -0.777 -0.326 RESID 216 (L): -3.000 ----- 0.871 0.510 -1.444 -0.479 RESID 217 (E): 1.307 ----- 2.911 1.272 -0.269 0.217 RESID 218 (Q): 5.120 ----- -0.810 0.937 -0.246 0.538 RESID 219 (L): 0.560 ----- -2.241 -1.385 1.455 -0.333 RESID 220 (G): 1.905 ----- 1.792 0.052 ----- -0.401 RESID 221 (F): 0.383 ----- 1.111 1.909 -3.654 0.216 RESID 222 (T): 1.443 ----- 0.412 0.485 1.777 0.219 RESID 223 (L): 1.255 ----- 1.665 1.355 -1.143 1.063 RESID 224 (A): -1.293 ----- 1.541 1.478 -2.186 0.964 RESID 225 (K): 2.225 ----- 0.609 0.011 0.190 0.238 RESID 226 (L): -1.821 ----- -0.108 -0.509 0.476 0.115 RESID 227 (P): ----- ----- -0.257 -0.036 0.175 ----- RESID 228 (A): 0.092 ----- 1.060 0.745 0.010 -0.095 RESID 229 (G): 0.231 ----- -0.987 0.619 ----- 0.478 RESID 230 (L): -1.247 ----- -1.414 0.125 0.946 -0.434 RESID 231 (N): -0.462 ----- -0.582 -2.459 0.956 0.163 RESID 232 (A): 4.959 ----- 0.076 1.456 1.332 0.181 RESID 233 (S): -0.082 ----- -0.487 -1.759 0.944 -0.283 RESID 234 (Q): 1.460 ----- 0.698 0.159 -1.303 0.430 RESID 235 (S): -0.973 ----- 0.257 0.042 1.608 -0.212 RESID 236 (Q): -4.854 ----- 1.258 1.119 1.637 -0.497 RESID 237 (G): 1.385 ----- 1.141 0.249 ----- 0.798 RESID 238 (K): -1.014 ----- 1.099 0.506 0.550 -0.394 RESID 239 (R): -4.050 ----- ----- 0.186 0.663 -0.346 RESID 240 (H): ----- ----- -1.748 -2.872 -0.296 ----- RESID 241 (D): 0.578 ----- -1.588 -0.521 -0.683 0.654 RESID 242 (I): 0.302 ----- 1.217 -0.289 2.741 -0.323 RESID 243 (I): -0.788 ----- 1.034 -0.314 2.950 0.193 RESID 244 (Q): 0.890 ----- 1.042 1.535 -0.027 0.175 RESID 245 (L): 1.976 ----- -0.416 0.673 0.246 0.278 RESID 246 (G): 4.656 ----- -0.127 -0.426 ----- -0.016 RESID 247 (G): -0.139 ----- 1.817 3.152 ----- 0.932 RESID 248 (E): 2.604 ----- 0.767 1.085 0.016 0.463 RESID 249 (N): 0.459 ----- -0.476 -0.255 0.744 0.457 RESID 250 (L): 1.157 ----- -0.988 1.850 0.759 -0.670 RESID 251 (A): -5.093 ----- 1.339 0.688 -0.433 -0.170 RESID 252 (A): -1.220 ----- 0.783 1.621 -0.011 -1.033 RESID 253 (G): -7.308 ----- -2.100 0.361 ----- 0.011 RESID 254 (L): 1.954 ----- -2.276 -1.849 -3.014 -0.571 RESID 255 (N): -8.122 ----- 0.531 -0.385 -1.190 -1.205 RESID 256 (G): 2.463 ----- -2.392 0.463 ----- -0.696 RESID 257 (E): 1.801 ----- 1.324 1.318 -0.720 -0.217 RESID 258 (S): -5.899 ----- -0.040 -1.003 2.480 -0.767 RESID 259 (L): -2.864 ----- -2.496 -0.920 3.737 0.949 RESID 260 (F): 0.711 ----- -1.829 1.515 1.053 1.155 RESID 261 (L): 3.785 ----- 0.525 0.819 -4.049 0.852 RESID 262 (F): 1.575 ----- -0.311 1.919 1.414 0.234 RESID 263 (A): -2.202 ----- -1.734 0.945 2.875 0.593 RESID 264 (G): -7.105 ----- -1.632 0.499 ----- -1.121 RESID 265 (D): -0.318 ----- 0.029 -1.131 0.599 0.929 RESID 266 (Q): -1.195 ----- 0.150 -0.437 -0.157 -0.327 RESID 267 (K): -1.080 ----- 2.322 -0.151 -0.343 -0.036 RESID 268 (D): 1.949 ----- -0.940 1.009 1.298 -0.470 RESID 269 (A): 0.200 ----- 0.582 0.707 -0.702 -0.248 RESID 270 (D): 0.266 ----- 2.784 1.252 -0.381 0.785 RESID 271 (A): 3.029 ----- 1.471 1.470 -1.016 0.537 RESID 272 (I): -120.466 ----- 1.339 -0.783 -2.419 -1.052 RESID 273 (Y): -0.690 ----- 0.206 2.810 1.937 0.217 RESID 274 (A): -3.243 ----- 0.012 -0.981 0.171 -0.346 RESID 275 (N): 1.661 ----- 1.685 -0.338 1.554 -0.760 RESID 276 (P): ----- ----- 0.402 -0.275 0.399 ----- RESID 277 (L): -0.713 ----- -0.905 -0.915 0.211 -0.150 RESID 278 (L): -1.464 ----- -1.258 -1.715 -0.344 -0.198 RESID 279 (A): -4.512 ----- -0.107 0.722 1.107 -1.234 RESID 280 (H): -3.692 ----- 0.295 -0.885 0.901 0.138 RESID 281 (L): 1.581 ----- 0.426 0.361 -1.462 -0.154 RESID 282 (P): ----- ----- -0.177 0.364 0.426 ----- RESID 283 (A): -3.203 ----- -0.828 0.437 1.304 -0.456 RESID 284 (V): -3.313 ----- 1.070 -0.255 1.734 -1.125 RESID 285 (Q): 0.746 ----- 0.344 0.697 0.475 0.749 RESID 286 (N): -1.380 ----- 0.642 0.436 -0.346 0.081 RESID 287 (K): 2.623 ----- -0.126 0.233 -0.954 0.019 RESID 288 (Q): 2.549 ----- -0.371 -1.871 -0.347 0.460 RESID 289 (V): 0.582 ----- -0.059 0.486 -1.405 -0.661 RESID 290 (Y): 1.000 ----- -0.280 0.188 -1.419 -0.370 RESID 291 (A): 4.935 ----- 1.508 1.198 -1.581 0.411 RESID 292 (L): 1.042 ----- -0.726 0.648 0.214 -0.587 RESID 293 (G): 3.612 ----- 3.465 0.672 ----- 0.577 RESID 294 (T): 1.041 ----- 0.386 -0.013 -0.843 0.225 RESID 295 (E): 2.214 ----- 1.103 0.197 0.239 1.540 RESID 296 (T): -5.669 ----- -0.755 1.093 1.403 -0.846 RESID 297 (F): -1.590 ----- -1.375 0.682 -0.141 0.286 RESID 298 (R): -2.848 ----- 0.905 -1.566 1.322 -0.685 RESID 299 (L): -0.616 ----- 0.202 0.041 -2.088 0.483 RESID 300 (D): 0.444 ----- -2.180 -1.334 0.704 -0.996 RESID 301 (Y): -3.344 ----- -0.881 -1.677 0.021 -1.065 RESID 302 (Y): -3.614 ----- 3.088 1.093 -0.112 -0.782 RESID 303 (S): 3.602 ----- -0.265 -0.611 0.200 -0.096 RESID 304 (A): 1.305 ----- 0.964 1.071 0.083 0.994 RESID 305 (M): -1.418 ----- 0.418 -1.896 -1.047 -0.157 RESID 306 (Q): 0.463 ----- 0.162 0.522 -0.378 -0.228 RESID 308 (L): ----- ----- 0.217 0.280 0.409 ----- RESID 309 (D): 0.007 ----- 0.713 0.268 0.490 -0.069 RESID 310 (R): 1.110 ----- 0.172 -0.598 -0.331 0.865 RESID 311 (L): -0.729 ----- 0.066 0.277 0.505 0.189 RESID 312 (K): -2.257 ----- -0.411 0.069 -0.055 -0.248 RESID 313 (A): -1.241 ----- 1.321 0.625 -0.445 -0.311 RESID 314 (L): 0.354 ----- 0.962 -0.457 1.382 -0.703 DATA CS_STAT_INFO N RMS: 8.227 ppm Count: 256 Average Difference: 0.472 +/- 8.230 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.219 ppm Count: 281 Average Difference: -0.163 +/- 1.211 ppm DATA CS_STAT_INFO CA RMS: 1.337 ppm Count: 283 Average Difference: -0.102 +/- 1.336 ppm DATA CS_STAT_INFO CB RMS: 1.411 ppm Count: 260 Average Difference: -0.157 +/- 1.405 ppm DATA CS_STAT_INFO HN RMS: 0.717 ppm Count: 256 Average Difference: -0.017 +/- 0.718 ppm ############################################################################ For conformer 23: Atom Original Corrected SPARTA Difference RESID 25 (D): N 120.600 120.600 120.236 0.364 RESID 25 (D): C 174.400 174.400 175.346 -0.946 RESID 25 (D): CA 55.230 55.230 53.150 2.080 RESID 25 (D): CB 41.340 41.340 41.653 -0.313 RESID 25 (D): H 8.275 8.275 8.089 0.186 RESID 26 (W): N 120.100 120.100 123.585 -3.485 RESID 26 (W): C 174.200 174.200 175.082 -0.882 RESID 26 (W): CA 55.330 55.330 55.000 0.330 RESID 26 (W): CB 31.090 31.090 27.849 3.240 RESID 26 (W): H 7.788 7.788 7.562 0.226 RESID 27 (P): C 175.900 175.900 175.895 0.005 RESID 27 (P): CA 62.800 62.800 63.099 -0.299 RESID 27 (P): CB 37.260 37.260 32.309 4.951 RESID 28 (R): N 118.000 118.000 121.886 -3.886 RESID 28 (R): C 173.700 173.700 175.103 -1.403 RESID 28 (R): CA 55.160 55.160 54.441 0.719 RESID 28 (R): CB 33.430 33.430 32.657 0.773 RESID 28 (R): H 8.686 8.686 8.610 0.076 RESID 29 (Q): N 120.800 120.800 121.672 -0.872 RESID 29 (Q): C 175.500 175.500 174.909 0.591 RESID 29 (Q): CA 54.780 54.780 56.050 -1.270 RESID 29 (Q): CB 30.700 30.700 29.263 1.437 RESID 29 (Q): H 8.506 8.506 8.587 -0.081 RESID 30 (I): N 124.300 124.300 126.077 -1.777 RESID 30 (I): C 175.700 175.700 175.072 0.628 RESID 30 (I): CA 58.520 58.520 59.439 -0.919 RESID 30 (I): CB 40.680 40.680 41.215 -0.535 RESID 30 (I): H 9.002 9.002 7.933 1.069 RESID 31 (T): N 125.200 125.200 121.992 3.208 RESID 31 (T): C 174.400 174.400 173.664 0.736 RESID 31 (T): CA 62.150 62.150 63.455 -1.305 RESID 31 (T): CB 70.640 70.640 69.594 1.046 RESID 31 (T): H 8.989 8.989 8.400 0.589 RESID 32 (D): N 129.500 129.500 123.766 5.734 RESID 32 (D): C 177.400 177.400 176.001 1.399 RESID 32 (D): CA 52.630 52.630 51.815 0.815 RESID 32 (D): CB 42.950 42.950 43.406 -0.456 RESID 32 (D): H 9.389 9.389 7.987 1.402 RESID 33 (S): N 111.900 111.900 116.360 -4.460 RESID 33 (S): C 175.600 175.600 176.156 -0.556 RESID 33 (S): CA 60.920 60.920 60.554 0.366 RESID 33 (S): CB 63.430 63.430 63.809 -0.378 RESID 33 (S): H 8.075 8.075 8.301 -0.226 RESID 34 (R): N 120.600 120.600 122.970 -2.370 RESID 34 (R): C 176.100 176.100 176.740 -0.640 RESID 34 (R): CA 55.020 55.020 58.672 -3.652 RESID 34 (R): CB 30.850 30.850 30.658 0.192 RESID 34 (R): H 8.433 8.433 8.037 0.396 RESID 35 (G): N 108.900 108.900 103.758 5.142 RESID 35 (G): C 171.200 171.200 173.455 -2.255 RESID 35 (G): CA 45.060 45.060 45.568 -0.508 RESID 35 (G): H 7.837 7.837 8.601 -0.764 RESID 36 (T): N 116.300 116.300 116.160 0.140 RESID 36 (T): C 173.800 173.800 173.004 0.796 RESID 36 (T): CA 62.670 62.670 62.639 0.031 RESID 36 (T): CB 70.000 70.000 70.127 -0.127 RESID 36 (T): H 8.192 8.192 7.603 0.589 RESID 37 (H): N 125.800 125.800 125.335 0.465 RESID 37 (H): C 174.000 174.000 173.270 0.730 RESID 37 (H): CA 54.060 54.060 55.358 -1.298 RESID 37 (H): CB 31.020 31.020 33.036 -2.017 RESID 37 (H): H 8.986 8.986 8.628 0.358 RESID 38 (T): N 121.500 121.500 117.309 4.191 RESID 38 (T): C 174.200 174.200 172.830 1.370 RESID 38 (T): CA 63.190 63.190 61.091 2.099 RESID 38 (T): CB 70.080 70.080 71.312 -1.232 RESID 38 (T): H 9.101 9.101 7.549 1.552 RESID 39 (L): N 129.600 129.600 122.446 7.154 RESID 39 (L): C 176.900 176.900 176.794 0.106 RESID 39 (L): CA 53.990 53.990 53.483 0.506 RESID 39 (L): CB 43.160 43.160 44.046 -0.886 RESID 39 (L): H 9.145 9.145 8.670 0.475 RESID 40 (E): N 124.300 124.300 125.994 -1.694 RESID 40 (E): C 175.600 175.600 175.915 -0.315 RESID 40 (E): CA 59.420 59.420 59.092 0.328 RESID 40 (E): CB 30.710 30.710 30.229 0.481 RESID 40 (E): H 9.164 9.164 9.031 0.133 RESID 41 (S): N 108.300 108.300 110.169 -1.869 RESID 41 (S): C 171.700 171.700 173.181 -1.481 RESID 41 (S): CA 56.270 56.270 57.178 -0.908 RESID 41 (S): CB 65.420 65.420 64.813 0.607 RESID 41 (S): H 7.326 7.326 7.483 -0.157 RESID 42 (Q): N 123.900 123.900 120.597 3.303 RESID 42 (Q): C 174.600 174.600 174.757 -0.157 RESID 42 (Q): CA 53.730 53.730 55.721 -1.991 RESID 42 (Q): CB 28.470 28.470 27.924 0.545 RESID 42 (Q): H 7.339 7.339 8.600 -1.261 RESID 43 (P): C 176.300 176.300 176.677 -0.377 RESID 43 (P): CA 64.080 64.080 63.326 0.754 RESID 43 (P): CB 32.510 32.510 32.432 0.077 RESID 44 (Q): N 125.100 125.100 122.523 2.577 RESID 44 (Q): C 175.400 175.400 176.028 -0.628 RESID 44 (Q): CA 55.780 55.780 57.341 -1.561 RESID 44 (Q): CB 32.660 32.660 29.755 2.905 RESID 44 (Q): H 11.160 11.160 8.577 2.583 RESID 45 (R): N 125.700 125.700 117.485 8.215 RESID 45 (R): C 174.600 174.600 174.103 0.497 RESID 45 (R): CA 55.310 55.310 55.239 0.071 RESID 45 (R): CB 33.070 33.070 33.039 0.031 RESID 45 (R): H 10.010 10.010 7.563 2.447 RESID 47 (V): C 174.700 174.700 174.443 0.257 RESID 47 (V): CA 60.970 60.970 61.216 -0.246 RESID 47 (V): CB 34.140 34.140 34.444 -0.304 RESID 48 (S): N 118.300 118.300 120.213 -1.913 RESID 48 (S): C 175.500 175.500 173.803 1.697 RESID 48 (S): CA 55.700 55.700 57.764 -2.064 RESID 48 (S): CB 64.750 64.750 66.395 -1.645 RESID 48 (S): H 7.852 7.852 8.594 -0.742 RESID 49 (T): N 116.800 116.800 112.338 4.462 RESID 49 (T): C 171.500 171.500 174.526 -3.026 RESID 49 (T): CA 62.400 62.400 61.595 0.805 RESID 49 (T): CB 69.320 69.320 69.767 -0.447 RESID 49 (T): H 8.283 8.283 8.598 -0.315 RESID 50 (S): N 116.200 116.200 116.912 -0.712 RESID 50 (S): C 174.600 174.600 175.103 -0.503 RESID 50 (S): CA 54.640 54.640 57.376 -2.736 RESID 50 (S): CB 64.000 64.000 64.111 -0.111 RESID 50 (S): H 7.627 7.627 7.647 -0.020 RESID 51 (V): N 134.300 134.300 128.397 5.903 RESID 51 (V): C 175.100 175.100 177.992 -2.892 RESID 51 (V): CA 65.620 65.620 65.774 -0.154 RESID 51 (V): CB 31.790 31.790 32.092 -0.302 RESID 51 (V): H 9.218 9.218 8.684 0.534 RESID 52 (T): N 117.000 117.000 116.421 0.579 RESID 52 (T): C 179.700 179.700 176.478 3.222 RESID 52 (T): CA 67.390 67.390 66.498 0.892 RESID 52 (T): CB 69.130 69.130 68.870 0.260 RESID 52 (T): H 7.841 7.841 7.954 -0.113 RESID 53 (L): N 123.400 123.400 122.262 1.138 RESID 53 (L): C 178.700 178.700 178.266 0.434 RESID 53 (L): CA 57.460 57.460 58.136 -0.676 RESID 53 (L): CB 42.610 42.610 41.770 0.841 RESID 53 (L): H 8.092 8.092 8.543 -0.451 RESID 54 (T): N 117.500 117.500 115.730 1.770 RESID 54 (T): C 174.900 174.900 176.642 -1.742 RESID 54 (T): CA 67.070 67.070 67.725 -0.655 RESID 54 (T): H 8.039 8.039 8.137 -0.098 RESID 55 (G): N 105.500 105.500 109.177 -3.677 RESID 55 (G): C 175.600 175.600 175.782 -0.182 RESID 55 (G): CA 47.260 47.260 46.954 0.306 RESID 55 (G): H 6.591 6.591 7.876 -1.285 RESID 56 (S): N 117.000 117.000 117.784 -0.784 RESID 56 (S): C 175.600 175.600 176.753 -1.153 RESID 56 (S): CA 63.400 63.400 61.456 1.944 RESID 56 (S): CB 65.060 65.060 63.089 1.971 RESID 56 (S): H 6.709 6.709 7.954 -1.245 RESID 58 (L): C 181.200 181.200 179.398 1.802 RESID 58 (L): CA 57.480 57.480 57.752 -0.272 RESID 58 (L): CB 40.810 40.810 40.914 -0.104 RESID 59 (A): N 122.100 122.100 122.831 -0.731 RESID 59 (A): C 178.500 178.500 178.801 -0.301 RESID 59 (A): CA 55.540 55.540 54.790 0.750 RESID 59 (A): CB 18.440 18.440 18.742 -0.302 RESID 59 (A): H 7.797 7.797 8.091 -0.294 RESID 60 (I): C 172.700 172.700 174.238 -1.538 RESID 60 (I): CA 60.390 60.390 60.243 0.147 RESID 60 (I): CB 37.930 37.930 37.463 0.467 RESID 61 (D): N 116.200 116.200 118.537 -2.337 RESID 61 (D): C 174.800 174.800 174.553 0.247 RESID 61 (D): CA 55.850 55.850 55.797 0.053 RESID 61 (D): CB 38.930 38.930 38.944 -0.014 RESID 61 (D): H 7.736 7.736 7.731 0.005 RESID 62 (A): N 118.900 118.900 121.929 -3.029 RESID 62 (A): C 176.800 176.800 174.110 2.690 RESID 62 (A): CA 50.040 50.040 50.873 -0.833 RESID 62 (A): CB 17.940 17.940 19.575 -1.635 RESID 62 (A): H 7.820 7.820 7.724 0.096 RESID 63 (P): C 173.600 173.600 175.707 -2.107 RESID 63 (P): CA 63.250 63.250 62.644 0.606 RESID 63 (P): CB 27.640 27.640 32.337 -4.697 RESID 64 (V): N 123.100 123.100 119.227 3.873 RESID 64 (V): C 174.800 174.800 175.714 -0.914 RESID 64 (V): CA 58.420 58.420 59.872 -1.452 RESID 64 (V): CB 33.300 33.300 34.097 -0.798 RESID 64 (V): H 8.299 8.299 7.861 0.438 RESID 65 (I): N 122.000 122.000 126.201 -4.201 RESID 65 (I): C 177.100 177.100 176.016 1.084 RESID 65 (I): CA 61.010 61.010 64.000 -2.990 RESID 65 (I): CB 39.480 39.480 38.154 1.326 RESID 65 (I): H 8.589 8.589 8.348 0.241 RESID 66 (A): N 120.700 120.700 117.421 3.279 RESID 66 (A): C 175.100 175.100 175.136 -0.036 RESID 66 (A): CA 51.300 51.300 50.700 0.600 RESID 66 (A): CB 22.980 22.980 21.565 1.415 RESID 66 (A): H 7.246 7.246 7.672 -0.426 RESID 67 (S): N 111.700 111.700 116.743 -5.043 RESID 67 (S): C 176.500 176.500 174.257 2.243 RESID 67 (S): CA 55.230 55.230 57.310 -2.080 RESID 67 (S): CB 65.300 65.300 67.731 -2.431 RESID 67 (S): H 8.561 8.561 8.321 0.240 RESID 68 (G): N 112.900 112.900 107.260 5.640 RESID 68 (G): C 171.000 171.000 172.609 -1.609 RESID 68 (G): CA 46.580 46.580 44.518 2.062 RESID 68 (G): H 7.604 7.604 8.656 -1.052 RESID 69 (A): N 122.300 122.300 124.578 -2.278 RESID 69 (A): C 177.900 177.900 175.176 2.724 RESID 69 (A): CA 51.280 51.280 52.090 -0.810 RESID 69 (A): CB 23.440 23.440 21.063 2.377 RESID 69 (A): H 7.402 7.402 8.248 -0.846 RESID 70 (T): N 119.600 119.600 113.365 6.235 RESID 70 (T): C 171.400 171.400 173.714 -2.314 RESID 70 (T): CA 58.150 58.150 60.850 -2.700 RESID 70 (T): CB 70.880 70.880 69.873 1.007 RESID 70 (T): H 9.171 9.171 8.083 1.088 RESID 71 (T): N 116.500 116.500 121.508 -5.008 RESID 71 (T): C 172.500 172.500 172.934 -0.434 RESID 71 (T): CA 61.680 61.680 61.543 0.137 RESID 71 (T): CB 70.490 70.490 68.959 1.531 RESID 71 (T): H 7.663 7.663 8.445 -0.782 RESID 72 (P): C 177.100 177.100 176.123 0.977 RESID 72 (P): CA 63.390 63.390 63.569 -0.179 RESID 72 (P): CB 32.940 32.940 32.206 0.734 RESID 73 (N): N 115.200 115.200 119.790 -4.590 RESID 73 (N): C 174.600 174.600 176.226 -1.626 RESID 73 (N): CA 54.570 54.570 53.826 0.744 RESID 73 (N): CB 37.020 37.020 38.478 -1.458 RESID 73 (N): H 7.990 7.990 8.689 -0.699 RESID 74 (N): C 175.800 175.800 176.955 -1.155 RESID 74 (N): CA 60.660 60.660 55.649 5.011 RESID 74 (N): CB 38.070 38.070 37.712 0.357 RESID 75 (R): N 114.600 114.600 120.892 -6.292 RESID 75 (R): C 177.400 177.400 177.560 -0.160 RESID 75 (R): CA 59.940 59.940 58.857 1.083 RESID 75 (R): CB 31.110 31.110 30.056 1.054 RESID 75 (R): H 8.049 8.049 8.332 -0.283 RESID 76 (V): N 107.100 107.100 117.413 -10.313 RESID 76 (V): C 176.000 176.000 175.949 0.051 RESID 76 (V): CA 61.110 61.110 64.048 -2.938 RESID 76 (V): CB 33.590 33.590 31.557 2.033 RESID 76 (V): H 7.356 7.356 8.185 -0.829 RESID 77 (A): N 126.900 126.900 120.996 5.904 RESID 77 (A): C 176.500 176.500 177.582 -1.082 RESID 77 (A): CA 51.390 51.390 52.428 -1.038 RESID 77 (A): CB 24.260 24.260 19.146 5.114 RESID 77 (A): H 7.873 7.873 7.155 0.718 RESID 78 (D): N 118.700 118.700 116.915 1.785 RESID 78 (D): C 178.100 178.100 175.887 2.213 RESID 78 (D): CA 51.970 51.970 52.909 -0.939 RESID 78 (D): CB 41.360 41.360 40.995 0.366 RESID 78 (D): H 8.607 8.607 8.177 0.430 RESID 79 (D): N 116.600 116.600 115.741 0.859 RESID 79 (D): C 176.400 176.400 176.115 0.285 RESID 79 (D): CA 56.030 56.030 54.951 1.079 RESID 79 (D): CB 40.100 40.100 39.223 0.877 RESID 79 (D): H 8.258 8.258 8.408 -0.150 RESID 80 (Q): N 117.200 117.200 121.569 -4.369 RESID 80 (Q): C 175.700 175.700 176.879 -1.179 RESID 80 (Q): CA 54.970 54.970 56.484 -1.514 RESID 80 (Q): CB 30.840 30.840 28.430 2.410 RESID 80 (Q): H 8.160 8.160 8.337 -0.177 RESID 81 (G): N 105.300 105.300 105.308 -0.008 RESID 81 (G): C 174.200 174.200 173.336 0.864 RESID 81 (G): CA 45.740 45.740 44.789 0.951 RESID 81 (G): H 7.419 7.419 8.063 -0.644 RESID 82 (F): N 121.700 121.700 121.065 0.635 RESID 82 (F): C 175.300 175.300 175.728 -0.428 RESID 82 (F): CA 52.530 52.530 56.773 -4.243 RESID 82 (F): CB 37.430 37.430 40.078 -2.648 RESID 82 (F): H 8.154 8.154 7.842 0.312 RESID 83 (L): C 178.400 178.400 177.424 0.976 RESID 83 (L): CA 55.550 55.550 55.179 0.371 RESID 83 (L): CB 38.480 38.480 41.963 -3.483 RESID 84 (R): N 119.000 119.000 118.697 0.303 RESID 84 (R): C 178.300 178.300 177.531 0.769 RESID 84 (R): CA 60.690 60.690 57.223 3.467 RESID 84 (R): CB 31.530 31.530 29.884 1.646 RESID 84 (R): H 7.746 7.746 8.425 -0.679 RESID 85 (Q): N 116.400 116.400 119.005 -2.605 RESID 85 (Q): C 174.700 174.700 177.464 -2.764 RESID 85 (Q): CA 58.200 58.200 57.893 0.307 RESID 85 (Q): CB 26.140 26.140 29.249 -3.109 RESID 85 (Q): H 9.838 9.838 8.057 1.781 RESID 86 (W): N 115.600 115.600 122.138 -6.538 RESID 86 (W): C 175.900 175.900 177.856 -1.956 RESID 86 (W): CA 55.320 55.320 60.501 -5.181 RESID 86 (W): CB 27.470 27.470 29.699 -2.229 RESID 86 (W): H 6.600 6.600 8.091 -1.491 RESID 87 (S): N 118.500 118.500 114.568 3.932 RESID 87 (S): C 177.300 177.300 175.850 1.450 RESID 87 (S): CA 62.340 62.340 61.891 0.449 RESID 87 (S): H 7.067 7.067 8.366 -1.299 RESID 88 (K): N 118.300 118.300 122.223 -3.923 RESID 88 (K): C 179.000 179.000 178.825 0.175 RESID 88 (K): CA 59.970 59.970 59.512 0.458 RESID 88 (K): CB 32.380 32.380 32.471 -0.091 RESID 88 (K): H 8.615 8.615 7.652 0.963 RESID 89 (V): N 120.600 120.600 114.299 6.301 RESID 89 (V): C 178.100 178.100 177.330 0.770 RESID 89 (V): CA 65.530 65.530 65.438 0.092 RESID 89 (V): CB 32.180 32.180 31.665 0.515 RESID 89 (V): H 7.089 7.089 7.723 -0.634 RESID 90 (A): N 120.700 120.700 121.188 -0.488 RESID 90 (A): C 180.000 180.000 178.959 1.041 RESID 90 (A): CA 55.490 55.490 54.192 1.298 RESID 90 (A): CB 19.130 19.130 17.809 1.321 RESID 90 (A): H 7.979 7.979 7.337 0.642 RESID 91 (K): N 117.600 117.600 118.034 -0.434 RESID 91 (K): C 180.900 180.900 177.900 3.000 RESID 91 (K): CA 59.830 59.830 58.849 0.981 RESID 91 (K): CB 32.700 32.700 32.709 -0.009 RESID 91 (K): H 7.844 7.844 8.130 -0.286 RESID 92 (E): N 122.300 122.300 117.234 5.066 RESID 92 (E): C 178.600 178.600 177.105 1.495 RESID 92 (E): CA 59.590 59.590 57.308 2.282 RESID 92 (E): CB 29.740 29.740 30.401 -0.661 RESID 92 (E): H 8.178 8.178 7.708 0.470 RESID 93 (R): N 115.300 115.300 118.442 -3.142 RESID 93 (R): C 175.000 175.000 174.664 0.336 RESID 93 (R): CA 56.320 56.320 55.521 0.799 RESID 93 (R): CB 29.390 29.390 30.906 -1.516 RESID 93 (R): H 7.776 7.776 8.057 -0.281 RESID 94 (K): N 116.800 116.800 115.821 0.979 RESID 94 (K): C 176.400 176.400 175.828 0.572 RESID 94 (K): CA 56.950 56.950 57.579 -0.629 RESID 94 (K): CB 28.870 28.870 30.335 -1.466 RESID 94 (K): H 7.697 7.697 8.350 -0.653 RESID 95 (L): N 120.600 120.600 122.401 -1.801 RESID 95 (L): C 177.200 177.200 176.835 0.365 RESID 95 (L): CA 56.710 56.710 55.800 0.910 RESID 95 (L): CB 43.480 43.480 42.300 1.180 RESID 95 (L): H 7.708 7.708 7.646 0.062 RESID 96 (Q): N 124.900 124.900 124.255 0.645 RESID 96 (Q): C 175.000 175.000 176.205 -1.205 RESID 96 (Q): CA 55.570 55.570 54.892 0.678 RESID 96 (Q): CB 30.080 30.080 29.794 0.286 RESID 96 (Q): H 7.526 7.526 8.397 -0.871 RESID 97 (R): N 126.000 126.000 119.539 6.461 RESID 97 (R): C 176.800 176.800 176.221 0.579 RESID 97 (R): CA 55.610 55.610 56.639 -1.029 RESID 97 (R): CB 31.840 31.840 30.216 1.624 RESID 97 (R): H 9.039 9.039 8.535 0.504 RESID 98 (L): N 126.500 126.500 123.015 3.485 RESID 98 (L): C 175.400 175.400 175.821 -0.421 RESID 98 (L): CA 56.610 56.610 54.195 2.415 RESID 98 (L): CB 47.140 47.140 43.804 3.336 RESID 98 (L): H 8.247 8.247 8.716 -0.469 RESID 99 (Y): N 110.000 110.000 112.127 -2.127 RESID 99 (Y): C 173.200 173.200 174.593 -1.393 RESID 99 (Y): CA 55.320 55.320 56.140 -0.820 RESID 99 (Y): CB 38.350 38.350 39.346 -0.996 RESID 99 (Y): H 6.465 6.465 7.837 -1.372 RESID 100 (I): N 120.000 120.000 126.236 -6.236 RESID 100 (I): C 176.800 176.800 177.140 -0.340 RESID 100 (I): CA 61.290 61.290 63.095 -1.805 RESID 100 (I): CB 39.980 39.980 36.403 3.577 RESID 100 (I): H 8.725 8.725 8.632 0.093 RESID 101 (G): N 114.800 114.800 113.924 0.876 RESID 101 (G): C 173.400 173.400 174.100 -0.700 RESID 101 (G): CA 47.030 47.030 44.819 2.212 RESID 101 (G): H 8.224 8.224 8.488 -0.264 RESID 102 (E): N 129.600 129.600 118.714 10.886 RESID 102 (E): C 173.700 173.700 174.483 -0.783 RESID 102 (E): CA 54.480 54.480 54.011 0.469 RESID 102 (E): CB 29.790 29.790 27.764 2.026 RESID 102 (E): H 8.294 8.294 8.012 0.282 RESID 103 (P): C 175.400 175.400 176.231 -0.831 RESID 103 (P): CA 62.040 62.040 63.418 -1.378 RESID 103 (P): CB 32.570 32.570 32.660 -0.090 RESID 104 (S): N 111.900 111.900 117.147 -5.247 RESID 104 (S): C 174.800 174.800 174.630 0.170 RESID 104 (S): CA 55.340 55.340 58.507 -3.167 RESID 104 (S): CB 64.330 64.330 64.414 -0.084 RESID 104 (S): H 5.412 5.412 7.973 -2.561 RESID 105 (A): N 130.200 130.200 129.956 0.244 RESID 105 (A): C 179.400 179.400 179.051 0.349 RESID 105 (A): CA 55.070 55.070 54.322 0.748 RESID 105 (A): CB 18.210 18.210 19.111 -0.901 RESID 105 (A): H 9.211 9.211 8.882 0.329 RESID 106 (E): N 119.800 119.800 119.462 0.338 RESID 106 (E): C 179.300 179.300 178.866 0.434 RESID 106 (E): CA 60.270 60.270 59.037 1.233 RESID 106 (E): CB 28.990 28.990 29.464 -0.474 RESID 106 (E): H 8.731 8.731 8.584 0.147 RESID 107 (A): N 121.600 121.600 122.377 -0.777 RESID 107 (A): C 180.100 180.100 179.786 0.314 RESID 107 (A): CA 54.650 54.650 55.087 -0.437 RESID 107 (A): CB 19.220 19.220 18.378 0.842 RESID 107 (A): H 7.682 7.682 7.868 -0.186 RESID 108 (V): N 116.600 116.600 118.280 -1.680 RESID 108 (V): C 177.700 177.700 178.636 -0.936 RESID 108 (V): CA 66.920 66.920 65.764 1.155 RESID 108 (V): CB 31.430 31.430 31.099 0.331 RESID 108 (V): H 7.015 7.015 7.550 -0.535 RESID 109 (A): N 121.400 121.400 123.386 -1.986 RESID 109 (A): C 181.100 181.100 179.330 1.770 RESID 109 (A): CA 55.540 55.540 55.017 0.523 RESID 109 (A): CB 17.900 17.900 18.105 -0.205 RESID 109 (A): H 8.262 8.262 8.209 0.053 RESID 110 (A): N 118.800 118.800 119.545 -0.745 RESID 110 (A): C 178.900 178.900 178.649 0.251 RESID 110 (A): CA 54.300 54.300 54.550 -0.250 RESID 110 (A): CB 18.460 18.460 18.487 -0.027 RESID 110 (A): H 7.607 7.607 7.913 -0.306 RESID 111 (Q): N 113.500 113.500 114.546 -1.046 RESID 111 (Q): C 174.900 174.900 175.951 -1.051 RESID 111 (Q): CA 55.160 55.160 54.246 0.914 RESID 111 (Q): CB 28.450 28.450 28.664 -0.214 RESID 111 (Q): H 7.148 7.148 7.443 -0.295 RESID 112 (M): N 114.700 114.700 120.852 -6.152 RESID 112 (M): C 173.300 173.300 173.242 0.058 RESID 112 (M): CA 55.900 55.900 55.554 0.346 RESID 112 (M): CB 30.300 30.300 31.750 -1.450 RESID 112 (M): H 7.882 7.882 7.947 -0.065 RESID 113 (P): C 176.700 176.700 176.244 0.456 RESID 113 (P): CA 62.820 62.820 62.621 0.199 RESID 113 (P): CB 33.340 33.340 32.992 0.348 RESID 114 (D): N 115.800 115.800 117.955 -2.155 RESID 114 (D): C 175.900 175.900 175.914 -0.014 RESID 114 (D): CA 53.150 53.150 55.155 -2.005 RESID 114 (D): CB 40.990 40.990 43.047 -2.057 RESID 114 (D): H 8.850 8.850 8.235 0.615 RESID 115 (L): C 174.900 174.900 174.295 0.605 RESID 115 (L): CA 52.800 52.800 54.128 -1.328 RESID 116 (I): N 123.500 123.500 126.277 -2.777 RESID 116 (I): CA 60.270 60.270 60.098 0.172 RESID 116 (I): H 9.340 9.340 8.042 1.298 RESID 118 (I): C 174.400 174.400 175.449 -1.049 RESID 118 (I): CA 60.250 60.250 59.791 0.459 RESID 118 (I): CB 42.610 42.610 41.451 1.159 RESID 119 (S): N 121.600 121.600 121.595 0.005 RESID 119 (S): C 175.700 175.700 175.146 0.554 RESID 119 (S): CA 57.150 57.150 57.749 -0.599 RESID 119 (S): CB 65.280 65.280 64.609 0.671 RESID 119 (S): H 9.575 9.575 8.573 1.002 RESID 120 (A): N 126.000 126.000 124.554 1.446 RESID 120 (A): C 176.900 176.900 177.440 -0.540 RESID 120 (A): CA 54.300 54.300 54.346 -0.046 RESID 120 (A): CB 20.530 20.530 18.987 1.543 RESID 120 (A): H 8.143 8.143 8.703 -0.560 RESID 121 (T): N 106.400 106.400 110.467 -4.067 RESID 121 (T): C 173.000 173.000 173.138 -0.138 RESID 121 (T): CA 59.450 59.450 61.914 -2.465 RESID 121 (T): CB 72.310 72.310 70.706 1.605 RESID 121 (T): H 7.617 7.617 7.852 -0.235 RESID 122 (G): N 104.200 104.200 110.839 -6.639 RESID 122 (G): C 177.200 177.200 174.141 3.059 RESID 122 (G): CA 44.430 44.430 45.182 -0.752 RESID 122 (G): H 7.998 7.998 7.840 0.158 RESID 123 (G): C 174.100 174.100 174.321 -0.221 RESID 123 (G): CA 46.710 46.710 45.672 1.038 RESID 124 (D): N 116.900 116.900 119.170 -2.270 RESID 124 (D): C 176.900 176.900 175.739 1.161 RESID 124 (D): CA 52.320 52.320 52.948 -0.628 RESID 124 (D): CB 40.690 40.690 40.614 0.076 RESID 124 (D): H 8.617 8.617 7.730 0.887 RESID 125 (S): N 115.100 115.100 119.124 -4.024 RESID 125 (S): C 176.900 176.900 175.186 1.714 RESID 125 (S): CA 58.750 58.750 58.651 0.099 RESID 125 (S): CB 64.190 64.190 64.081 0.109 RESID 125 (S): H 7.322 7.322 8.436 -1.114 RESID 126 (A): N 134.900 134.900 130.111 4.789 RESID 126 (A): C 176.700 176.700 178.660 -1.960 RESID 126 (A): CA 51.150 51.150 53.512 -2.362 RESID 126 (A): CB 16.850 16.850 19.086 -2.236 RESID 126 (A): H 8.837 8.837 8.611 0.226 RESID 127 (L): N 121.000 121.000 121.042 -0.042 RESID 127 (L): C 178.900 178.900 178.348 0.552 RESID 127 (L): CA 58.730 58.730 57.264 1.466 RESID 127 (L): CB 42.840 42.840 41.614 1.226 RESID 127 (L): H 7.353 7.353 8.155 -0.802 RESID 128 (A): N 121.600 121.600 118.139 3.461 RESID 128 (A): C 178.900 178.900 178.118 0.782 RESID 128 (A): CA 55.010 55.010 54.170 0.840 RESID 128 (A): CB 18.200 18.200 18.700 -0.500 RESID 128 (A): H 8.918 8.918 7.628 1.290 RESID 129 (L): N 116.800 116.800 116.120 0.680 RESID 129 (L): C 177.000 177.000 177.864 -0.864 RESID 129 (L): CA 53.930 53.930 55.208 -1.278 RESID 129 (L): CB 42.710 42.710 43.125 -0.415 RESID 129 (L): H 7.776 7.776 7.423 0.353 RESID 130 (Y): N 122.000 122.000 122.839 -0.839 RESID 130 (Y): C 177.100 177.100 176.716 0.384 RESID 130 (Y): CA 64.420 64.420 62.987 1.433 RESID 130 (Y): CB 39.470 39.470 38.424 1.046 RESID 130 (Y): H 7.891 7.891 8.989 -1.098 RESID 131 (D): N 119.000 119.000 117.845 1.155 RESID 131 (D): C 178.300 178.300 178.394 -0.094 RESID 131 (D): CA 58.040 58.040 57.441 0.599 RESID 131 (D): CB 39.660 39.660 39.383 0.277 RESID 131 (D): H 9.014 9.014 8.095 0.919 RESID 132 (Q): N 118.900 118.900 119.865 -0.965 RESID 132 (Q): C 179.100 179.100 178.890 0.210 RESID 132 (Q): CA 58.930 58.930 58.565 0.365 RESID 132 (Q): CB 29.320 29.320 28.761 0.559 RESID 132 (Q): H 7.814 7.814 7.982 -0.168 RESID 133 (L): N 119.700 119.700 120.157 -0.457 RESID 133 (L): C 177.900 177.900 178.592 -0.692 RESID 133 (L): CA 57.910 57.910 57.653 0.257 RESID 133 (L): CB 40.980 40.980 41.800 -0.820 RESID 133 (L): H 8.450 8.450 8.812 -0.362 RESID 134 (S): N 111.800 111.800 114.904 -3.104 RESID 134 (S): C 175.500 175.500 175.865 -0.365 RESID 134 (S): CA 61.160 61.160 60.962 0.198 RESID 134 (S): CB 63.450 63.450 62.705 0.745 RESID 134 (S): H 8.128 8.128 8.469 -0.341 RESID 135 (T): N 111.100 111.100 115.994 -4.894 RESID 135 (T): C 175.300 175.300 176.602 -1.302 RESID 135 (T): CA 63.230 63.230 65.302 -2.071 RESID 135 (T): CB 69.670 69.670 69.011 0.659 RESID 135 (T): H 6.953 6.953 7.561 -0.608 RESID 136 (I): N 124.400 124.400 120.501 3.899 RESID 136 (I): C 175.800 175.800 175.566 0.234 RESID 136 (I): CA 63.940 63.940 64.029 -0.090 RESID 136 (I): CB 38.870 38.870 38.563 0.307 RESID 136 (I): H 7.694 7.694 7.357 0.337 RESID 137 (A): N 120.500 120.500 118.632 1.868 RESID 137 (A): C 172.300 172.300 173.986 -1.686 RESID 137 (A): CA 50.470 50.470 50.562 -0.092 RESID 137 (A): CB 19.320 19.320 19.510 -0.190 RESID 137 (A): H 7.540 7.540 7.978 -0.438 RESID 138 (P): C 174.700 174.700 176.196 -1.496 RESID 138 (P): CA 64.700 64.700 63.606 1.094 RESID 138 (P): CB 31.610 31.610 31.509 0.101 RESID 139 (T): N 122.000 122.000 119.836 2.164 RESID 139 (T): C 173.900 173.900 173.946 -0.046 RESID 139 (T): CA 61.630 61.630 63.196 -1.566 RESID 139 (T): CB 71.540 71.540 69.686 1.854 RESID 139 (T): H 7.990 7.990 8.151 -0.161 RESID 140 (L): C 174.900 174.900 174.289 0.611 RESID 140 (L): CA 52.740 52.740 53.513 -0.773 RESID 140 (L): CB 46.680 46.680 46.128 0.552 RESID 141 (I): N 123.500 123.500 125.493 -1.993 RESID 141 (I): C 175.700 175.700 174.681 1.019 RESID 141 (I): CA 60.250 60.250 61.131 -0.881 RESID 141 (I): CB 39.590 39.590 38.643 0.947 RESID 141 (I): H 9.345 9.345 7.884 1.461 RESID 142 (I): N 129.000 129.000 127.079 1.921 RESID 142 (I): C 174.400 174.400 174.167 0.233 RESID 142 (I): CA 57.930 57.930 59.853 -1.923 RESID 142 (I): CB 39.690 39.690 42.169 -2.479 RESID 142 (I): H 9.030 9.030 8.967 0.063 RESID 143 (N): N 129.100 129.100 124.188 4.912 RESID 143 (N): C 174.700 174.700 174.228 0.472 RESID 143 (N): CA 51.390 51.390 53.276 -1.886 RESID 143 (N): CB 39.720 39.720 39.616 0.104 RESID 143 (N): H 9.388 9.388 8.640 0.748 RESID 144 (Y): N 119.900 119.900 125.947 -6.047 RESID 144 (Y): C 176.500 176.500 174.816 1.684 RESID 144 (Y): CA 55.820 55.820 59.884 -4.064 RESID 144 (Y): CB 39.120 39.120 39.272 -0.152 RESID 144 (Y): H 8.491 8.491 8.438 0.053 RESID 145 (D): N 125.200 125.200 124.037 1.163 RESID 145 (D): C 176.800 176.800 175.102 1.698 RESID 145 (D): CA 55.220 55.220 55.555 -0.335 RESID 145 (D): CB 43.120 43.120 39.968 3.151 RESID 145 (D): H 8.800 8.800 8.358 0.442 RESID 146 (D): N 119.100 119.100 115.370 3.730 RESID 146 (D): C 175.200 175.200 175.264 -0.064 RESID 146 (D): CA 53.230 53.230 53.605 -0.376 RESID 146 (D): CB 40.760 40.760 42.441 -1.681 RESID 146 (D): H 7.571 7.571 8.625 -1.054 RESID 147 (K): N 114.100 114.100 119.809 -5.709 RESID 147 (K): C 175.000 175.000 175.283 -0.283 RESID 147 (K): CA 54.070 54.070 55.622 -1.552 RESID 147 (K): CB 33.340 33.340 35.156 -1.816 RESID 147 (K): H 7.018 7.018 7.570 -0.552 RESID 148 (S): N 118.300 118.300 118.738 -0.438 RESID 148 (S): C 175.700 175.700 176.080 -0.380 RESID 148 (S): CA 57.120 57.120 57.164 -0.044 RESID 148 (S): CB 64.970 64.970 64.282 0.688 RESID 148 (S): H 8.709 8.709 8.506 0.203 RESID 149 (W): N 121.700 121.700 119.924 1.776 RESID 149 (W): C 179.300 179.300 177.243 2.057 RESID 149 (W): CA 59.890 59.890 58.587 1.303 RESID 149 (W): CB 27.660 27.660 28.402 -0.742 RESID 149 (W): H 8.779 8.779 8.900 -0.121 RESID 150 (Q): N 124.600 124.600 121.497 3.103 RESID 150 (Q): C 178.100 178.100 177.689 0.411 RESID 150 (Q): CA 61.660 61.660 58.233 3.427 RESID 150 (Q): CB 26.550 26.550 27.815 -1.265 RESID 150 (Q): H 8.369 8.369 6.763 1.606 RESID 151 (S): N 117.500 117.500 116.367 1.133 RESID 151 (S): C 177.500 177.500 176.894 0.606 RESID 151 (S): CA 61.760 61.760 61.068 0.692 RESID 151 (S): CB 63.360 63.360 62.962 0.398 RESID 151 (S): H 7.769 7.769 7.709 0.060 RESID 152 (L): N 125.200 125.200 122.791 2.409 RESID 152 (L): C 178.700 178.700 178.078 0.622 RESID 152 (L): CA 58.320 58.320 57.977 0.343 RESID 152 (L): CB 41.980 41.980 41.733 0.247 RESID 152 (L): H 8.460 8.460 8.416 0.044 RESID 153 (L): N 119.200 119.200 118.620 0.580 RESID 153 (L): C 179.700 179.700 178.667 1.033 RESID 153 (L): CA 58.960 58.960 57.532 1.428 RESID 153 (L): CB 41.270 41.270 41.380 -0.110 RESID 153 (L): H 8.562 8.562 7.631 0.931 RESID 154 (T): N 116.300 116.300 112.808 3.492 RESID 154 (T): C 177.200 177.200 176.899 0.301 RESID 154 (T): CA 67.290 67.290 65.976 1.314 RESID 154 (T): CB 68.640 68.640 68.118 0.522 RESID 154 (T): H 8.004 8.004 7.857 0.147 RESID 155 (Q): N 124.500 124.500 120.991 3.509 RESID 155 (Q): C 179.200 179.200 178.014 1.186 RESID 155 (Q): CA 59.710 59.710 58.337 1.373 RESID 155 (Q): CB 28.620 28.620 28.362 0.258 RESID 155 (Q): H 8.230 8.230 7.946 0.284 RESID 156 (L): C 180.900 180.900 179.263 1.637 RESID 156 (L): CA 57.540 57.540 56.917 0.623 RESID 156 (L): CB 41.710 41.710 41.838 -0.128 RESID 157 (G): N 112.800 112.800 107.006 5.794 RESID 157 (G): C 174.500 174.500 175.066 -0.566 RESID 157 (G): CA 48.300 48.300 46.508 1.792 RESID 157 (G): H 9.216 9.216 8.001 1.215 RESID 158 (E): N 123.500 123.500 118.672 4.828 RESID 158 (E): C 177.800 177.800 177.160 0.640 RESID 158 (E): CA 59.120 59.120 57.877 1.243 RESID 158 (E): CB 29.700 29.700 29.388 0.312 RESID 158 (E): H 7.480 7.480 7.460 0.020 RESID 160 (T): C 178.300 178.300 175.990 2.310 RESID 160 (T): CA 61.930 61.930 63.125 -1.195 RESID 160 (T): CB 71.830 71.830 69.198 2.632 RESID 161 (G): N 113.600 113.600 113.856 -0.256 RESID 161 (G): C 174.600 174.600 174.143 0.457 RESID 161 (G): CA 48.130 48.130 46.897 1.233 RESID 161 (G): H 8.114 8.114 8.995 -0.881 RESID 162 (H): N 121.000 121.000 115.964 5.036 RESID 162 (H): C 174.000 174.000 176.151 -2.151 RESID 162 (H): CA 55.370 55.370 55.816 -0.446 RESID 162 (H): CB 28.280 28.280 31.268 -2.988 RESID 162 (H): H 8.506 8.506 7.833 0.673 RESID 163 (E): N 123.900 123.900 122.157 1.743 RESID 163 (E): C 180.800 180.800 178.470 2.330 RESID 163 (E): CA 61.160 61.160 59.718 1.442 RESID 163 (E): CB 28.720 28.720 29.159 -0.439 RESID 163 (E): H 10.300 10.300 8.778 1.522 RESID 164 (K): N 120.600 120.600 120.401 0.199 RESID 164 (K): C 178.700 178.700 178.786 -0.086 RESID 164 (K): CA 59.590 59.590 60.056 -0.466 RESID 164 (K): CB 32.280 32.280 31.973 0.307 RESID 164 (K): H 8.789 8.789 8.393 0.396 RESID 165 (Q): N 119.500 119.500 117.273 2.227 RESID 165 (Q): C 178.800 178.800 178.129 0.671 RESID 165 (Q): CA 60.870 60.870 58.841 2.029 RESID 165 (Q): CB 28.120 28.120 28.381 -0.261 RESID 165 (Q): H 8.058 8.058 8.547 -0.489 RESID 166 (A): N 121.100 121.100 122.419 -1.319 RESID 166 (A): C 178.000 178.000 179.428 -1.428 RESID 166 (A): CA 56.280 56.280 54.954 1.326 RESID 166 (A): CB 18.300 18.300 18.074 0.226 RESID 166 (A): H 7.873 7.873 7.957 -0.084 RESID 167 (A): N 117.900 117.900 120.940 -3.040 RESID 167 (A): C 181.500 181.500 179.608 1.892 RESID 167 (A): CA 55.100 55.100 55.261 -0.161 RESID 167 (A): CB 17.860 17.860 18.166 -0.306 RESID 167 (A): H 7.642 7.642 8.758 -1.116 RESID 168 (E): N 120.100 120.100 118.566 1.534 RESID 168 (E): C 179.600 179.600 179.133 0.467 RESID 168 (E): CA 59.610 59.610 59.618 -0.008 RESID 168 (E): CB 29.790 29.790 29.334 0.456 RESID 168 (E): H 8.230 8.230 7.908 0.322 RESID 170 (I): C 177.700 177.700 177.704 -0.004 RESID 170 (I): CA 66.880 66.880 65.305 1.575 RESID 170 (I): CB 39.310 39.310 37.956 1.355 RESID 171 (A): N 120.700 120.700 123.187 -2.487 RESID 171 (A): C 181.200 181.200 179.836 1.364 RESID 171 (A): CA 55.290 55.290 55.647 -0.357 RESID 171 (A): CB 18.260 18.260 18.111 0.149 RESID 171 (A): H 8.000 8.000 8.784 -0.784 RESID 172 (Q): N 120.600 120.600 118.029 2.571 RESID 172 (Q): C 179.200 179.200 178.587 0.613 RESID 172 (Q): CA 59.210 59.210 58.500 0.710 RESID 172 (Q): CB 28.340 28.340 28.601 -0.261 RESID 172 (Q): H 8.585 8.585 7.940 0.645 RESID 173 (F): N 122.500 122.500 122.610 -0.110 RESID 173 (F): C 176.400 176.400 177.416 -1.016 RESID 173 (F): CA 62.710 62.710 61.114 1.596 RESID 173 (F): CB 39.490 39.490 39.130 0.360 RESID 173 (F): H 8.457 8.457 8.785 -0.328 RESID 174 (D): N 121.000 121.000 120.123 0.877 RESID 174 (D): C 180.300 180.300 178.886 1.414 RESID 174 (D): CA 58.040 58.040 57.501 0.539 RESID 174 (D): CB 40.160 40.160 40.256 -0.096 RESID 174 (D): H 8.771 8.771 9.041 -0.270 RESID 175 (K): N 121.300 121.300 120.222 1.078 RESID 175 (K): C 179.800 179.800 178.641 1.159 RESID 175 (K): CA 59.630 59.630 59.645 -0.015 RESID 175 (K): CB 32.710 32.710 32.397 0.313 RESID 175 (K): H 8.125 8.125 8.196 -0.071 RESID 176 (Q): N 121.600 121.600 119.499 2.101 RESID 176 (Q): C 179.100 179.100 178.336 0.764 RESID 176 (Q): CA 58.460 58.460 58.937 -0.477 RESID 176 (Q): CB 27.990 27.990 28.525 -0.535 RESID 176 (Q): H 8.164 8.164 7.817 0.347 RESID 177 (L): N 125.600 125.600 119.610 5.990 RESID 177 (L): C 178.400 178.400 178.670 -0.270 RESID 177 (L): CA 59.890 59.890 57.236 2.654 RESID 177 (L): CB 41.200 41.200 41.364 -0.164 RESID 177 (L): H 8.944 8.944 7.734 1.210 RESID 178 (A): N 121.500 121.500 122.555 -1.055 RESID 178 (A): C 180.600 180.600 179.237 1.363 RESID 178 (A): CA 55.390 55.390 55.196 0.194 RESID 178 (A): CB 17.970 17.970 17.887 0.083 RESID 178 (A): H 7.690 7.690 8.252 -0.562 RESID 179 (A): N 120.200 120.200 120.974 -0.774 RESID 179 (A): C 180.600 180.600 179.881 0.719 RESID 179 (A): CA 54.860 54.860 54.522 0.338 RESID 179 (A): CB 18.190 18.190 18.598 -0.408 RESID 179 (A): H 7.706 7.706 7.657 0.049 RESID 180 (A): N 121.800 121.800 121.816 -0.016 RESID 180 (A): C 179.200 179.200 179.106 0.094 RESID 180 (A): CA 55.490 55.490 54.739 0.751 RESID 180 (A): CB 17.920 17.920 18.194 -0.274 RESID 180 (A): H 8.171 8.171 7.991 0.180 RESID 181 (K): N 118.100 118.100 117.935 0.165 RESID 181 (K): C 178.000 178.000 178.093 -0.093 RESID 181 (K): CA 59.830 59.830 59.202 0.628 RESID 181 (K): CB 33.340 33.340 32.640 0.700 RESID 181 (K): H 8.342 8.342 8.305 0.037 RESID 182 (E): N 114.400 114.400 116.544 -2.144 RESID 182 (E): C 177.300 177.300 177.430 -0.130 RESID 182 (E): CA 57.870 57.870 57.116 0.754 RESID 182 (E): CB 30.320 30.320 29.239 1.081 RESID 182 (E): H 7.153 7.153 7.726 -0.573 RESID 183 (Q): N 116.700 116.700 117.388 -0.688 RESID 183 (Q): C 177.200 177.200 176.171 1.029 RESID 183 (Q): CA 57.060 57.060 56.824 0.236 RESID 183 (Q): CB 31.550 31.550 31.131 0.419 RESID 183 (Q): H 7.458 7.458 7.632 -0.174 RESID 184 (I): N 117.800 117.800 115.849 1.951 RESID 184 (I): C 175.200 175.200 174.238 0.962 RESID 184 (I): CA 63.000 63.000 59.740 3.260 RESID 184 (I): CB 40.300 40.300 39.965 0.335 RESID 184 (I): H 7.723 7.723 7.428 0.295 RESID 185 (K): N 127.700 127.700 122.925 4.775 RESID 185 (K): C 175.600 175.600 175.629 -0.029 RESID 185 (K): CA 54.550 54.550 55.128 -0.578 RESID 185 (K): CB 31.600 31.600 34.506 -2.906 RESID 185 (K): H 8.743 8.743 7.909 0.834 RESID 186 (L): N 124.700 124.700 125.731 -1.031 RESID 186 (L): C 175.700 175.700 175.920 -0.220 RESID 186 (L): CA 54.240 54.240 51.898 2.342 RESID 186 (L): CB 41.050 41.050 40.683 0.367 RESID 186 (L): H 8.051 8.051 8.477 -0.426 RESID 188 (P): C 174.800 174.800 176.264 -1.464 RESID 188 (P): CA 65.060 65.060 63.583 1.477 RESID 188 (P): CB 32.670 32.670 31.634 1.036 RESID 189 (Q): N 121.300 121.300 121.089 0.211 RESID 189 (Q): C 174.800 174.800 172.933 1.867 RESID 189 (Q): CA 52.330 52.330 54.731 -2.401 RESID 189 (Q): CB 31.350 31.350 30.357 0.993 RESID 189 (Q): H 8.061 8.061 8.225 -0.164 RESID 190 (P): C 175.500 175.500 175.560 -0.060 RESID 190 (P): CA 62.820 62.820 62.465 0.354 RESID 190 (P): CB 35.450 35.450 32.821 2.629 RESID 191 (V): N 112.600 112.600 121.544 -8.944 RESID 191 (V): C 174.300 174.300 173.967 0.333 RESID 191 (V): CA 59.740 59.740 59.529 0.211 RESID 191 (V): CB 35.030 35.030 34.686 0.344 RESID 191 (V): H 9.214 9.214 8.508 0.706 RESID 192 (T): N 120.700 120.700 113.348 7.352 RESID 192 (T): C 172.300 172.300 172.087 0.213 RESID 192 (T): CA 63.030 63.030 59.529 3.501 RESID 192 (T): CB 71.550 71.550 71.253 0.297 RESID 192 (T): H 8.462 8.462 8.328 0.134 RESID 193 (A): N 132.900 132.900 123.003 9.897 RESID 193 (A): C 175.400 175.400 175.400 0.000 RESID 193 (A): CA 50.570 50.570 51.127 -0.557 RESID 193 (A): CB 21.140 21.140 21.441 -0.301 RESID 193 (A): H 10.170 10.170 8.561 1.609 RESID 194 (I): N 115.400 115.400 117.477 -2.077 RESID 194 (I): C 176.600 176.600 173.699 2.901 RESID 194 (I): CA 59.540 59.540 59.993 -0.453 RESID 194 (I): CB 43.930 43.930 42.117 1.813 RESID 194 (I): H 9.269 9.269 8.520 0.749 RESID 195 (V): N 118.500 118.500 122.787 -4.287 RESID 195 (V): C 176.200 176.200 174.069 2.131 RESID 195 (V): CA 63.190 63.190 61.374 1.816 RESID 195 (V): CB 34.870 34.870 34.673 0.197 RESID 195 (V): H 8.484 8.484 8.626 -0.142 RESID 196 (Y): N 132.200 132.200 129.484 2.716 RESID 196 (Y): C 174.700 174.700 174.144 0.556 RESID 196 (Y): CA 57.000 57.000 57.411 -0.411 RESID 196 (Y): CB 41.250 41.250 40.157 1.093 RESID 196 (Y): H 9.989 9.989 8.971 1.018 RESID 197 (T): N 124.900 124.900 123.399 1.501 RESID 197 (T): C 174.300 174.300 173.367 0.933 RESID 197 (T): CA 60.740 60.740 60.623 0.117 RESID 197 (T): CB 68.560 68.560 71.597 -3.037 RESID 197 (T): H 8.262 8.262 7.822 0.440 RESID 198 (A): N 130.500 130.500 130.808 -0.308 RESID 198 (A): C 180.400 180.400 179.175 1.225 RESID 198 (A): CA 55.510 55.510 54.334 1.176 RESID 198 (A): CB 18.480 18.480 18.387 0.093 RESID 198 (A): H 8.524 8.524 8.840 -0.316 RESID 199 (A): N 118.700 118.700 123.464 -4.764 RESID 199 (A): C 177.700 177.700 178.730 -1.030 RESID 199 (A): CA 54.350 54.350 54.847 -0.497 RESID 199 (A): CB 18.350 18.350 17.964 0.386 RESID 199 (A): H 8.578 8.578 8.273 0.305 RESID 200 (A): N 116.700 116.700 120.563 -3.863 RESID 200 (A): C 176.600 176.600 177.246 -0.646 RESID 200 (A): CA 51.290 51.290 52.097 -0.807 RESID 200 (A): CB 20.180 20.180 18.853 1.327 RESID 200 (A): H 6.638 6.638 8.097 -1.459 RESID 201 (H): N 116.900 116.900 116.471 0.429 RESID 201 (H): C 172.900 172.900 173.403 -0.503 RESID 201 (H): CA 56.710 56.710 56.331 0.379 RESID 201 (H): CB 27.820 27.820 28.247 -0.427 RESID 201 (H): H 7.569 7.569 7.759 -0.190 RESID 202 (S): N 110.500 110.500 114.468 -3.968 RESID 202 (S): C 171.500 171.500 171.455 0.045 RESID 202 (S): CA 56.530 56.530 57.598 -1.068 RESID 202 (S): CB 66.170 66.170 66.295 -0.125 RESID 202 (S): H 7.109 7.109 7.795 -0.686 RESID 203 (A): N 120.900 120.900 123.882 -2.982 RESID 203 (A): C 174.900 174.900 175.281 -0.381 RESID 203 (A): CA 50.890 50.890 51.422 -0.533 RESID 203 (A): CB 24.510 24.510 22.201 2.308 RESID 203 (A): H 8.618 8.618 8.305 0.313 RESID 204 (N): N 118.900 118.900 118.841 0.059 RESID 204 (N): C 173.300 173.300 173.452 -0.152 RESID 204 (N): CA 51.520 51.520 52.060 -0.541 RESID 204 (N): CB 40.080 40.080 42.149 -2.069 RESID 204 (N): H 8.333 8.333 8.204 0.129 RESID 205 (L): N 127.200 127.200 121.722 5.478 RESID 205 (L): C 175.700 175.700 175.562 0.138 RESID 205 (L): CA 54.920 54.920 54.063 0.857 RESID 205 (L): CB 44.180 44.180 42.623 1.558 RESID 205 (L): H 9.265 9.265 7.606 1.659 RESID 206 (W): N 125.300 125.300 123.664 1.636 RESID 206 (W): C 177.100 177.100 176.446 0.654 RESID 206 (W): CA 56.630 56.630 57.384 -0.754 RESID 206 (W): CB 29.690 29.690 30.816 -1.126 RESID 206 (W): H 8.560 8.560 7.915 0.645 RESID 207 (T): N 112.000 112.000 110.207 1.793 RESID 207 (T): C 176.100 176.100 173.284 2.816 RESID 207 (T): CA 60.120 60.120 59.229 0.891 RESID 207 (T): CB 68.540 68.540 70.399 -1.859 RESID 207 (T): H 8.029 8.029 8.140 -0.111 RESID 208 (P): C 176.000 176.000 176.848 -0.848 RESID 208 (P): CA 66.120 66.120 65.392 0.728 RESID 208 (P): CB 31.950 31.950 32.173 -0.223 RESID 209 (E): N 112.300 112.300 115.023 -2.723 RESID 209 (E): C 177.100 177.100 176.825 0.275 RESID 209 (E): CA 57.280 57.280 57.224 0.056 RESID 209 (E): CB 29.760 29.760 30.153 -0.393 RESID 209 (E): H 7.612 7.612 7.973 -0.361 RESID 210 (S): N 115.800 115.800 115.103 0.697 RESID 210 (S): C 173.900 173.900 175.547 -1.647 RESID 210 (S): CA 58.060 58.060 59.197 -1.137 RESID 210 (S): CB 67.320 67.320 64.488 2.832 RESID 210 (S): H 7.654 7.654 7.433 0.221 RESID 211 (A): N 125.200 125.200 127.427 -2.227 RESID 211 (A): C 180.600 180.600 179.867 0.733 RESID 211 (A): CA 55.410 55.410 55.338 0.072 RESID 211 (A): CB 18.530 18.530 18.779 -0.248 RESID 211 (A): H 8.874 8.874 9.049 -0.175 RESID 212 (Q): N 119.200 119.200 118.646 0.554 RESID 212 (Q): C 177.100 177.100 178.029 -0.929 RESID 212 (Q): CA 61.410 61.410 58.995 2.415 RESID 212 (Q): CB 27.090 27.090 27.435 -0.345 RESID 212 (Q): H 8.493 8.493 8.498 -0.005 RESID 213 (G): N 107.500 107.500 107.653 -0.153 RESID 213 (G): C 175.400 175.400 176.323 -0.923 RESID 213 (G): CA 47.520 47.520 46.840 0.680 RESID 213 (G): H 8.053 8.053 8.282 -0.229 RESID 214 (Q): N 120.700 120.700 121.494 -0.794 RESID 214 (Q): C 179.000 179.000 178.395 0.605 RESID 214 (Q): CA 59.150 59.150 58.885 0.265 RESID 214 (Q): CB 29.110 29.110 28.700 0.410 RESID 214 (Q): H 8.501 8.501 8.076 0.425 RESID 215 (M): N 119.200 119.200 120.622 -1.422 RESID 215 (M): C 177.800 177.800 178.187 -0.387 RESID 215 (M): CA 59.760 59.760 59.649 0.111 RESID 215 (M): CB 32.050 32.050 32.856 -0.806 RESID 215 (M): H 7.878 7.878 8.224 -0.346 RESID 216 (L): N 115.800 115.800 118.847 -3.047 RESID 216 (L): C 179.900 179.900 179.034 0.866 RESID 216 (L): CA 58.160 58.160 57.669 0.491 RESID 216 (L): CB 40.010 40.010 41.457 -1.447 RESID 216 (L): H 7.517 7.517 8.035 -0.518 RESID 217 (E): N 121.000 121.000 119.677 1.323 RESID 217 (E): C 182.200 182.200 179.278 2.922 RESID 217 (E): CA 60.210 60.210 58.938 1.272 RESID 217 (E): CB 29.150 29.150 29.424 -0.274 RESID 217 (E): H 8.377 8.377 8.228 0.149 RESID 218 (Q): N 122.300 122.300 117.148 5.152 RESID 218 (Q): C 178.100 178.100 178.903 -0.803 RESID 218 (Q): CA 59.220 59.220 58.276 0.944 RESID 218 (Q): CB 28.850 28.850 29.119 -0.269 RESID 218 (Q): H 8.464 8.464 7.924 0.540 RESID 219 (L): N 118.400 118.400 117.799 0.601 RESID 219 (L): C 175.200 175.200 177.434 -2.234 RESID 219 (L): CA 55.880 55.880 57.244 -1.364 RESID 219 (L): CB 44.330 44.330 42.879 1.451 RESID 219 (L): H 7.433 7.433 7.783 -0.350 RESID 220 (G): N 104.600 104.600 102.725 1.875 RESID 220 (G): C 174.700 174.700 172.900 1.800 RESID 220 (G): CA 44.750 44.750 44.692 0.058 RESID 220 (G): H 7.777 7.777 8.187 -0.410 RESID 221 (F): N 119.100 119.100 118.722 0.378 RESID 221 (F): C 175.200 175.200 174.089 1.111 RESID 221 (F): CA 57.900 57.900 55.995 1.905 RESID 221 (F): CB 38.930 38.930 42.591 -3.661 RESID 221 (F): H 8.001 8.001 7.783 0.218 RESID 222 (T): N 117.600 117.600 116.168 1.432 RESID 222 (T): C 173.900 173.900 173.474 0.426 RESID 222 (T): CA 61.790 61.790 61.321 0.470 RESID 222 (T): CB 71.360 71.360 69.591 1.769 RESID 222 (T): H 8.961 8.961 8.737 0.224 RESID 223 (L): N 128.300 128.300 127.042 1.258 RESID 223 (L): C 178.300 178.300 176.641 1.659 RESID 223 (L): CA 54.760 54.760 53.402 1.358 RESID 223 (L): CB 41.600 41.600 42.782 -1.182 RESID 223 (L): H 9.269 9.269 8.220 1.049 RESID 224 (A): N 126.800 126.800 128.046 -1.246 RESID 224 (A): C 177.400 177.400 175.861 1.539 RESID 224 (A): CA 52.460 52.460 50.978 1.482 RESID 224 (A): CB 18.650 18.650 20.843 -2.193 RESID 224 (A): H 9.077 9.077 8.124 0.953 RESID 225 (K): N 123.400 123.400 121.175 2.225 RESID 225 (K): C 176.800 176.800 176.194 0.606 RESID 225 (K): CA 55.600 55.600 55.589 0.011 RESID 225 (K): CB 33.080 33.080 32.888 0.193 RESID 225 (K): H 8.601 8.601 8.365 0.236 RESID 226 (L): N 126.200 126.200 128.019 -1.819 RESID 226 (L): C 175.500 175.500 175.605 -0.105 RESID 226 (L): CA 53.420 53.420 53.950 -0.530 RESID 226 (L): CB 41.720 41.720 41.251 0.469 RESID 226 (L): H 8.634 8.634 8.518 0.116 RESID 227 (P): C 176.800 176.800 177.062 -0.262 RESID 227 (P): CA 62.860 62.860 62.895 -0.035 RESID 227 (P): CB 32.360 32.360 32.184 0.176 RESID 228 (A): N 124.900 124.900 124.831 0.069 RESID 228 (A): C 179.500 179.500 178.461 1.039 RESID 228 (A): CA 54.120 54.120 53.392 0.728 RESID 228 (A): CB 18.710 18.710 18.700 0.010 RESID 228 (A): H 8.412 8.412 8.510 -0.098 RESID 229 (G): N 107.700 107.700 107.480 0.220 RESID 229 (G): C 175.000 175.000 175.981 -0.981 RESID 229 (G): CA 46.040 46.040 45.422 0.618 RESID 229 (G): H 8.565 8.565 8.092 0.473 RESID 230 (L): N 121.100 121.100 122.319 -1.219 RESID 230 (L): C 176.900 176.900 178.328 -1.428 RESID 230 (L): CA 55.620 55.620 55.509 0.111 RESID 230 (L): CB 42.630 42.630 41.691 0.938 RESID 230 (L): H 7.454 7.454 7.877 -0.423 RESID 231 (N): N 119.400 119.400 119.849 -0.449 RESID 231 (N): C 175.300 175.300 175.905 -0.605 RESID 231 (N): CA 53.650 53.650 56.144 -2.494 RESID 231 (N): CB 38.940 38.940 37.999 0.941 RESID 231 (N): H 8.211 8.211 8.031 0.180 RESID 232 (A): N 124.500 124.500 119.563 4.937 RESID 232 (A): C 178.100 178.100 178.072 0.028 RESID 232 (A): CA 53.110 53.110 51.693 1.417 RESID 232 (A): CB 19.340 19.340 18.041 1.299 RESID 232 (A): H 8.103 8.103 7.932 0.171 RESID 233 (S): N 115.200 115.200 115.242 -0.042 RESID 233 (S): C 175.100 175.100 175.581 -0.481 RESID 233 (S): CA 59.280 59.280 60.977 -1.697 RESID 233 (S): CB 64.280 64.280 63.330 0.950 RESID 233 (S): H 8.169 8.169 8.449 -0.280 RESID 234 (Q): N 122.100 122.100 120.639 1.461 RESID 234 (Q): C 176.400 176.400 175.696 0.704 RESID 234 (Q): CA 56.240 56.240 56.060 0.180 RESID 234 (Q): CB 29.490 29.490 30.815 -1.325 RESID 234 (Q): H 8.230 8.230 7.779 0.451 RESID 235 (S): N 117.100 117.100 118.078 -0.978 RESID 235 (S): C 174.900 174.900 174.656 0.244 RESID 235 (S): CA 58.910 58.910 58.895 0.015 RESID 235 (S): CB 64.510 64.510 62.883 1.627 RESID 235 (S): H 8.229 8.229 8.435 -0.206 RESID 236 (Q): N 122.300 122.300 127.098 -4.798 RESID 236 (Q): C 176.700 176.700 175.433 1.267 RESID 236 (Q): CA 56.610 56.610 55.500 1.110 RESID 236 (Q): CB 29.280 29.280 27.637 1.643 RESID 236 (Q): H 8.372 8.372 8.854 -0.482 RESID 237 (G): N 110.400 110.400 109.034 1.366 RESID 237 (G): C 174.100 174.100 172.958 1.142 RESID 237 (G): CA 45.720 45.720 45.472 0.248 RESID 237 (G): H 8.381 8.381 7.584 0.797 RESID 238 (K): N 120.500 120.500 121.493 -0.993 RESID 238 (K): C 176.600 176.600 175.490 1.110 RESID 238 (K): CA 56.490 56.490 56.002 0.489 RESID 238 (K): CB 33.320 33.320 32.768 0.552 RESID 238 (K): H 7.968 7.968 8.361 -0.393 RESID 239 (R): N 120.900 120.900 124.976 -4.076 RESID 239 (R): CA 56.130 56.130 55.940 0.190 RESID 239 (R): CB 31.560 31.560 30.902 0.657 RESID 239 (R): H 8.159 8.159 8.500 -0.341 RESID 240 (H): C 174.800 174.800 176.527 -1.727 RESID 240 (H): CA 55.740 55.740 58.613 -2.873 RESID 240 (H): CB 29.760 29.760 30.066 -0.305 RESID 241 (D): N 119.800 119.800 119.217 0.583 RESID 241 (D): C 174.700 174.700 176.277 -1.577 RESID 241 (D): CA 55.500 55.500 55.992 -0.492 RESID 241 (D): CB 40.550 40.550 41.218 -0.667 RESID 241 (D): H 9.052 9.052 8.388 0.664 RESID 242 (I): N 115.200 115.200 114.958 0.242 RESID 242 (I): C 175.600 175.600 174.376 1.224 RESID 242 (I): CA 59.090 59.090 59.388 -0.298 RESID 242 (I): CB 43.670 43.670 40.908 2.762 RESID 242 (I): H 7.087 7.087 7.403 -0.316 RESID 243 (I): N 125.100 125.100 126.006 -0.906 RESID 243 (I): C 175.300 175.300 174.257 1.043 RESID 243 (I): CA 60.340 60.340 60.631 -0.291 RESID 243 (I): CB 41.290 41.290 38.388 2.902 RESID 243 (I): H 8.746 8.746 8.525 0.221 RESID 244 (Q): N 128.400 128.400 127.510 0.890 RESID 244 (Q): C 175.300 175.300 174.244 1.056 RESID 244 (Q): CA 56.460 56.460 54.920 1.540 RESID 244 (Q): CB 29.800 29.800 29.813 -0.013 RESID 244 (Q): H 8.768 8.768 8.593 0.175 RESID 245 (L): N 125.500 125.500 123.510 1.990 RESID 245 (L): C 176.200 176.200 176.606 -0.406 RESID 245 (L): CA 53.790 53.790 53.113 0.677 RESID 245 (L): CB 45.100 45.100 44.862 0.238 RESID 245 (L): H 8.640 8.640 8.355 0.285 RESID 246 (G): N 109.700 109.700 105.043 4.657 RESID 246 (G): C 174.200 174.200 174.329 -0.129 RESID 246 (G): CA 44.590 44.590 45.027 -0.437 RESID 246 (G): H 8.424 8.424 8.440 -0.016 RESID 247 (G): N 108.500 108.500 108.649 -0.149 RESID 247 (G): C 176.800 176.800 174.983 1.817 RESID 247 (G): CA 47.500 47.500 44.354 3.146 RESID 247 (G): H 8.666 8.666 7.736 0.930 RESID 248 (E): N 123.700 123.700 121.147 2.553 RESID 248 (E): C 177.300 177.300 176.536 0.764 RESID 248 (E): CA 58.560 58.560 57.488 1.072 RESID 248 (E): CB 29.330 29.330 29.292 0.038 RESID 248 (E): H 9.265 9.265 8.805 0.460 RESID 249 (N): N 116.700 116.700 116.315 0.385 RESID 249 (N): C 175.500 175.500 175.990 -0.490 RESID 249 (N): CA 53.490 53.490 53.727 -0.236 RESID 249 (N): CB 39.390 39.390 38.660 0.730 RESID 249 (N): H 7.963 7.963 7.535 0.428 RESID 250 (L): N 121.100 121.100 119.934 1.166 RESID 250 (L): C 177.100 177.100 178.095 -0.995 RESID 250 (L): CA 58.810 58.810 56.996 1.814 RESID 250 (L): CB 42.220 42.220 41.458 0.762 RESID 250 (L): H 7.104 7.104 7.782 -0.678 RESID 251 (A): N 117.400 117.400 122.449 -5.049 RESID 251 (A): C 179.500 179.500 178.163 1.337 RESID 251 (A): CA 55.340 55.340 54.651 0.689 RESID 251 (A): CB 17.960 17.960 18.388 -0.428 RESID 251 (A): H 8.141 8.141 8.309 -0.168 RESID 252 (A): N 117.400 117.400 118.585 -1.185 RESID 252 (A): C 179.100 179.100 178.319 0.781 RESID 252 (A): CA 53.990 53.990 52.367 1.623 RESID 252 (A): CB 18.970 18.970 18.978 -0.008 RESID 252 (A): H 7.375 7.375 8.408 -1.033 RESID 253 (G): N 100.600 100.600 107.912 -7.312 RESID 253 (G): C 172.700 172.700 174.799 -2.099 RESID 253 (G): CA 45.380 45.380 45.023 0.357 RESID 253 (G): H 7.589 7.589 7.558 0.031 RESID 254 (L): N 124.800 124.800 122.850 1.950 RESID 254 (L): C 175.300 175.300 177.574 -2.274 RESID 254 (L): CA 53.020 53.020 54.858 -1.838 RESID 254 (L): CB 39.090 39.090 42.094 -3.004 RESID 254 (L): H 7.202 7.202 7.779 -0.577 RESID 255 (N): N 113.800 113.800 121.890 -8.090 RESID 255 (N): C 176.600 176.600 176.063 0.537 RESID 255 (N): CA 53.420 53.420 53.824 -0.404 RESID 255 (N): CB 37.600 37.600 38.795 -1.195 RESID 255 (N): H 7.701 7.701 8.906 -1.205 RESID 256 (G): N 109.100 109.100 106.588 2.512 RESID 256 (G): C 172.200 172.200 174.591 -2.391 RESID 256 (G): CA 45.790 45.790 45.329 0.461 RESID 256 (G): H 7.856 7.856 8.552 -0.696 RESID 257 (E): N 120.100 120.100 118.836 1.264 RESID 257 (E): C 176.900 176.900 175.593 1.307 RESID 257 (E): CA 57.880 57.880 56.631 1.249 RESID 257 (E): CB 29.760 29.760 30.575 -0.815 RESID 257 (E): H 8.443 8.443 8.638 -0.195 RESID 258 (S): N 107.500 107.500 113.701 -6.201 RESID 258 (S): C 172.500 172.500 172.419 0.081 RESID 258 (S): CA 58.010 58.010 58.538 -0.528 RESID 258 (S): CB 66.360 66.360 63.799 2.561 RESID 258 (S): H 7.176 7.176 8.016 -0.840 RESID 259 (L): N 124.900 124.900 127.615 -2.715 RESID 259 (L): C 173.900 173.900 176.449 -2.549 RESID 259 (L): CA 53.630 53.630 54.360 -0.730 RESID 259 (L): CB 46.240 46.240 42.374 3.865 RESID 259 (L): H 8.969 8.969 8.046 0.923 RESID 260 (F): N 123.700 123.700 122.994 0.706 RESID 260 (F): C 174.200 174.200 176.019 -1.819 RESID 260 (F): CA 56.460 56.460 54.938 1.522 RESID 260 (F): CB 41.560 41.560 40.510 1.050 RESID 260 (F): H 9.295 9.295 8.139 1.156 RESID 261 (L): N 123.900 123.900 120.109 3.791 RESID 261 (L): C 177.600 177.600 177.057 0.543 RESID 261 (L): CA 54.010 54.010 53.189 0.821 RESID 261 (L): CB 41.470 41.470 45.505 -4.035 RESID 261 (L): H 9.034 9.034 8.181 0.853 RESID 262 (F): N 123.800 123.800 122.336 1.464 RESID 262 (F): C 175.500 175.500 175.635 -0.135 RESID 262 (F): CA 58.850 58.850 56.797 2.053 RESID 262 (F): CB 39.930 39.930 38.494 1.436 RESID 262 (F): H 9.338 9.338 9.065 0.273 RESID 263 (A): N 121.900 121.900 124.053 -2.153 RESID 263 (A): C 175.300 175.300 177.022 -1.722 RESID 263 (A): CA 53.630 53.630 52.680 0.950 RESID 263 (A): CB 19.700 19.700 16.806 2.894 RESID 263 (A): H 8.902 8.902 8.249 0.653 RESID 264 (G): N 104.500 104.500 111.563 -7.063 RESID 264 (G): C 171.100 171.100 172.730 -1.630 RESID 264 (G): CA 45.540 45.540 45.041 0.499 RESID 264 (G): H 6.746 6.746 7.869 -1.123 RESID 265 (D): N 122.300 122.300 122.636 -0.336 RESID 265 (D): C 177.300 177.300 177.268 0.032 RESID 265 (D): CA 51.660 51.660 52.777 -1.117 RESID 265 (D): CB 42.840 42.840 42.248 0.592 RESID 265 (D): H 9.052 9.052 8.131 0.921 RESID 266 (Q): N 118.400 118.400 119.615 -1.215 RESID 266 (Q): C 177.600 177.600 177.450 0.150 RESID 266 (Q): CA 58.620 58.620 59.066 -0.446 RESID 266 (Q): CB 28.490 28.490 28.648 -0.159 RESID 266 (Q): H 8.277 8.277 8.604 -0.327 RESID 267 (K): N 117.700 117.700 118.763 -1.063 RESID 267 (K): C 180.400 180.400 178.078 2.322 RESID 267 (K): CA 59.390 59.390 59.550 -0.160 RESID 267 (K): CB 31.440 31.440 31.783 -0.343 RESID 267 (K): H 7.879 7.879 7.919 -0.040 RESID 268 (D): N 121.600 121.600 119.654 1.946 RESID 268 (D): C 177.400 177.400 178.340 -0.940 RESID 268 (D): CA 57.980 57.980 56.971 1.009 RESID 268 (D): CB 41.550 41.550 40.253 1.297 RESID 268 (D): H 7.640 7.640 8.110 -0.470 RESID 269 (A): N 121.700 121.700 121.490 0.210 RESID 269 (A): C 179.000 179.000 178.419 0.581 RESID 269 (A): CA 55.640 55.640 54.924 0.716 RESID 269 (A): CB 17.490 17.490 18.193 -0.703 RESID 269 (A): H 7.370 7.370 7.619 -0.249 RESID 270 (D): N 118.200 118.200 117.988 0.212 RESID 270 (D): C 179.300 179.300 176.511 2.789 RESID 270 (D): CA 57.570 57.570 56.303 1.267 RESID 270 (D): CB 39.860 39.860 40.244 -0.384 RESID 270 (D): H 8.735 8.735 7.956 0.779 RESID 271 (A): N 122.900 122.900 119.901 2.999 RESID 271 (A): C 180.800 180.800 179.323 1.477 RESID 271 (A): CA 55.040 55.040 53.570 1.470 RESID 271 (A): CB 18.300 18.300 19.309 -1.009 RESID 271 (A): H 7.579 7.579 7.027 0.552 RESID 272 (I): N 0.000 0.000 120.463 -120.463 RESID 272 (I): C 178.300 178.300 176.951 1.349 RESID 272 (I): CA 63.880 63.880 64.659 -0.779 RESID 272 (I): CB 35.710 35.710 38.128 -2.418 RESID 272 (I): H 7.340 7.340 8.390 -1.050 RESID 273 (Y): N 116.300 116.300 116.971 -0.671 RESID 273 (Y): C 177.000 177.000 176.782 0.218 RESID 273 (Y): CA 61.100 61.100 58.281 2.819 RESID 273 (Y): CB 37.770 37.770 35.829 1.941 RESID 273 (Y): H 7.509 7.509 7.287 0.222 RESID 274 (A): N 118.600 118.600 121.844 -3.244 RESID 274 (A): C 177.200 177.200 177.180 0.020 RESID 274 (A): CA 52.030 52.030 53.002 -0.972 RESID 274 (A): CB 19.580 19.580 19.414 0.166 RESID 274 (A): H 7.495 7.495 7.834 -0.339 RESID 275 (N): N 119.900 119.900 118.240 1.660 RESID 275 (N): C 175.700 175.700 174.012 1.688 RESID 275 (N): CA 51.030 51.030 51.374 -0.344 RESID 275 (N): CB 38.590 38.590 37.038 1.552 RESID 275 (N): H 7.200 7.200 7.960 -0.760 RESID 276 (P): C 178.900 178.900 178.492 0.408 RESID 276 (P): CA 65.190 65.190 65.460 -0.270 RESID 276 (P): CB 32.440 32.440 32.040 0.400 RESID 277 (L): N 116.700 116.700 117.416 -0.716 RESID 277 (L): C 178.000 178.000 178.909 -0.909 RESID 277 (L): CA 56.630 56.630 57.544 -0.914 RESID 277 (L): CB 41.720 41.720 41.509 0.211 RESID 277 (L): H 7.777 7.777 7.923 -0.146 RESID 278 (L): N 115.100 115.100 116.569 -1.469 RESID 278 (L): C 176.600 176.600 177.857 -1.257 RESID 278 (L): CA 53.200 53.200 54.913 -1.712 RESID 278 (L): CB 40.960 40.960 41.294 -0.334 RESID 278 (L): H 7.485 7.485 7.681 -0.196 RESID 279 (A): N 118.600 118.600 123.120 -4.520 RESID 279 (A): C 177.700 177.700 177.810 -0.110 RESID 279 (A): CA 55.090 55.090 54.371 0.719 RESID 279 (A): CB 19.710 19.710 18.605 1.105 RESID 279 (A): H 6.665 6.665 7.896 -1.231 RESID 280 (H): N 111.600 111.600 115.286 -3.686 RESID 280 (H): C 175.500 175.500 175.206 0.294 RESID 280 (H): CA 55.360 55.360 56.241 -0.881 RESID 280 (H): CB 29.540 29.540 28.641 0.899 RESID 280 (H): H 8.337 8.337 8.204 0.133 RESID 281 (L): N 124.100 124.100 122.527 1.573 RESID 281 (L): C 176.300 176.300 175.872 0.428 RESID 281 (L): CA 53.330 53.330 52.971 0.359 RESID 281 (L): CB 40.490 40.490 41.940 -1.450 RESID 281 (L): H 7.289 7.289 7.445 -0.156 RESID 282 (P): C 178.200 178.200 178.381 -0.181 RESID 282 (P): CA 66.050 66.050 65.697 0.353 RESID 282 (P): CB 32.150 32.150 31.719 0.431 RESID 283 (A): N 116.000 116.000 119.180 -3.180 RESID 283 (A): C 179.000 179.000 179.833 -0.833 RESID 283 (A): CA 55.630 55.630 55.193 0.437 RESID 283 (A): CB 19.490 19.490 18.183 1.307 RESID 283 (A): H 7.969 7.969 8.426 -0.457 RESID 284 (V): N 115.200 115.200 118.504 -3.304 RESID 284 (V): C 180.000 180.000 178.929 1.071 RESID 284 (V): CA 65.640 65.640 65.889 -0.249 RESID 284 (V): CB 32.560 32.560 30.829 1.731 RESID 284 (V): H 6.557 6.557 7.682 -1.125 RESID 285 (Q): N 121.200 121.200 120.441 0.759 RESID 285 (Q): C 178.000 178.000 177.659 0.341 RESID 285 (Q): CA 59.500 59.500 58.798 0.702 RESID 285 (Q): CB 29.080 29.080 28.606 0.474 RESID 285 (Q): H 8.581 8.581 7.834 0.747 RESID 286 (N): N 112.600 112.600 113.987 -1.387 RESID 286 (N): C 174.500 174.500 173.862 0.638 RESID 286 (N): CA 53.160 53.160 52.738 0.422 RESID 286 (N): CB 38.390 38.390 38.742 -0.352 RESID 286 (N): H 8.117 8.117 8.044 0.073 RESID 287 (K): N 118.500 118.500 116.342 2.158 RESID 287 (K): C 176.100 176.100 175.877 0.223 RESID 287 (K): CA 57.540 57.540 57.203 0.337 RESID 287 (K): CB 28.570 28.570 29.454 -0.884 RESID 287 (K): H 7.724 7.724 7.696 0.028 RESID 288 (Q): N 119.700 119.700 116.598 3.102 RESID 288 (Q): C 173.700 173.700 173.931 -0.231 RESID 288 (Q): CA 52.970 52.970 54.730 -1.760 RESID 288 (Q): CB 28.640 28.640 29.089 -0.449 RESID 288 (Q): H 8.895 8.895 8.363 0.532 RESID 289 (V): N 119.200 119.200 118.429 0.771 RESID 289 (V): C 175.100 175.100 175.016 0.084 RESID 289 (V): CA 61.600 61.600 60.984 0.616 RESID 289 (V): CB 32.610 32.610 33.763 -1.153 RESID 289 (V): H 6.246 6.246 7.482 -1.236 RESID 290 (Y): N 125.700 125.700 124.705 0.995 RESID 290 (Y): C 174.100 174.100 174.378 -0.278 RESID 290 (Y): CA 56.830 56.830 56.648 0.182 RESID 290 (Y): CB 40.950 40.950 42.380 -1.430 RESID 290 (Y): H 8.682 8.682 9.064 -0.382 RESID 291 (A): N 126.900 126.900 121.948 4.952 RESID 291 (A): C 178.300 178.300 176.780 1.520 RESID 291 (A): CA 51.560 51.560 50.355 1.205 RESID 291 (A): CB 19.670 19.670 21.253 -1.583 RESID 291 (A): H 9.057 9.057 8.644 0.413 RESID 292 (L): N 120.800 120.800 119.735 1.065 RESID 292 (L): C 175.500 175.500 176.229 -0.729 RESID 292 (L): CA 54.880 54.880 54.232 0.648 RESID 292 (L): CB 42.490 42.490 42.275 0.215 RESID 292 (L): H 8.342 8.342 8.924 -0.582 RESID 293 (G): N 107.500 107.500 103.890 3.610 RESID 293 (G): C 177.600 177.600 174.151 3.449 RESID 293 (G): CA 45.110 45.110 44.432 0.678 RESID 293 (G): H 7.973 7.973 7.393 0.580 RESID 294 (T): N 117.800 117.800 116.786 1.014 RESID 294 (T): C 176.400 176.400 176.029 0.371 RESID 294 (T): CA 65.260 65.260 65.269 -0.009 RESID 294 (T): CB 68.310 68.310 69.151 -0.841 RESID 294 (T): H 8.808 8.808 8.582 0.226 RESID 295 (E): N 122.100 122.100 120.612 1.488 RESID 295 (E): C 177.700 177.700 176.768 0.932 RESID 295 (E): CA 58.540 58.540 58.375 0.165 RESID 295 (E): CB 29.010 29.010 28.805 0.205 RESID 295 (E): H 10.380 10.380 8.783 1.597 RESID 296 (T): N 103.000 103.000 108.489 -5.489 RESID 296 (T): C 173.600 173.600 174.331 -0.731 RESID 296 (T): CA 62.320 62.320 61.428 0.891 RESID 296 (T): CB 69.170 69.170 67.810 1.360 RESID 296 (T): H 7.062 7.062 7.988 -0.926 RESID 297 (F): N 121.500 121.500 123.034 -1.534 RESID 297 (F): C 174.500 174.500 175.898 -1.398 RESID 297 (F): CA 61.700 61.700 60.993 0.707 RESID 297 (F): CB 39.640 39.640 39.778 -0.138 RESID 297 (F): H 8.108 8.108 7.743 0.365 RESID 298 (R): N 116.800 116.800 119.683 -2.883 RESID 298 (R): C 176.000 176.000 175.117 0.883 RESID 298 (R): CA 54.160 54.160 55.818 -1.658 RESID 298 (R): CB 32.460 32.460 31.154 1.306 RESID 298 (R): H 7.552 7.552 8.257 -0.705 RESID 299 (L): N 125.500 125.500 126.237 -0.737 RESID 299 (L): C 174.800 174.800 174.418 0.382 RESID 299 (L): CA 54.300 54.300 54.117 0.183 RESID 299 (L): CB 41.670 41.670 44.002 -2.332 RESID 299 (L): H 8.903 8.903 8.445 0.458 RESID 300 (D): N 124.600 124.600 124.352 0.248 RESID 300 (D): C 173.400 173.400 175.633 -2.233 RESID 300 (D): CA 51.880 51.880 53.240 -1.361 RESID 300 (D): CB 43.230 43.230 42.695 0.535 RESID 300 (D): H 7.735 7.735 8.756 -1.021 RESID 301 (Y): N 118.100 118.100 121.386 -3.286 RESID 301 (Y): C 175.300 175.300 176.133 -0.833 RESID 301 (Y): CA 61.650 61.650 63.305 -1.655 RESID 301 (Y): CB 38.740 38.740 38.701 0.039 RESID 301 (Y): H 7.943 7.943 9.009 -1.066 RESID 302 (Y): N 112.300 112.300 115.820 -3.520 RESID 302 (Y): C 180.800 180.800 177.690 3.110 RESID 302 (Y): CA 61.970 61.970 60.815 1.155 RESID 302 (Y): CB 37.990 37.990 38.097 -0.107 RESID 302 (Y): H 7.309 7.309 8.079 -0.770 RESID 303 (S): N 119.100 119.100 115.605 3.495 RESID 303 (S): C 176.300 176.300 176.567 -0.267 RESID 303 (S): CA 60.690 60.690 61.315 -0.625 RESID 303 (S): CB 63.180 63.180 62.966 0.214 RESID 303 (S): H 9.411 9.411 9.467 -0.056 RESID 304 (A): N 126.900 126.900 125.590 1.310 RESID 304 (A): C 180.400 180.400 179.433 0.967 RESID 304 (A): CA 56.000 56.000 54.928 1.072 RESID 304 (A): CB 18.040 18.040 17.963 0.077 RESID 304 (A): H 8.860 8.860 7.835 1.025 RESID 305 (M): N 116.600 116.600 118.040 -1.440 RESID 305 (M): C 179.300 179.300 178.883 0.417 RESID 305 (M): CA 57.880 57.880 59.776 -1.896 RESID 305 (M): CB 31.350 31.350 32.391 -1.041 RESID 305 (M): H 7.346 7.346 7.506 -0.160 RESID 306 (Q): N 119.300 119.300 118.816 0.484 RESID 306 (Q): C 179.000 179.000 178.837 0.163 RESID 306 (Q): CA 59.410 59.410 58.893 0.517 RESID 306 (Q): CB 28.450 28.450 28.827 -0.377 RESID 306 (Q): H 7.633 7.633 7.881 -0.248 RESID 308 (L): C 178.700 178.700 178.482 0.218 RESID 308 (L): CA 58.690 58.690 58.418 0.272 RESID 308 (L): CB 41.790 41.790 41.384 0.406 RESID 309 (D): N 119.100 119.100 119.106 -0.006 RESID 309 (D): C 179.600 179.600 178.887 0.713 RESID 309 (D): CA 57.830 57.830 57.569 0.261 RESID 309 (D): CB 40.820 40.820 40.329 0.491 RESID 309 (D): H 7.984 7.984 8.064 -0.080 RESID 310 (R): N 121.700 121.700 120.595 1.105 RESID 310 (R): C 178.900 178.900 178.730 0.170 RESID 310 (R): CA 58.590 58.590 59.193 -0.603 RESID 310 (R): CB 29.820 29.820 30.151 -0.331 RESID 310 (R): H 8.463 8.463 7.600 0.863 RESID 311 (L): N 119.200 119.200 119.934 -0.734 RESID 311 (L): C 178.800 178.800 178.745 0.055 RESID 311 (L): CA 58.380 58.380 58.117 0.263 RESID 311 (L): CB 42.340 42.340 41.838 0.502 RESID 311 (L): H 8.489 8.489 8.319 0.170 RESID 312 (K): N 116.500 116.500 118.739 -2.239 RESID 312 (K): C 178.000 178.000 178.409 -0.409 RESID 312 (K): CA 59.250 59.250 59.175 0.075 RESID 312 (K): CB 32.440 32.440 32.502 -0.062 RESID 312 (K): H 7.955 7.955 8.219 -0.264 RESID 313 (A): N 119.500 119.500 120.791 -1.291 RESID 313 (A): C 180.000 180.000 178.655 1.345 RESID 313 (A): CA 53.920 53.920 53.289 0.631 RESID 313 (A): CB 18.800 18.800 19.255 -0.455 RESID 313 (A): H 7.427 7.427 7.755 -0.328 RESID 314 (L): N 119.500 119.500 119.146 0.354 RESID 314 (L): C 177.400 177.400 176.430 0.970 RESID 314 (L): CA 56.770 56.770 57.228 -0.459 RESID 314 (L): CB 43.730 43.730 42.344 1.386 RESID 314 (L): H 7.431 7.431 8.155 -0.724 N HA C CA CB H RESID 26 (W): -3.485 ----- -0.882 0.330 3.240 0.226 RESID 27 (P): ----- ----- 0.005 -0.299 4.951 ----- RESID 28 (R): -3.886 ----- -1.403 0.719 0.773 0.076 RESID 29 (Q): -0.872 ----- 0.591 -1.270 1.437 -0.081 RESID 30 (I): -1.777 ----- 0.628 -0.919 -0.535 1.069 RESID 31 (T): 3.208 ----- 0.736 -1.305 1.046 0.589 RESID 32 (D): 5.734 ----- 1.399 0.815 -0.456 1.402 RESID 33 (S): -4.460 ----- -0.556 0.366 -0.378 -0.226 RESID 34 (R): -2.370 ----- -0.640 -3.652 0.192 0.396 RESID 35 (G): 5.142 ----- -2.255 -0.508 ----- -0.764 RESID 36 (T): 0.140 ----- 0.796 0.031 -0.127 0.589 RESID 37 (H): 0.465 ----- 0.730 -1.298 -2.017 0.358 RESID 38 (T): 4.191 ----- 1.370 2.099 -1.232 1.552 RESID 39 (L): 7.154 ----- 0.106 0.506 -0.886 0.475 RESID 40 (E): -1.694 ----- -0.315 0.328 0.481 0.133 RESID 41 (S): -1.869 ----- -1.481 -0.908 0.607 -0.157 RESID 42 (Q): 3.303 ----- -0.157 -1.991 0.545 -1.261 RESID 43 (P): ----- ----- -0.377 0.754 0.077 ----- RESID 44 (Q): 2.577 ----- -0.628 -1.561 2.905 2.583 RESID 45 (R): 8.215 ----- 0.497 0.071 0.031 2.447 RESID 47 (V): ----- ----- 0.257 -0.246 -0.304 ----- RESID 48 (S): -1.913 ----- 1.697 -2.064 -1.645 -0.742 RESID 49 (T): 4.462 ----- -3.026 0.805 -0.447 -0.315 RESID 50 (S): -0.712 ----- -0.503 -2.736 -0.111 -0.020 RESID 51 (V): 5.903 ----- -2.892 -0.154 -0.302 0.534 RESID 52 (T): 0.579 ----- 3.222 0.892 0.260 -0.113 RESID 53 (L): 1.138 ----- 0.434 -0.676 0.841 -0.451 RESID 54 (T): 1.770 ----- -1.742 -0.655 ----- -0.098 RESID 55 (G): -3.677 ----- -0.182 0.306 ----- -1.285 RESID 56 (S): -0.784 ----- -1.153 1.944 1.971 -1.245 RESID 58 (L): ----- ----- 1.802 -0.272 -0.104 ----- RESID 59 (A): -0.731 ----- -0.301 0.750 -0.302 -0.294 RESID 60 (I): ----- ----- -1.538 0.147 0.467 ----- RESID 61 (D): -2.337 ----- 0.247 0.053 -0.014 0.005 RESID 62 (A): -3.029 ----- 2.690 -0.833 -1.635 0.096 RESID 63 (P): ----- ----- -2.107 0.606 -4.697 ----- RESID 64 (V): 3.873 ----- -0.914 -1.452 -0.798 0.438 RESID 65 (I): -4.201 ----- 1.084 -2.990 1.326 0.241 RESID 66 (A): 3.279 ----- -0.036 0.600 1.415 -0.426 RESID 67 (S): -5.043 ----- 2.243 -2.080 -2.431 0.240 RESID 68 (G): 5.640 ----- -1.609 2.062 ----- -1.052 RESID 69 (A): -2.278 ----- 2.724 -0.810 2.377 -0.846 RESID 70 (T): 6.235 ----- -2.314 -2.700 1.007 1.088 RESID 71 (T): -5.008 ----- -0.434 0.137 1.531 -0.782 RESID 72 (P): ----- ----- 0.977 -0.179 0.734 ----- RESID 73 (N): -4.590 ----- -1.626 0.744 -1.458 -0.699 RESID 74 (N): ----- ----- -1.155 5.011 0.357 ----- RESID 75 (R): -6.292 ----- -0.160 1.083 1.054 -0.283 RESID 76 (V): -10.313 ----- 0.051 -2.938 2.033 -0.829 RESID 77 (A): 5.904 ----- -1.082 -1.038 5.114 0.718 RESID 78 (D): 1.785 ----- 2.213 -0.939 0.366 0.430 RESID 79 (D): 0.859 ----- 0.285 1.079 0.877 -0.150 RESID 80 (Q): -4.369 ----- -1.179 -1.514 2.410 -0.177 RESID 81 (G): -0.008 ----- 0.864 0.951 ----- -0.644 RESID 82 (F): 0.635 ----- -0.428 -4.243 -2.648 0.312 RESID 83 (L): ----- ----- 0.976 0.371 -3.483 ----- RESID 84 (R): 0.303 ----- 0.769 3.467 1.646 -0.679 RESID 85 (Q): -2.605 ----- -2.764 0.307 -3.109 1.781 RESID 86 (W): -6.538 ----- -1.956 -5.181 -2.229 -1.491 RESID 87 (S): 3.932 ----- 1.450 0.449 ----- -1.299 RESID 88 (K): -3.923 ----- 0.175 0.458 -0.091 0.963 RESID 89 (V): 6.301 ----- 0.770 0.092 0.515 -0.634 RESID 90 (A): -0.488 ----- 1.041 1.298 1.321 0.642 RESID 91 (K): -0.434 ----- 3.000 0.981 -0.009 -0.286 RESID 92 (E): 5.066 ----- 1.495 2.282 -0.661 0.470 RESID 93 (R): -3.142 ----- 0.336 0.799 -1.516 -0.281 RESID 94 (K): 0.979 ----- 0.572 -0.629 -1.466 -0.653 RESID 95 (L): -1.801 ----- 0.365 0.910 1.180 0.062 RESID 96 (Q): 0.645 ----- -1.205 0.678 0.286 -0.871 RESID 97 (R): 6.461 ----- 0.579 -1.029 1.624 0.504 RESID 98 (L): 3.485 ----- -0.421 2.415 3.336 -0.469 RESID 99 (Y): -2.127 ----- -1.393 -0.820 -0.996 -1.372 RESID 100 (I): -6.236 ----- -0.340 -1.805 3.577 0.093 RESID 101 (G): 0.876 ----- -0.700 2.212 ----- -0.264 RESID 102 (E): 10.886 ----- -0.783 0.469 2.026 0.282 RESID 103 (P): ----- ----- -0.831 -1.378 -0.090 ----- RESID 104 (S): -5.247 ----- 0.170 -3.167 -0.084 -2.561 RESID 105 (A): 0.244 ----- 0.349 0.748 -0.901 0.329 RESID 106 (E): 0.338 ----- 0.434 1.233 -0.474 0.147 RESID 107 (A): -0.777 ----- 0.314 -0.437 0.842 -0.186 RESID 108 (V): -1.680 ----- -0.936 1.155 0.331 -0.535 RESID 109 (A): -1.986 ----- 1.770 0.523 -0.205 0.053 RESID 110 (A): -0.745 ----- 0.251 -0.250 -0.027 -0.306 RESID 111 (Q): -1.046 ----- -1.051 0.914 -0.214 -0.295 RESID 112 (M): -6.152 ----- 0.058 0.346 -1.450 -0.065 RESID 113 (P): ----- ----- 0.456 0.199 0.348 ----- RESID 114 (D): -2.155 ----- -0.014 -2.005 -2.057 0.615 RESID 115 (L): ----- ----- 0.605 -1.328 ----- ----- RESID 116 (I): -2.777 ----- ----- 0.172 ----- 1.298 RESID 118 (I): ----- ----- -1.049 0.459 1.159 ----- RESID 119 (S): 0.005 ----- 0.554 -0.599 0.671 1.002 RESID 120 (A): 1.446 ----- -0.540 -0.046 1.543 -0.560 RESID 121 (T): -4.067 ----- -0.138 -2.465 1.605 -0.235 RESID 122 (G): -6.639 ----- 3.059 -0.752 ----- 0.158 RESID 123 (G): ----- ----- -0.221 1.038 ----- ----- RESID 124 (D): -2.270 ----- 1.161 -0.628 0.076 0.887 RESID 125 (S): -4.024 ----- 1.714 0.099 0.109 -1.114 RESID 126 (A): 4.789 ----- -1.960 -2.362 -2.236 0.226 RESID 127 (L): -0.042 ----- 0.552 1.466 1.226 -0.802 RESID 128 (A): 3.461 ----- 0.782 0.840 -0.500 1.290 RESID 129 (L): 0.680 ----- -0.864 -1.278 -0.415 0.353 RESID 130 (Y): -0.839 ----- 0.384 1.433 1.046 -1.098 RESID 131 (D): 1.155 ----- -0.094 0.599 0.277 0.919 RESID 132 (Q): -0.965 ----- 0.210 0.365 0.559 -0.168 RESID 133 (L): -0.457 ----- -0.692 0.257 -0.820 -0.362 RESID 134 (S): -3.104 ----- -0.365 0.198 0.745 -0.341 RESID 135 (T): -4.894 ----- -1.302 -2.071 0.659 -0.608 RESID 136 (I): 3.899 ----- 0.234 -0.090 0.307 0.337 RESID 137 (A): 1.868 ----- -1.686 -0.092 -0.190 -0.438 RESID 138 (P): ----- ----- -1.496 1.094 0.101 ----- RESID 139 (T): 2.164 ----- -0.046 -1.566 1.854 -0.161 RESID 140 (L): ----- ----- 0.611 -0.773 0.552 ----- RESID 141 (I): -1.993 ----- 1.019 -0.881 0.947 1.461 RESID 142 (I): 1.921 ----- 0.233 -1.923 -2.479 0.063 RESID 143 (N): 4.912 ----- 0.472 -1.886 0.104 0.748 RESID 144 (Y): -6.047 ----- 1.684 -4.064 -0.152 0.053 RESID 145 (D): 1.163 ----- 1.698 -0.335 3.151 0.442 RESID 146 (D): 3.730 ----- -0.064 -0.376 -1.681 -1.054 RESID 147 (K): -5.709 ----- -0.283 -1.552 -1.816 -0.552 RESID 148 (S): -0.438 ----- -0.380 -0.044 0.688 0.203 RESID 149 (W): 1.776 ----- 2.057 1.303 -0.742 -0.121 RESID 150 (Q): 3.103 ----- 0.411 3.427 -1.265 1.606 RESID 151 (S): 1.133 ----- 0.606 0.692 0.398 0.060 RESID 152 (L): 2.409 ----- 0.622 0.343 0.247 0.044 RESID 153 (L): 0.580 ----- 1.033 1.428 -0.110 0.931 RESID 154 (T): 3.492 ----- 0.301 1.314 0.522 0.147 RESID 155 (Q): 3.509 ----- 1.186 1.373 0.258 0.284 RESID 156 (L): ----- ----- 1.637 0.623 -0.128 ----- RESID 157 (G): 5.794 ----- -0.566 1.792 ----- 1.215 RESID 158 (E): 4.828 ----- 0.640 1.243 0.312 0.020 RESID 160 (T): ----- ----- 2.310 -1.195 2.632 ----- RESID 161 (G): -0.256 ----- 0.457 1.233 ----- -0.881 RESID 162 (H): 5.036 ----- -2.151 -0.446 -2.988 0.673 RESID 163 (E): 1.743 ----- 2.330 1.442 -0.439 1.522 RESID 164 (K): 0.199 ----- -0.086 -0.466 0.307 0.396 RESID 165 (Q): 2.227 ----- 0.671 2.029 -0.261 -0.489 RESID 166 (A): -1.319 ----- -1.428 1.326 0.226 -0.084 RESID 167 (A): -3.040 ----- 1.892 -0.161 -0.306 -1.116 RESID 168 (E): 1.534 ----- 0.467 -0.008 0.456 0.322 RESID 170 (I): ----- ----- -0.004 1.575 1.355 ----- RESID 171 (A): -2.487 ----- 1.364 -0.357 0.149 -0.784 RESID 172 (Q): 2.571 ----- 0.613 0.710 -0.261 0.645 RESID 173 (F): -0.110 ----- -1.016 1.596 0.360 -0.328 RESID 174 (D): 0.877 ----- 1.414 0.539 -0.096 -0.270 RESID 175 (K): 1.078 ----- 1.159 -0.015 0.313 -0.071 RESID 176 (Q): 2.101 ----- 0.764 -0.477 -0.535 0.347 RESID 177 (L): 5.990 ----- -0.270 2.654 -0.164 1.210 RESID 178 (A): -1.055 ----- 1.363 0.194 0.083 -0.562 RESID 179 (A): -0.774 ----- 0.719 0.338 -0.408 0.049 RESID 180 (A): -0.016 ----- 0.094 0.751 -0.274 0.180 RESID 181 (K): 0.165 ----- -0.093 0.628 0.700 0.037 RESID 182 (E): -2.144 ----- -0.130 0.754 1.081 -0.573 RESID 183 (Q): -0.688 ----- 1.029 0.236 0.419 -0.174 RESID 184 (I): 1.951 ----- 0.962 3.260 0.335 0.295 RESID 185 (K): 4.775 ----- -0.029 -0.578 -2.906 0.834 RESID 186 (L): -1.031 ----- -0.220 2.342 0.367 -0.426 RESID 188 (P): ----- ----- -1.464 1.477 1.036 ----- RESID 189 (Q): 0.211 ----- 1.867 -2.401 0.993 -0.164 RESID 190 (P): ----- ----- -0.060 0.354 2.629 ----- RESID 191 (V): -8.944 ----- 0.333 0.211 0.344 0.706 RESID 192 (T): 7.352 ----- 0.213 3.501 0.297 0.134 RESID 193 (A): 9.897 ----- 0.000 -0.557 -0.301 1.609 RESID 194 (I): -2.077 ----- 2.901 -0.453 1.813 0.749 RESID 195 (V): -4.287 ----- 2.131 1.816 0.197 -0.142 RESID 196 (Y): 2.716 ----- 0.556 -0.411 1.093 1.018 RESID 197 (T): 1.501 ----- 0.933 0.117 -3.037 0.440 RESID 198 (A): -0.308 ----- 1.225 1.176 0.093 -0.316 RESID 199 (A): -4.764 ----- -1.030 -0.497 0.386 0.305 RESID 200 (A): -3.863 ----- -0.646 -0.807 1.327 -1.459 RESID 201 (H): 0.429 ----- -0.503 0.379 -0.427 -0.190 RESID 202 (S): -3.968 ----- 0.045 -1.068 -0.125 -0.686 RESID 203 (A): -2.982 ----- -0.381 -0.533 2.308 0.313 RESID 204 (N): 0.059 ----- -0.152 -0.541 -2.069 0.129 RESID 205 (L): 5.478 ----- 0.138 0.857 1.558 1.659 RESID 206 (W): 1.636 ----- 0.654 -0.754 -1.126 0.645 RESID 207 (T): 1.793 ----- 2.816 0.891 -1.859 -0.111 RESID 208 (P): ----- ----- -0.848 0.728 -0.223 ----- RESID 209 (E): -2.723 ----- 0.275 0.056 -0.393 -0.361 RESID 210 (S): 0.697 ----- -1.647 -1.137 2.832 0.221 RESID 211 (A): -2.227 ----- 0.733 0.072 -0.248 -0.175 RESID 212 (Q): 0.554 ----- -0.929 2.415 -0.345 -0.005 RESID 213 (G): -0.153 ----- -0.923 0.680 ----- -0.229 RESID 214 (Q): -0.794 ----- 0.605 0.265 0.410 0.425 RESID 215 (M): -1.422 ----- -0.387 0.111 -0.806 -0.346 RESID 216 (L): -3.047 ----- 0.866 0.491 -1.447 -0.518 RESID 217 (E): 1.323 ----- 2.922 1.272 -0.274 0.149 RESID 218 (Q): 5.152 ----- -0.803 0.944 -0.269 0.540 RESID 219 (L): 0.601 ----- -2.234 -1.364 1.451 -0.350 RESID 220 (G): 1.875 ----- 1.800 0.058 ----- -0.410 RESID 221 (F): 0.378 ----- 1.111 1.905 -3.661 0.218 RESID 222 (T): 1.432 ----- 0.426 0.470 1.769 0.224 RESID 223 (L): 1.258 ----- 1.659 1.358 -1.182 1.049 RESID 224 (A): -1.246 ----- 1.539 1.482 -2.193 0.953 RESID 225 (K): 2.225 ----- 0.606 0.011 0.193 0.236 RESID 226 (L): -1.819 ----- -0.105 -0.530 0.469 0.116 RESID 227 (P): ----- ----- -0.262 -0.035 0.176 ----- RESID 228 (A): 0.069 ----- 1.039 0.728 0.010 -0.098 RESID 229 (G): 0.220 ----- -0.981 0.618 ----- 0.473 RESID 230 (L): -1.219 ----- -1.428 0.111 0.938 -0.423 RESID 231 (N): -0.449 ----- -0.605 -2.494 0.941 0.180 RESID 232 (A): 4.937 ----- 0.028 1.417 1.299 0.171 RESID 233 (S): -0.042 ----- -0.481 -1.697 0.950 -0.280 RESID 234 (Q): 1.461 ----- 0.704 0.180 -1.325 0.451 RESID 235 (S): -0.978 ----- 0.244 0.015 1.627 -0.206 RESID 236 (Q): -4.798 ----- 1.267 1.110 1.643 -0.482 RESID 237 (G): 1.366 ----- 1.142 0.248 ----- 0.797 RESID 238 (K): -0.993 ----- 1.110 0.489 0.552 -0.393 RESID 239 (R): -4.076 ----- ----- 0.190 0.657 -0.341 RESID 240 (H): ----- ----- -1.727 -2.873 -0.305 ----- RESID 241 (D): 0.583 ----- -1.577 -0.492 -0.667 0.664 RESID 242 (I): 0.242 ----- 1.224 -0.298 2.762 -0.316 RESID 243 (I): -0.906 ----- 1.043 -0.291 2.902 0.221 RESID 244 (Q): 0.890 ----- 1.056 1.540 -0.013 0.175 RESID 245 (L): 1.990 ----- -0.406 0.677 0.238 0.285 RESID 246 (G): 4.657 ----- -0.129 -0.437 ----- -0.016 RESID 247 (G): -0.149 ----- 1.817 3.146 ----- 0.930 RESID 248 (E): 2.553 ----- 0.764 1.072 0.038 0.460 RESID 249 (N): 0.385 ----- -0.490 -0.236 0.730 0.428 RESID 250 (L): 1.166 ----- -0.995 1.814 0.762 -0.678 RESID 251 (A): -5.049 ----- 1.337 0.689 -0.428 -0.168 RESID 252 (A): -1.185 ----- 0.781 1.623 -0.008 -1.033 RESID 253 (G): -7.312 ----- -2.099 0.357 ----- 0.031 RESID 254 (L): 1.950 ----- -2.274 -1.838 -3.004 -0.577 RESID 255 (N): -8.090 ----- 0.537 -0.404 -1.195 -1.205 RESID 256 (G): 2.512 ----- -2.391 0.461 ----- -0.696 RESID 257 (E): 1.264 ----- 1.307 1.249 -0.815 -0.195 RESID 258 (S): -6.201 ----- 0.081 -0.528 2.561 -0.840 RESID 259 (L): -2.715 ----- -2.549 -0.730 3.865 0.923 RESID 260 (F): 0.706 ----- -1.819 1.522 1.050 1.156 RESID 261 (L): 3.791 ----- 0.543 0.821 -4.035 0.853 RESID 262 (F): 1.464 ----- -0.135 2.053 1.436 0.273 RESID 263 (A): -2.153 ----- -1.722 0.950 2.894 0.653 RESID 264 (G): -7.063 ----- -1.630 0.499 ----- -1.123 RESID 265 (D): -0.336 ----- 0.032 -1.117 0.592 0.921 RESID 266 (Q): -1.215 ----- 0.150 -0.446 -0.159 -0.327 RESID 267 (K): -1.063 ----- 2.322 -0.160 -0.343 -0.040 RESID 268 (D): 1.946 ----- -0.940 1.009 1.297 -0.470 RESID 269 (A): 0.210 ----- 0.581 0.716 -0.703 -0.249 RESID 270 (D): 0.212 ----- 2.789 1.267 -0.384 0.779 RESID 271 (A): 2.999 ----- 1.477 1.470 -1.009 0.552 RESID 272 (I): -120.463 ----- 1.349 -0.779 -2.418 -1.050 RESID 273 (Y): -0.671 ----- 0.218 2.819 1.941 0.222 RESID 274 (A): -3.244 ----- 0.020 -0.972 0.166 -0.339 RESID 275 (N): 1.660 ----- 1.688 -0.344 1.552 -0.760 RESID 276 (P): ----- ----- 0.408 -0.270 0.400 ----- RESID 277 (L): -0.716 ----- -0.909 -0.914 0.211 -0.146 RESID 278 (L): -1.469 ----- -1.257 -1.712 -0.334 -0.196 RESID 279 (A): -4.520 ----- -0.110 0.719 1.105 -1.231 RESID 280 (H): -3.686 ----- 0.294 -0.881 0.899 0.133 RESID 281 (L): 1.573 ----- 0.428 0.359 -1.450 -0.156 RESID 282 (P): ----- ----- -0.181 0.353 0.431 ----- RESID 283 (A): -3.180 ----- -0.833 0.437 1.307 -0.457 RESID 284 (V): -3.304 ----- 1.071 -0.249 1.731 -1.125 RESID 285 (Q): 0.759 ----- 0.341 0.702 0.474 0.747 RESID 286 (N): -1.387 ----- 0.638 0.422 -0.352 0.073 RESID 287 (K): 2.158 ----- 0.223 0.337 -0.884 0.028 RESID 288 (Q): 3.102 ----- -0.231 -1.760 -0.449 0.532 RESID 289 (V): 0.771 ----- 0.084 0.616 -1.153 -1.236 RESID 290 (Y): 0.995 ----- -0.278 0.182 -1.430 -0.382 RESID 291 (A): 4.952 ----- 1.520 1.205 -1.583 0.413 RESID 292 (L): 1.065 ----- -0.729 0.648 0.215 -0.582 RESID 293 (G): 3.610 ----- 3.449 0.678 ----- 0.580 RESID 294 (T): 1.014 ----- 0.371 -0.009 -0.841 0.226 RESID 295 (E): 1.488 ----- 0.932 0.165 0.205 1.597 RESID 296 (T): -5.489 ----- -0.731 0.891 1.360 -0.926 RESID 297 (F): -1.534 ----- -1.398 0.707 -0.138 0.365 RESID 298 (R): -2.883 ----- 0.883 -1.658 1.306 -0.705 RESID 299 (L): -0.737 ----- 0.382 0.183 -2.332 0.458 RESID 300 (D): 0.248 ----- -2.233 -1.361 0.535 -1.021 RESID 301 (Y): -3.286 ----- -0.833 -1.655 0.039 -1.066 RESID 302 (Y): -3.520 ----- 3.110 1.155 -0.107 -0.770 RESID 303 (S): 3.495 ----- -0.267 -0.625 0.214 -0.056 RESID 304 (A): 1.310 ----- 0.967 1.072 0.077 1.025 RESID 305 (M): -1.440 ----- 0.417 -1.896 -1.041 -0.160 RESID 306 (Q): 0.484 ----- 0.163 0.517 -0.377 -0.248 RESID 308 (L): ----- ----- 0.218 0.272 0.406 ----- RESID 309 (D): -0.006 ----- 0.713 0.261 0.491 -0.080 RESID 310 (R): 1.105 ----- 0.170 -0.603 -0.331 0.863 RESID 311 (L): -0.734 ----- 0.055 0.263 0.502 0.170 RESID 312 (K): -2.239 ----- -0.409 0.075 -0.062 -0.264 RESID 313 (A): -1.291 ----- 1.345 0.631 -0.455 -0.328 RESID 314 (L): 0.354 ----- 0.970 -0.459 1.386 -0.724 DATA CS_STAT_INFO N RMS: 8.230 ppm Count: 256 Average Difference: 0.476 +/- 8.232 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.220 ppm Count: 281 Average Difference: -0.162 +/- 1.211 ppm DATA CS_STAT_INFO CA RMS: 1.346 ppm Count: 283 Average Difference: -0.101 +/- 1.345 ppm DATA CS_STAT_INFO CB RMS: 1.422 ppm Count: 260 Average Difference: -0.155 +/- 1.417 ppm DATA CS_STAT_INFO HN RMS: 0.717 ppm Count: 256 Average Difference: -0.019 +/- 0.718 ppm ############################################################################ For conformer 24: Atom Original Corrected SPARTA Difference RESID 25 (D): N 120.600 120.600 120.556 0.044 RESID 25 (D): C 174.400 174.400 175.903 -1.503 RESID 25 (D): CA 55.230 55.230 53.068 2.162 RESID 25 (D): CB 41.340 41.340 41.826 -0.486 RESID 25 (D): H 8.275 8.275 8.211 0.064 RESID 26 (W): N 120.100 120.100 123.702 -3.602 RESID 26 (W): C 174.200 174.200 175.071 -0.871 RESID 26 (W): CA 55.330 55.330 54.998 0.332 RESID 26 (W): CB 31.090 31.090 27.843 3.247 RESID 26 (W): H 7.788 7.788 7.573 0.215 RESID 27 (P): C 175.900 175.900 175.894 0.006 RESID 27 (P): CA 62.800 62.800 63.097 -0.297 RESID 27 (P): CB 37.260 37.260 32.311 4.949 RESID 28 (R): N 118.000 118.000 121.866 -3.866 RESID 28 (R): C 173.700 173.700 175.097 -1.397 RESID 28 (R): CA 55.160 55.160 54.432 0.728 RESID 28 (R): CB 33.430 33.430 32.674 0.756 RESID 28 (R): H 8.686 8.686 8.616 0.070 RESID 29 (Q): N 120.800 120.800 121.619 -0.819 RESID 29 (Q): C 175.500 175.500 174.907 0.593 RESID 29 (Q): CA 54.780 54.780 56.033 -1.253 RESID 29 (Q): CB 30.700 30.700 29.277 1.423 RESID 29 (Q): H 8.506 8.506 8.590 -0.084 RESID 30 (I): N 124.300 124.300 126.102 -1.802 RESID 30 (I): C 175.700 175.700 175.069 0.631 RESID 30 (I): CA 58.520 58.520 59.436 -0.916 RESID 30 (I): CB 40.680 40.680 41.211 -0.531 RESID 30 (I): H 9.002 9.002 7.932 1.070 RESID 31 (T): N 125.200 125.200 122.013 3.187 RESID 31 (T): C 174.400 174.400 173.659 0.741 RESID 31 (T): CA 62.150 62.150 63.480 -1.330 RESID 31 (T): CB 70.640 70.640 69.590 1.050 RESID 31 (T): H 8.989 8.989 8.404 0.585 RESID 32 (D): N 129.500 129.500 123.820 5.680 RESID 32 (D): C 177.400 177.400 176.018 1.382 RESID 32 (D): CA 52.630 52.630 51.798 0.832 RESID 32 (D): CB 42.950 42.950 43.414 -0.464 RESID 32 (D): H 9.389 9.389 7.988 1.401 RESID 33 (S): N 111.900 111.900 116.384 -4.484 RESID 33 (S): C 175.600 175.600 176.156 -0.556 RESID 33 (S): CA 60.920 60.920 60.575 0.345 RESID 33 (S): CB 63.430 63.430 63.805 -0.375 RESID 33 (S): H 8.075 8.075 8.296 -0.221 RESID 34 (R): N 120.600 120.600 122.964 -2.364 RESID 34 (R): C 176.100 176.100 176.744 -0.644 RESID 34 (R): CA 55.020 55.020 58.667 -3.647 RESID 34 (R): CB 30.850 30.850 30.656 0.194 RESID 34 (R): H 8.433 8.433 8.052 0.381 RESID 35 (G): N 108.900 108.900 103.770 5.130 RESID 35 (G): C 171.200 171.200 173.453 -2.253 RESID 35 (G): CA 45.060 45.060 45.573 -0.513 RESID 35 (G): H 7.837 7.837 8.602 -0.765 RESID 36 (T): N 116.300 116.300 116.170 0.130 RESID 36 (T): C 173.800 173.800 173.002 0.798 RESID 36 (T): CA 62.670 62.670 62.634 0.036 RESID 36 (T): CB 70.000 70.000 70.127 -0.127 RESID 36 (T): H 8.192 8.192 7.602 0.590 RESID 37 (H): N 125.800 125.800 125.342 0.458 RESID 37 (H): C 174.000 174.000 173.264 0.736 RESID 37 (H): CA 54.060 54.060 55.378 -1.318 RESID 37 (H): CB 31.020 31.020 33.024 -2.004 RESID 37 (H): H 8.986 8.986 8.630 0.356 RESID 38 (T): N 121.500 121.500 117.417 4.083 RESID 38 (T): C 174.200 174.200 172.838 1.362 RESID 38 (T): CA 63.190 63.190 61.089 2.101 RESID 38 (T): CB 70.080 70.080 71.308 -1.228 RESID 38 (T): H 9.101 9.101 7.566 1.535 RESID 39 (L): N 129.600 129.600 122.443 7.157 RESID 39 (L): C 176.900 176.900 176.806 0.094 RESID 39 (L): CA 53.990 53.990 53.477 0.513 RESID 39 (L): CB 43.160 43.160 44.044 -0.883 RESID 39 (L): H 9.145 9.145 8.698 0.447 RESID 40 (E): N 124.300 124.300 125.933 -1.633 RESID 40 (E): C 175.600 175.600 175.920 -0.320 RESID 40 (E): CA 59.420 59.420 59.113 0.307 RESID 40 (E): CB 30.710 30.710 30.228 0.482 RESID 40 (E): H 9.164 9.164 9.030 0.134 RESID 41 (S): N 108.300 108.300 110.197 -1.897 RESID 41 (S): C 171.700 171.700 173.190 -1.490 RESID 41 (S): CA 56.270 56.270 57.173 -0.903 RESID 41 (S): CB 65.420 65.420 64.812 0.608 RESID 41 (S): H 7.326 7.326 7.485 -0.159 RESID 42 (Q): N 123.900 123.900 120.593 3.307 RESID 42 (Q): C 174.600 174.600 174.758 -0.158 RESID 42 (Q): CA 53.730 53.730 55.738 -2.008 RESID 42 (Q): CB 28.470 28.470 27.926 0.544 RESID 42 (Q): H 7.339 7.339 8.601 -1.262 RESID 43 (P): C 176.300 176.300 176.693 -0.393 RESID 43 (P): CA 64.080 64.080 63.304 0.776 RESID 43 (P): CB 32.510 32.510 32.442 0.068 RESID 44 (Q): N 125.100 125.100 122.425 2.675 RESID 44 (Q): C 175.400 175.400 176.045 -0.645 RESID 44 (Q): CA 55.780 55.780 57.282 -1.502 RESID 44 (Q): CB 32.660 32.660 29.750 2.910 RESID 44 (Q): H 11.160 11.160 8.565 2.595 RESID 45 (R): N 125.700 125.700 117.482 8.218 RESID 45 (R): C 174.600 174.600 174.099 0.501 RESID 45 (R): CA 55.310 55.310 55.247 0.063 RESID 45 (R): CB 33.070 33.070 33.062 0.008 RESID 45 (R): H 10.010 10.010 7.568 2.442 RESID 47 (V): C 174.700 174.700 174.344 0.356 RESID 47 (V): CA 60.970 60.970 61.240 -0.270 RESID 47 (V): CB 34.140 34.140 34.388 -0.248 RESID 48 (S): N 118.300 118.300 120.317 -2.017 RESID 48 (S): C 175.500 175.500 173.589 1.911 RESID 48 (S): CA 55.700 55.700 57.564 -1.864 RESID 48 (S): CB 64.750 64.750 65.842 -1.092 RESID 48 (S): H 7.852 7.852 8.497 -0.645 RESID 49 (T): N 116.800 116.800 112.589 4.211 RESID 49 (T): C 171.500 171.500 174.375 -2.875 RESID 49 (T): CA 62.400 62.400 61.440 0.960 RESID 49 (T): CB 69.320 69.320 69.709 -0.389 RESID 49 (T): H 8.283 8.283 8.637 -0.354 RESID 50 (S): N 116.200 116.200 116.719 -0.519 RESID 50 (S): C 174.600 174.600 175.172 -0.572 RESID 50 (S): CA 54.640 54.640 56.718 -2.078 RESID 50 (S): CB 64.000 64.000 63.999 0.001 RESID 50 (S): H 7.627 7.627 7.732 -0.105 RESID 51 (V): N 134.300 134.300 129.385 4.915 RESID 51 (V): C 175.100 175.100 177.923 -2.823 RESID 51 (V): CA 65.620 65.620 65.960 -0.340 RESID 51 (V): CB 31.790 31.790 31.911 -0.121 RESID 51 (V): H 9.218 9.218 9.045 0.173 RESID 52 (T): N 117.000 117.000 116.446 0.554 RESID 52 (T): C 179.700 179.700 176.476 3.224 RESID 52 (T): CA 67.390 67.390 66.544 0.846 RESID 52 (T): CB 69.130 69.130 68.865 0.265 RESID 52 (T): H 7.841 7.841 7.970 -0.129 RESID 53 (L): N 123.400 123.400 122.301 1.099 RESID 53 (L): C 178.700 178.700 178.274 0.426 RESID 53 (L): CA 57.460 57.460 58.160 -0.700 RESID 53 (L): CB 42.610 42.610 41.784 0.826 RESID 53 (L): H 8.092 8.092 8.591 -0.499 RESID 54 (T): N 117.500 117.500 115.732 1.768 RESID 54 (T): C 174.900 174.900 176.646 -1.746 RESID 54 (T): CA 67.070 67.070 67.733 -0.663 RESID 54 (T): H 8.039 8.039 8.139 -0.100 RESID 55 (G): N 105.500 105.500 109.205 -3.705 RESID 55 (G): C 175.600 175.600 175.792 -0.192 RESID 55 (G): CA 47.260 47.260 46.959 0.301 RESID 55 (G): H 6.591 6.591 7.872 -1.281 RESID 56 (S): N 117.000 117.000 117.778 -0.778 RESID 56 (S): C 175.600 175.600 176.750 -1.150 RESID 56 (S): CA 63.400 63.400 61.481 1.919 RESID 56 (S): CB 65.060 65.060 63.089 1.971 RESID 56 (S): H 6.709 6.709 7.973 -1.264 RESID 58 (L): C 181.200 181.200 179.415 1.785 RESID 58 (L): CA 57.480 57.480 57.767 -0.287 RESID 58 (L): CB 40.810 40.810 40.898 -0.088 RESID 59 (A): N 122.100 122.100 122.839 -0.739 RESID 59 (A): C 178.500 178.500 178.814 -0.314 RESID 59 (A): CA 55.540 55.540 54.800 0.740 RESID 59 (A): CB 18.440 18.440 18.766 -0.326 RESID 59 (A): H 7.797 7.797 8.095 -0.298 RESID 60 (I): C 172.700 172.700 174.249 -1.549 RESID 60 (I): CA 60.390 60.390 60.248 0.142 RESID 60 (I): CB 37.930 37.930 37.480 0.450 RESID 61 (D): N 116.200 116.200 118.510 -2.310 RESID 61 (D): C 174.800 174.800 174.555 0.245 RESID 61 (D): CA 55.850 55.850 55.803 0.047 RESID 61 (D): CB 38.930 38.930 38.958 -0.028 RESID 61 (D): H 7.736 7.736 7.730 0.006 RESID 62 (A): N 118.900 118.900 122.068 -3.168 RESID 62 (A): C 176.800 176.800 174.180 2.620 RESID 62 (A): CA 50.040 50.040 51.125 -1.085 RESID 62 (A): CB 17.940 17.940 19.659 -1.719 RESID 62 (A): H 7.820 7.820 7.668 0.152 RESID 63 (P): C 173.600 173.600 175.754 -2.154 RESID 63 (P): CA 63.250 63.250 62.844 0.406 RESID 63 (P): CB 27.640 27.640 32.527 -4.887 RESID 64 (V): N 123.100 123.100 119.123 3.977 RESID 64 (V): C 174.800 174.800 175.726 -0.926 RESID 64 (V): CA 58.420 58.420 59.864 -1.444 RESID 64 (V): CB 33.300 33.300 34.120 -0.820 RESID 64 (V): H 8.299 8.299 7.866 0.433 RESID 65 (I): N 122.000 122.000 126.293 -4.293 RESID 65 (I): C 177.100 177.100 175.552 1.548 RESID 65 (I): CA 61.010 61.010 64.002 -2.992 RESID 65 (I): CB 39.480 39.480 38.207 1.273 RESID 65 (I): H 8.589 8.589 8.368 0.221 RESID 66 (A): N 120.700 120.700 116.421 4.279 RESID 66 (A): C 175.100 175.100 175.178 -0.078 RESID 66 (A): CA 51.300 51.300 50.668 0.632 RESID 66 (A): CB 22.980 22.980 21.521 1.459 RESID 66 (A): H 7.246 7.246 7.675 -0.429 RESID 67 (S): N 111.700 111.700 116.698 -4.998 RESID 67 (S): C 176.500 176.500 174.266 2.234 RESID 67 (S): CA 55.230 55.230 57.317 -2.087 RESID 67 (S): CB 65.300 65.300 67.734 -2.434 RESID 67 (S): H 8.561 8.561 8.310 0.251 RESID 68 (G): N 112.900 112.900 107.234 5.666 RESID 68 (G): C 171.000 171.000 172.608 -1.608 RESID 68 (G): CA 46.580 46.580 44.501 2.079 RESID 68 (G): H 7.604 7.604 8.657 -1.053 RESID 69 (A): N 122.300 122.300 125.930 -3.630 RESID 69 (A): C 177.900 177.900 175.177 2.723 RESID 69 (A): CA 51.280 51.280 52.441 -1.161 RESID 69 (A): CB 23.440 23.440 21.353 2.087 RESID 69 (A): H 7.402 7.402 8.221 -0.819 RESID 70 (T): N 119.600 119.600 113.891 5.709 RESID 70 (T): C 171.400 171.400 174.114 -2.714 RESID 70 (T): CA 58.150 58.150 61.287 -3.137 RESID 70 (T): CB 70.880 70.880 69.861 1.019 RESID 70 (T): H 9.171 9.171 8.078 1.093 RESID 71 (T): N 116.500 116.500 121.637 -5.137 RESID 71 (T): C 172.500 172.500 172.915 -0.415 RESID 71 (T): CA 61.680 61.680 61.634 0.046 RESID 71 (T): CB 70.490 70.490 68.946 1.544 RESID 71 (T): H 7.663 7.663 8.471 -0.808 RESID 72 (P): C 177.100 177.100 176.118 0.982 RESID 72 (P): CA 63.390 63.390 63.602 -0.212 RESID 72 (P): CB 32.940 32.940 32.200 0.740 RESID 73 (N): N 115.200 115.200 119.781 -4.581 RESID 73 (N): C 174.600 174.600 176.222 -1.622 RESID 73 (N): CA 54.570 54.570 53.834 0.736 RESID 73 (N): CB 37.020 37.020 38.472 -1.452 RESID 73 (N): H 7.990 7.990 8.690 -0.700 RESID 74 (N): C 175.800 175.800 176.979 -1.179 RESID 74 (N): CA 60.660 60.660 55.666 4.994 RESID 74 (N): CB 38.070 38.070 37.729 0.341 RESID 75 (R): N 114.600 114.600 120.924 -6.324 RESID 75 (R): C 177.400 177.400 177.554 -0.154 RESID 75 (R): CA 59.940 59.940 58.853 1.087 RESID 75 (R): CB 31.110 31.110 30.049 1.061 RESID 75 (R): H 8.049 8.049 8.335 -0.286 RESID 76 (V): N 107.100 107.100 117.351 -10.251 RESID 76 (V): C 176.000 176.000 175.954 0.046 RESID 76 (V): CA 61.110 61.110 64.035 -2.925 RESID 76 (V): CB 33.590 33.590 31.558 2.033 RESID 76 (V): H 7.356 7.356 8.185 -0.829 RESID 77 (A): N 126.900 126.900 121.065 5.835 RESID 77 (A): C 176.500 176.500 177.574 -1.074 RESID 77 (A): CA 51.390 51.390 52.424 -1.034 RESID 77 (A): CB 24.260 24.260 19.139 5.121 RESID 77 (A): H 7.873 7.873 7.161 0.712 RESID 78 (D): N 118.700 118.700 116.933 1.767 RESID 78 (D): C 178.100 178.100 175.890 2.210 RESID 78 (D): CA 51.970 51.970 52.902 -0.932 RESID 78 (D): CB 41.360 41.360 40.993 0.367 RESID 78 (D): H 8.607 8.607 8.178 0.429 RESID 79 (D): N 116.600 116.600 115.767 0.833 RESID 79 (D): C 176.400 176.400 176.110 0.290 RESID 79 (D): CA 56.030 56.030 54.935 1.095 RESID 79 (D): CB 40.100 40.100 39.221 0.878 RESID 79 (D): H 8.258 8.258 8.406 -0.148 RESID 80 (Q): N 117.200 117.200 121.587 -4.387 RESID 80 (Q): C 175.700 175.700 176.874 -1.174 RESID 80 (Q): CA 54.970 54.970 56.468 -1.498 RESID 80 (Q): CB 30.840 30.840 28.425 2.415 RESID 80 (Q): H 8.160 8.160 8.336 -0.176 RESID 81 (G): N 105.300 105.300 105.319 -0.019 RESID 81 (G): C 174.200 174.200 173.336 0.864 RESID 81 (G): CA 45.740 45.740 44.788 0.952 RESID 81 (G): H 7.419 7.419 8.060 -0.641 RESID 82 (F): N 121.700 121.700 121.074 0.626 RESID 82 (F): C 175.300 175.300 175.730 -0.430 RESID 82 (F): CA 52.530 52.530 56.772 -4.242 RESID 82 (F): CB 37.430 37.430 40.065 -2.635 RESID 82 (F): H 8.154 8.154 7.839 0.315 RESID 83 (L): C 178.400 178.400 177.432 0.968 RESID 83 (L): CA 55.550 55.550 55.185 0.365 RESID 83 (L): CB 38.480 38.480 41.960 -3.480 RESID 84 (R): N 119.000 119.000 118.702 0.298 RESID 84 (R): C 178.300 178.300 177.538 0.762 RESID 84 (R): CA 60.690 60.690 57.244 3.446 RESID 84 (R): CB 31.530 31.530 29.884 1.646 RESID 84 (R): H 7.746 7.746 8.430 -0.684 RESID 85 (Q): N 116.400 116.400 118.979 -2.579 RESID 85 (Q): C 174.700 174.700 177.406 -2.706 RESID 85 (Q): CA 58.200 58.200 57.977 0.223 RESID 85 (Q): CB 26.140 26.140 29.286 -3.146 RESID 85 (Q): H 9.838 9.838 7.974 1.864 RESID 86 (W): N 115.600 115.600 121.985 -6.385 RESID 86 (W): C 175.900 175.900 177.750 -1.850 RESID 86 (W): CA 55.320 55.320 60.428 -5.109 RESID 86 (W): CB 27.470 27.470 29.619 -2.149 RESID 86 (W): H 6.600 6.600 8.546 -1.946 RESID 87 (S): N 118.500 118.500 114.584 3.916 RESID 87 (S): C 177.300 177.300 175.852 1.448 RESID 87 (S): CA 62.340 62.340 61.846 0.494 RESID 87 (S): H 7.067 7.067 8.348 -1.281 RESID 88 (K): N 118.300 118.300 122.203 -3.903 RESID 88 (K): C 179.000 179.000 178.825 0.175 RESID 88 (K): CA 59.970 59.970 59.505 0.465 RESID 88 (K): CB 32.380 32.380 32.471 -0.091 RESID 88 (K): H 8.615 8.615 7.655 0.960 RESID 89 (V): N 120.600 120.600 114.298 6.302 RESID 89 (V): C 178.100 178.100 177.316 0.784 RESID 89 (V): CA 65.530 65.530 65.435 0.095 RESID 89 (V): CB 32.180 32.180 31.671 0.509 RESID 89 (V): H 7.089 7.089 7.706 -0.617 RESID 90 (A): N 120.700 120.700 121.155 -0.455 RESID 90 (A): C 180.000 180.000 178.949 1.051 RESID 90 (A): CA 55.490 55.490 54.173 1.317 RESID 90 (A): CB 19.130 19.130 17.808 1.322 RESID 90 (A): H 7.979 7.979 7.334 0.645 RESID 91 (K): N 117.600 117.600 118.033 -0.433 RESID 91 (K): C 180.900 180.900 177.889 3.011 RESID 91 (K): CA 59.830 59.830 58.848 0.982 RESID 91 (K): CB 32.700 32.700 32.712 -0.012 RESID 91 (K): H 7.844 7.844 8.125 -0.281 RESID 92 (E): N 122.300 122.300 117.203 5.097 RESID 92 (E): C 178.600 178.600 177.100 1.500 RESID 92 (E): CA 59.590 59.590 57.313 2.277 RESID 92 (E): CB 29.740 29.740 30.410 -0.670 RESID 92 (E): H 8.178 8.178 7.709 0.469 RESID 93 (R): N 115.300 115.300 118.434 -3.134 RESID 93 (R): C 175.000 175.000 174.664 0.336 RESID 93 (R): CA 56.320 56.320 55.528 0.792 RESID 93 (R): CB 29.390 29.390 30.925 -1.535 RESID 93 (R): H 7.776 7.776 8.052 -0.276 RESID 94 (K): N 116.800 116.800 115.004 1.796 RESID 94 (K): C 176.400 176.400 175.718 0.682 RESID 94 (K): CA 56.950 56.950 57.596 -0.646 RESID 94 (K): CB 28.870 28.870 30.279 -1.409 RESID 94 (K): H 7.697 7.697 8.396 -0.699 RESID 95 (L): N 120.600 120.600 121.636 -1.036 RESID 95 (L): C 177.200 177.200 176.886 0.314 RESID 95 (L): CA 56.710 56.710 55.988 0.722 RESID 95 (L): CB 43.480 43.480 42.439 1.041 RESID 95 (L): H 7.708 7.708 7.630 0.078 RESID 96 (Q): N 124.900 124.900 124.432 0.468 RESID 96 (Q): C 175.000 175.000 175.961 -0.961 RESID 96 (Q): CA 55.570 55.570 54.930 0.640 RESID 96 (Q): CB 30.080 30.080 29.746 0.334 RESID 96 (Q): H 7.526 7.526 8.395 -0.869 RESID 97 (R): N 126.000 126.000 119.525 6.475 RESID 97 (R): C 176.800 176.800 176.225 0.575 RESID 97 (R): CA 55.610 55.610 56.670 -1.060 RESID 97 (R): CB 31.840 31.840 30.212 1.628 RESID 97 (R): H 9.039 9.039 8.536 0.503 RESID 98 (L): N 126.500 126.500 122.995 3.505 RESID 98 (L): C 175.400 175.400 175.808 -0.408 RESID 98 (L): CA 56.610 56.610 54.169 2.442 RESID 98 (L): CB 47.140 47.140 43.822 3.318 RESID 98 (L): H 8.247 8.247 8.710 -0.463 RESID 99 (Y): N 110.000 110.000 112.130 -2.130 RESID 99 (Y): C 173.200 173.200 174.587 -1.387 RESID 99 (Y): CA 55.320 55.320 56.128 -0.808 RESID 99 (Y): CB 38.350 38.350 39.357 -1.007 RESID 99 (Y): H 6.465 6.465 7.829 -1.364 RESID 100 (I): N 120.000 120.000 126.226 -6.226 RESID 100 (I): C 176.800 176.800 177.137 -0.337 RESID 100 (I): CA 61.290 61.290 63.075 -1.785 RESID 100 (I): CB 39.980 39.980 36.396 3.584 RESID 100 (I): H 8.725 8.725 8.621 0.104 RESID 101 (G): N 114.800 114.800 113.925 0.875 RESID 101 (G): C 173.400 173.400 174.106 -0.706 RESID 101 (G): CA 47.030 47.030 44.819 2.211 RESID 101 (G): H 8.224 8.224 8.488 -0.264 RESID 102 (E): N 129.600 129.600 118.704 10.896 RESID 102 (E): C 173.700 173.700 174.484 -0.784 RESID 102 (E): CA 54.480 54.480 54.009 0.471 RESID 102 (E): CB 29.790 29.790 27.761 2.029 RESID 102 (E): H 8.294 8.294 8.009 0.285 RESID 103 (P): C 175.400 175.400 176.238 -0.838 RESID 103 (P): CA 62.040 62.040 63.432 -1.392 RESID 103 (P): CB 32.570 32.570 32.668 -0.098 RESID 104 (S): N 111.900 111.900 117.163 -5.263 RESID 104 (S): C 174.800 174.800 174.621 0.179 RESID 104 (S): CA 55.340 55.340 58.509 -3.169 RESID 104 (S): CB 64.330 64.330 64.443 -0.113 RESID 104 (S): H 5.412 5.412 7.976 -2.564 RESID 105 (A): N 130.200 130.200 129.935 0.265 RESID 105 (A): C 179.400 179.400 179.042 0.358 RESID 105 (A): CA 55.070 55.070 54.334 0.736 RESID 105 (A): CB 18.210 18.210 19.100 -0.890 RESID 105 (A): H 9.211 9.211 8.887 0.324 RESID 106 (E): N 119.800 119.800 119.453 0.347 RESID 106 (E): C 179.300 179.300 178.865 0.435 RESID 106 (E): CA 60.270 60.270 59.036 1.234 RESID 106 (E): CB 28.990 28.990 29.462 -0.472 RESID 106 (E): H 8.731 8.731 8.583 0.148 RESID 107 (A): N 121.600 121.600 122.092 -0.492 RESID 107 (A): C 180.100 180.100 179.744 0.356 RESID 107 (A): CA 54.650 54.650 54.933 -0.283 RESID 107 (A): CB 19.220 19.220 18.437 0.783 RESID 107 (A): H 7.682 7.682 7.842 -0.160 RESID 108 (V): N 116.600 116.600 118.576 -1.976 RESID 108 (V): C 177.700 177.700 178.504 -0.804 RESID 108 (V): CA 66.920 66.920 65.955 0.965 RESID 108 (V): CB 31.430 31.430 31.730 -0.300 RESID 108 (V): H 7.015 7.015 7.521 -0.506 RESID 109 (A): N 121.400 121.400 122.844 -1.444 RESID 109 (A): C 181.100 181.100 179.244 1.856 RESID 109 (A): CA 55.540 55.540 54.928 0.612 RESID 109 (A): CB 17.900 17.900 18.040 -0.140 RESID 109 (A): H 8.262 8.262 8.134 0.128 RESID 110 (A): N 118.800 118.800 119.533 -0.733 RESID 110 (A): C 178.900 178.900 178.653 0.247 RESID 110 (A): CA 54.300 54.300 54.552 -0.252 RESID 110 (A): CB 18.460 18.460 18.488 -0.028 RESID 110 (A): H 7.607 7.607 7.918 -0.311 RESID 111 (Q): N 113.500 113.500 114.541 -1.041 RESID 111 (Q): C 174.900 174.900 175.964 -1.064 RESID 111 (Q): CA 55.160 55.160 54.260 0.900 RESID 111 (Q): CB 28.450 28.450 28.623 -0.173 RESID 111 (Q): H 7.148 7.148 7.448 -0.300 RESID 112 (M): N 114.700 114.700 120.815 -6.115 RESID 112 (M): C 173.300 173.300 173.237 0.063 RESID 112 (M): CA 55.900 55.900 55.526 0.374 RESID 112 (M): CB 30.300 30.300 31.738 -1.438 RESID 112 (M): H 7.882 7.882 7.940 -0.058 RESID 113 (P): C 176.700 176.700 176.277 0.423 RESID 113 (P): CA 62.820 62.820 62.609 0.211 RESID 113 (P): CB 33.340 33.340 32.968 0.372 RESID 114 (D): N 115.800 115.800 117.939 -2.139 RESID 114 (D): C 175.900 175.900 175.936 -0.036 RESID 114 (D): CA 53.150 53.150 55.237 -2.087 RESID 114 (D): CB 40.990 40.990 42.921 -1.931 RESID 114 (D): H 8.850 8.850 8.236 0.614 RESID 115 (L): C 174.900 174.900 174.303 0.597 RESID 115 (L): CA 52.800 52.800 54.130 -1.330 RESID 116 (I): N 123.500 123.500 126.235 -2.735 RESID 116 (I): CA 60.270 60.270 60.115 0.154 RESID 116 (I): H 9.340 9.340 8.029 1.311 RESID 118 (I): C 174.400 174.400 175.440 -1.040 RESID 118 (I): CA 60.250 60.250 59.783 0.467 RESID 118 (I): CB 42.610 42.610 41.434 1.176 RESID 119 (S): N 121.600 121.600 121.616 -0.016 RESID 119 (S): C 175.700 175.700 175.137 0.563 RESID 119 (S): CA 57.150 57.150 57.732 -0.582 RESID 119 (S): CB 65.280 65.280 64.606 0.674 RESID 119 (S): H 9.575 9.575 8.553 1.022 RESID 120 (A): N 126.000 126.000 124.510 1.490 RESID 120 (A): C 176.900 176.900 177.452 -0.552 RESID 120 (A): CA 54.300 54.300 54.337 -0.037 RESID 120 (A): CB 20.530 20.530 18.967 1.563 RESID 120 (A): H 8.143 8.143 8.704 -0.561 RESID 121 (T): N 106.400 106.400 110.514 -4.114 RESID 121 (T): C 173.000 173.000 173.116 -0.116 RESID 121 (T): CA 59.450 59.450 61.921 -2.471 RESID 121 (T): CB 72.310 72.310 70.707 1.603 RESID 121 (T): H 7.617 7.617 7.855 -0.238 RESID 122 (G): N 104.200 104.200 110.815 -6.615 RESID 122 (G): C 177.200 177.200 174.136 3.064 RESID 122 (G): CA 44.430 44.430 45.188 -0.758 RESID 122 (G): H 7.998 7.998 7.837 0.161 RESID 123 (G): C 174.100 174.100 174.320 -0.220 RESID 123 (G): CA 46.710 46.710 45.677 1.033 RESID 124 (D): N 116.900 116.900 119.148 -2.248 RESID 124 (D): C 176.900 176.900 175.737 1.163 RESID 124 (D): CA 52.320 52.320 52.924 -0.604 RESID 124 (D): CB 40.690 40.690 40.618 0.071 RESID 124 (D): H 8.617 8.617 7.725 0.892 RESID 125 (S): N 115.100 115.100 119.121 -4.021 RESID 125 (S): C 176.900 176.900 175.171 1.729 RESID 125 (S): CA 58.750 58.750 58.654 0.096 RESID 125 (S): CB 64.190 64.190 64.073 0.117 RESID 125 (S): H 7.322 7.322 8.435 -1.113 RESID 126 (A): N 134.900 134.900 130.092 4.808 RESID 126 (A): C 176.700 176.700 178.663 -1.963 RESID 126 (A): CA 51.150 51.150 53.519 -2.369 RESID 126 (A): CB 16.850 16.850 19.082 -2.232 RESID 126 (A): H 8.837 8.837 8.610 0.227 RESID 127 (L): N 121.000 121.000 121.023 -0.023 RESID 127 (L): C 178.900 178.900 178.350 0.550 RESID 127 (L): CA 58.730 58.730 57.267 1.463 RESID 127 (L): CB 42.840 42.840 41.611 1.230 RESID 127 (L): H 7.353 7.353 8.151 -0.798 RESID 128 (A): N 121.600 121.600 118.159 3.441 RESID 128 (A): C 178.900 178.900 178.139 0.761 RESID 128 (A): CA 55.010 55.010 54.180 0.830 RESID 128 (A): CB 18.200 18.200 18.697 -0.497 RESID 128 (A): H 8.918 8.918 7.626 1.292 RESID 129 (L): N 116.800 116.800 116.152 0.648 RESID 129 (L): C 177.000 177.000 177.870 -0.870 RESID 129 (L): CA 53.930 53.930 55.198 -1.268 RESID 129 (L): CB 42.710 42.710 43.109 -0.400 RESID 129 (L): H 7.776 7.776 7.421 0.355 RESID 130 (Y): N 122.000 122.000 122.824 -0.824 RESID 130 (Y): C 177.100 177.100 176.707 0.393 RESID 130 (Y): CA 64.420 64.420 62.987 1.433 RESID 130 (Y): CB 39.470 39.470 38.422 1.048 RESID 130 (Y): H 7.891 7.891 8.983 -1.092 RESID 131 (D): N 119.000 119.000 117.792 1.208 RESID 131 (D): C 178.300 178.300 178.458 -0.158 RESID 131 (D): CA 58.040 58.040 57.462 0.578 RESID 131 (D): CB 39.660 39.660 39.343 0.317 RESID 131 (D): H 9.014 9.014 8.106 0.908 RESID 132 (Q): N 118.900 118.900 120.022 -1.122 RESID 132 (Q): C 179.100 179.100 178.809 0.291 RESID 132 (Q): CA 58.930 58.930 58.789 0.141 RESID 132 (Q): CB 29.320 29.320 28.710 0.610 RESID 132 (Q): H 7.814 7.814 7.996 -0.182 RESID 133 (L): N 119.700 119.700 120.138 -0.438 RESID 133 (L): C 177.900 177.900 178.603 -0.703 RESID 133 (L): CA 57.910 57.910 57.663 0.247 RESID 133 (L): CB 40.980 40.980 41.791 -0.811 RESID 133 (L): H 8.450 8.450 8.805 -0.355 RESID 134 (S): N 111.800 111.800 114.912 -3.112 RESID 134 (S): C 175.500 175.500 175.834 -0.334 RESID 134 (S): CA 61.160 61.160 60.911 0.249 RESID 134 (S): CB 63.450 63.450 62.699 0.751 RESID 134 (S): H 8.128 8.128 8.462 -0.334 RESID 135 (T): N 111.100 111.100 115.998 -4.898 RESID 135 (T): C 175.300 175.300 176.615 -1.315 RESID 135 (T): CA 63.230 63.230 65.311 -2.081 RESID 135 (T): CB 69.670 69.670 69.009 0.661 RESID 135 (T): H 6.953 6.953 7.566 -0.613 RESID 136 (I): N 124.400 124.400 120.488 3.912 RESID 136 (I): C 175.800 175.800 175.573 0.227 RESID 136 (I): CA 63.940 63.940 64.024 -0.084 RESID 136 (I): CB 38.870 38.870 38.567 0.303 RESID 136 (I): H 7.694 7.694 7.352 0.342 RESID 137 (A): N 120.500 120.500 118.633 1.867 RESID 137 (A): C 172.300 172.300 173.977 -1.677 RESID 137 (A): CA 50.470 50.470 50.584 -0.114 RESID 137 (A): CB 19.320 19.320 19.477 -0.157 RESID 137 (A): H 7.540 7.540 7.970 -0.430 RESID 138 (P): C 174.700 174.700 176.196 -1.496 RESID 138 (P): CA 64.700 64.700 63.600 1.100 RESID 138 (P): CB 31.610 31.610 31.544 0.066 RESID 139 (T): N 122.000 122.000 119.863 2.137 RESID 139 (T): C 173.900 173.900 173.939 -0.039 RESID 139 (T): CA 61.630 61.630 63.154 -1.524 RESID 139 (T): CB 71.540 71.540 69.686 1.853 RESID 139 (T): H 7.990 7.990 8.151 -0.161 RESID 140 (L): C 174.900 174.900 174.286 0.614 RESID 140 (L): CA 52.740 52.740 53.536 -0.796 RESID 140 (L): CB 46.680 46.680 46.027 0.653 RESID 141 (I): N 123.500 123.500 125.749 -2.249 RESID 141 (I): C 175.700 175.700 174.688 1.012 RESID 141 (I): CA 60.250 60.250 61.194 -0.944 RESID 141 (I): CB 39.590 39.590 38.561 1.029 RESID 141 (I): H 9.345 9.345 7.887 1.458 RESID 142 (I): N 129.000 129.000 127.102 1.898 RESID 142 (I): C 174.400 174.400 174.154 0.246 RESID 142 (I): CA 57.930 57.930 59.860 -1.930 RESID 142 (I): CB 39.690 39.690 42.146 -2.456 RESID 142 (I): H 9.030 9.030 8.937 0.093 RESID 143 (N): N 129.100 129.100 124.201 4.899 RESID 143 (N): C 174.700 174.700 174.212 0.488 RESID 143 (N): CA 51.390 51.390 53.303 -1.913 RESID 143 (N): CB 39.720 39.720 39.644 0.076 RESID 143 (N): H 9.388 9.388 8.658 0.730 RESID 144 (Y): N 119.900 119.900 125.715 -5.815 RESID 144 (Y): C 176.500 176.500 174.769 1.731 RESID 144 (Y): CA 55.820 55.820 59.512 -3.692 RESID 144 (Y): CB 39.120 39.120 39.303 -0.183 RESID 144 (Y): H 8.491 8.491 8.480 0.011 RESID 145 (D): N 125.200 125.200 124.335 0.865 RESID 145 (D): C 176.800 176.800 175.050 1.750 RESID 145 (D): CA 55.220 55.220 55.420 -0.201 RESID 145 (D): CB 43.120 43.120 39.769 3.351 RESID 145 (D): H 8.800 8.800 8.357 0.443 RESID 146 (D): N 119.100 119.100 115.169 3.931 RESID 146 (D): C 175.200 175.200 175.312 -0.112 RESID 146 (D): CA 53.230 53.230 53.602 -0.372 RESID 146 (D): CB 40.760 40.760 42.386 -1.626 RESID 146 (D): H 7.571 7.571 8.615 -1.044 RESID 147 (K): N 114.100 114.100 119.780 -5.680 RESID 147 (K): C 175.000 175.000 175.269 -0.269 RESID 147 (K): CA 54.070 54.070 55.602 -1.532 RESID 147 (K): CB 33.340 33.340 35.184 -1.844 RESID 147 (K): H 7.018 7.018 7.560 -0.542 RESID 148 (S): N 118.300 118.300 118.711 -0.411 RESID 148 (S): C 175.700 175.700 176.098 -0.398 RESID 148 (S): CA 57.120 57.120 57.196 -0.076 RESID 148 (S): CB 64.970 64.970 64.249 0.721 RESID 148 (S): H 8.709 8.709 8.502 0.207 RESID 149 (W): N 121.700 121.700 119.981 1.719 RESID 149 (W): C 179.300 179.300 177.221 2.079 RESID 149 (W): CA 59.890 59.890 58.586 1.304 RESID 149 (W): CB 27.660 27.660 28.373 -0.713 RESID 149 (W): H 8.779 8.779 8.919 -0.140 RESID 150 (Q): N 124.600 124.600 120.801 3.799 RESID 150 (Q): C 178.100 178.100 178.004 0.096 RESID 150 (Q): CA 61.660 61.660 58.162 3.498 RESID 150 (Q): CB 26.550 26.550 27.664 -1.114 RESID 150 (Q): H 8.369 8.369 6.807 1.562 RESID 151 (S): N 117.500 117.500 116.387 1.113 RESID 151 (S): C 177.500 177.500 176.912 0.588 RESID 151 (S): CA 61.760 61.760 61.188 0.571 RESID 151 (S): CB 63.360 63.360 62.661 0.699 RESID 151 (S): H 7.769 7.769 7.692 0.077 RESID 152 (L): N 125.200 125.200 122.658 2.542 RESID 152 (L): C 178.700 178.700 178.155 0.545 RESID 152 (L): CA 58.320 58.320 57.922 0.397 RESID 152 (L): CB 41.980 41.980 41.691 0.289 RESID 152 (L): H 8.460 8.460 8.404 0.056 RESID 153 (L): N 119.200 119.200 118.646 0.554 RESID 153 (L): C 179.700 179.700 178.658 1.042 RESID 153 (L): CA 58.960 58.960 57.533 1.427 RESID 153 (L): CB 41.270 41.270 41.367 -0.097 RESID 153 (L): H 8.562 8.562 7.623 0.939 RESID 154 (T): N 116.300 116.300 112.777 3.523 RESID 154 (T): C 177.200 177.200 176.896 0.304 RESID 154 (T): CA 67.290 67.290 65.965 1.325 RESID 154 (T): CB 68.640 68.640 68.103 0.537 RESID 154 (T): H 8.004 8.004 7.867 0.137 RESID 155 (Q): N 124.500 124.500 120.995 3.505 RESID 155 (Q): C 179.200 179.200 177.998 1.202 RESID 155 (Q): CA 59.710 59.710 58.336 1.374 RESID 155 (Q): CB 28.620 28.620 28.353 0.267 RESID 155 (Q): H 8.230 8.230 7.910 0.320 RESID 156 (L): C 180.900 180.900 179.262 1.638 RESID 156 (L): CA 57.540 57.540 56.920 0.620 RESID 156 (L): CB 41.710 41.710 41.837 -0.127 RESID 157 (G): N 112.800 112.800 107.017 5.783 RESID 157 (G): C 174.500 174.500 175.073 -0.573 RESID 157 (G): CA 48.300 48.300 46.514 1.786 RESID 157 (G): H 9.216 9.216 7.993 1.223 RESID 158 (E): N 123.500 123.500 118.647 4.853 RESID 158 (E): C 177.800 177.800 177.131 0.669 RESID 158 (E): CA 59.120 59.120 57.853 1.267 RESID 158 (E): CB 29.700 29.700 29.378 0.322 RESID 158 (E): H 7.480 7.480 7.462 0.018 RESID 160 (T): C 178.300 178.300 175.981 2.319 RESID 160 (T): CA 61.930 61.930 63.147 -1.217 RESID 160 (T): CB 71.830 71.830 69.209 2.621 RESID 161 (G): N 113.600 113.600 113.840 -0.240 RESID 161 (G): C 174.600 174.600 174.141 0.459 RESID 161 (G): CA 48.130 48.130 46.892 1.238 RESID 161 (G): H 8.114 8.114 8.996 -0.882 RESID 162 (H): N 121.000 121.000 116.023 4.977 RESID 162 (H): C 174.000 174.000 176.156 -2.156 RESID 162 (H): CA 55.370 55.370 55.850 -0.480 RESID 162 (H): CB 28.280 28.280 31.291 -3.011 RESID 162 (H): H 8.506 8.506 7.834 0.672 RESID 163 (E): N 123.900 123.900 122.132 1.768 RESID 163 (E): C 180.800 180.800 178.462 2.338 RESID 163 (E): CA 61.160 61.160 59.718 1.442 RESID 163 (E): CB 28.720 28.720 29.163 -0.443 RESID 163 (E): H 10.300 10.300 8.761 1.539 RESID 164 (K): N 120.600 120.600 120.377 0.223 RESID 164 (K): C 178.700 178.700 178.793 -0.093 RESID 164 (K): CA 59.590 59.590 60.043 -0.453 RESID 164 (K): CB 32.280 32.280 31.971 0.309 RESID 164 (K): H 8.789 8.789 8.394 0.395 RESID 165 (Q): N 119.500 119.500 117.300 2.200 RESID 165 (Q): C 178.800 178.800 178.128 0.672 RESID 165 (Q): CA 60.870 60.870 58.837 2.033 RESID 165 (Q): CB 28.120 28.120 28.387 -0.267 RESID 165 (Q): H 8.058 8.058 8.543 -0.485 RESID 166 (A): N 121.100 121.100 122.449 -1.349 RESID 166 (A): C 178.000 178.000 179.424 -1.424 RESID 166 (A): CA 56.280 56.280 54.961 1.319 RESID 166 (A): CB 18.300 18.300 18.074 0.226 RESID 166 (A): H 7.873 7.873 8.006 -0.133 RESID 167 (A): N 117.900 117.900 120.924 -3.024 RESID 167 (A): C 181.500 181.500 179.608 1.892 RESID 167 (A): CA 55.100 55.100 55.260 -0.160 RESID 167 (A): CB 17.860 17.860 18.170 -0.310 RESID 167 (A): H 7.642 7.642 8.753 -1.111 RESID 168 (E): N 120.100 120.100 118.570 1.530 RESID 168 (E): C 179.600 179.600 179.129 0.471 RESID 168 (E): CA 59.610 59.610 59.614 -0.004 RESID 168 (E): CB 29.790 29.790 29.339 0.451 RESID 168 (E): H 8.230 8.230 7.900 0.330 RESID 170 (I): C 177.700 177.700 177.696 0.004 RESID 170 (I): CA 66.880 66.880 65.308 1.572 RESID 170 (I): CB 39.310 39.310 37.952 1.358 RESID 171 (A): N 120.700 120.700 123.180 -2.480 RESID 171 (A): C 181.200 181.200 179.840 1.360 RESID 171 (A): CA 55.290 55.290 55.638 -0.348 RESID 171 (A): CB 18.260 18.260 18.113 0.147 RESID 171 (A): H 8.000 8.000 8.780 -0.780 RESID 172 (Q): N 120.600 120.600 118.016 2.584 RESID 172 (Q): C 179.200 179.200 178.582 0.618 RESID 172 (Q): CA 59.210 59.210 58.494 0.716 RESID 172 (Q): CB 28.340 28.340 28.598 -0.258 RESID 172 (Q): H 8.585 8.585 7.945 0.640 RESID 173 (F): N 122.500 122.500 122.656 -0.156 RESID 173 (F): C 176.400 176.400 177.406 -1.006 RESID 173 (F): CA 62.710 62.710 61.117 1.593 RESID 173 (F): CB 39.490 39.490 39.123 0.367 RESID 173 (F): H 8.457 8.457 8.764 -0.307 RESID 174 (D): N 121.000 121.000 120.091 0.909 RESID 174 (D): C 180.300 180.300 178.883 1.417 RESID 174 (D): CA 58.040 58.040 57.495 0.546 RESID 174 (D): CB 40.160 40.160 40.248 -0.088 RESID 174 (D): H 8.771 8.771 9.037 -0.266 RESID 175 (K): N 121.300 121.300 120.204 1.096 RESID 175 (K): C 179.800 179.800 178.637 1.163 RESID 175 (K): CA 59.630 59.630 59.639 -0.009 RESID 175 (K): CB 32.710 32.710 32.394 0.316 RESID 175 (K): H 8.125 8.125 8.185 -0.060 RESID 176 (Q): N 121.600 121.600 119.503 2.097 RESID 176 (Q): C 179.100 179.100 178.332 0.768 RESID 176 (Q): CA 58.460 58.460 58.936 -0.476 RESID 176 (Q): CB 27.990 27.990 28.526 -0.536 RESID 176 (Q): H 8.164 8.164 7.816 0.348 RESID 177 (L): N 125.600 125.600 119.612 5.988 RESID 177 (L): C 178.400 178.400 178.678 -0.278 RESID 177 (L): CA 59.890 59.890 57.246 2.644 RESID 177 (L): CB 41.200 41.200 41.359 -0.159 RESID 177 (L): H 8.944 8.944 7.739 1.205 RESID 178 (A): N 121.500 121.500 122.538 -1.038 RESID 178 (A): C 180.600 180.600 179.232 1.368 RESID 178 (A): CA 55.390 55.390 55.191 0.199 RESID 178 (A): CB 17.970 17.970 17.884 0.086 RESID 178 (A): H 7.690 7.690 8.230 -0.540 RESID 179 (A): N 120.200 120.200 120.985 -0.785 RESID 179 (A): C 180.600 180.600 179.889 0.711 RESID 179 (A): CA 54.860 54.860 54.524 0.336 RESID 179 (A): CB 18.190 18.190 18.597 -0.407 RESID 179 (A): H 7.706 7.706 7.662 0.044 RESID 180 (A): N 121.800 121.800 121.813 -0.013 RESID 180 (A): C 179.200 179.200 179.098 0.102 RESID 180 (A): CA 55.490 55.490 54.739 0.752 RESID 180 (A): CB 17.920 17.920 18.184 -0.264 RESID 180 (A): H 8.171 8.171 8.007 0.164 RESID 181 (K): N 118.100 118.100 118.000 0.100 RESID 181 (K): C 178.000 178.000 178.104 -0.104 RESID 181 (K): CA 59.830 59.830 59.221 0.609 RESID 181 (K): CB 33.340 33.340 32.636 0.704 RESID 181 (K): H 8.342 8.342 8.313 0.029 RESID 182 (E): N 114.400 114.400 116.572 -2.172 RESID 182 (E): C 177.300 177.300 177.443 -0.143 RESID 182 (E): CA 57.870 57.870 57.134 0.736 RESID 182 (E): CB 30.320 30.320 29.247 1.073 RESID 182 (E): H 7.153 7.153 7.752 -0.599 RESID 183 (Q): N 116.700 116.700 117.384 -0.684 RESID 183 (Q): C 177.200 177.200 176.181 1.019 RESID 183 (Q): CA 57.060 57.060 56.831 0.229 RESID 183 (Q): CB 31.550 31.550 31.123 0.427 RESID 183 (Q): H 7.458 7.458 7.641 -0.183 RESID 184 (I): N 117.800 117.800 115.851 1.949 RESID 184 (I): C 175.200 175.200 174.245 0.955 RESID 184 (I): CA 63.000 63.000 59.744 3.256 RESID 184 (I): CB 40.300 40.300 39.964 0.336 RESID 184 (I): H 7.723 7.723 7.432 0.291 RESID 185 (K): N 127.700 127.700 122.716 4.984 RESID 185 (K): C 175.600 175.600 175.328 0.272 RESID 185 (K): CA 54.550 54.550 55.055 -0.505 RESID 185 (K): CB 31.600 31.600 34.361 -2.761 RESID 185 (K): H 8.743 8.743 7.937 0.806 RESID 186 (L): N 124.700 124.700 125.378 -0.678 RESID 186 (L): C 175.700 175.700 175.848 -0.148 RESID 186 (L): CA 54.240 54.240 52.169 2.071 RESID 186 (L): CB 41.050 41.050 40.795 0.255 RESID 186 (L): H 8.051 8.051 8.563 -0.512 RESID 188 (P): C 174.800 174.800 176.255 -1.455 RESID 188 (P): CA 65.060 65.060 63.593 1.467 RESID 188 (P): CB 32.670 32.670 31.674 0.996 RESID 189 (Q): N 121.300 121.300 121.053 0.247 RESID 189 (Q): C 174.800 174.800 172.928 1.872 RESID 189 (Q): CA 52.330 52.330 54.722 -2.393 RESID 189 (Q): CB 31.350 31.350 30.381 0.969 RESID 189 (Q): H 8.061 8.061 8.226 -0.165 RESID 190 (P): C 175.500 175.500 175.547 -0.047 RESID 190 (P): CA 62.820 62.820 62.458 0.362 RESID 190 (P): CB 35.450 35.450 32.823 2.627 RESID 191 (V): N 112.600 112.600 121.608 -9.008 RESID 191 (V): C 174.300 174.300 173.966 0.334 RESID 191 (V): CA 59.740 59.740 59.526 0.214 RESID 191 (V): CB 35.030 35.030 34.688 0.342 RESID 191 (V): H 9.214 9.214 8.488 0.726 RESID 192 (T): N 120.700 120.700 113.375 7.325 RESID 192 (T): C 172.300 172.300 172.091 0.209 RESID 192 (T): CA 63.030 63.030 59.527 3.503 RESID 192 (T): CB 71.550 71.550 71.250 0.300 RESID 192 (T): H 8.462 8.462 8.324 0.138 RESID 193 (A): N 132.900 132.900 122.986 9.914 RESID 193 (A): C 175.400 175.400 175.404 -0.004 RESID 193 (A): CA 50.570 50.570 51.129 -0.559 RESID 193 (A): CB 21.140 21.140 21.432 -0.292 RESID 193 (A): H 10.170 10.170 8.559 1.611 RESID 194 (I): N 115.400 115.400 117.463 -2.063 RESID 194 (I): C 176.600 176.600 173.690 2.910 RESID 194 (I): CA 59.540 59.540 59.998 -0.458 RESID 194 (I): CB 43.930 43.930 42.131 1.799 RESID 194 (I): H 9.269 9.269 8.525 0.744 RESID 195 (V): N 118.500 118.500 122.692 -4.192 RESID 195 (V): C 176.200 176.200 174.063 2.137 RESID 195 (V): CA 63.190 63.190 61.376 1.814 RESID 195 (V): CB 34.870 34.870 34.752 0.118 RESID 195 (V): H 8.484 8.484 8.647 -0.163 RESID 196 (Y): N 132.200 132.200 129.454 2.746 RESID 196 (Y): C 174.700 174.700 174.138 0.562 RESID 196 (Y): CA 57.000 57.000 57.422 -0.422 RESID 196 (Y): CB 41.250 41.250 40.188 1.062 RESID 196 (Y): H 9.989 9.989 8.977 1.012 RESID 197 (T): N 124.900 124.900 123.392 1.508 RESID 197 (T): C 174.300 174.300 173.368 0.932 RESID 197 (T): CA 60.740 60.740 60.626 0.114 RESID 197 (T): CB 68.560 68.560 71.606 -3.046 RESID 197 (T): H 8.262 8.262 7.823 0.439 RESID 198 (A): N 130.500 130.500 130.757 -0.257 RESID 198 (A): C 180.400 180.400 179.230 1.170 RESID 198 (A): CA 55.510 55.510 54.346 1.164 RESID 198 (A): CB 18.480 18.480 18.402 0.078 RESID 198 (A): H 8.524 8.524 8.852 -0.328 RESID 199 (A): N 118.700 118.700 123.535 -4.835 RESID 199 (A): C 177.700 177.700 178.712 -1.012 RESID 199 (A): CA 54.350 54.350 54.861 -0.511 RESID 199 (A): CB 18.350 18.350 17.938 0.412 RESID 199 (A): H 8.578 8.578 8.285 0.293 RESID 200 (A): N 116.700 116.700 120.525 -3.825 RESID 200 (A): C 176.600 176.600 177.255 -0.655 RESID 200 (A): CA 51.290 51.290 52.070 -0.780 RESID 200 (A): CB 20.180 20.180 18.868 1.312 RESID 200 (A): H 6.638 6.638 8.104 -1.466 RESID 201 (H): N 116.900 116.900 116.541 0.359 RESID 201 (H): C 172.900 172.900 173.405 -0.505 RESID 201 (H): CA 56.710 56.710 56.333 0.377 RESID 201 (H): CB 27.820 27.820 28.262 -0.442 RESID 201 (H): H 7.569 7.569 7.793 -0.224 RESID 202 (S): N 110.500 110.500 114.441 -3.941 RESID 202 (S): C 171.500 171.500 171.452 0.048 RESID 202 (S): CA 56.530 56.530 57.590 -1.060 RESID 202 (S): CB 66.170 66.170 66.291 -0.121 RESID 202 (S): H 7.109 7.109 7.800 -0.691 RESID 203 (A): N 120.900 120.900 123.874 -2.974 RESID 203 (A): C 174.900 174.900 175.289 -0.389 RESID 203 (A): CA 50.890 50.890 51.412 -0.522 RESID 203 (A): CB 24.510 24.510 22.203 2.307 RESID 203 (A): H 8.618 8.618 8.308 0.310 RESID 204 (N): N 118.900 118.900 118.862 0.038 RESID 204 (N): C 173.300 173.300 173.454 -0.154 RESID 204 (N): CA 51.520 51.520 52.066 -0.546 RESID 204 (N): CB 40.080 40.080 42.158 -2.078 RESID 204 (N): H 8.333 8.333 8.215 0.118 RESID 205 (L): N 127.200 127.200 121.726 5.474 RESID 205 (L): C 175.700 175.700 175.565 0.135 RESID 205 (L): CA 54.920 54.920 54.060 0.860 RESID 205 (L): CB 44.180 44.180 42.653 1.527 RESID 205 (L): H 9.265 9.265 7.617 1.648 RESID 206 (W): N 125.300 125.300 123.635 1.665 RESID 206 (W): C 177.100 177.100 176.450 0.650 RESID 206 (W): CA 56.630 56.630 57.378 -0.748 RESID 206 (W): CB 29.690 29.690 30.818 -1.128 RESID 206 (W): H 8.560 8.560 7.916 0.644 RESID 207 (T): N 112.000 112.000 110.169 1.831 RESID 207 (T): C 176.100 176.100 173.278 2.822 RESID 207 (T): CA 60.120 60.120 59.240 0.880 RESID 207 (T): CB 68.540 68.540 70.373 -1.833 RESID 207 (T): H 8.029 8.029 8.136 -0.107 RESID 208 (P): C 176.000 176.000 176.851 -0.851 RESID 208 (P): CA 66.120 66.120 65.389 0.731 RESID 208 (P): CB 31.950 31.950 32.167 -0.217 RESID 209 (E): N 112.300 112.300 115.054 -2.754 RESID 209 (E): C 177.100 177.100 176.811 0.289 RESID 209 (E): CA 57.280 57.280 57.224 0.056 RESID 209 (E): CB 29.760 29.760 30.147 -0.387 RESID 209 (E): H 7.612 7.612 7.968 -0.356 RESID 210 (S): N 115.800 115.800 115.070 0.730 RESID 210 (S): C 173.900 173.900 175.524 -1.624 RESID 210 (S): CA 58.060 58.060 59.191 -1.131 RESID 210 (S): CB 67.320 67.320 64.471 2.849 RESID 210 (S): H 7.654 7.654 7.429 0.225 RESID 211 (A): N 125.200 125.200 127.387 -2.187 RESID 211 (A): C 180.600 180.600 179.849 0.751 RESID 211 (A): CA 55.410 55.410 55.319 0.090 RESID 211 (A): CB 18.530 18.530 18.765 -0.235 RESID 211 (A): H 8.874 8.874 9.023 -0.149 RESID 212 (Q): N 119.200 119.200 118.641 0.559 RESID 212 (Q): C 177.100 177.100 178.019 -0.919 RESID 212 (Q): CA 61.410 61.410 58.976 2.434 RESID 212 (Q): CB 27.090 27.090 27.421 -0.331 RESID 212 (Q): H 8.493 8.493 8.479 0.014 RESID 213 (G): N 107.500 107.500 107.641 -0.141 RESID 213 (G): C 175.400 175.400 176.316 -0.916 RESID 213 (G): CA 47.520 47.520 46.825 0.695 RESID 213 (G): H 8.053 8.053 8.300 -0.247 RESID 214 (Q): N 120.700 120.700 121.483 -0.783 RESID 214 (Q): C 179.000 179.000 178.388 0.612 RESID 214 (Q): CA 59.150 59.150 58.868 0.282 RESID 214 (Q): CB 29.110 29.110 28.697 0.413 RESID 214 (Q): H 8.501 8.501 8.084 0.417 RESID 215 (M): N 119.200 119.200 120.620 -1.420 RESID 215 (M): C 177.800 177.800 178.165 -0.365 RESID 215 (M): CA 59.760 59.760 59.643 0.117 RESID 215 (M): CB 32.050 32.050 32.846 -0.796 RESID 215 (M): H 7.878 7.878 8.196 -0.318 RESID 216 (L): N 115.800 115.800 118.828 -3.028 RESID 216 (L): C 179.900 179.900 179.030 0.870 RESID 216 (L): CA 58.160 58.160 57.652 0.508 RESID 216 (L): CB 40.010 40.010 41.460 -1.450 RESID 216 (L): H 7.517 7.517 7.978 -0.461 RESID 217 (E): N 121.000 121.000 119.689 1.311 RESID 217 (E): C 182.200 182.200 179.263 2.937 RESID 217 (E): CA 60.210 60.210 58.929 1.281 RESID 217 (E): CB 29.150 29.150 29.423 -0.273 RESID 217 (E): H 8.377 8.377 8.185 0.192 RESID 218 (Q): N 122.300 122.300 117.136 5.164 RESID 218 (Q): C 178.100 178.100 178.880 -0.780 RESID 218 (Q): CA 59.220 59.220 58.264 0.956 RESID 218 (Q): CB 28.850 28.850 29.115 -0.265 RESID 218 (Q): H 8.464 8.464 7.921 0.543 RESID 219 (L): N 118.400 118.400 117.731 0.669 RESID 219 (L): C 175.200 175.200 177.444 -2.244 RESID 219 (L): CA 55.880 55.880 57.231 -1.351 RESID 219 (L): CB 44.330 44.330 42.875 1.455 RESID 219 (L): H 7.433 7.433 7.773 -0.340 RESID 220 (G): N 104.600 104.600 102.701 1.899 RESID 220 (G): C 174.700 174.700 172.921 1.779 RESID 220 (G): CA 44.750 44.750 44.690 0.060 RESID 220 (G): H 7.777 7.777 8.172 -0.395 RESID 221 (F): N 119.100 119.100 118.768 0.332 RESID 221 (F): C 175.200 175.200 174.116 1.084 RESID 221 (F): CA 57.900 57.900 55.990 1.909 RESID 221 (F): CB 38.930 38.930 42.562 -3.631 RESID 221 (F): H 8.001 8.001 7.788 0.213 RESID 222 (T): N 117.600 117.600 116.187 1.413 RESID 222 (T): C 173.900 173.900 173.470 0.430 RESID 222 (T): CA 61.790 61.790 61.353 0.437 RESID 222 (T): CB 71.360 71.360 69.571 1.789 RESID 222 (T): H 8.961 8.961 8.741 0.220 RESID 223 (L): N 128.300 128.300 127.070 1.230 RESID 223 (L): C 178.300 178.300 176.632 1.668 RESID 223 (L): CA 54.760 54.760 53.406 1.354 RESID 223 (L): CB 41.600 41.600 42.746 -1.146 RESID 223 (L): H 9.269 9.269 8.210 1.059 RESID 224 (A): N 126.800 126.800 128.105 -1.305 RESID 224 (A): C 177.400 177.400 175.862 1.538 RESID 224 (A): CA 52.460 52.460 50.992 1.468 RESID 224 (A): CB 18.650 18.650 20.829 -2.179 RESID 224 (A): H 9.077 9.077 8.110 0.967 RESID 225 (K): N 123.400 123.400 121.153 2.247 RESID 225 (K): C 176.800 176.800 176.191 0.609 RESID 225 (K): CA 55.600 55.600 55.577 0.023 RESID 225 (K): CB 33.080 33.080 32.905 0.175 RESID 225 (K): H 8.601 8.601 8.363 0.238 RESID 226 (L): N 126.200 126.200 128.003 -1.803 RESID 226 (L): C 175.500 175.500 175.609 -0.109 RESID 226 (L): CA 53.420 53.420 53.960 -0.540 RESID 226 (L): CB 41.720 41.720 41.244 0.476 RESID 226 (L): H 8.634 8.634 8.521 0.113 RESID 227 (P): C 176.800 176.800 177.071 -0.271 RESID 227 (P): CA 62.860 62.860 62.878 -0.018 RESID 227 (P): CB 32.360 32.360 32.191 0.169 RESID 228 (A): N 124.900 124.900 124.817 0.083 RESID 228 (A): C 179.500 179.500 178.492 1.008 RESID 228 (A): CA 54.120 54.120 53.421 0.699 RESID 228 (A): CB 18.710 18.710 18.702 0.008 RESID 228 (A): H 8.412 8.412 8.513 -0.101 RESID 229 (G): N 107.700 107.700 107.502 0.198 RESID 229 (G): C 175.000 175.000 175.992 -0.992 RESID 229 (G): CA 46.040 46.040 45.433 0.607 RESID 229 (G): H 8.565 8.565 8.101 0.464 RESID 230 (L): N 121.100 121.100 122.307 -1.207 RESID 230 (L): C 176.900 176.900 178.365 -1.465 RESID 230 (L): CA 55.620 55.620 55.538 0.082 RESID 230 (L): CB 42.630 42.630 41.662 0.968 RESID 230 (L): H 7.454 7.454 7.873 -0.419 RESID 231 (N): N 119.400 119.400 119.834 -0.434 RESID 231 (N): C 175.300 175.300 175.911 -0.611 RESID 231 (N): CA 53.650 53.650 56.109 -2.459 RESID 231 (N): CB 38.940 38.940 37.976 0.964 RESID 231 (N): H 8.211 8.211 8.020 0.191 RESID 232 (A): N 124.500 124.500 119.560 4.940 RESID 232 (A): C 178.100 178.100 178.048 0.052 RESID 232 (A): CA 53.110 53.110 51.716 1.394 RESID 232 (A): CB 19.340 19.340 17.997 1.343 RESID 232 (A): H 8.103 8.103 7.937 0.166 RESID 233 (S): N 115.200 115.200 115.224 -0.024 RESID 233 (S): C 175.100 175.100 175.574 -0.474 RESID 233 (S): CA 59.280 59.280 61.002 -1.722 RESID 233 (S): CB 64.280 64.280 63.338 0.942 RESID 233 (S): H 8.169 8.169 8.438 -0.269 RESID 234 (Q): N 122.100 122.100 120.558 1.542 RESID 234 (Q): C 176.400 176.400 175.670 0.730 RESID 234 (Q): CA 56.240 56.240 56.035 0.205 RESID 234 (Q): CB 29.490 29.490 30.819 -1.329 RESID 234 (Q): H 8.230 8.230 7.760 0.470 RESID 235 (S): N 117.100 117.100 118.113 -1.013 RESID 235 (S): C 174.900 174.900 174.685 0.215 RESID 235 (S): CA 58.910 58.910 58.947 -0.037 RESID 235 (S): CB 64.510 64.510 62.883 1.627 RESID 235 (S): H 8.229 8.229 8.440 -0.211 RESID 236 (Q): N 122.300 122.300 127.095 -4.795 RESID 236 (Q): C 176.700 176.700 175.434 1.266 RESID 236 (Q): CA 56.610 56.610 55.486 1.125 RESID 236 (Q): CB 29.280 29.280 27.651 1.629 RESID 236 (Q): H 8.372 8.372 8.850 -0.478 RESID 237 (G): N 110.400 110.400 109.010 1.390 RESID 237 (G): C 174.100 174.100 172.964 1.136 RESID 237 (G): CA 45.720 45.720 45.461 0.260 RESID 237 (G): H 8.381 8.381 7.573 0.808 RESID 238 (K): N 120.500 120.500 121.455 -0.955 RESID 238 (K): C 176.600 176.600 175.487 1.113 RESID 238 (K): CA 56.490 56.490 56.027 0.463 RESID 238 (K): CB 33.320 33.320 32.772 0.548 RESID 238 (K): H 7.968 7.968 8.358 -0.390 RESID 239 (R): N 120.900 120.900 125.001 -4.101 RESID 239 (R): CA 56.130 56.130 55.944 0.186 RESID 239 (R): CB 31.560 31.560 30.906 0.654 RESID 239 (R): H 8.159 8.159 8.507 -0.348 RESID 240 (H): C 174.800 174.800 176.514 -1.714 RESID 240 (H): CA 55.740 55.740 58.654 -2.914 RESID 240 (H): CB 29.760 29.760 30.068 -0.308 RESID 241 (D): N 119.800 119.800 119.229 0.571 RESID 241 (D): C 174.700 174.700 176.268 -1.568 RESID 241 (D): CA 55.500 55.500 55.976 -0.476 RESID 241 (D): CB 40.550 40.550 41.216 -0.666 RESID 241 (D): H 9.052 9.052 8.387 0.665 RESID 242 (I): N 115.200 115.200 115.004 0.196 RESID 242 (I): C 175.600 175.600 174.385 1.215 RESID 242 (I): CA 59.090 59.090 59.411 -0.321 RESID 242 (I): CB 43.670 43.670 40.921 2.749 RESID 242 (I): H 7.087 7.087 7.412 -0.325 RESID 243 (I): N 125.100 125.100 126.155 -1.055 RESID 243 (I): C 175.300 175.300 174.263 1.037 RESID 243 (I): CA 60.340 60.340 60.628 -0.288 RESID 243 (I): CB 41.290 41.290 38.422 2.868 RESID 243 (I): H 8.746 8.746 8.502 0.244 RESID 244 (Q): N 128.400 128.400 127.536 0.864 RESID 244 (Q): C 175.300 175.300 174.251 1.049 RESID 244 (Q): CA 56.460 56.460 54.924 1.536 RESID 244 (Q): CB 29.800 29.800 29.799 0.001 RESID 244 (Q): H 8.768 8.768 8.602 0.166 RESID 245 (L): N 125.500 125.500 123.474 2.026 RESID 245 (L): C 176.200 176.200 176.630 -0.430 RESID 245 (L): CA 53.790 53.790 53.099 0.691 RESID 245 (L): CB 45.100 45.100 44.868 0.231 RESID 245 (L): H 8.640 8.640 8.347 0.293 RESID 246 (G): N 109.700 109.700 105.079 4.621 RESID 246 (G): C 174.200 174.200 174.319 -0.119 RESID 246 (G): CA 44.590 44.590 45.038 -0.448 RESID 246 (G): H 8.424 8.424 8.444 -0.020 RESID 247 (G): N 108.500 108.500 108.636 -0.136 RESID 247 (G): C 176.800 176.800 174.971 1.829 RESID 247 (G): CA 47.500 47.500 44.333 3.167 RESID 247 (G): H 8.666 8.666 7.742 0.924 RESID 248 (E): N 123.700 123.700 121.180 2.520 RESID 248 (E): C 177.300 177.300 176.498 0.802 RESID 248 (E): CA 58.560 58.560 57.514 1.046 RESID 248 (E): CB 29.330 29.330 29.152 0.178 RESID 248 (E): H 9.265 9.265 8.818 0.447 RESID 249 (N): N 116.700 116.700 116.628 0.072 RESID 249 (N): C 175.500 175.500 176.012 -0.512 RESID 249 (N): CA 53.490 53.490 53.556 -0.066 RESID 249 (N): CB 39.390 39.390 38.838 0.552 RESID 249 (N): H 7.963 7.963 7.783 0.180 RESID 250 (L): N 121.100 121.100 119.936 1.164 RESID 250 (L): C 177.100 177.100 178.101 -1.001 RESID 250 (L): CA 58.810 58.810 57.061 1.749 RESID 250 (L): CB 42.220 42.220 41.471 0.749 RESID 250 (L): H 7.104 7.104 7.802 -0.698 RESID 251 (A): N 117.400 117.400 122.354 -4.954 RESID 251 (A): C 179.500 179.500 178.166 1.334 RESID 251 (A): CA 55.340 55.340 54.662 0.678 RESID 251 (A): CB 17.960 17.960 18.385 -0.425 RESID 251 (A): H 8.141 8.141 8.315 -0.174 RESID 252 (A): N 117.400 117.400 118.560 -1.160 RESID 252 (A): C 179.100 179.100 178.326 0.774 RESID 252 (A): CA 53.990 53.990 52.404 1.586 RESID 252 (A): CB 18.970 18.970 18.948 0.022 RESID 252 (A): H 7.375 7.375 8.410 -1.035 RESID 253 (G): N 100.600 100.600 107.892 -7.292 RESID 253 (G): C 172.700 172.700 174.788 -2.088 RESID 253 (G): CA 45.380 45.380 45.020 0.360 RESID 253 (G): H 7.589 7.589 7.539 0.050 RESID 254 (L): N 124.800 124.800 122.849 1.951 RESID 254 (L): C 175.300 175.300 177.572 -2.272 RESID 254 (L): CA 53.020 53.020 54.874 -1.854 RESID 254 (L): CB 39.090 39.090 42.107 -3.017 RESID 254 (L): H 7.202 7.202 7.797 -0.595 RESID 255 (N): N 113.800 113.800 121.495 -7.695 RESID 255 (N): C 176.600 176.600 176.258 0.342 RESID 255 (N): CA 53.420 53.420 53.985 -0.565 RESID 255 (N): CB 37.600 37.600 38.826 -1.226 RESID 255 (N): H 7.701 7.701 8.838 -1.137 RESID 256 (G): N 109.100 109.100 106.606 2.494 RESID 256 (G): C 172.200 172.200 174.578 -2.378 RESID 256 (G): CA 45.790 45.790 45.334 0.456 RESID 256 (G): H 7.856 7.856 8.553 -0.697 RESID 257 (E): N 120.100 120.100 118.781 1.319 RESID 257 (E): C 176.900 176.900 175.584 1.316 RESID 257 (E): CA 57.880 57.880 56.599 1.281 RESID 257 (E): CB 29.760 29.760 30.582 -0.822 RESID 257 (E): H 8.443 8.443 8.638 -0.195 RESID 258 (S): N 107.500 107.500 113.689 -6.189 RESID 258 (S): C 172.500 172.500 172.434 0.066 RESID 258 (S): CA 58.010 58.010 58.545 -0.535 RESID 258 (S): CB 66.360 66.360 63.787 2.573 RESID 258 (S): H 7.176 7.176 8.013 -0.837 RESID 259 (L): N 124.900 124.900 127.577 -2.677 RESID 259 (L): C 173.900 173.900 176.479 -2.579 RESID 259 (L): CA 53.630 53.630 54.371 -0.741 RESID 259 (L): CB 46.240 46.240 42.386 3.854 RESID 259 (L): H 8.969 8.969 8.040 0.929 RESID 260 (F): N 123.700 123.700 123.029 0.671 RESID 260 (F): C 174.200 174.200 176.029 -1.829 RESID 260 (F): CA 56.460 56.460 54.963 1.497 RESID 260 (F): CB 41.560 41.560 40.468 1.092 RESID 260 (F): H 9.295 9.295 8.145 1.150 RESID 261 (L): N 123.900 123.900 120.141 3.759 RESID 261 (L): C 177.600 177.600 177.076 0.524 RESID 261 (L): CA 54.010 54.010 53.186 0.824 RESID 261 (L): CB 41.470 41.470 45.516 -4.046 RESID 261 (L): H 9.034 9.034 8.175 0.859 RESID 262 (F): N 123.800 123.800 122.374 1.426 RESID 262 (F): C 175.500 175.500 175.650 -0.150 RESID 262 (F): CA 58.850 58.850 56.854 1.996 RESID 262 (F): CB 39.930 39.930 38.481 1.449 RESID 262 (F): H 9.338 9.338 9.085 0.253 RESID 263 (A): N 121.900 121.900 124.089 -2.189 RESID 263 (A): C 175.300 175.300 177.025 -1.725 RESID 263 (A): CA 53.630 53.630 52.653 0.977 RESID 263 (A): CB 19.700 19.700 16.804 2.896 RESID 263 (A): H 8.902 8.902 8.258 0.644 RESID 264 (G): N 104.500 104.500 111.551 -7.051 RESID 264 (G): C 171.100 171.100 172.729 -1.629 RESID 264 (G): CA 45.540 45.540 45.058 0.482 RESID 264 (G): H 6.746 6.746 7.884 -1.138 RESID 265 (D): N 122.300 122.300 122.667 -0.367 RESID 265 (D): C 177.300 177.300 177.261 0.039 RESID 265 (D): CA 51.660 51.660 52.769 -1.109 RESID 265 (D): CB 42.840 42.840 42.260 0.581 RESID 265 (D): H 9.052 9.052 8.121 0.931 RESID 266 (Q): N 118.400 118.400 119.597 -1.197 RESID 266 (Q): C 177.600 177.600 177.456 0.144 RESID 266 (Q): CA 58.620 58.620 59.058 -0.438 RESID 266 (Q): CB 28.490 28.490 28.647 -0.157 RESID 266 (Q): H 8.277 8.277 8.603 -0.326 RESID 267 (K): N 117.700 117.700 118.782 -1.082 RESID 267 (K): C 180.400 180.400 178.082 2.318 RESID 267 (K): CA 59.390 59.390 59.552 -0.162 RESID 267 (K): CB 31.440 31.440 31.785 -0.345 RESID 267 (K): H 7.879 7.879 7.921 -0.042 RESID 268 (D): N 121.600 121.600 119.654 1.946 RESID 268 (D): C 177.400 177.400 178.339 -0.939 RESID 268 (D): CA 57.980 57.980 56.976 1.004 RESID 268 (D): CB 41.550 41.550 40.253 1.297 RESID 268 (D): H 7.640 7.640 8.111 -0.471 RESID 269 (A): N 121.700 121.700 121.475 0.225 RESID 269 (A): C 179.000 179.000 178.426 0.574 RESID 269 (A): CA 55.640 55.640 54.925 0.715 RESID 269 (A): CB 17.490 17.490 18.194 -0.704 RESID 269 (A): H 7.370 7.370 7.622 -0.252 RESID 270 (D): N 118.200 118.200 117.987 0.213 RESID 270 (D): C 179.300 179.300 176.520 2.780 RESID 270 (D): CA 57.570 57.570 56.313 1.257 RESID 270 (D): CB 39.860 39.860 40.243 -0.383 RESID 270 (D): H 8.735 8.735 7.954 0.781 RESID 271 (A): N 122.900 122.900 119.892 3.008 RESID 271 (A): C 180.800 180.800 179.322 1.478 RESID 271 (A): CA 55.040 55.040 53.566 1.474 RESID 271 (A): CB 18.300 18.300 19.316 -1.016 RESID 271 (A): H 7.579 7.579 7.038 0.541 RESID 272 (I): N 0.000 0.000 120.447 -120.447 RESID 272 (I): C 178.300 178.300 176.943 1.357 RESID 272 (I): CA 63.880 63.880 64.660 -0.780 RESID 272 (I): CB 35.710 35.710 38.127 -2.417 RESID 272 (I): H 7.340 7.340 8.406 -1.066 RESID 273 (Y): N 116.300 116.300 116.954 -0.654 RESID 273 (Y): C 177.000 177.000 176.769 0.231 RESID 273 (Y): CA 61.100 61.100 58.309 2.791 RESID 273 (Y): CB 37.770 37.770 35.834 1.936 RESID 273 (Y): H 7.509 7.509 7.288 0.221 RESID 274 (A): N 118.600 118.600 121.839 -3.239 RESID 274 (A): C 177.200 177.200 177.178 0.022 RESID 274 (A): CA 52.030 52.030 53.000 -0.970 RESID 274 (A): CB 19.580 19.580 19.426 0.154 RESID 274 (A): H 7.495 7.495 7.826 -0.331 RESID 275 (N): N 119.900 119.900 118.238 1.662 RESID 275 (N): C 175.700 175.700 174.013 1.687 RESID 275 (N): CA 51.030 51.030 51.366 -0.336 RESID 275 (N): CB 38.590 38.590 37.017 1.573 RESID 275 (N): H 7.200 7.200 7.954 -0.754 RESID 276 (P): C 178.900 178.900 178.499 0.401 RESID 276 (P): CA 65.190 65.190 65.475 -0.285 RESID 276 (P): CB 32.440 32.440 32.038 0.402 RESID 277 (L): N 116.700 116.700 117.400 -0.700 RESID 277 (L): C 178.000 178.000 178.906 -0.906 RESID 277 (L): CA 56.630 56.630 57.551 -0.921 RESID 277 (L): CB 41.720 41.720 41.501 0.219 RESID 277 (L): H 7.777 7.777 7.930 -0.153 RESID 278 (L): N 115.100 115.100 116.572 -1.472 RESID 278 (L): C 176.600 176.600 177.875 -1.275 RESID 278 (L): CA 53.200 53.200 54.945 -1.745 RESID 278 (L): CB 40.960 40.960 41.304 -0.344 RESID 278 (L): H 7.485 7.485 7.677 -0.192 RESID 279 (A): N 118.600 118.600 123.111 -4.511 RESID 279 (A): C 177.700 177.700 177.813 -0.113 RESID 279 (A): CA 55.090 55.090 54.375 0.715 RESID 279 (A): CB 19.710 19.710 18.606 1.104 RESID 279 (A): H 6.665 6.665 7.916 -1.251 RESID 280 (H): N 111.600 111.600 115.281 -3.681 RESID 280 (H): C 175.500 175.500 175.209 0.291 RESID 280 (H): CA 55.360 55.360 56.270 -0.910 RESID 280 (H): CB 29.540 29.540 28.639 0.901 RESID 280 (H): H 8.337 8.337 8.185 0.152 RESID 281 (L): N 124.100 124.100 122.483 1.617 RESID 281 (L): C 176.300 176.300 175.864 0.436 RESID 281 (L): CA 53.330 53.330 52.964 0.366 RESID 281 (L): CB 40.490 40.490 41.959 -1.468 RESID 281 (L): H 7.289 7.289 7.445 -0.156 RESID 282 (P): C 178.200 178.200 178.373 -0.173 RESID 282 (P): CA 66.050 66.050 65.672 0.378 RESID 282 (P): CB 32.150 32.150 31.731 0.419 RESID 283 (A): N 116.000 116.000 119.241 -3.241 RESID 283 (A): C 179.000 179.000 179.833 -0.833 RESID 283 (A): CA 55.630 55.630 55.192 0.438 RESID 283 (A): CB 19.490 19.490 18.183 1.307 RESID 283 (A): H 7.969 7.969 8.426 -0.457 RESID 284 (V): N 115.200 115.200 118.505 -3.305 RESID 284 (V): C 180.000 180.000 178.925 1.075 RESID 284 (V): CA 65.640 65.640 65.888 -0.248 RESID 284 (V): CB 32.560 32.560 30.818 1.742 RESID 284 (V): H 6.557 6.557 7.680 -1.123 RESID 285 (Q): N 121.200 121.200 120.444 0.756 RESID 285 (Q): C 178.000 178.000 177.655 0.345 RESID 285 (Q): CA 59.500 59.500 58.798 0.702 RESID 285 (Q): CB 29.080 29.080 28.608 0.471 RESID 285 (Q): H 8.581 8.581 7.812 0.769 RESID 286 (N): N 112.600 112.600 113.991 -1.391 RESID 286 (N): C 174.500 174.500 173.856 0.644 RESID 286 (N): CA 53.160 53.160 52.719 0.441 RESID 286 (N): CB 38.390 38.390 38.734 -0.344 RESID 286 (N): H 8.117 8.117 8.044 0.073 RESID 287 (K): N 118.500 118.500 115.909 2.591 RESID 287 (K): C 176.100 176.100 176.223 -0.123 RESID 287 (K): CA 57.540 57.540 57.307 0.233 RESID 287 (K): CB 28.570 28.570 29.541 -0.971 RESID 287 (K): H 7.724 7.724 7.694 0.030 RESID 288 (Q): N 119.700 119.700 117.152 2.548 RESID 288 (Q): C 173.700 173.700 174.069 -0.369 RESID 288 (Q): CA 52.970 52.970 54.829 -1.859 RESID 288 (Q): CB 28.640 28.640 28.963 -0.324 RESID 288 (Q): H 8.895 8.895 8.425 0.470 RESID 289 (V): N 119.200 119.200 118.662 0.538 RESID 289 (V): C 175.100 175.100 175.130 -0.030 RESID 289 (V): CA 61.600 61.600 61.129 0.471 RESID 289 (V): CB 32.610 32.610 33.973 -1.363 RESID 289 (V): H 6.246 6.246 6.907 -0.661 RESID 290 (Y): N 125.700 125.700 124.625 1.075 RESID 290 (Y): C 174.100 174.100 174.378 -0.278 RESID 290 (Y): CA 56.830 56.830 56.445 0.385 RESID 290 (Y): CB 40.950 40.950 42.726 -1.776 RESID 290 (Y): H 8.682 8.682 8.988 -0.306 RESID 291 (A): N 126.900 126.900 122.017 4.883 RESID 291 (A): C 178.300 178.300 176.758 1.542 RESID 291 (A): CA 51.560 51.560 50.385 1.175 RESID 291 (A): CB 19.670 19.670 21.242 -1.572 RESID 291 (A): H 9.057 9.057 8.649 0.408 RESID 292 (L): N 120.800 120.800 119.824 0.976 RESID 292 (L): C 175.500 175.500 176.227 -0.727 RESID 292 (L): CA 54.880 54.880 54.239 0.641 RESID 292 (L): CB 42.490 42.490 42.273 0.217 RESID 292 (L): H 8.342 8.342 8.923 -0.581 RESID 293 (G): N 107.500 107.500 103.854 3.646 RESID 293 (G): C 177.600 177.600 174.103 3.497 RESID 293 (G): CA 45.110 45.110 44.422 0.688 RESID 293 (G): H 7.973 7.973 7.384 0.589 RESID 294 (T): N 117.800 117.800 116.771 1.029 RESID 294 (T): C 176.400 176.400 176.028 0.372 RESID 294 (T): CA 65.260 65.260 65.273 -0.013 RESID 294 (T): CB 68.310 68.310 69.160 -0.850 RESID 294 (T): H 8.808 8.808 8.574 0.234 RESID 295 (E): N 122.100 122.100 119.903 2.197 RESID 295 (E): C 177.700 177.700 176.621 1.079 RESID 295 (E): CA 58.540 58.540 58.349 0.191 RESID 295 (E): CB 29.010 29.010 28.768 0.242 RESID 295 (E): H 10.380 10.380 8.846 1.534 RESID 296 (T): N 103.000 103.000 108.661 -5.661 RESID 296 (T): C 173.600 173.600 174.364 -0.764 RESID 296 (T): CA 62.320 62.320 61.324 0.996 RESID 296 (T): CB 69.170 69.170 67.821 1.349 RESID 296 (T): H 7.062 7.062 7.919 -0.857 RESID 297 (F): N 121.500 121.500 122.972 -1.472 RESID 297 (F): C 174.500 174.500 175.880 -1.380 RESID 297 (F): CA 61.700 61.700 61.000 0.700 RESID 297 (F): CB 39.640 39.640 39.754 -0.114 RESID 297 (F): H 8.108 8.108 7.631 0.477 RESID 298 (R): N 116.800 116.800 119.770 -2.970 RESID 298 (R): C 176.000 176.000 175.117 0.883 RESID 298 (R): CA 54.160 54.160 55.807 -1.647 RESID 298 (R): CB 32.460 32.460 31.115 1.345 RESID 298 (R): H 7.552 7.552 8.251 -0.699 RESID 299 (L): N 125.500 125.500 126.516 -1.016 RESID 299 (L): C 174.800 174.800 174.430 0.370 RESID 299 (L): CA 54.300 54.300 53.928 0.372 RESID 299 (L): CB 41.670 41.670 44.115 -2.445 RESID 299 (L): H 8.903 8.903 8.452 0.451 RESID 300 (D): N 124.600 124.600 123.972 0.628 RESID 300 (D): C 173.400 173.400 175.478 -2.078 RESID 300 (D): CA 51.880 51.880 53.098 -1.218 RESID 300 (D): CB 43.230 43.230 42.676 0.554 RESID 300 (D): H 7.735 7.735 8.810 -1.075 RESID 301 (Y): N 118.100 118.100 121.075 -2.975 RESID 301 (Y): C 175.300 175.300 176.180 -0.880 RESID 301 (Y): CA 61.650 61.650 63.270 -1.620 RESID 301 (Y): CB 38.740 38.740 38.670 0.070 RESID 301 (Y): H 7.943 7.943 8.947 -1.004 RESID 302 (Y): N 112.300 112.300 115.430 -3.130 RESID 302 (Y): C 180.800 180.800 177.664 3.136 RESID 302 (Y): CA 61.970 61.970 60.868 1.102 RESID 302 (Y): CB 37.990 37.990 38.099 -0.109 RESID 302 (Y): H 7.309 7.309 8.114 -0.805 RESID 303 (S): N 119.100 119.100 115.861 3.239 RESID 303 (S): C 176.300 176.300 176.579 -0.279 RESID 303 (S): CA 60.690 60.690 61.222 -0.532 RESID 303 (S): CB 63.180 63.180 62.095 1.085 RESID 303 (S): H 9.411 9.411 9.426 -0.015 RESID 304 (A): N 126.900 126.900 125.748 1.152 RESID 304 (A): C 180.400 180.400 179.388 1.012 RESID 304 (A): CA 56.000 56.000 54.937 1.063 RESID 304 (A): CB 18.040 18.040 17.854 0.186 RESID 304 (A): H 8.860 8.860 7.814 1.046 RESID 305 (M): N 116.600 116.600 117.973 -1.373 RESID 305 (M): C 179.300 179.300 178.873 0.427 RESID 305 (M): CA 57.880 57.880 59.761 -1.881 RESID 305 (M): CB 31.350 31.350 32.396 -1.046 RESID 305 (M): H 7.346 7.346 7.510 -0.164 RESID 306 (Q): N 119.300 119.300 118.845 0.455 RESID 306 (Q): C 179.000 179.000 178.834 0.166 RESID 306 (Q): CA 59.410 59.410 58.885 0.525 RESID 306 (Q): CB 28.450 28.450 28.827 -0.377 RESID 306 (Q): H 7.633 7.633 7.788 -0.155 RESID 308 (L): C 178.700 178.700 178.490 0.210 RESID 308 (L): CA 58.690 58.690 58.425 0.265 RESID 308 (L): CB 41.790 41.790 41.385 0.405 RESID 309 (D): N 119.100 119.100 119.065 0.035 RESID 309 (D): C 179.600 179.600 178.888 0.712 RESID 309 (D): CA 57.830 57.830 57.551 0.279 RESID 309 (D): CB 40.820 40.820 40.334 0.486 RESID 309 (D): H 7.984 7.984 8.036 -0.052 RESID 310 (R): N 121.700 121.700 120.607 1.093 RESID 310 (R): C 178.900 178.900 178.730 0.170 RESID 310 (R): CA 58.590 58.590 59.188 -0.598 RESID 310 (R): CB 29.820 29.820 30.152 -0.332 RESID 310 (R): H 8.463 8.463 7.600 0.863 RESID 311 (L): N 119.200 119.200 119.923 -0.723 RESID 311 (L): C 178.800 178.800 178.726 0.074 RESID 311 (L): CA 58.380 58.380 58.109 0.271 RESID 311 (L): CB 42.340 42.340 41.842 0.498 RESID 311 (L): H 8.489 8.489 8.328 0.161 RESID 312 (K): N 116.500 116.500 118.740 -2.240 RESID 312 (K): C 178.000 178.000 178.404 -0.404 RESID 312 (K): CA 59.250 59.250 59.180 0.070 RESID 312 (K): CB 32.440 32.440 32.494 -0.054 RESID 312 (K): H 7.955 7.955 8.193 -0.238 RESID 313 (A): N 119.500 119.500 120.742 -1.242 RESID 313 (A): C 180.000 180.000 178.671 1.329 RESID 313 (A): CA 53.920 53.920 53.286 0.634 RESID 313 (A): CB 18.800 18.800 19.247 -0.447 RESID 313 (A): H 7.427 7.427 7.736 -0.309 RESID 314 (L): N 119.500 119.500 119.160 0.340 RESID 314 (L): C 177.400 177.400 176.446 0.954 RESID 314 (L): CA 56.770 56.770 57.230 -0.460 RESID 314 (L): CB 43.730 43.730 42.353 1.377 RESID 314 (L): H 7.431 7.431 8.129 -0.698 N HA C CA CB H RESID 26 (W): -3.602 ----- -0.871 0.332 3.247 0.215 RESID 27 (P): ----- ----- 0.006 -0.297 4.949 ----- RESID 28 (R): -3.866 ----- -1.397 0.728 0.756 0.070 RESID 29 (Q): -0.819 ----- 0.593 -1.253 1.423 -0.084 RESID 30 (I): -1.802 ----- 0.631 -0.916 -0.531 1.070 RESID 31 (T): 3.187 ----- 0.741 -1.330 1.050 0.585 RESID 32 (D): 5.680 ----- 1.382 0.832 -0.464 1.401 RESID 33 (S): -4.484 ----- -0.556 0.345 -0.375 -0.221 RESID 34 (R): -2.364 ----- -0.644 -3.647 0.194 0.381 RESID 35 (G): 5.130 ----- -2.253 -0.513 ----- -0.765 RESID 36 (T): 0.130 ----- 0.798 0.036 -0.127 0.590 RESID 37 (H): 0.458 ----- 0.736 -1.318 -2.004 0.356 RESID 38 (T): 4.083 ----- 1.362 2.101 -1.228 1.535 RESID 39 (L): 7.157 ----- 0.094 0.513 -0.883 0.447 RESID 40 (E): -1.633 ----- -0.320 0.307 0.482 0.134 RESID 41 (S): -1.897 ----- -1.490 -0.903 0.608 -0.159 RESID 42 (Q): 3.307 ----- -0.158 -2.008 0.544 -1.262 RESID 43 (P): ----- ----- -0.393 0.776 0.068 ----- RESID 44 (Q): 2.675 ----- -0.645 -1.502 2.910 2.595 RESID 45 (R): 8.218 ----- 0.501 0.063 0.008 2.442 RESID 47 (V): ----- ----- 0.356 -0.270 -0.248 ----- RESID 48 (S): -2.017 ----- 1.911 -1.864 -1.092 -0.645 RESID 49 (T): 4.211 ----- -2.875 0.960 -0.389 -0.354 RESID 50 (S): -0.519 ----- -0.572 -2.078 0.001 -0.105 RESID 51 (V): 4.915 ----- -2.823 -0.340 -0.121 0.173 RESID 52 (T): 0.554 ----- 3.224 0.846 0.265 -0.129 RESID 53 (L): 1.099 ----- 0.426 -0.700 0.826 -0.499 RESID 54 (T): 1.768 ----- -1.746 -0.663 ----- -0.100 RESID 55 (G): -3.705 ----- -0.192 0.301 ----- -1.281 RESID 56 (S): -0.778 ----- -1.150 1.919 1.971 -1.264 RESID 58 (L): ----- ----- 1.785 -0.287 -0.088 ----- RESID 59 (A): -0.739 ----- -0.314 0.740 -0.326 -0.298 RESID 60 (I): ----- ----- -1.549 0.142 0.450 ----- RESID 61 (D): -2.310 ----- 0.245 0.047 -0.028 0.006 RESID 62 (A): -3.168 ----- 2.620 -1.085 -1.719 0.152 RESID 63 (P): ----- ----- -2.154 0.406 -4.887 ----- RESID 64 (V): 3.977 ----- -0.926 -1.444 -0.820 0.433 RESID 65 (I): -4.293 ----- 1.548 -2.992 1.273 0.221 RESID 66 (A): 4.279 ----- -0.078 0.632 1.459 -0.429 RESID 67 (S): -4.998 ----- 2.234 -2.087 -2.434 0.251 RESID 68 (G): 5.666 ----- -1.608 2.079 ----- -1.053 RESID 69 (A): -3.630 ----- 2.723 -1.161 2.087 -0.819 RESID 70 (T): 5.709 ----- -2.714 -3.137 1.019 1.093 RESID 71 (T): -5.137 ----- -0.415 0.046 1.544 -0.808 RESID 72 (P): ----- ----- 0.982 -0.212 0.740 ----- RESID 73 (N): -4.581 ----- -1.622 0.736 -1.452 -0.700 RESID 74 (N): ----- ----- -1.179 4.994 0.341 ----- RESID 75 (R): -6.324 ----- -0.154 1.087 1.061 -0.286 RESID 76 (V): -10.251 ----- 0.046 -2.925 2.033 -0.829 RESID 77 (A): 5.835 ----- -1.074 -1.034 5.121 0.712 RESID 78 (D): 1.767 ----- 2.210 -0.932 0.367 0.429 RESID 79 (D): 0.833 ----- 0.290 1.095 0.878 -0.148 RESID 80 (Q): -4.387 ----- -1.174 -1.498 2.415 -0.176 RESID 81 (G): -0.019 ----- 0.864 0.952 ----- -0.641 RESID 82 (F): 0.626 ----- -0.430 -4.242 -2.635 0.315 RESID 83 (L): ----- ----- 0.968 0.365 -3.480 ----- RESID 84 (R): 0.298 ----- 0.762 3.446 1.646 -0.684 RESID 85 (Q): -2.579 ----- -2.706 0.223 -3.146 1.864 RESID 86 (W): -6.385 ----- -1.850 -5.109 -2.149 -1.946 RESID 87 (S): 3.916 ----- 1.448 0.494 ----- -1.281 RESID 88 (K): -3.903 ----- 0.175 0.465 -0.091 0.960 RESID 89 (V): 6.302 ----- 0.784 0.095 0.509 -0.617 RESID 90 (A): -0.455 ----- 1.051 1.317 1.322 0.645 RESID 91 (K): -0.433 ----- 3.011 0.982 -0.012 -0.281 RESID 92 (E): 5.097 ----- 1.500 2.277 -0.670 0.469 RESID 93 (R): -3.134 ----- 0.336 0.792 -1.535 -0.276 RESID 94 (K): 1.796 ----- 0.682 -0.646 -1.409 -0.699 RESID 95 (L): -1.036 ----- 0.314 0.722 1.041 0.078 RESID 96 (Q): 0.468 ----- -0.961 0.640 0.334 -0.869 RESID 97 (R): 6.475 ----- 0.575 -1.060 1.628 0.503 RESID 98 (L): 3.505 ----- -0.408 2.442 3.318 -0.463 RESID 99 (Y): -2.130 ----- -1.387 -0.808 -1.007 -1.364 RESID 100 (I): -6.226 ----- -0.337 -1.785 3.584 0.104 RESID 101 (G): 0.875 ----- -0.706 2.211 ----- -0.264 RESID 102 (E): 10.896 ----- -0.784 0.471 2.029 0.285 RESID 103 (P): ----- ----- -0.838 -1.392 -0.098 ----- RESID 104 (S): -5.263 ----- 0.179 -3.169 -0.113 -2.564 RESID 105 (A): 0.265 ----- 0.358 0.736 -0.890 0.324 RESID 106 (E): 0.347 ----- 0.435 1.234 -0.472 0.148 RESID 107 (A): -0.492 ----- 0.356 -0.283 0.783 -0.160 RESID 108 (V): -1.976 ----- -0.804 0.965 -0.300 -0.506 RESID 109 (A): -1.444 ----- 1.856 0.612 -0.140 0.128 RESID 110 (A): -0.733 ----- 0.247 -0.252 -0.028 -0.311 RESID 111 (Q): -1.041 ----- -1.064 0.900 -0.173 -0.300 RESID 112 (M): -6.115 ----- 0.063 0.374 -1.438 -0.058 RESID 113 (P): ----- ----- 0.423 0.211 0.372 ----- RESID 114 (D): -2.139 ----- -0.036 -2.087 -1.931 0.614 RESID 115 (L): ----- ----- 0.597 -1.330 ----- ----- RESID 116 (I): -2.735 ----- ----- 0.154 ----- 1.311 RESID 118 (I): ----- ----- -1.040 0.467 1.176 ----- RESID 119 (S): -0.016 ----- 0.563 -0.582 0.674 1.022 RESID 120 (A): 1.490 ----- -0.552 -0.037 1.563 -0.561 RESID 121 (T): -4.114 ----- -0.116 -2.471 1.603 -0.238 RESID 122 (G): -6.615 ----- 3.064 -0.758 ----- 0.161 RESID 123 (G): ----- ----- -0.220 1.033 ----- ----- RESID 124 (D): -2.248 ----- 1.163 -0.604 0.071 0.892 RESID 125 (S): -4.021 ----- 1.729 0.096 0.117 -1.113 RESID 126 (A): 4.808 ----- -1.963 -2.369 -2.232 0.227 RESID 127 (L): -0.023 ----- 0.550 1.463 1.230 -0.798 RESID 128 (A): 3.441 ----- 0.761 0.830 -0.497 1.292 RESID 129 (L): 0.648 ----- -0.870 -1.268 -0.400 0.355 RESID 130 (Y): -0.824 ----- 0.393 1.433 1.048 -1.092 RESID 131 (D): 1.208 ----- -0.158 0.578 0.317 0.908 RESID 132 (Q): -1.122 ----- 0.291 0.141 0.610 -0.182 RESID 133 (L): -0.438 ----- -0.703 0.247 -0.811 -0.355 RESID 134 (S): -3.112 ----- -0.334 0.249 0.751 -0.334 RESID 135 (T): -4.898 ----- -1.315 -2.081 0.661 -0.613 RESID 136 (I): 3.912 ----- 0.227 -0.084 0.303 0.342 RESID 137 (A): 1.867 ----- -1.677 -0.114 -0.157 -0.430 RESID 138 (P): ----- ----- -1.496 1.100 0.066 ----- RESID 139 (T): 2.137 ----- -0.039 -1.524 1.853 -0.161 RESID 140 (L): ----- ----- 0.614 -0.796 0.653 ----- RESID 141 (I): -2.249 ----- 1.012 -0.944 1.029 1.458 RESID 142 (I): 1.898 ----- 0.246 -1.930 -2.456 0.093 RESID 143 (N): 4.899 ----- 0.488 -1.913 0.076 0.730 RESID 144 (Y): -5.815 ----- 1.731 -3.692 -0.183 0.011 RESID 145 (D): 0.865 ----- 1.750 -0.201 3.351 0.443 RESID 146 (D): 3.931 ----- -0.112 -0.372 -1.626 -1.044 RESID 147 (K): -5.680 ----- -0.269 -1.532 -1.844 -0.542 RESID 148 (S): -0.411 ----- -0.398 -0.076 0.721 0.207 RESID 149 (W): 1.719 ----- 2.079 1.304 -0.713 -0.140 RESID 150 (Q): 3.799 ----- 0.096 3.498 -1.114 1.562 RESID 151 (S): 1.113 ----- 0.588 0.571 0.699 0.077 RESID 152 (L): 2.542 ----- 0.545 0.397 0.289 0.056 RESID 153 (L): 0.554 ----- 1.042 1.427 -0.097 0.939 RESID 154 (T): 3.523 ----- 0.304 1.325 0.537 0.137 RESID 155 (Q): 3.505 ----- 1.202 1.374 0.267 0.320 RESID 156 (L): ----- ----- 1.638 0.620 -0.127 ----- RESID 157 (G): 5.783 ----- -0.573 1.786 ----- 1.223 RESID 158 (E): 4.853 ----- 0.669 1.267 0.322 0.018 RESID 160 (T): ----- ----- 2.319 -1.217 2.621 ----- RESID 161 (G): -0.240 ----- 0.459 1.238 ----- -0.882 RESID 162 (H): 4.977 ----- -2.156 -0.480 -3.011 0.672 RESID 163 (E): 1.768 ----- 2.338 1.442 -0.443 1.539 RESID 164 (K): 0.223 ----- -0.093 -0.453 0.309 0.395 RESID 165 (Q): 2.200 ----- 0.672 2.033 -0.267 -0.485 RESID 166 (A): -1.349 ----- -1.424 1.319 0.226 -0.133 RESID 167 (A): -3.024 ----- 1.892 -0.160 -0.310 -1.111 RESID 168 (E): 1.530 ----- 0.471 -0.004 0.451 0.330 RESID 170 (I): ----- ----- 0.004 1.572 1.358 ----- RESID 171 (A): -2.480 ----- 1.360 -0.348 0.147 -0.780 RESID 172 (Q): 2.584 ----- 0.618 0.716 -0.258 0.640 RESID 173 (F): -0.156 ----- -1.006 1.593 0.367 -0.307 RESID 174 (D): 0.909 ----- 1.417 0.546 -0.088 -0.266 RESID 175 (K): 1.096 ----- 1.163 -0.009 0.316 -0.060 RESID 176 (Q): 2.097 ----- 0.768 -0.476 -0.536 0.348 RESID 177 (L): 5.988 ----- -0.278 2.644 -0.159 1.205 RESID 178 (A): -1.038 ----- 1.368 0.199 0.086 -0.540 RESID 179 (A): -0.785 ----- 0.711 0.336 -0.407 0.044 RESID 180 (A): -0.013 ----- 0.102 0.752 -0.264 0.164 RESID 181 (K): 0.100 ----- -0.104 0.609 0.704 0.029 RESID 182 (E): -2.172 ----- -0.143 0.736 1.073 -0.599 RESID 183 (Q): -0.684 ----- 1.019 0.229 0.427 -0.183 RESID 184 (I): 1.949 ----- 0.955 3.256 0.336 0.291 RESID 185 (K): 4.984 ----- 0.272 -0.505 -2.761 0.806 RESID 186 (L): -0.678 ----- -0.148 2.071 0.255 -0.512 RESID 188 (P): ----- ----- -1.455 1.467 0.996 ----- RESID 189 (Q): 0.247 ----- 1.872 -2.393 0.969 -0.165 RESID 190 (P): ----- ----- -0.047 0.362 2.627 ----- RESID 191 (V): -9.008 ----- 0.334 0.214 0.342 0.726 RESID 192 (T): 7.325 ----- 0.209 3.503 0.300 0.138 RESID 193 (A): 9.914 ----- -0.004 -0.559 -0.292 1.611 RESID 194 (I): -2.063 ----- 2.910 -0.458 1.799 0.744 RESID 195 (V): -4.192 ----- 2.137 1.814 0.118 -0.163 RESID 196 (Y): 2.746 ----- 0.562 -0.422 1.062 1.012 RESID 197 (T): 1.508 ----- 0.932 0.114 -3.046 0.439 RESID 198 (A): -0.257 ----- 1.170 1.164 0.078 -0.328 RESID 199 (A): -4.835 ----- -1.012 -0.511 0.412 0.293 RESID 200 (A): -3.825 ----- -0.655 -0.780 1.312 -1.466 RESID 201 (H): 0.359 ----- -0.505 0.377 -0.442 -0.224 RESID 202 (S): -3.941 ----- 0.048 -1.060 -0.121 -0.691 RESID 203 (A): -2.974 ----- -0.389 -0.522 2.307 0.310 RESID 204 (N): 0.038 ----- -0.154 -0.546 -2.078 0.118 RESID 205 (L): 5.474 ----- 0.135 0.860 1.527 1.648 RESID 206 (W): 1.665 ----- 0.650 -0.748 -1.128 0.644 RESID 207 (T): 1.831 ----- 2.822 0.880 -1.833 -0.107 RESID 208 (P): ----- ----- -0.851 0.731 -0.217 ----- RESID 209 (E): -2.754 ----- 0.289 0.056 -0.387 -0.356 RESID 210 (S): 0.730 ----- -1.624 -1.131 2.849 0.225 RESID 211 (A): -2.187 ----- 0.751 0.090 -0.235 -0.149 RESID 212 (Q): 0.559 ----- -0.919 2.434 -0.331 0.014 RESID 213 (G): -0.141 ----- -0.916 0.695 ----- -0.247 RESID 214 (Q): -0.783 ----- 0.612 0.282 0.413 0.417 RESID 215 (M): -1.420 ----- -0.365 0.117 -0.796 -0.318 RESID 216 (L): -3.028 ----- 0.870 0.508 -1.450 -0.461 RESID 217 (E): 1.311 ----- 2.937 1.281 -0.273 0.192 RESID 218 (Q): 5.164 ----- -0.780 0.956 -0.265 0.543 RESID 219 (L): 0.669 ----- -2.244 -1.351 1.455 -0.340 RESID 220 (G): 1.899 ----- 1.779 0.060 ----- -0.395 RESID 221 (F): 0.332 ----- 1.084 1.909 -3.631 0.213 RESID 222 (T): 1.413 ----- 0.430 0.437 1.789 0.220 RESID 223 (L): 1.230 ----- 1.668 1.354 -1.146 1.059 RESID 224 (A): -1.305 ----- 1.538 1.468 -2.179 0.967 RESID 225 (K): 2.247 ----- 0.609 0.023 0.175 0.238 RESID 226 (L): -1.803 ----- -0.109 -0.540 0.476 0.113 RESID 227 (P): ----- ----- -0.271 -0.018 0.169 ----- RESID 228 (A): 0.083 ----- 1.008 0.699 0.008 -0.101 RESID 229 (G): 0.198 ----- -0.992 0.607 ----- 0.464 RESID 230 (L): -1.207 ----- -1.465 0.082 0.968 -0.419 RESID 231 (N): -0.434 ----- -0.611 -2.459 0.964 0.191 RESID 232 (A): 4.940 ----- 0.052 1.394 1.343 0.166 RESID 233 (S): -0.024 ----- -0.474 -1.722 0.942 -0.269 RESID 234 (Q): 1.542 ----- 0.730 0.205 -1.329 0.470 RESID 235 (S): -1.013 ----- 0.215 -0.037 1.627 -0.211 RESID 236 (Q): -4.795 ----- 1.266 1.125 1.629 -0.478 RESID 237 (G): 1.390 ----- 1.136 0.260 ----- 0.808 RESID 238 (K): -0.955 ----- 1.113 0.463 0.548 -0.390 RESID 239 (R): -4.101 ----- ----- 0.186 0.654 -0.348 RESID 240 (H): ----- ----- -1.714 -2.914 -0.308 ----- RESID 241 (D): 0.571 ----- -1.568 -0.476 -0.666 0.665 RESID 242 (I): 0.196 ----- 1.215 -0.321 2.749 -0.325 RESID 243 (I): -1.055 ----- 1.037 -0.288 2.868 0.244 RESID 244 (Q): 0.864 ----- 1.049 1.536 0.001 0.166 RESID 245 (L): 2.026 ----- -0.430 0.691 0.231 0.293 RESID 246 (G): 4.621 ----- -0.119 -0.448 ----- -0.020 RESID 247 (G): -0.136 ----- 1.829 3.167 ----- 0.924 RESID 248 (E): 2.520 ----- 0.802 1.046 0.178 0.447 RESID 249 (N): 0.072 ----- -0.512 -0.066 0.552 0.180 RESID 250 (L): 1.164 ----- -1.001 1.749 0.749 -0.698 RESID 251 (A): -4.954 ----- 1.334 0.678 -0.425 -0.174 RESID 252 (A): -1.160 ----- 0.774 1.586 0.022 -1.035 RESID 253 (G): -7.292 ----- -2.088 0.360 ----- 0.050 RESID 254 (L): 1.951 ----- -2.272 -1.854 -3.017 -0.595 RESID 255 (N): -7.695 ----- 0.342 -0.565 -1.226 -1.137 RESID 256 (G): 2.494 ----- -2.378 0.456 ----- -0.697 RESID 257 (E): 1.319 ----- 1.316 1.281 -0.822 -0.195 RESID 258 (S): -6.189 ----- 0.066 -0.535 2.573 -0.837 RESID 259 (L): -2.677 ----- -2.579 -0.741 3.854 0.929 RESID 260 (F): 0.671 ----- -1.829 1.497 1.092 1.150 RESID 261 (L): 3.759 ----- 0.524 0.824 -4.046 0.859 RESID 262 (F): 1.426 ----- -0.150 1.996 1.449 0.253 RESID 263 (A): -2.189 ----- -1.725 0.977 2.896 0.644 RESID 264 (G): -7.051 ----- -1.629 0.482 ----- -1.138 RESID 265 (D): -0.367 ----- 0.039 -1.109 0.581 0.931 RESID 266 (Q): -1.197 ----- 0.144 -0.438 -0.157 -0.326 RESID 267 (K): -1.082 ----- 2.318 -0.162 -0.345 -0.042 RESID 268 (D): 1.946 ----- -0.939 1.004 1.297 -0.471 RESID 269 (A): 0.225 ----- 0.574 0.715 -0.704 -0.252 RESID 270 (D): 0.213 ----- 2.780 1.257 -0.383 0.781 RESID 271 (A): 3.008 ----- 1.478 1.474 -1.016 0.541 RESID 272 (I): -120.447 ----- 1.357 -0.780 -2.417 -1.066 RESID 273 (Y): -0.654 ----- 0.231 2.791 1.936 0.221 RESID 274 (A): -3.239 ----- 0.022 -0.970 0.154 -0.331 RESID 275 (N): 1.662 ----- 1.687 -0.336 1.573 -0.754 RESID 276 (P): ----- ----- 0.401 -0.285 0.402 ----- RESID 277 (L): -0.700 ----- -0.906 -0.921 0.219 -0.153 RESID 278 (L): -1.472 ----- -1.275 -1.745 -0.344 -0.192 RESID 279 (A): -4.511 ----- -0.113 0.715 1.104 -1.251 RESID 280 (H): -3.681 ----- 0.291 -0.910 0.901 0.152 RESID 281 (L): 1.617 ----- 0.436 0.366 -1.468 -0.156 RESID 282 (P): ----- ----- -0.173 0.378 0.419 ----- RESID 283 (A): -3.241 ----- -0.833 0.438 1.307 -0.457 RESID 284 (V): -3.305 ----- 1.075 -0.248 1.742 -1.123 RESID 285 (Q): 0.756 ----- 0.345 0.702 0.471 0.769 RESID 286 (N): -1.391 ----- 0.644 0.441 -0.344 0.073 RESID 287 (K): 2.591 ----- -0.123 0.233 -0.971 0.030 RESID 288 (Q): 2.548 ----- -0.369 -1.859 -0.324 0.470 RESID 289 (V): 0.538 ----- -0.030 0.471 -1.363 -0.661 RESID 290 (Y): 1.075 ----- -0.278 0.385 -1.776 -0.306 RESID 291 (A): 4.883 ----- 1.542 1.175 -1.572 0.408 RESID 292 (L): 0.976 ----- -0.727 0.641 0.217 -0.581 RESID 293 (G): 3.646 ----- 3.497 0.688 ----- 0.589 RESID 294 (T): 1.029 ----- 0.372 -0.013 -0.850 0.234 RESID 295 (E): 2.197 ----- 1.079 0.191 0.242 1.534 RESID 296 (T): -5.661 ----- -0.764 0.996 1.349 -0.857 RESID 297 (F): -1.472 ----- -1.380 0.700 -0.114 0.477 RESID 298 (R): -2.970 ----- 0.883 -1.647 1.345 -0.699 RESID 299 (L): -1.016 ----- 0.370 0.372 -2.445 0.451 RESID 300 (D): 0.628 ----- -2.078 -1.218 0.554 -1.075 RESID 301 (Y): -2.975 ----- -0.880 -1.620 0.070 -1.004 RESID 302 (Y): -3.130 ----- 3.136 1.102 -0.109 -0.805 RESID 303 (S): 3.239 ----- -0.279 -0.532 1.085 -0.015 RESID 304 (A): 1.152 ----- 1.012 1.063 0.186 1.046 RESID 305 (M): -1.373 ----- 0.427 -1.881 -1.046 -0.164 RESID 306 (Q): 0.455 ----- 0.166 0.525 -0.377 -0.155 RESID 308 (L): ----- ----- 0.210 0.265 0.405 ----- RESID 309 (D): 0.035 ----- 0.712 0.279 0.486 -0.052 RESID 310 (R): 1.093 ----- 0.170 -0.598 -0.332 0.863 RESID 311 (L): -0.723 ----- 0.074 0.271 0.498 0.161 RESID 312 (K): -2.240 ----- -0.404 0.070 -0.054 -0.238 RESID 313 (A): -1.242 ----- 1.329 0.634 -0.447 -0.309 RESID 314 (L): 0.340 ----- 0.954 -0.460 1.377 -0.698 DATA CS_STAT_INFO N RMS: 8.227 ppm Count: 256 Average Difference: 0.471 +/- 8.229 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.225 ppm Count: 281 Average Difference: -0.162 +/- 1.217 ppm DATA CS_STAT_INFO CA RMS: 1.339 ppm Count: 283 Average Difference: -0.099 +/- 1.337 ppm DATA CS_STAT_INFO CB RMS: 1.425 ppm Count: 260 Average Difference: -0.160 +/- 1.419 ppm DATA CS_STAT_INFO HN RMS: 0.716 ppm Count: 256 Average Difference: -0.019 +/- 0.718 ppm ############################################################################ For conformer 25: Atom Original Corrected SPARTA Difference RESID 25 (D): N 120.600 120.600 120.771 -0.171 RESID 25 (D): C 174.400 174.400 175.900 -1.500 RESID 25 (D): CA 55.230 55.230 53.052 2.178 RESID 25 (D): CB 41.340 41.340 41.906 -0.566 RESID 25 (D): H 8.275 8.275 8.210 0.065 RESID 26 (W): N 120.100 120.100 123.561 -3.461 RESID 26 (W): C 174.200 174.200 175.069 -0.869 RESID 26 (W): CA 55.330 55.330 54.977 0.353 RESID 26 (W): CB 31.090 31.090 27.853 3.237 RESID 26 (W): H 7.788 7.788 7.550 0.238 RESID 27 (P): C 175.900 175.900 175.903 -0.003 RESID 27 (P): CA 62.800 62.800 63.089 -0.289 RESID 27 (P): CB 37.260 37.260 32.318 4.942 RESID 28 (R): N 118.000 118.000 121.806 -3.806 RESID 28 (R): C 173.700 173.700 175.101 -1.401 RESID 28 (R): CA 55.160 55.160 54.422 0.738 RESID 28 (R): CB 33.430 33.430 32.672 0.758 RESID 28 (R): H 8.686 8.686 8.622 0.064 RESID 29 (Q): N 120.800 120.800 121.658 -0.858 RESID 29 (Q): C 175.500 175.500 174.906 0.594 RESID 29 (Q): CA 54.780 54.780 56.029 -1.249 RESID 29 (Q): CB 30.700 30.700 29.253 1.447 RESID 29 (Q): H 8.506 8.506 8.588 -0.082 RESID 30 (I): N 124.300 124.300 126.138 -1.838 RESID 30 (I): C 175.700 175.700 175.123 0.577 RESID 30 (I): CA 58.520 58.520 59.444 -0.924 RESID 30 (I): CB 40.680 40.680 41.139 -0.459 RESID 30 (I): H 9.002 9.002 7.914 1.088 RESID 31 (T): N 125.200 125.200 122.017 3.183 RESID 31 (T): C 174.400 174.400 173.671 0.729 RESID 31 (T): CA 62.150 62.150 63.455 -1.305 RESID 31 (T): CB 70.640 70.640 69.591 1.049 RESID 31 (T): H 8.989 8.989 8.404 0.585 RESID 32 (D): N 129.500 129.500 123.890 5.610 RESID 32 (D): C 177.400 177.400 175.986 1.414 RESID 32 (D): CA 52.630 52.630 51.809 0.821 RESID 32 (D): CB 42.950 42.950 43.444 -0.494 RESID 32 (D): H 9.389 9.389 7.984 1.405 RESID 33 (S): N 111.900 111.900 116.317 -4.417 RESID 33 (S): C 175.600 175.600 176.158 -0.558 RESID 33 (S): CA 60.920 60.920 60.527 0.393 RESID 33 (S): CB 63.430 63.430 63.818 -0.388 RESID 33 (S): H 8.075 8.075 8.291 -0.216 RESID 34 (R): N 120.600 120.600 122.987 -2.387 RESID 34 (R): C 176.100 176.100 176.735 -0.635 RESID 34 (R): CA 55.020 55.020 58.685 -3.665 RESID 34 (R): CB 30.850 30.850 30.669 0.181 RESID 34 (R): H 8.433 8.433 7.944 0.489 RESID 35 (G): N 108.900 108.900 103.737 5.163 RESID 35 (G): C 171.200 171.200 173.455 -2.255 RESID 35 (G): CA 45.060 45.060 45.560 -0.500 RESID 35 (G): H 7.837 7.837 8.594 -0.757 RESID 36 (T): N 116.300 116.300 116.174 0.126 RESID 36 (T): C 173.800 173.800 173.010 0.790 RESID 36 (T): CA 62.670 62.670 62.654 0.016 RESID 36 (T): CB 70.000 70.000 70.078 -0.078 RESID 36 (T): H 8.192 8.192 7.608 0.584 RESID 37 (H): N 125.800 125.800 125.327 0.473 RESID 37 (H): C 174.000 174.000 173.274 0.726 RESID 37 (H): CA 54.060 54.060 55.335 -1.275 RESID 37 (H): CB 31.020 31.020 33.022 -2.002 RESID 37 (H): H 8.986 8.986 8.628 0.358 RESID 38 (T): N 121.500 121.500 117.138 4.362 RESID 38 (T): C 174.200 174.200 172.814 1.386 RESID 38 (T): CA 63.190 63.190 61.068 2.122 RESID 38 (T): CB 70.080 70.080 71.318 -1.238 RESID 38 (T): H 9.101 9.101 7.508 1.593 RESID 39 (L): N 129.600 129.600 122.364 7.236 RESID 39 (L): C 176.900 176.900 176.804 0.096 RESID 39 (L): CA 53.990 53.990 53.469 0.521 RESID 39 (L): CB 43.160 43.160 44.093 -0.933 RESID 39 (L): H 9.145 9.145 8.686 0.459 RESID 40 (E): N 124.300 124.300 125.849 -1.549 RESID 40 (E): C 175.600 175.600 175.920 -0.320 RESID 40 (E): CA 59.420 59.420 59.137 0.283 RESID 40 (E): CB 30.710 30.710 30.223 0.487 RESID 40 (E): H 9.164 9.164 9.028 0.136 RESID 41 (S): N 108.300 108.300 110.163 -1.863 RESID 41 (S): C 171.700 171.700 173.189 -1.489 RESID 41 (S): CA 56.270 56.270 57.154 -0.884 RESID 41 (S): CB 65.420 65.420 64.820 0.600 RESID 41 (S): H 7.326 7.326 7.483 -0.157 RESID 42 (Q): N 123.900 123.900 120.577 3.323 RESID 42 (Q): C 174.600 174.600 174.746 -0.146 RESID 42 (Q): CA 53.730 53.730 55.755 -2.025 RESID 42 (Q): CB 28.470 28.470 27.908 0.562 RESID 42 (Q): H 7.339 7.339 8.603 -1.264 RESID 43 (P): C 176.300 176.300 176.658 -0.358 RESID 43 (P): CA 64.080 64.080 63.310 0.770 RESID 43 (P): CB 32.510 32.510 32.405 0.105 RESID 44 (Q): N 125.100 125.100 122.565 2.535 RESID 44 (Q): C 175.400 175.400 175.986 -0.586 RESID 44 (Q): CA 55.780 55.780 57.266 -1.486 RESID 44 (Q): CB 32.660 32.660 29.787 2.873 RESID 44 (Q): H 11.160 11.160 8.540 2.620 RESID 45 (R): N 125.700 125.700 117.408 8.292 RESID 45 (R): C 174.600 174.600 174.114 0.486 RESID 45 (R): CA 55.310 55.310 55.219 0.091 RESID 45 (R): CB 33.070 33.070 33.067 0.003 RESID 45 (R): H 10.010 10.010 7.547 2.463 RESID 47 (V): C 174.700 174.700 174.360 0.340 RESID 47 (V): CA 60.970 60.970 61.237 -0.267 RESID 47 (V): CB 34.140 34.140 34.270 -0.130 RESID 48 (S): N 118.300 118.300 120.173 -1.873 RESID 48 (S): C 175.500 175.500 173.598 1.902 RESID 48 (S): CA 55.700 55.700 57.582 -1.882 RESID 48 (S): CB 64.750 64.750 65.852 -1.102 RESID 48 (S): H 7.852 7.852 8.485 -0.633 RESID 49 (T): N 116.800 116.800 112.666 4.134 RESID 49 (T): C 171.500 171.500 174.477 -2.977 RESID 49 (T): CA 62.400 62.400 61.446 0.954 RESID 49 (T): CB 69.320 69.320 69.684 -0.364 RESID 49 (T): H 8.283 8.283 8.644 -0.361 RESID 50 (S): N 116.200 116.200 116.861 -0.661 RESID 50 (S): C 174.600 174.600 175.244 -0.644 RESID 50 (S): CA 54.640 54.640 57.071 -2.430 RESID 50 (S): CB 64.000 64.000 64.220 -0.220 RESID 50 (S): H 7.627 7.627 7.701 -0.074 RESID 51 (V): N 134.300 134.300 128.947 5.353 RESID 51 (V): C 175.100 175.100 177.884 -2.784 RESID 51 (V): CA 65.620 65.620 65.982 -0.362 RESID 51 (V): CB 31.790 31.790 31.975 -0.185 RESID 51 (V): H 9.218 9.218 9.051 0.167 RESID 52 (T): N 117.000 117.000 116.625 0.375 RESID 52 (T): C 179.700 179.700 176.403 3.297 RESID 52 (T): CA 67.390 67.390 67.001 0.389 RESID 52 (T): CB 69.130 69.130 68.668 0.462 RESID 52 (T): H 7.841 7.841 7.998 -0.157 RESID 53 (L): N 123.400 123.400 121.965 1.435 RESID 53 (L): C 178.700 178.700 178.178 0.522 RESID 53 (L): CA 57.460 57.460 58.220 -0.760 RESID 53 (L): CB 42.610 42.610 41.756 0.854 RESID 53 (L): H 8.092 8.092 8.623 -0.531 RESID 54 (T): N 117.500 117.500 115.723 1.777 RESID 54 (T): C 174.900 174.900 176.637 -1.737 RESID 54 (T): CA 67.070 67.070 67.728 -0.658 RESID 54 (T): H 8.039 8.039 8.135 -0.096 RESID 55 (G): N 105.500 105.500 109.201 -3.701 RESID 55 (G): C 175.600 175.600 175.784 -0.184 RESID 55 (G): CA 47.260 47.260 46.963 0.297 RESID 55 (G): H 6.591 6.591 7.868 -1.277 RESID 56 (S): N 117.000 117.000 117.774 -0.774 RESID 56 (S): C 175.600 175.600 176.762 -1.162 RESID 56 (S): CA 63.400 63.400 61.465 1.935 RESID 56 (S): CB 65.060 65.060 63.091 1.969 RESID 56 (S): H 6.709 6.709 7.950 -1.241 RESID 58 (L): C 181.200 181.200 179.431 1.769 RESID 58 (L): CA 57.480 57.480 57.760 -0.280 RESID 58 (L): CB 40.810 40.810 40.923 -0.113 RESID 59 (A): N 122.100 122.100 122.856 -0.756 RESID 59 (A): C 178.500 178.500 178.768 -0.268 RESID 59 (A): CA 55.540 55.540 54.804 0.736 RESID 59 (A): CB 18.440 18.440 18.746 -0.306 RESID 59 (A): H 7.797 7.797 8.131 -0.334 RESID 60 (I): C 172.700 172.700 174.243 -1.543 RESID 60 (I): CA 60.390 60.390 60.219 0.171 RESID 60 (I): CB 37.930 37.930 37.515 0.415 RESID 61 (D): N 116.200 116.200 118.661 -2.461 RESID 61 (D): C 174.800 174.800 174.558 0.242 RESID 61 (D): CA 55.850 55.850 55.803 0.047 RESID 61 (D): CB 38.930 38.930 38.975 -0.045 RESID 61 (D): H 7.736 7.736 7.750 -0.014 RESID 62 (A): N 118.900 118.900 122.096 -3.196 RESID 62 (A): C 176.800 176.800 174.106 2.694 RESID 62 (A): CA 50.040 50.040 50.864 -0.824 RESID 62 (A): CB 17.940 17.940 19.582 -1.642 RESID 62 (A): H 7.820 7.820 7.711 0.109 RESID 63 (P): C 173.600 173.600 175.717 -2.117 RESID 63 (P): CA 63.250 63.250 62.647 0.603 RESID 63 (P): CB 27.640 27.640 32.337 -4.697 RESID 64 (V): N 123.100 123.100 119.405 3.695 RESID 64 (V): C 174.800 174.800 175.709 -0.909 RESID 64 (V): CA 58.420 58.420 59.893 -1.473 RESID 64 (V): CB 33.300 33.300 34.062 -0.762 RESID 64 (V): H 8.299 8.299 7.864 0.435 RESID 65 (I): N 122.000 122.000 126.414 -4.414 RESID 65 (I): C 177.100 177.100 175.557 1.543 RESID 65 (I): CA 61.010 61.010 64.011 -3.001 RESID 65 (I): CB 39.480 39.480 38.209 1.270 RESID 65 (I): H 8.589 8.589 8.331 0.258 RESID 66 (A): N 120.700 120.700 116.451 4.249 RESID 66 (A): C 175.100 175.100 175.206 -0.106 RESID 66 (A): CA 51.300 51.300 50.644 0.656 RESID 66 (A): CB 22.980 22.980 21.528 1.452 RESID 66 (A): H 7.246 7.246 7.658 -0.412 RESID 67 (S): N 111.700 111.700 116.776 -5.076 RESID 67 (S): C 176.500 176.500 174.242 2.258 RESID 67 (S): CA 55.230 55.230 57.307 -2.077 RESID 67 (S): CB 65.300 65.300 67.722 -2.422 RESID 67 (S): H 8.561 8.561 8.321 0.240 RESID 68 (G): N 112.900 112.900 107.274 5.626 RESID 68 (G): C 171.000 171.000 172.616 -1.616 RESID 68 (G): CA 46.580 46.580 44.547 2.033 RESID 68 (G): H 7.604 7.604 8.653 -1.049 RESID 69 (A): N 122.300 122.300 126.085 -3.785 RESID 69 (A): C 177.900 177.900 175.109 2.791 RESID 69 (A): CA 51.280 51.280 52.491 -1.211 RESID 69 (A): CB 23.440 23.440 21.386 2.054 RESID 69 (A): H 7.402 7.402 8.170 -0.768 RESID 70 (T): N 119.600 119.600 113.377 6.223 RESID 70 (T): C 171.400 171.400 173.731 -2.331 RESID 70 (T): CA 58.150 58.150 60.849 -2.699 RESID 70 (T): CB 70.880 70.880 69.883 0.997 RESID 70 (T): H 9.171 9.171 8.110 1.061 RESID 71 (T): N 116.500 116.500 121.498 -4.998 RESID 71 (T): C 172.500 172.500 172.944 -0.444 RESID 71 (T): CA 61.680 61.680 61.541 0.139 RESID 71 (T): CB 70.490 70.490 68.962 1.528 RESID 71 (T): H 7.663 7.663 8.444 -0.781 RESID 72 (P): C 177.100 177.100 176.125 0.975 RESID 72 (P): CA 63.390 63.390 63.595 -0.205 RESID 72 (P): CB 32.940 32.940 32.203 0.737 RESID 73 (N): N 115.200 115.200 119.748 -4.548 RESID 73 (N): C 174.600 174.600 176.220 -1.620 RESID 73 (N): CA 54.570 54.570 53.833 0.737 RESID 73 (N): CB 37.020 37.020 38.472 -1.452 RESID 73 (N): H 7.990 7.990 8.688 -0.698 RESID 74 (N): C 175.800 175.800 176.996 -1.196 RESID 74 (N): CA 60.660 60.660 55.670 4.990 RESID 74 (N): CB 38.070 38.070 37.726 0.344 RESID 75 (R): N 114.600 114.600 120.942 -6.342 RESID 75 (R): C 177.400 177.400 177.547 -0.147 RESID 75 (R): CA 59.940 59.940 58.867 1.073 RESID 75 (R): CB 31.110 31.110 30.043 1.067 RESID 75 (R): H 8.049 8.049 8.332 -0.283 RESID 76 (V): N 107.100 107.100 117.301 -10.201 RESID 76 (V): C 176.000 176.000 175.952 0.048 RESID 76 (V): CA 61.110 61.110 64.023 -2.913 RESID 76 (V): CB 33.590 33.590 31.540 2.050 RESID 76 (V): H 7.356 7.356 8.179 -0.823 RESID 77 (A): N 126.900 126.900 121.072 5.828 RESID 77 (A): C 176.500 176.500 177.563 -1.063 RESID 77 (A): CA 51.390 51.390 52.410 -1.020 RESID 77 (A): CB 24.260 24.260 19.135 5.125 RESID 77 (A): H 7.873 7.873 7.156 0.717 RESID 78 (D): N 118.700 118.700 116.920 1.780 RESID 78 (D): C 178.100 178.100 175.889 2.211 RESID 78 (D): CA 51.970 51.970 52.904 -0.934 RESID 78 (D): CB 41.360 41.360 40.996 0.364 RESID 78 (D): H 8.607 8.607 8.177 0.430 RESID 79 (D): N 116.600 116.600 115.752 0.848 RESID 79 (D): C 176.400 176.400 176.110 0.290 RESID 79 (D): CA 56.030 56.030 54.962 1.068 RESID 79 (D): CB 40.100 40.100 39.229 0.871 RESID 79 (D): H 8.258 8.258 8.422 -0.164 RESID 80 (Q): N 117.200 117.200 121.554 -4.354 RESID 80 (Q): C 175.700 175.700 176.875 -1.175 RESID 80 (Q): CA 54.970 54.970 56.457 -1.487 RESID 80 (Q): CB 30.840 30.840 28.447 2.393 RESID 80 (Q): H 8.160 8.160 8.340 -0.180 RESID 81 (G): N 105.300 105.300 105.342 -0.042 RESID 81 (G): C 174.200 174.200 173.344 0.856 RESID 81 (G): CA 45.740 45.740 44.788 0.952 RESID 81 (G): H 7.419 7.419 8.065 -0.646 RESID 82 (F): N 121.700 121.700 121.084 0.616 RESID 82 (F): C 175.300 175.300 175.733 -0.433 RESID 82 (F): CA 52.530 52.530 56.784 -4.254 RESID 82 (F): CB 37.430 37.430 40.064 -2.634 RESID 82 (F): H 8.154 8.154 7.851 0.303 RESID 83 (L): C 178.400 178.400 177.421 0.979 RESID 83 (L): CA 55.550 55.550 55.199 0.351 RESID 83 (L): CB 38.480 38.480 41.974 -3.494 RESID 84 (R): N 119.000 119.000 118.649 0.351 RESID 84 (R): C 178.300 178.300 177.521 0.779 RESID 84 (R): CA 60.690 60.690 57.185 3.505 RESID 84 (R): CB 31.530 31.530 29.885 1.645 RESID 84 (R): H 7.746 7.746 8.426 -0.680 RESID 85 (Q): N 116.400 116.400 118.981 -2.581 RESID 85 (Q): C 174.700 174.700 177.377 -2.677 RESID 85 (Q): CA 58.200 58.200 57.991 0.209 RESID 85 (Q): CB 26.140 26.140 29.309 -3.169 RESID 85 (Q): H 9.838 9.838 7.975 1.863 RESID 86 (W): N 115.600 115.600 122.111 -6.511 RESID 86 (W): C 175.900 175.900 177.676 -1.776 RESID 86 (W): CA 55.320 55.320 60.416 -5.096 RESID 86 (W): CB 27.470 27.470 29.534 -2.063 RESID 86 (W): H 6.600 6.600 8.545 -1.945 RESID 87 (S): N 118.500 118.500 114.765 3.735 RESID 87 (S): C 177.300 177.300 175.845 1.455 RESID 87 (S): CA 62.340 62.340 61.766 0.574 RESID 87 (S): H 7.067 7.067 8.347 -1.280 RESID 88 (K): N 118.300 118.300 122.233 -3.933 RESID 88 (K): C 179.000 179.000 178.820 0.180 RESID 88 (K): CA 59.970 59.970 59.499 0.471 RESID 88 (K): CB 32.380 32.380 32.469 -0.089 RESID 88 (K): H 8.615 8.615 7.636 0.979 RESID 89 (V): N 120.600 120.600 114.266 6.334 RESID 89 (V): C 178.100 178.100 177.296 0.804 RESID 89 (V): CA 65.530 65.530 65.444 0.086 RESID 89 (V): CB 32.180 32.180 31.680 0.500 RESID 89 (V): H 7.089 7.089 7.776 -0.687 RESID 90 (A): N 120.700 120.700 121.111 -0.411 RESID 90 (A): C 180.000 180.000 178.916 1.084 RESID 90 (A): CA 55.490 55.490 54.120 1.370 RESID 90 (A): CB 19.130 19.130 17.700 1.430 RESID 90 (A): H 7.979 7.979 7.295 0.684 RESID 91 (K): N 117.600 117.600 118.008 -0.408 RESID 91 (K): C 180.900 180.900 177.870 3.030 RESID 91 (K): CA 59.830 59.830 58.825 1.005 RESID 91 (K): CB 32.700 32.700 32.703 -0.003 RESID 91 (K): H 7.844 7.844 8.103 -0.259 RESID 92 (E): N 122.300 122.300 117.234 5.066 RESID 92 (E): C 178.600 178.600 177.092 1.508 RESID 92 (E): CA 59.590 59.590 57.292 2.298 RESID 92 (E): CB 29.740 29.740 30.402 -0.662 RESID 92 (E): H 8.178 8.178 7.692 0.486 RESID 93 (R): N 115.300 115.300 118.452 -3.152 RESID 93 (R): C 175.000 175.000 174.685 0.315 RESID 93 (R): CA 56.320 56.320 55.526 0.794 RESID 93 (R): CB 29.390 29.390 30.915 -1.525 RESID 93 (R): H 7.776 7.776 8.047 -0.271 RESID 94 (K): N 116.800 116.800 115.015 1.785 RESID 94 (K): C 176.400 176.400 175.735 0.665 RESID 94 (K): CA 56.950 56.950 57.619 -0.669 RESID 94 (K): CB 28.870 28.870 30.313 -1.443 RESID 94 (K): H 7.697 7.697 8.407 -0.710 RESID 95 (L): N 120.600 120.600 121.660 -1.060 RESID 95 (L): C 177.200 177.200 176.900 0.300 RESID 95 (L): CA 56.710 56.710 55.990 0.720 RESID 95 (L): CB 43.480 43.480 42.450 1.030 RESID 95 (L): H 7.708 7.708 7.643 0.065 RESID 96 (Q): N 124.900 124.900 124.470 0.430 RESID 96 (Q): C 175.000 175.000 175.958 -0.958 RESID 96 (Q): CA 55.570 55.570 54.928 0.642 RESID 96 (Q): CB 30.080 30.080 29.758 0.322 RESID 96 (Q): H 7.526 7.526 8.403 -0.877 RESID 97 (R): N 126.000 126.000 119.561 6.439 RESID 97 (R): C 176.800 176.800 176.205 0.595 RESID 97 (R): CA 55.610 55.610 56.631 -1.021 RESID 97 (R): CB 31.840 31.840 30.211 1.629 RESID 97 (R): H 9.039 9.039 8.538 0.501 RESID 98 (L): N 126.500 126.500 123.022 3.478 RESID 98 (L): C 175.400 175.400 175.801 -0.401 RESID 98 (L): CA 56.610 56.610 54.174 2.436 RESID 98 (L): CB 47.140 47.140 43.814 3.326 RESID 98 (L): H 8.247 8.247 8.676 -0.429 RESID 99 (Y): N 110.000 110.000 111.967 -1.967 RESID 99 (Y): C 173.200 173.200 174.583 -1.383 RESID 99 (Y): CA 55.320 55.320 56.158 -0.839 RESID 99 (Y): CB 38.350 38.350 39.336 -0.986 RESID 99 (Y): H 6.465 6.465 7.821 -1.356 RESID 100 (I): N 120.000 120.000 126.177 -6.177 RESID 100 (I): C 176.800 176.800 177.149 -0.349 RESID 100 (I): CA 61.290 61.290 63.120 -1.830 RESID 100 (I): CB 39.980 39.980 36.416 3.564 RESID 100 (I): H 8.725 8.725 8.632 0.093 RESID 101 (G): N 114.800 114.800 113.909 0.891 RESID 101 (G): C 173.400 173.400 174.098 -0.698 RESID 101 (G): CA 47.030 47.030 44.824 2.206 RESID 101 (G): H 8.224 8.224 8.478 -0.254 RESID 102 (E): N 129.600 129.600 118.681 10.919 RESID 102 (E): C 173.700 173.700 174.472 -0.772 RESID 102 (E): CA 54.480 54.480 54.001 0.479 RESID 102 (E): CB 29.790 29.790 27.751 2.039 RESID 102 (E): H 8.294 8.294 8.003 0.291 RESID 103 (P): C 175.400 175.400 176.239 -0.839 RESID 103 (P): CA 62.040 62.040 63.434 -1.394 RESID 103 (P): CB 32.570 32.570 32.667 -0.097 RESID 104 (S): N 111.900 111.900 117.150 -5.250 RESID 104 (S): C 174.800 174.800 174.629 0.171 RESID 104 (S): CA 55.340 55.340 58.518 -3.178 RESID 104 (S): CB 64.330 64.330 64.418 -0.088 RESID 104 (S): H 5.412 5.412 7.979 -2.567 RESID 105 (A): N 130.200 130.200 129.951 0.249 RESID 105 (A): C 179.400 179.400 179.038 0.362 RESID 105 (A): CA 55.070 55.070 54.331 0.739 RESID 105 (A): CB 18.210 18.210 19.104 -0.894 RESID 105 (A): H 9.211 9.211 8.886 0.325 RESID 106 (E): N 119.800 119.800 119.427 0.373 RESID 106 (E): C 179.300 179.300 178.861 0.439 RESID 106 (E): CA 60.270 60.270 59.028 1.242 RESID 106 (E): CB 28.990 28.990 29.465 -0.475 RESID 106 (E): H 8.731 8.731 8.581 0.150 RESID 107 (A): N 121.600 121.600 122.402 -0.802 RESID 107 (A): C 180.100 180.100 179.787 0.313 RESID 107 (A): CA 54.650 54.650 55.089 -0.439 RESID 107 (A): CB 19.220 19.220 18.376 0.844 RESID 107 (A): H 7.682 7.682 7.858 -0.176 RESID 108 (V): N 116.600 116.600 118.262 -1.662 RESID 108 (V): C 177.700 177.700 178.635 -0.935 RESID 108 (V): CA 66.920 66.920 65.766 1.154 RESID 108 (V): CB 31.430 31.430 31.095 0.335 RESID 108 (V): H 7.015 7.015 7.547 -0.532 RESID 109 (A): N 121.400 121.400 123.367 -1.967 RESID 109 (A): C 181.100 181.100 179.297 1.803 RESID 109 (A): CA 55.540 55.540 55.012 0.528 RESID 109 (A): CB 17.900 17.900 18.096 -0.196 RESID 109 (A): H 8.262 8.262 8.202 0.060 RESID 110 (A): N 118.800 118.800 119.555 -0.755 RESID 110 (A): C 178.900 178.900 178.647 0.253 RESID 110 (A): CA 54.300 54.300 54.550 -0.250 RESID 110 (A): CB 18.460 18.460 18.483 -0.023 RESID 110 (A): H 7.607 7.607 7.934 -0.327 RESID 111 (Q): N 113.500 113.500 114.579 -1.079 RESID 111 (Q): C 174.900 174.900 175.967 -1.067 RESID 111 (Q): CA 55.160 55.160 54.267 0.894 RESID 111 (Q): CB 28.450 28.450 28.619 -0.169 RESID 111 (Q): H 7.148 7.148 7.437 -0.289 RESID 112 (M): N 114.700 114.700 120.760 -6.060 RESID 112 (M): C 173.300 173.300 173.232 0.068 RESID 112 (M): CA 55.900 55.900 55.556 0.344 RESID 112 (M): CB 30.300 30.300 31.742 -1.442 RESID 112 (M): H 7.882 7.882 7.947 -0.065 RESID 113 (P): C 176.700 176.700 176.255 0.445 RESID 113 (P): CA 62.820 62.820 62.635 0.185 RESID 113 (P): CB 33.340 33.340 32.898 0.442 RESID 114 (D): N 115.800 115.800 117.990 -2.190 RESID 114 (D): C 175.900 175.900 175.982 -0.082 RESID 114 (D): CA 53.150 53.150 55.251 -2.101 RESID 114 (D): CB 40.990 40.990 42.817 -1.827 RESID 114 (D): H 8.850 8.850 8.233 0.617 RESID 115 (L): C 174.900 174.900 174.281 0.619 RESID 115 (L): CA 52.800 52.800 54.198 -1.398 RESID 116 (I): N 123.500 123.500 126.334 -2.834 RESID 116 (I): CA 60.270 60.270 60.364 -0.094 RESID 116 (I): H 9.340 9.340 8.003 1.337 RESID 118 (I): C 174.400 174.400 175.366 -0.966 RESID 118 (I): CA 60.250 60.250 59.818 0.432 RESID 118 (I): CB 42.610 42.610 41.631 0.979 RESID 119 (S): N 121.600 121.600 121.115 0.485 RESID 119 (S): C 175.700 175.700 175.104 0.596 RESID 119 (S): CA 57.150 57.150 57.740 -0.590 RESID 119 (S): CB 65.280 65.280 64.616 0.664 RESID 119 (S): H 9.575 9.575 8.536 1.039 RESID 120 (A): N 126.000 126.000 124.445 1.555 RESID 120 (A): C 176.900 176.900 177.386 -0.486 RESID 120 (A): CA 54.300 54.300 54.349 -0.049 RESID 120 (A): CB 20.530 20.530 19.008 1.522 RESID 120 (A): H 8.143 8.143 8.651 -0.508 RESID 121 (T): N 106.400 106.400 110.548 -4.148 RESID 121 (T): C 173.000 173.000 173.091 -0.091 RESID 121 (T): CA 59.450 59.450 61.915 -2.465 RESID 121 (T): CB 72.310 72.310 70.715 1.595 RESID 121 (T): H 7.617 7.617 7.833 -0.216 RESID 122 (G): N 104.200 104.200 110.644 -6.444 RESID 122 (G): C 177.200 177.200 174.127 3.073 RESID 122 (G): CA 44.430 44.430 45.201 -0.771 RESID 122 (G): H 7.998 7.998 7.836 0.162 RESID 123 (G): C 174.100 174.100 174.314 -0.214 RESID 123 (G): CA 46.710 46.710 45.664 1.046 RESID 124 (D): N 116.900 116.900 119.326 -2.426 RESID 124 (D): C 176.900 176.900 175.927 0.973 RESID 124 (D): CA 52.320 52.320 52.910 -0.590 RESID 124 (D): CB 40.690 40.690 40.629 0.061 RESID 124 (D): H 8.617 8.617 7.794 0.823 RESID 125 (S): N 115.100 115.100 119.203 -4.103 RESID 125 (S): C 176.900 176.900 175.252 1.648 RESID 125 (S): CA 58.750 58.750 58.686 0.064 RESID 125 (S): CB 64.190 64.190 64.050 0.140 RESID 125 (S): H 7.322 7.322 8.428 -1.106 RESID 126 (A): N 134.900 134.900 130.173 4.727 RESID 126 (A): C 176.700 176.700 178.652 -1.952 RESID 126 (A): CA 51.150 51.150 53.489 -2.339 RESID 126 (A): CB 16.850 16.850 19.087 -2.237 RESID 126 (A): H 8.837 8.837 8.579 0.258 RESID 127 (L): N 121.000 121.000 121.022 -0.022 RESID 127 (L): C 178.900 178.900 178.356 0.544 RESID 127 (L): CA 58.730 58.730 57.267 1.463 RESID 127 (L): CB 42.840 42.840 41.608 1.232 RESID 127 (L): H 7.353 7.353 8.157 -0.804 RESID 128 (A): N 121.600 121.600 118.194 3.406 RESID 128 (A): C 178.900 178.900 178.162 0.738 RESID 128 (A): CA 55.010 55.010 54.198 0.812 RESID 128 (A): CB 18.200 18.200 18.695 -0.495 RESID 128 (A): H 8.918 8.918 7.625 1.293 RESID 129 (L): N 116.800 116.800 116.187 0.613 RESID 129 (L): C 177.000 177.000 177.883 -0.883 RESID 129 (L): CA 53.930 53.930 55.179 -1.249 RESID 129 (L): CB 42.710 42.710 43.093 -0.383 RESID 129 (L): H 7.776 7.776 7.416 0.360 RESID 130 (Y): N 122.000 122.000 122.923 -0.923 RESID 130 (Y): C 177.100 177.100 176.793 0.307 RESID 130 (Y): CA 64.420 64.420 62.907 1.513 RESID 130 (Y): CB 39.470 39.470 38.420 1.050 RESID 130 (Y): H 7.891 7.891 8.991 -1.100 RESID 131 (D): N 119.000 119.000 117.858 1.142 RESID 131 (D): C 178.300 178.300 178.371 -0.071 RESID 131 (D): CA 58.040 58.040 57.425 0.616 RESID 131 (D): CB 39.660 39.660 39.380 0.280 RESID 131 (D): H 9.014 9.014 8.095 0.919 RESID 132 (Q): N 118.900 118.900 119.840 -0.940 RESID 132 (Q): C 179.100 179.100 178.823 0.277 RESID 132 (Q): CA 58.930 58.930 58.716 0.214 RESID 132 (Q): CB 29.320 29.320 28.744 0.576 RESID 132 (Q): H 7.814 7.814 7.945 -0.131 RESID 133 (L): N 119.700 119.700 120.038 -0.338 RESID 133 (L): C 177.900 177.900 178.617 -0.717 RESID 133 (L): CA 57.910 57.910 57.589 0.321 RESID 133 (L): CB 40.980 40.980 41.794 -0.814 RESID 133 (L): H 8.450 8.450 8.921 -0.471 RESID 134 (S): N 111.800 111.800 114.994 -3.194 RESID 134 (S): C 175.500 175.500 175.997 -0.497 RESID 134 (S): CA 61.160 61.160 60.834 0.326 RESID 134 (S): CB 63.450 63.450 62.663 0.786 RESID 134 (S): H 8.128 8.128 8.469 -0.341 RESID 135 (T): N 111.100 111.100 116.331 -5.231 RESID 135 (T): C 175.300 175.300 176.468 -1.168 RESID 135 (T): CA 63.230 63.230 65.271 -2.041 RESID 135 (T): CB 69.670 69.670 69.013 0.657 RESID 135 (T): H 6.953 6.953 7.594 -0.641 RESID 136 (I): N 124.400 124.400 120.436 3.964 RESID 136 (I): C 175.800 175.800 175.541 0.259 RESID 136 (I): CA 63.940 63.940 63.991 -0.051 RESID 136 (I): CB 38.870 38.870 38.522 0.348 RESID 136 (I): H 7.694 7.694 7.279 0.415 RESID 137 (A): N 120.500 120.500 118.544 1.956 RESID 137 (A): C 172.300 172.300 173.916 -1.616 RESID 137 (A): CA 50.470 50.470 50.619 -0.149 RESID 137 (A): CB 19.320 19.320 19.451 -0.131 RESID 137 (A): H 7.540 7.540 8.015 -0.475 RESID 138 (P): C 174.700 174.700 176.162 -1.462 RESID 138 (P): CA 64.700 64.700 63.462 1.238 RESID 138 (P): CB 31.610 31.610 31.872 -0.262 RESID 139 (T): N 122.000 122.000 119.900 2.100 RESID 139 (T): C 173.900 173.900 173.935 -0.035 RESID 139 (T): CA 61.630 61.630 62.939 -1.309 RESID 139 (T): CB 71.540 71.540 69.556 1.984 RESID 139 (T): H 7.990 7.990 7.980 0.010 RESID 140 (L): C 174.900 174.900 174.304 0.596 RESID 140 (L): CA 52.740 52.740 53.532 -0.791 RESID 140 (L): CB 46.680 46.680 45.956 0.724 RESID 141 (I): N 123.500 123.500 125.927 -2.427 RESID 141 (I): C 175.700 175.700 174.580 1.120 RESID 141 (I): CA 60.250 60.250 61.272 -1.022 RESID 141 (I): CB 39.590 39.590 38.454 1.136 RESID 141 (I): H 9.345 9.345 7.915 1.430 RESID 142 (I): N 129.000 129.000 127.111 1.889 RESID 142 (I): C 174.400 174.400 174.210 0.190 RESID 142 (I): CA 57.930 57.930 59.860 -1.930 RESID 142 (I): CB 39.690 39.690 41.993 -2.303 RESID 142 (I): H 9.030 9.030 8.855 0.175 RESID 143 (N): N 129.100 129.100 124.132 4.968 RESID 143 (N): C 174.700 174.700 174.244 0.456 RESID 143 (N): CA 51.390 51.390 53.287 -1.897 RESID 143 (N): CB 39.720 39.720 39.624 0.096 RESID 143 (N): H 9.388 9.388 8.671 0.717 RESID 144 (Y): N 119.900 119.900 125.915 -6.015 RESID 144 (Y): C 176.500 176.500 174.778 1.722 RESID 144 (Y): CA 55.820 55.820 59.494 -3.674 RESID 144 (Y): CB 39.120 39.120 39.292 -0.172 RESID 144 (Y): H 8.491 8.491 8.346 0.145 RESID 145 (D): N 125.200 125.200 124.453 0.747 RESID 145 (D): C 176.800 176.800 175.036 1.764 RESID 145 (D): CA 55.220 55.220 55.431 -0.211 RESID 145 (D): CB 43.120 43.120 39.779 3.341 RESID 145 (D): H 8.800 8.800 8.362 0.438 RESID 146 (D): N 119.100 119.100 115.002 4.098 RESID 146 (D): C 175.200 175.200 175.261 -0.061 RESID 146 (D): CA 53.230 53.230 53.619 -0.389 RESID 146 (D): CB 40.760 40.760 42.456 -1.696 RESID 146 (D): H 7.571 7.571 8.622 -1.051 RESID 147 (K): N 114.100 114.100 119.862 -5.762 RESID 147 (K): C 175.000 175.000 175.273 -0.273 RESID 147 (K): CA 54.070 54.070 55.615 -1.545 RESID 147 (K): CB 33.340 33.340 35.096 -1.756 RESID 147 (K): H 7.018 7.018 7.570 -0.552 RESID 148 (S): N 118.300 118.300 118.791 -0.491 RESID 148 (S): C 175.700 175.700 176.071 -0.371 RESID 148 (S): CA 57.120 57.120 57.170 -0.050 RESID 148 (S): CB 64.970 64.970 64.265 0.705 RESID 148 (S): H 8.709 8.709 8.483 0.226 RESID 149 (W): N 121.700 121.700 119.900 1.800 RESID 149 (W): C 179.300 179.300 177.233 2.067 RESID 149 (W): CA 59.890 59.890 58.547 1.343 RESID 149 (W): CB 27.660 27.660 28.393 -0.733 RESID 149 (W): H 8.779 8.779 8.898 -0.119 RESID 150 (Q): N 124.600 124.600 121.431 3.169 RESID 150 (Q): C 178.100 178.100 177.854 0.246 RESID 150 (Q): CA 61.660 61.660 58.293 3.367 RESID 150 (Q): CB 26.550 26.550 27.725 -1.175 RESID 150 (Q): H 8.369 8.369 6.755 1.614 RESID 151 (S): N 117.500 117.500 116.337 1.163 RESID 151 (S): C 177.500 177.500 176.928 0.572 RESID 151 (S): CA 61.760 61.760 61.121 0.639 RESID 151 (S): CB 63.360 63.360 62.600 0.760 RESID 151 (S): H 7.769 7.769 7.735 0.034 RESID 152 (L): N 125.200 125.200 122.638 2.562 RESID 152 (L): C 178.700 178.700 178.140 0.560 RESID 152 (L): CA 58.320 58.320 57.929 0.391 RESID 152 (L): CB 41.980 41.980 41.682 0.298 RESID 152 (L): H 8.460 8.460 8.376 0.084 RESID 153 (L): N 119.200 119.200 118.630 0.570 RESID 153 (L): C 179.700 179.700 178.660 1.040 RESID 153 (L): CA 58.960 58.960 57.536 1.424 RESID 153 (L): CB 41.270 41.270 41.371 -0.101 RESID 153 (L): H 8.562 8.562 7.623 0.939 RESID 154 (T): N 116.300 116.300 112.785 3.515 RESID 154 (T): C 177.200 177.200 176.897 0.303 RESID 154 (T): CA 67.290 67.290 65.976 1.314 RESID 154 (T): CB 68.640 68.640 68.111 0.529 RESID 154 (T): H 8.004 8.004 7.852 0.152 RESID 155 (Q): N 124.500 124.500 121.019 3.481 RESID 155 (Q): C 179.200 179.200 178.023 1.177 RESID 155 (Q): CA 59.710 59.710 58.349 1.361 RESID 155 (Q): CB 28.620 28.620 28.367 0.253 RESID 155 (Q): H 8.230 8.230 7.928 0.302 RESID 156 (L): C 180.900 180.900 179.265 1.635 RESID 156 (L): CA 57.540 57.540 56.925 0.615 RESID 156 (L): CB 41.710 41.710 41.838 -0.128 RESID 157 (G): N 112.800 112.800 106.978 5.822 RESID 157 (G): C 174.500 174.500 175.058 -0.558 RESID 157 (G): CA 48.300 48.300 46.512 1.788 RESID 157 (G): H 9.216 9.216 8.014 1.202 RESID 158 (E): N 123.500 123.500 118.701 4.799 RESID 158 (E): C 177.800 177.800 177.176 0.624 RESID 158 (E): CA 59.120 59.120 57.893 1.227 RESID 158 (E): CB 29.700 29.700 29.389 0.311 RESID 158 (E): H 7.480 7.480 7.455 0.025 RESID 160 (T): C 178.300 178.300 176.001 2.299 RESID 160 (T): CA 61.930 61.930 63.107 -1.177 RESID 160 (T): CB 71.830 71.830 69.185 2.645 RESID 161 (G): N 113.600 113.600 113.927 -0.327 RESID 161 (G): C 174.600 174.600 174.179 0.421 RESID 161 (G): CA 48.130 48.130 46.873 1.257 RESID 161 (G): H 8.114 8.114 8.995 -0.881 RESID 162 (H): N 121.000 121.000 116.223 4.777 RESID 162 (H): C 174.000 174.000 176.204 -2.204 RESID 162 (H): CA 55.370 55.370 55.915 -0.545 RESID 162 (H): CB 28.280 28.280 31.243 -2.963 RESID 162 (H): H 8.506 8.506 7.836 0.670 RESID 163 (E): N 123.900 123.900 122.116 1.784 RESID 163 (E): C 180.800 180.800 178.474 2.326 RESID 163 (E): CA 61.160 61.160 59.751 1.409 RESID 163 (E): CB 28.720 28.720 29.144 -0.424 RESID 163 (E): H 10.300 10.300 8.758 1.542 RESID 164 (K): N 120.600 120.600 120.359 0.241 RESID 164 (K): C 178.700 178.700 178.792 -0.092 RESID 164 (K): CA 59.590 59.590 60.051 -0.461 RESID 164 (K): CB 32.280 32.280 31.971 0.309 RESID 164 (K): H 8.789 8.789 8.391 0.398 RESID 165 (Q): N 119.500 119.500 117.321 2.179 RESID 165 (Q): C 178.800 178.800 178.136 0.664 RESID 165 (Q): CA 60.870 60.870 58.842 2.028 RESID 165 (Q): CB 28.120 28.120 28.386 -0.266 RESID 165 (Q): H 8.058 8.058 8.538 -0.480 RESID 166 (A): N 121.100 121.100 122.444 -1.344 RESID 166 (A): C 178.000 178.000 179.426 -1.426 RESID 166 (A): CA 56.280 56.280 54.965 1.315 RESID 166 (A): CB 18.300 18.300 18.076 0.224 RESID 166 (A): H 7.873 7.873 8.077 -0.204 RESID 167 (A): N 117.900 117.900 120.937 -3.037 RESID 167 (A): C 181.500 181.500 179.613 1.887 RESID 167 (A): CA 55.100 55.100 55.261 -0.161 RESID 167 (A): CB 17.860 17.860 18.171 -0.311 RESID 167 (A): H 7.642 7.642 8.763 -1.121 RESID 168 (E): N 120.100 120.100 118.565 1.535 RESID 168 (E): C 179.600 179.600 179.131 0.469 RESID 168 (E): CA 59.610 59.610 59.611 -0.001 RESID 168 (E): CB 29.790 29.790 29.339 0.451 RESID 168 (E): H 8.230 8.230 7.908 0.322 RESID 170 (I): C 177.700 177.700 177.698 0.002 RESID 170 (I): CA 66.880 66.880 65.307 1.573 RESID 170 (I): CB 39.310 39.310 37.951 1.359 RESID 171 (A): N 120.700 120.700 123.165 -2.465 RESID 171 (A): C 181.200 181.200 179.840 1.360 RESID 171 (A): CA 55.290 55.290 55.639 -0.349 RESID 171 (A): CB 18.260 18.260 18.111 0.149 RESID 171 (A): H 8.000 8.000 8.777 -0.777 RESID 172 (Q): N 120.600 120.600 118.027 2.573 RESID 172 (Q): C 179.200 179.200 178.582 0.618 RESID 172 (Q): CA 59.210 59.210 58.503 0.707 RESID 172 (Q): CB 28.340 28.340 28.599 -0.259 RESID 172 (Q): H 8.585 8.585 7.947 0.638 RESID 173 (F): N 122.500 122.500 122.625 -0.125 RESID 173 (F): C 176.400 176.400 177.410 -1.010 RESID 173 (F): CA 62.710 62.710 61.116 1.594 RESID 173 (F): CB 39.490 39.490 39.124 0.366 RESID 173 (F): H 8.457 8.457 8.754 -0.297 RESID 174 (D): N 121.000 121.000 120.116 0.884 RESID 174 (D): C 180.300 180.300 178.889 1.411 RESID 174 (D): CA 58.040 58.040 57.502 0.538 RESID 174 (D): CB 40.160 40.160 40.254 -0.094 RESID 174 (D): H 8.771 8.771 9.039 -0.268 RESID 175 (K): N 121.300 121.300 120.207 1.093 RESID 175 (K): C 179.800 179.800 178.633 1.167 RESID 175 (K): CA 59.630 59.630 59.634 -0.004 RESID 175 (K): CB 32.710 32.710 32.397 0.313 RESID 175 (K): H 8.125 8.125 8.195 -0.070 RESID 176 (Q): N 121.600 121.600 119.502 2.098 RESID 176 (Q): C 179.100 179.100 178.335 0.765 RESID 176 (Q): CA 58.460 58.460 58.938 -0.478 RESID 176 (Q): CB 27.990 27.990 28.523 -0.533 RESID 176 (Q): H 8.164 8.164 7.820 0.344 RESID 177 (L): N 125.600 125.600 119.593 6.007 RESID 177 (L): C 178.400 178.400 178.669 -0.269 RESID 177 (L): CA 59.890 59.890 57.239 2.651 RESID 177 (L): CB 41.200 41.200 41.359 -0.160 RESID 177 (L): H 8.944 8.944 7.739 1.205 RESID 178 (A): N 121.500 121.500 122.570 -1.070 RESID 178 (A): C 180.600 180.600 179.232 1.368 RESID 178 (A): CA 55.390 55.390 55.197 0.193 RESID 178 (A): CB 17.970 17.970 17.879 0.091 RESID 178 (A): H 7.690 7.690 8.232 -0.542 RESID 179 (A): N 120.200 120.200 120.962 -0.762 RESID 179 (A): C 180.600 180.600 179.890 0.710 RESID 179 (A): CA 54.860 54.860 54.516 0.344 RESID 179 (A): CB 18.190 18.190 18.599 -0.409 RESID 179 (A): H 7.706 7.706 7.657 0.049 RESID 180 (A): N 121.800 121.800 121.855 -0.055 RESID 180 (A): C 179.200 179.200 179.103 0.097 RESID 180 (A): CA 55.490 55.490 54.741 0.749 RESID 180 (A): CB 17.920 17.920 18.186 -0.266 RESID 180 (A): H 8.171 8.171 7.995 0.176 RESID 181 (K): N 118.100 118.100 117.948 0.152 RESID 181 (K): C 178.000 178.000 178.030 -0.030 RESID 181 (K): CA 59.830 59.830 59.224 0.606 RESID 181 (K): CB 33.340 33.340 32.640 0.700 RESID 181 (K): H 8.342 8.342 8.328 0.014 RESID 182 (E): N 114.400 114.400 116.527 -2.127 RESID 182 (E): C 177.300 177.300 177.456 -0.156 RESID 182 (E): CA 57.870 57.870 57.119 0.751 RESID 182 (E): CB 30.320 30.320 29.251 1.069 RESID 182 (E): H 7.153 7.153 7.738 -0.585 RESID 183 (Q): N 116.700 116.700 117.386 -0.686 RESID 183 (Q): C 177.200 177.200 176.175 1.025 RESID 183 (Q): CA 57.060 57.060 56.825 0.235 RESID 183 (Q): CB 31.550 31.550 31.136 0.414 RESID 183 (Q): H 7.458 7.458 7.642 -0.184 RESID 184 (I): N 117.800 117.800 115.863 1.937 RESID 184 (I): C 175.200 175.200 174.244 0.956 RESID 184 (I): CA 63.000 63.000 59.752 3.248 RESID 184 (I): CB 40.300 40.300 39.959 0.341 RESID 184 (I): H 7.723 7.723 7.432 0.291 RESID 185 (K): N 127.700 127.700 122.990 4.710 RESID 185 (K): C 175.600 175.600 175.627 -0.027 RESID 185 (K): CA 54.550 54.550 55.121 -0.571 RESID 185 (K): CB 31.600 31.600 34.502 -2.902 RESID 185 (K): H 8.743 8.743 7.916 0.827 RESID 186 (L): N 124.700 124.700 125.743 -1.043 RESID 186 (L): C 175.700 175.700 175.906 -0.206 RESID 186 (L): CA 54.240 54.240 51.871 2.369 RESID 186 (L): CB 41.050 41.050 40.670 0.380 RESID 186 (L): H 8.051 8.051 8.477 -0.426 RESID 188 (P): C 174.800 174.800 176.256 -1.456 RESID 188 (P): CA 65.060 65.060 63.590 1.470 RESID 188 (P): CB 32.670 32.670 31.667 1.003 RESID 189 (Q): N 121.300 121.300 121.071 0.229 RESID 189 (Q): C 174.800 174.800 172.922 1.878 RESID 189 (Q): CA 52.330 52.330 54.726 -2.396 RESID 189 (Q): CB 31.350 31.350 30.378 0.972 RESID 189 (Q): H 8.061 8.061 8.227 -0.166 RESID 190 (P): C 175.500 175.500 175.546 -0.046 RESID 190 (P): CA 62.820 62.820 62.454 0.366 RESID 190 (P): CB 35.450 35.450 32.825 2.625 RESID 191 (V): N 112.600 112.600 121.594 -8.994 RESID 191 (V): C 174.300 174.300 173.964 0.336 RESID 191 (V): CA 59.740 59.740 59.522 0.218 RESID 191 (V): CB 35.030 35.030 34.696 0.334 RESID 191 (V): H 9.214 9.214 8.522 0.692 RESID 192 (T): N 120.700 120.700 113.359 7.341 RESID 192 (T): C 172.300 172.300 172.089 0.211 RESID 192 (T): CA 63.030 63.030 59.533 3.497 RESID 192 (T): CB 71.550 71.550 71.249 0.301 RESID 192 (T): H 8.462 8.462 8.318 0.144 RESID 193 (A): N 132.900 132.900 123.012 9.888 RESID 193 (A): C 175.400 175.400 175.401 -0.001 RESID 193 (A): CA 50.570 50.570 51.131 -0.561 RESID 193 (A): CB 21.140 21.140 21.432 -0.292 RESID 193 (A): H 10.170 10.170 8.560 1.610 RESID 194 (I): N 115.400 115.400 117.484 -2.084 RESID 194 (I): C 176.600 176.600 173.691 2.909 RESID 194 (I): CA 59.540 59.540 59.996 -0.456 RESID 194 (I): CB 43.930 43.930 42.123 1.807 RESID 194 (I): H 9.269 9.269 8.515 0.754 RESID 195 (V): N 118.500 118.500 122.745 -4.245 RESID 195 (V): C 176.200 176.200 174.065 2.135 RESID 195 (V): CA 63.190 63.190 61.376 1.814 RESID 195 (V): CB 34.870 34.870 34.712 0.159 RESID 195 (V): H 8.484 8.484 8.652 -0.168 RESID 196 (Y): N 132.200 132.200 129.479 2.721 RESID 196 (Y): C 174.700 174.700 174.147 0.553 RESID 196 (Y): CA 57.000 57.000 57.413 -0.413 RESID 196 (Y): CB 41.250 41.250 40.167 1.083 RESID 196 (Y): H 9.989 9.989 8.979 1.010 RESID 197 (T): N 124.900 124.900 123.394 1.506 RESID 197 (T): C 174.300 174.300 173.365 0.935 RESID 197 (T): CA 60.740 60.740 60.634 0.106 RESID 197 (T): CB 68.560 68.560 71.588 -3.027 RESID 197 (T): H 8.262 8.262 7.833 0.429 RESID 198 (A): N 130.500 130.500 130.829 -0.329 RESID 198 (A): C 180.400 180.400 179.170 1.230 RESID 198 (A): CA 55.510 55.510 54.319 1.191 RESID 198 (A): CB 18.480 18.480 18.392 0.088 RESID 198 (A): H 8.524 8.524 8.851 -0.327 RESID 199 (A): N 118.700 118.700 123.477 -4.777 RESID 199 (A): C 177.700 177.700 178.719 -1.019 RESID 199 (A): CA 54.350 54.350 54.847 -0.497 RESID 199 (A): CB 18.350 18.350 17.973 0.377 RESID 199 (A): H 8.578 8.578 8.274 0.304 RESID 200 (A): N 116.700 116.700 120.537 -3.837 RESID 200 (A): C 176.600 176.600 177.229 -0.629 RESID 200 (A): CA 51.290 51.290 52.068 -0.778 RESID 200 (A): CB 20.180 20.180 18.853 1.327 RESID 200 (A): H 6.638 6.638 8.092 -1.454 RESID 201 (H): N 116.900 116.900 116.488 0.412 RESID 201 (H): C 172.900 172.900 173.396 -0.496 RESID 201 (H): CA 56.710 56.710 56.334 0.376 RESID 201 (H): CB 27.820 27.820 28.254 -0.434 RESID 201 (H): H 7.569 7.569 7.754 -0.185 RESID 202 (S): N 110.500 110.500 114.496 -3.996 RESID 202 (S): C 171.500 171.500 171.455 0.045 RESID 202 (S): CA 56.530 56.530 57.607 -1.077 RESID 202 (S): CB 66.170 66.170 66.302 -0.132 RESID 202 (S): H 7.109 7.109 7.813 -0.704 RESID 203 (A): N 120.900 120.900 123.854 -2.954 RESID 203 (A): C 174.900 174.900 175.275 -0.375 RESID 203 (A): CA 50.890 50.890 51.426 -0.536 RESID 203 (A): CB 24.510 24.510 22.207 2.303 RESID 203 (A): H 8.618 8.618 8.300 0.318 RESID 204 (N): N 118.900 118.900 118.838 0.062 RESID 204 (N): C 173.300 173.300 173.459 -0.159 RESID 204 (N): CA 51.520 51.520 52.068 -0.548 RESID 204 (N): CB 40.080 40.080 42.162 -2.082 RESID 204 (N): H 8.333 8.333 8.220 0.113 RESID 205 (L): N 127.200 127.200 121.716 5.484 RESID 205 (L): C 175.700 175.700 175.575 0.125 RESID 205 (L): CA 54.920 54.920 54.060 0.860 RESID 205 (L): CB 44.180 44.180 42.654 1.526 RESID 205 (L): H 9.265 9.265 7.611 1.654 RESID 206 (W): N 125.300 125.300 123.656 1.644 RESID 206 (W): C 177.100 177.100 176.448 0.652 RESID 206 (W): CA 56.630 56.630 57.383 -0.753 RESID 206 (W): CB 29.690 29.690 30.818 -1.128 RESID 206 (W): H 8.560 8.560 7.921 0.639 RESID 207 (T): N 112.000 112.000 110.244 1.756 RESID 207 (T): C 176.100 176.100 173.285 2.815 RESID 207 (T): CA 60.120 60.120 59.228 0.891 RESID 207 (T): CB 68.540 68.540 70.405 -1.865 RESID 207 (T): H 8.029 8.029 8.138 -0.109 RESID 208 (P): C 176.000 176.000 176.851 -0.851 RESID 208 (P): CA 66.120 66.120 65.387 0.733 RESID 208 (P): CB 31.950 31.950 32.167 -0.217 RESID 209 (E): N 112.300 112.300 115.048 -2.748 RESID 209 (E): C 177.100 177.100 176.806 0.294 RESID 209 (E): CA 57.280 57.280 57.224 0.056 RESID 209 (E): CB 29.760 29.760 30.143 -0.383 RESID 209 (E): H 7.612 7.612 7.972 -0.360 RESID 210 (S): N 115.800 115.800 115.075 0.725 RESID 210 (S): C 173.900 173.900 175.534 -1.634 RESID 210 (S): CA 58.060 58.060 59.137 -1.077 RESID 210 (S): CB 67.320 67.320 64.475 2.845 RESID 210 (S): H 7.654 7.654 7.434 0.220 RESID 211 (A): N 125.200 125.200 127.328 -2.128 RESID 211 (A): C 180.600 180.600 179.854 0.746 RESID 211 (A): CA 55.410 55.410 55.309 0.101 RESID 211 (A): CB 18.530 18.530 18.759 -0.230 RESID 211 (A): H 8.874 8.874 9.022 -0.148 RESID 212 (Q): N 119.200 119.200 118.632 0.568 RESID 212 (Q): C 177.100 177.100 178.015 -0.915 RESID 212 (Q): CA 61.410 61.410 58.969 2.441 RESID 212 (Q): CB 27.090 27.090 27.416 -0.327 RESID 212 (Q): H 8.493 8.493 8.477 0.016 RESID 213 (G): N 107.500 107.500 107.637 -0.137 RESID 213 (G): C 175.400 175.400 176.316 -0.916 RESID 213 (G): CA 47.520 47.520 46.830 0.690 RESID 213 (G): H 8.053 8.053 8.301 -0.248 RESID 214 (Q): N 120.700 120.700 121.455 -0.755 RESID 214 (Q): C 179.000 179.000 178.381 0.619 RESID 214 (Q): CA 59.150 59.150 58.857 0.293 RESID 214 (Q): CB 29.110 29.110 28.693 0.417 RESID 214 (Q): H 8.501 8.501 8.067 0.434 RESID 215 (M): N 119.200 119.200 120.635 -1.435 RESID 215 (M): C 177.800 177.800 178.169 -0.369 RESID 215 (M): CA 59.760 59.760 59.647 0.113 RESID 215 (M): CB 32.050 32.050 32.847 -0.797 RESID 215 (M): H 7.878 7.878 8.170 -0.292 RESID 216 (L): N 115.800 115.800 118.815 -3.015 RESID 216 (L): C 179.900 179.900 179.032 0.868 RESID 216 (L): CA 58.160 58.160 57.650 0.510 RESID 216 (L): CB 40.010 40.010 41.457 -1.447 RESID 216 (L): H 7.517 7.517 7.973 -0.456 RESID 217 (E): N 121.000 121.000 119.674 1.326 RESID 217 (E): C 182.200 182.200 179.250 2.950 RESID 217 (E): CA 60.210 60.210 58.924 1.286 RESID 217 (E): CB 29.150 29.150 29.420 -0.270 RESID 217 (E): H 8.377 8.377 8.166 0.211 RESID 218 (Q): N 122.300 122.300 117.140 5.160 RESID 218 (Q): C 178.100 178.100 178.880 -0.780 RESID 218 (Q): CA 59.220 59.220 58.265 0.955 RESID 218 (Q): CB 28.850 28.850 29.105 -0.254 RESID 218 (Q): H 8.464 8.464 7.918 0.546 RESID 219 (L): N 118.400 118.400 117.753 0.647 RESID 219 (L): C 175.200 175.200 177.437 -2.237 RESID 219 (L): CA 55.880 55.880 57.235 -1.355 RESID 219 (L): CB 44.330 44.330 42.889 1.441 RESID 219 (L): H 7.433 7.433 7.762 -0.329 RESID 220 (G): N 104.600 104.600 102.679 1.921 RESID 220 (G): C 174.700 174.700 172.924 1.776 RESID 220 (G): CA 44.750 44.750 44.687 0.063 RESID 220 (G): H 7.777 7.777 8.166 -0.389 RESID 221 (F): N 119.100 119.100 118.929 0.171 RESID 221 (F): C 175.200 175.200 174.339 0.861 RESID 221 (F): CA 57.900 57.900 55.964 1.936 RESID 221 (F): CB 38.930 38.930 42.789 -3.859 RESID 221 (F): H 8.001 8.001 7.774 0.227 RESID 222 (T): N 117.600 117.600 115.962 1.638 RESID 222 (T): C 173.900 173.900 173.375 0.525 RESID 222 (T): CA 61.790 61.790 61.211 0.579 RESID 222 (T): CB 71.360 71.360 69.805 1.555 RESID 222 (T): H 8.961 8.961 8.561 0.400 RESID 223 (L): N 128.300 128.300 127.086 1.214 RESID 223 (L): C 178.300 178.300 176.629 1.671 RESID 223 (L): CA 54.760 54.760 53.406 1.354 RESID 223 (L): CB 41.600 41.600 42.739 -1.139 RESID 223 (L): H 9.269 9.269 8.209 1.060 RESID 224 (A): N 126.800 126.800 128.098 -1.298 RESID 224 (A): C 177.400 177.400 175.863 1.537 RESID 224 (A): CA 52.460 52.460 50.991 1.469 RESID 224 (A): CB 18.650 18.650 20.827 -2.177 RESID 224 (A): H 9.077 9.077 8.108 0.969 RESID 225 (K): N 123.400 123.400 121.179 2.221 RESID 225 (K): C 176.800 176.800 176.191 0.609 RESID 225 (K): CA 55.600 55.600 55.576 0.024 RESID 225 (K): CB 33.080 33.080 32.897 0.183 RESID 225 (K): H 8.601 8.601 8.364 0.237 RESID 226 (L): N 126.200 126.200 128.012 -1.812 RESID 226 (L): C 175.500 175.500 175.610 -0.110 RESID 226 (L): CA 53.420 53.420 53.962 -0.542 RESID 226 (L): CB 41.720 41.720 41.245 0.476 RESID 226 (L): H 8.634 8.634 8.520 0.114 RESID 227 (P): C 176.800 176.800 177.066 -0.266 RESID 227 (P): CA 62.860 62.860 62.877 -0.017 RESID 227 (P): CB 32.360 32.360 32.192 0.168 RESID 228 (A): N 124.900 124.900 124.805 0.095 RESID 228 (A): C 179.500 179.500 178.491 1.009 RESID 228 (A): CA 54.120 54.120 53.419 0.701 RESID 228 (A): CB 18.710 18.710 18.703 0.007 RESID 228 (A): H 8.412 8.412 8.513 -0.101 RESID 229 (G): N 107.700 107.700 107.506 0.194 RESID 229 (G): C 175.000 175.000 176.006 -1.006 RESID 229 (G): CA 46.040 46.040 45.440 0.601 RESID 229 (G): H 8.565 8.565 8.102 0.463 RESID 230 (L): N 121.100 121.100 122.327 -1.227 RESID 230 (L): C 176.900 176.900 178.361 -1.461 RESID 230 (L): CA 55.620 55.620 55.547 0.073 RESID 230 (L): CB 42.630 42.630 41.663 0.967 RESID 230 (L): H 7.454 7.454 7.880 -0.426 RESID 231 (N): N 119.400 119.400 119.828 -0.428 RESID 231 (N): C 175.300 175.300 175.903 -0.603 RESID 231 (N): CA 53.650 53.650 56.113 -2.463 RESID 231 (N): CB 38.940 38.940 37.974 0.966 RESID 231 (N): H 8.211 8.211 8.028 0.183 RESID 232 (A): N 124.500 124.500 119.552 4.948 RESID 232 (A): C 178.100 178.100 178.041 0.059 RESID 232 (A): CA 53.110 53.110 51.687 1.423 RESID 232 (A): CB 19.340 19.340 18.002 1.338 RESID 232 (A): H 8.103 8.103 7.930 0.173 RESID 233 (S): N 115.200 115.200 115.272 -0.072 RESID 233 (S): C 175.100 175.100 175.581 -0.481 RESID 233 (S): CA 59.280 59.280 61.025 -1.745 RESID 233 (S): CB 64.280 64.280 63.337 0.944 RESID 233 (S): H 8.169 8.169 8.443 -0.274 RESID 234 (Q): N 122.100 122.100 120.569 1.531 RESID 234 (Q): C 176.400 176.400 175.691 0.709 RESID 234 (Q): CA 56.240 56.240 56.057 0.183 RESID 234 (Q): CB 29.490 29.490 30.809 -1.319 RESID 234 (Q): H 8.230 8.230 7.770 0.460 RESID 235 (S): N 117.100 117.100 118.088 -0.988 RESID 235 (S): C 174.900 174.900 174.667 0.233 RESID 235 (S): CA 58.910 58.910 58.915 -0.005 RESID 235 (S): CB 64.510 64.510 62.890 1.620 RESID 235 (S): H 8.229 8.229 8.438 -0.209 RESID 236 (Q): N 122.300 122.300 127.114 -4.814 RESID 236 (Q): C 176.700 176.700 175.438 1.262 RESID 236 (Q): CA 56.610 56.610 55.489 1.121 RESID 236 (Q): CB 29.280 29.280 27.645 1.635 RESID 236 (Q): H 8.372 8.372 8.857 -0.485 RESID 237 (G): N 110.400 110.400 109.024 1.376 RESID 237 (G): C 174.100 174.100 172.964 1.136 RESID 237 (G): CA 45.720 45.720 45.465 0.255 RESID 237 (G): H 8.381 8.381 7.575 0.806 RESID 238 (K): N 120.500 120.500 121.467 -0.967 RESID 238 (K): C 176.600 176.600 175.489 1.111 RESID 238 (K): CA 56.490 56.490 56.017 0.473 RESID 238 (K): CB 33.320 33.320 32.752 0.568 RESID 238 (K): H 7.968 7.968 8.358 -0.390 RESID 239 (R): N 120.900 120.900 124.990 -4.090 RESID 239 (R): CA 56.130 56.130 55.935 0.195 RESID 239 (R): CB 31.560 31.560 30.907 0.653 RESID 239 (R): H 8.159 8.159 8.501 -0.342 RESID 240 (H): C 174.800 174.800 176.523 -1.723 RESID 240 (H): CA 55.740 55.740 58.639 -2.899 RESID 240 (H): CB 29.760 29.760 30.068 -0.308 RESID 241 (D): N 119.800 119.800 119.224 0.576 RESID 241 (D): C 174.700 174.700 176.270 -1.570 RESID 241 (D): CA 55.500 55.500 55.986 -0.486 RESID 241 (D): CB 40.550 40.550 41.218 -0.668 RESID 241 (D): H 9.052 9.052 8.392 0.660 RESID 242 (I): N 115.200 115.200 115.035 0.165 RESID 242 (I): C 175.600 175.600 174.395 1.205 RESID 242 (I): CA 59.090 59.090 59.400 -0.310 RESID 242 (I): CB 43.670 43.670 40.911 2.759 RESID 242 (I): H 7.087 7.087 7.411 -0.324 RESID 243 (I): N 125.100 125.100 126.170 -1.070 RESID 243 (I): C 175.300 175.300 174.270 1.030 RESID 243 (I): CA 60.340 60.340 60.630 -0.290 RESID 243 (I): CB 41.290 41.290 38.401 2.889 RESID 243 (I): H 8.746 8.746 8.519 0.227 RESID 244 (Q): N 128.400 128.400 127.541 0.859 RESID 244 (Q): C 175.300 175.300 174.252 1.048 RESID 244 (Q): CA 56.460 56.460 54.930 1.530 RESID 244 (Q): CB 29.800 29.800 29.783 0.017 RESID 244 (Q): H 8.768 8.768 8.599 0.169 RESID 245 (L): N 125.500 125.500 123.492 2.008 RESID 245 (L): C 176.200 176.200 176.611 -0.411 RESID 245 (L): CA 53.790 53.790 53.107 0.683 RESID 245 (L): CB 45.100 45.100 44.873 0.227 RESID 245 (L): H 8.640 8.640 8.342 0.298 RESID 246 (G): N 109.700 109.700 105.076 4.624 RESID 246 (G): C 174.200 174.200 174.317 -0.117 RESID 246 (G): CA 44.590 44.590 45.043 -0.453 RESID 246 (G): H 8.424 8.424 8.444 -0.020 RESID 247 (G): N 108.500 108.500 108.651 -0.151 RESID 247 (G): C 176.800 176.800 174.980 1.820 RESID 247 (G): CA 47.500 47.500 44.347 3.153 RESID 247 (G): H 8.666 8.666 7.737 0.929 RESID 248 (E): N 123.700 123.700 121.215 2.485 RESID 248 (E): C 177.300 177.300 176.530 0.770 RESID 248 (E): CA 58.560 58.560 57.524 1.036 RESID 248 (E): CB 29.330 29.330 29.216 0.114 RESID 248 (E): H 9.265 9.265 8.815 0.450 RESID 249 (N): N 116.700 116.700 116.517 0.183 RESID 249 (N): C 175.500 175.500 176.013 -0.513 RESID 249 (N): CA 53.490 53.490 53.645 -0.155 RESID 249 (N): CB 39.390 39.390 38.747 0.643 RESID 249 (N): H 7.963 7.963 7.657 0.306 RESID 250 (L): N 121.100 121.100 119.929 1.171 RESID 250 (L): C 177.100 177.100 178.102 -1.002 RESID 250 (L): CA 58.810 58.810 57.062 1.748 RESID 250 (L): CB 42.220 42.220 41.471 0.750 RESID 250 (L): H 7.104 7.104 7.813 -0.709 RESID 251 (A): N 117.400 117.400 122.353 -4.953 RESID 251 (A): C 179.500 179.500 178.170 1.330 RESID 251 (A): CA 55.340 55.340 54.661 0.679 RESID 251 (A): CB 17.960 17.960 18.386 -0.426 RESID 251 (A): H 8.141 8.141 8.311 -0.170 RESID 252 (A): N 117.400 117.400 118.568 -1.168 RESID 252 (A): C 179.100 179.100 178.330 0.770 RESID 252 (A): CA 53.990 53.990 52.403 1.587 RESID 252 (A): CB 18.970 18.970 18.958 0.012 RESID 252 (A): H 7.375 7.375 8.413 -1.038 RESID 253 (G): N 100.600 100.600 107.907 -7.307 RESID 253 (G): C 172.700 172.700 174.797 -2.097 RESID 253 (G): CA 45.380 45.380 45.028 0.352 RESID 253 (G): H 7.589 7.589 7.538 0.051 RESID 254 (L): N 124.800 124.800 122.843 1.957 RESID 254 (L): C 175.300 175.300 177.579 -2.279 RESID 254 (L): CA 53.020 53.020 54.854 -1.834 RESID 254 (L): CB 39.090 39.090 42.109 -3.019 RESID 254 (L): H 7.202 7.202 7.796 -0.594 RESID 255 (N): N 113.800 113.800 121.473 -7.673 RESID 255 (N): C 176.600 176.600 176.252 0.348 RESID 255 (N): CA 53.420 53.420 54.016 -0.596 RESID 255 (N): CB 37.600 37.600 38.822 -1.222 RESID 255 (N): H 7.701 7.701 8.842 -1.141 RESID 256 (G): N 109.100 109.100 106.559 2.541 RESID 256 (G): C 172.200 172.200 174.569 -2.369 RESID 256 (G): CA 45.790 45.790 45.344 0.446 RESID 256 (G): H 7.856 7.856 8.556 -0.700 RESID 257 (E): N 120.100 120.100 118.763 1.337 RESID 257 (E): C 176.900 176.900 175.556 1.344 RESID 257 (E): CA 57.880 57.880 56.555 1.325 RESID 257 (E): CB 29.760 29.760 30.595 -0.835 RESID 257 (E): H 8.443 8.443 8.638 -0.195 RESID 258 (S): N 107.500 107.500 113.720 -6.220 RESID 258 (S): C 172.500 172.500 172.437 0.063 RESID 258 (S): CA 58.010 58.010 58.550 -0.540 RESID 258 (S): CB 66.360 66.360 63.751 2.610 RESID 258 (S): H 7.176 7.176 8.012 -0.836 RESID 259 (L): N 124.900 124.900 127.539 -2.639 RESID 259 (L): C 173.900 173.900 176.493 -2.593 RESID 259 (L): CA 53.630 53.630 54.378 -0.748 RESID 259 (L): CB 46.240 46.240 42.370 3.870 RESID 259 (L): H 8.969 8.969 8.037 0.932 RESID 260 (F): N 123.700 123.700 123.077 0.623 RESID 260 (F): C 174.200 174.200 176.025 -1.825 RESID 260 (F): CA 56.460 56.460 54.984 1.476 RESID 260 (F): CB 41.560 41.560 40.426 1.134 RESID 260 (F): H 9.295 9.295 8.145 1.150 RESID 261 (L): N 123.900 123.900 120.181 3.719 RESID 261 (L): C 177.600 177.600 177.087 0.513 RESID 261 (L): CA 54.010 54.010 53.183 0.827 RESID 261 (L): CB 41.470 41.470 45.513 -4.043 RESID 261 (L): H 9.034 9.034 8.174 0.860 RESID 262 (F): N 123.800 123.800 122.273 1.527 RESID 262 (F): C 175.500 175.500 175.804 -0.304 RESID 262 (F): CA 58.850 58.850 56.948 1.902 RESID 262 (F): CB 39.930 39.930 38.484 1.446 RESID 262 (F): H 9.338 9.338 9.110 0.228 RESID 263 (A): N 121.900 121.900 124.100 -2.200 RESID 263 (A): C 175.300 175.300 177.026 -1.726 RESID 263 (A): CA 53.630 53.630 52.647 0.983 RESID 263 (A): CB 19.700 19.700 16.802 2.897 RESID 263 (A): H 8.902 8.902 8.258 0.644 RESID 264 (G): N 104.500 104.500 111.575 -7.075 RESID 264 (G): C 171.100 171.100 172.728 -1.628 RESID 264 (G): CA 45.540 45.540 45.060 0.480 RESID 264 (G): H 6.746 6.746 7.889 -1.143 RESID 265 (D): N 122.300 122.300 122.671 -0.371 RESID 265 (D): C 177.300 177.300 177.259 0.041 RESID 265 (D): CA 51.660 51.660 52.771 -1.111 RESID 265 (D): CB 42.840 42.840 42.268 0.572 RESID 265 (D): H 9.052 9.052 8.116 0.936 RESID 266 (Q): N 118.400 118.400 119.596 -1.196 RESID 266 (Q): C 177.600 177.600 177.460 0.140 RESID 266 (Q): CA 58.620 58.620 59.061 -0.441 RESID 266 (Q): CB 28.490 28.490 28.647 -0.157 RESID 266 (Q): H 8.277 8.277 8.604 -0.327 RESID 267 (K): N 117.700 117.700 118.776 -1.076 RESID 267 (K): C 180.400 180.400 178.085 2.315 RESID 267 (K): CA 59.390 59.390 59.549 -0.159 RESID 267 (K): CB 31.440 31.440 31.787 -0.347 RESID 267 (K): H 7.879 7.879 7.922 -0.043 RESID 268 (D): N 121.600 121.600 119.652 1.948 RESID 268 (D): C 177.400 177.400 178.339 -0.939 RESID 268 (D): CA 57.980 57.980 56.974 1.006 RESID 268 (D): CB 41.550 41.550 40.252 1.298 RESID 268 (D): H 7.640 7.640 8.115 -0.475 RESID 269 (A): N 121.700 121.700 121.477 0.223 RESID 269 (A): C 179.000 179.000 178.420 0.580 RESID 269 (A): CA 55.640 55.640 54.923 0.717 RESID 269 (A): CB 17.490 17.490 18.191 -0.701 RESID 269 (A): H 7.370 7.370 7.621 -0.251 RESID 270 (D): N 118.200 118.200 117.938 0.262 RESID 270 (D): C 179.300 179.300 176.517 2.783 RESID 270 (D): CA 57.570 57.570 56.314 1.256 RESID 270 (D): CB 39.860 39.860 40.248 -0.388 RESID 270 (D): H 8.735 8.735 7.950 0.785 RESID 271 (A): N 122.900 122.900 119.891 3.009 RESID 271 (A): C 180.800 180.800 179.325 1.475 RESID 271 (A): CA 55.040 55.040 53.573 1.467 RESID 271 (A): CB 18.300 18.300 19.321 -1.021 RESID 271 (A): H 7.579 7.579 7.041 0.538 RESID 272 (I): N 0.000 0.000 120.440 -120.440 RESID 272 (I): C 178.300 178.300 176.950 1.350 RESID 272 (I): CA 63.880 63.880 64.654 -0.774 RESID 272 (I): CB 35.710 35.710 38.127 -2.417 RESID 272 (I): H 7.340 7.340 8.406 -1.066 RESID 273 (Y): N 116.300 116.300 116.995 -0.695 RESID 273 (Y): C 177.000 177.000 176.771 0.229 RESID 273 (Y): CA 61.100 61.100 58.304 2.796 RESID 273 (Y): CB 37.770 37.770 35.836 1.934 RESID 273 (Y): H 7.509 7.509 7.294 0.215 RESID 274 (A): N 118.600 118.600 121.814 -3.214 RESID 274 (A): C 177.200 177.200 177.179 0.021 RESID 274 (A): CA 52.030 52.030 52.996 -0.966 RESID 274 (A): CB 19.580 19.580 19.424 0.156 RESID 274 (A): H 7.495 7.495 7.835 -0.340 RESID 275 (N): N 119.900 119.900 118.251 1.649 RESID 275 (N): C 175.700 175.700 174.015 1.685 RESID 275 (N): CA 51.030 51.030 51.352 -0.322 RESID 275 (N): CB 38.590 38.590 37.024 1.566 RESID 275 (N): H 7.200 7.200 7.957 -0.757 RESID 276 (P): C 178.900 178.900 178.500 0.400 RESID 276 (P): CA 65.190 65.190 65.479 -0.289 RESID 276 (P): CB 32.440 32.440 32.038 0.402 RESID 277 (L): N 116.700 116.700 117.403 -0.703 RESID 277 (L): C 178.000 178.000 178.916 -0.916 RESID 277 (L): CA 56.630 56.630 57.550 -0.920 RESID 277 (L): CB 41.720 41.720 41.506 0.214 RESID 277 (L): H 7.777 7.777 7.927 -0.150 RESID 278 (L): N 115.100 115.100 116.577 -1.477 RESID 278 (L): C 176.600 176.600 177.868 -1.268 RESID 278 (L): CA 53.200 53.200 54.940 -1.740 RESID 278 (L): CB 40.960 40.960 41.295 -0.335 RESID 278 (L): H 7.485 7.485 7.678 -0.194 RESID 279 (A): N 118.600 118.600 123.098 -4.498 RESID 279 (A): C 177.700 177.700 177.805 -0.105 RESID 279 (A): CA 55.090 55.090 54.368 0.722 RESID 279 (A): CB 19.710 19.710 18.604 1.106 RESID 279 (A): H 6.665 6.665 7.917 -1.252 RESID 280 (H): N 111.600 111.600 115.288 -3.688 RESID 280 (H): C 175.500 175.500 175.204 0.296 RESID 280 (H): CA 55.360 55.360 56.272 -0.912 RESID 280 (H): CB 29.540 29.540 28.637 0.903 RESID 280 (H): H 8.337 8.337 8.191 0.146 RESID 281 (L): N 124.100 124.100 122.457 1.643 RESID 281 (L): C 176.300 176.300 175.864 0.436 RESID 281 (L): CA 53.330 53.330 52.947 0.383 RESID 281 (L): CB 40.490 40.490 41.960 -1.470 RESID 281 (L): H 7.289 7.289 7.441 -0.152 RESID 282 (P): C 178.200 178.200 178.374 -0.174 RESID 282 (P): CA 66.050 66.050 65.666 0.384 RESID 282 (P): CB 32.150 32.150 31.731 0.419 RESID 283 (A): N 116.000 116.000 119.288 -3.288 RESID 283 (A): C 179.000 179.000 179.837 -0.837 RESID 283 (A): CA 55.630 55.630 55.192 0.438 RESID 283 (A): CB 19.490 19.490 18.181 1.308 RESID 283 (A): H 7.969 7.969 8.424 -0.455 RESID 284 (V): N 115.200 115.200 118.477 -3.277 RESID 284 (V): C 180.000 180.000 178.929 1.071 RESID 284 (V): CA 65.640 65.640 65.891 -0.251 RESID 284 (V): CB 32.560 32.560 30.820 1.740 RESID 284 (V): H 6.557 6.557 7.678 -1.121 RESID 285 (Q): N 121.200 121.200 120.441 0.759 RESID 285 (Q): C 178.000 178.000 177.657 0.343 RESID 285 (Q): CA 59.500 59.500 58.797 0.703 RESID 285 (Q): CB 29.080 29.080 28.612 0.468 RESID 285 (Q): H 8.581 8.581 7.796 0.785 RESID 286 (N): N 112.600 112.600 113.982 -1.382 RESID 286 (N): C 174.500 174.500 173.856 0.644 RESID 286 (N): CA 53.160 53.160 52.718 0.442 RESID 286 (N): CB 38.390 38.390 38.734 -0.344 RESID 286 (N): H 8.117 8.117 8.059 0.058 RESID 287 (K): N 118.500 118.500 115.951 2.549 RESID 287 (K): C 176.100 176.100 176.219 -0.119 RESID 287 (K): CA 57.540 57.540 57.302 0.238 RESID 287 (K): CB 28.570 28.570 29.563 -0.993 RESID 287 (K): H 7.724 7.724 7.682 0.042 RESID 288 (Q): N 119.700 119.700 117.159 2.541 RESID 288 (Q): C 173.700 173.700 174.074 -0.374 RESID 288 (Q): CA 52.970 52.970 54.821 -1.851 RESID 288 (Q): CB 28.640 28.640 28.922 -0.282 RESID 288 (Q): H 8.895 8.895 8.421 0.474 RESID 289 (V): N 119.200 119.200 118.625 0.575 RESID 289 (V): C 175.100 175.100 175.149 -0.049 RESID 289 (V): CA 61.600 61.600 61.122 0.478 RESID 289 (V): CB 32.610 32.610 34.014 -1.404 RESID 289 (V): H 6.246 6.246 6.911 -0.665 RESID 290 (Y): N 125.700 125.700 124.594 1.106 RESID 290 (Y): C 174.100 174.100 174.408 -0.308 RESID 290 (Y): CA 56.830 56.830 56.478 0.352 RESID 290 (Y): CB 40.950 40.950 42.724 -1.774 RESID 290 (Y): H 8.682 8.682 9.004 -0.322 RESID 291 (A): N 126.900 126.900 122.018 4.882 RESID 291 (A): C 178.300 178.300 176.705 1.595 RESID 291 (A): CA 51.560 51.560 50.400 1.160 RESID 291 (A): CB 19.670 19.670 21.248 -1.578 RESID 291 (A): H 9.057 9.057 8.649 0.408 RESID 292 (L): N 120.800 120.800 119.810 0.990 RESID 292 (L): C 175.500 175.500 176.232 -0.732 RESID 292 (L): CA 54.880 54.880 54.240 0.640 RESID 292 (L): CB 42.490 42.490 42.283 0.207 RESID 292 (L): H 8.342 8.342 8.933 -0.591 RESID 293 (G): N 107.500 107.500 103.853 3.647 RESID 293 (G): C 177.600 177.600 174.104 3.496 RESID 293 (G): CA 45.110 45.110 44.427 0.683 RESID 293 (G): H 7.973 7.973 7.382 0.591 RESID 294 (T): N 117.800 117.800 116.749 1.051 RESID 294 (T): C 176.400 176.400 176.023 0.377 RESID 294 (T): CA 65.260 65.260 65.224 0.036 RESID 294 (T): CB 68.310 68.310 69.160 -0.850 RESID 294 (T): H 8.808 8.808 8.571 0.237 RESID 295 (E): N 122.100 122.100 119.917 2.183 RESID 295 (E): C 177.700 177.700 176.598 1.102 RESID 295 (E): CA 58.540 58.540 58.325 0.215 RESID 295 (E): CB 29.010 29.010 28.776 0.234 RESID 295 (E): H 10.380 10.380 8.845 1.535 RESID 296 (T): N 103.000 103.000 108.628 -5.628 RESID 296 (T): C 173.600 173.600 174.332 -0.732 RESID 296 (T): CA 62.320 62.320 61.272 1.048 RESID 296 (T): CB 69.170 69.170 67.791 1.379 RESID 296 (T): H 7.062 7.062 7.915 -0.853 RESID 297 (F): N 121.500 121.500 122.984 -1.484 RESID 297 (F): C 174.500 174.500 175.871 -1.371 RESID 297 (F): CA 61.700 61.700 61.042 0.658 RESID 297 (F): CB 39.640 39.640 39.769 -0.129 RESID 297 (F): H 8.108 8.108 7.680 0.428 RESID 298 (R): N 116.800 116.800 119.796 -2.996 RESID 298 (R): C 176.000 176.000 175.109 0.891 RESID 298 (R): CA 54.160 54.160 55.813 -1.653 RESID 298 (R): CB 32.460 32.460 31.109 1.351 RESID 298 (R): H 7.552 7.552 8.270 -0.718 RESID 299 (L): N 125.500 125.500 126.424 -0.924 RESID 299 (L): C 174.800 174.800 174.459 0.341 RESID 299 (L): CA 54.300 54.300 53.909 0.391 RESID 299 (L): CB 41.670 41.670 44.156 -2.486 RESID 299 (L): H 8.903 8.903 8.442 0.461 RESID 300 (D): N 124.600 124.600 124.095 0.505 RESID 300 (D): C 173.400 173.400 175.614 -2.214 RESID 300 (D): CA 51.880 51.880 53.316 -1.437 RESID 300 (D): CB 43.230 43.230 42.570 0.660 RESID 300 (D): H 7.735 7.735 8.772 -1.037 RESID 301 (Y): N 118.100 118.100 121.474 -3.374 RESID 301 (Y): C 175.300 175.300 176.190 -0.890 RESID 301 (Y): CA 61.650 61.650 63.316 -1.667 RESID 301 (Y): CB 38.740 38.740 38.701 0.039 RESID 301 (Y): H 7.943 7.943 9.002 -1.059 RESID 302 (Y): N 112.300 112.300 115.541 -3.241 RESID 302 (Y): C 180.800 180.800 177.662 3.138 RESID 302 (Y): CA 61.970 61.970 60.965 1.005 RESID 302 (Y): CB 37.990 37.990 38.003 -0.013 RESID 302 (Y): H 7.309 7.309 8.118 -0.809 RESID 303 (S): N 119.100 119.100 115.639 3.461 RESID 303 (S): C 176.300 176.300 176.506 -0.206 RESID 303 (S): CA 60.690 60.690 61.482 -0.792 RESID 303 (S): CB 63.180 63.180 62.653 0.527 RESID 303 (S): H 9.411 9.411 9.463 -0.052 RESID 304 (A): N 126.900 126.900 124.966 1.934 RESID 304 (A): C 180.400 180.400 179.368 1.032 RESID 304 (A): CA 56.000 56.000 55.300 0.700 RESID 304 (A): CB 18.040 18.040 17.836 0.204 RESID 304 (A): H 8.860 8.860 7.947 0.913 RESID 305 (M): N 116.600 116.600 117.984 -1.384 RESID 305 (M): C 179.300 179.300 178.819 0.481 RESID 305 (M): CA 57.880 57.880 59.529 -1.649 RESID 305 (M): CB 31.350 31.350 32.134 -0.784 RESID 305 (M): H 7.346 7.346 7.609 -0.263 RESID 306 (Q): N 119.300 119.300 118.827 0.473 RESID 306 (Q): C 179.000 179.000 178.837 0.163 RESID 306 (Q): CA 59.410 59.410 58.882 0.528 RESID 306 (Q): CB 28.450 28.450 28.827 -0.377 RESID 306 (Q): H 7.633 7.633 7.764 -0.131 RESID 308 (L): C 178.700 178.700 178.489 0.211 RESID 308 (L): CA 58.690 58.690 58.426 0.264 RESID 308 (L): CB 41.790 41.790 41.383 0.407 RESID 309 (D): N 119.100 119.100 119.061 0.039 RESID 309 (D): C 179.600 179.600 178.886 0.714 RESID 309 (D): CA 57.830 57.830 57.546 0.284 RESID 309 (D): CB 40.820 40.820 40.338 0.482 RESID 309 (D): H 7.984 7.984 8.026 -0.042 RESID 310 (R): N 121.700 121.700 120.611 1.089 RESID 310 (R): C 178.900 178.900 178.730 0.170 RESID 310 (R): CA 58.590 58.590 59.188 -0.598 RESID 310 (R): CB 29.820 29.820 30.155 -0.336 RESID 310 (R): H 8.463 8.463 7.597 0.866 RESID 311 (L): N 119.200 119.200 119.918 -0.718 RESID 311 (L): C 178.800 178.800 178.724 0.076 RESID 311 (L): CA 58.380 58.380 58.113 0.267 RESID 311 (L): CB 42.340 42.340 41.846 0.494 RESID 311 (L): H 8.489 8.489 8.338 0.151 RESID 312 (K): N 116.500 116.500 118.728 -2.228 RESID 312 (K): C 178.000 178.000 178.400 -0.400 RESID 312 (K): CA 59.250 59.250 59.176 0.074 RESID 312 (K): CB 32.440 32.440 32.492 -0.052 RESID 312 (K): H 7.955 7.955 8.196 -0.241 RESID 313 (A): N 119.500 119.500 120.820 -1.320 RESID 313 (A): C 180.000 180.000 178.634 1.366 RESID 313 (A): CA 53.920 53.920 53.290 0.630 RESID 313 (A): CB 18.800 18.800 19.251 -0.451 RESID 313 (A): H 7.427 7.427 7.729 -0.302 RESID 314 (L): N 119.500 119.500 119.165 0.335 RESID 314 (L): C 177.400 177.400 176.457 0.943 RESID 314 (L): CA 56.770 56.770 57.235 -0.465 RESID 314 (L): CB 43.730 43.730 42.355 1.375 RESID 314 (L): H 7.431 7.431 8.124 -0.693 N HA C CA CB H RESID 26 (W): -3.461 ----- -0.869 0.353 3.237 0.238 RESID 27 (P): ----- ----- -0.003 -0.289 4.942 ----- RESID 28 (R): -3.806 ----- -1.401 0.738 0.758 0.064 RESID 29 (Q): -0.858 ----- 0.594 -1.249 1.447 -0.082 RESID 30 (I): -1.838 ----- 0.577 -0.924 -0.459 1.088 RESID 31 (T): 3.183 ----- 0.729 -1.305 1.049 0.585 RESID 32 (D): 5.610 ----- 1.414 0.821 -0.494 1.405 RESID 33 (S): -4.417 ----- -0.558 0.393 -0.388 -0.216 RESID 34 (R): -2.387 ----- -0.635 -3.665 0.181 0.489 RESID 35 (G): 5.163 ----- -2.255 -0.500 ----- -0.757 RESID 36 (T): 0.126 ----- 0.790 0.016 -0.078 0.584 RESID 37 (H): 0.473 ----- 0.726 -1.275 -2.002 0.358 RESID 38 (T): 4.362 ----- 1.386 2.122 -1.238 1.593 RESID 39 (L): 7.236 ----- 0.096 0.521 -0.933 0.459 RESID 40 (E): -1.549 ----- -0.320 0.283 0.487 0.136 RESID 41 (S): -1.863 ----- -1.489 -0.884 0.600 -0.157 RESID 42 (Q): 3.323 ----- -0.146 -2.025 0.562 -1.264 RESID 43 (P): ----- ----- -0.358 0.770 0.105 ----- RESID 44 (Q): 2.535 ----- -0.586 -1.486 2.873 2.620 RESID 45 (R): 8.292 ----- 0.486 0.091 0.003 2.463 RESID 47 (V): ----- ----- 0.340 -0.267 -0.130 ----- RESID 48 (S): -1.873 ----- 1.902 -1.882 -1.102 -0.633 RESID 49 (T): 4.134 ----- -2.977 0.954 -0.364 -0.361 RESID 50 (S): -0.661 ----- -0.644 -2.430 -0.220 -0.074 RESID 51 (V): 5.353 ----- -2.784 -0.362 -0.185 0.167 RESID 52 (T): 0.375 ----- 3.297 0.389 0.462 -0.157 RESID 53 (L): 1.435 ----- 0.522 -0.760 0.854 -0.531 RESID 54 (T): 1.777 ----- -1.737 -0.658 ----- -0.096 RESID 55 (G): -3.701 ----- -0.184 0.297 ----- -1.277 RESID 56 (S): -0.774 ----- -1.162 1.935 1.969 -1.241 RESID 58 (L): ----- ----- 1.769 -0.280 -0.113 ----- RESID 59 (A): -0.756 ----- -0.268 0.736 -0.306 -0.334 RESID 60 (I): ----- ----- -1.543 0.171 0.415 ----- RESID 61 (D): -2.461 ----- 0.242 0.047 -0.045 -0.014 RESID 62 (A): -3.196 ----- 2.694 -0.824 -1.642 0.109 RESID 63 (P): ----- ----- -2.117 0.603 -4.697 ----- RESID 64 (V): 3.695 ----- -0.909 -1.473 -0.762 0.435 RESID 65 (I): -4.414 ----- 1.543 -3.001 1.270 0.258 RESID 66 (A): 4.249 ----- -0.106 0.656 1.452 -0.412 RESID 67 (S): -5.076 ----- 2.258 -2.077 -2.422 0.240 RESID 68 (G): 5.626 ----- -1.616 2.033 ----- -1.049 RESID 69 (A): -3.785 ----- 2.791 -1.211 2.054 -0.768 RESID 70 (T): 6.223 ----- -2.331 -2.699 0.997 1.061 RESID 71 (T): -4.998 ----- -0.444 0.139 1.528 -0.781 RESID 72 (P): ----- ----- 0.975 -0.205 0.737 ----- RESID 73 (N): -4.548 ----- -1.620 0.737 -1.452 -0.698 RESID 74 (N): ----- ----- -1.196 4.990 0.344 ----- RESID 75 (R): -6.342 ----- -0.147 1.073 1.067 -0.283 RESID 76 (V): -10.201 ----- 0.048 -2.913 2.050 -0.823 RESID 77 (A): 5.828 ----- -1.063 -1.020 5.125 0.717 RESID 78 (D): 1.780 ----- 2.211 -0.934 0.364 0.430 RESID 79 (D): 0.848 ----- 0.290 1.068 0.871 -0.164 RESID 80 (Q): -4.354 ----- -1.175 -1.487 2.393 -0.180 RESID 81 (G): -0.042 ----- 0.856 0.952 ----- -0.646 RESID 82 (F): 0.616 ----- -0.433 -4.254 -2.634 0.303 RESID 83 (L): ----- ----- 0.979 0.351 -3.494 ----- RESID 84 (R): 0.351 ----- 0.779 3.505 1.645 -0.680 RESID 85 (Q): -2.581 ----- -2.677 0.209 -3.169 1.863 RESID 86 (W): -6.511 ----- -1.776 -5.096 -2.063 -1.945 RESID 87 (S): 3.735 ----- 1.455 0.574 ----- -1.280 RESID 88 (K): -3.933 ----- 0.180 0.471 -0.089 0.979 RESID 89 (V): 6.334 ----- 0.804 0.086 0.500 -0.687 RESID 90 (A): -0.411 ----- 1.084 1.370 1.430 0.684 RESID 91 (K): -0.408 ----- 3.030 1.005 -0.003 -0.259 RESID 92 (E): 5.066 ----- 1.508 2.298 -0.662 0.486 RESID 93 (R): -3.152 ----- 0.315 0.794 -1.525 -0.271 RESID 94 (K): 1.785 ----- 0.665 -0.669 -1.443 -0.710 RESID 95 (L): -1.060 ----- 0.300 0.720 1.030 0.065 RESID 96 (Q): 0.430 ----- -0.958 0.642 0.322 -0.877 RESID 97 (R): 6.439 ----- 0.595 -1.021 1.629 0.501 RESID 98 (L): 3.478 ----- -0.401 2.436 3.326 -0.429 RESID 99 (Y): -1.967 ----- -1.383 -0.839 -0.986 -1.356 RESID 100 (I): -6.177 ----- -0.349 -1.830 3.564 0.093 RESID 101 (G): 0.891 ----- -0.698 2.206 ----- -0.254 RESID 102 (E): 10.919 ----- -0.772 0.479 2.039 0.291 RESID 103 (P): ----- ----- -0.839 -1.394 -0.097 ----- RESID 104 (S): -5.250 ----- 0.171 -3.178 -0.088 -2.567 RESID 105 (A): 0.249 ----- 0.362 0.739 -0.894 0.325 RESID 106 (E): 0.373 ----- 0.439 1.242 -0.475 0.150 RESID 107 (A): -0.802 ----- 0.313 -0.439 0.844 -0.176 RESID 108 (V): -1.662 ----- -0.935 1.154 0.335 -0.532 RESID 109 (A): -1.967 ----- 1.803 0.528 -0.196 0.060 RESID 110 (A): -0.755 ----- 0.253 -0.250 -0.023 -0.327 RESID 111 (Q): -1.079 ----- -1.067 0.894 -0.169 -0.289 RESID 112 (M): -6.060 ----- 0.068 0.344 -1.442 -0.065 RESID 113 (P): ----- ----- 0.445 0.185 0.442 ----- RESID 114 (D): -2.190 ----- -0.082 -2.101 -1.827 0.617 RESID 115 (L): ----- ----- 0.619 -1.398 ----- ----- RESID 116 (I): -2.834 ----- ----- -0.094 ----- 1.337 RESID 118 (I): ----- ----- -0.966 0.432 0.979 ----- RESID 119 (S): 0.485 ----- 0.596 -0.590 0.664 1.039 RESID 120 (A): 1.555 ----- -0.486 -0.049 1.522 -0.508 RESID 121 (T): -4.148 ----- -0.091 -2.465 1.595 -0.216 RESID 122 (G): -6.444 ----- 3.073 -0.771 ----- 0.162 RESID 123 (G): ----- ----- -0.214 1.046 ----- ----- RESID 124 (D): -2.426 ----- 0.973 -0.590 0.061 0.823 RESID 125 (S): -4.103 ----- 1.648 0.064 0.140 -1.106 RESID 126 (A): 4.727 ----- -1.952 -2.339 -2.237 0.258 RESID 127 (L): -0.022 ----- 0.544 1.463 1.232 -0.804 RESID 128 (A): 3.406 ----- 0.738 0.812 -0.495 1.293 RESID 129 (L): 0.613 ----- -0.883 -1.249 -0.383 0.360 RESID 130 (Y): -0.923 ----- 0.307 1.513 1.050 -1.100 RESID 131 (D): 1.142 ----- -0.071 0.616 0.280 0.919 RESID 132 (Q): -0.940 ----- 0.277 0.214 0.576 -0.131 RESID 133 (L): -0.338 ----- -0.717 0.321 -0.814 -0.471 RESID 134 (S): -3.194 ----- -0.497 0.326 0.786 -0.341 RESID 135 (T): -5.231 ----- -1.168 -2.041 0.657 -0.641 RESID 136 (I): 3.964 ----- 0.259 -0.051 0.348 0.415 RESID 137 (A): 1.956 ----- -1.616 -0.149 -0.131 -0.475 RESID 138 (P): ----- ----- -1.462 1.238 -0.262 ----- RESID 139 (T): 2.100 ----- -0.035 -1.309 1.984 0.010 RESID 140 (L): ----- ----- 0.596 -0.791 0.724 ----- RESID 141 (I): -2.427 ----- 1.120 -1.022 1.136 1.430 RESID 142 (I): 1.889 ----- 0.190 -1.930 -2.303 0.175 RESID 143 (N): 4.968 ----- 0.456 -1.897 0.096 0.717 RESID 144 (Y): -6.015 ----- 1.722 -3.674 -0.172 0.145 RESID 145 (D): 0.747 ----- 1.764 -0.211 3.341 0.438 RESID 146 (D): 4.098 ----- -0.061 -0.389 -1.696 -1.051 RESID 147 (K): -5.762 ----- -0.273 -1.545 -1.756 -0.552 RESID 148 (S): -0.491 ----- -0.371 -0.050 0.705 0.226 RESID 149 (W): 1.800 ----- 2.067 1.343 -0.733 -0.119 RESID 150 (Q): 3.169 ----- 0.246 3.367 -1.175 1.614 RESID 151 (S): 1.163 ----- 0.572 0.639 0.760 0.034 RESID 152 (L): 2.562 ----- 0.560 0.391 0.298 0.084 RESID 153 (L): 0.570 ----- 1.040 1.424 -0.101 0.939 RESID 154 (T): 3.515 ----- 0.303 1.314 0.529 0.152 RESID 155 (Q): 3.481 ----- 1.177 1.361 0.253 0.302 RESID 156 (L): ----- ----- 1.635 0.615 -0.128 ----- RESID 157 (G): 5.822 ----- -0.558 1.788 ----- 1.202 RESID 158 (E): 4.799 ----- 0.624 1.227 0.311 0.025 RESID 160 (T): ----- ----- 2.299 -1.177 2.645 ----- RESID 161 (G): -0.327 ----- 0.421 1.257 ----- -0.881 RESID 162 (H): 4.777 ----- -2.204 -0.545 -2.963 0.670 RESID 163 (E): 1.784 ----- 2.326 1.409 -0.424 1.542 RESID 164 (K): 0.241 ----- -0.092 -0.461 0.309 0.398 RESID 165 (Q): 2.179 ----- 0.664 2.028 -0.266 -0.480 RESID 166 (A): -1.344 ----- -1.426 1.315 0.224 -0.204 RESID 167 (A): -3.037 ----- 1.887 -0.161 -0.311 -1.121 RESID 168 (E): 1.535 ----- 0.469 -0.001 0.451 0.322 RESID 170 (I): ----- ----- 0.002 1.573 1.359 ----- RESID 171 (A): -2.465 ----- 1.360 -0.349 0.149 -0.777 RESID 172 (Q): 2.573 ----- 0.618 0.707 -0.259 0.638 RESID 173 (F): -0.125 ----- -1.010 1.594 0.366 -0.297 RESID 174 (D): 0.884 ----- 1.411 0.538 -0.094 -0.268 RESID 175 (K): 1.093 ----- 1.167 -0.004 0.313 -0.070 RESID 176 (Q): 2.098 ----- 0.765 -0.478 -0.533 0.344 RESID 177 (L): 6.007 ----- -0.269 2.651 -0.160 1.205 RESID 178 (A): -1.070 ----- 1.368 0.193 0.091 -0.542 RESID 179 (A): -0.762 ----- 0.710 0.344 -0.409 0.049 RESID 180 (A): -0.055 ----- 0.097 0.749 -0.266 0.176 RESID 181 (K): 0.152 ----- -0.030 0.606 0.700 0.014 RESID 182 (E): -2.127 ----- -0.156 0.751 1.069 -0.585 RESID 183 (Q): -0.686 ----- 1.025 0.235 0.414 -0.184 RESID 184 (I): 1.937 ----- 0.956 3.248 0.341 0.291 RESID 185 (K): 4.710 ----- -0.027 -0.571 -2.902 0.827 RESID 186 (L): -1.043 ----- -0.206 2.369 0.380 -0.426 RESID 188 (P): ----- ----- -1.456 1.470 1.003 ----- RESID 189 (Q): 0.229 ----- 1.878 -2.396 0.972 -0.166 RESID 190 (P): ----- ----- -0.046 0.366 2.625 ----- RESID 191 (V): -8.994 ----- 0.336 0.218 0.334 0.692 RESID 192 (T): 7.341 ----- 0.211 3.497 0.301 0.144 RESID 193 (A): 9.888 ----- -0.001 -0.561 -0.292 1.610 RESID 194 (I): -2.084 ----- 2.909 -0.456 1.807 0.754 RESID 195 (V): -4.245 ----- 2.135 1.814 0.159 -0.168 RESID 196 (Y): 2.721 ----- 0.553 -0.413 1.083 1.010 RESID 197 (T): 1.506 ----- 0.935 0.106 -3.027 0.429 RESID 198 (A): -0.329 ----- 1.230 1.191 0.088 -0.327 RESID 199 (A): -4.777 ----- -1.019 -0.497 0.377 0.304 RESID 200 (A): -3.837 ----- -0.629 -0.778 1.327 -1.454 RESID 201 (H): 0.412 ----- -0.496 0.376 -0.434 -0.185 RESID 202 (S): -3.996 ----- 0.045 -1.077 -0.132 -0.704 RESID 203 (A): -2.954 ----- -0.375 -0.536 2.303 0.318 RESID 204 (N): 0.062 ----- -0.159 -0.548 -2.082 0.113 RESID 205 (L): 5.484 ----- 0.125 0.860 1.526 1.654 RESID 206 (W): 1.644 ----- 0.652 -0.753 -1.128 0.639 RESID 207 (T): 1.756 ----- 2.815 0.891 -1.865 -0.109 RESID 208 (P): ----- ----- -0.851 0.733 -0.217 ----- RESID 209 (E): -2.748 ----- 0.294 0.056 -0.383 -0.360 RESID 210 (S): 0.725 ----- -1.634 -1.077 2.845 0.220 RESID 211 (A): -2.128 ----- 0.746 0.101 -0.230 -0.148 RESID 212 (Q): 0.568 ----- -0.915 2.441 -0.327 0.016 RESID 213 (G): -0.137 ----- -0.916 0.690 ----- -0.248 RESID 214 (Q): -0.755 ----- 0.619 0.293 0.417 0.434 RESID 215 (M): -1.435 ----- -0.369 0.113 -0.797 -0.292 RESID 216 (L): -3.015 ----- 0.868 0.510 -1.447 -0.456 RESID 217 (E): 1.326 ----- 2.950 1.286 -0.270 0.211 RESID 218 (Q): 5.160 ----- -0.780 0.955 -0.254 0.546 RESID 219 (L): 0.647 ----- -2.237 -1.355 1.441 -0.329 RESID 220 (G): 1.921 ----- 1.776 0.063 ----- -0.389 RESID 221 (F): 0.171 ----- 0.861 1.936 -3.859 0.227 RESID 222 (T): 1.638 ----- 0.525 0.579 1.555 0.400 RESID 223 (L): 1.214 ----- 1.671 1.354 -1.139 1.060 RESID 224 (A): -1.298 ----- 1.537 1.469 -2.177 0.969 RESID 225 (K): 2.221 ----- 0.609 0.024 0.183 0.237 RESID 226 (L): -1.812 ----- -0.110 -0.542 0.476 0.114 RESID 227 (P): ----- ----- -0.266 -0.017 0.168 ----- RESID 228 (A): 0.095 ----- 1.009 0.701 0.007 -0.101 RESID 229 (G): 0.194 ----- -1.006 0.601 ----- 0.463 RESID 230 (L): -1.227 ----- -1.461 0.073 0.967 -0.426 RESID 231 (N): -0.428 ----- -0.603 -2.463 0.966 0.183 RESID 232 (A): 4.948 ----- 0.059 1.423 1.338 0.173 RESID 233 (S): -0.072 ----- -0.481 -1.745 0.944 -0.274 RESID 234 (Q): 1.531 ----- 0.709 0.183 -1.319 0.460 RESID 235 (S): -0.988 ----- 0.233 -0.005 1.620 -0.209 RESID 236 (Q): -4.814 ----- 1.262 1.121 1.635 -0.485 RESID 237 (G): 1.376 ----- 1.136 0.255 ----- 0.806 RESID 238 (K): -0.967 ----- 1.111 0.473 0.568 -0.390 RESID 239 (R): -4.090 ----- ----- 0.195 0.653 -0.342 RESID 240 (H): ----- ----- -1.723 -2.899 -0.308 ----- RESID 241 (D): 0.576 ----- -1.570 -0.486 -0.668 0.660 RESID 242 (I): 0.165 ----- 1.205 -0.310 2.759 -0.324 RESID 243 (I): -1.070 ----- 1.030 -0.290 2.889 0.227 RESID 244 (Q): 0.859 ----- 1.048 1.530 0.017 0.169 RESID 245 (L): 2.008 ----- -0.411 0.683 0.227 0.298 RESID 246 (G): 4.624 ----- -0.117 -0.453 ----- -0.020 RESID 247 (G): -0.151 ----- 1.820 3.153 ----- 0.929 RESID 248 (E): 2.485 ----- 0.770 1.036 0.114 0.450 RESID 249 (N): 0.183 ----- -0.513 -0.155 0.643 0.306 RESID 250 (L): 1.171 ----- -1.002 1.748 0.750 -0.709 RESID 251 (A): -4.953 ----- 1.330 0.679 -0.426 -0.170 RESID 252 (A): -1.168 ----- 0.770 1.587 0.012 -1.038 RESID 253 (G): -7.307 ----- -2.097 0.352 ----- 0.051 RESID 254 (L): 1.957 ----- -2.279 -1.834 -3.019 -0.594 RESID 255 (N): -7.673 ----- 0.348 -0.596 -1.222 -1.141 RESID 256 (G): 2.541 ----- -2.369 0.446 ----- -0.700 RESID 257 (E): 1.337 ----- 1.344 1.325 -0.835 -0.195 RESID 258 (S): -6.220 ----- 0.063 -0.540 2.610 -0.836 RESID 259 (L): -2.639 ----- -2.593 -0.748 3.870 0.932 RESID 260 (F): 0.623 ----- -1.825 1.476 1.134 1.150 RESID 261 (L): 3.719 ----- 0.513 0.827 -4.043 0.860 RESID 262 (F): 1.527 ----- -0.304 1.902 1.446 0.228 RESID 263 (A): -2.200 ----- -1.726 0.983 2.897 0.644 RESID 264 (G): -7.075 ----- -1.628 0.480 ----- -1.143 RESID 265 (D): -0.371 ----- 0.041 -1.111 0.572 0.936 RESID 266 (Q): -1.196 ----- 0.140 -0.441 -0.157 -0.327 RESID 267 (K): -1.076 ----- 2.315 -0.159 -0.347 -0.043 RESID 268 (D): 1.948 ----- -0.939 1.006 1.298 -0.475 RESID 269 (A): 0.223 ----- 0.580 0.717 -0.701 -0.251 RESID 270 (D): 0.262 ----- 2.783 1.256 -0.388 0.785 RESID 271 (A): 3.009 ----- 1.475 1.467 -1.021 0.538 RESID 272 (I): -120.440 ----- 1.350 -0.774 -2.417 -1.066 RESID 273 (Y): -0.695 ----- 0.229 2.796 1.934 0.215 RESID 274 (A): -3.214 ----- 0.021 -0.966 0.156 -0.340 RESID 275 (N): 1.649 ----- 1.685 -0.322 1.566 -0.757 RESID 276 (P): ----- ----- 0.400 -0.289 0.402 ----- RESID 277 (L): -0.703 ----- -0.916 -0.920 0.214 -0.150 RESID 278 (L): -1.477 ----- -1.268 -1.740 -0.335 -0.194 RESID 279 (A): -4.498 ----- -0.105 0.722 1.106 -1.252 RESID 280 (H): -3.688 ----- 0.296 -0.912 0.903 0.146 RESID 281 (L): 1.643 ----- 0.436 0.383 -1.470 -0.152 RESID 282 (P): ----- ----- -0.174 0.384 0.419 ----- RESID 283 (A): -3.288 ----- -0.837 0.438 1.308 -0.455 RESID 284 (V): -3.277 ----- 1.071 -0.251 1.740 -1.121 RESID 285 (Q): 0.759 ----- 0.343 0.703 0.468 0.785 RESID 286 (N): -1.382 ----- 0.644 0.442 -0.344 0.058 RESID 287 (K): 2.549 ----- -0.119 0.238 -0.993 0.042 RESID 288 (Q): 2.541 ----- -0.374 -1.851 -0.282 0.474 RESID 289 (V): 0.575 ----- -0.049 0.478 -1.404 -0.665 RESID 290 (Y): 1.106 ----- -0.308 0.352 -1.774 -0.322 RESID 291 (A): 4.882 ----- 1.595 1.160 -1.578 0.408 RESID 292 (L): 0.990 ----- -0.732 0.640 0.207 -0.591 RESID 293 (G): 3.647 ----- 3.496 0.683 ----- 0.591 RESID 294 (T): 1.051 ----- 0.377 0.036 -0.850 0.237 RESID 295 (E): 2.183 ----- 1.102 0.215 0.234 1.535 RESID 296 (T): -5.628 ----- -0.732 1.048 1.379 -0.853 RESID 297 (F): -1.484 ----- -1.371 0.658 -0.129 0.428 RESID 298 (R): -2.996 ----- 0.891 -1.653 1.351 -0.718 RESID 299 (L): -0.924 ----- 0.341 0.391 -2.486 0.461 RESID 300 (D): 0.505 ----- -2.214 -1.437 0.660 -1.037 RESID 301 (Y): -3.374 ----- -0.890 -1.667 0.039 -1.059 RESID 302 (Y): -3.241 ----- 3.138 1.005 -0.013 -0.809 RESID 303 (S): 3.461 ----- -0.206 -0.792 0.527 -0.052 RESID 304 (A): 1.934 ----- 1.032 0.700 0.204 0.913 RESID 305 (M): -1.384 ----- 0.481 -1.649 -0.784 -0.263 RESID 306 (Q): 0.473 ----- 0.163 0.528 -0.377 -0.131 RESID 308 (L): ----- ----- 0.211 0.264 0.407 ----- RESID 309 (D): 0.039 ----- 0.714 0.284 0.482 -0.042 RESID 310 (R): 1.089 ----- 0.170 -0.598 -0.336 0.866 RESID 311 (L): -0.718 ----- 0.076 0.267 0.494 0.151 RESID 312 (K): -2.228 ----- -0.400 0.074 -0.052 -0.241 RESID 313 (A): -1.320 ----- 1.366 0.630 -0.451 -0.302 RESID 314 (L): 0.335 ----- 0.943 -0.465 1.375 -0.693 DATA CS_STAT_INFO N RMS: 8.231 ppm Count: 256 Average Difference: 0.476 +/- 8.233 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.223 ppm Count: 281 Average Difference: -0.163 +/- 1.215 ppm DATA CS_STAT_INFO CA RMS: 1.338 ppm Count: 283 Average Difference: -0.099 +/- 1.336 ppm DATA CS_STAT_INFO CB RMS: 1.423 ppm Count: 260 Average Difference: -0.162 +/- 1.416 ppm DATA CS_STAT_INFO HN RMS: 0.718 ppm Count: 256 Average Difference: -0.021 +/- 0.720 ppm ############################################################################ For conformer 26: Atom Original Corrected SPARTA Difference RESID 25 (D): N 120.600 120.600 120.633 -0.033 RESID 25 (D): C 174.400 174.400 175.914 -1.514 RESID 25 (D): CA 55.230 55.230 53.109 2.121 RESID 25 (D): CB 41.340 41.340 41.909 -0.569 RESID 25 (D): H 8.275 8.275 8.223 0.052 RESID 26 (W): N 120.100 120.100 123.481 -3.381 RESID 26 (W): C 174.200 174.200 175.076 -0.876 RESID 26 (W): CA 55.330 55.330 54.939 0.391 RESID 26 (W): CB 31.090 31.090 27.823 3.267 RESID 26 (W): H 7.788 7.788 7.659 0.129 RESID 27 (P): C 175.900 175.900 175.904 -0.004 RESID 27 (P): CA 62.800 62.800 63.102 -0.302 RESID 27 (P): CB 37.260 37.260 32.317 4.943 RESID 28 (R): N 118.000 118.000 121.866 -3.866 RESID 28 (R): C 173.700 173.700 175.098 -1.398 RESID 28 (R): CA 55.160 55.160 54.425 0.735 RESID 28 (R): CB 33.430 33.430 32.669 0.761 RESID 28 (R): H 8.686 8.686 8.612 0.074 RESID 29 (Q): N 120.800 120.800 121.648 -0.848 RESID 29 (Q): C 175.500 175.500 174.909 0.591 RESID 29 (Q): CA 54.780 54.780 56.033 -1.253 RESID 29 (Q): CB 30.700 30.700 29.254 1.446 RESID 29 (Q): H 8.506 8.506 8.584 -0.078 RESID 30 (I): N 124.300 124.300 126.107 -1.807 RESID 30 (I): C 175.700 175.700 175.126 0.574 RESID 30 (I): CA 58.520 58.520 59.453 -0.933 RESID 30 (I): CB 40.680 40.680 41.152 -0.472 RESID 30 (I): H 9.002 9.002 7.920 1.082 RESID 31 (T): N 125.200 125.200 122.025 3.175 RESID 31 (T): C 174.400 174.400 173.670 0.730 RESID 31 (T): CA 62.150 62.150 63.487 -1.337 RESID 31 (T): CB 70.640 70.640 69.585 1.055 RESID 31 (T): H 8.989 8.989 8.403 0.586 RESID 32 (D): N 129.500 129.500 123.839 5.661 RESID 32 (D): C 177.400 177.400 175.964 1.436 RESID 32 (D): CA 52.630 52.630 51.819 0.811 RESID 32 (D): CB 42.950 42.950 43.441 -0.491 RESID 32 (D): H 9.389 9.389 7.986 1.403 RESID 33 (S): N 111.900 111.900 116.308 -4.408 RESID 33 (S): C 175.600 175.600 176.175 -0.575 RESID 33 (S): CA 60.920 60.920 60.489 0.431 RESID 33 (S): CB 63.430 63.430 63.820 -0.390 RESID 33 (S): H 8.075 8.075 8.290 -0.215 RESID 34 (R): N 120.600 120.600 122.991 -2.391 RESID 34 (R): C 176.100 176.100 176.729 -0.629 RESID 34 (R): CA 55.020 55.020 58.681 -3.661 RESID 34 (R): CB 30.850 30.850 30.677 0.173 RESID 34 (R): H 8.433 8.433 7.948 0.485 RESID 35 (G): N 108.900 108.900 103.741 5.159 RESID 35 (G): C 171.200 171.200 173.452 -2.252 RESID 35 (G): CA 45.060 45.060 45.561 -0.501 RESID 35 (G): H 7.837 7.837 8.595 -0.758 RESID 36 (T): N 116.300 116.300 116.149 0.151 RESID 36 (T): C 173.800 173.800 173.020 0.780 RESID 36 (T): CA 62.670 62.670 62.645 0.025 RESID 36 (T): CB 70.000 70.000 70.080 -0.080 RESID 36 (T): H 8.192 8.192 7.609 0.583 RESID 37 (H): N 125.800 125.800 125.314 0.486 RESID 37 (H): C 174.000 174.000 173.281 0.719 RESID 37 (H): CA 54.060 54.060 55.329 -1.269 RESID 37 (H): CB 31.020 31.020 33.036 -2.016 RESID 37 (H): H 8.986 8.986 8.627 0.359 RESID 38 (T): N 121.500 121.500 117.021 4.479 RESID 38 (T): C 174.200 174.200 172.808 1.392 RESID 38 (T): CA 63.190 63.190 61.076 2.114 RESID 38 (T): CB 70.080 70.080 71.331 -1.251 RESID 38 (T): H 9.101 9.101 7.485 1.616 RESID 39 (L): N 129.600 129.600 122.389 7.211 RESID 39 (L): C 176.900 176.900 176.802 0.098 RESID 39 (L): CA 53.990 53.990 53.477 0.513 RESID 39 (L): CB 43.160 43.160 44.078 -0.918 RESID 39 (L): H 9.145 9.145 8.675 0.470 RESID 40 (E): N 124.300 124.300 125.938 -1.638 RESID 40 (E): C 175.600 175.600 175.918 -0.318 RESID 40 (E): CA 59.420 59.420 59.114 0.306 RESID 40 (E): CB 30.710 30.710 30.225 0.485 RESID 40 (E): H 9.164 9.164 9.029 0.135 RESID 41 (S): N 108.300 108.300 110.151 -1.851 RESID 41 (S): C 171.700 171.700 173.183 -1.483 RESID 41 (S): CA 56.270 56.270 57.157 -0.888 RESID 41 (S): CB 65.420 65.420 64.826 0.593 RESID 41 (S): H 7.326 7.326 7.483 -0.157 RESID 42 (Q): N 123.900 123.900 120.628 3.272 RESID 42 (Q): C 174.600 174.600 174.753 -0.153 RESID 42 (Q): CA 53.730 53.730 55.753 -2.023 RESID 42 (Q): CB 28.470 28.470 27.921 0.549 RESID 42 (Q): H 7.339 7.339 8.608 -1.269 RESID 43 (P): C 176.300 176.300 176.623 -0.323 RESID 43 (P): CA 64.080 64.080 63.313 0.767 RESID 43 (P): CB 32.510 32.510 32.411 0.099 RESID 44 (Q): N 125.100 125.100 122.548 2.552 RESID 44 (Q): C 175.400 175.400 176.001 -0.601 RESID 44 (Q): CA 55.780 55.780 57.304 -1.524 RESID 44 (Q): CB 32.660 32.660 29.803 2.857 RESID 44 (Q): H 11.160 11.160 8.541 2.619 RESID 45 (R): N 125.700 125.700 117.381 8.319 RESID 45 (R): C 174.600 174.600 174.110 0.490 RESID 45 (R): CA 55.310 55.310 55.212 0.098 RESID 45 (R): CB 33.070 33.070 33.120 -0.050 RESID 45 (R): H 10.010 10.010 7.545 2.465 RESID 47 (V): C 174.700 174.700 174.463 0.237 RESID 47 (V): CA 60.970 60.970 61.226 -0.256 RESID 47 (V): CB 34.140 34.140 34.300 -0.160 RESID 48 (S): N 118.300 118.300 120.132 -1.832 RESID 48 (S): C 175.500 175.500 173.859 1.641 RESID 48 (S): CA 55.700 55.700 57.691 -1.991 RESID 48 (S): CB 64.750 64.750 66.376 -1.626 RESID 48 (S): H 7.852 7.852 8.584 -0.732 RESID 49 (T): N 116.800 116.800 112.522 4.278 RESID 49 (T): C 171.500 171.500 174.547 -3.047 RESID 49 (T): CA 62.400 62.400 61.435 0.965 RESID 49 (T): CB 69.320 69.320 69.723 -0.403 RESID 49 (T): H 8.283 8.283 8.607 -0.324 RESID 50 (S): N 116.200 116.200 116.501 -0.301 RESID 50 (S): C 174.600 174.600 175.239 -0.639 RESID 50 (S): CA 54.640 54.640 56.642 -2.002 RESID 50 (S): CB 64.000 64.000 64.176 -0.176 RESID 50 (S): H 7.627 7.627 7.739 -0.112 RESID 51 (V): N 134.300 134.300 129.050 5.250 RESID 51 (V): C 175.100 175.100 177.842 -2.742 RESID 51 (V): CA 65.620 65.620 66.039 -0.419 RESID 51 (V): CB 31.790 31.790 32.006 -0.216 RESID 51 (V): H 9.218 9.218 9.030 0.188 RESID 52 (T): N 117.000 117.000 116.157 0.843 RESID 52 (T): C 179.700 179.700 176.371 3.329 RESID 52 (T): CA 67.390 67.390 66.858 0.532 RESID 52 (T): CB 69.130 69.130 68.637 0.493 RESID 52 (T): H 7.841 7.841 8.041 -0.200 RESID 53 (L): N 123.400 123.400 121.948 1.452 RESID 53 (L): C 178.700 178.700 178.182 0.518 RESID 53 (L): CA 57.460 57.460 58.225 -0.765 RESID 53 (L): CB 42.610 42.610 41.769 0.841 RESID 53 (L): H 8.092 8.092 8.590 -0.498 RESID 54 (T): N 117.500 117.500 115.722 1.778 RESID 54 (T): C 174.900 174.900 176.637 -1.737 RESID 54 (T): CA 67.070 67.070 67.723 -0.653 RESID 54 (T): H 8.039 8.039 8.132 -0.093 RESID 55 (G): N 105.500 105.500 109.534 -4.034 RESID 55 (G): C 175.600 175.600 176.110 -0.510 RESID 55 (G): CA 47.260 47.260 47.081 0.179 RESID 55 (G): H 6.591 6.591 7.902 -1.311 RESID 56 (S): N 117.000 117.000 117.927 -0.927 RESID 56 (S): C 175.600 175.600 176.846 -1.246 RESID 56 (S): CA 63.400 63.400 61.344 2.056 RESID 56 (S): CB 65.060 65.060 62.775 2.285 RESID 56 (S): H 6.709 6.709 7.976 -1.267 RESID 58 (L): C 181.200 181.200 179.422 1.778 RESID 58 (L): CA 57.480 57.480 57.752 -0.272 RESID 58 (L): CB 40.810 40.810 40.921 -0.111 RESID 59 (A): N 122.100 122.100 122.880 -0.780 RESID 59 (A): C 178.500 178.500 178.777 -0.277 RESID 59 (A): CA 55.540 55.540 54.808 0.732 RESID 59 (A): CB 18.440 18.440 18.740 -0.300 RESID 59 (A): H 7.797 7.797 8.113 -0.316 RESID 60 (I): C 172.700 172.700 174.251 -1.551 RESID 60 (I): CA 60.390 60.390 60.227 0.163 RESID 60 (I): CB 37.930 37.930 37.522 0.408 RESID 61 (D): N 116.200 116.200 118.696 -2.496 RESID 61 (D): C 174.800 174.800 174.560 0.240 RESID 61 (D): CA 55.850 55.850 55.799 0.051 RESID 61 (D): CB 38.930 38.930 38.966 -0.036 RESID 61 (D): H 7.736 7.736 7.750 -0.014 RESID 62 (A): N 118.900 118.900 122.105 -3.205 RESID 62 (A): C 176.800 176.800 174.100 2.700 RESID 62 (A): CA 50.040 50.040 50.862 -0.822 RESID 62 (A): CB 17.940 17.940 19.591 -1.651 RESID 62 (A): H 7.820 7.820 7.707 0.113 RESID 63 (P): C 173.600 173.600 175.703 -2.103 RESID 63 (P): CA 63.250 63.250 62.637 0.613 RESID 63 (P): CB 27.640 27.640 32.341 -4.701 RESID 64 (V): N 123.100 123.100 119.429 3.671 RESID 64 (V): C 174.800 174.800 175.697 -0.897 RESID 64 (V): CA 58.420 58.420 59.881 -1.461 RESID 64 (V): CB 33.300 33.300 34.064 -0.764 RESID 64 (V): H 8.299 8.299 7.862 0.437 RESID 65 (I): N 122.000 122.000 126.451 -4.451 RESID 65 (I): C 177.100 177.100 175.566 1.534 RESID 65 (I): CA 61.010 61.010 64.023 -3.013 RESID 65 (I): CB 39.480 39.480 38.212 1.268 RESID 65 (I): H 8.589 8.589 8.344 0.245 RESID 66 (A): N 120.700 120.700 116.465 4.235 RESID 66 (A): C 175.100 175.100 175.220 -0.120 RESID 66 (A): CA 51.300 51.300 50.629 0.671 RESID 66 (A): CB 22.980 22.980 21.505 1.475 RESID 66 (A): H 7.246 7.246 7.662 -0.416 RESID 67 (S): N 111.700 111.700 116.812 -5.112 RESID 67 (S): C 176.500 176.500 174.179 2.321 RESID 67 (S): CA 55.230 55.230 57.268 -2.038 RESID 67 (S): CB 65.300 65.300 67.709 -2.409 RESID 67 (S): H 8.561 8.561 8.336 0.225 RESID 68 (G): N 112.900 112.900 107.326 5.574 RESID 68 (G): C 171.000 171.000 172.616 -1.616 RESID 68 (G): CA 46.580 46.580 44.539 2.041 RESID 68 (G): H 7.604 7.604 8.705 -1.101 RESID 69 (A): N 122.300 122.300 126.079 -3.779 RESID 69 (A): C 177.900 177.900 175.107 2.793 RESID 69 (A): CA 51.280 51.280 52.493 -1.213 RESID 69 (A): CB 23.440 23.440 21.371 2.069 RESID 69 (A): H 7.402 7.402 8.162 -0.760 RESID 70 (T): N 119.600 119.600 113.385 6.215 RESID 70 (T): C 171.400 171.400 173.722 -2.322 RESID 70 (T): CA 58.150 58.150 60.847 -2.697 RESID 70 (T): CB 70.880 70.880 69.882 0.998 RESID 70 (T): H 9.171 9.171 8.109 1.062 RESID 71 (T): N 116.500 116.500 121.531 -5.031 RESID 71 (T): C 172.500 172.500 172.941 -0.441 RESID 71 (T): CA 61.680 61.680 61.540 0.140 RESID 71 (T): CB 70.490 70.490 68.962 1.528 RESID 71 (T): H 7.663 7.663 8.440 -0.777 RESID 72 (P): C 177.100 177.100 176.128 0.972 RESID 72 (P): CA 63.390 63.390 63.575 -0.185 RESID 72 (P): CB 32.940 32.940 32.214 0.726 RESID 73 (N): N 115.200 115.200 119.685 -4.485 RESID 73 (N): C 174.600 174.600 176.213 -1.613 RESID 73 (N): CA 54.570 54.570 53.840 0.730 RESID 73 (N): CB 37.020 37.020 38.458 -1.438 RESID 73 (N): H 7.990 7.990 8.694 -0.704 RESID 74 (N): C 175.800 175.800 176.259 -0.459 RESID 74 (N): CA 60.660 60.660 55.450 5.210 RESID 74 (N): CB 38.070 38.070 37.635 0.435 RESID 75 (R): N 114.600 114.600 120.294 -5.694 RESID 75 (R): C 177.400 177.400 177.738 -0.338 RESID 75 (R): CA 59.940 59.940 58.673 1.267 RESID 75 (R): CB 31.110 31.110 30.081 1.029 RESID 75 (R): H 8.049 8.049 8.330 -0.281 RESID 76 (V): N 107.100 107.100 117.519 -10.419 RESID 76 (V): C 176.000 176.000 175.939 0.061 RESID 76 (V): CA 61.110 61.110 64.020 -2.910 RESID 76 (V): CB 33.590 33.590 31.549 2.041 RESID 76 (V): H 7.356 7.356 8.189 -0.833 RESID 77 (A): N 126.900 126.900 120.911 5.989 RESID 77 (A): C 176.500 176.500 177.616 -1.116 RESID 77 (A): CA 51.390 51.390 52.457 -1.067 RESID 77 (A): CB 24.260 24.260 19.164 5.096 RESID 77 (A): H 7.873 7.873 7.147 0.726 RESID 78 (D): N 118.700 118.700 116.904 1.796 RESID 78 (D): C 178.100 178.100 175.887 2.213 RESID 78 (D): CA 51.970 51.970 52.892 -0.922 RESID 78 (D): CB 41.360 41.360 40.992 0.367 RESID 78 (D): H 8.607 8.607 8.177 0.430 RESID 79 (D): N 116.600 116.600 115.720 0.880 RESID 79 (D): C 176.400 176.400 176.110 0.290 RESID 79 (D): CA 56.030 56.030 54.964 1.066 RESID 79 (D): CB 40.100 40.100 39.210 0.890 RESID 79 (D): H 8.258 8.258 8.408 -0.150 RESID 80 (Q): N 117.200 117.200 121.516 -4.316 RESID 80 (Q): C 175.700 175.700 176.881 -1.181 RESID 80 (Q): CA 54.970 54.970 56.487 -1.517 RESID 80 (Q): CB 30.840 30.840 28.443 2.397 RESID 80 (Q): H 8.160 8.160 8.345 -0.185 RESID 81 (G): N 105.300 105.300 105.297 0.003 RESID 81 (G): C 174.200 174.200 173.355 0.845 RESID 81 (G): CA 45.740 45.740 44.786 0.954 RESID 81 (G): H 7.419 7.419 8.062 -0.643 RESID 82 (F): N 121.700 121.700 121.129 0.571 RESID 82 (F): C 175.300 175.300 175.740 -0.440 RESID 82 (F): CA 52.530 52.530 56.764 -4.234 RESID 82 (F): CB 37.430 37.430 40.041 -2.611 RESID 82 (F): H 8.154 8.154 7.857 0.297 RESID 83 (L): C 178.400 178.400 177.430 0.970 RESID 83 (L): CA 55.550 55.550 55.213 0.337 RESID 83 (L): CB 38.480 38.480 41.942 -3.462 RESID 84 (R): N 119.000 119.000 118.629 0.371 RESID 84 (R): C 178.300 178.300 177.512 0.788 RESID 84 (R): CA 60.690 60.690 57.171 3.519 RESID 84 (R): CB 31.530 31.530 29.873 1.657 RESID 84 (R): H 7.746 7.746 8.436 -0.690 RESID 85 (Q): N 116.400 116.400 119.013 -2.613 RESID 85 (Q): C 174.700 174.700 177.458 -2.758 RESID 85 (Q): CA 58.200 58.200 57.898 0.302 RESID 85 (Q): CB 26.140 26.140 29.272 -3.132 RESID 85 (Q): H 9.838 9.838 8.030 1.808 RESID 86 (W): N 115.600 115.600 122.114 -6.514 RESID 86 (W): C 175.900 175.900 177.853 -1.953 RESID 86 (W): CA 55.320 55.320 60.495 -5.175 RESID 86 (W): CB 27.470 27.470 29.701 -2.231 RESID 86 (W): H 6.600 6.600 8.106 -1.506 RESID 87 (S): N 118.500 118.500 114.576 3.924 RESID 87 (S): C 177.300 177.300 175.844 1.456 RESID 87 (S): CA 62.340 62.340 61.874 0.466 RESID 87 (S): H 7.067 7.067 8.367 -1.300 RESID 88 (K): N 118.300 118.300 122.224 -3.924 RESID 88 (K): C 179.000 179.000 178.828 0.172 RESID 88 (K): CA 59.970 59.970 59.513 0.457 RESID 88 (K): CB 32.380 32.380 32.472 -0.092 RESID 88 (K): H 8.615 8.615 7.659 0.956 RESID 89 (V): N 120.600 120.600 114.282 6.318 RESID 89 (V): C 178.100 178.100 177.323 0.777 RESID 89 (V): CA 65.530 65.530 65.434 0.096 RESID 89 (V): CB 32.180 32.180 31.668 0.512 RESID 89 (V): H 7.089 7.089 7.712 -0.623 RESID 90 (A): N 120.700 120.700 121.173 -0.473 RESID 90 (A): C 180.000 180.000 178.951 1.049 RESID 90 (A): CA 55.490 55.490 54.184 1.306 RESID 90 (A): CB 19.130 19.130 17.818 1.312 RESID 90 (A): H 7.979 7.979 7.334 0.645 RESID 91 (K): N 117.600 117.600 118.019 -0.419 RESID 91 (K): C 180.900 180.900 177.888 3.012 RESID 91 (K): CA 59.830 59.830 58.841 0.989 RESID 91 (K): CB 32.700 32.700 32.717 -0.017 RESID 91 (K): H 7.844 7.844 8.132 -0.288 RESID 92 (E): N 122.300 122.300 117.253 5.047 RESID 92 (E): C 178.600 178.600 177.094 1.506 RESID 92 (E): CA 59.590 59.590 57.306 2.284 RESID 92 (E): CB 29.740 29.740 30.391 -0.651 RESID 92 (E): H 8.178 8.178 7.701 0.477 RESID 93 (R): N 115.300 115.300 118.447 -3.147 RESID 93 (R): C 175.000 175.000 174.680 0.320 RESID 93 (R): CA 56.320 56.320 55.521 0.799 RESID 93 (R): CB 29.390 29.390 30.905 -1.515 RESID 93 (R): H 7.776 7.776 8.047 -0.271 RESID 94 (K): N 116.800 116.800 115.033 1.767 RESID 94 (K): C 176.400 176.400 175.721 0.679 RESID 94 (K): CA 56.950 56.950 57.601 -0.651 RESID 94 (K): CB 28.870 28.870 30.289 -1.419 RESID 94 (K): H 7.697 7.697 8.397 -0.700 RESID 95 (L): N 120.600 120.600 121.661 -1.061 RESID 95 (L): C 177.200 177.200 176.901 0.299 RESID 95 (L): CA 56.710 56.710 55.980 0.730 RESID 95 (L): CB 43.480 43.480 42.449 1.031 RESID 95 (L): H 7.708 7.708 7.645 0.063 RESID 96 (Q): N 124.900 124.900 124.466 0.434 RESID 96 (Q): C 175.000 175.000 175.950 -0.950 RESID 96 (Q): CA 55.570 55.570 54.928 0.642 RESID 96 (Q): CB 30.080 30.080 29.748 0.332 RESID 96 (Q): H 7.526 7.526 8.398 -0.872 RESID 97 (R): N 126.000 126.000 119.559 6.441 RESID 97 (R): C 176.800 176.800 176.207 0.593 RESID 97 (R): CA 55.610 55.610 56.612 -1.002 RESID 97 (R): CB 31.840 31.840 30.213 1.627 RESID 97 (R): H 9.039 9.039 8.533 0.506 RESID 98 (L): N 126.500 126.500 123.030 3.470 RESID 98 (L): C 175.400 175.400 175.810 -0.410 RESID 98 (L): CA 56.610 56.610 54.193 2.417 RESID 98 (L): CB 47.140 47.140 43.790 3.350 RESID 98 (L): H 8.247 8.247 8.672 -0.425 RESID 99 (Y): N 110.000 110.000 111.963 -1.963 RESID 99 (Y): C 173.200 173.200 174.593 -1.393 RESID 99 (Y): CA 55.320 55.320 56.163 -0.843 RESID 99 (Y): CB 38.350 38.350 39.326 -0.976 RESID 99 (Y): H 6.465 6.465 7.821 -1.356 RESID 100 (I): N 120.000 120.000 124.375 -4.375 RESID 100 (I): C 176.800 176.800 177.109 -0.309 RESID 100 (I): CA 61.290 61.290 62.754 -1.464 RESID 100 (I): CB 39.980 39.980 36.881 3.099 RESID 100 (I): H 8.725 8.725 8.843 -0.118 RESID 101 (G): N 114.800 114.800 113.769 1.031 RESID 101 (G): C 173.400 173.400 174.016 -0.616 RESID 101 (G): CA 47.030 47.030 44.814 2.216 RESID 101 (G): H 8.224 8.224 8.472 -0.248 RESID 102 (E): N 129.600 129.600 118.684 10.916 RESID 102 (E): C 173.700 173.700 174.471 -0.771 RESID 102 (E): CA 54.480 54.480 53.991 0.489 RESID 102 (E): CB 29.790 29.790 27.747 2.043 RESID 102 (E): H 8.294 8.294 8.003 0.291 RESID 103 (P): C 175.400 175.400 176.233 -0.833 RESID 103 (P): CA 62.040 62.040 63.414 -1.374 RESID 103 (P): CB 32.570 32.570 32.655 -0.085 RESID 104 (S): N 111.900 111.900 117.134 -5.234 RESID 104 (S): C 174.800 174.800 174.638 0.162 RESID 104 (S): CA 55.340 55.340 58.498 -3.158 RESID 104 (S): CB 64.330 64.330 64.380 -0.050 RESID 104 (S): H 5.412 5.412 7.972 -2.560 RESID 105 (A): N 130.200 130.200 129.968 0.232 RESID 105 (A): C 179.400 179.400 179.050 0.350 RESID 105 (A): CA 55.070 55.070 54.312 0.758 RESID 105 (A): CB 18.210 18.210 19.116 -0.906 RESID 105 (A): H 9.211 9.211 8.876 0.335 RESID 106 (E): N 119.800 119.800 119.446 0.354 RESID 106 (E): C 179.300 179.300 178.858 0.442 RESID 106 (E): CA 60.270 60.270 59.031 1.239 RESID 106 (E): CB 28.990 28.990 29.463 -0.473 RESID 106 (E): H 8.731 8.731 8.584 0.147 RESID 107 (A): N 121.600 121.600 122.113 -0.513 RESID 107 (A): C 180.100 180.100 179.736 0.364 RESID 107 (A): CA 54.650 54.650 54.936 -0.286 RESID 107 (A): CB 19.220 19.220 18.437 0.783 RESID 107 (A): H 7.682 7.682 7.830 -0.148 RESID 108 (V): N 116.600 116.600 118.545 -1.945 RESID 108 (V): C 177.700 177.700 178.505 -0.805 RESID 108 (V): CA 66.920 66.920 65.957 0.963 RESID 108 (V): CB 31.430 31.430 31.732 -0.302 RESID 108 (V): H 7.015 7.015 7.512 -0.497 RESID 109 (A): N 121.400 121.400 122.833 -1.433 RESID 109 (A): C 181.100 181.100 179.220 1.880 RESID 109 (A): CA 55.540 55.540 54.919 0.621 RESID 109 (A): CB 17.900 17.900 18.039 -0.139 RESID 109 (A): H 8.262 8.262 8.115 0.147 RESID 110 (A): N 118.800 118.800 119.544 -0.744 RESID 110 (A): C 178.900 178.900 178.651 0.249 RESID 110 (A): CA 54.300 54.300 54.545 -0.245 RESID 110 (A): CB 18.460 18.460 18.485 -0.025 RESID 110 (A): H 7.607 7.607 7.928 -0.321 RESID 111 (Q): N 113.500 113.500 114.603 -1.103 RESID 111 (Q): C 174.900 174.900 175.969 -1.069 RESID 111 (Q): CA 55.160 55.160 54.276 0.884 RESID 111 (Q): CB 28.450 28.450 28.587 -0.137 RESID 111 (Q): H 7.148 7.148 7.438 -0.290 RESID 112 (M): N 114.700 114.700 120.808 -6.108 RESID 112 (M): C 173.300 173.300 173.235 0.065 RESID 112 (M): CA 55.900 55.900 55.531 0.369 RESID 112 (M): CB 30.300 30.300 31.735 -1.435 RESID 112 (M): H 7.882 7.882 7.933 -0.051 RESID 113 (P): C 176.700 176.700 176.252 0.448 RESID 113 (P): CA 62.820 62.820 62.611 0.209 RESID 113 (P): CB 33.340 33.340 32.929 0.411 RESID 114 (D): N 115.800 115.800 118.013 -2.213 RESID 114 (D): C 175.900 175.900 175.986 -0.086 RESID 114 (D): CA 53.150 53.150 55.248 -2.099 RESID 114 (D): CB 40.990 40.990 42.813 -1.823 RESID 114 (D): H 8.850 8.850 8.233 0.617 RESID 115 (L): C 174.900 174.900 174.288 0.612 RESID 115 (L): CA 52.800 52.800 54.201 -1.401 RESID 116 (I): N 123.500 123.500 126.320 -2.820 RESID 116 (I): CA 60.270 60.270 60.371 -0.101 RESID 116 (I): H 9.340 9.340 8.008 1.332 RESID 118 (I): C 174.400 174.400 175.369 -0.969 RESID 118 (I): CA 60.250 60.250 59.824 0.426 RESID 118 (I): CB 42.610 42.610 41.620 0.991 RESID 119 (S): N 121.600 121.600 121.130 0.470 RESID 119 (S): C 175.700 175.700 175.111 0.589 RESID 119 (S): CA 57.150 57.150 57.723 -0.573 RESID 119 (S): CB 65.280 65.280 64.613 0.667 RESID 119 (S): H 9.575 9.575 8.533 1.042 RESID 120 (A): N 126.000 126.000 124.414 1.586 RESID 120 (A): C 176.900 176.900 177.370 -0.470 RESID 120 (A): CA 54.300 54.300 54.349 -0.049 RESID 120 (A): CB 20.530 20.530 19.006 1.524 RESID 120 (A): H 8.143 8.143 8.651 -0.508 RESID 121 (T): N 106.400 106.400 110.542 -4.142 RESID 121 (T): C 173.000 173.000 173.098 -0.098 RESID 121 (T): CA 59.450 59.450 61.901 -2.451 RESID 121 (T): CB 72.310 72.310 70.703 1.607 RESID 121 (T): H 7.617 7.617 7.831 -0.214 RESID 122 (G): N 104.200 104.200 110.663 -6.463 RESID 122 (G): C 177.200 177.200 174.127 3.073 RESID 122 (G): CA 44.430 44.430 45.195 -0.765 RESID 122 (G): H 7.998 7.998 7.842 0.156 RESID 123 (G): C 174.100 174.100 174.312 -0.212 RESID 123 (G): CA 46.710 46.710 45.671 1.039 RESID 124 (D): N 116.900 116.900 119.312 -2.412 RESID 124 (D): C 176.900 176.900 175.922 0.978 RESID 124 (D): CA 52.320 52.320 52.909 -0.589 RESID 124 (D): CB 40.690 40.690 40.651 0.039 RESID 124 (D): H 8.617 8.617 7.794 0.823 RESID 125 (S): N 115.100 115.100 119.194 -4.094 RESID 125 (S): C 176.900 176.900 175.239 1.661 RESID 125 (S): CA 58.750 58.750 58.672 0.078 RESID 125 (S): CB 64.190 64.190 64.053 0.137 RESID 125 (S): H 7.322 7.322 8.426 -1.104 RESID 126 (A): N 134.900 134.900 130.151 4.749 RESID 126 (A): C 176.700 176.700 178.653 -1.953 RESID 126 (A): CA 51.150 51.150 53.499 -2.349 RESID 126 (A): CB 16.850 16.850 19.084 -2.234 RESID 126 (A): H 8.837 8.837 8.579 0.258 RESID 127 (L): N 121.000 121.000 121.058 -0.058 RESID 127 (L): C 178.900 178.900 178.371 0.529 RESID 127 (L): CA 58.730 58.730 57.248 1.482 RESID 127 (L): CB 42.840 42.840 41.606 1.234 RESID 127 (L): H 7.353 7.353 8.160 -0.807 RESID 128 (A): N 121.600 121.600 118.213 3.387 RESID 128 (A): C 178.900 178.900 178.161 0.739 RESID 128 (A): CA 55.010 55.010 54.205 0.805 RESID 128 (A): CB 18.200 18.200 18.696 -0.496 RESID 128 (A): H 8.918 8.918 7.636 1.282 RESID 129 (L): N 116.800 116.800 116.158 0.642 RESID 129 (L): C 177.000 177.000 177.883 -0.883 RESID 129 (L): CA 53.930 53.930 55.177 -1.247 RESID 129 (L): CB 42.710 42.710 43.093 -0.383 RESID 129 (L): H 7.776 7.776 7.415 0.361 RESID 130 (Y): N 122.000 122.000 122.907 -0.907 RESID 130 (Y): C 177.100 177.100 176.787 0.313 RESID 130 (Y): CA 64.420 64.420 62.910 1.510 RESID 130 (Y): CB 39.470 39.470 38.418 1.052 RESID 130 (Y): H 7.891 7.891 8.984 -1.093 RESID 131 (D): N 119.000 119.000 117.759 1.241 RESID 131 (D): C 178.300 178.300 178.476 -0.176 RESID 131 (D): CA 58.040 58.040 57.446 0.595 RESID 131 (D): CB 39.660 39.660 39.326 0.334 RESID 131 (D): H 9.014 9.014 8.107 0.907 RESID 132 (Q): N 118.900 118.900 120.076 -1.176 RESID 132 (Q): C 179.100 179.100 178.812 0.288 RESID 132 (Q): CA 58.930 58.930 58.802 0.128 RESID 132 (Q): CB 29.320 29.320 28.725 0.595 RESID 132 (Q): H 7.814 7.814 8.000 -0.186 RESID 133 (L): N 119.700 119.700 120.004 -0.304 RESID 133 (L): C 177.900 177.900 178.607 -0.707 RESID 133 (L): CA 57.910 57.910 57.565 0.345 RESID 133 (L): CB 40.980 40.980 41.795 -0.815 RESID 133 (L): H 8.450 8.450 8.902 -0.452 RESID 134 (S): N 111.800 111.800 115.041 -3.241 RESID 134 (S): C 175.500 175.500 176.003 -0.503 RESID 134 (S): CA 61.160 61.160 60.839 0.321 RESID 134 (S): CB 63.450 63.450 62.661 0.789 RESID 134 (S): H 8.128 8.128 8.461 -0.333 RESID 135 (T): N 111.100 111.100 116.332 -5.232 RESID 135 (T): C 175.300 175.300 176.473 -1.173 RESID 135 (T): CA 63.230 63.230 65.269 -2.039 RESID 135 (T): CB 69.670 69.670 69.013 0.657 RESID 135 (T): H 6.953 6.953 7.597 -0.644 RESID 136 (I): N 124.400 124.400 120.443 3.957 RESID 136 (I): C 175.800 175.800 175.549 0.251 RESID 136 (I): CA 63.940 63.940 63.993 -0.053 RESID 136 (I): CB 38.870 38.870 38.520 0.350 RESID 136 (I): H 7.694 7.694 7.277 0.417 RESID 137 (A): N 120.500 120.500 118.542 1.958 RESID 137 (A): C 172.300 172.300 173.916 -1.616 RESID 137 (A): CA 50.470 50.470 50.615 -0.145 RESID 137 (A): CB 19.320 19.320 19.460 -0.140 RESID 137 (A): H 7.540 7.540 8.018 -0.478 RESID 138 (P): C 174.700 174.700 176.154 -1.454 RESID 138 (P): CA 64.700 64.700 63.468 1.232 RESID 138 (P): CB 31.610 31.610 31.867 -0.257 RESID 139 (T): N 122.000 122.000 119.889 2.111 RESID 139 (T): C 173.900 173.900 173.936 -0.036 RESID 139 (T): CA 61.630 61.630 62.933 -1.303 RESID 139 (T): CB 71.540 71.540 69.560 1.980 RESID 139 (T): H 7.990 7.990 7.983 0.007 RESID 140 (L): C 174.900 174.900 174.307 0.593 RESID 140 (L): CA 52.740 52.740 53.525 -0.785 RESID 140 (L): CB 46.680 46.680 46.000 0.680 RESID 141 (I): N 123.500 123.500 125.834 -2.334 RESID 141 (I): C 175.700 175.700 174.578 1.122 RESID 141 (I): CA 60.250 60.250 61.257 -1.007 RESID 141 (I): CB 39.590 39.590 38.471 1.119 RESID 141 (I): H 9.345 9.345 7.914 1.431 RESID 142 (I): N 129.000 129.000 127.094 1.906 RESID 142 (I): C 174.400 174.400 174.189 0.211 RESID 142 (I): CA 57.930 57.930 59.885 -1.955 RESID 142 (I): CB 39.690 39.690 41.933 -2.243 RESID 142 (I): H 9.030 9.030 8.856 0.174 RESID 143 (N): N 129.100 129.100 124.112 4.988 RESID 143 (N): C 174.700 174.700 174.260 0.440 RESID 143 (N): CA 51.390 51.390 53.244 -1.854 RESID 143 (N): CB 39.720 39.720 39.671 0.049 RESID 143 (N): H 9.388 9.388 8.655 0.732 RESID 144 (Y): N 119.900 119.900 125.446 -5.546 RESID 144 (Y): C 176.500 176.500 174.718 1.782 RESID 144 (Y): CA 55.820 55.820 59.379 -3.559 RESID 144 (Y): CB 39.120 39.120 39.383 -0.263 RESID 144 (Y): H 8.491 8.491 8.247 0.244 RESID 145 (D): N 125.200 125.200 124.424 0.776 RESID 145 (D): C 176.800 176.800 175.061 1.739 RESID 145 (D): CA 55.220 55.220 55.398 -0.178 RESID 145 (D): CB 43.120 43.120 39.782 3.338 RESID 145 (D): H 8.800 8.800 8.368 0.432 RESID 146 (D): N 119.100 119.100 115.205 3.895 RESID 146 (D): C 175.200 175.200 175.292 -0.092 RESID 146 (D): CA 53.230 53.230 53.596 -0.366 RESID 146 (D): CB 40.760 40.760 42.393 -1.633 RESID 146 (D): H 7.571 7.571 8.634 -1.063 RESID 147 (K): N 114.100 114.100 119.816 -5.716 RESID 147 (K): C 175.000 175.000 175.272 -0.272 RESID 147 (K): CA 54.070 54.070 55.606 -1.536 RESID 147 (K): CB 33.340 33.340 35.137 -1.797 RESID 147 (K): H 7.018 7.018 7.566 -0.548 RESID 148 (S): N 118.300 118.300 118.780 -0.480 RESID 148 (S): C 175.700 175.700 176.086 -0.386 RESID 148 (S): CA 57.120 57.120 57.179 -0.060 RESID 148 (S): CB 64.970 64.970 64.233 0.737 RESID 148 (S): H 8.709 8.709 8.491 0.218 RESID 149 (W): N 121.700 121.700 119.998 1.702 RESID 149 (W): C 179.300 179.300 177.246 2.054 RESID 149 (W): CA 59.890 59.890 58.566 1.324 RESID 149 (W): CB 27.660 27.660 28.384 -0.724 RESID 149 (W): H 8.779 8.779 8.907 -0.128 RESID 150 (Q): N 124.600 124.600 121.403 3.197 RESID 150 (Q): C 178.100 178.100 177.833 0.267 RESID 150 (Q): CA 61.660 61.660 58.290 3.370 RESID 150 (Q): CB 26.550 26.550 27.747 -1.197 RESID 150 (Q): H 8.369 8.369 6.760 1.609 RESID 151 (S): N 117.500 117.500 116.386 1.114 RESID 151 (S): C 177.500 177.500 176.906 0.594 RESID 151 (S): CA 61.760 61.760 61.227 0.533 RESID 151 (S): CB 63.360 63.360 62.723 0.637 RESID 151 (S): H 7.769 7.769 7.690 0.079 RESID 152 (L): N 125.200 125.200 122.733 2.467 RESID 152 (L): C 178.700 178.700 178.137 0.563 RESID 152 (L): CA 58.320 58.320 57.941 0.379 RESID 152 (L): CB 41.980 41.980 41.682 0.298 RESID 152 (L): H 8.460 8.460 8.404 0.056 RESID 153 (L): N 119.200 119.200 118.620 0.580 RESID 153 (L): C 179.700 179.700 178.665 1.035 RESID 153 (L): CA 58.960 58.960 57.546 1.414 RESID 153 (L): CB 41.270 41.270 41.371 -0.101 RESID 153 (L): H 8.562 8.562 7.631 0.931 RESID 154 (T): N 116.300 116.300 112.827 3.473 RESID 154 (T): C 177.200 177.200 176.896 0.304 RESID 154 (T): CA 67.290 67.290 65.987 1.303 RESID 154 (T): CB 68.640 68.640 68.119 0.521 RESID 154 (T): H 8.004 8.004 7.860 0.144 RESID 155 (Q): N 124.500 124.500 121.037 3.463 RESID 155 (Q): C 179.200 179.200 178.037 1.163 RESID 155 (Q): CA 59.710 59.710 58.347 1.363 RESID 155 (Q): CB 28.620 28.620 28.379 0.241 RESID 155 (Q): H 8.230 8.230 7.957 0.273 RESID 156 (L): C 180.900 180.900 179.269 1.631 RESID 156 (L): CA 57.540 57.540 56.927 0.613 RESID 156 (L): CB 41.710 41.710 41.838 -0.128 RESID 157 (G): N 112.800 112.800 106.964 5.836 RESID 157 (G): C 174.500 174.500 175.045 -0.545 RESID 157 (G): CA 48.300 48.300 46.504 1.796 RESID 157 (G): H 9.216 9.216 8.013 1.203 RESID 158 (E): N 123.500 123.500 118.723 4.777 RESID 158 (E): C 177.800 177.800 177.198 0.602 RESID 158 (E): CA 59.120 59.120 57.895 1.225 RESID 158 (E): CB 29.700 29.700 29.399 0.301 RESID 158 (E): H 7.480 7.480 7.455 0.025 RESID 160 (T): C 178.300 178.300 176.008 2.292 RESID 160 (T): CA 61.930 61.930 63.099 -1.169 RESID 160 (T): CB 71.830 71.830 69.218 2.612 RESID 161 (G): N 113.600 113.600 115.094 -1.494 RESID 161 (G): C 174.600 174.600 174.405 0.195 RESID 161 (G): CA 48.130 48.130 46.708 1.422 RESID 161 (G): H 8.114 8.114 8.971 -0.857 RESID 162 (H): N 121.000 121.000 116.108 4.892 RESID 162 (H): C 174.000 174.000 176.286 -2.286 RESID 162 (H): CA 55.370 55.370 56.054 -0.684 RESID 162 (H): CB 28.280 28.280 31.317 -3.037 RESID 162 (H): H 8.506 8.506 7.754 0.752 RESID 163 (E): N 123.900 123.900 122.120 1.780 RESID 163 (E): C 180.800 180.800 178.491 2.309 RESID 163 (E): CA 61.160 61.160 59.801 1.359 RESID 163 (E): CB 28.720 28.720 29.117 -0.397 RESID 163 (E): H 10.300 10.300 8.756 1.544 RESID 164 (K): N 120.600 120.600 118.971 1.629 RESID 164 (K): C 178.700 178.700 178.726 -0.026 RESID 164 (K): CA 59.590 59.590 60.072 -0.482 RESID 164 (K): CB 32.280 32.280 32.165 0.115 RESID 164 (K): H 8.789 8.789 8.398 0.391 RESID 165 (Q): N 119.500 119.500 117.850 1.650 RESID 165 (Q): C 178.800 178.800 178.367 0.433 RESID 165 (Q): CA 60.870 60.870 58.676 2.194 RESID 165 (Q): CB 28.120 28.120 28.372 -0.251 RESID 165 (Q): H 8.058 8.058 8.315 -0.257 RESID 166 (A): N 121.100 121.100 122.427 -1.327 RESID 166 (A): C 178.000 178.000 179.425 -1.425 RESID 166 (A): CA 56.280 56.280 54.972 1.308 RESID 166 (A): CB 18.300 18.300 18.080 0.220 RESID 166 (A): H 7.873 7.873 8.174 -0.301 RESID 167 (A): N 117.900 117.900 120.943 -3.043 RESID 167 (A): C 181.500 181.500 179.617 1.883 RESID 167 (A): CA 55.100 55.100 55.258 -0.158 RESID 167 (A): CB 17.860 17.860 18.171 -0.311 RESID 167 (A): H 7.642 7.642 8.747 -1.105 RESID 168 (E): N 120.100 120.100 118.569 1.531 RESID 168 (E): C 179.600 179.600 179.133 0.467 RESID 168 (E): CA 59.610 59.610 59.610 0.000 RESID 168 (E): CB 29.790 29.790 29.340 0.450 RESID 168 (E): H 8.230 8.230 7.917 0.313 RESID 170 (I): C 177.700 177.700 177.693 0.007 RESID 170 (I): CA 66.880 66.880 65.297 1.583 RESID 170 (I): CB 39.310 39.310 37.955 1.355 RESID 171 (A): N 120.700 120.700 123.184 -2.484 RESID 171 (A): C 181.200 181.200 179.834 1.366 RESID 171 (A): CA 55.290 55.290 55.643 -0.353 RESID 171 (A): CB 18.260 18.260 18.109 0.151 RESID 171 (A): H 8.000 8.000 8.775 -0.775 RESID 172 (Q): N 120.600 120.600 118.042 2.558 RESID 172 (Q): C 179.200 179.200 178.583 0.617 RESID 172 (Q): CA 59.210 59.210 58.513 0.697 RESID 172 (Q): CB 28.340 28.340 28.598 -0.258 RESID 172 (Q): H 8.585 8.585 7.947 0.638 RESID 173 (F): N 122.500 122.500 122.592 -0.092 RESID 173 (F): C 176.400 176.400 177.413 -1.013 RESID 173 (F): CA 62.710 62.710 61.114 1.596 RESID 173 (F): CB 39.490 39.490 39.126 0.364 RESID 173 (F): H 8.457 8.457 8.752 -0.295 RESID 174 (D): N 121.000 121.000 120.137 0.863 RESID 174 (D): C 180.300 180.300 178.890 1.410 RESID 174 (D): CA 58.040 58.040 57.500 0.540 RESID 174 (D): CB 40.160 40.160 40.255 -0.095 RESID 174 (D): H 8.771 8.771 9.038 -0.267 RESID 175 (K): N 121.300 121.300 120.229 1.071 RESID 175 (K): C 179.800 179.800 178.637 1.163 RESID 175 (K): CA 59.630 59.630 59.646 -0.016 RESID 175 (K): CB 32.710 32.710 32.398 0.312 RESID 175 (K): H 8.125 8.125 8.213 -0.088 RESID 176 (Q): N 121.600 121.600 119.504 2.096 RESID 176 (Q): C 179.100 179.100 178.337 0.763 RESID 176 (Q): CA 58.460 58.460 58.939 -0.479 RESID 176 (Q): CB 27.990 27.990 28.524 -0.534 RESID 176 (Q): H 8.164 8.164 7.822 0.342 RESID 177 (L): N 125.600 125.600 119.601 5.999 RESID 177 (L): C 178.400 178.400 178.671 -0.271 RESID 177 (L): CA 59.890 59.890 57.231 2.659 RESID 177 (L): CB 41.200 41.200 41.362 -0.162 RESID 177 (L): H 8.944 8.944 7.739 1.205 RESID 178 (A): N 121.500 121.500 122.586 -1.086 RESID 178 (A): C 180.600 180.600 179.224 1.376 RESID 178 (A): CA 55.390 55.390 55.202 0.188 RESID 178 (A): CB 17.970 17.970 17.876 0.094 RESID 178 (A): H 7.690 7.690 8.273 -0.583 RESID 179 (A): N 120.200 120.200 120.974 -0.774 RESID 179 (A): C 180.600 180.600 179.859 0.741 RESID 179 (A): CA 54.860 54.860 54.506 0.354 RESID 179 (A): CB 18.190 18.190 18.604 -0.414 RESID 179 (A): H 7.706 7.706 7.650 0.056 RESID 180 (A): N 121.800 121.800 121.775 0.025 RESID 180 (A): C 179.200 179.200 179.112 0.088 RESID 180 (A): CA 55.490 55.490 54.729 0.761 RESID 180 (A): CB 17.920 17.920 18.225 -0.305 RESID 180 (A): H 8.171 8.171 7.984 0.187 RESID 181 (K): N 118.100 118.100 117.937 0.163 RESID 181 (K): C 178.000 178.000 178.104 -0.104 RESID 181 (K): CA 59.830 59.830 59.207 0.623 RESID 181 (K): CB 33.340 33.340 32.643 0.697 RESID 181 (K): H 8.342 8.342 8.324 0.018 RESID 182 (E): N 114.400 114.400 116.478 -2.078 RESID 182 (E): C 177.300 177.300 177.413 -0.113 RESID 182 (E): CA 57.870 57.870 57.125 0.745 RESID 182 (E): CB 30.320 30.320 29.213 1.107 RESID 182 (E): H 7.153 7.153 7.670 -0.517 RESID 183 (Q): N 116.700 116.700 117.380 -0.680 RESID 183 (Q): C 177.200 177.200 176.162 1.038 RESID 183 (Q): CA 57.060 57.060 56.812 0.248 RESID 183 (Q): CB 31.550 31.550 31.140 0.410 RESID 183 (Q): H 7.458 7.458 7.638 -0.180 RESID 184 (I): N 117.800 117.800 115.867 1.933 RESID 184 (I): C 175.200 175.200 174.243 0.957 RESID 184 (I): CA 63.000 63.000 59.750 3.250 RESID 184 (I): CB 40.300 40.300 39.961 0.339 RESID 184 (I): H 7.723 7.723 7.427 0.296 RESID 185 (K): N 127.700 127.700 122.733 4.967 RESID 185 (K): C 175.600 175.600 175.321 0.279 RESID 185 (K): CA 54.550 54.550 55.044 -0.494 RESID 185 (K): CB 31.600 31.600 34.375 -2.775 RESID 185 (K): H 8.743 8.743 7.935 0.808 RESID 186 (L): N 124.700 124.700 125.359 -0.659 RESID 186 (L): C 175.700 175.700 175.825 -0.125 RESID 186 (L): CA 54.240 54.240 52.156 2.084 RESID 186 (L): CB 41.050 41.050 40.788 0.262 RESID 186 (L): H 8.051 8.051 8.569 -0.518 RESID 188 (P): C 174.800 174.800 176.251 -1.451 RESID 188 (P): CA 65.060 65.060 63.596 1.464 RESID 188 (P): CB 32.670 32.670 31.684 0.986 RESID 189 (Q): N 121.300 121.300 120.570 0.730 RESID 189 (Q): C 174.800 174.800 173.099 1.701 RESID 189 (Q): CA 52.330 52.330 54.721 -2.391 RESID 189 (Q): CB 31.350 31.350 30.457 0.893 RESID 189 (Q): H 8.061 8.061 8.231 -0.170 RESID 190 (P): C 175.500 175.500 175.580 -0.080 RESID 190 (P): CA 62.820 62.820 62.345 0.475 RESID 190 (P): CB 35.450 35.450 32.633 2.817 RESID 191 (V): N 112.600 112.600 121.714 -9.114 RESID 191 (V): C 174.300 174.300 173.966 0.334 RESID 191 (V): CA 59.740 59.740 59.510 0.230 RESID 191 (V): CB 35.030 35.030 34.712 0.318 RESID 191 (V): H 9.214 9.214 8.576 0.638 RESID 192 (T): N 120.700 120.700 113.333 7.367 RESID 192 (T): C 172.300 172.300 172.081 0.219 RESID 192 (T): CA 63.030 63.030 59.523 3.507 RESID 192 (T): CB 71.550 71.550 71.252 0.298 RESID 192 (T): H 8.462 8.462 8.319 0.143 RESID 193 (A): N 132.900 132.900 122.986 9.914 RESID 193 (A): C 175.400 175.400 175.400 0.000 RESID 193 (A): CA 50.570 50.570 51.130 -0.560 RESID 193 (A): CB 21.140 21.140 21.424 -0.284 RESID 193 (A): H 10.170 10.170 8.558 1.612 RESID 194 (I): N 115.400 115.400 117.501 -2.101 RESID 194 (I): C 176.600 176.600 173.699 2.901 RESID 194 (I): CA 59.540 59.540 59.995 -0.455 RESID 194 (I): CB 43.930 43.930 42.115 1.815 RESID 194 (I): H 9.269 9.269 8.514 0.755 RESID 195 (V): N 118.500 118.500 122.811 -4.311 RESID 195 (V): C 176.200 176.200 174.069 2.131 RESID 195 (V): CA 63.190 63.190 61.386 1.804 RESID 195 (V): CB 34.870 34.870 34.689 0.181 RESID 195 (V): H 8.484 8.484 8.635 -0.151 RESID 196 (Y): N 132.200 132.200 129.489 2.711 RESID 196 (Y): C 174.700 174.700 174.151 0.549 RESID 196 (Y): CA 57.000 57.000 57.409 -0.409 RESID 196 (Y): CB 41.250 41.250 40.188 1.062 RESID 196 (Y): H 9.989 9.989 8.980 1.009 RESID 197 (T): N 124.900 124.900 123.418 1.482 RESID 197 (T): C 174.300 174.300 173.365 0.935 RESID 197 (T): CA 60.740 60.740 60.640 0.100 RESID 197 (T): CB 68.560 68.560 71.604 -3.044 RESID 197 (T): H 8.262 8.262 7.832 0.430 RESID 198 (A): N 130.500 130.500 130.783 -0.283 RESID 198 (A): C 180.400 180.400 179.233 1.167 RESID 198 (A): CA 55.510 55.510 54.362 1.148 RESID 198 (A): CB 18.480 18.480 18.402 0.078 RESID 198 (A): H 8.524 8.524 8.855 -0.331 RESID 199 (A): N 118.700 118.700 123.523 -4.823 RESID 199 (A): C 177.700 177.700 178.711 -1.011 RESID 199 (A): CA 54.350 54.350 54.860 -0.510 RESID 199 (A): CB 18.350 18.350 17.936 0.415 RESID 199 (A): H 8.578 8.578 8.286 0.292 RESID 200 (A): N 116.700 116.700 120.529 -3.829 RESID 200 (A): C 176.600 176.600 177.252 -0.652 RESID 200 (A): CA 51.290 51.290 52.062 -0.772 RESID 200 (A): CB 20.180 20.180 18.863 1.317 RESID 200 (A): H 6.638 6.638 8.101 -1.463 RESID 201 (H): N 116.900 116.900 116.547 0.353 RESID 201 (H): C 172.900 172.900 173.395 -0.495 RESID 201 (H): CA 56.710 56.710 56.331 0.379 RESID 201 (H): CB 27.820 27.820 28.269 -0.449 RESID 201 (H): H 7.569 7.569 7.794 -0.225 RESID 202 (S): N 110.500 110.500 114.473 -3.973 RESID 202 (S): C 171.500 171.500 171.459 0.041 RESID 202 (S): CA 56.530 56.530 57.602 -1.072 RESID 202 (S): CB 66.170 66.170 66.310 -0.140 RESID 202 (S): H 7.109 7.109 7.810 -0.701 RESID 203 (A): N 120.900 120.900 123.888 -2.988 RESID 203 (A): C 174.900 174.900 175.282 -0.382 RESID 203 (A): CA 50.890 50.890 51.421 -0.531 RESID 203 (A): CB 24.510 24.510 22.214 2.296 RESID 203 (A): H 8.618 8.618 8.302 0.316 RESID 204 (N): N 118.900 118.900 118.842 0.058 RESID 204 (N): C 173.300 173.300 173.458 -0.158 RESID 204 (N): CA 51.520 51.520 52.075 -0.555 RESID 204 (N): CB 40.080 40.080 42.163 -2.083 RESID 204 (N): H 8.333 8.333 8.224 0.109 RESID 205 (L): N 127.200 127.200 121.726 5.474 RESID 205 (L): C 175.700 175.700 175.560 0.140 RESID 205 (L): CA 54.920 54.920 54.068 0.852 RESID 205 (L): CB 44.180 44.180 42.659 1.521 RESID 205 (L): H 9.265 9.265 7.611 1.654 RESID 206 (W): N 125.300 125.300 123.596 1.704 RESID 206 (W): C 177.100 177.100 176.060 1.040 RESID 206 (W): CA 56.630 56.630 57.472 -0.842 RESID 206 (W): CB 29.690 29.690 30.889 -1.199 RESID 206 (W): H 8.560 8.560 7.929 0.631 RESID 207 (T): N 112.000 112.000 110.143 1.857 RESID 207 (T): C 176.100 176.100 173.176 2.924 RESID 207 (T): CA 60.120 60.120 59.138 0.982 RESID 207 (T): CB 68.540 68.540 70.495 -1.954 RESID 207 (T): H 8.029 8.029 8.133 -0.104 RESID 208 (P): C 176.000 176.000 176.848 -0.848 RESID 208 (P): CA 66.120 66.120 65.386 0.734 RESID 208 (P): CB 31.950 31.950 32.167 -0.217 RESID 209 (E): N 112.300 112.300 115.053 -2.753 RESID 209 (E): C 177.100 177.100 176.809 0.291 RESID 209 (E): CA 57.280 57.280 57.219 0.061 RESID 209 (E): CB 29.760 29.760 30.148 -0.388 RESID 209 (E): H 7.612 7.612 7.974 -0.362 RESID 210 (S): N 115.800 115.800 115.097 0.703 RESID 210 (S): C 173.900 173.900 175.526 -1.626 RESID 210 (S): CA 58.060 58.060 59.138 -1.078 RESID 210 (S): CB 67.320 67.320 64.482 2.838 RESID 210 (S): H 7.654 7.654 7.430 0.224 RESID 211 (A): N 125.200 125.200 127.394 -2.194 RESID 211 (A): C 180.600 180.600 179.853 0.747 RESID 211 (A): CA 55.410 55.410 55.318 0.092 RESID 211 (A): CB 18.530 18.530 18.754 -0.224 RESID 211 (A): H 8.874 8.874 9.024 -0.150 RESID 212 (Q): N 119.200 119.200 118.635 0.565 RESID 212 (Q): C 177.100 177.100 178.019 -0.919 RESID 212 (Q): CA 61.410 61.410 58.975 2.435 RESID 212 (Q): CB 27.090 27.090 27.419 -0.329 RESID 212 (Q): H 8.493 8.493 8.477 0.016 RESID 213 (G): N 107.500 107.500 107.628 -0.128 RESID 213 (G): C 175.400 175.400 176.319 -0.919 RESID 213 (G): CA 47.520 47.520 46.822 0.698 RESID 213 (G): H 8.053 8.053 8.297 -0.244 RESID 214 (Q): N 120.700 120.700 121.466 -0.766 RESID 214 (Q): C 179.000 179.000 178.384 0.616 RESID 214 (Q): CA 59.150 59.150 58.855 0.295 RESID 214 (Q): CB 29.110 29.110 28.694 0.416 RESID 214 (Q): H 8.501 8.501 8.085 0.416 RESID 215 (M): N 119.200 119.200 120.632 -1.432 RESID 215 (M): C 177.800 177.800 178.171 -0.371 RESID 215 (M): CA 59.760 59.760 59.648 0.112 RESID 215 (M): CB 32.050 32.050 32.847 -0.797 RESID 215 (M): H 7.878 7.878 8.198 -0.320 RESID 216 (L): N 115.800 115.800 118.790 -2.990 RESID 216 (L): C 179.900 179.900 179.035 0.865 RESID 216 (L): CA 58.160 58.160 57.644 0.516 RESID 216 (L): CB 40.010 40.010 41.455 -1.445 RESID 216 (L): H 7.517 7.517 7.963 -0.446 RESID 217 (E): N 121.000 121.000 119.656 1.344 RESID 217 (E): C 182.200 182.200 179.244 2.956 RESID 217 (E): CA 60.210 60.210 58.927 1.283 RESID 217 (E): CB 29.150 29.150 29.418 -0.268 RESID 217 (E): H 8.377 8.377 8.158 0.219 RESID 218 (Q): N 122.300 122.300 117.133 5.167 RESID 218 (Q): C 178.100 178.100 178.853 -0.753 RESID 218 (Q): CA 59.220 59.220 58.257 0.963 RESID 218 (Q): CB 28.850 28.850 29.103 -0.253 RESID 218 (Q): H 8.464 8.464 7.916 0.548 RESID 219 (L): N 118.400 118.400 117.669 0.731 RESID 219 (L): C 175.200 175.200 177.448 -2.248 RESID 219 (L): CA 55.880 55.880 57.222 -1.342 RESID 219 (L): CB 44.330 44.330 42.898 1.432 RESID 219 (L): H 7.433 7.433 7.750 -0.317 RESID 220 (G): N 104.600 104.600 102.680 1.920 RESID 220 (G): C 174.700 174.700 172.927 1.773 RESID 220 (G): CA 44.750 44.750 44.689 0.061 RESID 220 (G): H 7.777 7.777 8.162 -0.385 RESID 221 (F): N 119.100 119.100 118.957 0.143 RESID 221 (F): C 175.200 175.200 174.344 0.856 RESID 221 (F): CA 57.900 57.900 55.970 1.930 RESID 221 (F): CB 38.930 38.930 42.769 -3.839 RESID 221 (F): H 8.001 8.001 7.778 0.223 RESID 222 (T): N 117.600 117.600 116.039 1.561 RESID 222 (T): C 173.900 173.900 173.390 0.510 RESID 222 (T): CA 61.790 61.790 61.193 0.597 RESID 222 (T): CB 71.360 71.360 69.724 1.636 RESID 222 (T): H 8.961 8.961 8.568 0.393 RESID 223 (L): N 128.300 128.300 127.112 1.188 RESID 223 (L): C 178.300 178.300 176.652 1.648 RESID 223 (L): CA 54.760 54.760 53.405 1.355 RESID 223 (L): CB 41.600 41.600 42.747 -1.147 RESID 223 (L): H 9.269 9.269 8.198 1.071 RESID 224 (A): N 126.800 126.800 128.033 -1.233 RESID 224 (A): C 177.400 177.400 175.853 1.547 RESID 224 (A): CA 52.460 52.460 50.979 1.481 RESID 224 (A): CB 18.650 18.650 20.834 -2.184 RESID 224 (A): H 9.077 9.077 8.102 0.975 RESID 225 (K): N 123.400 123.400 121.251 2.149 RESID 225 (K): C 176.800 176.800 176.194 0.606 RESID 225 (K): CA 55.600 55.600 55.585 0.015 RESID 225 (K): CB 33.080 33.080 32.895 0.185 RESID 225 (K): H 8.601 8.601 8.366 0.235 RESID 226 (L): N 126.200 126.200 128.028 -1.828 RESID 226 (L): C 175.500 175.500 175.607 -0.107 RESID 226 (L): CA 53.420 53.420 53.952 -0.532 RESID 226 (L): CB 41.720 41.720 41.253 0.467 RESID 226 (L): H 8.634 8.634 8.519 0.115 RESID 227 (P): C 176.800 176.800 177.062 -0.262 RESID 227 (P): CA 62.860 62.860 62.887 -0.027 RESID 227 (P): CB 32.360 32.360 32.188 0.172 RESID 228 (A): N 124.900 124.900 124.806 0.094 RESID 228 (A): C 179.500 179.500 178.462 1.038 RESID 228 (A): CA 54.120 54.120 53.394 0.726 RESID 228 (A): CB 18.710 18.710 18.699 0.011 RESID 228 (A): H 8.412 8.412 8.510 -0.098 RESID 229 (G): N 107.700 107.700 107.485 0.215 RESID 229 (G): C 175.000 175.000 175.996 -0.996 RESID 229 (G): CA 46.040 46.040 45.429 0.611 RESID 229 (G): H 8.565 8.565 8.092 0.473 RESID 230 (L): N 121.100 121.100 122.343 -1.243 RESID 230 (L): C 176.900 176.900 178.336 -1.436 RESID 230 (L): CA 55.620 55.620 55.530 0.090 RESID 230 (L): CB 42.630 42.630 41.689 0.941 RESID 230 (L): H 7.454 7.454 7.883 -0.429 RESID 231 (N): N 119.400 119.400 119.840 -0.440 RESID 231 (N): C 175.300 175.300 175.909 -0.609 RESID 231 (N): CA 53.650 53.650 56.146 -2.496 RESID 231 (N): CB 38.940 38.940 37.997 0.943 RESID 231 (N): H 8.211 8.211 8.035 0.176 RESID 232 (A): N 124.500 124.500 119.578 4.922 RESID 232 (A): C 178.100 178.100 178.066 0.034 RESID 232 (A): CA 53.110 53.110 51.686 1.424 RESID 232 (A): CB 19.340 19.340 18.044 1.296 RESID 232 (A): H 8.103 8.103 7.926 0.177 RESID 233 (S): N 115.200 115.200 115.251 -0.051 RESID 233 (S): C 175.100 175.100 175.582 -0.482 RESID 233 (S): CA 59.280 59.280 61.003 -1.723 RESID 233 (S): CB 64.280 64.280 63.332 0.948 RESID 233 (S): H 8.169 8.169 8.447 -0.278 RESID 234 (Q): N 122.100 122.100 120.633 1.467 RESID 234 (Q): C 176.400 176.400 175.690 0.710 RESID 234 (Q): CA 56.240 56.240 56.068 0.172 RESID 234 (Q): CB 29.490 29.490 30.809 -1.319 RESID 234 (Q): H 8.230 8.230 7.787 0.443 RESID 235 (S): N 117.100 117.100 118.075 -0.975 RESID 235 (S): C 174.900 174.900 174.657 0.243 RESID 235 (S): CA 58.910 58.910 58.887 0.023 RESID 235 (S): CB 64.510 64.510 62.899 1.611 RESID 235 (S): H 8.229 8.229 8.439 -0.210 RESID 236 (Q): N 122.300 122.300 127.140 -4.840 RESID 236 (Q): C 176.700 176.700 175.439 1.261 RESID 236 (Q): CA 56.610 56.610 55.492 1.118 RESID 236 (Q): CB 29.280 29.280 27.639 1.641 RESID 236 (Q): H 8.372 8.372 8.867 -0.495 RESID 237 (G): N 110.400 110.400 109.024 1.376 RESID 237 (G): C 174.100 174.100 172.961 1.139 RESID 237 (G): CA 45.720 45.720 45.473 0.247 RESID 237 (G): H 8.381 8.381 7.577 0.804 RESID 238 (K): N 120.500 120.500 121.479 -0.979 RESID 238 (K): C 176.600 176.600 175.492 1.108 RESID 238 (K): CA 56.490 56.490 56.007 0.484 RESID 238 (K): CB 33.320 33.320 32.761 0.559 RESID 238 (K): H 7.968 7.968 8.357 -0.389 RESID 239 (R): N 120.900 120.900 124.989 -4.089 RESID 239 (R): CA 56.130 56.130 55.942 0.188 RESID 239 (R): CB 31.560 31.560 30.905 0.655 RESID 239 (R): H 8.159 8.159 8.504 -0.345 RESID 240 (H): C 174.800 174.800 176.533 -1.733 RESID 240 (H): CA 55.740 55.740 58.620 -2.880 RESID 240 (H): CB 29.760 29.760 30.066 -0.306 RESID 241 (D): N 119.800 119.800 119.232 0.568 RESID 241 (D): C 174.700 174.700 176.273 -1.573 RESID 241 (D): CA 55.500 55.500 55.997 -0.497 RESID 241 (D): CB 40.550 40.550 41.224 -0.674 RESID 241 (D): H 9.052 9.052 8.395 0.657 RESID 242 (I): N 115.200 115.200 114.963 0.237 RESID 242 (I): C 175.600 175.600 174.389 1.211 RESID 242 (I): CA 59.090 59.090 59.396 -0.306 RESID 242 (I): CB 43.670 43.670 40.922 2.748 RESID 242 (I): H 7.087 7.087 7.411 -0.324 RESID 243 (I): N 125.100 125.100 126.047 -0.947 RESID 243 (I): C 175.300 175.300 174.269 1.031 RESID 243 (I): CA 60.340 60.340 60.641 -0.301 RESID 243 (I): CB 41.290 41.290 38.364 2.926 RESID 243 (I): H 8.746 8.746 8.527 0.219 RESID 244 (Q): N 128.400 128.400 127.534 0.866 RESID 244 (Q): C 175.300 175.300 174.254 1.046 RESID 244 (Q): CA 56.460 56.460 54.930 1.530 RESID 244 (Q): CB 29.800 29.800 29.785 0.015 RESID 244 (Q): H 8.768 8.768 8.595 0.173 RESID 245 (L): N 125.500 125.500 123.512 1.988 RESID 245 (L): C 176.200 176.200 176.609 -0.409 RESID 245 (L): CA 53.790 53.790 53.113 0.677 RESID 245 (L): CB 45.100 45.100 44.860 0.240 RESID 245 (L): H 8.640 8.640 8.343 0.297 RESID 246 (G): N 109.700 109.700 105.055 4.645 RESID 246 (G): C 174.200 174.200 174.327 -0.127 RESID 246 (G): CA 44.590 44.590 45.032 -0.442 RESID 246 (G): H 8.424 8.424 8.443 -0.019 RESID 247 (G): N 108.500 108.500 108.653 -0.153 RESID 247 (G): C 176.800 176.800 174.979 1.821 RESID 247 (G): CA 47.500 47.500 44.356 3.144 RESID 247 (G): H 8.666 8.666 7.737 0.929 RESID 248 (E): N 123.700 123.700 121.145 2.555 RESID 248 (E): C 177.300 177.300 176.520 0.780 RESID 248 (E): CA 58.560 58.560 57.500 1.060 RESID 248 (E): CB 29.330 29.330 29.233 0.097 RESID 248 (E): H 9.265 9.265 8.809 0.456 RESID 249 (N): N 116.700 116.700 116.440 0.260 RESID 249 (N): C 175.500 175.500 175.997 -0.497 RESID 249 (N): CA 53.490 53.490 53.662 -0.172 RESID 249 (N): CB 39.390 39.390 38.740 0.650 RESID 249 (N): H 7.963 7.963 7.620 0.343 RESID 250 (L): N 121.100 121.100 119.936 1.164 RESID 250 (L): C 177.100 177.100 178.098 -0.998 RESID 250 (L): CA 58.810 58.810 57.009 1.801 RESID 250 (L): CB 42.220 42.220 41.467 0.753 RESID 250 (L): H 7.104 7.104 7.794 -0.690 RESID 251 (A): N 117.400 117.400 122.425 -5.025 RESID 251 (A): C 179.500 179.500 178.163 1.337 RESID 251 (A): CA 55.340 55.340 54.655 0.685 RESID 251 (A): CB 17.960 17.960 18.391 -0.431 RESID 251 (A): H 8.141 8.141 8.313 -0.172 RESID 252 (A): N 117.400 117.400 118.602 -1.202 RESID 252 (A): C 179.100 179.100 178.321 0.779 RESID 252 (A): CA 53.990 53.990 52.384 1.606 RESID 252 (A): CB 18.970 18.970 18.970 0.000 RESID 252 (A): H 7.375 7.375 8.408 -1.033 RESID 253 (G): N 100.600 100.600 107.913 -7.313 RESID 253 (G): C 172.700 172.700 174.802 -2.102 RESID 253 (G): CA 45.380 45.380 45.020 0.360 RESID 253 (G): H 7.589 7.589 7.559 0.030 RESID 254 (L): N 124.800 124.800 122.848 1.952 RESID 254 (L): C 175.300 175.300 177.585 -2.285 RESID 254 (L): CA 53.020 53.020 54.856 -1.836 RESID 254 (L): CB 39.090 39.090 42.102 -3.012 RESID 254 (L): H 7.202 7.202 7.788 -0.586 RESID 255 (N): N 113.800 113.800 121.505 -7.705 RESID 255 (N): C 176.600 176.600 176.251 0.349 RESID 255 (N): CA 53.420 53.420 54.012 -0.592 RESID 255 (N): CB 37.600 37.600 38.821 -1.221 RESID 255 (N): H 7.701 7.701 8.843 -1.142 RESID 256 (G): N 109.100 109.100 106.577 2.523 RESID 256 (G): C 172.200 172.200 174.562 -2.362 RESID 256 (G): CA 45.790 45.790 45.348 0.442 RESID 256 (G): H 7.856 7.856 8.556 -0.700 RESID 257 (E): N 120.100 120.100 118.262 1.838 RESID 257 (E): C 176.900 176.900 175.533 1.367 RESID 257 (E): CA 57.880 57.880 56.497 1.383 RESID 257 (E): CB 29.760 29.760 30.505 -0.745 RESID 257 (E): H 8.443 8.443 8.656 -0.213 RESID 258 (S): N 107.500 107.500 113.457 -5.957 RESID 258 (S): C 172.500 172.500 172.548 -0.048 RESID 258 (S): CA 58.010 58.010 59.007 -0.997 RESID 258 (S): CB 66.360 66.360 63.846 2.514 RESID 258 (S): H 7.176 7.176 7.945 -0.769 RESID 259 (L): N 124.900 124.900 127.672 -2.772 RESID 259 (L): C 173.900 173.900 176.425 -2.525 RESID 259 (L): CA 53.630 53.630 54.552 -0.922 RESID 259 (L): CB 46.240 46.240 42.489 3.752 RESID 259 (L): H 8.969 8.969 8.010 0.959 RESID 260 (F): N 123.700 123.700 123.044 0.656 RESID 260 (F): C 174.200 174.200 176.030 -1.830 RESID 260 (F): CA 56.460 56.460 54.971 1.489 RESID 260 (F): CB 41.560 41.560 40.445 1.115 RESID 260 (F): H 9.295 9.295 8.139 1.156 RESID 261 (L): N 123.900 123.900 120.163 3.737 RESID 261 (L): C 177.600 177.600 177.086 0.514 RESID 261 (L): CA 54.010 54.010 53.182 0.827 RESID 261 (L): CB 41.470 41.470 45.516 -4.046 RESID 261 (L): H 9.034 9.034 8.173 0.861 RESID 262 (F): N 123.800 123.800 122.245 1.555 RESID 262 (F): C 175.500 175.500 175.811 -0.311 RESID 262 (F): CA 58.850 58.850 56.968 1.882 RESID 262 (F): CB 39.930 39.930 38.482 1.448 RESID 262 (F): H 9.338 9.338 9.104 0.234 RESID 263 (A): N 121.900 121.900 124.107 -2.207 RESID 263 (A): C 175.300 175.300 177.027 -1.727 RESID 263 (A): CA 53.630 53.630 52.649 0.981 RESID 263 (A): CB 19.700 19.700 16.808 2.892 RESID 263 (A): H 8.902 8.902 8.268 0.634 RESID 264 (G): N 104.500 104.500 111.566 -7.066 RESID 264 (G): C 171.100 171.100 172.727 -1.627 RESID 264 (G): CA 45.540 45.540 45.059 0.481 RESID 264 (G): H 6.746 6.746 7.885 -1.139 RESID 265 (D): N 122.300 122.300 122.671 -0.371 RESID 265 (D): C 177.300 177.300 177.265 0.035 RESID 265 (D): CA 51.660 51.660 52.771 -1.111 RESID 265 (D): CB 42.840 42.840 42.264 0.576 RESID 265 (D): H 9.052 9.052 8.115 0.937 RESID 266 (Q): N 118.400 118.400 119.593 -1.193 RESID 266 (Q): C 177.600 177.600 177.455 0.145 RESID 266 (Q): CA 58.620 58.620 59.065 -0.445 RESID 266 (Q): CB 28.490 28.490 28.648 -0.158 RESID 266 (Q): H 8.277 8.277 8.604 -0.327 RESID 267 (K): N 117.700 117.700 118.751 -1.051 RESID 267 (K): C 180.400 180.400 178.081 2.319 RESID 267 (K): CA 59.390 59.390 59.545 -0.155 RESID 267 (K): CB 31.440 31.440 31.787 -0.347 RESID 267 (K): H 7.879 7.879 7.923 -0.044 RESID 268 (D): N 121.600 121.600 119.664 1.936 RESID 268 (D): C 177.400 177.400 178.339 -0.939 RESID 268 (D): CA 57.980 57.980 56.975 1.005 RESID 268 (D): CB 41.550 41.550 40.250 1.300 RESID 268 (D): H 7.640 7.640 8.110 -0.470 RESID 269 (A): N 121.700 121.700 121.468 0.232 RESID 269 (A): C 179.000 179.000 178.418 0.582 RESID 269 (A): CA 55.640 55.640 54.924 0.716 RESID 269 (A): CB 17.490 17.490 18.191 -0.701 RESID 269 (A): H 7.370 7.370 7.623 -0.253 RESID 270 (D): N 118.200 118.200 117.938 0.262 RESID 270 (D): C 179.300 179.300 176.511 2.789 RESID 270 (D): CA 57.570 57.570 56.302 1.268 RESID 270 (D): CB 39.860 39.860 40.249 -0.389 RESID 270 (D): H 8.735 8.735 7.951 0.784 RESID 271 (A): N 122.900 122.900 119.899 3.001 RESID 271 (A): C 180.800 180.800 179.326 1.474 RESID 271 (A): CA 55.040 55.040 53.571 1.469 RESID 271 (A): CB 18.300 18.300 19.318 -1.018 RESID 271 (A): H 7.579 7.579 7.037 0.542 RESID 272 (I): N 0.000 0.000 120.459 -120.459 RESID 272 (I): C 178.300 178.300 176.946 1.354 RESID 272 (I): CA 63.880 63.880 64.660 -0.780 RESID 272 (I): CB 35.710 35.710 38.129 -2.418 RESID 272 (I): H 7.340 7.340 8.400 -1.060 RESID 273 (Y): N 116.300 116.300 116.981 -0.681 RESID 273 (Y): C 177.000 177.000 176.779 0.221 RESID 273 (Y): CA 61.100 61.100 58.300 2.800 RESID 273 (Y): CB 37.770 37.770 35.834 1.936 RESID 273 (Y): H 7.509 7.509 7.292 0.217 RESID 274 (A): N 118.600 118.600 121.824 -3.224 RESID 274 (A): C 177.200 177.200 177.192 0.008 RESID 274 (A): CA 52.030 52.030 53.001 -0.971 RESID 274 (A): CB 19.580 19.580 19.418 0.162 RESID 274 (A): H 7.495 7.495 7.827 -0.332 RESID 275 (N): N 119.900 119.900 118.248 1.652 RESID 275 (N): C 175.700 175.700 174.012 1.688 RESID 275 (N): CA 51.030 51.030 51.342 -0.312 RESID 275 (N): CB 38.590 38.590 37.039 1.551 RESID 275 (N): H 7.200 7.200 7.959 -0.759 RESID 276 (P): C 178.900 178.900 178.501 0.399 RESID 276 (P): CA 65.190 65.190 65.472 -0.282 RESID 276 (P): CB 32.440 32.440 32.039 0.401 RESID 277 (L): N 116.700 116.700 117.409 -0.709 RESID 277 (L): C 178.000 178.000 178.912 -0.912 RESID 277 (L): CA 56.630 56.630 57.552 -0.922 RESID 277 (L): CB 41.720 41.720 41.505 0.215 RESID 277 (L): H 7.777 7.777 7.929 -0.152 RESID 278 (L): N 115.100 115.100 116.583 -1.483 RESID 278 (L): C 176.600 176.600 177.874 -1.274 RESID 278 (L): CA 53.200 53.200 54.943 -1.743 RESID 278 (L): CB 40.960 40.960 41.304 -0.344 RESID 278 (L): H 7.485 7.485 7.679 -0.194 RESID 279 (A): N 118.600 118.600 123.087 -4.487 RESID 279 (A): C 177.700 177.700 177.802 -0.102 RESID 279 (A): CA 55.090 55.090 54.367 0.723 RESID 279 (A): CB 19.710 19.710 18.602 1.108 RESID 279 (A): H 6.665 6.665 7.912 -1.247 RESID 280 (H): N 111.600 111.600 115.283 -3.683 RESID 280 (H): C 175.500 175.500 175.204 0.296 RESID 280 (H): CA 55.360 55.360 56.245 -0.885 RESID 280 (H): CB 29.540 29.540 28.646 0.894 RESID 280 (H): H 8.337 8.337 8.192 0.145 RESID 281 (L): N 124.100 124.100 122.508 1.592 RESID 281 (L): C 176.300 176.300 175.871 0.429 RESID 281 (L): CA 53.330 53.330 52.961 0.370 RESID 281 (L): CB 40.490 40.490 41.940 -1.450 RESID 281 (L): H 7.289 7.289 7.445 -0.156 RESID 282 (P): C 178.200 178.200 178.379 -0.179 RESID 282 (P): CA 66.050 66.050 65.688 0.362 RESID 282 (P): CB 32.150 32.150 31.723 0.427 RESID 283 (A): N 116.000 116.000 119.224 -3.224 RESID 283 (A): C 179.000 179.000 179.842 -0.842 RESID 283 (A): CA 55.630 55.630 55.196 0.434 RESID 283 (A): CB 19.490 19.490 18.183 1.307 RESID 283 (A): H 7.969 7.969 8.425 -0.456 RESID 284 (V): N 115.200 115.200 118.488 -3.288 RESID 284 (V): C 180.000 180.000 178.930 1.070 RESID 284 (V): CA 65.640 65.640 65.886 -0.246 RESID 284 (V): CB 32.560 32.560 30.819 1.742 RESID 284 (V): H 6.557 6.557 7.680 -1.123 RESID 285 (Q): N 121.200 121.200 120.435 0.765 RESID 285 (Q): C 178.000 178.000 177.654 0.346 RESID 285 (Q): CA 59.500 59.500 58.794 0.706 RESID 285 (Q): CB 29.080 29.080 28.611 0.469 RESID 285 (Q): H 8.581 8.581 7.812 0.769 RESID 286 (N): N 112.600 112.600 113.996 -1.396 RESID 286 (N): C 174.500 174.500 173.858 0.642 RESID 286 (N): CA 53.160 53.160 52.727 0.433 RESID 286 (N): CB 38.390 38.390 38.737 -0.347 RESID 286 (N): H 8.117 8.117 8.053 0.064 RESID 287 (K): N 118.500 118.500 115.899 2.601 RESID 287 (K): C 176.100 176.100 176.221 -0.121 RESID 287 (K): CA 57.540 57.540 57.306 0.234 RESID 287 (K): CB 28.570 28.570 29.547 -0.977 RESID 287 (K): H 7.724 7.724 7.684 0.040 RESID 288 (Q): N 119.700 119.700 117.148 2.552 RESID 288 (Q): C 173.700 173.700 174.075 -0.375 RESID 288 (Q): CA 52.970 52.970 54.834 -1.864 RESID 288 (Q): CB 28.640 28.640 28.973 -0.333 RESID 288 (Q): H 8.895 8.895 8.424 0.471 RESID 289 (V): N 119.200 119.200 118.681 0.519 RESID 289 (V): C 175.100 175.100 175.119 -0.019 RESID 289 (V): CA 61.600 61.600 61.152 0.448 RESID 289 (V): CB 32.610 32.610 33.959 -1.349 RESID 289 (V): H 6.246 6.246 6.906 -0.660 RESID 290 (Y): N 125.700 125.700 124.616 1.084 RESID 290 (Y): C 174.100 174.100 174.356 -0.256 RESID 290 (Y): CA 56.830 56.830 56.454 0.376 RESID 290 (Y): CB 40.950 40.950 42.749 -1.799 RESID 290 (Y): H 8.682 8.682 8.999 -0.317 RESID 291 (A): N 126.900 126.900 122.025 4.875 RESID 291 (A): C 178.300 178.300 176.736 1.564 RESID 291 (A): CA 51.560 51.560 50.389 1.171 RESID 291 (A): CB 19.670 19.670 21.252 -1.582 RESID 291 (A): H 9.057 9.057 8.652 0.405 RESID 292 (L): N 120.800 120.800 119.822 0.978 RESID 292 (L): C 175.500 175.500 176.232 -0.732 RESID 292 (L): CA 54.880 54.880 54.251 0.629 RESID 292 (L): CB 42.490 42.490 42.271 0.219 RESID 292 (L): H 8.342 8.342 8.925 -0.583 RESID 293 (G): N 107.500 107.500 103.833 3.667 RESID 293 (G): C 177.600 177.600 174.108 3.492 RESID 293 (G): CA 45.110 45.110 44.428 0.682 RESID 293 (G): H 7.973 7.973 7.383 0.590 RESID 294 (T): N 117.800 117.800 116.745 1.055 RESID 294 (T): C 176.400 176.400 176.023 0.377 RESID 294 (T): CA 65.260 65.260 65.229 0.031 RESID 294 (T): CB 68.310 68.310 69.160 -0.850 RESID 294 (T): H 8.808 8.808 8.572 0.236 RESID 295 (E): N 122.100 122.100 119.912 2.188 RESID 295 (E): C 177.700 177.700 176.589 1.111 RESID 295 (E): CA 58.540 58.540 58.321 0.219 RESID 295 (E): CB 29.010 29.010 28.776 0.234 RESID 295 (E): H 10.380 10.380 8.844 1.536 RESID 296 (T): N 103.000 103.000 108.596 -5.596 RESID 296 (T): C 173.600 173.600 174.310 -0.710 RESID 296 (T): CA 62.320 62.320 61.233 1.087 RESID 296 (T): CB 69.170 69.170 67.761 1.409 RESID 296 (T): H 7.062 7.062 7.913 -0.851 RESID 297 (F): N 121.500 121.500 123.013 -1.513 RESID 297 (F): C 174.500 174.500 175.866 -1.366 RESID 297 (F): CA 61.700 61.700 61.069 0.631 RESID 297 (F): CB 39.640 39.640 39.794 -0.154 RESID 297 (F): H 8.108 8.108 7.773 0.335 RESID 298 (R): N 116.800 116.800 119.798 -2.998 RESID 298 (R): C 176.000 176.000 175.112 0.888 RESID 298 (R): CA 54.160 54.160 55.803 -1.643 RESID 298 (R): CB 32.460 32.460 31.110 1.351 RESID 298 (R): H 7.552 7.552 8.275 -0.723 RESID 299 (L): N 125.500 125.500 126.534 -1.034 RESID 299 (L): C 174.800 174.800 174.395 0.405 RESID 299 (L): CA 54.300 54.300 53.966 0.334 RESID 299 (L): CB 41.670 41.670 44.125 -2.455 RESID 299 (L): H 8.903 8.903 8.421 0.482 RESID 300 (D): N 124.600 124.600 123.479 1.121 RESID 300 (D): C 173.400 173.400 175.637 -2.237 RESID 300 (D): CA 51.880 51.880 53.297 -1.417 RESID 300 (D): CB 43.230 43.230 42.584 0.645 RESID 300 (D): H 7.735 7.735 8.713 -0.978 RESID 301 (Y): N 118.100 118.100 121.510 -3.410 RESID 301 (Y): C 175.300 175.300 176.212 -0.912 RESID 301 (Y): CA 61.650 61.650 63.337 -1.687 RESID 301 (Y): CB 38.740 38.740 38.706 0.034 RESID 301 (Y): H 7.943 7.943 9.012 -1.069 RESID 302 (Y): N 112.300 112.300 115.559 -3.259 RESID 302 (Y): C 180.800 180.800 177.671 3.129 RESID 302 (Y): CA 61.970 61.970 60.971 0.999 RESID 302 (Y): CB 37.990 37.990 38.005 -0.015 RESID 302 (Y): H 7.309 7.309 8.122 -0.813 RESID 303 (S): N 119.100 119.100 115.612 3.488 RESID 303 (S): C 176.300 176.300 176.505 -0.205 RESID 303 (S): CA 60.690 60.690 61.486 -0.796 RESID 303 (S): CB 63.180 63.180 62.657 0.523 RESID 303 (S): H 9.411 9.411 9.455 -0.044 RESID 304 (A): N 126.900 126.900 124.944 1.956 RESID 304 (A): C 180.400 180.400 179.361 1.039 RESID 304 (A): CA 56.000 56.000 55.308 0.692 RESID 304 (A): CB 18.040 18.040 17.835 0.205 RESID 304 (A): H 8.860 8.860 7.955 0.905 RESID 305 (M): N 116.600 116.600 118.001 -1.401 RESID 305 (M): C 179.300 179.300 178.824 0.476 RESID 305 (M): CA 57.880 57.880 59.538 -1.658 RESID 305 (M): CB 31.350 31.350 32.133 -0.783 RESID 305 (M): H 7.346 7.346 7.608 -0.262 RESID 306 (Q): N 119.300 119.300 118.810 0.490 RESID 306 (Q): C 179.000 179.000 178.838 0.162 RESID 306 (Q): CA 59.410 59.410 58.882 0.528 RESID 306 (Q): CB 28.450 28.450 28.828 -0.378 RESID 306 (Q): H 7.633 7.633 7.759 -0.126 RESID 308 (L): C 178.700 178.700 178.492 0.208 RESID 308 (L): CA 58.690 58.690 58.422 0.268 RESID 308 (L): CB 41.790 41.790 41.383 0.407 RESID 309 (D): N 119.100 119.100 119.055 0.045 RESID 309 (D): C 179.600 179.600 178.881 0.719 RESID 309 (D): CA 57.830 57.830 57.542 0.288 RESID 309 (D): CB 40.820 40.820 40.337 0.483 RESID 309 (D): H 7.984 7.984 8.023 -0.039 RESID 310 (R): N 121.700 121.700 120.622 1.078 RESID 310 (R): C 178.900 178.900 178.728 0.172 RESID 310 (R): CA 58.590 58.590 59.193 -0.603 RESID 310 (R): CB 29.820 29.820 30.150 -0.330 RESID 310 (R): H 8.463 8.463 7.599 0.864 RESID 311 (L): N 119.200 119.200 119.902 -0.702 RESID 311 (L): C 178.800 178.800 178.722 0.078 RESID 311 (L): CA 58.380 58.380 58.106 0.274 RESID 311 (L): CB 42.340 42.340 41.840 0.500 RESID 311 (L): H 8.489 8.489 8.321 0.168 RESID 312 (K): N 116.500 116.500 118.734 -2.234 RESID 312 (K): C 178.000 178.000 178.403 -0.403 RESID 312 (K): CA 59.250 59.250 59.175 0.075 RESID 312 (K): CB 32.440 32.440 32.491 -0.051 RESID 312 (K): H 7.955 7.955 8.173 -0.218 RESID 313 (A): N 119.500 119.500 120.742 -1.242 RESID 313 (A): C 180.000 180.000 178.686 1.314 RESID 313 (A): CA 53.920 53.920 53.301 0.619 RESID 313 (A): CB 18.800 18.800 19.242 -0.442 RESID 313 (A): H 7.427 7.427 7.739 -0.312 RESID 314 (L): N 119.500 119.500 119.165 0.335 RESID 314 (L): C 177.400 177.400 176.456 0.944 RESID 314 (L): CA 56.770 56.770 57.235 -0.465 RESID 314 (L): CB 43.730 43.730 42.352 1.378 RESID 314 (L): H 7.431 7.431 8.121 -0.690 N HA C CA CB H RESID 26 (W): -3.381 ----- -0.876 0.391 3.267 0.129 RESID 27 (P): ----- ----- -0.004 -0.302 4.943 ----- RESID 28 (R): -3.866 ----- -1.398 0.735 0.761 0.074 RESID 29 (Q): -0.848 ----- 0.591 -1.253 1.446 -0.078 RESID 30 (I): -1.807 ----- 0.574 -0.933 -0.472 1.082 RESID 31 (T): 3.175 ----- 0.730 -1.337 1.055 0.586 RESID 32 (D): 5.661 ----- 1.436 0.811 -0.491 1.403 RESID 33 (S): -4.408 ----- -0.575 0.431 -0.390 -0.215 RESID 34 (R): -2.391 ----- -0.629 -3.661 0.173 0.485 RESID 35 (G): 5.159 ----- -2.252 -0.501 ----- -0.758 RESID 36 (T): 0.151 ----- 0.780 0.025 -0.080 0.583 RESID 37 (H): 0.486 ----- 0.719 -1.269 -2.016 0.359 RESID 38 (T): 4.479 ----- 1.392 2.114 -1.251 1.616 RESID 39 (L): 7.211 ----- 0.098 0.513 -0.918 0.470 RESID 40 (E): -1.638 ----- -0.318 0.306 0.485 0.135 RESID 41 (S): -1.851 ----- -1.483 -0.888 0.593 -0.157 RESID 42 (Q): 3.272 ----- -0.153 -2.023 0.549 -1.269 RESID 43 (P): ----- ----- -0.323 0.767 0.099 ----- RESID 44 (Q): 2.552 ----- -0.601 -1.524 2.857 2.619 RESID 45 (R): 8.319 ----- 0.490 0.098 -0.050 2.465 RESID 47 (V): ----- ----- 0.237 -0.256 -0.160 ----- RESID 48 (S): -1.832 ----- 1.641 -1.991 -1.626 -0.732 RESID 49 (T): 4.278 ----- -3.047 0.965 -0.403 -0.324 RESID 50 (S): -0.301 ----- -0.639 -2.002 -0.176 -0.112 RESID 51 (V): 5.250 ----- -2.742 -0.419 -0.216 0.188 RESID 52 (T): 0.843 ----- 3.329 0.532 0.493 -0.200 RESID 53 (L): 1.452 ----- 0.518 -0.765 0.841 -0.498 RESID 54 (T): 1.778 ----- -1.737 -0.653 ----- -0.093 RESID 55 (G): -4.034 ----- -0.510 0.179 ----- -1.311 RESID 56 (S): -0.927 ----- -1.246 2.056 2.285 -1.267 RESID 58 (L): ----- ----- 1.778 -0.272 -0.111 ----- RESID 59 (A): -0.780 ----- -0.277 0.732 -0.300 -0.316 RESID 60 (I): ----- ----- -1.551 0.163 0.408 ----- RESID 61 (D): -2.496 ----- 0.240 0.051 -0.036 -0.014 RESID 62 (A): -3.205 ----- 2.700 -0.822 -1.651 0.113 RESID 63 (P): ----- ----- -2.103 0.613 -4.701 ----- RESID 64 (V): 3.671 ----- -0.897 -1.461 -0.764 0.437 RESID 65 (I): -4.451 ----- 1.534 -3.013 1.268 0.245 RESID 66 (A): 4.235 ----- -0.120 0.671 1.475 -0.416 RESID 67 (S): -5.112 ----- 2.321 -2.038 -2.409 0.225 RESID 68 (G): 5.574 ----- -1.616 2.041 ----- -1.101 RESID 69 (A): -3.779 ----- 2.793 -1.213 2.069 -0.760 RESID 70 (T): 6.215 ----- -2.322 -2.697 0.998 1.062 RESID 71 (T): -5.031 ----- -0.441 0.140 1.528 -0.777 RESID 72 (P): ----- ----- 0.972 -0.185 0.726 ----- RESID 73 (N): -4.485 ----- -1.613 0.730 -1.438 -0.704 RESID 74 (N): ----- ----- -0.459 5.210 0.435 ----- RESID 75 (R): -5.694 ----- -0.338 1.267 1.029 -0.281 RESID 76 (V): -10.419 ----- 0.061 -2.910 2.041 -0.833 RESID 77 (A): 5.989 ----- -1.116 -1.067 5.096 0.726 RESID 78 (D): 1.796 ----- 2.213 -0.922 0.367 0.430 RESID 79 (D): 0.880 ----- 0.290 1.066 0.890 -0.150 RESID 80 (Q): -4.316 ----- -1.181 -1.517 2.397 -0.185 RESID 81 (G): 0.003 ----- 0.845 0.954 ----- -0.643 RESID 82 (F): 0.571 ----- -0.440 -4.234 -2.611 0.297 RESID 83 (L): ----- ----- 0.970 0.337 -3.462 ----- RESID 84 (R): 0.371 ----- 0.788 3.519 1.657 -0.690 RESID 85 (Q): -2.613 ----- -2.758 0.302 -3.132 1.808 RESID 86 (W): -6.514 ----- -1.953 -5.175 -2.231 -1.506 RESID 87 (S): 3.924 ----- 1.456 0.466 ----- -1.300 RESID 88 (K): -3.924 ----- 0.172 0.457 -0.092 0.956 RESID 89 (V): 6.318 ----- 0.777 0.096 0.512 -0.623 RESID 90 (A): -0.473 ----- 1.049 1.306 1.312 0.645 RESID 91 (K): -0.419 ----- 3.012 0.989 -0.017 -0.288 RESID 92 (E): 5.047 ----- 1.506 2.284 -0.651 0.477 RESID 93 (R): -3.147 ----- 0.320 0.799 -1.515 -0.271 RESID 94 (K): 1.767 ----- 0.679 -0.651 -1.419 -0.700 RESID 95 (L): -1.061 ----- 0.299 0.730 1.031 0.063 RESID 96 (Q): 0.434 ----- -0.950 0.642 0.332 -0.872 RESID 97 (R): 6.441 ----- 0.593 -1.002 1.627 0.506 RESID 98 (L): 3.470 ----- -0.410 2.417 3.350 -0.425 RESID 99 (Y): -1.963 ----- -1.393 -0.843 -0.976 -1.356 RESID 100 (I): -4.375 ----- -0.309 -1.464 3.099 -0.118 RESID 101 (G): 1.031 ----- -0.616 2.216 ----- -0.248 RESID 102 (E): 10.916 ----- -0.771 0.489 2.043 0.291 RESID 103 (P): ----- ----- -0.833 -1.374 -0.085 ----- RESID 104 (S): -5.234 ----- 0.162 -3.158 -0.050 -2.560 RESID 105 (A): 0.232 ----- 0.350 0.758 -0.906 0.335 RESID 106 (E): 0.354 ----- 0.442 1.239 -0.473 0.147 RESID 107 (A): -0.513 ----- 0.364 -0.286 0.783 -0.148 RESID 108 (V): -1.945 ----- -0.805 0.963 -0.302 -0.497 RESID 109 (A): -1.433 ----- 1.880 0.621 -0.139 0.147 RESID 110 (A): -0.744 ----- 0.249 -0.245 -0.025 -0.321 RESID 111 (Q): -1.103 ----- -1.069 0.884 -0.137 -0.290 RESID 112 (M): -6.108 ----- 0.065 0.369 -1.435 -0.051 RESID 113 (P): ----- ----- 0.448 0.209 0.411 ----- RESID 114 (D): -2.213 ----- -0.086 -2.099 -1.823 0.617 RESID 115 (L): ----- ----- 0.612 -1.401 ----- ----- RESID 116 (I): -2.820 ----- ----- -0.101 ----- 1.332 RESID 118 (I): ----- ----- -0.969 0.426 0.991 ----- RESID 119 (S): 0.470 ----- 0.589 -0.573 0.667 1.042 RESID 120 (A): 1.586 ----- -0.470 -0.049 1.524 -0.508 RESID 121 (T): -4.142 ----- -0.098 -2.451 1.607 -0.214 RESID 122 (G): -6.463 ----- 3.073 -0.765 ----- 0.156 RESID 123 (G): ----- ----- -0.212 1.039 ----- ----- RESID 124 (D): -2.412 ----- 0.978 -0.589 0.039 0.823 RESID 125 (S): -4.094 ----- 1.661 0.078 0.137 -1.104 RESID 126 (A): 4.749 ----- -1.953 -2.349 -2.234 0.258 RESID 127 (L): -0.058 ----- 0.529 1.482 1.234 -0.807 RESID 128 (A): 3.387 ----- 0.739 0.805 -0.496 1.282 RESID 129 (L): 0.642 ----- -0.883 -1.247 -0.383 0.361 RESID 130 (Y): -0.907 ----- 0.313 1.510 1.052 -1.093 RESID 131 (D): 1.241 ----- -0.176 0.595 0.334 0.907 RESID 132 (Q): -1.176 ----- 0.288 0.128 0.595 -0.186 RESID 133 (L): -0.304 ----- -0.707 0.345 -0.815 -0.452 RESID 134 (S): -3.241 ----- -0.503 0.321 0.789 -0.333 RESID 135 (T): -5.232 ----- -1.173 -2.039 0.657 -0.644 RESID 136 (I): 3.957 ----- 0.251 -0.053 0.350 0.417 RESID 137 (A): 1.958 ----- -1.616 -0.145 -0.140 -0.478 RESID 138 (P): ----- ----- -1.454 1.232 -0.257 ----- RESID 139 (T): 2.111 ----- -0.036 -1.303 1.980 0.007 RESID 140 (L): ----- ----- 0.593 -0.785 0.680 ----- RESID 141 (I): -2.334 ----- 1.122 -1.007 1.119 1.431 RESID 142 (I): 1.906 ----- 0.211 -1.955 -2.243 0.174 RESID 143 (N): 4.988 ----- 0.440 -1.854 0.049 0.732 RESID 144 (Y): -5.546 ----- 1.782 -3.559 -0.263 0.244 RESID 145 (D): 0.776 ----- 1.739 -0.178 3.338 0.432 RESID 146 (D): 3.895 ----- -0.092 -0.366 -1.633 -1.063 RESID 147 (K): -5.716 ----- -0.272 -1.536 -1.797 -0.548 RESID 148 (S): -0.480 ----- -0.386 -0.060 0.737 0.218 RESID 149 (W): 1.702 ----- 2.054 1.324 -0.724 -0.128 RESID 150 (Q): 3.197 ----- 0.267 3.370 -1.197 1.609 RESID 151 (S): 1.114 ----- 0.594 0.533 0.637 0.079 RESID 152 (L): 2.467 ----- 0.563 0.379 0.298 0.056 RESID 153 (L): 0.580 ----- 1.035 1.414 -0.101 0.931 RESID 154 (T): 3.473 ----- 0.304 1.303 0.521 0.144 RESID 155 (Q): 3.463 ----- 1.163 1.363 0.241 0.273 RESID 156 (L): ----- ----- 1.631 0.613 -0.128 ----- RESID 157 (G): 5.836 ----- -0.545 1.796 ----- 1.203 RESID 158 (E): 4.777 ----- 0.602 1.225 0.301 0.025 RESID 160 (T): ----- ----- 2.292 -1.169 2.612 ----- RESID 161 (G): -1.494 ----- 0.195 1.422 ----- -0.857 RESID 162 (H): 4.892 ----- -2.286 -0.684 -3.037 0.752 RESID 163 (E): 1.780 ----- 2.309 1.359 -0.397 1.544 RESID 164 (K): 1.629 ----- -0.026 -0.482 0.115 0.391 RESID 165 (Q): 1.650 ----- 0.433 2.194 -0.251 -0.257 RESID 166 (A): -1.327 ----- -1.425 1.308 0.220 -0.301 RESID 167 (A): -3.043 ----- 1.883 -0.158 -0.311 -1.105 RESID 168 (E): 1.531 ----- 0.467 0.000 0.450 0.313 RESID 170 (I): ----- ----- 0.007 1.583 1.355 ----- RESID 171 (A): -2.484 ----- 1.366 -0.353 0.151 -0.775 RESID 172 (Q): 2.558 ----- 0.617 0.697 -0.258 0.638 RESID 173 (F): -0.092 ----- -1.013 1.596 0.364 -0.295 RESID 174 (D): 0.863 ----- 1.410 0.540 -0.095 -0.267 RESID 175 (K): 1.071 ----- 1.163 -0.016 0.312 -0.088 RESID 176 (Q): 2.096 ----- 0.763 -0.479 -0.534 0.342 RESID 177 (L): 5.999 ----- -0.271 2.659 -0.162 1.205 RESID 178 (A): -1.086 ----- 1.376 0.188 0.094 -0.583 RESID 179 (A): -0.774 ----- 0.741 0.354 -0.414 0.056 RESID 180 (A): 0.025 ----- 0.088 0.761 -0.305 0.187 RESID 181 (K): 0.163 ----- -0.104 0.623 0.697 0.018 RESID 182 (E): -2.078 ----- -0.113 0.745 1.107 -0.517 RESID 183 (Q): -0.680 ----- 1.038 0.248 0.410 -0.180 RESID 184 (I): 1.933 ----- 0.957 3.250 0.339 0.296 RESID 185 (K): 4.967 ----- 0.279 -0.494 -2.775 0.808 RESID 186 (L): -0.659 ----- -0.125 2.084 0.262 -0.518 RESID 188 (P): ----- ----- -1.451 1.464 0.986 ----- RESID 189 (Q): 0.730 ----- 1.701 -2.391 0.893 -0.170 RESID 190 (P): ----- ----- -0.080 0.475 2.817 ----- RESID 191 (V): -9.114 ----- 0.334 0.230 0.318 0.638 RESID 192 (T): 7.367 ----- 0.219 3.507 0.298 0.143 RESID 193 (A): 9.914 ----- 0.000 -0.560 -0.284 1.612 RESID 194 (I): -2.101 ----- 2.901 -0.455 1.815 0.755 RESID 195 (V): -4.311 ----- 2.131 1.804 0.181 -0.151 RESID 196 (Y): 2.711 ----- 0.549 -0.409 1.062 1.009 RESID 197 (T): 1.482 ----- 0.935 0.100 -3.044 0.430 RESID 198 (A): -0.283 ----- 1.167 1.148 0.078 -0.331 RESID 199 (A): -4.823 ----- -1.011 -0.510 0.415 0.292 RESID 200 (A): -3.829 ----- -0.652 -0.772 1.317 -1.463 RESID 201 (H): 0.353 ----- -0.495 0.379 -0.449 -0.225 RESID 202 (S): -3.973 ----- 0.041 -1.072 -0.140 -0.701 RESID 203 (A): -2.988 ----- -0.382 -0.531 2.296 0.316 RESID 204 (N): 0.058 ----- -0.158 -0.555 -2.083 0.109 RESID 205 (L): 5.474 ----- 0.140 0.852 1.521 1.654 RESID 206 (W): 1.704 ----- 1.040 -0.842 -1.199 0.631 RESID 207 (T): 1.857 ----- 2.924 0.982 -1.954 -0.104 RESID 208 (P): ----- ----- -0.848 0.734 -0.217 ----- RESID 209 (E): -2.753 ----- 0.291 0.061 -0.388 -0.362 RESID 210 (S): 0.703 ----- -1.626 -1.078 2.838 0.224 RESID 211 (A): -2.194 ----- 0.747 0.092 -0.224 -0.150 RESID 212 (Q): 0.565 ----- -0.919 2.435 -0.329 0.016 RESID 213 (G): -0.128 ----- -0.919 0.698 ----- -0.244 RESID 214 (Q): -0.766 ----- 0.616 0.295 0.416 0.416 RESID 215 (M): -1.432 ----- -0.371 0.112 -0.797 -0.320 RESID 216 (L): -2.990 ----- 0.865 0.516 -1.445 -0.446 RESID 217 (E): 1.344 ----- 2.956 1.283 -0.268 0.219 RESID 218 (Q): 5.167 ----- -0.753 0.963 -0.253 0.548 RESID 219 (L): 0.731 ----- -2.248 -1.342 1.432 -0.317 RESID 220 (G): 1.920 ----- 1.773 0.061 ----- -0.385 RESID 221 (F): 0.143 ----- 0.856 1.930 -3.839 0.223 RESID 222 (T): 1.561 ----- 0.510 0.597 1.636 0.393 RESID 223 (L): 1.188 ----- 1.648 1.355 -1.147 1.071 RESID 224 (A): -1.233 ----- 1.547 1.481 -2.184 0.975 RESID 225 (K): 2.149 ----- 0.606 0.015 0.185 0.235 RESID 226 (L): -1.828 ----- -0.107 -0.532 0.467 0.115 RESID 227 (P): ----- ----- -0.262 -0.027 0.172 ----- RESID 228 (A): 0.094 ----- 1.038 0.726 0.011 -0.098 RESID 229 (G): 0.215 ----- -0.996 0.611 ----- 0.473 RESID 230 (L): -1.243 ----- -1.436 0.090 0.941 -0.429 RESID 231 (N): -0.440 ----- -0.609 -2.496 0.943 0.176 RESID 232 (A): 4.922 ----- 0.034 1.424 1.296 0.177 RESID 233 (S): -0.051 ----- -0.482 -1.723 0.948 -0.278 RESID 234 (Q): 1.467 ----- 0.710 0.172 -1.319 0.443 RESID 235 (S): -0.975 ----- 0.243 0.023 1.611 -0.210 RESID 236 (Q): -4.840 ----- 1.261 1.118 1.641 -0.495 RESID 237 (G): 1.376 ----- 1.139 0.247 ----- 0.804 RESID 238 (K): -0.979 ----- 1.108 0.484 0.559 -0.389 RESID 239 (R): -4.089 ----- ----- 0.188 0.655 -0.345 RESID 240 (H): ----- ----- -1.733 -2.880 -0.306 ----- RESID 241 (D): 0.568 ----- -1.573 -0.497 -0.674 0.657 RESID 242 (I): 0.237 ----- 1.211 -0.306 2.748 -0.324 RESID 243 (I): -0.947 ----- 1.031 -0.301 2.926 0.219 RESID 244 (Q): 0.866 ----- 1.046 1.530 0.015 0.173 RESID 245 (L): 1.988 ----- -0.409 0.677 0.240 0.297 RESID 246 (G): 4.645 ----- -0.127 -0.442 ----- -0.019 RESID 247 (G): -0.153 ----- 1.821 3.144 ----- 0.929 RESID 248 (E): 2.555 ----- 0.780 1.060 0.097 0.456 RESID 249 (N): 0.260 ----- -0.497 -0.172 0.650 0.343 RESID 250 (L): 1.164 ----- -0.998 1.801 0.753 -0.690 RESID 251 (A): -5.025 ----- 1.337 0.685 -0.431 -0.172 RESID 252 (A): -1.202 ----- 0.779 1.606 0.000 -1.033 RESID 253 (G): -7.313 ----- -2.102 0.360 ----- 0.030 RESID 254 (L): 1.952 ----- -2.285 -1.836 -3.012 -0.586 RESID 255 (N): -7.705 ----- 0.349 -0.592 -1.221 -1.142 RESID 256 (G): 2.523 ----- -2.362 0.442 ----- -0.700 RESID 257 (E): 1.838 ----- 1.367 1.383 -0.745 -0.213 RESID 258 (S): -5.957 ----- -0.048 -0.997 2.514 -0.769 RESID 259 (L): -2.772 ----- -2.525 -0.922 3.752 0.959 RESID 260 (F): 0.656 ----- -1.830 1.489 1.115 1.156 RESID 261 (L): 3.737 ----- 0.514 0.827 -4.046 0.861 RESID 262 (F): 1.555 ----- -0.311 1.882 1.448 0.234 RESID 263 (A): -2.207 ----- -1.727 0.981 2.892 0.634 RESID 264 (G): -7.066 ----- -1.627 0.481 ----- -1.139 RESID 265 (D): -0.371 ----- 0.035 -1.111 0.576 0.937 RESID 266 (Q): -1.193 ----- 0.145 -0.445 -0.158 -0.327 RESID 267 (K): -1.051 ----- 2.319 -0.155 -0.347 -0.044 RESID 268 (D): 1.936 ----- -0.939 1.005 1.300 -0.470 RESID 269 (A): 0.232 ----- 0.582 0.716 -0.701 -0.253 RESID 270 (D): 0.262 ----- 2.789 1.268 -0.389 0.784 RESID 271 (A): 3.001 ----- 1.474 1.469 -1.018 0.542 RESID 272 (I): -120.459 ----- 1.354 -0.780 -2.418 -1.060 RESID 273 (Y): -0.681 ----- 0.221 2.800 1.936 0.217 RESID 274 (A): -3.224 ----- 0.008 -0.971 0.162 -0.332 RESID 275 (N): 1.652 ----- 1.688 -0.312 1.551 -0.759 RESID 276 (P): ----- ----- 0.399 -0.282 0.401 ----- RESID 277 (L): -0.709 ----- -0.912 -0.922 0.215 -0.152 RESID 278 (L): -1.483 ----- -1.274 -1.743 -0.344 -0.194 RESID 279 (A): -4.487 ----- -0.102 0.723 1.108 -1.247 RESID 280 (H): -3.683 ----- 0.296 -0.885 0.894 0.145 RESID 281 (L): 1.592 ----- 0.429 0.370 -1.450 -0.156 RESID 282 (P): ----- ----- -0.179 0.362 0.427 ----- RESID 283 (A): -3.224 ----- -0.842 0.434 1.307 -0.456 RESID 284 (V): -3.288 ----- 1.070 -0.246 1.742 -1.123 RESID 285 (Q): 0.765 ----- 0.346 0.706 0.469 0.769 RESID 286 (N): -1.396 ----- 0.642 0.433 -0.347 0.064 RESID 287 (K): 2.601 ----- -0.121 0.234 -0.977 0.040 RESID 288 (Q): 2.552 ----- -0.375 -1.864 -0.333 0.471 RESID 289 (V): 0.519 ----- -0.019 0.448 -1.349 -0.660 RESID 290 (Y): 1.084 ----- -0.256 0.376 -1.799 -0.317 RESID 291 (A): 4.875 ----- 1.564 1.171 -1.582 0.405 RESID 292 (L): 0.978 ----- -0.732 0.629 0.219 -0.583 RESID 293 (G): 3.667 ----- 3.492 0.682 ----- 0.590 RESID 294 (T): 1.055 ----- 0.377 0.031 -0.850 0.236 RESID 295 (E): 2.188 ----- 1.111 0.219 0.234 1.536 RESID 296 (T): -5.596 ----- -0.710 1.087 1.409 -0.851 RESID 297 (F): -1.513 ----- -1.366 0.631 -0.154 0.335 RESID 298 (R): -2.998 ----- 0.888 -1.643 1.351 -0.723 RESID 299 (L): -1.034 ----- 0.405 0.334 -2.455 0.482 RESID 300 (D): 1.121 ----- -2.237 -1.417 0.645 -0.978 RESID 301 (Y): -3.410 ----- -0.912 -1.687 0.034 -1.069 RESID 302 (Y): -3.259 ----- 3.129 0.999 -0.015 -0.813 RESID 303 (S): 3.488 ----- -0.205 -0.796 0.523 -0.044 RESID 304 (A): 1.956 ----- 1.039 0.692 0.205 0.905 RESID 305 (M): -1.401 ----- 0.476 -1.658 -0.783 -0.262 RESID 306 (Q): 0.490 ----- 0.162 0.528 -0.378 -0.126 RESID 308 (L): ----- ----- 0.208 0.268 0.407 ----- RESID 309 (D): 0.045 ----- 0.719 0.288 0.483 -0.039 RESID 310 (R): 1.078 ----- 0.172 -0.603 -0.330 0.864 RESID 311 (L): -0.702 ----- 0.078 0.274 0.500 0.168 RESID 312 (K): -2.234 ----- -0.403 0.075 -0.051 -0.218 RESID 313 (A): -1.242 ----- 1.314 0.619 -0.442 -0.312 RESID 314 (L): 0.335 ----- 0.944 -0.465 1.378 -0.690 DATA CS_STAT_INFO N RMS: 8.229 ppm Count: 256 Average Difference: 0.453 +/- 8.232 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.223 ppm Count: 281 Average Difference: -0.162 +/- 1.215 ppm DATA CS_STAT_INFO CA RMS: 1.339 ppm Count: 283 Average Difference: -0.101 +/- 1.337 ppm DATA CS_STAT_INFO CB RMS: 1.420 ppm Count: 260 Average Difference: -0.154 +/- 1.415 ppm DATA CS_STAT_INFO HN RMS: 0.713 ppm Count: 256 Average Difference: -0.022 +/- 0.714 ppm ############################################################################ For conformer 27: Atom Original Corrected SPARTA Difference RESID 25 (D): N 120.600 120.600 120.777 -0.177 RESID 25 (D): C 174.400 174.400 175.909 -1.509 RESID 25 (D): CA 55.230 55.230 53.061 2.169 RESID 25 (D): CB 41.340 41.340 41.909 -0.569 RESID 25 (D): H 8.275 8.275 8.211 0.064 RESID 26 (W): N 120.100 120.100 123.609 -3.509 RESID 26 (W): C 174.200 174.200 175.077 -0.877 RESID 26 (W): CA 55.330 55.330 54.990 0.340 RESID 26 (W): CB 31.090 31.090 27.841 3.248 RESID 26 (W): H 7.788 7.788 7.580 0.208 RESID 27 (P): C 175.900 175.900 175.898 0.002 RESID 27 (P): CA 62.800 62.800 63.093 -0.293 RESID 27 (P): CB 37.260 37.260 32.316 4.944 RESID 28 (R): N 118.000 118.000 121.849 -3.849 RESID 28 (R): C 173.700 173.700 175.094 -1.394 RESID 28 (R): CA 55.160 55.160 54.438 0.722 RESID 28 (R): CB 33.430 33.430 32.672 0.758 RESID 28 (R): H 8.686 8.686 8.621 0.065 RESID 29 (Q): N 120.800 120.800 121.612 -0.812 RESID 29 (Q): C 175.500 175.500 174.906 0.594 RESID 29 (Q): CA 54.780 54.780 56.041 -1.261 RESID 29 (Q): CB 30.700 30.700 29.270 1.430 RESID 29 (Q): H 8.506 8.506 8.590 -0.084 RESID 30 (I): N 124.300 124.300 126.111 -1.811 RESID 30 (I): C 175.700 175.700 175.061 0.639 RESID 30 (I): CA 58.520 58.520 59.434 -0.914 RESID 30 (I): CB 40.680 40.680 41.214 -0.534 RESID 30 (I): H 9.002 9.002 7.931 1.071 RESID 31 (T): N 125.200 125.200 122.029 3.171 RESID 31 (T): C 174.400 174.400 173.662 0.738 RESID 31 (T): CA 62.150 62.150 63.460 -1.310 RESID 31 (T): CB 70.640 70.640 69.592 1.048 RESID 31 (T): H 8.989 8.989 8.404 0.585 RESID 32 (D): N 129.500 129.500 123.844 5.656 RESID 32 (D): C 177.400 177.400 176.003 1.397 RESID 32 (D): CA 52.630 52.630 51.798 0.832 RESID 32 (D): CB 42.950 42.950 43.412 -0.462 RESID 32 (D): H 9.389 9.389 7.991 1.398 RESID 33 (S): N 111.900 111.900 116.369 -4.469 RESID 33 (S): C 175.600 175.600 176.172 -0.572 RESID 33 (S): CA 60.920 60.920 60.547 0.373 RESID 33 (S): CB 63.430 63.430 63.807 -0.377 RESID 33 (S): H 8.075 8.075 8.295 -0.220 RESID 34 (R): N 120.600 120.600 122.967 -2.367 RESID 34 (R): C 176.100 176.100 176.741 -0.641 RESID 34 (R): CA 55.020 55.020 58.664 -3.644 RESID 34 (R): CB 30.850 30.850 30.661 0.189 RESID 34 (R): H 8.433 8.433 8.060 0.373 RESID 35 (G): N 108.900 108.900 103.761 5.139 RESID 35 (G): C 171.200 171.200 173.451 -2.251 RESID 35 (G): CA 45.060 45.060 45.575 -0.515 RESID 35 (G): H 7.837 7.837 8.602 -0.765 RESID 36 (T): N 116.300 116.300 116.165 0.135 RESID 36 (T): C 173.800 173.800 173.000 0.800 RESID 36 (T): CA 62.670 62.670 62.634 0.036 RESID 36 (T): CB 70.000 70.000 70.124 -0.124 RESID 36 (T): H 8.192 8.192 7.601 0.591 RESID 37 (H): N 125.800 125.800 125.340 0.460 RESID 37 (H): C 174.000 174.000 173.265 0.735 RESID 37 (H): CA 54.060 54.060 55.365 -1.305 RESID 37 (H): CB 31.020 31.020 33.026 -2.006 RESID 37 (H): H 8.986 8.986 8.627 0.359 RESID 38 (T): N 121.500 121.500 117.432 4.068 RESID 38 (T): C 174.200 174.200 172.840 1.360 RESID 38 (T): CA 63.190 63.190 61.088 2.102 RESID 38 (T): CB 70.080 70.080 71.306 -1.226 RESID 38 (T): H 9.101 9.101 7.570 1.531 RESID 39 (L): N 129.600 129.600 122.437 7.163 RESID 39 (L): C 176.900 176.900 176.804 0.096 RESID 39 (L): CA 53.990 53.990 53.474 0.516 RESID 39 (L): CB 43.160 43.160 44.043 -0.883 RESID 39 (L): H 9.145 9.145 8.704 0.441 RESID 40 (E): N 124.300 124.300 125.966 -1.666 RESID 40 (E): C 175.600 175.600 175.916 -0.316 RESID 40 (E): CA 59.420 59.420 59.095 0.325 RESID 40 (E): CB 30.710 30.710 30.230 0.480 RESID 40 (E): H 9.164 9.164 9.031 0.133 RESID 41 (S): N 108.300 108.300 110.179 -1.879 RESID 41 (S): C 171.700 171.700 173.181 -1.481 RESID 41 (S): CA 56.270 56.270 57.182 -0.912 RESID 41 (S): CB 65.420 65.420 64.813 0.607 RESID 41 (S): H 7.326 7.326 7.483 -0.157 RESID 42 (Q): N 123.900 123.900 120.604 3.296 RESID 42 (Q): C 174.600 174.600 174.758 -0.158 RESID 42 (Q): CA 53.730 53.730 55.734 -2.004 RESID 42 (Q): CB 28.470 28.470 27.936 0.534 RESID 42 (Q): H 7.339 7.339 8.601 -1.262 RESID 43 (P): C 176.300 176.300 176.699 -0.399 RESID 43 (P): CA 64.080 64.080 63.304 0.776 RESID 43 (P): CB 32.510 32.510 32.434 0.076 RESID 44 (Q): N 125.100 125.100 122.457 2.643 RESID 44 (Q): C 175.400 175.400 176.051 -0.651 RESID 44 (Q): CA 55.780 55.780 57.315 -1.535 RESID 44 (Q): CB 32.660 32.660 29.748 2.912 RESID 44 (Q): H 11.160 11.160 8.569 2.591 RESID 45 (R): N 125.700 125.700 117.503 8.197 RESID 45 (R): C 174.600 174.600 174.100 0.500 RESID 45 (R): CA 55.310 55.310 55.244 0.066 RESID 45 (R): CB 33.070 33.070 33.047 0.023 RESID 45 (R): H 10.010 10.010 7.567 2.443 RESID 47 (V): C 174.700 174.700 174.445 0.255 RESID 47 (V): CA 60.970 60.970 61.218 -0.248 RESID 47 (V): CB 34.140 34.140 34.409 -0.269 RESID 48 (S): N 118.300 118.300 120.216 -1.916 RESID 48 (S): C 175.500 175.500 173.799 1.701 RESID 48 (S): CA 55.700 55.700 57.764 -2.064 RESID 48 (S): CB 64.750 64.750 66.399 -1.649 RESID 48 (S): H 7.852 7.852 8.595 -0.743 RESID 49 (T): N 116.800 116.800 112.520 4.280 RESID 49 (T): C 171.500 171.500 174.457 -2.957 RESID 49 (T): CA 62.400 62.400 61.426 0.974 RESID 49 (T): CB 69.320 69.320 69.746 -0.425 RESID 49 (T): H 8.283 8.283 8.603 -0.320 RESID 50 (S): N 116.200 116.200 116.790 -0.590 RESID 50 (S): C 174.600 174.600 175.152 -0.552 RESID 50 (S): CA 54.640 54.640 56.768 -2.128 RESID 50 (S): CB 64.000 64.000 63.951 0.049 RESID 50 (S): H 7.627 7.627 7.739 -0.112 RESID 51 (V): N 134.300 134.300 129.327 4.973 RESID 51 (V): C 175.100 175.100 177.833 -2.733 RESID 51 (V): CA 65.620 65.620 65.869 -0.249 RESID 51 (V): CB 31.790 31.790 31.901 -0.111 RESID 51 (V): H 9.218 9.218 9.039 0.179 RESID 52 (T): N 117.000 117.000 116.453 0.547 RESID 52 (T): C 179.700 179.700 176.530 3.170 RESID 52 (T): CA 67.390 67.390 66.226 1.164 RESID 52 (T): CB 69.130 69.130 68.567 0.563 RESID 52 (T): H 7.841 7.841 8.006 -0.165 RESID 53 (L): N 123.400 123.400 122.333 1.067 RESID 53 (L): C 178.700 178.700 178.394 0.306 RESID 53 (L): CA 57.460 57.460 58.227 -0.767 RESID 53 (L): CB 42.610 42.610 41.783 0.827 RESID 53 (L): H 8.092 8.092 8.665 -0.573 RESID 54 (T): N 117.500 117.500 115.734 1.766 RESID 54 (T): C 174.900 174.900 176.646 -1.746 RESID 54 (T): CA 67.070 67.070 67.728 -0.658 RESID 54 (T): H 8.039 8.039 8.138 -0.099 RESID 55 (G): N 105.500 105.500 109.197 -3.697 RESID 55 (G): C 175.600 175.600 175.788 -0.188 RESID 55 (G): CA 47.260 47.260 46.957 0.303 RESID 55 (G): H 6.591 6.591 7.869 -1.278 RESID 56 (S): N 117.000 117.000 117.780 -0.780 RESID 56 (S): C 175.600 175.600 176.754 -1.154 RESID 56 (S): CA 63.400 63.400 61.479 1.921 RESID 56 (S): CB 65.060 65.060 63.090 1.970 RESID 56 (S): H 6.709 6.709 7.965 -1.256 RESID 58 (L): C 181.200 181.200 179.425 1.775 RESID 58 (L): CA 57.480 57.480 57.776 -0.296 RESID 58 (L): CB 40.810 40.810 40.910 -0.100 RESID 59 (A): N 122.100 122.100 122.843 -0.743 RESID 59 (A): C 178.500 178.500 178.803 -0.303 RESID 59 (A): CA 55.540 55.540 54.800 0.740 RESID 59 (A): CB 18.440 18.440 18.756 -0.316 RESID 59 (A): H 7.797 7.797 8.110 -0.313 RESID 60 (I): C 172.700 172.700 174.246 -1.546 RESID 60 (I): CA 60.390 60.390 60.238 0.152 RESID 60 (I): CB 37.930 37.930 37.479 0.451 RESID 61 (D): N 116.200 116.200 118.524 -2.324 RESID 61 (D): C 174.800 174.800 174.556 0.244 RESID 61 (D): CA 55.850 55.850 55.806 0.044 RESID 61 (D): CB 38.930 38.930 38.955 -0.025 RESID 61 (D): H 7.736 7.736 7.739 -0.003 RESID 62 (A): N 118.900 118.900 122.104 -3.204 RESID 62 (A): C 176.800 176.800 174.180 2.620 RESID 62 (A): CA 50.040 50.040 51.127 -1.087 RESID 62 (A): CB 17.940 17.940 19.665 -1.725 RESID 62 (A): H 7.820 7.820 7.673 0.147 RESID 63 (P): C 173.600 173.600 175.756 -2.156 RESID 63 (P): CA 63.250 63.250 62.845 0.405 RESID 63 (P): CB 27.640 27.640 32.530 -4.890 RESID 64 (V): N 123.100 123.100 119.147 3.953 RESID 64 (V): C 174.800 174.800 175.729 -0.929 RESID 64 (V): CA 58.420 58.420 59.874 -1.454 RESID 64 (V): CB 33.300 33.300 34.117 -0.817 RESID 64 (V): H 8.299 8.299 7.865 0.434 RESID 65 (I): N 122.000 122.000 126.296 -4.296 RESID 65 (I): C 177.100 177.100 175.546 1.554 RESID 65 (I): CA 61.010 61.010 64.007 -2.997 RESID 65 (I): CB 39.480 39.480 38.205 1.275 RESID 65 (I): H 8.589 8.589 8.368 0.221 RESID 66 (A): N 120.700 120.700 116.409 4.291 RESID 66 (A): C 175.100 175.100 175.181 -0.081 RESID 66 (A): CA 51.300 51.300 50.664 0.636 RESID 66 (A): CB 22.980 22.980 21.516 1.464 RESID 66 (A): H 7.246 7.246 7.653 -0.407 RESID 67 (S): N 111.700 111.700 116.750 -5.050 RESID 67 (S): C 176.500 176.500 174.256 2.244 RESID 67 (S): CA 55.230 55.230 57.320 -2.090 RESID 67 (S): CB 65.300 65.300 67.723 -2.423 RESID 67 (S): H 8.561 8.561 8.316 0.245 RESID 68 (G): N 112.900 112.900 107.276 5.624 RESID 68 (G): C 171.000 171.000 172.615 -1.615 RESID 68 (G): CA 46.580 46.580 44.520 2.060 RESID 68 (G): H 7.604 7.604 8.658 -1.054 RESID 69 (A): N 122.300 122.300 125.959 -3.659 RESID 69 (A): C 177.900 177.900 175.179 2.721 RESID 69 (A): CA 51.280 51.280 52.441 -1.161 RESID 69 (A): CB 23.440 23.440 21.361 2.079 RESID 69 (A): H 7.402 7.402 8.224 -0.822 RESID 70 (T): N 119.600 119.600 113.896 5.704 RESID 70 (T): C 171.400 171.400 174.122 -2.722 RESID 70 (T): CA 58.150 58.150 61.291 -3.141 RESID 70 (T): CB 70.880 70.880 69.865 1.015 RESID 70 (T): H 9.171 9.171 8.084 1.087 RESID 71 (T): N 116.500 116.500 121.677 -5.177 RESID 71 (T): C 172.500 172.500 172.919 -0.419 RESID 71 (T): CA 61.680 61.680 61.631 0.049 RESID 71 (T): CB 70.490 70.490 68.947 1.544 RESID 71 (T): H 7.663 7.663 8.470 -0.807 RESID 72 (P): C 177.100 177.100 176.119 0.981 RESID 72 (P): CA 63.390 63.390 63.600 -0.210 RESID 72 (P): CB 32.940 32.940 32.202 0.738 RESID 73 (N): N 115.200 115.200 119.759 -4.559 RESID 73 (N): C 174.600 174.600 176.212 -1.612 RESID 73 (N): CA 54.570 54.570 53.838 0.732 RESID 73 (N): CB 37.020 37.020 38.465 -1.445 RESID 73 (N): H 7.990 7.990 8.690 -0.700 RESID 74 (N): C 175.800 175.800 176.915 -1.115 RESID 74 (N): CA 60.660 60.660 55.634 5.026 RESID 74 (N): CB 38.070 38.070 37.716 0.354 RESID 75 (R): N 114.600 114.600 120.858 -6.258 RESID 75 (R): C 177.400 177.400 177.549 -0.149 RESID 75 (R): CA 59.940 59.940 58.832 1.108 RESID 75 (R): CB 31.110 31.110 30.073 1.037 RESID 75 (R): H 8.049 8.049 8.324 -0.275 RESID 76 (V): N 107.100 107.100 117.476 -10.376 RESID 76 (V): C 176.000 176.000 175.921 0.079 RESID 76 (V): CA 61.110 61.110 64.010 -2.900 RESID 76 (V): CB 33.590 33.590 31.549 2.041 RESID 76 (V): H 7.356 7.356 8.185 -0.829 RESID 77 (A): N 126.900 126.900 120.956 5.944 RESID 77 (A): C 176.500 176.500 177.604 -1.104 RESID 77 (A): CA 51.390 51.390 52.432 -1.042 RESID 77 (A): CB 24.260 24.260 19.152 5.108 RESID 77 (A): H 7.873 7.873 7.145 0.728 RESID 78 (D): N 118.700 118.700 116.942 1.758 RESID 78 (D): C 178.100 178.100 175.902 2.198 RESID 78 (D): CA 51.970 51.970 52.919 -0.949 RESID 78 (D): CB 41.360 41.360 40.999 0.361 RESID 78 (D): H 8.607 8.607 8.178 0.429 RESID 79 (D): N 116.600 116.600 115.763 0.837 RESID 79 (D): C 176.400 176.400 176.117 0.283 RESID 79 (D): CA 56.030 56.030 54.950 1.080 RESID 79 (D): CB 40.100 40.100 39.221 0.879 RESID 79 (D): H 8.258 8.258 8.425 -0.167 RESID 80 (Q): N 117.200 117.200 121.554 -4.354 RESID 80 (Q): C 175.700 175.700 176.885 -1.185 RESID 80 (Q): CA 54.970 54.970 56.489 -1.519 RESID 80 (Q): CB 30.840 30.840 28.424 2.416 RESID 80 (Q): H 8.160 8.160 8.344 -0.184 RESID 81 (G): N 105.300 105.300 105.299 0.001 RESID 81 (G): C 174.200 174.200 173.340 0.860 RESID 81 (G): CA 45.740 45.740 44.795 0.945 RESID 81 (G): H 7.419 7.419 8.067 -0.648 RESID 82 (F): N 121.700 121.700 121.073 0.627 RESID 82 (F): C 175.300 175.300 175.733 -0.433 RESID 82 (F): CA 52.530 52.530 56.781 -4.250 RESID 82 (F): CB 37.430 37.430 40.057 -2.627 RESID 82 (F): H 8.154 8.154 7.847 0.307 RESID 83 (L): C 178.400 178.400 177.446 0.954 RESID 83 (L): CA 55.550 55.550 55.199 0.351 RESID 83 (L): CB 38.480 38.480 41.967 -3.487 RESID 84 (R): N 119.000 119.000 118.696 0.304 RESID 84 (R): C 178.300 178.300 177.549 0.751 RESID 84 (R): CA 60.690 60.690 57.252 3.438 RESID 84 (R): CB 31.530 31.530 29.880 1.650 RESID 84 (R): H 7.746 7.746 8.436 -0.690 RESID 85 (Q): N 116.400 116.400 118.992 -2.592 RESID 85 (Q): C 174.700 174.700 177.377 -2.677 RESID 85 (Q): CA 58.200 58.200 58.005 0.195 RESID 85 (Q): CB 26.140 26.140 29.306 -3.166 RESID 85 (Q): H 9.838 9.838 7.971 1.867 RESID 86 (W): N 115.600 115.600 122.116 -6.516 RESID 86 (W): C 175.900 175.900 177.687 -1.787 RESID 86 (W): CA 55.320 55.320 60.397 -5.077 RESID 86 (W): CB 27.470 27.470 29.541 -2.071 RESID 86 (W): H 6.600 6.600 8.542 -1.942 RESID 87 (S): N 118.500 118.500 114.776 3.724 RESID 87 (S): C 177.300 177.300 175.847 1.453 RESID 87 (S): CA 62.340 62.340 61.739 0.601 RESID 87 (S): H 7.067 7.067 8.317 -1.250 RESID 88 (K): N 118.300 118.300 122.228 -3.928 RESID 88 (K): C 179.000 179.000 178.824 0.176 RESID 88 (K): CA 59.970 59.970 59.495 0.475 RESID 88 (K): CB 32.380 32.380 32.468 -0.088 RESID 88 (K): H 8.615 8.615 7.624 0.991 RESID 89 (V): N 120.600 120.600 114.264 6.336 RESID 89 (V): C 178.100 178.100 177.304 0.796 RESID 89 (V): CA 65.530 65.530 65.441 0.089 RESID 89 (V): CB 32.180 32.180 31.680 0.500 RESID 89 (V): H 7.089 7.089 7.783 -0.694 RESID 90 (A): N 120.700 120.700 121.117 -0.417 RESID 90 (A): C 180.000 180.000 178.917 1.083 RESID 90 (A): CA 55.490 55.490 54.116 1.374 RESID 90 (A): CB 19.130 19.130 17.689 1.442 RESID 90 (A): H 7.979 7.979 7.298 0.681 RESID 91 (K): N 117.600 117.600 118.016 -0.416 RESID 91 (K): C 180.900 180.900 177.875 3.025 RESID 91 (K): CA 59.830 59.830 58.833 0.997 RESID 91 (K): CB 32.700 32.700 32.696 0.004 RESID 91 (K): H 7.844 7.844 8.101 -0.257 RESID 92 (E): N 122.300 122.300 117.190 5.110 RESID 92 (E): C 178.600 178.600 177.097 1.503 RESID 92 (E): CA 59.590 59.590 57.295 2.295 RESID 92 (E): CB 29.740 29.740 30.421 -0.681 RESID 92 (E): H 8.178 8.178 7.700 0.478 RESID 93 (R): N 115.300 115.300 118.446 -3.146 RESID 93 (R): C 175.000 175.000 174.668 0.332 RESID 93 (R): CA 56.320 56.320 55.528 0.792 RESID 93 (R): CB 29.390 29.390 30.929 -1.539 RESID 93 (R): H 7.776 7.776 8.055 -0.279 RESID 94 (K): N 116.800 116.800 115.027 1.773 RESID 94 (K): C 176.400 176.400 175.740 0.660 RESID 94 (K): CA 56.950 56.950 57.605 -0.654 RESID 94 (K): CB 28.870 28.870 30.295 -1.425 RESID 94 (K): H 7.697 7.697 8.397 -0.700 RESID 95 (L): N 120.600 120.600 121.707 -1.107 RESID 95 (L): C 177.200 177.200 176.910 0.290 RESID 95 (L): CA 56.710 56.710 55.962 0.748 RESID 95 (L): CB 43.480 43.480 42.448 1.032 RESID 95 (L): H 7.708 7.708 7.626 0.082 RESID 96 (Q): N 124.900 124.900 124.524 0.376 RESID 96 (Q): C 175.000 175.000 175.981 -0.981 RESID 96 (Q): CA 55.570 55.570 54.968 0.602 RESID 96 (Q): CB 30.080 30.080 29.746 0.334 RESID 96 (Q): H 7.526 7.526 8.410 -0.884 RESID 97 (R): N 126.000 126.000 119.523 6.477 RESID 97 (R): C 176.800 176.800 176.218 0.582 RESID 97 (R): CA 55.610 55.610 56.659 -1.049 RESID 97 (R): CB 31.840 31.840 30.230 1.610 RESID 97 (R): H 9.039 9.039 8.536 0.503 RESID 98 (L): N 126.500 126.500 122.967 3.533 RESID 98 (L): C 175.400 175.400 175.795 -0.395 RESID 98 (L): CA 56.610 56.610 54.141 2.469 RESID 98 (L): CB 47.140 47.140 43.846 3.294 RESID 98 (L): H 8.247 8.247 8.701 -0.454 RESID 99 (Y): N 110.000 110.000 112.104 -2.104 RESID 99 (Y): C 173.200 173.200 174.580 -1.380 RESID 99 (Y): CA 55.320 55.320 56.138 -0.818 RESID 99 (Y): CB 38.350 38.350 39.360 -1.010 RESID 99 (Y): H 6.465 6.465 7.828 -1.363 RESID 100 (I): N 120.000 120.000 126.210 -6.210 RESID 100 (I): C 176.800 176.800 177.142 -0.342 RESID 100 (I): CA 61.290 61.290 63.082 -1.792 RESID 100 (I): CB 39.980 39.980 36.398 3.582 RESID 100 (I): H 8.725 8.725 8.621 0.104 RESID 101 (G): N 114.800 114.800 113.923 0.877 RESID 101 (G): C 173.400 173.400 174.102 -0.702 RESID 101 (G): CA 47.030 47.030 44.819 2.211 RESID 101 (G): H 8.224 8.224 8.486 -0.262 RESID 102 (E): N 129.600 129.600 118.695 10.905 RESID 102 (E): C 173.700 173.700 174.485 -0.785 RESID 102 (E): CA 54.480 54.480 54.011 0.469 RESID 102 (E): CB 29.790 29.790 27.761 2.029 RESID 102 (E): H 8.294 8.294 8.008 0.286 RESID 103 (P): C 175.400 175.400 176.226 -0.826 RESID 103 (P): CA 62.040 62.040 63.417 -1.377 RESID 103 (P): CB 32.570 32.570 32.647 -0.077 RESID 104 (S): N 111.900 111.900 117.145 -5.245 RESID 104 (S): C 174.800 174.800 174.649 0.151 RESID 104 (S): CA 55.340 55.340 58.481 -3.141 RESID 104 (S): CB 64.330 64.330 64.378 -0.048 RESID 104 (S): H 5.412 5.412 7.962 -2.550 RESID 105 (A): N 130.200 130.200 129.984 0.216 RESID 105 (A): C 179.400 179.400 179.060 0.340 RESID 105 (A): CA 55.070 55.070 54.332 0.738 RESID 105 (A): CB 18.210 18.210 19.111 -0.901 RESID 105 (A): H 9.211 9.211 8.875 0.336 RESID 106 (E): N 119.800 119.800 119.446 0.354 RESID 106 (E): C 179.300 179.300 178.864 0.436 RESID 106 (E): CA 60.270 60.270 59.033 1.237 RESID 106 (E): CB 28.990 28.990 29.462 -0.472 RESID 106 (E): H 8.731 8.731 8.584 0.147 RESID 107 (A): N 121.600 121.600 122.380 -0.780 RESID 107 (A): C 180.100 180.100 179.789 0.311 RESID 107 (A): CA 54.650 54.650 55.085 -0.435 RESID 107 (A): CB 19.220 19.220 18.375 0.845 RESID 107 (A): H 7.682 7.682 7.864 -0.182 RESID 108 (V): N 116.600 116.600 118.287 -1.687 RESID 108 (V): C 177.700 177.700 178.634 -0.934 RESID 108 (V): CA 66.920 66.920 65.753 1.167 RESID 108 (V): CB 31.430 31.430 31.089 0.341 RESID 108 (V): H 7.015 7.015 7.549 -0.534 RESID 109 (A): N 121.400 121.400 123.379 -1.979 RESID 109 (A): C 181.100 181.100 179.325 1.775 RESID 109 (A): CA 55.540 55.540 55.013 0.527 RESID 109 (A): CB 17.900 17.900 18.105 -0.205 RESID 109 (A): H 8.262 8.262 8.200 0.062 RESID 110 (A): N 118.800 118.800 119.536 -0.736 RESID 110 (A): C 178.900 178.900 178.645 0.255 RESID 110 (A): CA 54.300 54.300 54.548 -0.248 RESID 110 (A): CB 18.460 18.460 18.488 -0.028 RESID 110 (A): H 7.607 7.607 7.910 -0.303 RESID 111 (Q): N 113.500 113.500 114.531 -1.031 RESID 111 (Q): C 174.900 174.900 175.951 -1.051 RESID 111 (Q): CA 55.160 55.160 54.250 0.910 RESID 111 (Q): CB 28.450 28.450 28.663 -0.213 RESID 111 (Q): H 7.148 7.148 7.446 -0.298 RESID 112 (M): N 114.700 114.700 120.820 -6.120 RESID 112 (M): C 173.300 173.300 173.232 0.068 RESID 112 (M): CA 55.900 55.900 55.522 0.378 RESID 112 (M): CB 30.300 30.300 31.734 -1.434 RESID 112 (M): H 7.882 7.882 7.941 -0.059 RESID 113 (P): C 176.700 176.700 176.284 0.416 RESID 113 (P): CA 62.820 62.820 62.618 0.202 RESID 113 (P): CB 33.340 33.340 32.974 0.366 RESID 114 (D): N 115.800 115.800 117.929 -2.129 RESID 114 (D): C 175.900 175.900 175.927 -0.027 RESID 114 (D): CA 53.150 53.150 55.214 -2.064 RESID 114 (D): CB 40.990 40.990 42.967 -1.977 RESID 114 (D): H 8.850 8.850 8.228 0.622 RESID 115 (L): C 174.900 174.900 174.298 0.602 RESID 115 (L): CA 52.800 52.800 54.129 -1.329 RESID 116 (I): N 123.500 123.500 126.253 -2.753 RESID 116 (I): CA 60.270 60.270 60.106 0.164 RESID 116 (I): H 9.340 9.340 8.034 1.306 RESID 118 (I): C 174.400 174.400 175.438 -1.038 RESID 118 (I): CA 60.250 60.250 59.788 0.463 RESID 118 (I): CB 42.610 42.610 41.443 1.167 RESID 119 (S): N 121.600 121.600 121.619 -0.019 RESID 119 (S): C 175.700 175.700 175.139 0.561 RESID 119 (S): CA 57.150 57.150 57.741 -0.591 RESID 119 (S): CB 65.280 65.280 64.599 0.681 RESID 119 (S): H 9.575 9.575 8.555 1.020 RESID 120 (A): N 126.000 126.000 124.675 1.325 RESID 120 (A): C 176.900 176.900 177.440 -0.540 RESID 120 (A): CA 54.300 54.300 54.301 -0.001 RESID 120 (A): CB 20.530 20.530 19.089 1.441 RESID 120 (A): H 8.143 8.143 8.712 -0.569 RESID 121 (T): N 106.400 106.400 109.529 -3.129 RESID 121 (T): C 173.000 173.000 173.196 -0.196 RESID 121 (T): CA 59.450 59.450 61.893 -2.443 RESID 121 (T): CB 72.310 72.310 70.708 1.602 RESID 121 (T): H 7.617 7.617 7.800 -0.183 RESID 122 (G): N 104.200 104.200 110.954 -6.754 RESID 122 (G): C 177.200 177.200 174.105 3.095 RESID 122 (G): CA 44.430 44.430 45.196 -0.765 RESID 122 (G): H 7.998 7.998 7.803 0.195 RESID 123 (G): C 174.100 174.100 174.318 -0.218 RESID 123 (G): CA 46.710 46.710 45.674 1.036 RESID 124 (D): N 116.900 116.900 119.145 -2.245 RESID 124 (D): C 176.900 176.900 175.740 1.160 RESID 124 (D): CA 52.320 52.320 52.925 -0.605 RESID 124 (D): CB 40.690 40.690 40.619 0.071 RESID 124 (D): H 8.617 8.617 7.725 0.892 RESID 125 (S): N 115.100 115.100 119.124 -4.024 RESID 125 (S): C 176.900 176.900 175.176 1.724 RESID 125 (S): CA 58.750 58.750 58.668 0.082 RESID 125 (S): CB 64.190 64.190 64.071 0.119 RESID 125 (S): H 7.322 7.322 8.437 -1.115 RESID 126 (A): N 134.900 134.900 130.097 4.803 RESID 126 (A): C 176.700 176.700 178.658 -1.958 RESID 126 (A): CA 51.150 51.150 53.497 -2.347 RESID 126 (A): CB 16.850 16.850 19.089 -2.239 RESID 126 (A): H 8.837 8.837 8.605 0.232 RESID 127 (L): N 121.000 121.000 121.025 -0.025 RESID 127 (L): C 178.900 178.900 178.342 0.558 RESID 127 (L): CA 58.730 58.730 57.270 1.460 RESID 127 (L): CB 42.840 42.840 41.613 1.227 RESID 127 (L): H 7.353 7.353 8.149 -0.796 RESID 128 (A): N 121.600 121.600 118.131 3.469 RESID 128 (A): C 178.900 178.900 178.120 0.780 RESID 128 (A): CA 55.010 55.010 54.168 0.842 RESID 128 (A): CB 18.200 18.200 18.699 -0.499 RESID 128 (A): H 8.918 8.918 7.622 1.296 RESID 129 (L): N 116.800 116.800 116.127 0.673 RESID 129 (L): C 177.000 177.000 177.866 -0.866 RESID 129 (L): CA 53.930 53.930 55.194 -1.264 RESID 129 (L): CB 42.710 42.710 43.125 -0.415 RESID 129 (L): H 7.776 7.776 7.420 0.356 RESID 130 (Y): N 122.000 122.000 122.825 -0.825 RESID 130 (Y): C 177.100 177.100 176.702 0.398 RESID 130 (Y): CA 64.420 64.420 62.993 1.427 RESID 130 (Y): CB 39.470 39.470 38.419 1.051 RESID 130 (Y): H 7.891 7.891 8.986 -1.095 RESID 131 (D): N 119.000 119.000 117.837 1.163 RESID 131 (D): C 178.300 178.300 178.402 -0.102 RESID 131 (D): CA 58.040 58.040 57.443 0.598 RESID 131 (D): CB 39.660 39.660 39.371 0.289 RESID 131 (D): H 9.014 9.014 8.097 0.917 RESID 132 (Q): N 118.900 118.900 119.875 -0.975 RESID 132 (Q): C 179.100 179.100 178.802 0.298 RESID 132 (Q): CA 58.930 58.930 58.743 0.187 RESID 132 (Q): CB 29.320 29.320 28.721 0.599 RESID 132 (Q): H 7.814 7.814 7.965 -0.151 RESID 133 (L): N 119.700 119.700 120.150 -0.450 RESID 133 (L): C 177.900 177.900 178.595 -0.695 RESID 133 (L): CA 57.910 57.910 57.659 0.251 RESID 133 (L): CB 40.980 40.980 41.796 -0.816 RESID 133 (L): H 8.450 8.450 8.810 -0.360 RESID 134 (S): N 111.800 111.800 114.910 -3.110 RESID 134 (S): C 175.500 175.500 175.852 -0.352 RESID 134 (S): CA 61.160 61.160 60.936 0.224 RESID 134 (S): CB 63.450 63.450 62.698 0.752 RESID 134 (S): H 8.128 8.128 8.463 -0.335 RESID 135 (T): N 111.100 111.100 116.005 -4.905 RESID 135 (T): C 175.300 175.300 176.606 -1.306 RESID 135 (T): CA 63.230 63.230 65.302 -2.072 RESID 135 (T): CB 69.670 69.670 69.009 0.661 RESID 135 (T): H 6.953 6.953 7.559 -0.606 RESID 136 (I): N 124.400 124.400 120.487 3.913 RESID 136 (I): C 175.800 175.800 175.573 0.227 RESID 136 (I): CA 63.940 63.940 64.022 -0.082 RESID 136 (I): CB 38.870 38.870 38.568 0.302 RESID 136 (I): H 7.694 7.694 7.353 0.341 RESID 137 (A): N 120.500 120.500 118.642 1.858 RESID 137 (A): C 172.300 172.300 173.979 -1.679 RESID 137 (A): CA 50.470 50.470 50.584 -0.114 RESID 137 (A): CB 19.320 19.320 19.476 -0.156 RESID 137 (A): H 7.540 7.540 7.971 -0.431 RESID 138 (P): C 174.700 174.700 176.196 -1.496 RESID 138 (P): CA 64.700 64.700 63.603 1.097 RESID 138 (P): CB 31.610 31.610 31.526 0.084 RESID 139 (T): N 122.000 122.000 119.840 2.160 RESID 139 (T): C 173.900 173.900 173.940 -0.040 RESID 139 (T): CA 61.630 61.630 63.176 -1.546 RESID 139 (T): CB 71.540 71.540 69.688 1.852 RESID 139 (T): H 7.990 7.990 8.150 -0.160 RESID 140 (L): C 174.900 174.900 174.286 0.614 RESID 140 (L): CA 52.740 52.740 53.524 -0.784 RESID 140 (L): CB 46.680 46.680 46.126 0.554 RESID 141 (I): N 123.500 123.500 125.514 -2.014 RESID 141 (I): C 175.700 175.700 174.679 1.021 RESID 141 (I): CA 60.250 60.250 61.116 -0.866 RESID 141 (I): CB 39.590 39.590 38.652 0.938 RESID 141 (I): H 9.345 9.345 7.884 1.461 RESID 142 (I): N 129.000 129.000 127.064 1.936 RESID 142 (I): C 174.400 174.400 174.172 0.228 RESID 142 (I): CA 57.930 57.930 59.831 -1.901 RESID 142 (I): CB 39.690 39.690 42.199 -2.509 RESID 142 (I): H 9.030 9.030 8.959 0.071 RESID 143 (N): N 129.100 129.100 124.190 4.910 RESID 143 (N): C 174.700 174.700 174.220 0.480 RESID 143 (N): CA 51.390 51.390 53.361 -1.971 RESID 143 (N): CB 39.720 39.720 39.595 0.125 RESID 143 (N): H 9.388 9.388 8.678 0.710 RESID 144 (Y): N 119.900 119.900 126.065 -6.165 RESID 144 (Y): C 176.500 176.500 174.810 1.690 RESID 144 (Y): CA 55.820 55.820 59.554 -3.734 RESID 144 (Y): CB 39.120 39.120 39.243 -0.123 RESID 144 (Y): H 8.491 8.491 8.469 0.022 RESID 145 (D): N 125.200 125.200 124.409 0.791 RESID 145 (D): C 176.800 176.800 175.027 1.773 RESID 145 (D): CA 55.220 55.220 55.433 -0.213 RESID 145 (D): CB 43.120 43.120 39.770 3.350 RESID 145 (D): H 8.800 8.800 8.358 0.442 RESID 146 (D): N 119.100 119.100 114.953 4.147 RESID 146 (D): C 175.200 175.200 175.280 -0.080 RESID 146 (D): CA 53.230 53.230 53.620 -0.390 RESID 146 (D): CB 40.760 40.760 42.443 -1.683 RESID 146 (D): H 7.571 7.571 8.609 -1.038 RESID 147 (K): N 114.100 114.100 119.852 -5.752 RESID 147 (K): C 175.000 175.000 175.274 -0.274 RESID 147 (K): CA 54.070 54.070 55.616 -1.546 RESID 147 (K): CB 33.340 33.340 35.098 -1.758 RESID 147 (K): H 7.018 7.018 7.569 -0.551 RESID 148 (S): N 118.300 118.300 118.781 -0.481 RESID 148 (S): C 175.700 175.700 176.085 -0.385 RESID 148 (S): CA 57.120 57.120 57.193 -0.073 RESID 148 (S): CB 64.970 64.970 64.257 0.713 RESID 148 (S): H 8.709 8.709 8.488 0.221 RESID 149 (W): N 121.700 121.700 119.925 1.775 RESID 149 (W): C 179.300 179.300 177.222 2.078 RESID 149 (W): CA 59.890 59.890 58.557 1.333 RESID 149 (W): CB 27.660 27.660 28.381 -0.721 RESID 149 (W): H 8.779 8.779 8.907 -0.128 RESID 150 (Q): N 124.600 124.600 121.398 3.202 RESID 150 (Q): C 178.100 178.100 177.809 0.291 RESID 150 (Q): CA 61.660 61.660 58.279 3.381 RESID 150 (Q): CB 26.550 26.550 27.759 -1.209 RESID 150 (Q): H 8.369 8.369 6.757 1.612 RESID 151 (S): N 117.500 117.500 116.211 1.289 RESID 151 (S): C 177.500 177.500 177.012 0.488 RESID 151 (S): CA 61.760 61.760 61.165 0.595 RESID 151 (S): CB 63.360 63.360 62.742 0.619 RESID 151 (S): H 7.769 7.769 7.735 0.034 RESID 152 (L): N 125.200 125.200 122.929 2.271 RESID 152 (L): C 178.700 178.700 178.122 0.578 RESID 152 (L): CA 58.320 58.320 57.934 0.387 RESID 152 (L): CB 41.980 41.980 41.691 0.289 RESID 152 (L): H 8.460 8.460 8.400 0.060 RESID 153 (L): N 119.200 119.200 118.635 0.565 RESID 153 (L): C 179.700 179.700 178.659 1.041 RESID 153 (L): CA 58.960 58.960 57.530 1.430 RESID 153 (L): CB 41.270 41.270 41.370 -0.100 RESID 153 (L): H 8.562 8.562 7.623 0.939 RESID 154 (T): N 116.300 116.300 112.778 3.522 RESID 154 (T): C 177.200 177.200 176.896 0.304 RESID 154 (T): CA 67.290 67.290 65.967 1.323 RESID 154 (T): CB 68.640 68.640 68.109 0.531 RESID 154 (T): H 8.004 8.004 7.857 0.147 RESID 155 (Q): N 124.500 124.500 120.990 3.510 RESID 155 (Q): C 179.200 179.200 177.998 1.202 RESID 155 (Q): CA 59.710 59.710 58.334 1.376 RESID 155 (Q): CB 28.620 28.620 28.357 0.264 RESID 155 (Q): H 8.230 8.230 7.917 0.313 RESID 156 (L): C 180.900 180.900 179.262 1.638 RESID 156 (L): CA 57.540 57.540 56.923 0.617 RESID 156 (L): CB 41.710 41.710 41.838 -0.128 RESID 157 (G): N 112.800 112.800 107.002 5.798 RESID 157 (G): C 174.500 174.500 175.069 -0.569 RESID 157 (G): CA 48.300 48.300 46.515 1.785 RESID 157 (G): H 9.216 9.216 7.993 1.223 RESID 158 (E): N 123.500 123.500 118.657 4.843 RESID 158 (E): C 177.800 177.800 177.141 0.659 RESID 158 (E): CA 59.120 59.120 57.854 1.266 RESID 158 (E): CB 29.700 29.700 29.380 0.320 RESID 158 (E): H 7.480 7.480 7.458 0.022 RESID 160 (T): C 178.300 178.300 176.011 2.289 RESID 160 (T): CA 61.930 61.930 63.089 -1.159 RESID 160 (T): CB 71.830 71.830 69.150 2.680 RESID 161 (G): N 113.600 113.600 113.877 -0.277 RESID 161 (G): C 174.600 174.600 174.150 0.450 RESID 161 (G): CA 48.130 48.130 46.884 1.246 RESID 161 (G): H 8.114 8.114 8.987 -0.873 RESID 162 (H): N 121.000 121.000 116.046 4.954 RESID 162 (H): C 174.000 174.000 176.163 -2.163 RESID 162 (H): CA 55.370 55.370 55.854 -0.484 RESID 162 (H): CB 28.280 28.280 31.287 -3.007 RESID 162 (H): H 8.506 8.506 7.834 0.672 RESID 163 (E): N 123.900 123.900 122.143 1.757 RESID 163 (E): C 180.800 180.800 178.465 2.335 RESID 163 (E): CA 61.160 61.160 59.731 1.429 RESID 163 (E): CB 28.720 28.720 29.160 -0.440 RESID 163 (E): H 10.300 10.300 8.759 1.541 RESID 164 (K): N 120.600 120.600 120.374 0.226 RESID 164 (K): C 178.700 178.700 178.789 -0.089 RESID 164 (K): CA 59.590 59.590 60.049 -0.459 RESID 164 (K): CB 32.280 32.280 31.971 0.309 RESID 164 (K): H 8.789 8.789 8.392 0.397 RESID 165 (Q): N 119.500 119.500 117.302 2.198 RESID 165 (Q): C 178.800 178.800 178.134 0.666 RESID 165 (Q): CA 60.870 60.870 58.845 2.025 RESID 165 (Q): CB 28.120 28.120 28.385 -0.265 RESID 165 (Q): H 8.058 8.058 8.543 -0.485 RESID 166 (A): N 121.100 121.100 122.429 -1.329 RESID 166 (A): C 178.000 178.000 179.425 -1.425 RESID 166 (A): CA 56.280 56.280 54.958 1.322 RESID 166 (A): CB 18.300 18.300 18.077 0.223 RESID 166 (A): H 7.873 7.873 8.019 -0.146 RESID 167 (A): N 117.900 117.900 120.935 -3.035 RESID 167 (A): C 181.500 181.500 179.609 1.891 RESID 167 (A): CA 55.100 55.100 55.255 -0.156 RESID 167 (A): CB 17.860 17.860 18.171 -0.311 RESID 167 (A): H 7.642 7.642 8.756 -1.114 RESID 168 (E): N 120.100 120.100 118.574 1.526 RESID 168 (E): C 179.600 179.600 179.129 0.471 RESID 168 (E): CA 59.610 59.610 59.616 -0.006 RESID 168 (E): CB 29.790 29.790 29.340 0.450 RESID 168 (E): H 8.230 8.230 7.916 0.314 RESID 170 (I): C 177.700 177.700 177.698 0.002 RESID 170 (I): CA 66.880 66.880 65.308 1.572 RESID 170 (I): CB 39.310 39.310 37.951 1.359 RESID 171 (A): N 120.700 120.700 123.161 -2.461 RESID 171 (A): C 181.200 181.200 179.839 1.361 RESID 171 (A): CA 55.290 55.290 55.638 -0.348 RESID 171 (A): CB 18.260 18.260 18.114 0.146 RESID 171 (A): H 8.000 8.000 8.775 -0.775 RESID 172 (Q): N 120.600 120.600 118.027 2.573 RESID 172 (Q): C 179.200 179.200 178.581 0.619 RESID 172 (Q): CA 59.210 59.210 58.498 0.712 RESID 172 (Q): CB 28.340 28.340 28.598 -0.258 RESID 172 (Q): H 8.585 8.585 7.943 0.642 RESID 173 (F): N 122.500 122.500 122.634 -0.134 RESID 173 (F): C 176.400 176.400 177.412 -1.012 RESID 173 (F): CA 62.710 62.710 61.118 1.591 RESID 173 (F): CB 39.490 39.490 39.122 0.368 RESID 173 (F): H 8.457 8.457 8.766 -0.309 RESID 174 (D): N 121.000 121.000 120.098 0.902 RESID 174 (D): C 180.300 180.300 178.881 1.419 RESID 174 (D): CA 58.040 58.040 57.493 0.547 RESID 174 (D): CB 40.160 40.160 40.252 -0.092 RESID 174 (D): H 8.771 8.771 9.036 -0.265 RESID 175 (K): N 121.300 121.300 120.216 1.084 RESID 175 (K): C 179.800 179.800 178.636 1.164 RESID 175 (K): CA 59.630 59.630 59.641 -0.011 RESID 175 (K): CB 32.710 32.710 32.395 0.315 RESID 175 (K): H 8.125 8.125 8.190 -0.065 RESID 176 (Q): N 121.600 121.600 119.493 2.107 RESID 176 (Q): C 179.100 179.100 178.334 0.766 RESID 176 (Q): CA 58.460 58.460 58.936 -0.476 RESID 176 (Q): CB 27.990 27.990 28.525 -0.535 RESID 176 (Q): H 8.164 8.164 7.817 0.347 RESID 177 (L): N 125.600 125.600 119.609 5.991 RESID 177 (L): C 178.400 178.400 178.669 -0.269 RESID 177 (L): CA 59.890 59.890 57.243 2.647 RESID 177 (L): CB 41.200 41.200 41.358 -0.158 RESID 177 (L): H 8.944 8.944 7.734 1.210 RESID 178 (A): N 121.500 121.500 122.554 -1.054 RESID 178 (A): C 180.600 180.600 179.227 1.373 RESID 178 (A): CA 55.390 55.390 55.196 0.194 RESID 178 (A): CB 17.970 17.970 17.880 0.090 RESID 178 (A): H 7.690 7.690 8.236 -0.546 RESID 179 (A): N 120.200 120.200 120.976 -0.776 RESID 179 (A): C 180.600 180.600 179.888 0.712 RESID 179 (A): CA 54.860 54.860 54.525 0.335 RESID 179 (A): CB 18.190 18.190 18.596 -0.406 RESID 179 (A): H 7.706 7.706 7.657 0.049 RESID 180 (A): N 121.800 121.800 121.832 -0.032 RESID 180 (A): C 179.200 179.200 179.105 0.095 RESID 180 (A): CA 55.490 55.490 54.739 0.751 RESID 180 (A): CB 17.920 17.920 18.186 -0.266 RESID 180 (A): H 8.171 8.171 8.003 0.168 RESID 181 (K): N 118.100 118.100 117.999 0.101 RESID 181 (K): C 178.000 178.000 178.121 -0.121 RESID 181 (K): CA 59.830 59.830 59.220 0.610 RESID 181 (K): CB 33.340 33.340 32.634 0.706 RESID 181 (K): H 8.342 8.342 8.330 0.012 RESID 182 (E): N 114.400 114.400 116.580 -2.180 RESID 182 (E): C 177.300 177.300 177.448 -0.148 RESID 182 (E): CA 57.870 57.870 57.147 0.723 RESID 182 (E): CB 30.320 30.320 29.245 1.075 RESID 182 (E): H 7.153 7.153 7.748 -0.595 RESID 183 (Q): N 116.700 116.700 117.385 -0.685 RESID 183 (Q): C 177.200 177.200 176.181 1.019 RESID 183 (Q): CA 57.060 57.060 56.835 0.225 RESID 183 (Q): CB 31.550 31.550 31.114 0.436 RESID 183 (Q): H 7.458 7.458 7.638 -0.180 RESID 184 (I): N 117.800 117.800 115.853 1.947 RESID 184 (I): C 175.200 175.200 174.246 0.954 RESID 184 (I): CA 63.000 63.000 59.746 3.254 RESID 184 (I): CB 40.300 40.300 39.953 0.347 RESID 184 (I): H 7.723 7.723 7.431 0.292 RESID 185 (K): N 127.700 127.700 122.755 4.945 RESID 185 (K): C 175.600 175.600 175.332 0.268 RESID 185 (K): CA 54.550 54.550 55.051 -0.501 RESID 185 (K): CB 31.600 31.600 34.354 -2.754 RESID 185 (K): H 8.743 8.743 7.937 0.806 RESID 186 (L): N 124.700 124.700 125.380 -0.680 RESID 186 (L): C 175.700 175.700 175.848 -0.148 RESID 186 (L): CA 54.240 54.240 52.167 2.073 RESID 186 (L): CB 41.050 41.050 40.793 0.257 RESID 186 (L): H 8.051 8.051 8.564 -0.513 RESID 188 (P): C 174.800 174.800 176.254 -1.454 RESID 188 (P): CA 65.060 65.060 63.591 1.469 RESID 188 (P): CB 32.670 32.670 31.664 1.006 RESID 189 (Q): N 121.300 121.300 121.068 0.232 RESID 189 (Q): C 174.800 174.800 172.920 1.880 RESID 189 (Q): CA 52.330 52.330 54.727 -2.397 RESID 189 (Q): CB 31.350 31.350 30.374 0.976 RESID 189 (Q): H 8.061 8.061 8.226 -0.165 RESID 190 (P): C 175.500 175.500 175.542 -0.042 RESID 190 (P): CA 62.820 62.820 62.450 0.370 RESID 190 (P): CB 35.450 35.450 32.828 2.622 RESID 191 (V): N 112.600 112.600 121.531 -8.931 RESID 191 (V): C 174.300 174.300 173.957 0.343 RESID 191 (V): CA 59.740 59.740 59.524 0.216 RESID 191 (V): CB 35.030 35.030 34.696 0.334 RESID 191 (V): H 9.214 9.214 8.533 0.681 RESID 192 (T): N 120.700 120.700 113.349 7.351 RESID 192 (T): C 172.300 172.300 172.086 0.214 RESID 192 (T): CA 63.030 63.030 59.529 3.501 RESID 192 (T): CB 71.550 71.550 71.248 0.302 RESID 192 (T): H 8.462 8.462 8.332 0.130 RESID 193 (A): N 132.900 132.900 122.974 9.926 RESID 193 (A): C 175.400 175.400 175.400 0.000 RESID 193 (A): CA 50.570 50.570 51.138 -0.568 RESID 193 (A): CB 21.140 21.140 21.442 -0.302 RESID 193 (A): H 10.170 10.170 8.558 1.612 RESID 194 (I): N 115.400 115.400 117.482 -2.082 RESID 194 (I): C 176.600 176.600 173.693 2.907 RESID 194 (I): CA 59.540 59.540 60.002 -0.462 RESID 194 (I): CB 43.930 43.930 42.122 1.808 RESID 194 (I): H 9.269 9.269 8.523 0.746 RESID 195 (V): N 118.500 118.500 122.767 -4.267 RESID 195 (V): C 176.200 176.200 174.064 2.136 RESID 195 (V): CA 63.190 63.190 61.381 1.809 RESID 195 (V): CB 34.870 34.870 34.732 0.138 RESID 195 (V): H 8.484 8.484 8.649 -0.165 RESID 196 (Y): N 132.200 132.200 129.471 2.729 RESID 196 (Y): C 174.700 174.700 174.146 0.554 RESID 196 (Y): CA 57.000 57.000 57.415 -0.415 RESID 196 (Y): CB 41.250 41.250 40.209 1.041 RESID 196 (Y): H 9.989 9.989 8.980 1.009 RESID 197 (T): N 124.900 124.900 123.399 1.501 RESID 197 (T): C 174.300 174.300 173.369 0.931 RESID 197 (T): CA 60.740 60.740 60.631 0.109 RESID 197 (T): CB 68.560 68.560 71.609 -3.049 RESID 197 (T): H 8.262 8.262 7.833 0.429 RESID 198 (A): N 130.500 130.500 130.737 -0.237 RESID 198 (A): C 180.400 180.400 179.258 1.142 RESID 198 (A): CA 55.510 55.510 54.359 1.151 RESID 198 (A): CB 18.480 18.480 18.410 0.070 RESID 198 (A): H 8.524 8.524 8.858 -0.334 RESID 199 (A): N 118.700 118.700 123.566 -4.866 RESID 199 (A): C 177.700 177.700 178.704 -1.004 RESID 199 (A): CA 54.350 54.350 54.867 -0.517 RESID 199 (A): CB 18.350 18.350 17.922 0.428 RESID 199 (A): H 8.578 8.578 8.291 0.287 RESID 200 (A): N 116.700 116.700 120.533 -3.833 RESID 200 (A): C 176.600 176.600 177.258 -0.658 RESID 200 (A): CA 51.290 51.290 52.058 -0.768 RESID 200 (A): CB 20.180 20.180 18.866 1.314 RESID 200 (A): H 6.638 6.638 8.107 -1.469 RESID 201 (H): N 116.900 116.900 116.601 0.299 RESID 201 (H): C 172.900 172.900 173.403 -0.503 RESID 201 (H): CA 56.710 56.710 56.344 0.366 RESID 201 (H): CB 27.820 27.820 28.258 -0.438 RESID 201 (H): H 7.569 7.569 7.811 -0.242 RESID 202 (S): N 110.500 110.500 114.463 -3.963 RESID 202 (S): C 171.500 171.500 171.451 0.049 RESID 202 (S): CA 56.530 56.530 57.600 -1.070 RESID 202 (S): CB 66.170 66.170 66.295 -0.125 RESID 202 (S): H 7.109 7.109 7.805 -0.696 RESID 203 (A): N 120.900 120.900 123.850 -2.950 RESID 203 (A): C 174.900 174.900 175.283 -0.383 RESID 203 (A): CA 50.890 50.890 51.418 -0.528 RESID 203 (A): CB 24.510 24.510 22.199 2.311 RESID 203 (A): H 8.618 8.618 8.304 0.314 RESID 204 (N): N 118.900 118.900 118.855 0.045 RESID 204 (N): C 173.300 173.300 173.450 -0.150 RESID 204 (N): CA 51.520 51.520 52.064 -0.544 RESID 204 (N): CB 40.080 40.080 42.175 -2.095 RESID 204 (N): H 8.333 8.333 8.230 0.103 RESID 205 (L): N 127.200 127.200 121.709 5.491 RESID 205 (L): C 175.700 175.700 175.565 0.135 RESID 205 (L): CA 54.920 54.920 54.061 0.859 RESID 205 (L): CB 44.180 44.180 42.658 1.522 RESID 205 (L): H 9.265 9.265 7.616 1.649 RESID 206 (W): N 125.300 125.300 123.650 1.650 RESID 206 (W): C 177.100 177.100 176.450 0.650 RESID 206 (W): CA 56.630 56.630 57.373 -0.743 RESID 206 (W): CB 29.690 29.690 30.819 -1.129 RESID 206 (W): H 8.560 8.560 7.914 0.646 RESID 207 (T): N 112.000 112.000 110.200 1.800 RESID 207 (T): C 176.100 176.100 173.281 2.819 RESID 207 (T): CA 60.120 60.120 59.231 0.889 RESID 207 (T): CB 68.540 68.540 70.386 -1.846 RESID 207 (T): H 8.029 8.029 8.136 -0.107 RESID 208 (P): C 176.000 176.000 176.858 -0.858 RESID 208 (P): CA 66.120 66.120 65.397 0.723 RESID 208 (P): CB 31.950 31.950 32.168 -0.218 RESID 209 (E): N 112.300 112.300 115.037 -2.737 RESID 209 (E): C 177.100 177.100 176.810 0.290 RESID 209 (E): CA 57.280 57.280 57.222 0.057 RESID 209 (E): CB 29.760 29.760 30.143 -0.383 RESID 209 (E): H 7.612 7.612 7.967 -0.355 RESID 210 (S): N 115.800 115.800 115.067 0.733 RESID 210 (S): C 173.900 173.900 175.533 -1.633 RESID 210 (S): CA 58.060 58.060 59.182 -1.122 RESID 210 (S): CB 67.320 67.320 64.473 2.847 RESID 210 (S): H 7.654 7.654 7.428 0.226 RESID 211 (A): N 125.200 125.200 127.326 -2.126 RESID 211 (A): C 180.600 180.600 179.849 0.751 RESID 211 (A): CA 55.410 55.410 55.315 0.095 RESID 211 (A): CB 18.530 18.530 18.763 -0.233 RESID 211 (A): H 8.874 8.874 9.019 -0.145 RESID 212 (Q): N 119.200 119.200 118.637 0.563 RESID 212 (Q): C 177.100 177.100 178.016 -0.916 RESID 212 (Q): CA 61.410 61.410 58.968 2.442 RESID 212 (Q): CB 27.090 27.090 27.420 -0.330 RESID 212 (Q): H 8.493 8.493 8.475 0.018 RESID 213 (G): N 107.500 107.500 107.659 -0.159 RESID 213 (G): C 175.400 175.400 176.315 -0.915 RESID 213 (G): CA 47.520 47.520 46.827 0.693 RESID 213 (G): H 8.053 8.053 8.298 -0.245 RESID 214 (Q): N 120.700 120.700 121.484 -0.784 RESID 214 (Q): C 179.000 179.000 178.388 0.612 RESID 214 (Q): CA 59.150 59.150 58.868 0.282 RESID 214 (Q): CB 29.110 29.110 28.696 0.414 RESID 214 (Q): H 8.501 8.501 8.085 0.416 RESID 215 (M): N 119.200 119.200 120.615 -1.415 RESID 215 (M): C 177.800 177.800 178.167 -0.367 RESID 215 (M): CA 59.760 59.760 59.644 0.116 RESID 215 (M): CB 32.050 32.050 32.848 -0.798 RESID 215 (M): H 7.878 7.878 8.185 -0.307 RESID 216 (L): N 115.800 115.800 118.829 -3.029 RESID 216 (L): C 179.900 179.900 179.033 0.867 RESID 216 (L): CA 58.160 58.160 57.651 0.509 RESID 216 (L): CB 40.010 40.010 41.459 -1.449 RESID 216 (L): H 7.517 7.517 7.986 -0.469 RESID 217 (E): N 121.000 121.000 119.675 1.325 RESID 217 (E): C 182.200 182.200 179.249 2.951 RESID 217 (E): CA 60.210 60.210 58.921 1.289 RESID 217 (E): CB 29.150 29.150 29.422 -0.272 RESID 217 (E): H 8.377 8.377 8.190 0.187 RESID 218 (Q): N 122.300 122.300 117.137 5.163 RESID 218 (Q): C 178.100 178.100 178.879 -0.779 RESID 218 (Q): CA 59.220 59.220 58.267 0.952 RESID 218 (Q): CB 28.850 28.850 29.118 -0.268 RESID 218 (Q): H 8.464 8.464 7.921 0.543 RESID 219 (L): N 118.400 118.400 117.744 0.656 RESID 219 (L): C 175.200 175.200 177.441 -2.241 RESID 219 (L): CA 55.880 55.880 57.243 -1.363 RESID 219 (L): CB 44.330 44.330 42.873 1.457 RESID 219 (L): H 7.433 7.433 7.774 -0.341 RESID 220 (G): N 104.600 104.600 102.702 1.898 RESID 220 (G): C 174.700 174.700 172.929 1.771 RESID 220 (G): CA 44.750 44.750 44.685 0.065 RESID 220 (G): H 7.777 7.777 8.161 -0.384 RESID 221 (F): N 119.100 119.100 118.920 0.180 RESID 221 (F): C 175.200 175.200 174.341 0.859 RESID 221 (F): CA 57.900 57.900 55.960 1.940 RESID 221 (F): CB 38.930 38.930 42.781 -3.851 RESID 221 (F): H 8.001 8.001 7.774 0.227 RESID 222 (T): N 117.600 117.600 116.005 1.595 RESID 222 (T): C 173.900 173.900 173.377 0.523 RESID 222 (T): CA 61.790 61.790 61.205 0.585 RESID 222 (T): CB 71.360 71.360 69.751 1.609 RESID 222 (T): H 8.961 8.961 8.565 0.396 RESID 223 (L): N 128.300 128.300 127.098 1.202 RESID 223 (L): C 178.300 178.300 176.642 1.658 RESID 223 (L): CA 54.760 54.760 53.404 1.356 RESID 223 (L): CB 41.600 41.600 42.731 -1.131 RESID 223 (L): H 9.269 9.269 8.209 1.060 RESID 224 (A): N 126.800 126.800 128.121 -1.321 RESID 224 (A): C 177.400 177.400 175.863 1.537 RESID 224 (A): CA 52.460 52.460 50.994 1.466 RESID 224 (A): CB 18.650 18.650 20.829 -2.179 RESID 224 (A): H 9.077 9.077 8.101 0.976 RESID 225 (K): N 123.400 123.400 121.158 2.242 RESID 225 (K): C 176.800 176.800 176.189 0.611 RESID 225 (K): CA 55.600 55.600 55.576 0.024 RESID 225 (K): CB 33.080 33.080 32.903 0.177 RESID 225 (K): H 8.601 8.601 8.362 0.239 RESID 226 (L): N 126.200 126.200 128.001 -1.801 RESID 226 (L): C 175.500 175.500 175.609 -0.109 RESID 226 (L): CA 53.420 53.420 53.957 -0.537 RESID 226 (L): CB 41.720 41.720 41.249 0.471 RESID 226 (L): H 8.634 8.634 8.521 0.113 RESID 227 (P): C 176.800 176.800 177.067 -0.267 RESID 227 (P): CA 62.860 62.860 62.889 -0.029 RESID 227 (P): CB 32.360 32.360 32.188 0.172 RESID 228 (A): N 124.900 124.900 124.830 0.070 RESID 228 (A): C 179.500 179.500 178.485 1.015 RESID 228 (A): CA 54.120 54.120 53.413 0.707 RESID 228 (A): CB 18.710 18.710 18.704 0.006 RESID 228 (A): H 8.412 8.412 8.511 -0.099 RESID 229 (G): N 107.700 107.700 107.494 0.206 RESID 229 (G): C 175.000 175.000 175.993 -0.993 RESID 229 (G): CA 46.040 46.040 45.431 0.609 RESID 229 (G): H 8.565 8.565 8.097 0.468 RESID 230 (L): N 121.100 121.100 122.329 -1.229 RESID 230 (L): C 176.900 176.900 178.353 -1.453 RESID 230 (L): CA 55.620 55.620 55.536 0.084 RESID 230 (L): CB 42.630 42.630 41.693 0.937 RESID 230 (L): H 7.454 7.454 7.879 -0.425 RESID 231 (N): N 119.400 119.400 119.842 -0.442 RESID 231 (N): C 175.300 175.300 175.916 -0.616 RESID 231 (N): CA 53.650 53.650 56.143 -2.493 RESID 231 (N): CB 38.940 38.940 37.994 0.946 RESID 231 (N): H 8.211 8.211 8.026 0.185 RESID 232 (A): N 124.500 124.500 119.555 4.945 RESID 232 (A): C 178.100 178.100 178.052 0.048 RESID 232 (A): CA 53.110 53.110 51.706 1.404 RESID 232 (A): CB 19.340 19.340 18.029 1.311 RESID 232 (A): H 8.103 8.103 7.942 0.161 RESID 233 (S): N 115.200 115.200 115.260 -0.060 RESID 233 (S): C 175.100 175.100 175.577 -0.477 RESID 233 (S): CA 59.280 59.280 61.038 -1.758 RESID 233 (S): CB 64.280 64.280 63.338 0.942 RESID 233 (S): H 8.169 8.169 8.437 -0.268 RESID 234 (Q): N 122.100 122.100 120.539 1.561 RESID 234 (Q): C 176.400 176.400 175.687 0.713 RESID 234 (Q): CA 56.240 56.240 56.057 0.183 RESID 234 (Q): CB 29.490 29.490 30.809 -1.319 RESID 234 (Q): H 8.230 8.230 7.768 0.462 RESID 235 (S): N 117.100 117.100 118.114 -1.014 RESID 235 (S): C 174.900 174.900 174.672 0.228 RESID 235 (S): CA 58.910 58.910 58.916 -0.006 RESID 235 (S): CB 64.510 64.510 62.877 1.633 RESID 235 (S): H 8.229 8.229 8.438 -0.209 RESID 236 (Q): N 122.300 122.300 127.113 -4.813 RESID 236 (Q): C 176.700 176.700 175.440 1.260 RESID 236 (Q): CA 56.610 56.610 55.498 1.112 RESID 236 (Q): CB 29.280 29.280 27.632 1.648 RESID 236 (Q): H 8.372 8.372 8.847 -0.475 RESID 237 (G): N 110.400 110.400 109.033 1.367 RESID 237 (G): C 174.100 174.100 172.960 1.140 RESID 237 (G): CA 45.720 45.720 45.463 0.257 RESID 237 (G): H 8.381 8.381 7.581 0.800 RESID 238 (K): N 120.500 120.500 121.460 -0.960 RESID 238 (K): C 176.600 176.600 175.484 1.116 RESID 238 (K): CA 56.490 56.490 56.026 0.464 RESID 238 (K): CB 33.320 33.320 32.761 0.559 RESID 238 (K): H 7.968 7.968 8.359 -0.391 RESID 239 (R): N 120.900 120.900 125.003 -4.103 RESID 239 (R): CA 56.130 56.130 55.935 0.195 RESID 239 (R): CB 31.560 31.560 30.910 0.649 RESID 239 (R): H 8.159 8.159 8.500 -0.341 RESID 240 (H): C 174.800 174.800 176.512 -1.712 RESID 240 (H): CA 55.740 55.740 58.644 -2.904 RESID 240 (H): CB 29.760 29.760 30.070 -0.309 RESID 241 (D): N 119.800 119.800 119.224 0.576 RESID 241 (D): C 174.700 174.700 176.268 -1.568 RESID 241 (D): CA 55.500 55.500 55.975 -0.475 RESID 241 (D): CB 40.550 40.550 41.216 -0.666 RESID 241 (D): H 9.052 9.052 8.389 0.663 RESID 242 (I): N 115.200 115.200 115.028 0.172 RESID 242 (I): C 175.600 175.600 174.393 1.207 RESID 242 (I): CA 59.090 59.090 59.413 -0.323 RESID 242 (I): CB 43.670 43.670 40.918 2.752 RESID 242 (I): H 7.087 7.087 7.411 -0.324 RESID 243 (I): N 125.100 125.100 126.227 -1.127 RESID 243 (I): C 175.300 175.300 174.271 1.029 RESID 243 (I): CA 60.340 60.340 60.630 -0.290 RESID 243 (I): CB 41.290 41.290 38.394 2.896 RESID 243 (I): H 8.746 8.746 8.504 0.242 RESID 244 (Q): N 128.400 128.400 127.552 0.848 RESID 244 (Q): C 175.300 175.300 174.256 1.044 RESID 244 (Q): CA 56.460 56.460 54.932 1.528 RESID 244 (Q): CB 29.800 29.800 29.766 0.034 RESID 244 (Q): H 8.768 8.768 8.599 0.169 RESID 245 (L): N 125.500 125.500 123.487 2.013 RESID 245 (L): C 176.200 176.200 176.615 -0.415 RESID 245 (L): CA 53.790 53.790 53.106 0.684 RESID 245 (L): CB 45.100 45.100 44.864 0.236 RESID 245 (L): H 8.640 8.640 8.332 0.308 RESID 246 (G): N 109.700 109.700 105.071 4.629 RESID 246 (G): C 174.200 174.200 174.321 -0.121 RESID 246 (G): CA 44.590 44.590 45.047 -0.457 RESID 246 (G): H 8.424 8.424 8.445 -0.021 RESID 247 (G): N 108.500 108.500 108.657 -0.157 RESID 247 (G): C 176.800 176.800 174.974 1.826 RESID 247 (G): CA 47.500 47.500 44.354 3.146 RESID 247 (G): H 8.666 8.666 7.733 0.933 RESID 248 (E): N 123.700 123.700 121.208 2.492 RESID 248 (E): C 177.300 177.300 176.502 0.798 RESID 248 (E): CA 58.560 58.560 57.511 1.049 RESID 248 (E): CB 29.330 29.330 29.161 0.169 RESID 248 (E): H 9.265 9.265 8.816 0.449 RESID 249 (N): N 116.700 116.700 116.601 0.099 RESID 249 (N): C 175.500 175.500 176.004 -0.504 RESID 249 (N): CA 53.490 53.490 53.562 -0.072 RESID 249 (N): CB 39.390 39.390 38.820 0.570 RESID 249 (N): H 7.963 7.963 7.758 0.205 RESID 250 (L): N 121.100 121.100 119.934 1.166 RESID 250 (L): C 177.100 177.100 178.091 -0.991 RESID 250 (L): CA 58.810 58.810 57.053 1.757 RESID 250 (L): CB 42.220 42.220 41.475 0.745 RESID 250 (L): H 7.104 7.104 7.800 -0.696 RESID 251 (A): N 117.400 117.400 122.365 -4.965 RESID 251 (A): C 179.500 179.500 178.169 1.331 RESID 251 (A): CA 55.340 55.340 54.660 0.680 RESID 251 (A): CB 17.960 17.960 18.386 -0.426 RESID 251 (A): H 8.141 8.141 8.314 -0.173 RESID 252 (A): N 117.400 117.400 118.605 -1.205 RESID 252 (A): C 179.100 179.100 178.331 0.769 RESID 252 (A): CA 53.990 53.990 52.415 1.575 RESID 252 (A): CB 18.970 18.970 18.950 0.021 RESID 252 (A): H 7.375 7.375 8.411 -1.036 RESID 253 (G): N 100.600 100.600 107.902 -7.302 RESID 253 (G): C 172.700 172.700 174.804 -2.104 RESID 253 (G): CA 45.380 45.380 45.025 0.355 RESID 253 (G): H 7.589 7.589 7.550 0.039 RESID 254 (L): N 124.800 124.800 122.839 1.961 RESID 254 (L): C 175.300 175.300 177.544 -2.244 RESID 254 (L): CA 53.020 53.020 54.866 -1.846 RESID 254 (L): CB 39.090 39.090 42.099 -3.009 RESID 254 (L): H 7.202 7.202 7.799 -0.597 RESID 255 (N): N 113.800 113.800 121.444 -7.644 RESID 255 (N): C 176.600 176.600 176.241 0.359 RESID 255 (N): CA 53.420 53.420 54.005 -0.585 RESID 255 (N): CB 37.600 37.600 38.836 -1.236 RESID 255 (N): H 7.701 7.701 8.840 -1.139 RESID 256 (G): N 109.100 109.100 106.552 2.548 RESID 256 (G): C 172.200 172.200 174.650 -2.450 RESID 256 (G): CA 45.790 45.790 45.321 0.469 RESID 256 (G): H 7.856 7.856 8.549 -0.693 RESID 257 (E): N 120.100 120.100 118.539 1.561 RESID 257 (E): C 176.900 176.900 175.415 1.485 RESID 257 (E): CA 57.880 57.880 56.596 1.284 RESID 257 (E): CB 29.760 29.760 30.414 -0.654 RESID 257 (E): H 8.443 8.443 8.636 -0.193 RESID 258 (S): N 107.500 107.500 113.845 -6.345 RESID 258 (S): C 172.500 172.500 172.565 -0.065 RESID 258 (S): CA 58.010 58.010 58.800 -0.790 RESID 258 (S): CB 66.360 66.360 63.442 2.918 RESID 258 (S): H 7.176 7.176 7.986 -0.810 RESID 259 (L): N 124.900 124.900 127.839 -2.939 RESID 259 (L): C 173.900 173.900 176.341 -2.441 RESID 259 (L): CA 53.630 53.630 54.494 -0.864 RESID 259 (L): CB 46.240 46.240 42.335 3.905 RESID 259 (L): H 8.969 8.969 8.026 0.943 RESID 260 (F): N 123.700 123.700 123.047 0.653 RESID 260 (F): C 174.200 174.200 176.029 -1.829 RESID 260 (F): CA 56.460 56.460 54.970 1.490 RESID 260 (F): CB 41.560 41.560 40.464 1.096 RESID 260 (F): H 9.295 9.295 8.149 1.146 RESID 261 (L): N 123.900 123.900 120.127 3.773 RESID 261 (L): C 177.600 177.600 177.069 0.531 RESID 261 (L): CA 54.010 54.010 53.185 0.825 RESID 261 (L): CB 41.470 41.470 45.520 -4.050 RESID 261 (L): H 9.034 9.034 8.189 0.845 RESID 262 (F): N 123.800 123.800 122.337 1.463 RESID 262 (F): C 175.500 175.500 175.646 -0.146 RESID 262 (F): CA 58.850 58.850 56.835 2.015 RESID 262 (F): CB 39.930 39.930 38.490 1.440 RESID 262 (F): H 9.338 9.338 9.084 0.254 RESID 263 (A): N 121.900 121.900 124.097 -2.197 RESID 263 (A): C 175.300 175.300 177.032 -1.732 RESID 263 (A): CA 53.630 53.630 52.662 0.968 RESID 263 (A): CB 19.700 19.700 16.814 2.886 RESID 263 (A): H 8.902 8.902 8.276 0.626 RESID 264 (G): N 104.500 104.500 111.574 -7.074 RESID 264 (G): C 171.100 171.100 172.727 -1.627 RESID 264 (G): CA 45.540 45.540 45.055 0.485 RESID 264 (G): H 6.746 6.746 7.884 -1.138 RESID 265 (D): N 122.300 122.300 122.644 -0.344 RESID 265 (D): C 177.300 177.300 177.263 0.037 RESID 265 (D): CA 51.660 51.660 52.770 -1.110 RESID 265 (D): CB 42.840 42.840 42.256 0.584 RESID 265 (D): H 9.052 9.052 8.119 0.933 RESID 266 (Q): N 118.400 118.400 119.590 -1.190 RESID 266 (Q): C 177.600 177.600 177.455 0.145 RESID 266 (Q): CA 58.620 58.620 59.055 -0.435 RESID 266 (Q): CB 28.490 28.490 28.647 -0.157 RESID 266 (Q): H 8.277 8.277 8.603 -0.326 RESID 267 (K): N 117.700 117.700 118.771 -1.071 RESID 267 (K): C 180.400 180.400 178.077 2.323 RESID 267 (K): CA 59.390 59.390 59.546 -0.156 RESID 267 (K): CB 31.440 31.440 31.785 -0.345 RESID 267 (K): H 7.879 7.879 7.921 -0.042 RESID 268 (D): N 121.600 121.600 119.656 1.944 RESID 268 (D): C 177.400 177.400 178.339 -0.939 RESID 268 (D): CA 57.980 57.980 56.975 1.004 RESID 268 (D): CB 41.550 41.550 40.252 1.298 RESID 268 (D): H 7.640 7.640 8.112 -0.472 RESID 269 (A): N 121.700 121.700 121.469 0.231 RESID 269 (A): C 179.000 179.000 178.419 0.581 RESID 269 (A): CA 55.640 55.640 54.919 0.721 RESID 269 (A): CB 17.490 17.490 18.192 -0.702 RESID 269 (A): H 7.370 7.370 7.619 -0.249 RESID 270 (D): N 118.200 118.200 117.967 0.233 RESID 270 (D): C 179.300 179.300 176.518 2.782 RESID 270 (D): CA 57.570 57.570 56.313 1.257 RESID 270 (D): CB 39.860 39.860 40.246 -0.386 RESID 270 (D): H 8.735 8.735 7.952 0.783 RESID 271 (A): N 122.900 122.900 119.891 3.009 RESID 271 (A): C 180.800 180.800 179.321 1.479 RESID 271 (A): CA 55.040 55.040 53.565 1.475 RESID 271 (A): CB 18.300 18.300 19.319 -1.019 RESID 271 (A): H 7.579 7.579 7.036 0.543 RESID 272 (I): N 0.000 0.000 120.445 -120.445 RESID 272 (I): C 178.300 178.300 176.951 1.349 RESID 272 (I): CA 63.880 63.880 64.653 -0.773 RESID 272 (I): CB 35.710 35.710 38.124 -2.414 RESID 272 (I): H 7.340 7.340 8.400 -1.060 RESID 273 (Y): N 116.300 116.300 116.943 -0.643 RESID 273 (Y): C 177.000 177.000 176.740 0.260 RESID 273 (Y): CA 61.100 61.100 58.272 2.828 RESID 273 (Y): CB 37.770 37.770 35.842 1.928 RESID 273 (Y): H 7.509 7.509 7.292 0.217 RESID 274 (A): N 118.600 118.600 121.820 -3.220 RESID 274 (A): C 177.200 177.200 177.164 0.036 RESID 274 (A): CA 52.030 52.030 52.989 -0.959 RESID 274 (A): CB 19.580 19.580 19.433 0.147 RESID 274 (A): H 7.495 7.495 7.829 -0.334 RESID 275 (N): N 119.900 119.900 118.232 1.668 RESID 275 (N): C 175.700 175.700 174.014 1.686 RESID 275 (N): CA 51.030 51.030 51.398 -0.368 RESID 275 (N): CB 38.590 38.590 37.021 1.569 RESID 275 (N): H 7.200 7.200 7.949 -0.749 RESID 276 (P): C 178.900 178.900 178.486 0.414 RESID 276 (P): CA 65.190 65.190 65.460 -0.270 RESID 276 (P): CB 32.440 32.440 32.037 0.403 RESID 277 (L): N 116.700 116.700 117.413 -0.713 RESID 277 (L): C 178.000 178.000 178.908 -0.908 RESID 277 (L): CA 56.630 56.630 57.544 -0.914 RESID 277 (L): CB 41.720 41.720 41.506 0.214 RESID 277 (L): H 7.777 7.777 7.923 -0.146 RESID 278 (L): N 115.100 115.100 116.564 -1.464 RESID 278 (L): C 176.600 176.600 177.857 -1.257 RESID 278 (L): CA 53.200 53.200 54.911 -1.711 RESID 278 (L): CB 40.960 40.960 41.295 -0.335 RESID 278 (L): H 7.485 7.485 7.679 -0.194 RESID 279 (A): N 118.600 118.600 123.146 -4.546 RESID 279 (A): C 177.700 177.700 177.818 -0.118 RESID 279 (A): CA 55.090 55.090 54.378 0.712 RESID 279 (A): CB 19.710 19.710 18.605 1.105 RESID 279 (A): H 6.665 6.665 7.906 -1.241 RESID 280 (H): N 111.600 111.600 115.267 -3.667 RESID 280 (H): C 175.500 175.500 175.212 0.288 RESID 280 (H): CA 55.360 55.360 56.284 -0.924 RESID 280 (H): CB 29.540 29.540 28.639 0.901 RESID 280 (H): H 8.337 8.337 8.203 0.134 RESID 281 (L): N 124.100 124.100 122.460 1.640 RESID 281 (L): C 176.300 176.300 175.867 0.433 RESID 281 (L): CA 53.330 53.330 52.959 0.371 RESID 281 (L): CB 40.490 40.490 41.952 -1.462 RESID 281 (L): H 7.289 7.289 7.445 -0.156 RESID 282 (P): C 178.200 178.200 178.379 -0.179 RESID 282 (P): CA 66.050 66.050 65.679 0.371 RESID 282 (P): CB 32.150 32.150 31.730 0.420 RESID 283 (A): N 116.000 116.000 119.319 -3.319 RESID 283 (A): C 179.000 179.000 179.810 -0.810 RESID 283 (A): CA 55.630 55.630 55.191 0.439 RESID 283 (A): CB 19.490 19.490 18.175 1.315 RESID 283 (A): H 7.969 7.969 8.429 -0.460 RESID 284 (V): N 115.200 115.200 118.460 -3.260 RESID 284 (V): C 180.000 180.000 178.935 1.065 RESID 284 (V): CA 65.640 65.640 65.892 -0.252 RESID 284 (V): CB 32.560 32.560 30.819 1.741 RESID 284 (V): H 6.557 6.557 7.679 -1.122 RESID 285 (Q): N 121.200 121.200 120.471 0.729 RESID 285 (Q): C 178.000 178.000 177.662 0.338 RESID 285 (Q): CA 59.500 59.500 58.802 0.698 RESID 285 (Q): CB 29.080 29.080 28.610 0.470 RESID 285 (Q): H 8.581 8.581 7.820 0.761 RESID 286 (N): N 112.600 112.600 114.016 -1.416 RESID 286 (N): C 174.500 174.500 173.859 0.641 RESID 286 (N): CA 53.160 53.160 52.710 0.450 RESID 286 (N): CB 38.390 38.390 38.711 -0.321 RESID 286 (N): H 8.117 8.117 8.067 0.050 RESID 287 (K): N 118.500 118.500 115.870 2.630 RESID 287 (K): C 176.100 176.100 176.233 -0.133 RESID 287 (K): CA 57.540 57.540 57.298 0.242 RESID 287 (K): CB 28.570 28.570 29.576 -1.006 RESID 287 (K): H 7.724 7.724 7.705 0.019 RESID 288 (Q): N 119.700 119.700 117.223 2.477 RESID 288 (Q): C 173.700 173.700 174.075 -0.375 RESID 288 (Q): CA 52.970 52.970 54.794 -1.824 RESID 288 (Q): CB 28.640 28.640 28.722 -0.082 RESID 288 (Q): H 8.895 8.895 8.438 0.457 RESID 289 (V): N 119.200 119.200 118.735 0.465 RESID 289 (V): C 175.100 175.100 175.153 -0.053 RESID 289 (V): CA 61.600 61.600 61.113 0.487 RESID 289 (V): CB 32.610 32.610 34.076 -1.466 RESID 289 (V): H 6.246 6.246 6.912 -0.666 RESID 290 (Y): N 125.700 125.700 124.721 0.979 RESID 290 (Y): C 174.100 174.100 174.396 -0.296 RESID 290 (Y): CA 56.830 56.830 56.630 0.201 RESID 290 (Y): CB 40.950 40.950 42.366 -1.416 RESID 290 (Y): H 8.682 8.682 9.094 -0.412 RESID 291 (A): N 126.900 126.900 122.020 4.880 RESID 291 (A): C 178.300 178.300 176.754 1.546 RESID 291 (A): CA 51.560 51.560 50.374 1.186 RESID 291 (A): CB 19.670 19.670 21.254 -1.584 RESID 291 (A): H 9.057 9.057 8.651 0.406 RESID 292 (L): N 120.800 120.800 119.799 1.001 RESID 292 (L): C 175.500 175.500 176.220 -0.720 RESID 292 (L): CA 54.880 54.880 54.227 0.653 RESID 292 (L): CB 42.490 42.490 42.274 0.216 RESID 292 (L): H 8.342 8.342 8.924 -0.582 RESID 293 (G): N 107.500 107.500 103.885 3.615 RESID 293 (G): C 177.600 177.600 174.121 3.479 RESID 293 (G): CA 45.110 45.110 44.428 0.682 RESID 293 (G): H 7.973 7.973 7.386 0.587 RESID 294 (T): N 117.800 117.800 116.756 1.044 RESID 294 (T): C 176.400 176.400 176.021 0.379 RESID 294 (T): CA 65.260 65.260 65.238 0.022 RESID 294 (T): CB 68.310 68.310 69.155 -0.845 RESID 294 (T): H 8.808 8.808 8.577 0.231 RESID 295 (E): N 122.100 122.100 119.898 2.202 RESID 295 (E): C 177.700 177.700 176.603 1.097 RESID 295 (E): CA 58.540 58.540 58.336 0.204 RESID 295 (E): CB 29.010 29.010 28.771 0.239 RESID 295 (E): H 10.380 10.380 8.844 1.536 RESID 296 (T): N 103.000 103.000 108.654 -5.654 RESID 296 (T): C 173.600 173.600 174.356 -0.756 RESID 296 (T): CA 62.320 62.320 61.293 1.027 RESID 296 (T): CB 69.170 69.170 67.808 1.362 RESID 296 (T): H 7.062 7.062 7.915 -0.853 RESID 297 (F): N 121.500 121.500 122.993 -1.493 RESID 297 (F): C 174.500 174.500 175.879 -1.379 RESID 297 (F): CA 61.700 61.700 61.015 0.685 RESID 297 (F): CB 39.640 39.640 39.764 -0.124 RESID 297 (F): H 8.108 8.108 7.666 0.442 RESID 298 (R): N 116.800 116.800 119.763 -2.963 RESID 298 (R): C 176.000 176.000 175.112 0.888 RESID 298 (R): CA 54.160 54.160 55.801 -1.641 RESID 298 (R): CB 32.460 32.460 31.114 1.346 RESID 298 (R): H 7.552 7.552 8.261 -0.709 RESID 299 (L): N 125.500 125.500 126.409 -0.909 RESID 299 (L): C 174.800 174.800 174.620 0.180 RESID 299 (L): CA 54.300 54.300 53.994 0.306 RESID 299 (L): CB 41.670 41.670 43.967 -2.297 RESID 299 (L): H 8.903 8.903 8.416 0.487 RESID 300 (D): N 124.600 124.600 124.184 0.416 RESID 300 (D): C 173.400 173.400 175.602 -2.202 RESID 300 (D): CA 51.880 51.880 53.152 -1.272 RESID 300 (D): CB 43.230 43.230 42.505 0.725 RESID 300 (D): H 7.735 7.735 8.745 -1.010 RESID 301 (Y): N 118.100 118.100 121.403 -3.303 RESID 301 (Y): C 175.300 175.300 176.152 -0.852 RESID 301 (Y): CA 61.650 61.650 63.293 -1.643 RESID 301 (Y): CB 38.740 38.740 38.697 0.043 RESID 301 (Y): H 7.943 7.943 8.996 -1.053 RESID 302 (Y): N 112.300 112.300 115.420 -3.120 RESID 302 (Y): C 180.800 180.800 177.628 3.172 RESID 302 (Y): CA 61.970 61.970 60.906 1.064 RESID 302 (Y): CB 37.990 37.990 38.000 -0.010 RESID 302 (Y): H 7.309 7.309 8.117 -0.808 RESID 303 (S): N 119.100 119.100 115.770 3.330 RESID 303 (S): C 176.300 176.300 176.497 -0.197 RESID 303 (S): CA 60.690 60.690 61.470 -0.780 RESID 303 (S): CB 63.180 63.180 62.555 0.625 RESID 303 (S): H 9.411 9.411 9.432 -0.021 RESID 304 (A): N 126.900 126.900 125.485 1.415 RESID 304 (A): C 180.400 180.400 179.349 1.051 RESID 304 (A): CA 56.000 56.000 54.909 1.091 RESID 304 (A): CB 18.040 18.040 17.918 0.122 RESID 304 (A): H 8.860 8.860 7.826 1.034 RESID 305 (M): N 116.600 116.600 117.981 -1.381 RESID 305 (M): C 179.300 179.300 178.875 0.425 RESID 305 (M): CA 57.880 57.880 59.765 -1.885 RESID 305 (M): CB 31.350 31.350 32.394 -1.044 RESID 305 (M): H 7.346 7.346 7.512 -0.166 RESID 306 (Q): N 119.300 119.300 118.839 0.461 RESID 306 (Q): C 179.000 179.000 178.837 0.163 RESID 306 (Q): CA 59.410 59.410 58.885 0.525 RESID 306 (Q): CB 28.450 28.450 28.828 -0.378 RESID 306 (Q): H 7.633 7.633 7.779 -0.146 RESID 308 (L): C 178.700 178.700 178.495 0.205 RESID 308 (L): CA 58.690 58.690 58.422 0.268 RESID 308 (L): CB 41.790 41.790 41.386 0.404 RESID 309 (D): N 119.100 119.100 119.060 0.040 RESID 309 (D): C 179.600 179.600 178.887 0.713 RESID 309 (D): CA 57.830 57.830 57.547 0.283 RESID 309 (D): CB 40.820 40.820 40.337 0.483 RESID 309 (D): H 7.984 7.984 8.033 -0.049 RESID 310 (R): N 121.700 121.700 120.614 1.086 RESID 310 (R): C 178.900 178.900 178.728 0.172 RESID 310 (R): CA 58.590 58.590 59.189 -0.599 RESID 310 (R): CB 29.820 29.820 30.151 -0.331 RESID 310 (R): H 8.463 8.463 7.597 0.866 RESID 311 (L): N 119.200 119.200 119.913 -0.713 RESID 311 (L): C 178.800 178.800 178.728 0.072 RESID 311 (L): CA 58.380 58.380 58.112 0.268 RESID 311 (L): CB 42.340 42.340 41.838 0.502 RESID 311 (L): H 8.489 8.489 8.329 0.160 RESID 312 (K): N 116.500 116.500 118.740 -2.240 RESID 312 (K): C 178.000 178.000 178.409 -0.409 RESID 312 (K): CA 59.250 59.250 59.179 0.071 RESID 312 (K): CB 32.440 32.440 32.493 -0.053 RESID 312 (K): H 7.955 7.955 8.172 -0.217 RESID 313 (A): N 119.500 119.500 120.808 -1.308 RESID 313 (A): C 180.000 180.000 178.647 1.353 RESID 313 (A): CA 53.920 53.920 53.297 0.622 RESID 313 (A): CB 18.800 18.800 19.249 -0.449 RESID 313 (A): H 7.427 7.427 7.737 -0.310 RESID 314 (L): N 119.500 119.500 119.152 0.348 RESID 314 (L): C 177.400 177.400 176.452 0.948 RESID 314 (L): CA 56.770 56.770 57.234 -0.464 RESID 314 (L): CB 43.730 43.730 42.355 1.375 RESID 314 (L): H 7.431 7.431 8.136 -0.705 N HA C CA CB H RESID 26 (W): -3.509 ----- -0.877 0.340 3.248 0.208 RESID 27 (P): ----- ----- 0.002 -0.293 4.944 ----- RESID 28 (R): -3.849 ----- -1.394 0.722 0.758 0.065 RESID 29 (Q): -0.812 ----- 0.594 -1.261 1.430 -0.084 RESID 30 (I): -1.811 ----- 0.639 -0.914 -0.534 1.071 RESID 31 (T): 3.171 ----- 0.738 -1.310 1.048 0.585 RESID 32 (D): 5.656 ----- 1.397 0.832 -0.462 1.398 RESID 33 (S): -4.469 ----- -0.572 0.373 -0.377 -0.220 RESID 34 (R): -2.367 ----- -0.641 -3.644 0.189 0.373 RESID 35 (G): 5.139 ----- -2.251 -0.515 ----- -0.765 RESID 36 (T): 0.135 ----- 0.800 0.036 -0.124 0.591 RESID 37 (H): 0.460 ----- 0.735 -1.305 -2.006 0.359 RESID 38 (T): 4.068 ----- 1.360 2.102 -1.226 1.531 RESID 39 (L): 7.163 ----- 0.096 0.516 -0.883 0.441 RESID 40 (E): -1.666 ----- -0.316 0.325 0.480 0.133 RESID 41 (S): -1.879 ----- -1.481 -0.912 0.607 -0.157 RESID 42 (Q): 3.296 ----- -0.158 -2.004 0.534 -1.262 RESID 43 (P): ----- ----- -0.399 0.776 0.076 ----- RESID 44 (Q): 2.643 ----- -0.651 -1.535 2.912 2.591 RESID 45 (R): 8.197 ----- 0.500 0.066 0.023 2.443 RESID 47 (V): ----- ----- 0.255 -0.248 -0.269 ----- RESID 48 (S): -1.916 ----- 1.701 -2.064 -1.649 -0.743 RESID 49 (T): 4.280 ----- -2.957 0.974 -0.425 -0.320 RESID 50 (S): -0.590 ----- -0.552 -2.128 0.049 -0.112 RESID 51 (V): 4.973 ----- -2.733 -0.249 -0.111 0.179 RESID 52 (T): 0.547 ----- 3.170 1.164 0.563 -0.165 RESID 53 (L): 1.067 ----- 0.306 -0.767 0.827 -0.573 RESID 54 (T): 1.766 ----- -1.746 -0.658 ----- -0.099 RESID 55 (G): -3.697 ----- -0.188 0.303 ----- -1.278 RESID 56 (S): -0.780 ----- -1.154 1.921 1.970 -1.256 RESID 58 (L): ----- ----- 1.775 -0.296 -0.100 ----- RESID 59 (A): -0.743 ----- -0.303 0.740 -0.316 -0.313 RESID 60 (I): ----- ----- -1.546 0.152 0.451 ----- RESID 61 (D): -2.324 ----- 0.244 0.044 -0.025 -0.003 RESID 62 (A): -3.204 ----- 2.620 -1.087 -1.725 0.147 RESID 63 (P): ----- ----- -2.156 0.405 -4.890 ----- RESID 64 (V): 3.953 ----- -0.929 -1.454 -0.817 0.434 RESID 65 (I): -4.296 ----- 1.554 -2.997 1.275 0.221 RESID 66 (A): 4.291 ----- -0.081 0.636 1.464 -0.407 RESID 67 (S): -5.050 ----- 2.244 -2.090 -2.423 0.245 RESID 68 (G): 5.624 ----- -1.615 2.060 ----- -1.054 RESID 69 (A): -3.659 ----- 2.721 -1.161 2.079 -0.822 RESID 70 (T): 5.704 ----- -2.722 -3.141 1.015 1.087 RESID 71 (T): -5.177 ----- -0.419 0.049 1.544 -0.807 RESID 72 (P): ----- ----- 0.981 -0.210 0.738 ----- RESID 73 (N): -4.559 ----- -1.612 0.732 -1.445 -0.700 RESID 74 (N): ----- ----- -1.115 5.026 0.354 ----- RESID 75 (R): -6.258 ----- -0.149 1.108 1.037 -0.275 RESID 76 (V): -10.376 ----- 0.079 -2.900 2.041 -0.829 RESID 77 (A): 5.944 ----- -1.104 -1.042 5.108 0.728 RESID 78 (D): 1.758 ----- 2.198 -0.949 0.361 0.429 RESID 79 (D): 0.837 ----- 0.283 1.080 0.879 -0.167 RESID 80 (Q): -4.354 ----- -1.185 -1.519 2.416 -0.184 RESID 81 (G): 0.001 ----- 0.860 0.945 ----- -0.648 RESID 82 (F): 0.627 ----- -0.433 -4.250 -2.627 0.307 RESID 83 (L): ----- ----- 0.954 0.351 -3.487 ----- RESID 84 (R): 0.304 ----- 0.751 3.438 1.650 -0.690 RESID 85 (Q): -2.592 ----- -2.677 0.195 -3.166 1.867 RESID 86 (W): -6.516 ----- -1.787 -5.077 -2.071 -1.942 RESID 87 (S): 3.724 ----- 1.453 0.601 ----- -1.250 RESID 88 (K): -3.928 ----- 0.176 0.475 -0.088 0.991 RESID 89 (V): 6.336 ----- 0.796 0.089 0.500 -0.694 RESID 90 (A): -0.417 ----- 1.083 1.374 1.442 0.681 RESID 91 (K): -0.416 ----- 3.025 0.997 0.004 -0.257 RESID 92 (E): 5.110 ----- 1.503 2.295 -0.681 0.478 RESID 93 (R): -3.146 ----- 0.332 0.792 -1.539 -0.279 RESID 94 (K): 1.773 ----- 0.660 -0.654 -1.425 -0.700 RESID 95 (L): -1.107 ----- 0.290 0.748 1.032 0.082 RESID 96 (Q): 0.376 ----- -0.981 0.602 0.334 -0.884 RESID 97 (R): 6.477 ----- 0.582 -1.049 1.610 0.503 RESID 98 (L): 3.533 ----- -0.395 2.469 3.294 -0.454 RESID 99 (Y): -2.104 ----- -1.380 -0.818 -1.010 -1.363 RESID 100 (I): -6.210 ----- -0.342 -1.792 3.582 0.104 RESID 101 (G): 0.877 ----- -0.702 2.211 ----- -0.262 RESID 102 (E): 10.905 ----- -0.785 0.469 2.029 0.286 RESID 103 (P): ----- ----- -0.826 -1.377 -0.077 ----- RESID 104 (S): -5.245 ----- 0.151 -3.141 -0.048 -2.550 RESID 105 (A): 0.216 ----- 0.340 0.738 -0.901 0.336 RESID 106 (E): 0.354 ----- 0.436 1.237 -0.472 0.147 RESID 107 (A): -0.780 ----- 0.311 -0.435 0.845 -0.182 RESID 108 (V): -1.687 ----- -0.934 1.167 0.341 -0.534 RESID 109 (A): -1.979 ----- 1.775 0.527 -0.205 0.062 RESID 110 (A): -0.736 ----- 0.255 -0.248 -0.028 -0.303 RESID 111 (Q): -1.031 ----- -1.051 0.910 -0.213 -0.298 RESID 112 (M): -6.120 ----- 0.068 0.378 -1.434 -0.059 RESID 113 (P): ----- ----- 0.416 0.202 0.366 ----- RESID 114 (D): -2.129 ----- -0.027 -2.064 -1.977 0.622 RESID 115 (L): ----- ----- 0.602 -1.329 ----- ----- RESID 116 (I): -2.753 ----- ----- 0.164 ----- 1.306 RESID 118 (I): ----- ----- -1.038 0.463 1.167 ----- RESID 119 (S): -0.019 ----- 0.561 -0.591 0.681 1.020 RESID 120 (A): 1.325 ----- -0.540 -0.001 1.441 -0.569 RESID 121 (T): -3.129 ----- -0.196 -2.443 1.602 -0.183 RESID 122 (G): -6.754 ----- 3.095 -0.765 ----- 0.195 RESID 123 (G): ----- ----- -0.218 1.036 ----- ----- RESID 124 (D): -2.245 ----- 1.160 -0.605 0.071 0.892 RESID 125 (S): -4.024 ----- 1.724 0.082 0.119 -1.115 RESID 126 (A): 4.803 ----- -1.958 -2.347 -2.239 0.232 RESID 127 (L): -0.025 ----- 0.558 1.460 1.227 -0.796 RESID 128 (A): 3.469 ----- 0.780 0.842 -0.499 1.296 RESID 129 (L): 0.673 ----- -0.866 -1.264 -0.415 0.356 RESID 130 (Y): -0.825 ----- 0.398 1.427 1.051 -1.095 RESID 131 (D): 1.163 ----- -0.102 0.598 0.289 0.917 RESID 132 (Q): -0.975 ----- 0.298 0.187 0.599 -0.151 RESID 133 (L): -0.450 ----- -0.695 0.251 -0.816 -0.360 RESID 134 (S): -3.110 ----- -0.352 0.224 0.752 -0.335 RESID 135 (T): -4.905 ----- -1.306 -2.072 0.661 -0.606 RESID 136 (I): 3.913 ----- 0.227 -0.082 0.302 0.341 RESID 137 (A): 1.858 ----- -1.679 -0.114 -0.156 -0.431 RESID 138 (P): ----- ----- -1.496 1.097 0.084 ----- RESID 139 (T): 2.160 ----- -0.040 -1.546 1.852 -0.160 RESID 140 (L): ----- ----- 0.614 -0.784 0.554 ----- RESID 141 (I): -2.014 ----- 1.021 -0.866 0.938 1.461 RESID 142 (I): 1.936 ----- 0.228 -1.901 -2.509 0.071 RESID 143 (N): 4.910 ----- 0.480 -1.971 0.125 0.710 RESID 144 (Y): -6.165 ----- 1.690 -3.734 -0.123 0.022 RESID 145 (D): 0.791 ----- 1.773 -0.213 3.350 0.442 RESID 146 (D): 4.147 ----- -0.080 -0.390 -1.683 -1.038 RESID 147 (K): -5.752 ----- -0.274 -1.546 -1.758 -0.551 RESID 148 (S): -0.481 ----- -0.385 -0.073 0.713 0.221 RESID 149 (W): 1.775 ----- 2.078 1.333 -0.721 -0.128 RESID 150 (Q): 3.202 ----- 0.291 3.381 -1.209 1.612 RESID 151 (S): 1.289 ----- 0.488 0.595 0.619 0.034 RESID 152 (L): 2.271 ----- 0.578 0.387 0.289 0.060 RESID 153 (L): 0.565 ----- 1.041 1.430 -0.100 0.939 RESID 154 (T): 3.522 ----- 0.304 1.323 0.531 0.147 RESID 155 (Q): 3.510 ----- 1.202 1.376 0.264 0.313 RESID 156 (L): ----- ----- 1.638 0.617 -0.128 ----- RESID 157 (G): 5.798 ----- -0.569 1.785 ----- 1.223 RESID 158 (E): 4.843 ----- 0.659 1.266 0.320 0.022 RESID 160 (T): ----- ----- 2.289 -1.159 2.680 ----- RESID 161 (G): -0.277 ----- 0.450 1.246 ----- -0.873 RESID 162 (H): 4.954 ----- -2.163 -0.484 -3.007 0.672 RESID 163 (E): 1.757 ----- 2.335 1.429 -0.440 1.541 RESID 164 (K): 0.226 ----- -0.089 -0.459 0.309 0.397 RESID 165 (Q): 2.198 ----- 0.666 2.025 -0.265 -0.485 RESID 166 (A): -1.329 ----- -1.425 1.322 0.223 -0.146 RESID 167 (A): -3.035 ----- 1.891 -0.156 -0.311 -1.114 RESID 168 (E): 1.526 ----- 0.471 -0.006 0.450 0.314 RESID 170 (I): ----- ----- 0.002 1.572 1.359 ----- RESID 171 (A): -2.461 ----- 1.361 -0.348 0.146 -0.775 RESID 172 (Q): 2.573 ----- 0.619 0.712 -0.258 0.642 RESID 173 (F): -0.134 ----- -1.012 1.591 0.368 -0.309 RESID 174 (D): 0.902 ----- 1.419 0.547 -0.092 -0.265 RESID 175 (K): 1.084 ----- 1.164 -0.011 0.315 -0.065 RESID 176 (Q): 2.107 ----- 0.766 -0.476 -0.535 0.347 RESID 177 (L): 5.991 ----- -0.269 2.647 -0.158 1.210 RESID 178 (A): -1.054 ----- 1.373 0.194 0.090 -0.546 RESID 179 (A): -0.776 ----- 0.712 0.335 -0.406 0.049 RESID 180 (A): -0.032 ----- 0.095 0.751 -0.266 0.168 RESID 181 (K): 0.101 ----- -0.121 0.610 0.706 0.012 RESID 182 (E): -2.180 ----- -0.148 0.723 1.075 -0.595 RESID 183 (Q): -0.685 ----- 1.019 0.225 0.436 -0.180 RESID 184 (I): 1.947 ----- 0.954 3.254 0.347 0.292 RESID 185 (K): 4.945 ----- 0.268 -0.501 -2.754 0.806 RESID 186 (L): -0.680 ----- -0.148 2.073 0.257 -0.513 RESID 188 (P): ----- ----- -1.454 1.469 1.006 ----- RESID 189 (Q): 0.232 ----- 1.880 -2.397 0.976 -0.165 RESID 190 (P): ----- ----- -0.042 0.370 2.622 ----- RESID 191 (V): -8.931 ----- 0.343 0.216 0.334 0.681 RESID 192 (T): 7.351 ----- 0.214 3.501 0.302 0.130 RESID 193 (A): 9.926 ----- 0.000 -0.568 -0.302 1.612 RESID 194 (I): -2.082 ----- 2.907 -0.462 1.808 0.746 RESID 195 (V): -4.267 ----- 2.136 1.809 0.138 -0.165 RESID 196 (Y): 2.729 ----- 0.554 -0.415 1.041 1.009 RESID 197 (T): 1.501 ----- 0.931 0.109 -3.049 0.429 RESID 198 (A): -0.237 ----- 1.142 1.151 0.070 -0.334 RESID 199 (A): -4.866 ----- -1.004 -0.517 0.428 0.287 RESID 200 (A): -3.833 ----- -0.658 -0.768 1.314 -1.469 RESID 201 (H): 0.299 ----- -0.503 0.366 -0.438 -0.242 RESID 202 (S): -3.963 ----- 0.049 -1.070 -0.125 -0.696 RESID 203 (A): -2.950 ----- -0.383 -0.528 2.311 0.314 RESID 204 (N): 0.045 ----- -0.150 -0.544 -2.095 0.103 RESID 205 (L): 5.491 ----- 0.135 0.859 1.522 1.649 RESID 206 (W): 1.650 ----- 0.650 -0.743 -1.129 0.646 RESID 207 (T): 1.800 ----- 2.819 0.889 -1.846 -0.107 RESID 208 (P): ----- ----- -0.858 0.723 -0.218 ----- RESID 209 (E): -2.737 ----- 0.290 0.057 -0.383 -0.355 RESID 210 (S): 0.733 ----- -1.633 -1.122 2.847 0.226 RESID 211 (A): -2.126 ----- 0.751 0.095 -0.233 -0.145 RESID 212 (Q): 0.563 ----- -0.916 2.442 -0.330 0.018 RESID 213 (G): -0.159 ----- -0.915 0.693 ----- -0.245 RESID 214 (Q): -0.784 ----- 0.612 0.282 0.414 0.416 RESID 215 (M): -1.415 ----- -0.367 0.116 -0.798 -0.307 RESID 216 (L): -3.029 ----- 0.867 0.509 -1.449 -0.469 RESID 217 (E): 1.325 ----- 2.951 1.289 -0.272 0.187 RESID 218 (Q): 5.163 ----- -0.779 0.952 -0.268 0.543 RESID 219 (L): 0.656 ----- -2.241 -1.363 1.457 -0.341 RESID 220 (G): 1.898 ----- 1.771 0.065 ----- -0.384 RESID 221 (F): 0.180 ----- 0.859 1.940 -3.851 0.227 RESID 222 (T): 1.595 ----- 0.523 0.585 1.609 0.396 RESID 223 (L): 1.202 ----- 1.658 1.356 -1.131 1.060 RESID 224 (A): -1.321 ----- 1.537 1.466 -2.179 0.976 RESID 225 (K): 2.242 ----- 0.611 0.024 0.177 0.239 RESID 226 (L): -1.801 ----- -0.109 -0.537 0.471 0.113 RESID 227 (P): ----- ----- -0.267 -0.029 0.172 ----- RESID 228 (A): 0.070 ----- 1.015 0.707 0.006 -0.099 RESID 229 (G): 0.206 ----- -0.993 0.609 ----- 0.468 RESID 230 (L): -1.229 ----- -1.453 0.084 0.937 -0.425 RESID 231 (N): -0.442 ----- -0.616 -2.493 0.946 0.185 RESID 232 (A): 4.945 ----- 0.048 1.404 1.311 0.161 RESID 233 (S): -0.060 ----- -0.477 -1.758 0.942 -0.268 RESID 234 (Q): 1.561 ----- 0.713 0.183 -1.319 0.462 RESID 235 (S): -1.014 ----- 0.228 -0.006 1.633 -0.209 RESID 236 (Q): -4.813 ----- 1.260 1.112 1.648 -0.475 RESID 237 (G): 1.367 ----- 1.140 0.257 ----- 0.800 RESID 238 (K): -0.960 ----- 1.116 0.464 0.559 -0.391 RESID 239 (R): -4.103 ----- ----- 0.195 0.649 -0.341 RESID 240 (H): ----- ----- -1.712 -2.904 -0.309 ----- RESID 241 (D): 0.576 ----- -1.568 -0.475 -0.666 0.663 RESID 242 (I): 0.172 ----- 1.207 -0.323 2.752 -0.324 RESID 243 (I): -1.127 ----- 1.029 -0.290 2.896 0.242 RESID 244 (Q): 0.848 ----- 1.044 1.528 0.034 0.169 RESID 245 (L): 2.013 ----- -0.415 0.684 0.236 0.308 RESID 246 (G): 4.629 ----- -0.121 -0.457 ----- -0.021 RESID 247 (G): -0.157 ----- 1.826 3.146 ----- 0.933 RESID 248 (E): 2.492 ----- 0.798 1.049 0.169 0.449 RESID 249 (N): 0.099 ----- -0.504 -0.072 0.570 0.205 RESID 250 (L): 1.166 ----- -0.991 1.757 0.745 -0.696 RESID 251 (A): -4.965 ----- 1.331 0.680 -0.426 -0.173 RESID 252 (A): -1.205 ----- 0.769 1.575 0.021 -1.036 RESID 253 (G): -7.302 ----- -2.104 0.355 ----- 0.039 RESID 254 (L): 1.961 ----- -2.244 -1.846 -3.009 -0.597 RESID 255 (N): -7.644 ----- 0.359 -0.585 -1.236 -1.139 RESID 256 (G): 2.548 ----- -2.450 0.469 ----- -0.693 RESID 257 (E): 1.561 ----- 1.485 1.284 -0.654 -0.193 RESID 258 (S): -6.345 ----- -0.065 -0.790 2.918 -0.810 RESID 259 (L): -2.939 ----- -2.441 -0.864 3.905 0.943 RESID 260 (F): 0.653 ----- -1.829 1.490 1.096 1.146 RESID 261 (L): 3.773 ----- 0.531 0.825 -4.050 0.845 RESID 262 (F): 1.463 ----- -0.146 2.015 1.440 0.254 RESID 263 (A): -2.197 ----- -1.732 0.968 2.886 0.626 RESID 264 (G): -7.074 ----- -1.627 0.485 ----- -1.138 RESID 265 (D): -0.344 ----- 0.037 -1.110 0.584 0.933 RESID 266 (Q): -1.190 ----- 0.145 -0.435 -0.157 -0.326 RESID 267 (K): -1.071 ----- 2.323 -0.156 -0.345 -0.042 RESID 268 (D): 1.944 ----- -0.939 1.004 1.298 -0.472 RESID 269 (A): 0.231 ----- 0.581 0.721 -0.702 -0.249 RESID 270 (D): 0.233 ----- 2.782 1.257 -0.386 0.783 RESID 271 (A): 3.009 ----- 1.479 1.475 -1.019 0.543 RESID 272 (I): -120.445 ----- 1.349 -0.773 -2.414 -1.060 RESID 273 (Y): -0.643 ----- 0.260 2.828 1.928 0.217 RESID 274 (A): -3.220 ----- 0.036 -0.959 0.147 -0.334 RESID 275 (N): 1.668 ----- 1.686 -0.368 1.569 -0.749 RESID 276 (P): ----- ----- 0.414 -0.270 0.403 ----- RESID 277 (L): -0.713 ----- -0.908 -0.914 0.214 -0.146 RESID 278 (L): -1.464 ----- -1.257 -1.711 -0.335 -0.194 RESID 279 (A): -4.546 ----- -0.118 0.712 1.105 -1.241 RESID 280 (H): -3.667 ----- 0.288 -0.924 0.901 0.134 RESID 281 (L): 1.640 ----- 0.433 0.371 -1.462 -0.156 RESID 282 (P): ----- ----- -0.179 0.371 0.420 ----- RESID 283 (A): -3.319 ----- -0.810 0.439 1.315 -0.460 RESID 284 (V): -3.260 ----- 1.065 -0.252 1.741 -1.122 RESID 285 (Q): 0.729 ----- 0.338 0.698 0.470 0.761 RESID 286 (N): -1.416 ----- 0.641 0.450 -0.321 0.050 RESID 287 (K): 2.630 ----- -0.133 0.242 -1.006 0.019 RESID 288 (Q): 2.477 ----- -0.375 -1.824 -0.082 0.457 RESID 289 (V): 0.465 ----- -0.053 0.487 -1.466 -0.666 RESID 290 (Y): 0.979 ----- -0.296 0.201 -1.416 -0.412 RESID 291 (A): 4.880 ----- 1.546 1.186 -1.584 0.406 RESID 292 (L): 1.001 ----- -0.720 0.653 0.216 -0.582 RESID 293 (G): 3.615 ----- 3.479 0.682 ----- 0.587 RESID 294 (T): 1.044 ----- 0.379 0.022 -0.845 0.231 RESID 295 (E): 2.202 ----- 1.097 0.204 0.239 1.536 RESID 296 (T): -5.654 ----- -0.756 1.027 1.362 -0.853 RESID 297 (F): -1.493 ----- -1.379 0.685 -0.124 0.442 RESID 298 (R): -2.963 ----- 0.888 -1.641 1.346 -0.709 RESID 299 (L): -0.909 ----- 0.180 0.306 -2.297 0.487 RESID 300 (D): 0.416 ----- -2.202 -1.272 0.725 -1.010 RESID 301 (Y): -3.303 ----- -0.852 -1.643 0.043 -1.053 RESID 302 (Y): -3.120 ----- 3.172 1.064 -0.010 -0.808 RESID 303 (S): 3.330 ----- -0.197 -0.780 0.625 -0.021 RESID 304 (A): 1.415 ----- 1.051 1.091 0.122 1.034 RESID 305 (M): -1.381 ----- 0.425 -1.885 -1.044 -0.166 RESID 306 (Q): 0.461 ----- 0.163 0.525 -0.378 -0.146 RESID 308 (L): ----- ----- 0.205 0.268 0.404 ----- RESID 309 (D): 0.040 ----- 0.713 0.283 0.483 -0.049 RESID 310 (R): 1.086 ----- 0.172 -0.599 -0.331 0.866 RESID 311 (L): -0.713 ----- 0.072 0.268 0.502 0.160 RESID 312 (K): -2.240 ----- -0.409 0.071 -0.053 -0.217 RESID 313 (A): -1.308 ----- 1.353 0.622 -0.449 -0.310 RESID 314 (L): 0.348 ----- 0.948 -0.464 1.375 -0.705 DATA CS_STAT_INFO N RMS: 8.228 ppm Count: 256 Average Difference: 0.478 +/- 8.230 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.223 ppm Count: 281 Average Difference: -0.160 +/- 1.214 ppm DATA CS_STAT_INFO CA RMS: 1.343 ppm Count: 283 Average Difference: -0.098 +/- 1.342 ppm DATA CS_STAT_INFO CB RMS: 1.429 ppm Count: 260 Average Difference: -0.162 +/- 1.422 ppm DATA CS_STAT_INFO HN RMS: 0.717 ppm Count: 256 Average Difference: -0.018 +/- 0.719 ppm ############################################################################ For conformer 28: Atom Original Corrected SPARTA Difference RESID 25 (D): N 120.600 120.600 120.256 0.344 RESID 25 (D): C 174.400 174.400 175.353 -0.953 RESID 25 (D): CA 55.230 55.230 53.186 2.044 RESID 25 (D): CB 41.340 41.340 41.677 -0.337 RESID 25 (D): H 8.275 8.275 8.094 0.181 RESID 26 (W): N 120.100 120.100 123.563 -3.463 RESID 26 (W): C 174.200 174.200 175.074 -0.874 RESID 26 (W): CA 55.330 55.330 54.937 0.393 RESID 26 (W): CB 31.090 31.090 27.819 3.271 RESID 26 (W): H 7.788 7.788 7.674 0.114 RESID 27 (P): C 175.900 175.900 175.905 -0.005 RESID 27 (P): CA 62.800 62.800 63.092 -0.292 RESID 27 (P): CB 37.260 37.260 32.328 4.932 RESID 28 (R): N 118.000 118.000 121.820 -3.820 RESID 28 (R): C 173.700 173.700 175.091 -1.391 RESID 28 (R): CA 55.160 55.160 54.458 0.702 RESID 28 (R): CB 33.430 33.430 32.674 0.756 RESID 28 (R): H 8.686 8.686 8.621 0.065 RESID 29 (Q): N 120.800 120.800 121.601 -0.801 RESID 29 (Q): C 175.500 175.500 174.909 0.591 RESID 29 (Q): CA 54.780 54.780 56.047 -1.267 RESID 29 (Q): CB 30.700 30.700 29.275 1.425 RESID 29 (Q): H 8.506 8.506 8.590 -0.084 RESID 30 (I): N 124.300 124.300 126.095 -1.795 RESID 30 (I): C 175.700 175.700 175.038 0.662 RESID 30 (I): CA 58.520 58.520 59.429 -0.909 RESID 30 (I): CB 40.680 40.680 41.235 -0.555 RESID 30 (I): H 9.002 9.002 7.943 1.059 RESID 31 (T): N 125.200 125.200 122.020 3.180 RESID 31 (T): C 174.400 174.400 173.661 0.739 RESID 31 (T): CA 62.150 62.150 63.430 -1.280 RESID 31 (T): CB 70.640 70.640 69.600 1.040 RESID 31 (T): H 8.989 8.989 8.403 0.586 RESID 32 (D): N 129.500 129.500 124.227 5.273 RESID 32 (D): C 177.400 177.400 176.335 1.065 RESID 32 (D): CA 52.630 52.630 52.016 0.614 RESID 32 (D): CB 42.950 42.950 43.955 -1.005 RESID 32 (D): H 9.389 9.389 7.994 1.395 RESID 33 (S): N 111.900 111.900 116.391 -4.491 RESID 33 (S): C 175.600 175.600 176.142 -0.542 RESID 33 (S): CA 60.920 60.920 60.596 0.324 RESID 33 (S): CB 63.430 63.430 63.804 -0.374 RESID 33 (S): H 8.075 8.075 8.298 -0.223 RESID 34 (R): N 120.600 120.600 122.969 -2.369 RESID 34 (R): C 176.100 176.100 176.750 -0.650 RESID 34 (R): CA 55.020 55.020 58.669 -3.649 RESID 34 (R): CB 30.850 30.850 30.650 0.200 RESID 34 (R): H 8.433 8.433 8.067 0.366 RESID 35 (G): N 108.900 108.900 103.786 5.114 RESID 35 (G): C 171.200 171.200 173.455 -2.255 RESID 35 (G): CA 45.060 45.060 45.579 -0.519 RESID 35 (G): H 7.837 7.837 8.605 -0.768 RESID 36 (T): N 116.300 116.300 115.867 0.433 RESID 36 (T): C 173.800 173.800 172.852 0.948 RESID 36 (T): CA 62.670 62.670 62.574 0.096 RESID 36 (T): CB 70.000 70.000 70.193 -0.193 RESID 36 (T): H 8.192 8.192 7.654 0.538 RESID 37 (H): N 125.800 125.800 125.345 0.455 RESID 37 (H): C 174.000 174.000 173.260 0.740 RESID 37 (H): CA 54.060 54.060 55.368 -1.308 RESID 37 (H): CB 31.020 31.020 33.033 -2.013 RESID 37 (H): H 8.986 8.986 8.621 0.365 RESID 38 (T): N 121.500 121.500 117.525 3.975 RESID 38 (T): C 174.200 174.200 172.858 1.342 RESID 38 (T): CA 63.190 63.190 61.098 2.092 RESID 38 (T): CB 70.080 70.080 71.295 -1.215 RESID 38 (T): H 9.101 9.101 7.589 1.512 RESID 39 (L): N 129.600 129.600 122.473 7.127 RESID 39 (L): C 176.900 176.900 176.817 0.083 RESID 39 (L): CA 53.990 53.990 53.477 0.513 RESID 39 (L): CB 43.160 43.160 44.040 -0.880 RESID 39 (L): H 9.145 9.145 8.702 0.443 RESID 40 (E): N 124.300 124.300 125.983 -1.683 RESID 40 (E): C 175.600 175.600 175.927 -0.327 RESID 40 (E): CA 59.420 59.420 59.101 0.319 RESID 40 (E): CB 30.710 30.710 30.229 0.481 RESID 40 (E): H 9.164 9.164 9.033 0.131 RESID 41 (S): N 108.300 108.300 110.243 -1.943 RESID 41 (S): C 171.700 171.700 173.196 -1.496 RESID 41 (S): CA 56.270 56.270 57.157 -0.887 RESID 41 (S): CB 65.420 65.420 64.790 0.630 RESID 41 (S): H 7.326 7.326 7.489 -0.163 RESID 42 (Q): N 123.900 123.900 120.598 3.302 RESID 42 (Q): C 174.600 174.600 174.757 -0.157 RESID 42 (Q): CA 53.730 53.730 55.729 -1.999 RESID 42 (Q): CB 28.470 28.470 27.934 0.536 RESID 42 (Q): H 7.339 7.339 8.601 -1.262 RESID 43 (P): C 176.300 176.300 176.602 -0.302 RESID 43 (P): CA 64.080 64.080 63.324 0.756 RESID 43 (P): CB 32.510 32.510 32.433 0.077 RESID 44 (Q): N 125.100 125.100 122.429 2.671 RESID 44 (Q): C 175.400 175.400 176.029 -0.629 RESID 44 (Q): CA 55.780 55.780 57.285 -1.505 RESID 44 (Q): CB 32.660 32.660 29.782 2.878 RESID 44 (Q): H 11.160 11.160 8.563 2.597 RESID 45 (R): N 125.700 125.700 117.491 8.209 RESID 45 (R): C 174.600 174.600 174.100 0.500 RESID 45 (R): CA 55.310 55.310 55.238 0.072 RESID 45 (R): CB 33.070 33.070 33.071 -0.000 RESID 45 (R): H 10.010 10.010 7.571 2.439 RESID 47 (V): C 174.700 174.700 174.337 0.363 RESID 47 (V): CA 60.970 60.970 61.242 -0.272 RESID 47 (V): CB 34.140 34.140 34.408 -0.268 RESID 48 (S): N 118.300 118.300 120.284 -1.984 RESID 48 (S): C 175.500 175.500 173.590 1.910 RESID 48 (S): CA 55.700 55.700 57.606 -1.906 RESID 48 (S): CB 64.750 64.750 65.855 -1.105 RESID 48 (S): H 7.852 7.852 8.495 -0.643 RESID 49 (T): N 116.800 116.800 112.614 4.186 RESID 49 (T): C 171.500 171.500 174.422 -2.922 RESID 49 (T): CA 62.400 62.400 61.458 0.942 RESID 49 (T): CB 69.320 69.320 69.714 -0.394 RESID 49 (T): H 8.283 8.283 8.644 -0.361 RESID 50 (S): N 116.200 116.200 116.620 -0.420 RESID 50 (S): C 174.600 174.600 175.191 -0.591 RESID 50 (S): CA 54.640 54.640 56.675 -2.035 RESID 50 (S): CB 64.000 64.000 64.055 -0.055 RESID 50 (S): H 7.627 7.627 7.735 -0.108 RESID 51 (V): N 134.300 134.300 129.041 5.259 RESID 51 (V): C 175.100 175.100 177.835 -2.735 RESID 51 (V): CA 65.620 65.620 66.052 -0.432 RESID 51 (V): CB 31.790 31.790 31.976 -0.186 RESID 51 (V): H 9.218 9.218 8.978 0.240 RESID 52 (T): N 117.000 117.000 116.180 0.820 RESID 52 (T): C 179.700 179.700 176.313 3.387 RESID 52 (T): CA 67.390 67.390 66.913 0.477 RESID 52 (T): CB 69.130 69.130 68.626 0.504 RESID 52 (T): H 7.841 7.841 8.006 -0.165 RESID 53 (L): N 123.400 123.400 121.967 1.433 RESID 53 (L): C 178.700 178.700 178.175 0.525 RESID 53 (L): CA 57.460 57.460 58.213 -0.753 RESID 53 (L): CB 42.610 42.610 41.745 0.865 RESID 53 (L): H 8.092 8.092 8.619 -0.527 RESID 54 (T): N 117.500 117.500 115.733 1.767 RESID 54 (T): C 174.900 174.900 176.644 -1.744 RESID 54 (T): CA 67.070 67.070 67.736 -0.666 RESID 54 (T): H 8.039 8.039 8.136 -0.097 RESID 55 (G): N 105.500 105.500 109.199 -3.699 RESID 55 (G): C 175.600 175.600 175.782 -0.182 RESID 55 (G): CA 47.260 47.260 46.957 0.303 RESID 55 (G): H 6.591 6.591 7.870 -1.279 RESID 56 (S): N 117.000 117.000 117.783 -0.783 RESID 56 (S): C 175.600 175.600 176.757 -1.157 RESID 56 (S): CA 63.400 63.400 61.475 1.925 RESID 56 (S): CB 65.060 65.060 63.088 1.972 RESID 56 (S): H 6.709 6.709 7.964 -1.255 RESID 58 (L): C 181.200 181.200 179.430 1.770 RESID 58 (L): CA 57.480 57.480 57.769 -0.289 RESID 58 (L): CB 40.810 40.810 40.920 -0.110 RESID 59 (A): N 122.100 122.100 122.867 -0.767 RESID 59 (A): C 178.500 178.500 178.816 -0.316 RESID 59 (A): CA 55.540 55.540 54.803 0.737 RESID 59 (A): CB 18.440 18.440 18.757 -0.317 RESID 59 (A): H 7.797 7.797 8.137 -0.340 RESID 60 (I): C 172.700 172.700 174.246 -1.546 RESID 60 (I): CA 60.390 60.390 60.253 0.137 RESID 60 (I): CB 37.930 37.930 37.483 0.447 RESID 61 (D): N 116.200 116.200 118.519 -2.319 RESID 61 (D): C 174.800 174.800 174.547 0.253 RESID 61 (D): CA 55.850 55.850 55.810 0.040 RESID 61 (D): CB 38.930 38.930 38.970 -0.040 RESID 61 (D): H 7.736 7.736 7.741 -0.005 RESID 62 (A): N 118.900 118.900 121.929 -3.029 RESID 62 (A): C 176.800 176.800 174.115 2.685 RESID 62 (A): CA 50.040 50.040 50.884 -0.844 RESID 62 (A): CB 17.940 17.940 19.561 -1.621 RESID 62 (A): H 7.820 7.820 7.739 0.081 RESID 63 (P): C 173.600 173.600 175.713 -2.113 RESID 63 (P): CA 63.250 63.250 62.658 0.592 RESID 63 (P): CB 27.640 27.640 32.333 -4.693 RESID 64 (V): N 123.100 123.100 119.219 3.881 RESID 64 (V): C 174.800 174.800 175.725 -0.925 RESID 64 (V): CA 58.420 58.420 59.872 -1.452 RESID 64 (V): CB 33.300 33.300 34.117 -0.817 RESID 64 (V): H 8.299 8.299 7.863 0.436 RESID 65 (I): N 122.000 122.000 126.280 -4.280 RESID 65 (I): C 177.100 177.100 175.553 1.547 RESID 65 (I): CA 61.010 61.010 64.017 -3.007 RESID 65 (I): CB 39.480 39.480 38.206 1.274 RESID 65 (I): H 8.589 8.589 8.379 0.210 RESID 66 (A): N 120.700 120.700 116.422 4.278 RESID 66 (A): C 175.100 175.100 175.181 -0.081 RESID 66 (A): CA 51.300 51.300 50.662 0.638 RESID 66 (A): CB 22.980 22.980 21.509 1.471 RESID 66 (A): H 7.246 7.246 7.661 -0.415 RESID 67 (S): N 111.700 111.700 116.780 -5.080 RESID 67 (S): C 176.500 176.500 174.256 2.244 RESID 67 (S): CA 55.230 55.230 57.319 -2.090 RESID 67 (S): CB 65.300 65.300 67.712 -2.412 RESID 67 (S): H 8.561 8.561 8.323 0.238 RESID 68 (G): N 112.900 112.900 107.304 5.596 RESID 68 (G): C 171.000 171.000 172.618 -1.618 RESID 68 (G): CA 46.580 46.580 44.524 2.056 RESID 68 (G): H 7.604 7.604 8.651 -1.047 RESID 69 (A): N 122.300 122.300 126.034 -3.734 RESID 69 (A): C 177.900 177.900 175.233 2.667 RESID 69 (A): CA 51.280 51.280 52.458 -1.178 RESID 69 (A): CB 23.440 23.440 21.373 2.067 RESID 69 (A): H 7.402 7.402 8.235 -0.833 RESID 70 (T): N 119.600 119.600 114.172 5.428 RESID 70 (T): C 171.400 171.400 174.109 -2.709 RESID 70 (T): CA 58.150 58.150 61.290 -3.140 RESID 70 (T): CB 70.880 70.880 69.864 1.016 RESID 70 (T): H 9.171 9.171 8.170 1.001 RESID 71 (T): N 116.500 116.500 121.593 -5.093 RESID 71 (T): C 172.500 172.500 172.905 -0.405 RESID 71 (T): CA 61.680 61.680 61.630 0.050 RESID 71 (T): CB 70.490 70.490 68.915 1.575 RESID 71 (T): H 7.663 7.663 8.473 -0.810 RESID 72 (P): C 177.100 177.100 176.130 0.970 RESID 72 (P): CA 63.390 63.390 63.617 -0.227 RESID 72 (P): CB 32.940 32.940 32.210 0.730 RESID 73 (N): N 115.200 115.200 119.767 -4.567 RESID 73 (N): C 174.600 174.600 176.218 -1.618 RESID 73 (N): CA 54.570 54.570 53.842 0.729 RESID 73 (N): CB 37.020 37.020 38.476 -1.456 RESID 73 (N): H 7.990 7.990 8.691 -0.701 RESID 74 (N): C 175.800 175.800 176.982 -1.182 RESID 74 (N): CA 60.660 60.660 55.672 4.988 RESID 74 (N): CB 38.070 38.070 37.734 0.336 RESID 75 (R): N 114.600 114.600 120.941 -6.341 RESID 75 (R): C 177.400 177.400 177.552 -0.152 RESID 75 (R): CA 59.940 59.940 58.864 1.076 RESID 75 (R): CB 31.110 31.110 30.050 1.060 RESID 75 (R): H 8.049 8.049 8.327 -0.278 RESID 76 (V): N 107.100 107.100 117.337 -10.237 RESID 76 (V): C 176.000 176.000 175.947 0.053 RESID 76 (V): CA 61.110 61.110 64.045 -2.935 RESID 76 (V): CB 33.590 33.590 31.549 2.041 RESID 76 (V): H 7.356 7.356 8.183 -0.827 RESID 77 (A): N 126.900 126.900 121.052 5.848 RESID 77 (A): C 176.500 176.500 177.563 -1.063 RESID 77 (A): CA 51.390 51.390 52.402 -1.012 RESID 77 (A): CB 24.260 24.260 19.137 5.123 RESID 77 (A): H 7.873 7.873 7.155 0.718 RESID 78 (D): N 118.700 118.700 116.915 1.785 RESID 78 (D): C 178.100 178.100 175.891 2.209 RESID 78 (D): CA 51.970 51.970 52.917 -0.947 RESID 78 (D): CB 41.360 41.360 41.001 0.359 RESID 78 (D): H 8.607 8.607 8.178 0.429 RESID 79 (D): N 116.600 116.600 115.776 0.824 RESID 79 (D): C 176.400 176.400 176.123 0.277 RESID 79 (D): CA 56.030 56.030 54.950 1.080 RESID 79 (D): CB 40.100 40.100 39.237 0.863 RESID 79 (D): H 8.258 8.258 8.426 -0.168 RESID 80 (Q): N 117.200 117.200 121.583 -4.383 RESID 80 (Q): C 175.700 175.700 176.884 -1.184 RESID 80 (Q): CA 54.970 54.970 56.506 -1.536 RESID 80 (Q): CB 30.840 30.840 28.429 2.411 RESID 80 (Q): H 8.160 8.160 8.340 -0.180 RESID 81 (G): N 105.300 105.300 105.266 0.034 RESID 81 (G): C 174.200 174.200 173.347 0.853 RESID 81 (G): CA 45.740 45.740 44.790 0.950 RESID 81 (G): H 7.419 7.419 8.064 -0.645 RESID 82 (F): N 121.700 121.700 121.086 0.614 RESID 82 (F): C 175.300 175.300 175.738 -0.438 RESID 82 (F): CA 52.530 52.530 56.783 -4.253 RESID 82 (F): CB 37.430 37.430 40.042 -2.612 RESID 82 (F): H 8.154 8.154 7.848 0.306 RESID 83 (L): C 178.400 178.400 177.442 0.958 RESID 83 (L): CA 55.550 55.550 55.192 0.358 RESID 83 (L): CB 38.480 38.480 41.958 -3.478 RESID 84 (R): N 119.000 119.000 118.689 0.311 RESID 84 (R): C 178.300 178.300 177.543 0.757 RESID 84 (R): CA 60.690 60.690 57.235 3.455 RESID 84 (R): CB 31.530 31.530 29.876 1.654 RESID 84 (R): H 7.746 7.746 8.434 -0.688 RESID 85 (Q): N 116.400 116.400 118.980 -2.580 RESID 85 (Q): C 174.700 174.700 177.388 -2.688 RESID 85 (Q): CA 58.200 58.200 58.004 0.196 RESID 85 (Q): CB 26.140 26.140 29.293 -3.153 RESID 85 (Q): H 9.838 9.838 7.967 1.871 RESID 86 (W): N 115.600 115.600 122.108 -6.508 RESID 86 (W): C 175.900 175.900 177.681 -1.781 RESID 86 (W): CA 55.320 55.320 60.379 -5.059 RESID 86 (W): CB 27.470 27.470 29.539 -2.069 RESID 86 (W): H 6.600 6.600 8.540 -1.940 RESID 87 (S): N 118.500 118.500 114.771 3.729 RESID 87 (S): C 177.300 177.300 175.835 1.465 RESID 87 (S): CA 62.340 62.340 61.844 0.496 RESID 87 (S): H 7.067 7.067 8.333 -1.266 RESID 88 (K): N 118.300 118.300 122.210 -3.910 RESID 88 (K): C 179.000 179.000 178.814 0.186 RESID 88 (K): CA 59.970 59.970 59.502 0.468 RESID 88 (K): CB 32.380 32.380 32.470 -0.090 RESID 88 (K): H 8.615 8.615 7.624 0.991 RESID 89 (V): N 120.600 120.600 114.280 6.320 RESID 89 (V): C 178.100 178.100 177.313 0.787 RESID 89 (V): CA 65.530 65.530 65.445 0.085 RESID 89 (V): CB 32.180 32.180 31.677 0.503 RESID 89 (V): H 7.089 7.089 7.764 -0.675 RESID 90 (A): N 120.700 120.700 121.129 -0.429 RESID 90 (A): C 180.000 180.000 178.917 1.083 RESID 90 (A): CA 55.490 55.490 54.121 1.369 RESID 90 (A): CB 19.130 19.130 17.683 1.447 RESID 90 (A): H 7.979 7.979 7.299 0.680 RESID 91 (K): N 117.600 117.600 118.023 -0.423 RESID 91 (K): C 180.900 180.900 177.870 3.030 RESID 91 (K): CA 59.830 59.830 58.837 0.994 RESID 91 (K): CB 32.700 32.700 32.695 0.005 RESID 91 (K): H 7.844 7.844 8.097 -0.253 RESID 92 (E): N 122.300 122.300 117.196 5.104 RESID 92 (E): C 178.600 178.600 177.094 1.506 RESID 92 (E): CA 59.590 59.590 57.283 2.307 RESID 92 (E): CB 29.740 29.740 30.412 -0.672 RESID 92 (E): H 8.178 8.178 7.701 0.477 RESID 93 (R): N 115.300 115.300 118.458 -3.158 RESID 93 (R): C 175.000 175.000 174.674 0.326 RESID 93 (R): CA 56.320 56.320 55.528 0.792 RESID 93 (R): CB 29.390 29.390 30.915 -1.525 RESID 93 (R): H 7.776 7.776 8.053 -0.277 RESID 94 (K): N 116.800 116.800 115.042 1.758 RESID 94 (K): C 176.400 176.400 175.737 0.663 RESID 94 (K): CA 56.950 56.950 57.605 -0.655 RESID 94 (K): CB 28.870 28.870 30.306 -1.436 RESID 94 (K): H 7.697 7.697 8.395 -0.698 RESID 95 (L): N 120.600 120.600 121.637 -1.037 RESID 95 (L): C 177.200 177.200 176.904 0.296 RESID 95 (L): CA 56.710 56.710 56.002 0.708 RESID 95 (L): CB 43.480 43.480 42.438 1.042 RESID 95 (L): H 7.708 7.708 7.632 0.076 RESID 96 (Q): N 124.900 124.900 124.452 0.448 RESID 96 (Q): C 175.000 175.000 175.973 -0.973 RESID 96 (Q): CA 55.570 55.570 54.950 0.620 RESID 96 (Q): CB 30.080 30.080 29.752 0.328 RESID 96 (Q): H 7.526 7.526 8.403 -0.877 RESID 97 (R): N 126.000 126.000 119.526 6.474 RESID 97 (R): C 176.800 176.800 176.217 0.583 RESID 97 (R): CA 55.610 55.610 56.663 -1.054 RESID 97 (R): CB 31.840 31.840 30.242 1.598 RESID 97 (R): H 9.039 9.039 8.540 0.499 RESID 98 (L): N 126.500 126.500 122.949 3.551 RESID 98 (L): C 175.400 175.400 175.789 -0.389 RESID 98 (L): CA 56.610 56.610 54.120 2.490 RESID 98 (L): CB 47.140 47.140 43.867 3.273 RESID 98 (L): H 8.247 8.247 8.703 -0.456 RESID 99 (Y): N 110.000 110.000 112.044 -2.044 RESID 99 (Y): C 173.200 173.200 174.587 -1.387 RESID 99 (Y): CA 55.320 55.320 56.162 -0.842 RESID 99 (Y): CB 38.350 38.350 39.361 -1.011 RESID 99 (Y): H 6.465 6.465 7.825 -1.360 RESID 100 (I): N 120.000 120.000 126.200 -6.200 RESID 100 (I): C 176.800 176.800 177.147 -0.347 RESID 100 (I): CA 61.290 61.290 63.099 -1.809 RESID 100 (I): CB 39.980 39.980 36.413 3.567 RESID 100 (I): H 8.725 8.725 8.633 0.092 RESID 101 (G): N 114.800 114.800 113.913 0.887 RESID 101 (G): C 173.400 173.400 174.096 -0.696 RESID 101 (G): CA 47.030 47.030 44.824 2.206 RESID 101 (G): H 8.224 8.224 8.487 -0.263 RESID 102 (E): N 129.600 129.600 118.691 10.909 RESID 102 (E): C 173.700 173.700 174.483 -0.783 RESID 102 (E): CA 54.480 54.480 54.013 0.467 RESID 102 (E): CB 29.790 29.790 27.765 2.025 RESID 102 (E): H 8.294 8.294 8.007 0.287 RESID 103 (P): C 175.400 175.400 176.235 -0.835 RESID 103 (P): CA 62.040 62.040 63.419 -1.379 RESID 103 (P): CB 32.570 32.570 32.661 -0.091 RESID 104 (S): N 111.900 111.900 117.141 -5.241 RESID 104 (S): C 174.800 174.800 174.634 0.166 RESID 104 (S): CA 55.340 55.340 58.512 -3.172 RESID 104 (S): CB 64.330 64.330 64.414 -0.084 RESID 104 (S): H 5.412 5.412 7.970 -2.558 RESID 105 (A): N 130.200 130.200 129.932 0.268 RESID 105 (A): C 179.400 179.400 179.048 0.352 RESID 105 (A): CA 55.070 55.070 54.317 0.753 RESID 105 (A): CB 18.210 18.210 19.109 -0.899 RESID 105 (A): H 9.211 9.211 8.881 0.330 RESID 106 (E): N 119.800 119.800 119.444 0.356 RESID 106 (E): C 179.300 179.300 178.859 0.441 RESID 106 (E): CA 60.270 60.270 59.026 1.244 RESID 106 (E): CB 28.990 28.990 29.465 -0.475 RESID 106 (E): H 8.731 8.731 8.586 0.145 RESID 107 (A): N 121.600 121.600 122.375 -0.775 RESID 107 (A): C 180.100 180.100 179.784 0.316 RESID 107 (A): CA 54.650 54.650 55.087 -0.437 RESID 107 (A): CB 19.220 19.220 18.370 0.850 RESID 107 (A): H 7.682 7.682 7.857 -0.175 RESID 108 (V): N 116.600 116.600 118.283 -1.683 RESID 108 (V): C 177.700 177.700 178.634 -0.934 RESID 108 (V): CA 66.920 66.920 65.767 1.153 RESID 108 (V): CB 31.430 31.430 31.097 0.333 RESID 108 (V): H 7.015 7.015 7.540 -0.525 RESID 109 (A): N 121.400 121.400 123.375 -1.975 RESID 109 (A): C 181.100 181.100 179.358 1.742 RESID 109 (A): CA 55.540 55.540 55.010 0.530 RESID 109 (A): CB 17.900 17.900 18.119 -0.219 RESID 109 (A): H 8.262 8.262 8.188 0.074 RESID 110 (A): N 118.800 118.800 119.536 -0.736 RESID 110 (A): C 178.900 178.900 178.647 0.253 RESID 110 (A): CA 54.300 54.300 54.552 -0.252 RESID 110 (A): CB 18.460 18.460 18.492 -0.033 RESID 110 (A): H 7.607 7.607 7.916 -0.309 RESID 111 (Q): N 113.500 113.500 114.520 -1.020 RESID 111 (Q): C 174.900 174.900 175.936 -1.036 RESID 111 (Q): CA 55.160 55.160 54.237 0.923 RESID 111 (Q): CB 28.450 28.450 28.666 -0.215 RESID 111 (Q): H 7.148 7.148 7.447 -0.299 RESID 112 (M): N 114.700 114.700 120.889 -6.189 RESID 112 (M): C 173.300 173.300 173.261 0.039 RESID 112 (M): CA 55.900 55.900 55.519 0.381 RESID 112 (M): CB 30.300 30.300 31.752 -1.452 RESID 112 (M): H 7.882 7.882 7.921 -0.039 RESID 113 (P): C 176.700 176.700 176.328 0.372 RESID 113 (P): CA 62.820 62.820 62.583 0.237 RESID 113 (P): CB 33.340 33.340 33.012 0.328 RESID 114 (D): N 115.800 115.800 117.902 -2.102 RESID 114 (D): C 175.900 175.900 175.929 -0.029 RESID 114 (D): CA 53.150 53.150 55.255 -2.105 RESID 114 (D): CB 40.990 40.990 42.931 -1.941 RESID 114 (D): H 8.850 8.850 8.209 0.641 RESID 115 (L): C 174.900 174.900 174.304 0.596 RESID 115 (L): CA 52.800 52.800 54.119 -1.319 RESID 116 (I): N 123.500 123.500 126.240 -2.740 RESID 116 (I): CA 60.270 60.270 60.106 0.164 RESID 116 (I): H 9.340 9.340 8.105 1.235 RESID 118 (I): C 174.400 174.400 175.449 -1.049 RESID 118 (I): CA 60.250 60.250 59.770 0.480 RESID 118 (I): CB 42.610 42.610 41.399 1.211 RESID 119 (S): N 121.600 121.600 121.596 0.004 RESID 119 (S): C 175.700 175.700 175.094 0.606 RESID 119 (S): CA 57.150 57.150 57.762 -0.612 RESID 119 (S): CB 65.280 65.280 64.575 0.705 RESID 119 (S): H 9.575 9.575 8.572 1.003 RESID 120 (A): N 126.000 126.000 124.679 1.321 RESID 120 (A): C 176.900 176.900 177.425 -0.525 RESID 120 (A): CA 54.300 54.300 54.352 -0.052 RESID 120 (A): CB 20.530 20.530 19.017 1.513 RESID 120 (A): H 8.143 8.143 8.691 -0.548 RESID 121 (T): N 106.400 106.400 110.094 -3.694 RESID 121 (T): C 173.000 173.000 173.379 -0.379 RESID 121 (T): CA 59.450 59.450 61.900 -2.450 RESID 121 (T): CB 72.310 72.310 70.612 1.698 RESID 121 (T): H 7.617 7.617 7.982 -0.365 RESID 122 (G): N 104.200 104.200 111.352 -7.152 RESID 122 (G): C 177.200 177.200 174.178 3.022 RESID 122 (G): CA 44.430 44.430 45.207 -0.777 RESID 122 (G): H 7.998 7.998 7.882 0.116 RESID 123 (G): C 174.100 174.100 174.323 -0.223 RESID 123 (G): CA 46.710 46.710 45.680 1.030 RESID 124 (D): N 116.900 116.900 119.165 -2.265 RESID 124 (D): C 176.900 176.900 175.724 1.176 RESID 124 (D): CA 52.320 52.320 52.912 -0.592 RESID 124 (D): CB 40.690 40.690 40.634 0.056 RESID 124 (D): H 8.617 8.617 7.729 0.888 RESID 125 (S): N 115.100 115.100 119.071 -3.971 RESID 125 (S): C 176.900 176.900 175.164 1.736 RESID 125 (S): CA 58.750 58.750 58.645 0.105 RESID 125 (S): CB 64.190 64.190 64.080 0.110 RESID 125 (S): H 7.322 7.322 8.435 -1.113 RESID 126 (A): N 134.900 134.900 130.080 4.820 RESID 126 (A): C 176.700 176.700 178.655 -1.955 RESID 126 (A): CA 51.150 51.150 53.497 -2.347 RESID 126 (A): CB 16.850 16.850 19.090 -2.240 RESID 126 (A): H 8.837 8.837 8.627 0.210 RESID 127 (L): N 121.000 121.000 121.055 -0.055 RESID 127 (L): C 178.900 178.900 178.338 0.562 RESID 127 (L): CA 58.730 58.730 57.273 1.457 RESID 127 (L): CB 42.840 42.840 41.619 1.221 RESID 127 (L): H 7.353 7.353 8.161 -0.808 RESID 128 (A): N 121.600 121.600 118.093 3.507 RESID 128 (A): C 178.900 178.900 178.099 0.801 RESID 128 (A): CA 55.010 55.010 54.149 0.861 RESID 128 (A): CB 18.200 18.200 18.700 -0.500 RESID 128 (A): H 8.918 8.918 7.624 1.294 RESID 129 (L): N 116.800 116.800 116.134 0.666 RESID 129 (L): C 177.000 177.000 177.857 -0.857 RESID 129 (L): CA 53.930 53.930 55.222 -1.292 RESID 129 (L): CB 42.710 42.710 43.123 -0.413 RESID 129 (L): H 7.776 7.776 7.424 0.352 RESID 130 (Y): N 122.000 122.000 122.861 -0.861 RESID 130 (Y): C 177.100 177.100 176.734 0.366 RESID 130 (Y): CA 64.420 64.420 62.947 1.473 RESID 130 (Y): CB 39.470 39.470 38.442 1.028 RESID 130 (Y): H 7.891 7.891 8.992 -1.101 RESID 131 (D): N 119.000 119.000 117.804 1.196 RESID 131 (D): C 178.300 178.300 178.441 -0.141 RESID 131 (D): CA 58.040 58.040 57.452 0.588 RESID 131 (D): CB 39.660 39.660 39.363 0.297 RESID 131 (D): H 9.014 9.014 8.111 0.903 RESID 132 (Q): N 118.900 118.900 119.976 -1.076 RESID 132 (Q): C 179.100 179.100 178.896 0.204 RESID 132 (Q): CA 58.930 58.930 58.608 0.321 RESID 132 (Q): CB 29.320 29.320 28.762 0.557 RESID 132 (Q): H 7.814 7.814 7.995 -0.181 RESID 133 (L): N 119.700 119.700 120.198 -0.498 RESID 133 (L): C 177.900 177.900 178.597 -0.697 RESID 133 (L): CA 57.910 57.910 57.687 0.223 RESID 133 (L): CB 40.980 40.980 41.790 -0.810 RESID 133 (L): H 8.450 8.450 8.814 -0.364 RESID 134 (S): N 111.800 111.800 114.742 -2.942 RESID 134 (S): C 175.500 175.500 176.091 -0.591 RESID 134 (S): CA 61.160 61.160 61.355 -0.195 RESID 134 (S): CB 63.450 63.450 62.730 0.720 RESID 134 (S): H 8.128 8.128 8.482 -0.354 RESID 135 (T): N 111.100 111.100 116.022 -4.922 RESID 135 (T): C 175.300 175.300 176.616 -1.316 RESID 135 (T): CA 63.230 63.230 65.308 -2.078 RESID 135 (T): CB 69.670 69.670 69.015 0.655 RESID 135 (T): H 6.953 6.953 7.560 -0.607 RESID 136 (I): N 124.400 124.400 120.496 3.904 RESID 136 (I): C 175.800 175.800 175.592 0.208 RESID 136 (I): CA 63.940 63.940 64.031 -0.091 RESID 136 (I): CB 38.870 38.870 38.580 0.290 RESID 136 (I): H 7.694 7.694 7.363 0.331 RESID 137 (A): N 120.500 120.500 118.656 1.844 RESID 137 (A): C 172.300 172.300 173.984 -1.684 RESID 137 (A): CA 50.470 50.470 50.580 -0.110 RESID 137 (A): CB 19.320 19.320 19.475 -0.155 RESID 137 (A): H 7.540 7.540 7.976 -0.436 RESID 138 (P): C 174.700 174.700 176.154 -1.454 RESID 138 (P): CA 64.700 64.700 63.643 1.057 RESID 138 (P): CB 31.610 31.610 31.489 0.121 RESID 139 (T): N 122.000 122.000 119.777 2.223 RESID 139 (T): C 173.900 173.900 173.900 0.000 RESID 139 (T): CA 61.630 61.630 63.129 -1.499 RESID 139 (T): CB 71.540 71.540 69.703 1.837 RESID 139 (T): H 7.990 7.990 8.146 -0.156 RESID 140 (L): C 174.900 174.900 174.286 0.614 RESID 140 (L): CA 52.740 52.740 53.487 -0.747 RESID 140 (L): CB 46.680 46.680 46.192 0.488 RESID 141 (I): N 123.500 123.500 125.292 -1.792 RESID 141 (I): C 175.700 175.700 175.261 0.439 RESID 141 (I): CA 60.250 60.250 61.016 -0.766 RESID 141 (I): CB 39.590 39.590 38.711 0.879 RESID 141 (I): H 9.345 9.345 8.014 1.331 RESID 142 (I): N 129.000 129.000 128.252 0.748 RESID 142 (I): C 174.400 174.400 174.152 0.248 RESID 142 (I): CA 57.930 57.930 59.878 -1.948 RESID 142 (I): CB 39.690 39.690 42.262 -2.572 RESID 142 (I): H 9.030 9.030 9.151 -0.121 RESID 143 (N): N 129.100 129.100 124.322 4.778 RESID 143 (N): C 174.700 174.700 174.211 0.489 RESID 143 (N): CA 51.390 51.390 53.360 -1.970 RESID 143 (N): CB 39.720 39.720 39.591 0.129 RESID 143 (N): H 9.388 9.388 8.673 0.715 RESID 144 (Y): N 119.900 119.900 126.345 -6.445 RESID 144 (Y): C 176.500 176.500 174.850 1.650 RESID 144 (Y): CA 55.820 55.820 59.667 -3.847 RESID 144 (Y): CB 39.120 39.120 39.158 -0.038 RESID 144 (Y): H 8.491 8.491 8.516 -0.025 RESID 145 (D): N 125.200 125.200 124.362 0.838 RESID 145 (D): C 176.800 176.800 175.016 1.784 RESID 145 (D): CA 55.220 55.220 55.456 -0.236 RESID 145 (D): CB 43.120 43.120 39.760 3.360 RESID 145 (D): H 8.800 8.800 8.345 0.455 RESID 146 (D): N 119.100 119.100 115.040 4.060 RESID 146 (D): C 175.200 175.200 175.269 -0.069 RESID 146 (D): CA 53.230 53.230 53.614 -0.384 RESID 146 (D): CB 40.760 40.760 42.462 -1.702 RESID 146 (D): H 7.571 7.571 8.594 -1.023 RESID 147 (K): N 114.100 114.100 119.849 -5.749 RESID 147 (K): C 175.000 175.000 175.272 -0.272 RESID 147 (K): CA 54.070 54.070 55.621 -1.551 RESID 147 (K): CB 33.340 33.340 35.122 -1.782 RESID 147 (K): H 7.018 7.018 7.567 -0.549 RESID 148 (S): N 118.300 118.300 118.780 -0.480 RESID 148 (S): C 175.700 175.700 176.076 -0.376 RESID 148 (S): CA 57.120 57.120 57.169 -0.049 RESID 148 (S): CB 64.970 64.970 64.264 0.706 RESID 148 (S): H 8.709 8.709 8.494 0.215 RESID 149 (W): N 121.700 121.700 119.901 1.799 RESID 149 (W): C 179.300 179.300 177.228 2.072 RESID 149 (W): CA 59.890 59.890 58.574 1.316 RESID 149 (W): CB 27.660 27.660 28.392 -0.732 RESID 149 (W): H 8.779 8.779 8.903 -0.124 RESID 150 (Q): N 124.600 124.600 121.397 3.203 RESID 150 (Q): C 178.100 178.100 177.803 0.297 RESID 150 (Q): CA 61.660 61.660 58.282 3.378 RESID 150 (Q): CB 26.550 26.550 27.745 -1.196 RESID 150 (Q): H 8.369 8.369 6.748 1.621 RESID 151 (S): N 117.500 117.500 116.365 1.135 RESID 151 (S): C 177.500 177.500 176.909 0.591 RESID 151 (S): CA 61.760 61.760 61.226 0.534 RESID 151 (S): CB 63.360 63.360 62.732 0.628 RESID 151 (S): H 7.769 7.769 7.737 0.032 RESID 152 (L): N 125.200 125.200 122.727 2.473 RESID 152 (L): C 178.700 178.700 178.155 0.545 RESID 152 (L): CA 58.320 58.320 57.926 0.394 RESID 152 (L): CB 41.980 41.980 41.697 0.283 RESID 152 (L): H 8.460 8.460 8.387 0.073 RESID 153 (L): N 119.200 119.200 118.633 0.567 RESID 153 (L): C 179.700 179.700 178.654 1.046 RESID 153 (L): CA 58.960 58.960 57.528 1.433 RESID 153 (L): CB 41.270 41.270 41.371 -0.101 RESID 153 (L): H 8.562 8.562 7.629 0.933 RESID 154 (T): N 116.300 116.300 112.784 3.516 RESID 154 (T): C 177.200 177.200 176.895 0.305 RESID 154 (T): CA 67.290 67.290 65.973 1.317 RESID 154 (T): CB 68.640 68.640 68.103 0.537 RESID 154 (T): H 8.004 8.004 7.852 0.152 RESID 155 (Q): N 124.500 124.500 120.978 3.522 RESID 155 (Q): C 179.200 179.200 178.003 1.197 RESID 155 (Q): CA 59.710 59.710 58.329 1.381 RESID 155 (Q): CB 28.620 28.620 28.352 0.268 RESID 155 (Q): H 8.230 8.230 7.912 0.318 RESID 156 (L): C 180.900 180.900 179.264 1.636 RESID 156 (L): CA 57.540 57.540 56.918 0.622 RESID 156 (L): CB 41.710 41.710 41.836 -0.126 RESID 157 (G): N 112.800 112.800 107.020 5.780 RESID 157 (G): C 174.500 174.500 175.089 -0.589 RESID 157 (G): CA 48.300 48.300 46.514 1.786 RESID 157 (G): H 9.216 9.216 7.998 1.218 RESID 158 (E): N 123.500 123.500 118.686 4.814 RESID 158 (E): C 177.800 177.800 177.143 0.657 RESID 158 (E): CA 59.120 59.120 57.865 1.255 RESID 158 (E): CB 29.700 29.700 29.379 0.321 RESID 158 (E): H 7.480 7.480 7.459 0.021 RESID 160 (T): C 178.300 178.300 176.003 2.297 RESID 160 (T): CA 61.930 61.930 63.121 -1.191 RESID 160 (T): CB 71.830 71.830 69.158 2.672 RESID 161 (G): N 113.600 113.600 113.889 -0.289 RESID 161 (G): C 174.600 174.600 174.148 0.452 RESID 161 (G): CA 48.130 48.130 46.878 1.252 RESID 161 (G): H 8.114 8.114 8.991 -0.877 RESID 162 (H): N 121.000 121.000 116.094 4.906 RESID 162 (H): C 174.000 174.000 176.188 -2.188 RESID 162 (H): CA 55.370 55.370 55.896 -0.526 RESID 162 (H): CB 28.280 28.280 31.283 -3.003 RESID 162 (H): H 8.506 8.506 7.838 0.668 RESID 163 (E): N 123.900 123.900 122.126 1.774 RESID 163 (E): C 180.800 180.800 178.470 2.330 RESID 163 (E): CA 61.160 61.160 59.734 1.426 RESID 163 (E): CB 28.720 28.720 29.157 -0.437 RESID 163 (E): H 10.300 10.300 8.747 1.553 RESID 164 (K): N 120.600 120.600 120.364 0.236 RESID 164 (K): C 178.700 178.700 178.793 -0.093 RESID 164 (K): CA 59.590 59.590 60.054 -0.464 RESID 164 (K): CB 32.280 32.280 31.972 0.308 RESID 164 (K): H 8.789 8.789 8.393 0.396 RESID 165 (Q): N 119.500 119.500 117.297 2.203 RESID 165 (Q): C 178.800 178.800 178.133 0.667 RESID 165 (Q): CA 60.870 60.870 58.838 2.032 RESID 165 (Q): CB 28.120 28.120 28.389 -0.269 RESID 165 (Q): H 8.058 8.058 8.540 -0.482 RESID 166 (A): N 121.100 121.100 122.448 -1.348 RESID 166 (A): C 178.000 178.000 179.424 -1.424 RESID 166 (A): CA 56.280 56.280 54.964 1.316 RESID 166 (A): CB 18.300 18.300 18.075 0.225 RESID 166 (A): H 7.873 7.873 8.046 -0.173 RESID 167 (A): N 117.900 117.900 120.940 -3.040 RESID 167 (A): C 181.500 181.500 179.613 1.887 RESID 167 (A): CA 55.100 55.100 55.266 -0.166 RESID 167 (A): CB 17.860 17.860 18.167 -0.307 RESID 167 (A): H 7.642 7.642 8.762 -1.120 RESID 168 (E): N 120.100 120.100 118.558 1.542 RESID 168 (E): C 179.600 179.600 179.132 0.468 RESID 168 (E): CA 59.610 59.610 59.612 -0.002 RESID 168 (E): CB 29.790 29.790 29.338 0.452 RESID 168 (E): H 8.230 8.230 7.904 0.326 RESID 170 (I): C 177.700 177.700 177.695 0.005 RESID 170 (I): CA 66.880 66.880 65.305 1.575 RESID 170 (I): CB 39.310 39.310 37.951 1.359 RESID 171 (A): N 120.700 120.700 123.180 -2.480 RESID 171 (A): C 181.200 181.200 179.840 1.360 RESID 171 (A): CA 55.290 55.290 55.639 -0.349 RESID 171 (A): CB 18.260 18.260 18.112 0.148 RESID 171 (A): H 8.000 8.000 8.780 -0.780 RESID 172 (Q): N 120.600 120.600 118.021 2.579 RESID 172 (Q): C 179.200 179.200 178.581 0.619 RESID 172 (Q): CA 59.210 59.210 58.496 0.714 RESID 172 (Q): CB 28.340 28.340 28.599 -0.259 RESID 172 (Q): H 8.585 8.585 7.944 0.641 RESID 173 (F): N 122.500 122.500 122.645 -0.145 RESID 173 (F): C 176.400 176.400 177.409 -1.009 RESID 173 (F): CA 62.710 62.710 61.114 1.596 RESID 173 (F): CB 39.490 39.490 39.126 0.364 RESID 173 (F): H 8.457 8.457 8.773 -0.316 RESID 174 (D): N 121.000 121.000 120.095 0.905 RESID 174 (D): C 180.300 180.300 178.882 1.418 RESID 174 (D): CA 58.040 58.040 57.498 0.542 RESID 174 (D): CB 40.160 40.160 40.252 -0.092 RESID 174 (D): H 8.771 8.771 9.038 -0.267 RESID 175 (K): N 121.300 121.300 120.201 1.099 RESID 175 (K): C 179.800 179.800 178.634 1.166 RESID 175 (K): CA 59.630 59.630 59.631 -0.001 RESID 175 (K): CB 32.710 32.710 32.397 0.313 RESID 175 (K): H 8.125 8.125 8.180 -0.055 RESID 176 (Q): N 121.600 121.600 119.506 2.094 RESID 176 (Q): C 179.100 179.100 178.331 0.769 RESID 176 (Q): CA 58.460 58.460 58.937 -0.477 RESID 176 (Q): CB 27.990 27.990 28.523 -0.533 RESID 176 (Q): H 8.164 8.164 7.823 0.341 RESID 177 (L): N 125.600 125.600 119.589 6.011 RESID 177 (L): C 178.400 178.400 178.670 -0.270 RESID 177 (L): CA 59.890 59.890 57.237 2.653 RESID 177 (L): CB 41.200 41.200 41.356 -0.156 RESID 177 (L): H 8.944 8.944 7.734 1.210 RESID 178 (A): N 121.500 121.500 122.554 -1.054 RESID 178 (A): C 180.600 180.600 179.231 1.369 RESID 178 (A): CA 55.390 55.390 55.192 0.198 RESID 178 (A): CB 17.970 17.970 17.881 0.089 RESID 178 (A): H 7.690 7.690 8.212 -0.522 RESID 179 (A): N 120.200 120.200 120.973 -0.773 RESID 179 (A): C 180.600 180.600 179.889 0.711 RESID 179 (A): CA 54.860 54.860 54.521 0.339 RESID 179 (A): CB 18.190 18.190 18.597 -0.407 RESID 179 (A): H 7.706 7.706 7.655 0.051 RESID 180 (A): N 121.800 121.800 121.841 -0.041 RESID 180 (A): C 179.200 179.200 179.104 0.096 RESID 180 (A): CA 55.490 55.490 54.742 0.748 RESID 180 (A): CB 17.920 17.920 18.183 -0.263 RESID 180 (A): H 8.171 8.171 7.995 0.176 RESID 181 (K): N 118.100 118.100 117.921 0.179 RESID 181 (K): C 178.000 178.000 178.092 -0.092 RESID 181 (K): CA 59.830 59.830 59.199 0.631 RESID 181 (K): CB 33.340 33.340 32.633 0.707 RESID 181 (K): H 8.342 8.342 8.312 0.030 RESID 182 (E): N 114.400 114.400 116.561 -2.161 RESID 182 (E): C 177.300 177.300 177.441 -0.141 RESID 182 (E): CA 57.870 57.870 57.120 0.750 RESID 182 (E): CB 30.320 30.320 29.250 1.070 RESID 182 (E): H 7.153 7.153 7.745 -0.592 RESID 183 (Q): N 116.700 116.700 117.390 -0.690 RESID 183 (Q): C 177.200 177.200 176.178 1.022 RESID 183 (Q): CA 57.060 57.060 56.831 0.229 RESID 183 (Q): CB 31.550 31.550 31.126 0.424 RESID 183 (Q): H 7.458 7.458 7.640 -0.182 RESID 184 (I): N 117.800 117.800 115.853 1.947 RESID 184 (I): C 175.200 175.200 174.244 0.956 RESID 184 (I): CA 63.000 63.000 59.743 3.257 RESID 184 (I): CB 40.300 40.300 39.964 0.336 RESID 184 (I): H 7.723 7.723 7.433 0.290 RESID 185 (K): N 127.700 127.700 122.962 4.738 RESID 185 (K): C 175.600 175.600 175.624 -0.024 RESID 185 (K): CA 54.550 54.550 55.124 -0.574 RESID 185 (K): CB 31.600 31.600 34.497 -2.897 RESID 185 (K): H 8.743 8.743 7.914 0.829 RESID 186 (L): N 124.700 124.700 125.767 -1.067 RESID 186 (L): C 175.700 175.700 175.915 -0.215 RESID 186 (L): CA 54.240 54.240 51.879 2.361 RESID 186 (L): CB 41.050 41.050 40.671 0.379 RESID 186 (L): H 8.051 8.051 8.476 -0.425 RESID 188 (P): C 174.800 174.800 176.258 -1.458 RESID 188 (P): CA 65.060 65.060 63.584 1.476 RESID 188 (P): CB 32.670 32.670 31.655 1.014 RESID 189 (Q): N 121.300 121.300 121.098 0.202 RESID 189 (Q): C 174.800 174.800 172.922 1.878 RESID 189 (Q): CA 52.330 52.330 54.725 -2.395 RESID 189 (Q): CB 31.350 31.350 30.392 0.958 RESID 189 (Q): H 8.061 8.061 8.226 -0.165 RESID 190 (P): C 175.500 175.500 175.547 -0.047 RESID 190 (P): CA 62.820 62.820 62.462 0.358 RESID 190 (P): CB 35.450 35.450 32.819 2.631 RESID 191 (V): N 112.600 112.600 121.614 -9.014 RESID 191 (V): C 174.300 174.300 173.968 0.332 RESID 191 (V): CA 59.740 59.740 59.517 0.223 RESID 191 (V): CB 35.030 35.030 34.695 0.335 RESID 191 (V): H 9.214 9.214 8.529 0.685 RESID 192 (T): N 120.700 120.700 113.312 7.388 RESID 192 (T): C 172.300 172.300 172.089 0.211 RESID 192 (T): CA 63.030 63.030 59.538 3.492 RESID 192 (T): CB 71.550 71.550 71.247 0.303 RESID 192 (T): H 8.462 8.462 8.318 0.144 RESID 193 (A): N 132.900 132.900 122.997 9.903 RESID 193 (A): C 175.400 175.400 175.401 -0.001 RESID 193 (A): CA 50.570 50.570 51.140 -0.570 RESID 193 (A): CB 21.140 21.140 21.440 -0.300 RESID 193 (A): H 10.170 10.170 8.563 1.607 RESID 194 (I): N 115.400 115.400 117.484 -2.084 RESID 194 (I): C 176.600 176.600 173.694 2.906 RESID 194 (I): CA 59.540 59.540 60.010 -0.470 RESID 194 (I): CB 43.930 43.930 42.116 1.814 RESID 194 (I): H 9.269 9.269 8.527 0.742 RESID 195 (V): N 118.500 118.500 122.790 -4.290 RESID 195 (V): C 176.200 176.200 174.067 2.133 RESID 195 (V): CA 63.190 63.190 61.390 1.800 RESID 195 (V): CB 34.870 34.870 34.738 0.132 RESID 195 (V): H 8.484 8.484 8.642 -0.158 RESID 196 (Y): N 132.200 132.200 129.472 2.728 RESID 196 (Y): C 174.700 174.700 174.143 0.557 RESID 196 (Y): CA 57.000 57.000 57.418 -0.418 RESID 196 (Y): CB 41.250 41.250 40.192 1.058 RESID 196 (Y): H 9.989 9.989 8.982 1.007 RESID 197 (T): N 124.900 124.900 123.424 1.476 RESID 197 (T): C 174.300 174.300 173.363 0.937 RESID 197 (T): CA 60.740 60.740 60.636 0.104 RESID 197 (T): CB 68.560 68.560 71.607 -3.047 RESID 197 (T): H 8.262 8.262 7.826 0.436 RESID 198 (A): N 130.500 130.500 130.728 -0.228 RESID 198 (A): C 180.400 180.400 179.269 1.131 RESID 198 (A): CA 55.510 55.510 54.365 1.145 RESID 198 (A): CB 18.480 18.480 18.409 0.071 RESID 198 (A): H 8.524 8.524 8.855 -0.331 RESID 199 (A): N 118.700 118.700 123.574 -4.874 RESID 199 (A): C 177.700 177.700 178.700 -1.000 RESID 199 (A): CA 54.350 54.350 54.866 -0.516 RESID 199 (A): CB 18.350 18.350 17.910 0.440 RESID 199 (A): H 8.578 8.578 8.290 0.288 RESID 200 (A): N 116.700 116.700 120.518 -3.818 RESID 200 (A): C 176.600 176.600 177.260 -0.660 RESID 200 (A): CA 51.290 51.290 52.052 -0.762 RESID 200 (A): CB 20.180 20.180 18.869 1.311 RESID 200 (A): H 6.638 6.638 8.105 -1.467 RESID 201 (H): N 116.900 116.900 116.608 0.292 RESID 201 (H): C 172.900 172.900 173.400 -0.500 RESID 201 (H): CA 56.710 56.710 56.338 0.372 RESID 201 (H): CB 27.820 27.820 28.260 -0.440 RESID 201 (H): H 7.569 7.569 7.821 -0.252 RESID 202 (S): N 110.500 110.500 114.450 -3.950 RESID 202 (S): C 171.500 171.500 171.465 0.035 RESID 202 (S): CA 56.530 56.530 57.606 -1.076 RESID 202 (S): CB 66.170 66.170 66.303 -0.133 RESID 202 (S): H 7.109 7.109 7.804 -0.695 RESID 203 (A): N 120.900 120.900 123.907 -3.007 RESID 203 (A): C 174.900 174.900 175.283 -0.383 RESID 203 (A): CA 50.890 50.890 51.424 -0.534 RESID 203 (A): CB 24.510 24.510 22.206 2.304 RESID 203 (A): H 8.618 8.618 8.306 0.312 RESID 204 (N): N 118.900 118.900 118.851 0.049 RESID 204 (N): C 173.300 173.300 173.450 -0.150 RESID 204 (N): CA 51.520 51.520 52.068 -0.548 RESID 204 (N): CB 40.080 40.080 42.179 -2.099 RESID 204 (N): H 8.333 8.333 8.224 0.109 RESID 205 (L): N 127.200 127.200 121.694 5.506 RESID 205 (L): C 175.700 175.700 175.565 0.135 RESID 205 (L): CA 54.920 54.920 54.060 0.859 RESID 205 (L): CB 44.180 44.180 42.658 1.522 RESID 205 (L): H 9.265 9.265 7.611 1.654 RESID 206 (W): N 125.300 125.300 123.642 1.658 RESID 206 (W): C 177.100 177.100 176.449 0.651 RESID 206 (W): CA 56.630 56.630 57.369 -0.739 RESID 206 (W): CB 29.690 29.690 30.822 -1.132 RESID 206 (W): H 8.560 8.560 7.909 0.651 RESID 207 (T): N 112.000 112.000 110.205 1.795 RESID 207 (T): C 176.100 176.100 173.286 2.814 RESID 207 (T): CA 60.120 60.120 59.233 0.887 RESID 207 (T): CB 68.540 68.540 70.395 -1.855 RESID 207 (T): H 8.029 8.029 8.137 -0.108 RESID 208 (P): C 176.000 176.000 176.855 -0.855 RESID 208 (P): CA 66.120 66.120 65.400 0.720 RESID 208 (P): CB 31.950 31.950 32.166 -0.216 RESID 209 (E): N 112.300 112.300 115.020 -2.720 RESID 209 (E): C 177.100 177.100 176.809 0.291 RESID 209 (E): CA 57.280 57.280 57.218 0.062 RESID 209 (E): CB 29.760 29.760 30.146 -0.386 RESID 209 (E): H 7.612 7.612 7.971 -0.359 RESID 210 (S): N 115.800 115.800 115.054 0.746 RESID 210 (S): C 173.900 173.900 175.531 -1.631 RESID 210 (S): CA 58.060 58.060 59.198 -1.138 RESID 210 (S): CB 67.320 67.320 64.472 2.848 RESID 210 (S): H 7.654 7.654 7.429 0.225 RESID 211 (A): N 125.200 125.200 127.307 -2.107 RESID 211 (A): C 180.600 180.600 179.850 0.750 RESID 211 (A): CA 55.410 55.410 55.316 0.093 RESID 211 (A): CB 18.530 18.530 18.767 -0.237 RESID 211 (A): H 8.874 8.874 9.020 -0.146 RESID 212 (Q): N 119.200 119.200 118.636 0.564 RESID 212 (Q): C 177.100 177.100 178.016 -0.916 RESID 212 (Q): CA 61.410 61.410 58.968 2.442 RESID 212 (Q): CB 27.090 27.090 27.419 -0.329 RESID 212 (Q): H 8.493 8.493 8.477 0.016 RESID 213 (G): N 107.500 107.500 107.649 -0.149 RESID 213 (G): C 175.400 175.400 176.314 -0.914 RESID 213 (G): CA 47.520 47.520 46.831 0.689 RESID 213 (G): H 8.053 8.053 8.303 -0.250 RESID 214 (Q): N 120.700 120.700 121.475 -0.775 RESID 214 (Q): C 179.000 179.000 178.390 0.610 RESID 214 (Q): CA 59.150 59.150 58.864 0.286 RESID 214 (Q): CB 29.110 29.110 28.692 0.418 RESID 214 (Q): H 8.501 8.501 8.071 0.430 RESID 215 (M): N 119.200 119.200 120.625 -1.425 RESID 215 (M): C 177.800 177.800 178.170 -0.370 RESID 215 (M): CA 59.760 59.760 59.647 0.113 RESID 215 (M): CB 32.050 32.050 32.846 -0.796 RESID 215 (M): H 7.878 7.878 8.166 -0.288 RESID 216 (L): N 115.800 115.800 118.825 -3.025 RESID 216 (L): C 179.900 179.900 179.035 0.865 RESID 216 (L): CA 58.160 58.160 57.652 0.508 RESID 216 (L): CB 40.010 40.010 41.458 -1.448 RESID 216 (L): H 7.517 7.517 7.980 -0.463 RESID 217 (E): N 121.000 121.000 119.673 1.327 RESID 217 (E): C 182.200 182.200 179.252 2.948 RESID 217 (E): CA 60.210 60.210 58.924 1.286 RESID 217 (E): CB 29.150 29.150 29.423 -0.273 RESID 217 (E): H 8.377 8.377 8.183 0.194 RESID 218 (Q): N 122.300 122.300 117.141 5.159 RESID 218 (Q): C 178.100 178.100 178.904 -0.804 RESID 218 (Q): CA 59.220 59.220 58.280 0.940 RESID 218 (Q): CB 28.850 28.850 29.115 -0.265 RESID 218 (Q): H 8.464 8.464 7.921 0.543 RESID 219 (L): N 118.400 118.400 117.845 0.555 RESID 219 (L): C 175.200 175.200 177.426 -2.226 RESID 219 (L): CA 55.880 55.880 57.255 -1.375 RESID 219 (L): CB 44.330 44.330 42.876 1.454 RESID 219 (L): H 7.433 7.433 7.773 -0.340 RESID 220 (G): N 104.600 104.600 102.693 1.907 RESID 220 (G): C 174.700 174.700 172.931 1.769 RESID 220 (G): CA 44.750 44.750 44.686 0.064 RESID 220 (G): H 7.777 7.777 8.160 -0.383 RESID 221 (F): N 119.100 119.100 118.919 0.181 RESID 221 (F): C 175.200 175.200 174.349 0.851 RESID 221 (F): CA 57.900 57.900 55.952 1.948 RESID 221 (F): CB 38.930 38.930 42.780 -3.850 RESID 221 (F): H 8.001 8.001 7.774 0.227 RESID 222 (T): N 117.600 117.600 116.020 1.580 RESID 222 (T): C 173.900 173.900 173.382 0.518 RESID 222 (T): CA 61.790 61.790 61.218 0.572 RESID 222 (T): CB 71.360 71.360 69.750 1.610 RESID 222 (T): H 8.961 8.961 8.565 0.396 RESID 223 (L): N 128.300 128.300 127.110 1.190 RESID 223 (L): C 178.300 178.300 176.632 1.668 RESID 223 (L): CA 54.760 54.760 53.412 1.348 RESID 223 (L): CB 41.600 41.600 42.732 -1.132 RESID 223 (L): H 9.269 9.269 8.203 1.066 RESID 224 (A): N 126.800 126.800 128.101 -1.301 RESID 224 (A): C 177.400 177.400 175.855 1.545 RESID 224 (A): CA 52.460 52.460 50.988 1.472 RESID 224 (A): CB 18.650 18.650 20.836 -2.186 RESID 224 (A): H 9.077 9.077 8.104 0.973 RESID 225 (K): N 123.400 123.400 121.162 2.238 RESID 225 (K): C 176.800 176.800 176.189 0.611 RESID 225 (K): CA 55.600 55.600 55.571 0.029 RESID 225 (K): CB 33.080 33.080 32.912 0.168 RESID 225 (K): H 8.601 8.601 8.363 0.238 RESID 226 (L): N 126.200 126.200 127.999 -1.799 RESID 226 (L): C 175.500 175.500 175.613 -0.113 RESID 226 (L): CA 53.420 53.420 53.961 -0.541 RESID 226 (L): CB 41.720 41.720 41.239 0.481 RESID 226 (L): H 8.634 8.634 8.522 0.112 RESID 227 (P): C 176.800 176.800 177.077 -0.277 RESID 227 (P): CA 62.860 62.860 62.882 -0.022 RESID 227 (P): CB 32.360 32.360 32.192 0.168 RESID 228 (A): N 124.900 124.900 124.832 0.068 RESID 228 (A): C 179.500 179.500 178.496 1.004 RESID 228 (A): CA 54.120 54.120 53.428 0.692 RESID 228 (A): CB 18.710 18.710 18.701 0.009 RESID 228 (A): H 8.412 8.412 8.513 -0.101 RESID 229 (G): N 107.700 107.700 107.492 0.208 RESID 229 (G): C 175.000 175.000 175.995 -0.995 RESID 229 (G): CA 46.040 46.040 45.437 0.604 RESID 229 (G): H 8.565 8.565 8.099 0.466 RESID 230 (L): N 121.100 121.100 122.330 -1.230 RESID 230 (L): C 176.900 176.900 178.352 -1.452 RESID 230 (L): CA 55.620 55.620 55.532 0.088 RESID 230 (L): CB 42.630 42.630 41.696 0.934 RESID 230 (L): H 7.454 7.454 7.876 -0.422 RESID 231 (N): N 119.400 119.400 119.845 -0.445 RESID 231 (N): C 175.300 175.300 175.918 -0.618 RESID 231 (N): CA 53.650 53.650 56.148 -2.498 RESID 231 (N): CB 38.940 38.940 37.996 0.944 RESID 231 (N): H 8.211 8.211 8.015 0.196 RESID 232 (A): N 124.500 124.500 119.590 4.910 RESID 232 (A): C 178.100 178.100 178.082 0.018 RESID 232 (A): CA 53.110 53.110 51.711 1.399 RESID 232 (A): CB 19.340 19.340 18.035 1.305 RESID 232 (A): H 8.103 8.103 7.932 0.171 RESID 233 (S): N 115.200 115.200 115.226 -0.026 RESID 233 (S): C 175.100 175.100 175.575 -0.475 RESID 233 (S): CA 59.280 59.280 60.978 -1.698 RESID 233 (S): CB 64.280 64.280 63.331 0.948 RESID 233 (S): H 8.169 8.169 8.444 -0.275 RESID 234 (Q): N 122.100 122.100 120.604 1.496 RESID 234 (Q): C 176.400 176.400 175.666 0.734 RESID 234 (Q): CA 56.240 56.240 56.041 0.199 RESID 234 (Q): CB 29.490 29.490 30.830 -1.340 RESID 234 (Q): H 8.230 8.230 7.767 0.463 RESID 235 (S): N 117.100 117.100 118.107 -1.007 RESID 235 (S): C 174.900 174.900 174.680 0.220 RESID 235 (S): CA 58.910 58.910 58.938 -0.028 RESID 235 (S): CB 64.510 64.510 62.889 1.621 RESID 235 (S): H 8.229 8.229 8.438 -0.209 RESID 236 (Q): N 122.300 122.300 127.107 -4.807 RESID 236 (Q): C 176.700 176.700 175.438 1.262 RESID 236 (Q): CA 56.610 56.610 55.484 1.126 RESID 236 (Q): CB 29.280 29.280 27.651 1.629 RESID 236 (Q): H 8.372 8.372 8.854 -0.482 RESID 237 (G): N 110.400 110.400 109.004 1.396 RESID 237 (G): C 174.100 174.100 172.966 1.134 RESID 237 (G): CA 45.720 45.720 45.454 0.266 RESID 237 (G): H 8.381 8.381 7.574 0.807 RESID 238 (K): N 120.500 120.500 121.456 -0.956 RESID 238 (K): C 176.600 176.600 175.489 1.111 RESID 238 (K): CA 56.490 56.490 56.026 0.464 RESID 238 (K): CB 33.320 33.320 32.765 0.555 RESID 238 (K): H 7.968 7.968 8.361 -0.393 RESID 239 (R): N 120.900 120.900 125.013 -4.113 RESID 239 (R): CA 56.130 56.130 55.944 0.186 RESID 239 (R): CB 31.560 31.560 30.911 0.649 RESID 239 (R): H 8.159 8.159 8.505 -0.346 RESID 240 (H): C 174.800 174.800 176.508 -1.708 RESID 240 (H): CA 55.740 55.740 58.632 -2.892 RESID 240 (H): CB 29.760 29.760 30.073 -0.313 RESID 241 (D): N 119.800 119.800 119.228 0.572 RESID 241 (D): C 174.700 174.700 176.270 -1.570 RESID 241 (D): CA 55.500 55.500 55.977 -0.478 RESID 241 (D): CB 40.550 40.550 41.220 -0.670 RESID 241 (D): H 9.052 9.052 8.390 0.662 RESID 242 (I): N 115.200 115.200 114.996 0.204 RESID 242 (I): C 175.600 175.600 174.384 1.216 RESID 242 (I): CA 59.090 59.090 59.412 -0.322 RESID 242 (I): CB 43.670 43.670 40.922 2.748 RESID 242 (I): H 7.087 7.087 7.411 -0.324 RESID 243 (I): N 125.100 125.100 126.112 -1.012 RESID 243 (I): C 175.300 175.300 174.265 1.035 RESID 243 (I): CA 60.340 60.340 60.625 -0.285 RESID 243 (I): CB 41.290 41.290 38.431 2.859 RESID 243 (I): H 8.746 8.746 8.516 0.230 RESID 244 (Q): N 128.400 128.400 127.536 0.864 RESID 244 (Q): C 175.300 175.300 174.248 1.052 RESID 244 (Q): CA 56.460 56.460 54.929 1.531 RESID 244 (Q): CB 29.800 29.800 29.792 0.008 RESID 244 (Q): H 8.768 8.768 8.603 0.165 RESID 245 (L): N 125.500 125.500 123.478 2.022 RESID 245 (L): C 176.200 176.200 176.616 -0.416 RESID 245 (L): CA 53.790 53.790 53.109 0.681 RESID 245 (L): CB 45.100 45.100 44.879 0.221 RESID 245 (L): H 8.640 8.640 8.345 0.295 RESID 246 (G): N 109.700 109.700 105.070 4.630 RESID 246 (G): C 174.200 174.200 174.318 -0.118 RESID 246 (G): CA 44.590 44.590 45.043 -0.453 RESID 246 (G): H 8.424 8.424 8.444 -0.020 RESID 247 (G): N 108.500 108.500 108.661 -0.161 RESID 247 (G): C 176.800 176.800 174.978 1.822 RESID 247 (G): CA 47.500 47.500 44.355 3.145 RESID 247 (G): H 8.666 8.666 7.727 0.939 RESID 248 (E): N 123.700 123.700 121.227 2.473 RESID 248 (E): C 177.300 177.300 176.519 0.781 RESID 248 (E): CA 58.560 58.560 57.518 1.042 RESID 248 (E): CB 29.330 29.330 29.208 0.122 RESID 248 (E): H 9.265 9.265 8.813 0.452 RESID 249 (N): N 116.700 116.700 116.503 0.197 RESID 249 (N): C 175.500 175.500 175.993 -0.493 RESID 249 (N): CA 53.490 53.490 53.615 -0.125 RESID 249 (N): CB 39.390 39.390 38.763 0.627 RESID 249 (N): H 7.963 7.963 7.667 0.296 RESID 250 (L): N 121.100 121.100 119.930 1.170 RESID 250 (L): C 177.100 177.100 178.096 -0.996 RESID 250 (L): CA 58.810 58.810 57.050 1.760 RESID 250 (L): CB 42.220 42.220 41.477 0.743 RESID 250 (L): H 7.104 7.104 7.808 -0.704 RESID 251 (A): N 117.400 117.400 122.363 -4.963 RESID 251 (A): C 179.500 179.500 178.169 1.331 RESID 251 (A): CA 55.340 55.340 54.660 0.680 RESID 251 (A): CB 17.960 17.960 18.388 -0.428 RESID 251 (A): H 8.141 8.141 8.313 -0.172 RESID 252 (A): N 117.400 117.400 118.581 -1.181 RESID 252 (A): C 179.100 179.100 178.327 0.773 RESID 252 (A): CA 53.990 53.990 52.398 1.592 RESID 252 (A): CB 18.970 18.970 18.955 0.015 RESID 252 (A): H 7.375 7.375 8.410 -1.035 RESID 253 (G): N 100.600 100.600 107.909 -7.309 RESID 253 (G): C 172.700 172.700 174.799 -2.099 RESID 253 (G): CA 45.380 45.380 45.026 0.353 RESID 253 (G): H 7.589 7.589 7.540 0.049 RESID 254 (L): N 124.800 124.800 122.845 1.955 RESID 254 (L): C 175.300 175.300 177.581 -2.281 RESID 254 (L): CA 53.020 53.020 54.858 -1.838 RESID 254 (L): CB 39.090 39.090 42.103 -3.013 RESID 254 (L): H 7.202 7.202 7.792 -0.590 RESID 255 (N): N 113.800 113.800 121.477 -7.677 RESID 255 (N): C 176.600 176.600 176.255 0.345 RESID 255 (N): CA 53.420 53.420 54.017 -0.597 RESID 255 (N): CB 37.600 37.600 38.824 -1.224 RESID 255 (N): H 7.701 7.701 8.842 -1.141 RESID 256 (G): N 109.100 109.100 106.562 2.538 RESID 256 (G): C 172.200 172.200 174.567 -2.367 RESID 256 (G): CA 45.790 45.790 45.340 0.450 RESID 256 (G): H 7.856 7.856 8.557 -0.701 RESID 257 (E): N 120.100 120.100 118.460 1.640 RESID 257 (E): C 176.900 176.900 175.387 1.513 RESID 257 (E): CA 57.880 57.880 56.558 1.322 RESID 257 (E): CB 29.760 29.760 30.438 -0.678 RESID 257 (E): H 8.443 8.443 8.624 -0.181 RESID 258 (S): N 107.500 107.500 113.879 -6.379 RESID 258 (S): C 172.500 172.500 172.578 -0.078 RESID 258 (S): CA 58.010 58.010 58.787 -0.777 RESID 258 (S): CB 66.360 66.360 63.445 2.915 RESID 258 (S): H 7.176 7.176 7.986 -0.810 RESID 259 (L): N 124.900 124.900 127.783 -2.883 RESID 259 (L): C 173.900 173.900 176.349 -2.449 RESID 259 (L): CA 53.630 53.630 54.505 -0.875 RESID 259 (L): CB 46.240 46.240 42.316 3.925 RESID 259 (L): H 8.969 8.969 8.004 0.965 RESID 260 (F): N 123.700 123.700 123.063 0.637 RESID 260 (F): C 174.200 174.200 176.032 -1.832 RESID 260 (F): CA 56.460 56.460 54.978 1.482 RESID 260 (F): CB 41.560 41.560 40.459 1.101 RESID 260 (F): H 9.295 9.295 8.145 1.150 RESID 261 (L): N 123.900 123.900 120.128 3.772 RESID 261 (L): C 177.600 177.600 177.097 0.503 RESID 261 (L): CA 54.010 54.010 53.184 0.826 RESID 261 (L): CB 41.470 41.470 45.524 -4.054 RESID 261 (L): H 9.034 9.034 8.168 0.866 RESID 262 (F): N 123.800 123.800 122.370 1.430 RESID 262 (F): C 175.500 175.500 175.661 -0.161 RESID 262 (F): CA 58.850 58.850 56.902 1.948 RESID 262 (F): CB 39.930 39.930 38.501 1.429 RESID 262 (F): H 9.338 9.338 9.100 0.238 RESID 263 (A): N 121.900 121.900 124.120 -2.220 RESID 263 (A): C 175.300 175.300 177.024 -1.724 RESID 263 (A): CA 53.630 53.630 52.658 0.972 RESID 263 (A): CB 19.700 19.700 16.812 2.888 RESID 263 (A): H 8.902 8.902 8.308 0.594 RESID 264 (G): N 104.500 104.500 111.602 -7.102 RESID 264 (G): C 171.100 171.100 172.727 -1.627 RESID 264 (G): CA 45.540 45.540 45.059 0.481 RESID 264 (G): H 6.746 6.746 7.887 -1.141 RESID 265 (D): N 122.300 122.300 122.674 -0.374 RESID 265 (D): C 177.300 177.300 177.260 0.040 RESID 265 (D): CA 51.660 51.660 52.768 -1.108 RESID 265 (D): CB 42.840 42.840 42.268 0.572 RESID 265 (D): H 9.052 9.052 8.114 0.938 RESID 266 (Q): N 118.400 118.400 119.584 -1.184 RESID 266 (Q): C 177.600 177.600 177.459 0.141 RESID 266 (Q): CA 58.620 58.620 59.059 -0.439 RESID 266 (Q): CB 28.490 28.490 28.648 -0.158 RESID 266 (Q): H 8.277 8.277 8.604 -0.327 RESID 267 (K): N 117.700 117.700 118.780 -1.080 RESID 267 (K): C 180.400 180.400 178.084 2.316 RESID 267 (K): CA 59.390 59.390 59.547 -0.157 RESID 267 (K): CB 31.440 31.440 31.787 -0.346 RESID 267 (K): H 7.879 7.879 7.922 -0.043 RESID 268 (D): N 121.600 121.600 119.655 1.945 RESID 268 (D): C 177.400 177.400 178.341 -0.941 RESID 268 (D): CA 57.980 57.980 56.975 1.005 RESID 268 (D): CB 41.550 41.550 40.252 1.298 RESID 268 (D): H 7.640 7.640 8.112 -0.472 RESID 269 (A): N 121.700 121.700 121.465 0.235 RESID 269 (A): C 179.000 179.000 178.419 0.581 RESID 269 (A): CA 55.640 55.640 54.922 0.718 RESID 269 (A): CB 17.490 17.490 18.194 -0.704 RESID 269 (A): H 7.370 7.370 7.617 -0.247 RESID 270 (D): N 118.200 118.200 117.921 0.279 RESID 270 (D): C 179.300 179.300 176.517 2.783 RESID 270 (D): CA 57.570 57.570 56.314 1.256 RESID 270 (D): CB 39.860 39.860 40.251 -0.391 RESID 270 (D): H 8.735 8.735 7.951 0.784 RESID 271 (A): N 122.900 122.900 119.885 3.015 RESID 271 (A): C 180.800 180.800 179.327 1.473 RESID 271 (A): CA 55.040 55.040 53.570 1.470 RESID 271 (A): CB 18.300 18.300 19.321 -1.021 RESID 271 (A): H 7.579 7.579 7.047 0.532 RESID 272 (I): N 0.000 0.000 120.457 -120.457 RESID 272 (I): C 178.300 178.300 176.947 1.353 RESID 272 (I): CA 63.880 63.880 64.658 -0.778 RESID 272 (I): CB 35.710 35.710 38.127 -2.417 RESID 272 (I): H 7.340 7.340 8.393 -1.053 RESID 273 (Y): N 116.300 116.300 116.970 -0.670 RESID 273 (Y): C 177.000 177.000 176.769 0.231 RESID 273 (Y): CA 61.100 61.100 58.311 2.789 RESID 273 (Y): CB 37.770 37.770 35.837 1.933 RESID 273 (Y): H 7.509 7.509 7.291 0.218 RESID 274 (A): N 118.600 118.600 121.813 -3.213 RESID 274 (A): C 177.200 177.200 177.184 0.016 RESID 274 (A): CA 52.030 52.030 52.991 -0.961 RESID 274 (A): CB 19.580 19.580 19.425 0.154 RESID 274 (A): H 7.495 7.495 7.828 -0.333 RESID 275 (N): N 119.900 119.900 118.253 1.647 RESID 275 (N): C 175.700 175.700 174.013 1.687 RESID 275 (N): CA 51.030 51.030 51.345 -0.315 RESID 275 (N): CB 38.590 38.590 37.031 1.559 RESID 275 (N): H 7.200 7.200 7.955 -0.755 RESID 276 (P): C 178.900 178.900 178.498 0.402 RESID 276 (P): CA 65.190 65.190 65.475 -0.285 RESID 276 (P): CB 32.440 32.440 32.039 0.401 RESID 277 (L): N 116.700 116.700 117.405 -0.705 RESID 277 (L): C 178.000 178.000 178.926 -0.926 RESID 277 (L): CA 56.630 56.630 57.553 -0.923 RESID 277 (L): CB 41.720 41.720 41.507 0.213 RESID 277 (L): H 7.777 7.777 7.927 -0.150 RESID 278 (L): N 115.100 115.100 116.583 -1.483 RESID 278 (L): C 176.600 176.600 177.872 -1.272 RESID 278 (L): CA 53.200 53.200 54.943 -1.743 RESID 278 (L): CB 40.960 40.960 41.291 -0.331 RESID 278 (L): H 7.485 7.485 7.678 -0.193 RESID 279 (A): N 118.600 118.600 123.085 -4.485 RESID 279 (A): C 177.700 177.700 177.802 -0.102 RESID 279 (A): CA 55.090 55.090 54.367 0.723 RESID 279 (A): CB 19.710 19.710 18.605 1.105 RESID 279 (A): H 6.665 6.665 7.915 -1.250 RESID 280 (H): N 111.600 111.600 115.282 -3.682 RESID 280 (H): C 175.500 175.500 175.204 0.296 RESID 280 (H): CA 55.360 55.360 56.247 -0.887 RESID 280 (H): CB 29.540 29.540 28.645 0.895 RESID 280 (H): H 8.337 8.337 8.195 0.142 RESID 281 (L): N 124.100 124.100 122.486 1.614 RESID 281 (L): C 176.300 176.300 175.865 0.435 RESID 281 (L): CA 53.330 53.330 52.960 0.370 RESID 281 (L): CB 40.490 40.490 41.954 -1.464 RESID 281 (L): H 7.289 7.289 7.447 -0.158 RESID 282 (P): C 178.200 178.200 178.375 -0.175 RESID 282 (P): CA 66.050 66.050 65.674 0.376 RESID 282 (P): CB 32.150 32.150 31.730 0.420 RESID 283 (A): N 116.000 116.000 119.245 -3.245 RESID 283 (A): C 179.000 179.000 179.836 -0.836 RESID 283 (A): CA 55.630 55.630 55.194 0.436 RESID 283 (A): CB 19.490 19.490 18.183 1.307 RESID 283 (A): H 7.969 7.969 8.426 -0.457 RESID 284 (V): N 115.200 115.200 118.498 -3.298 RESID 284 (V): C 180.000 180.000 178.928 1.072 RESID 284 (V): CA 65.640 65.640 65.887 -0.247 RESID 284 (V): CB 32.560 32.560 30.820 1.740 RESID 284 (V): H 6.557 6.557 7.681 -1.124 RESID 285 (Q): N 121.200 121.200 120.447 0.753 RESID 285 (Q): C 178.000 178.000 177.652 0.348 RESID 285 (Q): CA 59.500 59.500 58.798 0.702 RESID 285 (Q): CB 29.080 29.080 28.608 0.471 RESID 285 (Q): H 8.581 8.581 7.809 0.772 RESID 286 (N): N 112.600 112.600 113.989 -1.389 RESID 286 (N): C 174.500 174.500 173.850 0.650 RESID 286 (N): CA 53.160 53.160 52.710 0.450 RESID 286 (N): CB 38.390 38.390 38.733 -0.342 RESID 286 (N): H 8.117 8.117 8.045 0.072 RESID 287 (K): N 118.500 118.500 115.946 2.554 RESID 287 (K): C 176.100 176.100 176.226 -0.126 RESID 287 (K): CA 57.540 57.540 57.308 0.232 RESID 287 (K): CB 28.570 28.570 29.547 -0.977 RESID 287 (K): H 7.724 7.724 7.693 0.031 RESID 288 (Q): N 119.700 119.700 117.143 2.557 RESID 288 (Q): C 173.700 173.700 174.074 -0.374 RESID 288 (Q): CA 52.970 52.970 54.830 -1.860 RESID 288 (Q): CB 28.640 28.640 28.964 -0.324 RESID 288 (Q): H 8.895 8.895 8.421 0.474 RESID 289 (V): N 119.200 119.200 118.578 0.622 RESID 289 (V): C 175.100 175.100 175.017 0.083 RESID 289 (V): CA 61.600 61.600 61.066 0.534 RESID 289 (V): CB 32.610 32.610 33.813 -1.203 RESID 289 (V): H 6.246 6.246 6.905 -0.659 RESID 290 (Y): N 125.700 125.700 124.347 1.353 RESID 290 (Y): C 174.100 174.100 174.478 -0.378 RESID 290 (Y): CA 56.830 56.830 56.533 0.297 RESID 290 (Y): CB 40.950 40.950 42.374 -1.424 RESID 290 (Y): H 8.682 8.682 9.093 -0.411 RESID 291 (A): N 126.900 126.900 122.012 4.888 RESID 291 (A): C 178.300 178.300 176.711 1.589 RESID 291 (A): CA 51.560 51.560 50.398 1.162 RESID 291 (A): CB 19.670 19.670 21.249 -1.579 RESID 291 (A): H 9.057 9.057 8.651 0.406 RESID 292 (L): N 120.800 120.800 119.799 1.001 RESID 292 (L): C 175.500 175.500 176.235 -0.735 RESID 292 (L): CA 54.880 54.880 54.246 0.634 RESID 292 (L): CB 42.490 42.490 42.265 0.225 RESID 292 (L): H 8.342 8.342 8.919 -0.577 RESID 293 (G): N 107.500 107.500 103.849 3.651 RESID 293 (G): C 177.600 177.600 174.081 3.519 RESID 293 (G): CA 45.110 45.110 44.436 0.674 RESID 293 (G): H 7.973 7.973 7.384 0.589 RESID 294 (T): N 117.800 117.800 116.733 1.067 RESID 294 (T): C 176.400 176.400 176.011 0.389 RESID 294 (T): CA 65.260 65.260 65.202 0.058 RESID 294 (T): CB 68.310 68.310 69.167 -0.857 RESID 294 (T): H 8.808 8.808 8.573 0.235 RESID 295 (E): N 122.100 122.100 119.940 2.160 RESID 295 (E): C 177.700 177.700 176.596 1.104 RESID 295 (E): CA 58.540 58.540 58.319 0.221 RESID 295 (E): CB 29.010 29.010 28.770 0.240 RESID 295 (E): H 10.380 10.380 8.841 1.539 RESID 296 (T): N 103.000 103.000 108.612 -5.612 RESID 296 (T): C 173.600 173.600 174.309 -0.709 RESID 296 (T): CA 62.320 62.320 61.233 1.087 RESID 296 (T): CB 69.170 69.170 67.760 1.410 RESID 296 (T): H 7.062 7.062 7.914 -0.852 RESID 297 (F): N 121.500 121.500 123.078 -1.578 RESID 297 (F): C 174.500 174.500 175.857 -1.357 RESID 297 (F): CA 61.700 61.700 61.036 0.664 RESID 297 (F): CB 39.640 39.640 39.773 -0.133 RESID 297 (F): H 8.108 8.108 7.804 0.304 RESID 298 (R): N 116.800 116.800 119.779 -2.979 RESID 298 (R): C 176.000 176.000 175.098 0.902 RESID 298 (R): CA 54.160 54.160 55.754 -1.594 RESID 298 (R): CB 32.460 32.460 31.090 1.370 RESID 298 (R): H 7.552 7.552 8.240 -0.688 RESID 299 (L): N 125.500 125.500 126.412 -0.912 RESID 299 (L): C 174.800 174.800 174.472 0.328 RESID 299 (L): CA 54.300 54.300 53.881 0.419 RESID 299 (L): CB 41.670 41.670 44.090 -2.420 RESID 299 (L): H 8.903 8.903 8.427 0.476 RESID 300 (D): N 124.600 124.600 124.331 0.269 RESID 300 (D): C 173.400 173.400 175.636 -2.236 RESID 300 (D): CA 51.880 51.880 53.247 -1.367 RESID 300 (D): CB 43.230 43.230 42.630 0.600 RESID 300 (D): H 7.735 7.735 8.776 -1.041 RESID 301 (Y): N 118.100 118.100 121.406 -3.306 RESID 301 (Y): C 175.300 175.300 176.158 -0.858 RESID 301 (Y): CA 61.650 61.650 63.297 -1.647 RESID 301 (Y): CB 38.740 38.740 38.697 0.043 RESID 301 (Y): H 7.943 7.943 8.991 -1.048 RESID 302 (Y): N 112.300 112.300 115.456 -3.156 RESID 302 (Y): C 180.800 180.800 177.629 3.171 RESID 302 (Y): CA 61.970 61.970 60.930 1.040 RESID 302 (Y): CB 37.990 37.990 37.992 -0.001 RESID 302 (Y): H 7.309 7.309 8.119 -0.810 RESID 303 (S): N 119.100 119.100 115.723 3.377 RESID 303 (S): C 176.300 176.300 176.506 -0.206 RESID 303 (S): CA 60.690 60.690 61.514 -0.824 RESID 303 (S): CB 63.180 63.180 62.678 0.501 RESID 303 (S): H 9.411 9.411 9.420 -0.009 RESID 304 (A): N 126.900 126.900 125.469 1.431 RESID 304 (A): C 180.400 180.400 179.351 1.049 RESID 304 (A): CA 56.000 56.000 54.903 1.097 RESID 304 (A): CB 18.040 18.040 17.929 0.111 RESID 304 (A): H 8.860 8.860 7.841 1.019 RESID 305 (M): N 116.600 116.600 117.976 -1.376 RESID 305 (M): C 179.300 179.300 178.879 0.421 RESID 305 (M): CA 57.880 57.880 59.762 -1.882 RESID 305 (M): CB 31.350 31.350 32.388 -1.038 RESID 305 (M): H 7.346 7.346 7.507 -0.161 RESID 306 (Q): N 119.300 119.300 118.808 0.492 RESID 306 (Q): C 179.000 179.000 178.835 0.165 RESID 306 (Q): CA 59.410 59.410 58.880 0.530 RESID 306 (Q): CB 28.450 28.450 28.825 -0.375 RESID 306 (Q): H 7.633 7.633 7.772 -0.139 RESID 308 (L): C 178.700 178.700 178.488 0.212 RESID 308 (L): CA 58.690 58.690 58.427 0.263 RESID 308 (L): CB 41.790 41.790 41.385 0.405 RESID 309 (D): N 119.100 119.100 119.074 0.026 RESID 309 (D): C 179.600 179.600 178.884 0.716 RESID 309 (D): CA 57.830 57.830 57.553 0.277 RESID 309 (D): CB 40.820 40.820 40.334 0.486 RESID 309 (D): H 7.984 7.984 8.029 -0.045 RESID 310 (R): N 121.700 121.700 120.600 1.100 RESID 310 (R): C 178.900 178.900 178.734 0.166 RESID 310 (R): CA 58.590 58.590 59.190 -0.600 RESID 310 (R): CB 29.820 29.820 30.154 -0.334 RESID 310 (R): H 8.463 8.463 7.598 0.865 RESID 311 (L): N 119.200 119.200 119.916 -0.716 RESID 311 (L): C 178.800 178.800 178.725 0.075 RESID 311 (L): CA 58.380 58.380 58.109 0.271 RESID 311 (L): CB 42.340 42.340 41.844 0.496 RESID 311 (L): H 8.489 8.489 8.334 0.155 RESID 312 (K): N 116.500 116.500 118.739 -2.239 RESID 312 (K): C 178.000 178.000 178.406 -0.406 RESID 312 (K): CA 59.250 59.250 59.178 0.072 RESID 312 (K): CB 32.440 32.440 32.494 -0.054 RESID 312 (K): H 7.955 7.955 8.203 -0.248 RESID 313 (A): N 119.500 119.500 120.828 -1.328 RESID 313 (A): C 180.000 180.000 178.628 1.372 RESID 313 (A): CA 53.920 53.920 53.292 0.628 RESID 313 (A): CB 18.800 18.800 19.253 -0.453 RESID 313 (A): H 7.427 7.427 7.740 -0.313 RESID 314 (L): N 119.500 119.500 119.162 0.338 RESID 314 (L): C 177.400 177.400 176.455 0.945 RESID 314 (L): CA 56.770 56.770 57.233 -0.463 RESID 314 (L): CB 43.730 43.730 42.353 1.377 RESID 314 (L): H 7.431 7.431 8.124 -0.693 N HA C CA CB H RESID 26 (W): -3.463 ----- -0.874 0.393 3.271 0.114 RESID 27 (P): ----- ----- -0.005 -0.292 4.932 ----- RESID 28 (R): -3.820 ----- -1.391 0.702 0.756 0.065 RESID 29 (Q): -0.801 ----- 0.591 -1.267 1.425 -0.084 RESID 30 (I): -1.795 ----- 0.662 -0.909 -0.555 1.059 RESID 31 (T): 3.180 ----- 0.739 -1.280 1.040 0.586 RESID 32 (D): 5.273 ----- 1.065 0.614 -1.005 1.395 RESID 33 (S): -4.491 ----- -0.542 0.324 -0.374 -0.223 RESID 34 (R): -2.369 ----- -0.650 -3.649 0.200 0.366 RESID 35 (G): 5.114 ----- -2.255 -0.519 ----- -0.768 RESID 36 (T): 0.433 ----- 0.948 0.096 -0.193 0.538 RESID 37 (H): 0.455 ----- 0.740 -1.308 -2.013 0.365 RESID 38 (T): 3.975 ----- 1.342 2.092 -1.215 1.512 RESID 39 (L): 7.127 ----- 0.083 0.513 -0.880 0.443 RESID 40 (E): -1.683 ----- -0.327 0.319 0.481 0.131 RESID 41 (S): -1.943 ----- -1.496 -0.887 0.630 -0.163 RESID 42 (Q): 3.302 ----- -0.157 -1.999 0.536 -1.262 RESID 43 (P): ----- ----- -0.302 0.756 0.077 ----- RESID 44 (Q): 2.671 ----- -0.629 -1.505 2.878 2.597 RESID 45 (R): 8.209 ----- 0.500 0.072 -0.000 2.439 RESID 47 (V): ----- ----- 0.363 -0.272 -0.268 ----- RESID 48 (S): -1.984 ----- 1.910 -1.906 -1.105 -0.643 RESID 49 (T): 4.186 ----- -2.922 0.942 -0.394 -0.361 RESID 50 (S): -0.420 ----- -0.591 -2.035 -0.055 -0.108 RESID 51 (V): 5.259 ----- -2.735 -0.432 -0.186 0.240 RESID 52 (T): 0.820 ----- 3.387 0.477 0.504 -0.165 RESID 53 (L): 1.433 ----- 0.525 -0.753 0.865 -0.527 RESID 54 (T): 1.767 ----- -1.744 -0.666 ----- -0.097 RESID 55 (G): -3.699 ----- -0.182 0.303 ----- -1.279 RESID 56 (S): -0.783 ----- -1.157 1.925 1.972 -1.255 RESID 58 (L): ----- ----- 1.770 -0.289 -0.110 ----- RESID 59 (A): -0.767 ----- -0.316 0.737 -0.317 -0.340 RESID 60 (I): ----- ----- -1.546 0.137 0.447 ----- RESID 61 (D): -2.319 ----- 0.253 0.040 -0.040 -0.005 RESID 62 (A): -3.029 ----- 2.685 -0.844 -1.621 0.081 RESID 63 (P): ----- ----- -2.113 0.592 -4.693 ----- RESID 64 (V): 3.881 ----- -0.925 -1.452 -0.817 0.436 RESID 65 (I): -4.280 ----- 1.547 -3.007 1.274 0.210 RESID 66 (A): 4.278 ----- -0.081 0.638 1.471 -0.415 RESID 67 (S): -5.080 ----- 2.244 -2.090 -2.412 0.238 RESID 68 (G): 5.596 ----- -1.618 2.056 ----- -1.047 RESID 69 (A): -3.734 ----- 2.667 -1.178 2.067 -0.833 RESID 70 (T): 5.428 ----- -2.709 -3.140 1.016 1.001 RESID 71 (T): -5.093 ----- -0.405 0.050 1.575 -0.810 RESID 72 (P): ----- ----- 0.970 -0.227 0.730 ----- RESID 73 (N): -4.567 ----- -1.618 0.729 -1.456 -0.701 RESID 74 (N): ----- ----- -1.182 4.988 0.336 ----- RESID 75 (R): -6.341 ----- -0.152 1.076 1.060 -0.278 RESID 76 (V): -10.237 ----- 0.053 -2.935 2.041 -0.827 RESID 77 (A): 5.848 ----- -1.063 -1.012 5.123 0.718 RESID 78 (D): 1.785 ----- 2.209 -0.947 0.359 0.429 RESID 79 (D): 0.824 ----- 0.277 1.080 0.863 -0.168 RESID 80 (Q): -4.383 ----- -1.184 -1.536 2.411 -0.180 RESID 81 (G): 0.034 ----- 0.853 0.950 ----- -0.645 RESID 82 (F): 0.614 ----- -0.438 -4.253 -2.612 0.306 RESID 83 (L): ----- ----- 0.958 0.358 -3.478 ----- RESID 84 (R): 0.311 ----- 0.757 3.455 1.654 -0.688 RESID 85 (Q): -2.580 ----- -2.688 0.196 -3.153 1.871 RESID 86 (W): -6.508 ----- -1.781 -5.059 -2.069 -1.940 RESID 87 (S): 3.729 ----- 1.465 0.496 ----- -1.266 RESID 88 (K): -3.910 ----- 0.186 0.468 -0.090 0.991 RESID 89 (V): 6.320 ----- 0.787 0.085 0.503 -0.675 RESID 90 (A): -0.429 ----- 1.083 1.369 1.447 0.680 RESID 91 (K): -0.423 ----- 3.030 0.994 0.005 -0.253 RESID 92 (E): 5.104 ----- 1.506 2.307 -0.672 0.477 RESID 93 (R): -3.158 ----- 0.326 0.792 -1.525 -0.277 RESID 94 (K): 1.758 ----- 0.663 -0.655 -1.436 -0.698 RESID 95 (L): -1.037 ----- 0.296 0.708 1.042 0.076 RESID 96 (Q): 0.448 ----- -0.973 0.620 0.328 -0.877 RESID 97 (R): 6.474 ----- 0.583 -1.054 1.598 0.499 RESID 98 (L): 3.551 ----- -0.389 2.490 3.273 -0.456 RESID 99 (Y): -2.044 ----- -1.387 -0.842 -1.011 -1.360 RESID 100 (I): -6.200 ----- -0.347 -1.809 3.567 0.092 RESID 101 (G): 0.887 ----- -0.696 2.206 ----- -0.263 RESID 102 (E): 10.909 ----- -0.783 0.467 2.025 0.287 RESID 103 (P): ----- ----- -0.835 -1.379 -0.091 ----- RESID 104 (S): -5.241 ----- 0.166 -3.172 -0.084 -2.558 RESID 105 (A): 0.268 ----- 0.352 0.753 -0.899 0.330 RESID 106 (E): 0.356 ----- 0.441 1.244 -0.475 0.145 RESID 107 (A): -0.775 ----- 0.316 -0.437 0.850 -0.175 RESID 108 (V): -1.683 ----- -0.934 1.153 0.333 -0.525 RESID 109 (A): -1.975 ----- 1.742 0.530 -0.219 0.074 RESID 110 (A): -0.736 ----- 0.253 -0.252 -0.033 -0.309 RESID 111 (Q): -1.020 ----- -1.036 0.923 -0.215 -0.299 RESID 112 (M): -6.189 ----- 0.039 0.381 -1.452 -0.039 RESID 113 (P): ----- ----- 0.372 0.237 0.328 ----- RESID 114 (D): -2.102 ----- -0.029 -2.105 -1.941 0.641 RESID 115 (L): ----- ----- 0.596 -1.319 ----- ----- RESID 116 (I): -2.740 ----- ----- 0.164 ----- 1.235 RESID 118 (I): ----- ----- -1.049 0.480 1.211 ----- RESID 119 (S): 0.004 ----- 0.606 -0.612 0.705 1.003 RESID 120 (A): 1.321 ----- -0.525 -0.052 1.513 -0.548 RESID 121 (T): -3.694 ----- -0.379 -2.450 1.698 -0.365 RESID 122 (G): -7.152 ----- 3.022 -0.777 ----- 0.116 RESID 123 (G): ----- ----- -0.223 1.030 ----- ----- RESID 124 (D): -2.265 ----- 1.176 -0.592 0.056 0.888 RESID 125 (S): -3.971 ----- 1.736 0.105 0.110 -1.113 RESID 126 (A): 4.820 ----- -1.955 -2.347 -2.240 0.210 RESID 127 (L): -0.055 ----- 0.562 1.457 1.221 -0.808 RESID 128 (A): 3.507 ----- 0.801 0.861 -0.500 1.294 RESID 129 (L): 0.666 ----- -0.857 -1.292 -0.413 0.352 RESID 130 (Y): -0.861 ----- 0.366 1.473 1.028 -1.101 RESID 131 (D): 1.196 ----- -0.141 0.588 0.297 0.903 RESID 132 (Q): -1.076 ----- 0.204 0.321 0.557 -0.181 RESID 133 (L): -0.498 ----- -0.697 0.223 -0.810 -0.364 RESID 134 (S): -2.942 ----- -0.591 -0.195 0.720 -0.354 RESID 135 (T): -4.922 ----- -1.316 -2.078 0.655 -0.607 RESID 136 (I): 3.904 ----- 0.208 -0.091 0.290 0.331 RESID 137 (A): 1.844 ----- -1.684 -0.110 -0.155 -0.436 RESID 138 (P): ----- ----- -1.454 1.057 0.121 ----- RESID 139 (T): 2.223 ----- 0.000 -1.499 1.837 -0.156 RESID 140 (L): ----- ----- 0.614 -0.747 0.488 ----- RESID 141 (I): -1.792 ----- 0.439 -0.766 0.879 1.331 RESID 142 (I): 0.748 ----- 0.248 -1.948 -2.572 -0.121 RESID 143 (N): 4.778 ----- 0.489 -1.970 0.129 0.715 RESID 144 (Y): -6.445 ----- 1.650 -3.847 -0.038 -0.025 RESID 145 (D): 0.838 ----- 1.784 -0.236 3.360 0.455 RESID 146 (D): 4.060 ----- -0.069 -0.384 -1.702 -1.023 RESID 147 (K): -5.749 ----- -0.272 -1.551 -1.782 -0.549 RESID 148 (S): -0.480 ----- -0.376 -0.049 0.706 0.215 RESID 149 (W): 1.799 ----- 2.072 1.316 -0.732 -0.124 RESID 150 (Q): 3.203 ----- 0.297 3.378 -1.196 1.621 RESID 151 (S): 1.135 ----- 0.591 0.534 0.628 0.032 RESID 152 (L): 2.473 ----- 0.545 0.394 0.283 0.073 RESID 153 (L): 0.567 ----- 1.046 1.433 -0.101 0.933 RESID 154 (T): 3.516 ----- 0.305 1.317 0.537 0.152 RESID 155 (Q): 3.522 ----- 1.197 1.381 0.268 0.318 RESID 156 (L): ----- ----- 1.636 0.622 -0.126 ----- RESID 157 (G): 5.780 ----- -0.589 1.786 ----- 1.218 RESID 158 (E): 4.814 ----- 0.657 1.255 0.321 0.021 RESID 160 (T): ----- ----- 2.297 -1.191 2.672 ----- RESID 161 (G): -0.289 ----- 0.452 1.252 ----- -0.877 RESID 162 (H): 4.906 ----- -2.188 -0.526 -3.003 0.668 RESID 163 (E): 1.774 ----- 2.330 1.426 -0.437 1.553 RESID 164 (K): 0.236 ----- -0.093 -0.464 0.308 0.396 RESID 165 (Q): 2.203 ----- 0.667 2.032 -0.269 -0.482 RESID 166 (A): -1.348 ----- -1.424 1.316 0.225 -0.173 RESID 167 (A): -3.040 ----- 1.887 -0.166 -0.307 -1.120 RESID 168 (E): 1.542 ----- 0.468 -0.002 0.452 0.326 RESID 170 (I): ----- ----- 0.005 1.575 1.359 ----- RESID 171 (A): -2.480 ----- 1.360 -0.349 0.148 -0.780 RESID 172 (Q): 2.579 ----- 0.619 0.714 -0.259 0.641 RESID 173 (F): -0.145 ----- -1.009 1.596 0.364 -0.316 RESID 174 (D): 0.905 ----- 1.418 0.542 -0.092 -0.267 RESID 175 (K): 1.099 ----- 1.166 -0.001 0.313 -0.055 RESID 176 (Q): 2.094 ----- 0.769 -0.477 -0.533 0.341 RESID 177 (L): 6.011 ----- -0.270 2.653 -0.156 1.210 RESID 178 (A): -1.054 ----- 1.369 0.198 0.089 -0.522 RESID 179 (A): -0.773 ----- 0.711 0.339 -0.407 0.051 RESID 180 (A): -0.041 ----- 0.096 0.748 -0.263 0.176 RESID 181 (K): 0.179 ----- -0.092 0.631 0.707 0.030 RESID 182 (E): -2.161 ----- -0.141 0.750 1.070 -0.592 RESID 183 (Q): -0.690 ----- 1.022 0.229 0.424 -0.182 RESID 184 (I): 1.947 ----- 0.956 3.257 0.336 0.290 RESID 185 (K): 4.738 ----- -0.024 -0.574 -2.897 0.829 RESID 186 (L): -1.067 ----- -0.215 2.361 0.379 -0.425 RESID 188 (P): ----- ----- -1.458 1.476 1.014 ----- RESID 189 (Q): 0.202 ----- 1.878 -2.395 0.958 -0.165 RESID 190 (P): ----- ----- -0.047 0.358 2.631 ----- RESID 191 (V): -9.014 ----- 0.332 0.223 0.335 0.685 RESID 192 (T): 7.388 ----- 0.211 3.492 0.303 0.144 RESID 193 (A): 9.903 ----- -0.001 -0.570 -0.300 1.607 RESID 194 (I): -2.084 ----- 2.906 -0.470 1.814 0.742 RESID 195 (V): -4.290 ----- 2.133 1.800 0.132 -0.158 RESID 196 (Y): 2.728 ----- 0.557 -0.418 1.058 1.007 RESID 197 (T): 1.476 ----- 0.937 0.104 -3.047 0.436 RESID 198 (A): -0.228 ----- 1.131 1.145 0.071 -0.331 RESID 199 (A): -4.874 ----- -1.000 -0.516 0.440 0.288 RESID 200 (A): -3.818 ----- -0.660 -0.762 1.311 -1.467 RESID 201 (H): 0.292 ----- -0.500 0.372 -0.440 -0.252 RESID 202 (S): -3.950 ----- 0.035 -1.076 -0.133 -0.695 RESID 203 (A): -3.007 ----- -0.383 -0.534 2.304 0.312 RESID 204 (N): 0.049 ----- -0.150 -0.548 -2.099 0.109 RESID 205 (L): 5.506 ----- 0.135 0.859 1.522 1.654 RESID 206 (W): 1.658 ----- 0.651 -0.739 -1.132 0.651 RESID 207 (T): 1.795 ----- 2.814 0.887 -1.855 -0.108 RESID 208 (P): ----- ----- -0.855 0.720 -0.216 ----- RESID 209 (E): -2.720 ----- 0.291 0.062 -0.386 -0.359 RESID 210 (S): 0.746 ----- -1.631 -1.138 2.848 0.225 RESID 211 (A): -2.107 ----- 0.750 0.093 -0.237 -0.146 RESID 212 (Q): 0.564 ----- -0.916 2.442 -0.329 0.016 RESID 213 (G): -0.149 ----- -0.914 0.689 ----- -0.250 RESID 214 (Q): -0.775 ----- 0.610 0.286 0.418 0.430 RESID 215 (M): -1.425 ----- -0.370 0.113 -0.796 -0.288 RESID 216 (L): -3.025 ----- 0.865 0.508 -1.448 -0.463 RESID 217 (E): 1.327 ----- 2.948 1.286 -0.273 0.194 RESID 218 (Q): 5.159 ----- -0.804 0.940 -0.265 0.543 RESID 219 (L): 0.555 ----- -2.226 -1.375 1.454 -0.340 RESID 220 (G): 1.907 ----- 1.769 0.064 ----- -0.383 RESID 221 (F): 0.181 ----- 0.851 1.948 -3.850 0.227 RESID 222 (T): 1.580 ----- 0.518 0.572 1.610 0.396 RESID 223 (L): 1.190 ----- 1.668 1.348 -1.132 1.066 RESID 224 (A): -1.301 ----- 1.545 1.472 -2.186 0.973 RESID 225 (K): 2.238 ----- 0.611 0.029 0.168 0.238 RESID 226 (L): -1.799 ----- -0.113 -0.541 0.481 0.112 RESID 227 (P): ----- ----- -0.277 -0.022 0.168 ----- RESID 228 (A): 0.068 ----- 1.004 0.692 0.009 -0.101 RESID 229 (G): 0.208 ----- -0.995 0.604 ----- 0.466 RESID 230 (L): -1.230 ----- -1.452 0.088 0.934 -0.422 RESID 231 (N): -0.445 ----- -0.618 -2.498 0.944 0.196 RESID 232 (A): 4.910 ----- 0.018 1.399 1.305 0.171 RESID 233 (S): -0.026 ----- -0.475 -1.698 0.948 -0.275 RESID 234 (Q): 1.496 ----- 0.734 0.199 -1.340 0.463 RESID 235 (S): -1.007 ----- 0.220 -0.028 1.621 -0.209 RESID 236 (Q): -4.807 ----- 1.262 1.126 1.629 -0.482 RESID 237 (G): 1.396 ----- 1.134 0.266 ----- 0.807 RESID 238 (K): -0.956 ----- 1.111 0.464 0.555 -0.393 RESID 239 (R): -4.113 ----- ----- 0.186 0.649 -0.346 RESID 240 (H): ----- ----- -1.708 -2.892 -0.313 ----- RESID 241 (D): 0.572 ----- -1.570 -0.478 -0.670 0.662 RESID 242 (I): 0.204 ----- 1.216 -0.322 2.748 -0.324 RESID 243 (I): -1.012 ----- 1.035 -0.285 2.859 0.230 RESID 244 (Q): 0.864 ----- 1.052 1.531 0.008 0.165 RESID 245 (L): 2.022 ----- -0.416 0.681 0.221 0.295 RESID 246 (G): 4.630 ----- -0.118 -0.453 ----- -0.020 RESID 247 (G): -0.161 ----- 1.822 3.145 ----- 0.939 RESID 248 (E): 2.473 ----- 0.781 1.042 0.122 0.452 RESID 249 (N): 0.197 ----- -0.493 -0.125 0.627 0.296 RESID 250 (L): 1.170 ----- -0.996 1.760 0.743 -0.704 RESID 251 (A): -4.963 ----- 1.331 0.680 -0.428 -0.172 RESID 252 (A): -1.181 ----- 0.773 1.592 0.015 -1.035 RESID 253 (G): -7.309 ----- -2.099 0.353 ----- 0.049 RESID 254 (L): 1.955 ----- -2.281 -1.838 -3.013 -0.590 RESID 255 (N): -7.677 ----- 0.345 -0.597 -1.224 -1.141 RESID 256 (G): 2.538 ----- -2.367 0.450 ----- -0.701 RESID 257 (E): 1.640 ----- 1.513 1.322 -0.678 -0.181 RESID 258 (S): -6.379 ----- -0.078 -0.777 2.915 -0.810 RESID 259 (L): -2.883 ----- -2.449 -0.875 3.925 0.965 RESID 260 (F): 0.637 ----- -1.832 1.482 1.101 1.150 RESID 261 (L): 3.772 ----- 0.503 0.826 -4.054 0.866 RESID 262 (F): 1.430 ----- -0.161 1.948 1.429 0.238 RESID 263 (A): -2.220 ----- -1.724 0.972 2.888 0.594 RESID 264 (G): -7.102 ----- -1.627 0.481 ----- -1.141 RESID 265 (D): -0.374 ----- 0.040 -1.108 0.572 0.938 RESID 266 (Q): -1.184 ----- 0.141 -0.439 -0.158 -0.327 RESID 267 (K): -1.080 ----- 2.316 -0.157 -0.346 -0.043 RESID 268 (D): 1.945 ----- -0.941 1.005 1.298 -0.472 RESID 269 (A): 0.235 ----- 0.581 0.718 -0.704 -0.247 RESID 270 (D): 0.279 ----- 2.783 1.256 -0.391 0.784 RESID 271 (A): 3.015 ----- 1.473 1.470 -1.021 0.532 RESID 272 (I): -120.457 ----- 1.353 -0.778 -2.417 -1.053 RESID 273 (Y): -0.670 ----- 0.231 2.789 1.933 0.218 RESID 274 (A): -3.213 ----- 0.016 -0.961 0.154 -0.333 RESID 275 (N): 1.647 ----- 1.687 -0.315 1.559 -0.755 RESID 276 (P): ----- ----- 0.402 -0.285 0.401 ----- RESID 277 (L): -0.705 ----- -0.926 -0.923 0.213 -0.150 RESID 278 (L): -1.483 ----- -1.272 -1.743 -0.331 -0.193 RESID 279 (A): -4.485 ----- -0.102 0.723 1.105 -1.250 RESID 280 (H): -3.682 ----- 0.296 -0.887 0.895 0.142 RESID 281 (L): 1.614 ----- 0.435 0.370 -1.464 -0.158 RESID 282 (P): ----- ----- -0.175 0.376 0.420 ----- RESID 283 (A): -3.245 ----- -0.836 0.436 1.307 -0.457 RESID 284 (V): -3.298 ----- 1.072 -0.247 1.740 -1.124 RESID 285 (Q): 0.753 ----- 0.348 0.702 0.471 0.772 RESID 286 (N): -1.389 ----- 0.650 0.450 -0.342 0.072 RESID 287 (K): 2.554 ----- -0.126 0.232 -0.977 0.031 RESID 288 (Q): 2.557 ----- -0.374 -1.860 -0.324 0.474 RESID 289 (V): 0.622 ----- 0.083 0.534 -1.203 -0.659 RESID 290 (Y): 1.353 ----- -0.378 0.297 -1.424 -0.411 RESID 291 (A): 4.888 ----- 1.589 1.162 -1.579 0.406 RESID 292 (L): 1.001 ----- -0.735 0.634 0.225 -0.577 RESID 293 (G): 3.651 ----- 3.519 0.674 ----- 0.589 RESID 294 (T): 1.067 ----- 0.389 0.058 -0.857 0.235 RESID 295 (E): 2.160 ----- 1.104 0.221 0.240 1.539 RESID 296 (T): -5.612 ----- -0.709 1.087 1.410 -0.852 RESID 297 (F): -1.578 ----- -1.357 0.664 -0.133 0.304 RESID 298 (R): -2.979 ----- 0.902 -1.594 1.370 -0.688 RESID 299 (L): -0.912 ----- 0.328 0.419 -2.420 0.476 RESID 300 (D): 0.269 ----- -2.236 -1.367 0.600 -1.041 RESID 301 (Y): -3.306 ----- -0.858 -1.647 0.043 -1.048 RESID 302 (Y): -3.156 ----- 3.171 1.040 -0.001 -0.810 RESID 303 (S): 3.377 ----- -0.206 -0.824 0.501 -0.009 RESID 304 (A): 1.431 ----- 1.049 1.097 0.111 1.019 RESID 305 (M): -1.376 ----- 0.421 -1.882 -1.038 -0.161 RESID 306 (Q): 0.492 ----- 0.165 0.530 -0.375 -0.139 RESID 308 (L): ----- ----- 0.212 0.263 0.405 ----- RESID 309 (D): 0.026 ----- 0.716 0.277 0.486 -0.045 RESID 310 (R): 1.100 ----- 0.166 -0.600 -0.334 0.865 RESID 311 (L): -0.716 ----- 0.075 0.271 0.496 0.155 RESID 312 (K): -2.239 ----- -0.406 0.072 -0.054 -0.248 RESID 313 (A): -1.328 ----- 1.372 0.628 -0.453 -0.313 RESID 314 (L): 0.338 ----- 0.945 -0.463 1.377 -0.693 DATA CS_STAT_INFO N RMS: 8.229 ppm Count: 256 Average Difference: 0.482 +/- 8.231 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.222 ppm Count: 281 Average Difference: -0.160 +/- 1.214 ppm DATA CS_STAT_INFO CA RMS: 1.342 ppm Count: 283 Average Difference: -0.094 +/- 1.341 ppm DATA CS_STAT_INFO CB RMS: 1.426 ppm Count: 260 Average Difference: -0.160 +/- 1.419 ppm DATA CS_STAT_INFO HN RMS: 0.715 ppm Count: 256 Average Difference: -0.015 +/- 0.716 ppm ############################################################################ For conformer 29: Atom Original Corrected SPARTA Difference RESID 25 (D): N 120.600 120.600 120.736 -0.136 RESID 25 (D): C 174.400 174.400 175.898 -1.498 RESID 25 (D): CA 55.230 55.230 53.009 2.221 RESID 25 (D): CB 41.340 41.340 41.901 -0.561 RESID 25 (D): H 8.275 8.275 8.201 0.074 RESID 26 (W): N 120.100 120.100 123.561 -3.461 RESID 26 (W): C 174.200 174.200 175.087 -0.887 RESID 26 (W): CA 55.330 55.330 55.040 0.290 RESID 26 (W): CB 31.090 31.090 27.892 3.198 RESID 26 (W): H 7.788 7.788 7.438 0.350 RESID 27 (P): C 175.900 175.900 175.908 -0.008 RESID 27 (P): CA 62.800 62.800 63.077 -0.277 RESID 27 (P): CB 37.260 37.260 32.328 4.932 RESID 28 (R): N 118.000 118.000 121.776 -3.776 RESID 28 (R): C 173.700 173.700 175.123 -1.423 RESID 28 (R): CA 55.160 55.160 54.424 0.736 RESID 28 (R): CB 33.430 33.430 32.662 0.768 RESID 28 (R): H 8.686 8.686 8.602 0.084 RESID 29 (Q): N 120.800 120.800 121.605 -0.805 RESID 29 (Q): C 175.500 175.500 174.935 0.565 RESID 29 (Q): CA 54.780 54.780 56.078 -1.298 RESID 29 (Q): CB 30.700 30.700 29.260 1.440 RESID 29 (Q): H 8.506 8.506 8.599 -0.093 RESID 30 (I): N 124.300 124.300 126.045 -1.745 RESID 30 (I): C 175.700 175.700 175.072 0.628 RESID 30 (I): CA 58.520 58.520 59.407 -0.887 RESID 30 (I): CB 40.680 40.680 41.220 -0.540 RESID 30 (I): H 9.002 9.002 7.958 1.044 RESID 31 (T): N 125.200 125.200 121.941 3.259 RESID 31 (T): C 174.400 174.400 173.691 0.709 RESID 31 (T): CA 62.150 62.150 63.475 -1.325 RESID 31 (T): CB 70.640 70.640 69.590 1.050 RESID 31 (T): H 8.989 8.989 8.404 0.585 RESID 32 (D): N 129.500 129.500 123.763 5.737 RESID 32 (D): C 177.400 177.400 175.976 1.424 RESID 32 (D): CA 52.630 52.630 51.903 0.727 RESID 32 (D): CB 42.950 42.950 43.572 -0.622 RESID 32 (D): H 9.389 9.389 7.955 1.434 RESID 33 (S): N 111.900 111.900 116.356 -4.456 RESID 33 (S): C 175.600 175.600 176.015 -0.415 RESID 33 (S): CA 60.920 60.920 60.570 0.350 RESID 33 (S): CB 63.430 63.430 63.877 -0.447 RESID 33 (S): H 8.075 8.075 8.279 -0.204 RESID 34 (R): N 120.600 120.600 123.152 -2.552 RESID 34 (R): C 176.100 176.100 176.929 -0.829 RESID 34 (R): CA 55.020 55.020 58.550 -3.530 RESID 34 (R): CB 30.850 30.850 30.715 0.135 RESID 34 (R): H 8.433 8.433 7.841 0.592 RESID 35 (G): N 108.900 108.900 103.739 5.161 RESID 35 (G): C 171.200 171.200 173.494 -2.294 RESID 35 (G): CA 45.060 45.060 45.567 -0.507 RESID 35 (G): H 7.837 7.837 8.615 -0.778 RESID 36 (T): N 116.300 116.300 115.858 0.442 RESID 36 (T): C 173.800 173.800 172.832 0.968 RESID 36 (T): CA 62.670 62.670 62.606 0.063 RESID 36 (T): CB 70.000 70.000 70.186 -0.187 RESID 36 (T): H 8.192 8.192 7.652 0.540 RESID 37 (H): N 125.800 125.800 125.333 0.467 RESID 37 (H): C 174.000 174.000 173.273 0.727 RESID 37 (H): CA 54.060 54.060 55.400 -1.339 RESID 37 (H): CB 31.020 31.020 33.072 -2.052 RESID 37 (H): H 8.986 8.986 8.628 0.358 RESID 38 (T): N 121.500 121.500 117.715 3.785 RESID 38 (T): C 174.200 174.200 172.931 1.269 RESID 38 (T): CA 63.190 63.190 61.147 2.043 RESID 38 (T): CB 70.080 70.080 71.328 -1.248 RESID 38 (T): H 9.101 9.101 7.690 1.411 RESID 39 (L): N 129.600 129.600 122.461 7.139 RESID 39 (L): C 176.900 176.900 176.865 0.035 RESID 39 (L): CA 53.990 53.990 53.480 0.510 RESID 39 (L): CB 43.160 43.160 44.111 -0.951 RESID 39 (L): H 9.145 9.145 8.730 0.415 RESID 40 (E): N 124.300 124.300 125.901 -1.601 RESID 40 (E): C 175.600 175.600 175.925 -0.325 RESID 40 (E): CA 59.420 59.420 59.148 0.272 RESID 40 (E): CB 30.710 30.710 30.219 0.491 RESID 40 (E): H 9.164 9.164 9.044 0.120 RESID 41 (S): N 108.300 108.300 110.053 -1.753 RESID 41 (S): C 171.700 171.700 173.167 -1.467 RESID 41 (S): CA 56.270 56.270 57.165 -0.895 RESID 41 (S): CB 65.420 65.420 64.843 0.577 RESID 41 (S): H 7.326 7.326 7.485 -0.159 RESID 42 (Q): N 123.900 123.900 120.611 3.289 RESID 42 (Q): C 174.600 174.600 174.744 -0.144 RESID 42 (Q): CA 53.730 53.730 55.782 -2.052 RESID 42 (Q): CB 28.470 28.470 27.897 0.573 RESID 42 (Q): H 7.339 7.339 8.608 -1.269 RESID 43 (P): C 176.300 176.300 176.519 -0.219 RESID 43 (P): CA 64.080 64.080 63.403 0.677 RESID 43 (P): CB 32.510 32.510 32.416 0.094 RESID 44 (Q): N 125.100 125.100 122.544 2.556 RESID 44 (Q): C 175.400 175.400 176.052 -0.652 RESID 44 (Q): CA 55.780 55.780 57.255 -1.474 RESID 44 (Q): CB 32.660 32.660 29.817 2.843 RESID 44 (Q): H 11.160 11.160 8.578 2.582 RESID 45 (R): N 125.700 125.700 117.522 8.178 RESID 45 (R): C 174.600 174.600 174.089 0.511 RESID 45 (R): CA 55.310 55.310 55.239 0.071 RESID 45 (R): CB 33.070 33.070 33.127 -0.057 RESID 45 (R): H 10.010 10.010 7.562 2.448 RESID 47 (V): C 174.700 174.700 174.340 0.360 RESID 47 (V): CA 60.970 60.970 61.241 -0.271 RESID 47 (V): CB 34.140 34.140 34.416 -0.276 RESID 48 (S): N 118.300 118.300 120.278 -1.978 RESID 48 (S): C 175.500 175.500 173.588 1.912 RESID 48 (S): CA 55.700 55.700 57.577 -1.877 RESID 48 (S): CB 64.750 64.750 65.853 -1.103 RESID 48 (S): H 7.852 7.852 8.497 -0.645 RESID 49 (T): N 116.800 116.800 112.462 4.338 RESID 49 (T): C 171.500 171.500 174.313 -2.813 RESID 49 (T): CA 62.400 62.400 61.558 0.842 RESID 49 (T): CB 69.320 69.320 69.668 -0.348 RESID 49 (T): H 8.283 8.283 8.624 -0.341 RESID 50 (S): N 116.200 116.200 117.079 -0.879 RESID 50 (S): C 174.600 174.600 175.112 -0.512 RESID 50 (S): CA 54.640 54.640 57.554 -2.914 RESID 50 (S): CB 64.000 64.000 64.074 -0.074 RESID 50 (S): H 7.627 7.627 7.753 -0.126 RESID 51 (V): N 134.300 134.300 128.874 5.426 RESID 51 (V): C 175.100 175.100 177.943 -2.843 RESID 51 (V): CA 65.620 65.620 65.975 -0.355 RESID 51 (V): CB 31.790 31.790 32.026 -0.235 RESID 51 (V): H 9.218 9.218 9.008 0.210 RESID 52 (T): N 117.000 117.000 116.153 0.847 RESID 52 (T): C 179.700 179.700 176.324 3.376 RESID 52 (T): CA 67.390 67.390 66.915 0.475 RESID 52 (T): CB 69.130 69.130 68.639 0.491 RESID 52 (T): H 7.841 7.841 8.025 -0.184 RESID 53 (L): N 123.400 123.400 121.942 1.458 RESID 53 (L): C 178.700 178.700 178.173 0.527 RESID 53 (L): CA 57.460 57.460 58.209 -0.749 RESID 53 (L): CB 42.610 42.610 41.764 0.846 RESID 53 (L): H 8.092 8.092 8.575 -0.483 RESID 54 (T): N 117.500 117.500 115.735 1.765 RESID 54 (T): C 174.900 174.900 176.637 -1.737 RESID 54 (T): CA 67.070 67.070 67.741 -0.671 RESID 54 (T): H 8.039 8.039 8.139 -0.100 RESID 55 (G): N 105.500 105.500 109.465 -3.965 RESID 55 (G): C 175.600 175.600 176.059 -0.459 RESID 55 (G): CA 47.260 47.260 47.024 0.236 RESID 55 (G): H 6.591 6.591 7.899 -1.308 RESID 56 (S): N 117.000 117.000 118.016 -1.016 RESID 56 (S): C 175.600 175.600 176.853 -1.253 RESID 56 (S): CA 63.400 63.400 61.587 1.813 RESID 56 (S): CB 65.060 65.060 62.869 2.191 RESID 56 (S): H 6.709 6.709 7.966 -1.257 RESID 58 (L): C 181.200 181.200 179.404 1.796 RESID 58 (L): CA 57.480 57.480 57.758 -0.279 RESID 58 (L): CB 40.810 40.810 40.922 -0.112 RESID 59 (A): N 122.100 122.100 122.821 -0.721 RESID 59 (A): C 178.500 178.500 178.793 -0.293 RESID 59 (A): CA 55.540 55.540 54.788 0.752 RESID 59 (A): CB 18.440 18.440 18.737 -0.297 RESID 59 (A): H 7.797 7.797 8.099 -0.302 RESID 60 (I): C 172.700 172.700 174.234 -1.534 RESID 60 (I): CA 60.390 60.390 60.236 0.154 RESID 60 (I): CB 37.930 37.930 37.460 0.470 RESID 61 (D): N 116.200 116.200 118.558 -2.358 RESID 61 (D): C 174.800 174.800 174.557 0.243 RESID 61 (D): CA 55.850 55.850 55.795 0.055 RESID 61 (D): CB 38.930 38.930 38.945 -0.015 RESID 61 (D): H 7.736 7.736 7.734 0.002 RESID 62 (A): N 118.900 118.900 121.962 -3.062 RESID 62 (A): C 176.800 176.800 174.110 2.690 RESID 62 (A): CA 50.040 50.040 50.875 -0.835 RESID 62 (A): CB 17.940 17.940 19.579 -1.639 RESID 62 (A): H 7.820 7.820 7.723 0.097 RESID 63 (P): C 173.600 173.600 175.707 -2.107 RESID 63 (P): CA 63.250 63.250 62.640 0.610 RESID 63 (P): CB 27.640 27.640 32.340 -4.700 RESID 64 (V): N 123.100 123.100 119.263 3.837 RESID 64 (V): C 174.800 174.800 175.711 -0.911 RESID 64 (V): CA 58.420 58.420 59.867 -1.447 RESID 64 (V): CB 33.300 33.300 34.091 -0.791 RESID 64 (V): H 8.299 8.299 7.863 0.436 RESID 65 (I): N 122.000 122.000 126.229 -4.229 RESID 65 (I): C 177.100 177.100 176.016 1.084 RESID 65 (I): CA 61.010 61.010 63.995 -2.985 RESID 65 (I): CB 39.480 39.480 38.155 1.325 RESID 65 (I): H 8.589 8.589 8.370 0.219 RESID 66 (A): N 120.700 120.700 117.427 3.273 RESID 66 (A): C 175.100 175.100 175.118 -0.018 RESID 66 (A): CA 51.300 51.300 50.708 0.592 RESID 66 (A): CB 22.980 22.980 21.551 1.429 RESID 66 (A): H 7.246 7.246 7.686 -0.440 RESID 67 (S): N 111.700 111.700 116.739 -5.039 RESID 67 (S): C 176.500 176.500 174.260 2.240 RESID 67 (S): CA 55.230 55.230 57.309 -2.079 RESID 67 (S): CB 65.300 65.300 67.733 -2.433 RESID 67 (S): H 8.561 8.561 8.311 0.250 RESID 68 (G): N 112.900 112.900 107.237 5.663 RESID 68 (G): C 171.000 171.000 172.607 -1.607 RESID 68 (G): CA 46.580 46.580 44.491 2.089 RESID 68 (G): H 7.604 7.604 8.721 -1.117 RESID 69 (A): N 122.300 122.300 125.988 -3.688 RESID 69 (A): C 177.900 177.900 175.230 2.670 RESID 69 (A): CA 51.280 51.280 52.458 -1.178 RESID 69 (A): CB 23.440 23.440 21.360 2.080 RESID 69 (A): H 7.402 7.402 8.221 -0.819 RESID 70 (T): N 119.600 119.600 114.164 5.436 RESID 70 (T): C 171.400 171.400 174.109 -2.709 RESID 70 (T): CA 58.150 58.150 61.289 -3.139 RESID 70 (T): CB 70.880 70.880 69.838 1.042 RESID 70 (T): H 9.171 9.171 8.153 1.018 RESID 71 (T): N 116.500 116.500 121.688 -5.188 RESID 71 (T): C 172.500 172.500 172.906 -0.406 RESID 71 (T): CA 61.680 61.680 61.630 0.050 RESID 71 (T): CB 70.490 70.490 68.921 1.569 RESID 71 (T): H 7.663 7.663 8.465 -0.802 RESID 72 (P): C 177.100 177.100 176.135 0.965 RESID 72 (P): CA 63.390 63.390 63.593 -0.203 RESID 72 (P): CB 32.940 32.940 32.213 0.727 RESID 73 (N): N 115.200 115.200 119.803 -4.603 RESID 73 (N): C 174.600 174.600 176.228 -1.628 RESID 73 (N): CA 54.570 54.570 53.830 0.740 RESID 73 (N): CB 37.020 37.020 38.481 -1.461 RESID 73 (N): H 7.990 7.990 8.697 -0.707 RESID 74 (N): C 175.800 175.800 176.967 -1.167 RESID 74 (N): CA 60.660 60.660 55.656 5.004 RESID 74 (N): CB 38.070 38.070 37.720 0.350 RESID 75 (R): N 114.600 114.600 120.930 -6.330 RESID 75 (R): C 177.400 177.400 177.562 -0.162 RESID 75 (R): CA 59.940 59.940 58.858 1.082 RESID 75 (R): CB 31.110 31.110 30.053 1.057 RESID 75 (R): H 8.049 8.049 8.334 -0.285 RESID 76 (V): N 107.100 107.100 117.392 -10.292 RESID 76 (V): C 176.000 176.000 175.950 0.050 RESID 76 (V): CA 61.110 61.110 64.059 -2.949 RESID 76 (V): CB 33.590 33.590 31.557 2.033 RESID 76 (V): H 7.356 7.356 8.189 -0.833 RESID 77 (A): N 126.900 126.900 121.003 5.897 RESID 77 (A): C 176.500 176.500 177.580 -1.080 RESID 77 (A): CA 51.390 51.390 52.427 -1.037 RESID 77 (A): CB 24.260 24.260 19.147 5.113 RESID 77 (A): H 7.873 7.873 7.159 0.714 RESID 78 (D): N 118.700 118.700 116.953 1.747 RESID 78 (D): C 178.100 178.100 175.894 2.206 RESID 78 (D): CA 51.970 51.970 52.912 -0.942 RESID 78 (D): CB 41.360 41.360 40.996 0.364 RESID 78 (D): H 8.607 8.607 8.179 0.428 RESID 79 (D): N 116.600 116.600 115.748 0.852 RESID 79 (D): C 176.400 176.400 176.116 0.284 RESID 79 (D): CA 56.030 56.030 54.947 1.083 RESID 79 (D): CB 40.100 40.100 39.219 0.881 RESID 79 (D): H 8.258 8.258 8.408 -0.150 RESID 80 (Q): N 117.200 117.200 121.570 -4.370 RESID 80 (Q): C 175.700 175.700 176.882 -1.182 RESID 80 (Q): CA 54.970 54.970 56.486 -1.516 RESID 80 (Q): CB 30.840 30.840 28.430 2.410 RESID 80 (Q): H 8.160 8.160 8.341 -0.181 RESID 81 (G): N 105.300 105.300 105.303 -0.003 RESID 81 (G): C 174.200 174.200 173.345 0.855 RESID 81 (G): CA 45.740 45.740 44.792 0.948 RESID 81 (G): H 7.419 7.419 8.064 -0.645 RESID 82 (F): N 121.700 121.700 121.095 0.605 RESID 82 (F): C 175.300 175.300 175.735 -0.435 RESID 82 (F): CA 52.530 52.530 56.778 -4.247 RESID 82 (F): CB 37.430 37.430 40.040 -2.610 RESID 82 (F): H 8.154 8.154 7.848 0.306 RESID 83 (L): C 178.400 178.400 177.435 0.965 RESID 83 (L): CA 55.550 55.550 55.187 0.363 RESID 83 (L): CB 38.480 38.480 41.950 -3.470 RESID 84 (R): N 119.000 119.000 118.696 0.304 RESID 84 (R): C 178.300 178.300 177.536 0.764 RESID 84 (R): CA 60.690 60.690 57.230 3.459 RESID 84 (R): CB 31.530 31.530 29.885 1.645 RESID 84 (R): H 7.746 7.746 8.433 -0.687 RESID 85 (Q): N 116.400 116.400 119.018 -2.618 RESID 85 (Q): C 174.700 174.700 177.392 -2.692 RESID 85 (Q): CA 58.200 58.200 57.996 0.204 RESID 85 (Q): CB 26.140 26.140 29.296 -3.156 RESID 85 (Q): H 9.838 9.838 7.966 1.872 RESID 86 (W): N 115.600 115.600 121.979 -6.379 RESID 86 (W): C 175.900 175.900 177.762 -1.862 RESID 86 (W): CA 55.320 55.320 60.456 -5.136 RESID 86 (W): CB 27.470 27.470 29.613 -2.143 RESID 86 (W): H 6.600 6.600 8.559 -1.959 RESID 87 (S): N 118.500 118.500 114.564 3.936 RESID 87 (S): C 177.300 177.300 175.850 1.450 RESID 87 (S): CA 62.340 62.340 61.831 0.509 RESID 87 (S): H 7.067 7.067 8.348 -1.281 RESID 88 (K): N 118.300 118.300 122.233 -3.933 RESID 88 (K): C 179.000 179.000 178.829 0.171 RESID 88 (K): CA 59.970 59.970 59.507 0.463 RESID 88 (K): CB 32.380 32.380 32.471 -0.091 RESID 88 (K): H 8.615 8.615 7.652 0.963 RESID 89 (V): N 120.600 120.600 114.272 6.328 RESID 89 (V): C 178.100 178.100 177.314 0.786 RESID 89 (V): CA 65.530 65.530 65.444 0.086 RESID 89 (V): CB 32.180 32.180 31.668 0.512 RESID 89 (V): H 7.089 7.089 7.750 -0.661 RESID 90 (A): N 120.700 120.700 121.149 -0.449 RESID 90 (A): C 180.000 180.000 178.949 1.051 RESID 90 (A): CA 55.490 55.490 54.167 1.323 RESID 90 (A): CB 19.130 19.130 17.811 1.319 RESID 90 (A): H 7.979 7.979 7.331 0.648 RESID 91 (K): N 117.600 117.600 118.049 -0.449 RESID 91 (K): C 180.900 180.900 177.891 3.009 RESID 91 (K): CA 59.830 59.830 58.846 0.984 RESID 91 (K): CB 32.700 32.700 32.711 -0.011 RESID 91 (K): H 7.844 7.844 8.127 -0.283 RESID 92 (E): N 122.300 122.300 117.245 5.055 RESID 92 (E): C 178.600 178.600 177.108 1.492 RESID 92 (E): CA 59.590 59.590 57.314 2.276 RESID 92 (E): CB 29.740 29.740 30.410 -0.670 RESID 92 (E): H 8.178 8.178 7.708 0.470 RESID 93 (R): N 115.300 115.300 118.426 -3.126 RESID 93 (R): C 175.000 175.000 174.661 0.339 RESID 93 (R): CA 56.320 56.320 55.526 0.794 RESID 93 (R): CB 29.390 29.390 30.916 -1.526 RESID 93 (R): H 7.776 7.776 8.056 -0.280 RESID 94 (K): N 116.800 116.800 115.838 0.962 RESID 94 (K): C 176.400 176.400 175.828 0.572 RESID 94 (K): CA 56.950 56.950 57.577 -0.626 RESID 94 (K): CB 28.870 28.870 30.333 -1.463 RESID 94 (K): H 7.697 7.697 8.360 -0.663 RESID 95 (L): N 120.600 120.600 122.398 -1.798 RESID 95 (L): C 177.200 177.200 176.830 0.370 RESID 95 (L): CA 56.710 56.710 55.801 0.909 RESID 95 (L): CB 43.480 43.480 42.298 1.182 RESID 95 (L): H 7.708 7.708 7.647 0.061 RESID 96 (Q): N 124.900 124.900 124.242 0.658 RESID 96 (Q): C 175.000 175.000 176.204 -1.204 RESID 96 (Q): CA 55.570 55.570 54.888 0.682 RESID 96 (Q): CB 30.080 30.080 29.802 0.278 RESID 96 (Q): H 7.526 7.526 8.397 -0.871 RESID 97 (R): N 126.000 126.000 119.534 6.466 RESID 97 (R): C 176.800 176.800 176.227 0.573 RESID 97 (R): CA 55.610 55.610 56.653 -1.042 RESID 97 (R): CB 31.840 31.840 30.223 1.617 RESID 97 (R): H 9.039 9.039 8.539 0.500 RESID 98 (L): N 126.500 126.500 122.998 3.502 RESID 98 (L): C 175.400 175.400 175.818 -0.418 RESID 98 (L): CA 56.610 56.610 54.174 2.436 RESID 98 (L): CB 47.140 47.140 43.815 3.325 RESID 98 (L): H 8.247 8.247 8.716 -0.469 RESID 99 (Y): N 110.000 110.000 112.206 -2.206 RESID 99 (Y): C 173.200 173.200 174.595 -1.395 RESID 99 (Y): CA 55.320 55.320 56.097 -0.777 RESID 99 (Y): CB 38.350 38.350 39.387 -1.037 RESID 99 (Y): H 6.465 6.465 7.825 -1.360 RESID 100 (I): N 120.000 120.000 126.235 -6.235 RESID 100 (I): C 176.800 176.800 177.134 -0.334 RESID 100 (I): CA 61.290 61.290 63.076 -1.786 RESID 100 (I): CB 39.980 39.980 36.392 3.588 RESID 100 (I): H 8.725 8.725 8.610 0.115 RESID 101 (G): N 114.800 114.800 113.932 0.868 RESID 101 (G): C 173.400 173.400 174.088 -0.688 RESID 101 (G): CA 47.030 47.030 44.818 2.212 RESID 101 (G): H 8.224 8.224 8.484 -0.260 RESID 102 (E): N 129.600 129.600 118.696 10.904 RESID 102 (E): C 173.700 173.700 174.480 -0.780 RESID 102 (E): CA 54.480 54.480 54.003 0.477 RESID 102 (E): CB 29.790 29.790 27.761 2.029 RESID 102 (E): H 8.294 8.294 8.007 0.287 RESID 103 (P): C 175.400 175.400 176.237 -0.837 RESID 103 (P): CA 62.040 62.040 63.422 -1.382 RESID 103 (P): CB 32.570 32.570 32.659 -0.089 RESID 104 (S): N 111.900 111.900 117.150 -5.250 RESID 104 (S): C 174.800 174.800 174.627 0.173 RESID 104 (S): CA 55.340 55.340 58.514 -3.174 RESID 104 (S): CB 64.330 64.330 64.421 -0.091 RESID 104 (S): H 5.412 5.412 7.975 -2.563 RESID 105 (A): N 130.200 130.200 129.940 0.260 RESID 105 (A): C 179.400 179.400 179.044 0.356 RESID 105 (A): CA 55.070 55.070 54.315 0.755 RESID 105 (A): CB 18.210 18.210 19.110 -0.900 RESID 105 (A): H 9.211 9.211 8.883 0.328 RESID 106 (E): N 119.800 119.800 119.462 0.338 RESID 106 (E): C 179.300 179.300 178.864 0.436 RESID 106 (E): CA 60.270 60.270 59.036 1.234 RESID 106 (E): CB 28.990 28.990 29.463 -0.473 RESID 106 (E): H 8.731 8.731 8.589 0.142 RESID 107 (A): N 121.600 121.600 122.056 -0.456 RESID 107 (A): C 180.100 180.100 179.832 0.268 RESID 107 (A): CA 54.650 54.650 54.989 -0.339 RESID 107 (A): CB 19.220 19.220 18.454 0.766 RESID 107 (A): H 7.682 7.682 7.829 -0.147 RESID 108 (V): N 116.600 116.600 118.884 -2.284 RESID 108 (V): C 177.700 177.700 178.509 -0.809 RESID 108 (V): CA 66.920 66.920 65.764 1.156 RESID 108 (V): CB 31.430 31.430 31.330 0.100 RESID 108 (V): H 7.015 7.015 7.486 -0.471 RESID 109 (A): N 121.400 121.400 123.049 -1.649 RESID 109 (A): C 181.100 181.100 179.251 1.849 RESID 109 (A): CA 55.540 55.540 55.002 0.539 RESID 109 (A): CB 17.900 17.900 18.006 -0.106 RESID 109 (A): H 8.262 8.262 8.142 0.120 RESID 110 (A): N 118.800 118.800 119.537 -0.737 RESID 110 (A): C 178.900 178.900 178.637 0.263 RESID 110 (A): CA 54.300 54.300 54.551 -0.251 RESID 110 (A): CB 18.460 18.460 18.488 -0.028 RESID 110 (A): H 7.607 7.607 7.922 -0.315 RESID 111 (Q): N 113.500 113.500 114.547 -1.047 RESID 111 (Q): C 174.900 174.900 175.937 -1.037 RESID 111 (Q): CA 55.160 55.160 54.234 0.926 RESID 111 (Q): CB 28.450 28.450 28.686 -0.236 RESID 111 (Q): H 7.148 7.148 7.440 -0.292 RESID 112 (M): N 114.700 114.700 120.897 -6.197 RESID 112 (M): C 173.300 173.300 173.242 0.058 RESID 112 (M): CA 55.900 55.900 55.550 0.351 RESID 112 (M): CB 30.300 30.300 31.751 -1.451 RESID 112 (M): H 7.882 7.882 7.966 -0.084 RESID 113 (P): C 176.700 176.700 176.249 0.451 RESID 113 (P): CA 62.820 62.820 62.617 0.202 RESID 113 (P): CB 33.340 33.340 33.000 0.340 RESID 114 (D): N 115.800 115.800 117.941 -2.141 RESID 114 (D): C 175.900 175.900 175.915 -0.015 RESID 114 (D): CA 53.150 53.150 55.141 -1.991 RESID 114 (D): CB 40.990 40.990 43.060 -2.070 RESID 114 (D): H 8.850 8.850 8.238 0.612 RESID 115 (L): C 174.900 174.900 174.303 0.597 RESID 115 (L): CA 52.800 52.800 54.121 -1.321 RESID 116 (I): N 123.500 123.500 126.209 -2.709 RESID 116 (I): CA 60.270 60.270 60.082 0.188 RESID 116 (I): H 9.340 9.340 8.029 1.311 RESID 118 (I): C 174.400 174.400 175.440 -1.040 RESID 118 (I): CA 60.250 60.250 59.790 0.460 RESID 118 (I): CB 42.610 42.610 41.452 1.158 RESID 119 (S): N 121.600 121.600 121.604 -0.004 RESID 119 (S): C 175.700 175.700 175.154 0.546 RESID 119 (S): CA 57.150 57.150 57.689 -0.539 RESID 119 (S): CB 65.280 65.280 64.594 0.686 RESID 119 (S): H 9.575 9.575 8.554 1.021 RESID 120 (A): N 126.000 126.000 124.429 1.571 RESID 120 (A): C 176.900 176.900 177.432 -0.532 RESID 120 (A): CA 54.300 54.300 54.344 -0.044 RESID 120 (A): CB 20.530 20.530 18.973 1.557 RESID 120 (A): H 8.143 8.143 8.712 -0.569 RESID 121 (T): N 106.400 106.400 110.434 -4.034 RESID 121 (T): C 173.000 173.000 173.146 -0.146 RESID 121 (T): CA 59.450 59.450 61.888 -2.438 RESID 121 (T): CB 72.310 72.310 70.707 1.603 RESID 121 (T): H 7.617 7.617 7.845 -0.228 RESID 122 (G): N 104.200 104.200 110.801 -6.601 RESID 122 (G): C 177.200 177.200 174.140 3.060 RESID 122 (G): CA 44.430 44.430 45.177 -0.747 RESID 122 (G): H 7.998 7.998 7.845 0.153 RESID 123 (G): C 174.100 174.100 174.320 -0.220 RESID 123 (G): CA 46.710 46.710 45.677 1.033 RESID 124 (D): N 116.900 116.900 119.143 -2.243 RESID 124 (D): C 176.900 176.900 175.734 1.166 RESID 124 (D): CA 52.320 52.320 52.910 -0.590 RESID 124 (D): CB 40.690 40.690 40.620 0.070 RESID 124 (D): H 8.617 8.617 7.724 0.893 RESID 125 (S): N 115.100 115.100 119.130 -4.030 RESID 125 (S): C 176.900 176.900 175.180 1.720 RESID 125 (S): CA 58.750 58.750 58.652 0.098 RESID 125 (S): CB 64.190 64.190 64.082 0.108 RESID 125 (S): H 7.322 7.322 8.434 -1.112 RESID 126 (A): N 134.900 134.900 130.062 4.838 RESID 126 (A): C 176.700 176.700 178.664 -1.964 RESID 126 (A): CA 51.150 51.150 53.522 -2.372 RESID 126 (A): CB 16.850 16.850 19.083 -2.233 RESID 126 (A): H 8.837 8.837 8.611 0.226 RESID 127 (L): N 121.000 121.000 121.028 -0.028 RESID 127 (L): C 178.900 178.900 178.353 0.547 RESID 127 (L): CA 58.730 58.730 57.260 1.470 RESID 127 (L): CB 42.840 42.840 41.612 1.228 RESID 127 (L): H 7.353 7.353 8.149 -0.796 RESID 128 (A): N 121.600 121.600 118.160 3.440 RESID 128 (A): C 178.900 178.900 178.121 0.779 RESID 128 (A): CA 55.010 55.010 54.179 0.831 RESID 128 (A): CB 18.200 18.200 18.699 -0.499 RESID 128 (A): H 8.918 8.918 7.629 1.289 RESID 129 (L): N 116.800 116.800 116.107 0.693 RESID 129 (L): C 177.000 177.000 177.866 -0.866 RESID 129 (L): CA 53.930 53.930 55.211 -1.281 RESID 129 (L): CB 42.710 42.710 43.126 -0.416 RESID 129 (L): H 7.776 7.776 7.425 0.351 RESID 130 (Y): N 122.000 122.000 122.831 -0.831 RESID 130 (Y): C 177.100 177.100 176.710 0.390 RESID 130 (Y): CA 64.420 64.420 62.998 1.422 RESID 130 (Y): CB 39.470 39.470 38.414 1.056 RESID 130 (Y): H 7.891 7.891 8.987 -1.096 RESID 131 (D): N 119.000 119.000 117.785 1.215 RESID 131 (D): C 178.300 178.300 178.426 -0.126 RESID 131 (D): CA 58.040 58.040 57.453 0.587 RESID 131 (D): CB 39.660 39.660 39.365 0.295 RESID 131 (D): H 9.014 9.014 8.101 0.913 RESID 132 (Q): N 118.900 118.900 119.942 -1.042 RESID 132 (Q): C 179.100 179.100 178.898 0.202 RESID 132 (Q): CA 58.930 58.930 58.595 0.335 RESID 132 (Q): CB 29.320 29.320 28.762 0.558 RESID 132 (Q): H 7.814 7.814 7.996 -0.182 RESID 133 (L): N 119.700 119.700 120.147 -0.447 RESID 133 (L): C 177.900 177.900 178.595 -0.695 RESID 133 (L): CA 57.910 57.910 57.647 0.263 RESID 133 (L): CB 40.980 40.980 41.800 -0.820 RESID 133 (L): H 8.450 8.450 8.812 -0.362 RESID 134 (S): N 111.800 111.800 114.907 -3.107 RESID 134 (S): C 175.500 175.500 175.871 -0.371 RESID 134 (S): CA 61.160 61.160 60.972 0.188 RESID 134 (S): CB 63.450 63.450 62.707 0.743 RESID 134 (S): H 8.128 8.128 8.474 -0.346 RESID 135 (T): N 111.100 111.100 115.973 -4.873 RESID 135 (T): C 175.300 175.300 176.604 -1.304 RESID 135 (T): CA 63.230 63.230 65.299 -2.069 RESID 135 (T): CB 69.670 69.670 69.013 0.657 RESID 135 (T): H 6.953 6.953 7.560 -0.607 RESID 136 (I): N 124.400 124.400 120.495 3.905 RESID 136 (I): C 175.800 175.800 175.560 0.240 RESID 136 (I): CA 63.940 63.940 64.043 -0.103 RESID 136 (I): CB 38.870 38.870 38.572 0.298 RESID 136 (I): H 7.694 7.694 7.355 0.339 RESID 137 (A): N 120.500 120.500 118.627 1.873 RESID 137 (A): C 172.300 172.300 173.991 -1.691 RESID 137 (A): CA 50.470 50.470 50.566 -0.096 RESID 137 (A): CB 19.320 19.320 19.508 -0.188 RESID 137 (A): H 7.540 7.540 7.979 -0.439 RESID 138 (P): C 174.700 174.700 176.199 -1.499 RESID 138 (P): CA 64.700 64.700 63.619 1.081 RESID 138 (P): CB 31.610 31.610 31.516 0.094 RESID 139 (T): N 122.000 122.000 119.819 2.181 RESID 139 (T): C 173.900 173.900 173.945 -0.045 RESID 139 (T): CA 61.630 61.630 63.197 -1.567 RESID 139 (T): CB 71.540 71.540 69.711 1.829 RESID 139 (T): H 7.990 7.990 8.163 -0.173 RESID 140 (L): C 174.900 174.900 174.422 0.478 RESID 140 (L): CA 52.740 52.740 53.417 -0.677 RESID 140 (L): CB 46.680 46.680 46.280 0.400 RESID 141 (I): N 123.500 123.500 125.442 -1.942 RESID 141 (I): C 175.700 175.700 174.790 0.910 RESID 141 (I): CA 60.250 60.250 61.070 -0.820 RESID 141 (I): CB 39.590 39.590 38.748 0.842 RESID 141 (I): H 9.345 9.345 7.951 1.394 RESID 142 (I): N 129.000 129.000 126.763 2.237 RESID 142 (I): C 174.400 174.400 173.971 0.429 RESID 142 (I): CA 57.930 57.930 59.877 -1.947 RESID 142 (I): CB 39.690 39.690 42.267 -2.577 RESID 142 (I): H 9.030 9.030 9.015 0.015 RESID 143 (N): N 129.100 129.100 124.072 5.028 RESID 143 (N): C 174.700 174.700 174.271 0.429 RESID 143 (N): CA 51.390 51.390 53.441 -2.051 RESID 143 (N): CB 39.720 39.720 39.540 0.180 RESID 143 (N): H 9.388 9.388 8.702 0.686 RESID 144 (Y): N 119.900 119.900 125.960 -6.060 RESID 144 (Y): C 176.500 176.500 174.738 1.762 RESID 144 (Y): CA 55.820 55.820 59.453 -3.633 RESID 144 (Y): CB 39.120 39.120 39.337 -0.217 RESID 144 (Y): H 8.491 8.491 8.254 0.237 RESID 145 (D): N 125.200 125.200 124.405 0.795 RESID 145 (D): C 176.800 176.800 175.013 1.787 RESID 145 (D): CA 55.220 55.220 55.428 -0.208 RESID 145 (D): CB 43.120 43.120 39.789 3.331 RESID 145 (D): H 8.800 8.800 8.356 0.444 RESID 146 (D): N 119.100 119.100 115.104 3.996 RESID 146 (D): C 175.200 175.200 175.173 0.027 RESID 146 (D): CA 53.230 53.230 53.604 -0.374 RESID 146 (D): CB 40.760 40.760 42.504 -1.744 RESID 146 (D): H 7.571 7.571 8.624 -1.053 RESID 147 (K): N 114.100 114.100 119.874 -5.774 RESID 147 (K): C 175.000 175.000 175.278 -0.278 RESID 147 (K): CA 54.070 54.070 55.624 -1.554 RESID 147 (K): CB 33.340 33.340 35.056 -1.716 RESID 147 (K): H 7.018 7.018 7.573 -0.555 RESID 148 (S): N 118.300 118.300 118.782 -0.482 RESID 148 (S): C 175.700 175.700 176.068 -0.368 RESID 148 (S): CA 57.120 57.120 57.159 -0.039 RESID 148 (S): CB 64.970 64.970 64.264 0.706 RESID 148 (S): H 8.709 8.709 8.475 0.234 RESID 149 (W): N 121.700 121.700 119.903 1.797 RESID 149 (W): C 179.300 179.300 177.235 2.065 RESID 149 (W): CA 59.890 59.890 58.539 1.351 RESID 149 (W): CB 27.660 27.660 28.390 -0.730 RESID 149 (W): H 8.779 8.779 8.892 -0.113 RESID 150 (Q): N 124.600 124.600 121.458 3.142 RESID 150 (Q): C 178.100 178.100 177.802 0.298 RESID 150 (Q): CA 61.660 61.660 58.276 3.385 RESID 150 (Q): CB 26.550 26.550 27.773 -1.223 RESID 150 (Q): H 8.369 8.369 6.762 1.607 RESID 151 (S): N 117.500 117.500 116.387 1.113 RESID 151 (S): C 177.500 177.500 176.905 0.595 RESID 151 (S): CA 61.760 61.760 61.249 0.511 RESID 151 (S): CB 63.360 63.360 62.795 0.565 RESID 151 (S): H 7.769 7.769 7.711 0.058 RESID 152 (L): N 125.200 125.200 122.762 2.438 RESID 152 (L): C 178.700 178.700 178.141 0.559 RESID 152 (L): CA 58.320 58.320 57.947 0.373 RESID 152 (L): CB 41.980 41.980 41.703 0.277 RESID 152 (L): H 8.460 8.460 8.388 0.072 RESID 153 (L): N 119.200 119.200 118.600 0.600 RESID 153 (L): C 179.700 179.700 178.667 1.033 RESID 153 (L): CA 58.960 58.960 57.531 1.429 RESID 153 (L): CB 41.270 41.270 41.383 -0.113 RESID 153 (L): H 8.562 8.562 7.618 0.944 RESID 154 (T): N 116.300 116.300 112.794 3.506 RESID 154 (T): C 177.200 177.200 176.900 0.300 RESID 154 (T): CA 67.290 67.290 65.971 1.319 RESID 154 (T): CB 68.640 68.640 68.117 0.523 RESID 154 (T): H 8.004 8.004 7.849 0.155 RESID 155 (Q): N 124.500 124.500 120.989 3.511 RESID 155 (Q): C 179.200 179.200 178.001 1.199 RESID 155 (Q): CA 59.710 59.710 58.336 1.374 RESID 155 (Q): CB 28.620 28.620 28.358 0.263 RESID 155 (Q): H 8.230 8.230 7.938 0.292 RESID 156 (L): C 180.900 180.900 179.263 1.637 RESID 156 (L): CA 57.540 57.540 56.912 0.628 RESID 156 (L): CB 41.710 41.710 41.839 -0.129 RESID 157 (G): N 112.800 112.800 107.002 5.798 RESID 157 (G): C 174.500 174.500 175.059 -0.559 RESID 157 (G): CA 48.300 48.300 46.505 1.795 RESID 157 (G): H 9.216 9.216 7.994 1.222 RESID 158 (E): N 123.500 123.500 118.648 4.852 RESID 158 (E): C 177.800 177.800 177.150 0.650 RESID 158 (E): CA 59.120 59.120 57.850 1.270 RESID 158 (E): CB 29.700 29.700 29.384 0.316 RESID 158 (E): H 7.480 7.480 7.459 0.021 RESID 160 (T): C 178.300 178.300 175.991 2.309 RESID 160 (T): CA 61.930 61.930 63.110 -1.180 RESID 160 (T): CB 71.830 71.830 69.166 2.664 RESID 161 (G): N 113.600 113.600 113.840 -0.240 RESID 161 (G): C 174.600 174.600 174.138 0.462 RESID 161 (G): CA 48.130 48.130 46.888 1.242 RESID 161 (G): H 8.114 8.114 8.988 -0.874 RESID 162 (H): N 121.000 121.000 115.959 5.041 RESID 162 (H): C 174.000 174.000 176.154 -2.154 RESID 162 (H): CA 55.370 55.370 55.814 -0.444 RESID 162 (H): CB 28.280 28.280 31.264 -2.984 RESID 162 (H): H 8.506 8.506 7.831 0.675 RESID 163 (E): N 123.900 123.900 122.156 1.744 RESID 163 (E): C 180.800 180.800 178.471 2.329 RESID 163 (E): CA 61.160 61.160 59.713 1.447 RESID 163 (E): CB 28.720 28.720 29.157 -0.437 RESID 163 (E): H 10.300 10.300 8.777 1.523 RESID 164 (K): N 120.600 120.600 120.404 0.196 RESID 164 (K): C 178.700 178.700 178.781 -0.081 RESID 164 (K): CA 59.590 59.590 60.059 -0.469 RESID 164 (K): CB 32.280 32.280 31.971 0.309 RESID 164 (K): H 8.789 8.789 8.391 0.398 RESID 165 (Q): N 119.500 119.500 117.259 2.241 RESID 165 (Q): C 178.800 178.800 178.129 0.671 RESID 165 (Q): CA 60.870 60.870 58.845 2.025 RESID 165 (Q): CB 28.120 28.120 28.378 -0.258 RESID 165 (Q): H 8.058 8.058 8.548 -0.490 RESID 166 (A): N 121.100 121.100 122.405 -1.305 RESID 166 (A): C 178.000 178.000 179.429 -1.429 RESID 166 (A): CA 56.280 56.280 54.954 1.326 RESID 166 (A): CB 18.300 18.300 18.073 0.227 RESID 166 (A): H 7.873 7.873 7.935 -0.062 RESID 167 (A): N 117.900 117.900 120.950 -3.050 RESID 167 (A): C 181.500 181.500 179.616 1.884 RESID 167 (A): CA 55.100 55.100 55.259 -0.159 RESID 167 (A): CB 17.860 17.860 18.164 -0.304 RESID 167 (A): H 7.642 7.642 8.745 -1.103 RESID 168 (E): N 120.100 120.100 118.562 1.538 RESID 168 (E): C 179.600 179.600 179.132 0.468 RESID 168 (E): CA 59.610 59.610 59.619 -0.009 RESID 168 (E): CB 29.790 29.790 29.335 0.455 RESID 168 (E): H 8.230 8.230 7.915 0.315 RESID 170 (I): C 177.700 177.700 177.713 -0.013 RESID 170 (I): CA 66.880 66.880 65.313 1.567 RESID 170 (I): CB 39.310 39.310 37.954 1.356 RESID 171 (A): N 120.700 120.700 123.165 -2.465 RESID 171 (A): C 181.200 181.200 179.841 1.359 RESID 171 (A): CA 55.290 55.290 55.641 -0.351 RESID 171 (A): CB 18.260 18.260 18.111 0.149 RESID 171 (A): H 8.000 8.000 8.773 -0.773 RESID 172 (Q): N 120.600 120.600 118.041 2.559 RESID 172 (Q): C 179.200 179.200 178.584 0.616 RESID 172 (Q): CA 59.210 59.210 58.502 0.708 RESID 172 (Q): CB 28.340 28.340 28.606 -0.266 RESID 172 (Q): H 8.585 8.585 7.936 0.649 RESID 173 (F): N 122.500 122.500 122.593 -0.093 RESID 173 (F): C 176.400 176.400 177.410 -1.010 RESID 173 (F): CA 62.710 62.710 61.103 1.607 RESID 173 (F): CB 39.490 39.490 39.121 0.369 RESID 173 (F): H 8.457 8.457 8.809 -0.352 RESID 174 (D): N 121.000 121.000 120.114 0.886 RESID 174 (D): C 180.300 180.300 178.887 1.413 RESID 174 (D): CA 58.040 58.040 57.503 0.537 RESID 174 (D): CB 40.160 40.160 40.251 -0.091 RESID 174 (D): H 8.771 8.771 9.042 -0.271 RESID 175 (K): N 121.300 121.300 120.217 1.083 RESID 175 (K): C 179.800 179.800 178.638 1.162 RESID 175 (K): CA 59.630 59.630 59.641 -0.011 RESID 175 (K): CB 32.710 32.710 32.394 0.316 RESID 175 (K): H 8.125 8.125 8.178 -0.053 RESID 176 (Q): N 121.600 121.600 119.501 2.099 RESID 176 (Q): C 179.100 179.100 178.337 0.763 RESID 176 (Q): CA 58.460 58.460 58.938 -0.478 RESID 176 (Q): CB 27.990 27.990 28.525 -0.535 RESID 176 (Q): H 8.164 8.164 7.812 0.352 RESID 177 (L): N 125.600 125.600 119.601 5.999 RESID 177 (L): C 178.400 178.400 178.669 -0.269 RESID 177 (L): CA 59.890 59.890 57.233 2.657 RESID 177 (L): CB 41.200 41.200 41.362 -0.162 RESID 177 (L): H 8.944 8.944 7.734 1.210 RESID 178 (A): N 121.500 121.500 122.559 -1.059 RESID 178 (A): C 180.600 180.600 179.237 1.363 RESID 178 (A): CA 55.390 55.390 55.196 0.194 RESID 178 (A): CB 17.970 17.970 17.885 0.085 RESID 178 (A): H 7.690 7.690 8.257 -0.567 RESID 179 (A): N 120.200 120.200 120.968 -0.768 RESID 179 (A): C 180.600 180.600 179.881 0.719 RESID 179 (A): CA 54.860 54.860 54.517 0.344 RESID 179 (A): CB 18.190 18.190 18.598 -0.408 RESID 179 (A): H 7.706 7.706 7.660 0.046 RESID 180 (A): N 121.800 121.800 121.818 -0.018 RESID 180 (A): C 179.200 179.200 179.106 0.094 RESID 180 (A): CA 55.490 55.490 54.739 0.751 RESID 180 (A): CB 17.920 17.920 18.195 -0.275 RESID 180 (A): H 8.171 8.171 7.985 0.186 RESID 181 (K): N 118.100 118.100 117.979 0.121 RESID 181 (K): C 178.000 178.000 178.081 -0.081 RESID 181 (K): CA 59.830 59.830 59.212 0.618 RESID 181 (K): CB 33.340 33.340 32.647 0.693 RESID 181 (K): H 8.342 8.342 8.314 0.028 RESID 182 (E): N 114.400 114.400 116.543 -2.143 RESID 182 (E): C 177.300 177.300 177.423 -0.123 RESID 182 (E): CA 57.870 57.870 57.115 0.755 RESID 182 (E): CB 30.320 30.320 29.235 1.085 RESID 182 (E): H 7.153 7.153 7.731 -0.578 RESID 183 (Q): N 116.700 116.700 117.387 -0.687 RESID 183 (Q): C 177.200 177.200 176.162 1.038 RESID 183 (Q): CA 57.060 57.060 56.818 0.242 RESID 183 (Q): CB 31.550 31.550 31.134 0.416 RESID 183 (Q): H 7.458 7.458 7.625 -0.167 RESID 184 (I): N 117.800 117.800 115.848 1.952 RESID 184 (I): C 175.200 175.200 174.240 0.960 RESID 184 (I): CA 63.000 63.000 59.738 3.262 RESID 184 (I): CB 40.300 40.300 39.967 0.333 RESID 184 (I): H 7.723 7.723 7.423 0.300 RESID 185 (K): N 127.700 127.700 122.921 4.779 RESID 185 (K): C 175.600 175.600 175.625 -0.025 RESID 185 (K): CA 54.550 54.550 55.124 -0.575 RESID 185 (K): CB 31.600 31.600 34.506 -2.906 RESID 185 (K): H 8.743 8.743 7.909 0.834 RESID 186 (L): N 124.700 124.700 125.740 -1.040 RESID 186 (L): C 175.700 175.700 175.915 -0.215 RESID 186 (L): CA 54.240 54.240 51.882 2.358 RESID 186 (L): CB 41.050 41.050 40.682 0.368 RESID 186 (L): H 8.051 8.051 8.477 -0.426 RESID 188 (P): C 174.800 174.800 176.256 -1.456 RESID 188 (P): CA 65.060 65.060 63.589 1.471 RESID 188 (P): CB 32.670 32.670 31.663 1.007 RESID 189 (Q): N 121.300 121.300 120.988 0.312 RESID 189 (Q): C 174.800 174.800 172.936 1.864 RESID 189 (Q): CA 52.330 52.330 54.720 -2.390 RESID 189 (Q): CB 31.350 31.350 30.402 0.948 RESID 189 (Q): H 8.061 8.061 8.223 -0.162 RESID 190 (P): C 175.500 175.500 175.581 -0.081 RESID 190 (P): CA 62.820 62.820 62.464 0.356 RESID 190 (P): CB 35.450 35.450 32.815 2.635 RESID 191 (V): N 112.600 112.600 121.594 -8.994 RESID 191 (V): C 174.300 174.300 173.958 0.342 RESID 191 (V): CA 59.740 59.740 59.525 0.215 RESID 191 (V): CB 35.030 35.030 34.697 0.333 RESID 191 (V): H 9.214 9.214 8.516 0.698 RESID 192 (T): N 120.700 120.700 113.334 7.366 RESID 192 (T): C 172.300 172.300 172.091 0.209 RESID 192 (T): CA 63.030 63.030 59.541 3.489 RESID 192 (T): CB 71.550 71.550 71.251 0.299 RESID 192 (T): H 8.462 8.462 8.324 0.138 RESID 193 (A): N 132.900 132.900 123.017 9.883 RESID 193 (A): C 175.400 175.400 175.404 -0.004 RESID 193 (A): CA 50.570 50.570 51.132 -0.562 RESID 193 (A): CB 21.140 21.140 21.439 -0.300 RESID 193 (A): H 10.170 10.170 8.560 1.610 RESID 194 (I): N 115.400 115.400 117.520 -2.120 RESID 194 (I): C 176.600 176.600 173.703 2.897 RESID 194 (I): CA 59.540 59.540 60.009 -0.469 RESID 194 (I): CB 43.930 43.930 42.107 1.823 RESID 194 (I): H 9.269 9.269 8.517 0.752 RESID 195 (V): N 118.500 118.500 122.877 -4.377 RESID 195 (V): C 176.200 176.200 174.080 2.120 RESID 195 (V): CA 63.190 63.190 61.392 1.798 RESID 195 (V): CB 34.870 34.870 34.676 0.194 RESID 195 (V): H 8.484 8.484 8.635 -0.151 RESID 196 (Y): N 132.200 132.200 129.500 2.700 RESID 196 (Y): C 174.700 174.700 174.151 0.549 RESID 196 (Y): CA 57.000 57.000 57.408 -0.408 RESID 196 (Y): CB 41.250 41.250 40.183 1.067 RESID 196 (Y): H 9.989 9.989 8.983 1.006 RESID 197 (T): N 124.900 124.900 123.431 1.469 RESID 197 (T): C 174.300 174.300 173.362 0.938 RESID 197 (T): CA 60.740 60.740 60.630 0.110 RESID 197 (T): CB 68.560 68.560 71.593 -3.033 RESID 197 (T): H 8.262 8.262 7.833 0.429 RESID 198 (A): N 130.500 130.500 130.846 -0.346 RESID 198 (A): C 180.400 180.400 179.140 1.260 RESID 198 (A): CA 55.510 55.510 54.318 1.192 RESID 198 (A): CB 18.480 18.480 18.382 0.098 RESID 198 (A): H 8.524 8.524 8.837 -0.313 RESID 199 (A): N 118.700 118.700 123.435 -4.735 RESID 199 (A): C 177.700 177.700 178.734 -1.034 RESID 199 (A): CA 54.350 54.350 54.837 -0.488 RESID 199 (A): CB 18.350 18.350 17.977 0.373 RESID 199 (A): H 8.578 8.578 8.266 0.312 RESID 200 (A): N 116.700 116.700 120.573 -3.873 RESID 200 (A): C 176.600 176.600 177.238 -0.638 RESID 200 (A): CA 51.290 51.290 52.107 -0.817 RESID 200 (A): CB 20.180 20.180 18.842 1.338 RESID 200 (A): H 6.638 6.638 8.090 -1.452 RESID 201 (H): N 116.900 116.900 116.439 0.461 RESID 201 (H): C 172.900 172.900 173.403 -0.503 RESID 201 (H): CA 56.710 56.710 56.327 0.383 RESID 201 (H): CB 27.820 27.820 28.238 -0.418 RESID 201 (H): H 7.569 7.569 7.744 -0.175 RESID 202 (S): N 110.500 110.500 114.471 -3.971 RESID 202 (S): C 171.500 171.500 171.464 0.036 RESID 202 (S): CA 56.530 56.530 57.613 -1.083 RESID 202 (S): CB 66.170 66.170 66.305 -0.135 RESID 202 (S): H 7.109 7.109 7.804 -0.695 RESID 203 (A): N 120.900 120.900 123.897 -2.997 RESID 203 (A): C 174.900 174.900 175.284 -0.384 RESID 203 (A): CA 50.890 50.890 51.430 -0.540 RESID 203 (A): CB 24.510 24.510 22.209 2.300 RESID 203 (A): H 8.618 8.618 8.309 0.309 RESID 204 (N): N 118.900 118.900 118.851 0.049 RESID 204 (N): C 173.300 173.300 173.458 -0.158 RESID 204 (N): CA 51.520 51.520 52.070 -0.550 RESID 204 (N): CB 40.080 40.080 42.172 -2.092 RESID 204 (N): H 8.333 8.333 8.220 0.113 RESID 205 (L): N 127.200 127.200 121.722 5.478 RESID 205 (L): C 175.700 175.700 175.564 0.136 RESID 205 (L): CA 54.920 54.920 54.068 0.852 RESID 205 (L): CB 44.180 44.180 42.639 1.541 RESID 205 (L): H 9.265 9.265 7.609 1.656 RESID 206 (W): N 125.300 125.300 123.654 1.646 RESID 206 (W): C 177.100 177.100 176.441 0.659 RESID 206 (W): CA 56.630 56.630 57.379 -0.749 RESID 206 (W): CB 29.690 29.690 30.811 -1.121 RESID 206 (W): H 8.560 8.560 7.912 0.648 RESID 207 (T): N 112.000 112.000 110.172 1.828 RESID 207 (T): C 176.100 176.100 173.276 2.824 RESID 207 (T): CA 60.120 60.120 59.224 0.896 RESID 207 (T): CB 68.540 68.540 70.386 -1.846 RESID 207 (T): H 8.029 8.029 8.134 -0.105 RESID 208 (P): C 176.000 176.000 176.847 -0.847 RESID 208 (P): CA 66.120 66.120 65.386 0.734 RESID 208 (P): CB 31.950 31.950 32.171 -0.221 RESID 209 (E): N 112.300 112.300 115.021 -2.721 RESID 209 (E): C 177.100 177.100 176.819 0.281 RESID 209 (E): CA 57.280 57.280 57.223 0.057 RESID 209 (E): CB 29.760 29.760 30.146 -0.386 RESID 209 (E): H 7.612 7.612 7.969 -0.357 RESID 210 (S): N 115.800 115.800 115.100 0.700 RESID 210 (S): C 173.900 173.900 175.541 -1.641 RESID 210 (S): CA 58.060 58.060 59.178 -1.117 RESID 210 (S): CB 67.320 67.320 64.483 2.837 RESID 210 (S): H 7.654 7.654 7.425 0.229 RESID 211 (A): N 125.200 125.200 127.386 -2.186 RESID 211 (A): C 180.600 180.600 179.853 0.747 RESID 211 (A): CA 55.410 55.410 55.310 0.100 RESID 211 (A): CB 18.530 18.530 18.755 -0.225 RESID 211 (A): H 8.874 8.874 9.012 -0.138 RESID 212 (Q): N 119.200 119.200 118.646 0.554 RESID 212 (Q): C 177.100 177.100 178.017 -0.917 RESID 212 (Q): CA 61.410 61.410 58.987 2.423 RESID 212 (Q): CB 27.090 27.090 27.421 -0.331 RESID 212 (Q): H 8.493 8.493 8.475 0.018 RESID 213 (G): N 107.500 107.500 107.639 -0.139 RESID 213 (G): C 175.400 175.400 176.322 -0.922 RESID 213 (G): CA 47.520 47.520 46.834 0.687 RESID 213 (G): H 8.053 8.053 8.281 -0.228 RESID 214 (Q): N 120.700 120.700 121.486 -0.786 RESID 214 (Q): C 179.000 179.000 178.384 0.616 RESID 214 (Q): CA 59.150 59.150 58.875 0.275 RESID 214 (Q): CB 29.110 29.110 28.693 0.417 RESID 214 (Q): H 8.501 8.501 8.073 0.428 RESID 215 (M): N 119.200 119.200 120.615 -1.415 RESID 215 (M): C 177.800 177.800 178.179 -0.379 RESID 215 (M): CA 59.760 59.760 59.638 0.122 RESID 215 (M): CB 32.050 32.050 32.844 -0.794 RESID 215 (M): H 7.878 7.878 8.216 -0.338 RESID 216 (L): N 115.800 115.800 118.837 -3.037 RESID 216 (L): C 179.900 179.900 179.028 0.872 RESID 216 (L): CA 58.160 58.160 57.661 0.499 RESID 216 (L): CB 40.010 40.010 41.454 -1.444 RESID 216 (L): H 7.517 7.517 8.030 -0.513 RESID 217 (E): N 121.000 121.000 119.696 1.304 RESID 217 (E): C 182.200 182.200 179.298 2.902 RESID 217 (E): CA 60.210 60.210 58.944 1.266 RESID 217 (E): CB 29.150 29.150 29.419 -0.269 RESID 217 (E): H 8.377 8.377 8.217 0.160 RESID 218 (Q): N 122.300 122.300 117.127 5.173 RESID 218 (Q): C 178.100 178.100 178.837 -0.737 RESID 218 (Q): CA 59.220 59.220 58.234 0.986 RESID 218 (Q): CB 28.850 28.850 29.113 -0.263 RESID 218 (Q): H 8.464 8.464 7.932 0.532 RESID 219 (L): N 118.400 118.400 117.520 0.880 RESID 219 (L): C 175.200 175.200 177.472 -2.272 RESID 219 (L): CA 55.880 55.880 57.180 -1.300 RESID 219 (L): CB 44.330 44.330 42.878 1.452 RESID 219 (L): H 7.433 7.433 7.775 -0.342 RESID 220 (G): N 104.600 104.600 102.725 1.875 RESID 220 (G): C 174.700 174.700 172.897 1.803 RESID 220 (G): CA 44.750 44.750 44.693 0.057 RESID 220 (G): H 7.777 7.777 8.188 -0.411 RESID 221 (F): N 119.100 119.100 118.715 0.385 RESID 221 (F): C 175.200 175.200 174.090 1.110 RESID 221 (F): CA 57.900 57.900 55.997 1.903 RESID 221 (F): CB 38.930 38.930 42.596 -3.666 RESID 221 (F): H 8.001 8.001 7.780 0.221 RESID 222 (T): N 117.600 117.600 116.172 1.428 RESID 222 (T): C 173.900 173.900 173.477 0.423 RESID 222 (T): CA 61.790 61.790 61.317 0.473 RESID 222 (T): CB 71.360 71.360 69.578 1.782 RESID 222 (T): H 8.961 8.961 8.742 0.219 RESID 223 (L): N 128.300 128.300 127.055 1.245 RESID 223 (L): C 178.300 178.300 176.644 1.656 RESID 223 (L): CA 54.760 54.760 53.404 1.356 RESID 223 (L): CB 41.600 41.600 42.757 -1.157 RESID 223 (L): H 9.269 9.269 8.215 1.054 RESID 224 (A): N 126.800 126.800 128.073 -1.273 RESID 224 (A): C 177.400 177.400 175.862 1.538 RESID 224 (A): CA 52.460 52.460 50.982 1.478 RESID 224 (A): CB 18.650 18.650 20.837 -2.187 RESID 224 (A): H 9.077 9.077 8.118 0.959 RESID 225 (K): N 123.400 123.400 121.165 2.235 RESID 225 (K): C 176.800 176.800 176.193 0.607 RESID 225 (K): CA 55.600 55.600 55.588 0.012 RESID 225 (K): CB 33.080 33.080 32.885 0.195 RESID 225 (K): H 8.601 8.601 8.364 0.237 RESID 226 (L): N 126.200 126.200 128.019 -1.819 RESID 226 (L): C 175.500 175.500 175.606 -0.106 RESID 226 (L): CA 53.420 53.420 53.952 -0.532 RESID 226 (L): CB 41.720 41.720 41.254 0.466 RESID 226 (L): H 8.634 8.634 8.518 0.116 RESID 227 (P): C 176.800 176.800 177.057 -0.257 RESID 227 (P): CA 62.860 62.860 62.893 -0.033 RESID 227 (P): CB 32.360 32.360 32.186 0.174 RESID 228 (A): N 124.900 124.900 124.825 0.075 RESID 228 (A): C 179.500 179.500 178.454 1.046 RESID 228 (A): CA 54.120 54.120 53.386 0.734 RESID 228 (A): CB 18.710 18.710 18.701 0.009 RESID 228 (A): H 8.412 8.412 8.508 -0.096 RESID 229 (G): N 107.700 107.700 107.477 0.223 RESID 229 (G): C 175.000 175.000 176.006 -1.006 RESID 229 (G): CA 46.040 46.040 45.429 0.611 RESID 229 (G): H 8.565 8.565 8.091 0.474 RESID 230 (L): N 121.100 121.100 122.357 -1.257 RESID 230 (L): C 176.900 176.900 178.323 -1.423 RESID 230 (L): CA 55.620 55.620 55.533 0.086 RESID 230 (L): CB 42.630 42.630 41.684 0.945 RESID 230 (L): H 7.454 7.454 7.888 -0.434 RESID 231 (N): N 119.400 119.400 119.834 -0.434 RESID 231 (N): C 175.300 175.300 175.900 -0.600 RESID 231 (N): CA 53.650 53.650 56.147 -2.497 RESID 231 (N): CB 38.940 38.940 37.997 0.943 RESID 231 (N): H 8.211 8.211 8.046 0.165 RESID 232 (A): N 124.500 124.500 119.561 4.939 RESID 232 (A): C 178.100 178.100 178.043 0.057 RESID 232 (A): CA 53.110 53.110 51.654 1.456 RESID 232 (A): CB 19.340 19.340 18.043 1.297 RESID 232 (A): H 8.103 8.103 7.924 0.179 RESID 233 (S): N 115.200 115.200 115.316 -0.116 RESID 233 (S): C 175.100 175.100 175.586 -0.486 RESID 233 (S): CA 59.280 59.280 61.066 -1.786 RESID 233 (S): CB 64.280 64.280 63.339 0.941 RESID 233 (S): H 8.169 8.169 8.452 -0.283 RESID 234 (Q): N 122.100 122.100 120.577 1.523 RESID 234 (Q): C 176.400 176.400 175.720 0.680 RESID 234 (Q): CA 56.240 56.240 56.074 0.166 RESID 234 (Q): CB 29.490 29.490 30.782 -1.292 RESID 234 (Q): H 8.230 8.230 7.793 0.437 RESID 235 (S): N 117.100 117.100 118.062 -0.962 RESID 235 (S): C 174.900 174.900 174.649 0.251 RESID 235 (S): CA 58.910 58.910 58.884 0.026 RESID 235 (S): CB 64.510 64.510 62.899 1.611 RESID 235 (S): H 8.229 8.229 8.440 -0.211 RESID 236 (Q): N 122.300 122.300 127.118 -4.818 RESID 236 (Q): C 176.700 176.700 175.435 1.265 RESID 236 (Q): CA 56.610 56.610 55.495 1.115 RESID 236 (Q): CB 29.280 29.280 27.647 1.633 RESID 236 (Q): H 8.372 8.372 8.866 -0.494 RESID 237 (G): N 110.400 110.400 109.025 1.375 RESID 237 (G): C 174.100 174.100 172.959 1.141 RESID 237 (G): CA 45.720 45.720 45.471 0.249 RESID 237 (G): H 8.381 8.381 7.583 0.798 RESID 238 (K): N 120.500 120.500 121.516 -1.016 RESID 238 (K): C 176.600 176.600 175.501 1.099 RESID 238 (K): CA 56.490 56.490 55.984 0.506 RESID 238 (K): CB 33.320 33.320 32.760 0.560 RESID 238 (K): H 7.968 7.968 8.364 -0.396 RESID 239 (R): N 120.900 120.900 124.958 -4.058 RESID 239 (R): CA 56.130 56.130 55.938 0.192 RESID 239 (R): CB 31.560 31.560 30.904 0.656 RESID 239 (R): H 8.159 8.159 8.500 -0.341 RESID 240 (H): C 174.800 174.800 176.525 -1.725 RESID 240 (H): CA 55.740 55.740 58.783 -3.043 RESID 240 (H): CB 29.760 29.760 29.867 -0.107 RESID 241 (D): N 119.800 119.800 119.219 0.581 RESID 241 (D): C 174.700 174.700 176.281 -1.581 RESID 241 (D): CA 55.500 55.500 55.998 -0.498 RESID 241 (D): CB 40.550 40.550 41.225 -0.675 RESID 241 (D): H 9.052 9.052 8.395 0.657 RESID 242 (I): N 115.200 115.200 114.950 0.250 RESID 242 (I): C 175.600 175.600 174.385 1.215 RESID 242 (I): CA 59.090 59.090 59.381 -0.291 RESID 242 (I): CB 43.670 43.670 40.922 2.748 RESID 242 (I): H 7.087 7.087 7.409 -0.322 RESID 243 (I): N 125.100 125.100 125.936 -0.836 RESID 243 (I): C 175.300 175.300 174.267 1.033 RESID 243 (I): CA 60.340 60.340 60.642 -0.302 RESID 243 (I): CB 41.290 41.290 38.368 2.922 RESID 243 (I): H 8.746 8.746 8.549 0.197 RESID 244 (Q): N 128.400 128.400 127.512 0.888 RESID 244 (Q): C 175.300 175.300 174.249 1.051 RESID 244 (Q): CA 56.460 56.460 54.928 1.532 RESID 244 (Q): CB 29.800 29.800 29.820 -0.020 RESID 244 (Q): H 8.768 8.768 8.597 0.171 RESID 245 (L): N 125.500 125.500 123.519 1.981 RESID 245 (L): C 176.200 176.200 176.603 -0.403 RESID 245 (L): CA 53.790 53.790 53.121 0.669 RESID 245 (L): CB 45.100 45.100 44.872 0.228 RESID 245 (L): H 8.640 8.640 8.360 0.281 RESID 246 (G): N 109.700 109.700 105.042 4.658 RESID 246 (G): C 174.200 174.200 174.328 -0.128 RESID 246 (G): CA 44.590 44.590 45.026 -0.437 RESID 246 (G): H 8.424 8.424 8.442 -0.018 RESID 247 (G): N 108.500 108.500 108.645 -0.145 RESID 247 (G): C 176.800 176.800 174.980 1.820 RESID 247 (G): CA 47.500 47.500 44.355 3.145 RESID 247 (G): H 8.666 8.666 7.733 0.933 RESID 248 (E): N 123.700 123.700 121.131 2.569 RESID 248 (E): C 177.300 177.300 176.529 0.771 RESID 248 (E): CA 58.560 58.560 57.474 1.086 RESID 248 (E): CB 29.330 29.330 29.307 0.023 RESID 248 (E): H 9.265 9.265 8.803 0.462 RESID 249 (N): N 116.700 116.700 116.266 0.434 RESID 249 (N): C 175.500 175.500 175.977 -0.477 RESID 249 (N): CA 53.490 53.490 53.734 -0.244 RESID 249 (N): CB 39.390 39.390 38.651 0.738 RESID 249 (N): H 7.963 7.963 7.513 0.450 RESID 250 (L): N 121.100 121.100 119.917 1.183 RESID 250 (L): C 177.100 177.100 178.095 -0.995 RESID 250 (L): CA 58.810 58.810 56.986 1.825 RESID 250 (L): CB 42.220 42.220 41.467 0.753 RESID 250 (L): H 7.104 7.104 7.776 -0.672 RESID 251 (A): N 117.400 117.400 122.452 -5.052 RESID 251 (A): C 179.500 179.500 178.164 1.336 RESID 251 (A): CA 55.340 55.340 54.657 0.683 RESID 251 (A): CB 17.960 17.960 18.389 -0.429 RESID 251 (A): H 8.141 8.141 8.310 -0.169 RESID 252 (A): N 117.400 117.400 118.576 -1.176 RESID 252 (A): C 179.100 179.100 178.318 0.782 RESID 252 (A): CA 53.990 53.990 52.375 1.615 RESID 252 (A): CB 18.970 18.970 18.969 0.001 RESID 252 (A): H 7.375 7.375 8.409 -1.034 RESID 253 (G): N 100.600 100.600 107.905 -7.305 RESID 253 (G): C 172.700 172.700 174.795 -2.095 RESID 253 (G): CA 45.380 45.380 45.019 0.361 RESID 253 (G): H 7.589 7.589 7.559 0.030 RESID 254 (L): N 124.800 124.800 122.861 1.939 RESID 254 (L): C 175.300 175.300 177.570 -2.270 RESID 254 (L): CA 53.020 53.020 54.865 -1.845 RESID 254 (L): CB 39.090 39.090 42.090 -3.000 RESID 254 (L): H 7.202 7.202 7.784 -0.582 RESID 255 (N): N 113.800 113.800 121.543 -7.743 RESID 255 (N): C 176.600 176.600 176.251 0.349 RESID 255 (N): CA 53.420 53.420 54.005 -0.585 RESID 255 (N): CB 37.600 37.600 38.828 -1.228 RESID 255 (N): H 7.701 7.701 8.842 -1.141 RESID 256 (G): N 109.100 109.100 106.585 2.515 RESID 256 (G): C 172.200 172.200 174.588 -2.388 RESID 256 (G): CA 45.790 45.790 45.332 0.458 RESID 256 (G): H 7.856 7.856 8.552 -0.696 RESID 257 (E): N 120.100 120.100 118.839 1.261 RESID 257 (E): C 176.900 176.900 175.591 1.309 RESID 257 (E): CA 57.880 57.880 56.630 1.250 RESID 257 (E): CB 29.760 29.760 30.576 -0.817 RESID 257 (E): H 8.443 8.443 8.638 -0.195 RESID 258 (S): N 107.500 107.500 113.699 -6.199 RESID 258 (S): C 172.500 172.500 172.426 0.074 RESID 258 (S): CA 58.010 58.010 58.537 -0.527 RESID 258 (S): CB 66.360 66.360 63.802 2.558 RESID 258 (S): H 7.176 7.176 8.016 -0.840 RESID 259 (L): N 124.900 124.900 127.595 -2.695 RESID 259 (L): C 173.900 173.900 176.457 -2.557 RESID 259 (L): CA 53.630 53.630 54.368 -0.738 RESID 259 (L): CB 46.240 46.240 42.362 3.878 RESID 259 (L): H 8.969 8.969 8.041 0.928 RESID 260 (F): N 123.700 123.700 122.991 0.709 RESID 260 (F): C 174.200 174.200 176.032 -1.832 RESID 260 (F): CA 56.460 56.460 54.945 1.515 RESID 260 (F): CB 41.560 41.560 40.505 1.055 RESID 260 (F): H 9.295 9.295 8.134 1.161 RESID 261 (L): N 123.900 123.900 120.081 3.819 RESID 261 (L): C 177.600 177.600 177.079 0.521 RESID 261 (L): CA 54.010 54.010 53.190 0.820 RESID 261 (L): CB 41.470 41.470 45.519 -4.048 RESID 261 (L): H 9.034 9.034 8.181 0.853 RESID 262 (F): N 123.800 123.800 122.201 1.599 RESID 262 (F): C 175.500 175.500 175.805 -0.305 RESID 262 (F): CA 58.850 58.850 56.926 1.924 RESID 262 (F): CB 39.930 39.930 38.521 1.409 RESID 262 (F): H 9.338 9.338 9.103 0.235 RESID 263 (A): N 121.900 121.900 124.106 -2.206 RESID 263 (A): C 175.300 175.300 177.036 -1.736 RESID 263 (A): CA 53.630 53.630 52.687 0.943 RESID 263 (A): CB 19.700 19.700 16.832 2.868 RESID 263 (A): H 8.902 8.902 8.318 0.584 RESID 264 (G): N 104.500 104.500 111.623 -7.123 RESID 264 (G): C 171.100 171.100 172.733 -1.633 RESID 264 (G): CA 45.540 45.540 45.043 0.497 RESID 264 (G): H 6.746 6.746 7.872 -1.126 RESID 265 (D): N 122.300 122.300 122.617 -0.317 RESID 265 (D): C 177.300 177.300 177.272 0.028 RESID 265 (D): CA 51.660 51.660 52.788 -1.128 RESID 265 (D): CB 42.840 42.840 42.238 0.602 RESID 265 (D): H 9.052 9.052 8.121 0.931 RESID 266 (Q): N 118.400 118.400 119.585 -1.185 RESID 266 (Q): C 177.600 177.600 177.459 0.141 RESID 266 (Q): CA 58.620 58.620 59.063 -0.443 RESID 266 (Q): CB 28.490 28.490 28.648 -0.157 RESID 266 (Q): H 8.277 8.277 8.602 -0.325 RESID 267 (K): N 117.700 117.700 118.760 -1.060 RESID 267 (K): C 180.400 180.400 178.078 2.322 RESID 267 (K): CA 59.390 59.390 59.546 -0.156 RESID 267 (K): CB 31.440 31.440 31.783 -0.343 RESID 267 (K): H 7.879 7.879 7.921 -0.042 RESID 268 (D): N 121.600 121.600 119.656 1.944 RESID 268 (D): C 177.400 177.400 178.338 -0.938 RESID 268 (D): CA 57.980 57.980 56.967 1.013 RESID 268 (D): CB 41.550 41.550 40.253 1.297 RESID 268 (D): H 7.640 7.640 8.099 -0.459 RESID 269 (A): N 121.700 121.700 121.483 0.217 RESID 269 (A): C 179.000 179.000 178.411 0.589 RESID 269 (A): CA 55.640 55.640 54.925 0.716 RESID 269 (A): CB 17.490 17.490 18.194 -0.704 RESID 269 (A): H 7.370 7.370 7.625 -0.255 RESID 270 (D): N 118.200 118.200 117.921 0.279 RESID 270 (D): C 179.300 179.300 176.513 2.787 RESID 270 (D): CA 57.570 57.570 56.312 1.258 RESID 270 (D): CB 39.860 39.860 40.248 -0.388 RESID 270 (D): H 8.735 8.735 7.950 0.785 RESID 271 (A): N 122.900 122.900 119.880 3.020 RESID 271 (A): C 180.800 180.800 179.323 1.477 RESID 271 (A): CA 55.040 55.040 53.568 1.472 RESID 271 (A): CB 18.300 18.300 19.324 -1.024 RESID 271 (A): H 7.579 7.579 7.041 0.538 RESID 272 (I): N 0.000 0.000 120.447 -120.447 RESID 272 (I): C 178.300 178.300 176.948 1.352 RESID 272 (I): CA 63.880 63.880 64.653 -0.773 RESID 272 (I): CB 35.710 35.710 38.130 -2.420 RESID 272 (I): H 7.340 7.340 8.400 -1.060 RESID 273 (Y): N 116.300 116.300 116.985 -0.685 RESID 273 (Y): C 177.000 177.000 176.780 0.220 RESID 273 (Y): CA 61.100 61.100 58.290 2.810 RESID 273 (Y): CB 37.770 37.770 35.823 1.947 RESID 273 (Y): H 7.509 7.509 7.290 0.219 RESID 274 (A): N 118.600 118.600 121.840 -3.240 RESID 274 (A): C 177.200 177.200 177.176 0.024 RESID 274 (A): CA 52.030 52.030 53.003 -0.973 RESID 274 (A): CB 19.580 19.580 19.419 0.161 RESID 274 (A): H 7.495 7.495 7.838 -0.343 RESID 275 (N): N 119.900 119.900 118.249 1.651 RESID 275 (N): C 175.700 175.700 174.015 1.685 RESID 275 (N): CA 51.030 51.030 51.372 -0.342 RESID 275 (N): CB 38.590 38.590 37.025 1.565 RESID 275 (N): H 7.200 7.200 7.959 -0.759 RESID 276 (P): C 178.900 178.900 178.499 0.401 RESID 276 (P): CA 65.190 65.190 65.474 -0.284 RESID 276 (P): CB 32.440 32.440 32.041 0.399 RESID 277 (L): N 116.700 116.700 117.406 -0.706 RESID 277 (L): C 178.000 178.000 178.909 -0.909 RESID 277 (L): CA 56.630 56.630 57.545 -0.915 RESID 277 (L): CB 41.720 41.720 41.510 0.211 RESID 277 (L): H 7.777 7.777 7.925 -0.148 RESID 278 (L): N 115.100 115.100 116.567 -1.467 RESID 278 (L): C 176.600 176.600 177.856 -1.256 RESID 278 (L): CA 53.200 53.200 54.912 -1.712 RESID 278 (L): CB 40.960 40.960 41.297 -0.338 RESID 278 (L): H 7.485 7.485 7.681 -0.196 RESID 279 (A): N 118.600 118.600 123.111 -4.511 RESID 279 (A): C 177.700 177.700 177.805 -0.105 RESID 279 (A): CA 55.090 55.090 54.369 0.721 RESID 279 (A): CB 19.710 19.710 18.604 1.106 RESID 279 (A): H 6.665 6.665 7.903 -1.238 RESID 280 (H): N 111.600 111.600 115.289 -3.689 RESID 280 (H): C 175.500 175.500 175.203 0.297 RESID 280 (H): CA 55.360 55.360 56.242 -0.882 RESID 280 (H): CB 29.540 29.540 28.636 0.904 RESID 280 (H): H 8.337 8.337 8.202 0.135 RESID 281 (L): N 124.100 124.100 122.514 1.586 RESID 281 (L): C 176.300 176.300 175.869 0.431 RESID 281 (L): CA 53.330 53.330 52.962 0.368 RESID 281 (L): CB 40.490 40.490 41.949 -1.459 RESID 281 (L): H 7.289 7.289 7.446 -0.157 RESID 282 (P): C 178.200 178.200 178.381 -0.181 RESID 282 (P): CA 66.050 66.050 65.691 0.359 RESID 282 (P): CB 32.150 32.150 31.724 0.426 RESID 283 (A): N 116.000 116.000 119.214 -3.214 RESID 283 (A): C 179.000 179.000 179.831 -0.831 RESID 283 (A): CA 55.630 55.630 55.199 0.431 RESID 283 (A): CB 19.490 19.490 18.182 1.308 RESID 283 (A): H 7.969 7.969 8.426 -0.457 RESID 284 (V): N 115.200 115.200 118.504 -3.304 RESID 284 (V): C 180.000 180.000 178.931 1.069 RESID 284 (V): CA 65.640 65.640 65.892 -0.253 RESID 284 (V): CB 32.560 32.560 30.827 1.733 RESID 284 (V): H 6.557 6.557 7.684 -1.127 RESID 285 (Q): N 121.200 121.200 120.446 0.754 RESID 285 (Q): C 178.000 178.000 177.659 0.341 RESID 285 (Q): CA 59.500 59.500 58.800 0.701 RESID 285 (Q): CB 29.080 29.080 28.606 0.474 RESID 285 (Q): H 8.581 8.581 7.832 0.750 RESID 286 (N): N 112.600 112.600 113.989 -1.389 RESID 286 (N): C 174.500 174.500 173.864 0.636 RESID 286 (N): CA 53.160 53.160 52.732 0.428 RESID 286 (N): CB 38.390 38.390 38.732 -0.342 RESID 286 (N): H 8.117 8.117 8.045 0.072 RESID 287 (K): N 118.500 118.500 115.842 2.658 RESID 287 (K): C 176.100 176.100 176.224 -0.124 RESID 287 (K): CA 57.540 57.540 57.308 0.232 RESID 287 (K): CB 28.570 28.570 29.523 -0.953 RESID 287 (K): H 7.724 7.724 7.697 0.027 RESID 288 (Q): N 119.700 119.700 117.149 2.551 RESID 288 (Q): C 173.700 173.700 174.068 -0.368 RESID 288 (Q): CA 52.970 52.970 54.838 -1.868 RESID 288 (Q): CB 28.640 28.640 28.986 -0.346 RESID 288 (Q): H 8.895 8.895 8.432 0.463 RESID 289 (V): N 119.200 119.200 118.633 0.567 RESID 289 (V): C 175.100 175.100 175.156 -0.056 RESID 289 (V): CA 61.600 61.600 61.121 0.479 RESID 289 (V): CB 32.610 32.610 34.002 -1.392 RESID 289 (V): H 6.246 6.246 6.907 -0.661 RESID 290 (Y): N 125.700 125.700 124.699 1.001 RESID 290 (Y): C 174.100 174.100 174.371 -0.271 RESID 290 (Y): CA 56.830 56.830 56.653 0.177 RESID 290 (Y): CB 40.950 40.950 42.382 -1.432 RESID 290 (Y): H 8.682 8.682 9.054 -0.372 RESID 291 (A): N 126.900 126.900 121.970 4.930 RESID 291 (A): C 178.300 178.300 176.771 1.529 RESID 291 (A): CA 51.560 51.560 50.356 1.204 RESID 291 (A): CB 19.670 19.670 21.258 -1.588 RESID 291 (A): H 9.057 9.057 8.649 0.408 RESID 292 (L): N 120.800 120.800 119.737 1.063 RESID 292 (L): C 175.500 175.500 176.234 -0.734 RESID 292 (L): CA 54.880 54.880 54.248 0.631 RESID 292 (L): CB 42.490 42.490 42.261 0.229 RESID 292 (L): H 8.342 8.342 8.919 -0.577 RESID 293 (G): N 107.500 107.500 103.869 3.631 RESID 293 (G): C 177.600 177.600 174.161 3.439 RESID 293 (G): CA 45.110 45.110 44.445 0.665 RESID 293 (G): H 7.973 7.973 7.397 0.576 RESID 294 (T): N 117.800 117.800 116.742 1.058 RESID 294 (T): C 176.400 176.400 176.011 0.389 RESID 294 (T): CA 65.260 65.260 65.192 0.068 RESID 294 (T): CB 68.310 68.310 69.147 -0.837 RESID 294 (T): H 8.808 8.808 8.583 0.225 RESID 295 (E): N 122.100 122.100 119.913 2.187 RESID 295 (E): C 177.700 177.700 176.602 1.098 RESID 295 (E): CA 58.540 58.540 58.350 0.190 RESID 295 (E): CB 29.010 29.010 28.765 0.245 RESID 295 (E): H 10.380 10.380 8.841 1.539 RESID 296 (T): N 103.000 103.000 108.679 -5.679 RESID 296 (T): C 173.600 173.600 174.370 -0.770 RESID 296 (T): CA 62.320 62.320 61.242 1.078 RESID 296 (T): CB 69.170 69.170 67.769 1.401 RESID 296 (T): H 7.062 7.062 7.909 -0.847 RESID 297 (F): N 121.500 121.500 123.085 -1.585 RESID 297 (F): C 174.500 174.500 175.885 -1.385 RESID 297 (F): CA 61.700 61.700 61.010 0.690 RESID 297 (F): CB 39.640 39.640 39.782 -0.142 RESID 297 (F): H 8.108 8.108 7.834 0.274 RESID 298 (R): N 116.800 116.800 119.652 -2.852 RESID 298 (R): C 176.000 176.000 175.094 0.906 RESID 298 (R): CA 54.160 54.160 55.744 -1.584 RESID 298 (R): CB 32.460 32.460 31.134 1.326 RESID 298 (R): H 7.552 7.552 8.227 -0.675 RESID 299 (L): N 125.500 125.500 126.135 -0.635 RESID 299 (L): C 174.800 174.800 174.460 0.340 RESID 299 (L): CA 54.300 54.300 54.114 0.186 RESID 299 (L): CB 41.670 41.670 43.982 -2.312 RESID 299 (L): H 8.903 8.903 8.437 0.466 RESID 300 (D): N 124.600 124.600 124.778 -0.178 RESID 300 (D): C 173.400 173.400 175.603 -2.203 RESID 300 (D): CA 51.880 51.880 53.277 -1.397 RESID 300 (D): CB 43.230 43.230 42.639 0.591 RESID 300 (D): H 7.735 7.735 8.803 -1.068 RESID 301 (Y): N 118.100 118.100 121.402 -3.302 RESID 301 (Y): C 175.300 175.300 176.147 -0.847 RESID 301 (Y): CA 61.650 61.650 63.321 -1.671 RESID 301 (Y): CB 38.740 38.740 38.706 0.034 RESID 301 (Y): H 7.943 7.943 9.003 -1.060 RESID 302 (Y): N 112.300 112.300 115.845 -3.545 RESID 302 (Y): C 180.800 180.800 177.702 3.098 RESID 302 (Y): CA 61.970 61.970 60.837 1.133 RESID 302 (Y): CB 37.990 37.990 38.102 -0.112 RESID 302 (Y): H 7.309 7.309 8.085 -0.776 RESID 303 (S): N 119.100 119.100 115.553 3.547 RESID 303 (S): C 176.300 176.300 176.566 -0.266 RESID 303 (S): CA 60.690 60.690 61.308 -0.618 RESID 303 (S): CB 63.180 63.180 62.971 0.209 RESID 303 (S): H 9.411 9.411 9.488 -0.077 RESID 304 (A): N 126.900 126.900 125.630 1.270 RESID 304 (A): C 180.400 180.400 179.435 0.965 RESID 304 (A): CA 56.000 56.000 54.922 1.078 RESID 304 (A): CB 18.040 18.040 17.963 0.077 RESID 304 (A): H 8.860 8.860 7.852 1.008 RESID 305 (M): N 116.600 116.600 118.042 -1.442 RESID 305 (M): C 179.300 179.300 178.883 0.417 RESID 305 (M): CA 57.880 57.880 59.778 -1.898 RESID 305 (M): CB 31.350 31.350 32.386 -1.036 RESID 305 (M): H 7.346 7.346 7.501 -0.155 RESID 306 (Q): N 119.300 119.300 118.813 0.487 RESID 306 (Q): C 179.000 179.000 178.838 0.162 RESID 306 (Q): CA 59.410 59.410 58.891 0.519 RESID 306 (Q): CB 28.450 28.450 28.822 -0.372 RESID 306 (Q): H 7.633 7.633 7.870 -0.237 RESID 308 (L): C 178.700 178.700 178.485 0.215 RESID 308 (L): CA 58.690 58.690 58.416 0.274 RESID 308 (L): CB 41.790 41.790 41.382 0.408 RESID 309 (D): N 119.100 119.100 119.094 0.006 RESID 309 (D): C 179.600 179.600 178.886 0.714 RESID 309 (D): CA 57.830 57.830 57.567 0.263 RESID 309 (D): CB 40.820 40.820 40.332 0.488 RESID 309 (D): H 7.984 7.984 8.062 -0.078 RESID 310 (R): N 121.700 121.700 120.596 1.104 RESID 310 (R): C 178.900 178.900 178.729 0.171 RESID 310 (R): CA 58.590 58.590 59.192 -0.602 RESID 310 (R): CB 29.820 29.820 30.151 -0.331 RESID 310 (R): H 8.463 8.463 7.601 0.862 RESID 311 (L): N 119.200 119.200 119.929 -0.729 RESID 311 (L): C 178.800 178.800 178.737 0.063 RESID 311 (L): CA 58.380 58.380 58.106 0.274 RESID 311 (L): CB 42.340 42.340 41.838 0.502 RESID 311 (L): H 8.489 8.489 8.308 0.181 RESID 312 (K): N 116.500 116.500 118.753 -2.253 RESID 312 (K): C 178.000 178.000 178.413 -0.413 RESID 312 (K): CA 59.250 59.250 59.179 0.071 RESID 312 (K): CB 32.440 32.440 32.499 -0.060 RESID 312 (K): H 7.955 7.955 8.207 -0.252 RESID 313 (A): N 119.500 119.500 120.743 -1.243 RESID 313 (A): C 180.000 180.000 178.685 1.315 RESID 313 (A): CA 53.920 53.920 53.300 0.620 RESID 313 (A): CB 18.800 18.800 19.248 -0.448 RESID 313 (A): H 7.427 7.427 7.752 -0.325 RESID 314 (L): N 119.500 119.500 119.142 0.358 RESID 314 (L): C 177.400 177.400 176.433 0.967 RESID 314 (L): CA 56.770 56.770 57.228 -0.458 RESID 314 (L): CB 43.730 43.730 42.345 1.385 RESID 314 (L): H 7.431 7.431 8.139 -0.708 N HA C CA CB H RESID 26 (W): -3.461 ----- -0.887 0.290 3.198 0.350 RESID 27 (P): ----- ----- -0.008 -0.277 4.932 ----- RESID 28 (R): -3.776 ----- -1.423 0.736 0.768 0.084 RESID 29 (Q): -0.805 ----- 0.565 -1.298 1.440 -0.093 RESID 30 (I): -1.745 ----- 0.628 -0.887 -0.540 1.044 RESID 31 (T): 3.259 ----- 0.709 -1.325 1.050 0.585 RESID 32 (D): 5.737 ----- 1.424 0.727 -0.622 1.434 RESID 33 (S): -4.456 ----- -0.415 0.350 -0.447 -0.204 RESID 34 (R): -2.552 ----- -0.829 -3.530 0.135 0.592 RESID 35 (G): 5.161 ----- -2.294 -0.507 ----- -0.778 RESID 36 (T): 0.442 ----- 0.968 0.063 -0.187 0.540 RESID 37 (H): 0.467 ----- 0.727 -1.339 -2.052 0.358 RESID 38 (T): 3.785 ----- 1.269 2.043 -1.248 1.411 RESID 39 (L): 7.139 ----- 0.035 0.510 -0.951 0.415 RESID 40 (E): -1.601 ----- -0.325 0.272 0.491 0.120 RESID 41 (S): -1.753 ----- -1.467 -0.895 0.577 -0.159 RESID 42 (Q): 3.289 ----- -0.144 -2.052 0.573 -1.269 RESID 43 (P): ----- ----- -0.219 0.677 0.094 ----- RESID 44 (Q): 2.556 ----- -0.652 -1.474 2.843 2.582 RESID 45 (R): 8.178 ----- 0.511 0.071 -0.057 2.448 RESID 47 (V): ----- ----- 0.360 -0.271 -0.276 ----- RESID 48 (S): -1.978 ----- 1.912 -1.877 -1.103 -0.645 RESID 49 (T): 4.338 ----- -2.813 0.842 -0.348 -0.341 RESID 50 (S): -0.879 ----- -0.512 -2.914 -0.074 -0.126 RESID 51 (V): 5.426 ----- -2.843 -0.355 -0.235 0.210 RESID 52 (T): 0.847 ----- 3.376 0.475 0.491 -0.184 RESID 53 (L): 1.458 ----- 0.527 -0.749 0.846 -0.483 RESID 54 (T): 1.765 ----- -1.737 -0.671 ----- -0.100 RESID 55 (G): -3.965 ----- -0.459 0.236 ----- -1.308 RESID 56 (S): -1.016 ----- -1.253 1.813 2.191 -1.257 RESID 58 (L): ----- ----- 1.796 -0.279 -0.112 ----- RESID 59 (A): -0.721 ----- -0.293 0.752 -0.297 -0.302 RESID 60 (I): ----- ----- -1.534 0.154 0.470 ----- RESID 61 (D): -2.358 ----- 0.243 0.055 -0.015 0.002 RESID 62 (A): -3.062 ----- 2.690 -0.835 -1.639 0.097 RESID 63 (P): ----- ----- -2.107 0.610 -4.700 ----- RESID 64 (V): 3.837 ----- -0.911 -1.447 -0.791 0.436 RESID 65 (I): -4.229 ----- 1.084 -2.985 1.325 0.219 RESID 66 (A): 3.273 ----- -0.018 0.592 1.429 -0.440 RESID 67 (S): -5.039 ----- 2.240 -2.079 -2.433 0.250 RESID 68 (G): 5.663 ----- -1.607 2.089 ----- -1.117 RESID 69 (A): -3.688 ----- 2.670 -1.178 2.080 -0.819 RESID 70 (T): 5.436 ----- -2.709 -3.139 1.042 1.018 RESID 71 (T): -5.188 ----- -0.406 0.050 1.569 -0.802 RESID 72 (P): ----- ----- 0.965 -0.203 0.727 ----- RESID 73 (N): -4.603 ----- -1.628 0.740 -1.461 -0.707 RESID 74 (N): ----- ----- -1.167 5.004 0.350 ----- RESID 75 (R): -6.330 ----- -0.162 1.082 1.057 -0.285 RESID 76 (V): -10.292 ----- 0.050 -2.949 2.033 -0.833 RESID 77 (A): 5.897 ----- -1.080 -1.037 5.113 0.714 RESID 78 (D): 1.747 ----- 2.206 -0.942 0.364 0.428 RESID 79 (D): 0.852 ----- 0.284 1.083 0.881 -0.150 RESID 80 (Q): -4.370 ----- -1.182 -1.516 2.410 -0.181 RESID 81 (G): -0.003 ----- 0.855 0.948 ----- -0.645 RESID 82 (F): 0.605 ----- -0.435 -4.247 -2.610 0.306 RESID 83 (L): ----- ----- 0.965 0.363 -3.470 ----- RESID 84 (R): 0.304 ----- 0.764 3.459 1.645 -0.687 RESID 85 (Q): -2.618 ----- -2.692 0.204 -3.156 1.872 RESID 86 (W): -6.379 ----- -1.862 -5.136 -2.143 -1.959 RESID 87 (S): 3.936 ----- 1.450 0.509 ----- -1.281 RESID 88 (K): -3.933 ----- 0.171 0.463 -0.091 0.963 RESID 89 (V): 6.328 ----- 0.786 0.086 0.512 -0.661 RESID 90 (A): -0.449 ----- 1.051 1.323 1.319 0.648 RESID 91 (K): -0.449 ----- 3.009 0.984 -0.011 -0.283 RESID 92 (E): 5.055 ----- 1.492 2.276 -0.670 0.470 RESID 93 (R): -3.126 ----- 0.339 0.794 -1.526 -0.280 RESID 94 (K): 0.962 ----- 0.572 -0.626 -1.463 -0.663 RESID 95 (L): -1.798 ----- 0.370 0.909 1.182 0.061 RESID 96 (Q): 0.658 ----- -1.204 0.682 0.278 -0.871 RESID 97 (R): 6.466 ----- 0.573 -1.042 1.617 0.500 RESID 98 (L): 3.502 ----- -0.418 2.436 3.325 -0.469 RESID 99 (Y): -2.206 ----- -1.395 -0.777 -1.037 -1.360 RESID 100 (I): -6.235 ----- -0.334 -1.786 3.588 0.115 RESID 101 (G): 0.868 ----- -0.688 2.212 ----- -0.260 RESID 102 (E): 10.904 ----- -0.780 0.477 2.029 0.287 RESID 103 (P): ----- ----- -0.837 -1.382 -0.089 ----- RESID 104 (S): -5.250 ----- 0.173 -3.174 -0.091 -2.563 RESID 105 (A): 0.260 ----- 0.356 0.755 -0.900 0.328 RESID 106 (E): 0.338 ----- 0.436 1.234 -0.473 0.142 RESID 107 (A): -0.456 ----- 0.268 -0.339 0.766 -0.147 RESID 108 (V): -2.284 ----- -0.809 1.156 0.100 -0.471 RESID 109 (A): -1.649 ----- 1.849 0.539 -0.106 0.120 RESID 110 (A): -0.737 ----- 0.263 -0.251 -0.028 -0.315 RESID 111 (Q): -1.047 ----- -1.037 0.926 -0.236 -0.292 RESID 112 (M): -6.197 ----- 0.058 0.351 -1.451 -0.084 RESID 113 (P): ----- ----- 0.451 0.202 0.340 ----- RESID 114 (D): -2.141 ----- -0.015 -1.991 -2.070 0.612 RESID 115 (L): ----- ----- 0.597 -1.321 ----- ----- RESID 116 (I): -2.709 ----- ----- 0.188 ----- 1.311 RESID 118 (I): ----- ----- -1.040 0.460 1.158 ----- RESID 119 (S): -0.004 ----- 0.546 -0.539 0.686 1.021 RESID 120 (A): 1.571 ----- -0.532 -0.044 1.557 -0.569 RESID 121 (T): -4.034 ----- -0.146 -2.438 1.603 -0.228 RESID 122 (G): -6.601 ----- 3.060 -0.747 ----- 0.153 RESID 123 (G): ----- ----- -0.220 1.033 ----- ----- RESID 124 (D): -2.243 ----- 1.166 -0.590 0.070 0.893 RESID 125 (S): -4.030 ----- 1.720 0.098 0.108 -1.112 RESID 126 (A): 4.838 ----- -1.964 -2.372 -2.233 0.226 RESID 127 (L): -0.028 ----- 0.547 1.470 1.228 -0.796 RESID 128 (A): 3.440 ----- 0.779 0.831 -0.499 1.289 RESID 129 (L): 0.693 ----- -0.866 -1.281 -0.416 0.351 RESID 130 (Y): -0.831 ----- 0.390 1.422 1.056 -1.096 RESID 131 (D): 1.215 ----- -0.126 0.587 0.295 0.913 RESID 132 (Q): -1.042 ----- 0.202 0.335 0.558 -0.182 RESID 133 (L): -0.447 ----- -0.695 0.263 -0.820 -0.362 RESID 134 (S): -3.107 ----- -0.371 0.188 0.743 -0.346 RESID 135 (T): -4.873 ----- -1.304 -2.069 0.657 -0.607 RESID 136 (I): 3.905 ----- 0.240 -0.103 0.298 0.339 RESID 137 (A): 1.873 ----- -1.691 -0.096 -0.188 -0.439 RESID 138 (P): ----- ----- -1.499 1.081 0.094 ----- RESID 139 (T): 2.181 ----- -0.045 -1.567 1.829 -0.173 RESID 140 (L): ----- ----- 0.478 -0.677 0.400 ----- RESID 141 (I): -1.942 ----- 0.910 -0.820 0.842 1.394 RESID 142 (I): 2.237 ----- 0.429 -1.947 -2.577 0.015 RESID 143 (N): 5.028 ----- 0.429 -2.051 0.180 0.686 RESID 144 (Y): -6.060 ----- 1.762 -3.633 -0.217 0.237 RESID 145 (D): 0.795 ----- 1.787 -0.208 3.331 0.444 RESID 146 (D): 3.996 ----- 0.027 -0.374 -1.744 -1.053 RESID 147 (K): -5.774 ----- -0.278 -1.554 -1.716 -0.555 RESID 148 (S): -0.482 ----- -0.368 -0.039 0.706 0.234 RESID 149 (W): 1.797 ----- 2.065 1.351 -0.730 -0.113 RESID 150 (Q): 3.142 ----- 0.298 3.385 -1.223 1.607 RESID 151 (S): 1.113 ----- 0.595 0.511 0.565 0.058 RESID 152 (L): 2.438 ----- 0.559 0.373 0.277 0.072 RESID 153 (L): 0.600 ----- 1.033 1.429 -0.113 0.944 RESID 154 (T): 3.506 ----- 0.300 1.319 0.523 0.155 RESID 155 (Q): 3.511 ----- 1.199 1.374 0.263 0.292 RESID 156 (L): ----- ----- 1.637 0.628 -0.129 ----- RESID 157 (G): 5.798 ----- -0.559 1.795 ----- 1.222 RESID 158 (E): 4.852 ----- 0.650 1.270 0.316 0.021 RESID 160 (T): ----- ----- 2.309 -1.180 2.664 ----- RESID 161 (G): -0.240 ----- 0.462 1.242 ----- -0.874 RESID 162 (H): 5.041 ----- -2.154 -0.444 -2.984 0.675 RESID 163 (E): 1.744 ----- 2.329 1.447 -0.437 1.523 RESID 164 (K): 0.196 ----- -0.081 -0.469 0.309 0.398 RESID 165 (Q): 2.241 ----- 0.671 2.025 -0.258 -0.490 RESID 166 (A): -1.305 ----- -1.429 1.326 0.227 -0.062 RESID 167 (A): -3.050 ----- 1.884 -0.159 -0.304 -1.103 RESID 168 (E): 1.538 ----- 0.468 -0.009 0.455 0.315 RESID 170 (I): ----- ----- -0.013 1.567 1.356 ----- RESID 171 (A): -2.465 ----- 1.359 -0.351 0.149 -0.773 RESID 172 (Q): 2.559 ----- 0.616 0.708 -0.266 0.649 RESID 173 (F): -0.093 ----- -1.010 1.607 0.369 -0.352 RESID 174 (D): 0.886 ----- 1.413 0.537 -0.091 -0.271 RESID 175 (K): 1.083 ----- 1.162 -0.011 0.316 -0.053 RESID 176 (Q): 2.099 ----- 0.763 -0.478 -0.535 0.352 RESID 177 (L): 5.999 ----- -0.269 2.657 -0.162 1.210 RESID 178 (A): -1.059 ----- 1.363 0.194 0.085 -0.567 RESID 179 (A): -0.768 ----- 0.719 0.344 -0.408 0.046 RESID 180 (A): -0.018 ----- 0.094 0.751 -0.275 0.186 RESID 181 (K): 0.121 ----- -0.081 0.618 0.693 0.028 RESID 182 (E): -2.143 ----- -0.123 0.755 1.085 -0.578 RESID 183 (Q): -0.687 ----- 1.038 0.242 0.416 -0.167 RESID 184 (I): 1.952 ----- 0.960 3.262 0.333 0.300 RESID 185 (K): 4.779 ----- -0.025 -0.575 -2.906 0.834 RESID 186 (L): -1.040 ----- -0.215 2.358 0.368 -0.426 RESID 188 (P): ----- ----- -1.456 1.471 1.007 ----- RESID 189 (Q): 0.312 ----- 1.864 -2.390 0.948 -0.162 RESID 190 (P): ----- ----- -0.081 0.356 2.635 ----- RESID 191 (V): -8.994 ----- 0.342 0.215 0.333 0.698 RESID 192 (T): 7.366 ----- 0.209 3.489 0.299 0.138 RESID 193 (A): 9.883 ----- -0.004 -0.562 -0.300 1.610 RESID 194 (I): -2.120 ----- 2.897 -0.469 1.823 0.752 RESID 195 (V): -4.377 ----- 2.120 1.798 0.194 -0.151 RESID 196 (Y): 2.700 ----- 0.549 -0.408 1.067 1.006 RESID 197 (T): 1.469 ----- 0.938 0.110 -3.033 0.429 RESID 198 (A): -0.346 ----- 1.260 1.192 0.098 -0.313 RESID 199 (A): -4.735 ----- -1.034 -0.488 0.373 0.312 RESID 200 (A): -3.873 ----- -0.638 -0.817 1.338 -1.452 RESID 201 (H): 0.461 ----- -0.503 0.383 -0.418 -0.175 RESID 202 (S): -3.971 ----- 0.036 -1.083 -0.135 -0.695 RESID 203 (A): -2.997 ----- -0.384 -0.540 2.300 0.309 RESID 204 (N): 0.049 ----- -0.158 -0.550 -2.092 0.113 RESID 205 (L): 5.478 ----- 0.136 0.852 1.541 1.656 RESID 206 (W): 1.646 ----- 0.659 -0.749 -1.121 0.648 RESID 207 (T): 1.828 ----- 2.824 0.896 -1.846 -0.105 RESID 208 (P): ----- ----- -0.847 0.734 -0.221 ----- RESID 209 (E): -2.721 ----- 0.281 0.057 -0.386 -0.357 RESID 210 (S): 0.700 ----- -1.641 -1.117 2.837 0.229 RESID 211 (A): -2.186 ----- 0.747 0.100 -0.225 -0.138 RESID 212 (Q): 0.554 ----- -0.917 2.423 -0.331 0.018 RESID 213 (G): -0.139 ----- -0.922 0.687 ----- -0.228 RESID 214 (Q): -0.786 ----- 0.616 0.275 0.417 0.428 RESID 215 (M): -1.415 ----- -0.379 0.122 -0.794 -0.338 RESID 216 (L): -3.037 ----- 0.872 0.499 -1.444 -0.513 RESID 217 (E): 1.304 ----- 2.902 1.266 -0.269 0.160 RESID 218 (Q): 5.173 ----- -0.737 0.986 -0.263 0.532 RESID 219 (L): 0.880 ----- -2.272 -1.300 1.452 -0.342 RESID 220 (G): 1.875 ----- 1.803 0.057 ----- -0.411 RESID 221 (F): 0.385 ----- 1.110 1.903 -3.666 0.221 RESID 222 (T): 1.428 ----- 0.423 0.473 1.782 0.219 RESID 223 (L): 1.245 ----- 1.656 1.356 -1.157 1.054 RESID 224 (A): -1.273 ----- 1.538 1.478 -2.187 0.959 RESID 225 (K): 2.235 ----- 0.607 0.012 0.195 0.237 RESID 226 (L): -1.819 ----- -0.106 -0.532 0.466 0.116 RESID 227 (P): ----- ----- -0.257 -0.033 0.174 ----- RESID 228 (A): 0.075 ----- 1.046 0.734 0.009 -0.096 RESID 229 (G): 0.223 ----- -1.006 0.611 ----- 0.474 RESID 230 (L): -1.257 ----- -1.423 0.086 0.945 -0.434 RESID 231 (N): -0.434 ----- -0.600 -2.497 0.943 0.165 RESID 232 (A): 4.939 ----- 0.057 1.456 1.297 0.179 RESID 233 (S): -0.116 ----- -0.486 -1.786 0.941 -0.283 RESID 234 (Q): 1.523 ----- 0.680 0.166 -1.292 0.437 RESID 235 (S): -0.962 ----- 0.251 0.026 1.611 -0.211 RESID 236 (Q): -4.818 ----- 1.265 1.115 1.633 -0.494 RESID 237 (G): 1.375 ----- 1.141 0.249 ----- 0.798 RESID 238 (K): -1.016 ----- 1.099 0.506 0.560 -0.396 RESID 239 (R): -4.058 ----- ----- 0.192 0.656 -0.341 RESID 240 (H): ----- ----- -1.725 -3.043 -0.107 ----- RESID 241 (D): 0.581 ----- -1.581 -0.498 -0.675 0.657 RESID 242 (I): 0.250 ----- 1.215 -0.291 2.748 -0.322 RESID 243 (I): -0.836 ----- 1.033 -0.302 2.922 0.197 RESID 244 (Q): 0.888 ----- 1.051 1.532 -0.020 0.171 RESID 245 (L): 1.981 ----- -0.403 0.669 0.228 0.281 RESID 246 (G): 4.658 ----- -0.128 -0.437 ----- -0.018 RESID 247 (G): -0.145 ----- 1.820 3.145 ----- 0.933 RESID 248 (E): 2.569 ----- 0.771 1.086 0.023 0.462 RESID 249 (N): 0.434 ----- -0.477 -0.244 0.738 0.450 RESID 250 (L): 1.183 ----- -0.995 1.825 0.753 -0.672 RESID 251 (A): -5.052 ----- 1.336 0.683 -0.429 -0.169 RESID 252 (A): -1.176 ----- 0.782 1.615 0.001 -1.034 RESID 253 (G): -7.305 ----- -2.095 0.361 ----- 0.030 RESID 254 (L): 1.939 ----- -2.270 -1.845 -3.000 -0.582 RESID 255 (N): -7.743 ----- 0.349 -0.585 -1.228 -1.141 RESID 256 (G): 2.515 ----- -2.388 0.458 ----- -0.696 RESID 257 (E): 1.261 ----- 1.309 1.250 -0.817 -0.195 RESID 258 (S): -6.199 ----- 0.074 -0.527 2.558 -0.840 RESID 259 (L): -2.695 ----- -2.557 -0.738 3.878 0.928 RESID 260 (F): 0.709 ----- -1.832 1.515 1.055 1.161 RESID 261 (L): 3.819 ----- 0.521 0.820 -4.048 0.853 RESID 262 (F): 1.599 ----- -0.305 1.924 1.409 0.235 RESID 263 (A): -2.206 ----- -1.736 0.943 2.868 0.584 RESID 264 (G): -7.123 ----- -1.633 0.497 ----- -1.126 RESID 265 (D): -0.317 ----- 0.028 -1.128 0.602 0.931 RESID 266 (Q): -1.185 ----- 0.141 -0.443 -0.157 -0.325 RESID 267 (K): -1.060 ----- 2.322 -0.156 -0.343 -0.042 RESID 268 (D): 1.944 ----- -0.938 1.013 1.297 -0.459 RESID 269 (A): 0.217 ----- 0.589 0.716 -0.704 -0.255 RESID 270 (D): 0.279 ----- 2.787 1.258 -0.388 0.785 RESID 271 (A): 3.020 ----- 1.477 1.472 -1.024 0.538 RESID 272 (I): -120.447 ----- 1.352 -0.773 -2.420 -1.060 RESID 273 (Y): -0.685 ----- 0.220 2.810 1.947 0.219 RESID 274 (A): -3.240 ----- 0.024 -0.973 0.161 -0.343 RESID 275 (N): 1.651 ----- 1.685 -0.342 1.565 -0.759 RESID 276 (P): ----- ----- 0.401 -0.284 0.399 ----- RESID 277 (L): -0.706 ----- -0.909 -0.915 0.211 -0.148 RESID 278 (L): -1.467 ----- -1.256 -1.712 -0.338 -0.196 RESID 279 (A): -4.511 ----- -0.105 0.721 1.106 -1.238 RESID 280 (H): -3.689 ----- 0.297 -0.882 0.904 0.135 RESID 281 (L): 1.586 ----- 0.431 0.368 -1.459 -0.157 RESID 282 (P): ----- ----- -0.181 0.359 0.426 ----- RESID 283 (A): -3.214 ----- -0.831 0.431 1.308 -0.457 RESID 284 (V): -3.304 ----- 1.069 -0.253 1.733 -1.127 RESID 285 (Q): 0.754 ----- 0.341 0.701 0.474 0.750 RESID 286 (N): -1.389 ----- 0.636 0.428 -0.342 0.072 RESID 287 (K): 2.658 ----- -0.124 0.232 -0.953 0.027 RESID 288 (Q): 2.551 ----- -0.368 -1.868 -0.346 0.463 RESID 289 (V): 0.567 ----- -0.056 0.479 -1.392 -0.661 RESID 290 (Y): 1.001 ----- -0.271 0.177 -1.432 -0.372 RESID 291 (A): 4.930 ----- 1.529 1.204 -1.588 0.408 RESID 292 (L): 1.063 ----- -0.734 0.631 0.229 -0.577 RESID 293 (G): 3.631 ----- 3.439 0.665 ----- 0.576 RESID 294 (T): 1.058 ----- 0.389 0.068 -0.837 0.225 RESID 295 (E): 2.187 ----- 1.098 0.190 0.245 1.539 RESID 296 (T): -5.679 ----- -0.770 1.078 1.401 -0.847 RESID 297 (F): -1.585 ----- -1.385 0.690 -0.142 0.274 RESID 298 (R): -2.852 ----- 0.906 -1.584 1.326 -0.675 RESID 299 (L): -0.635 ----- 0.340 0.186 -2.312 0.466 RESID 300 (D): -0.178 ----- -2.203 -1.397 0.591 -1.068 RESID 301 (Y): -3.302 ----- -0.847 -1.671 0.034 -1.060 RESID 302 (Y): -3.545 ----- 3.098 1.133 -0.112 -0.776 RESID 303 (S): 3.547 ----- -0.266 -0.618 0.209 -0.077 RESID 304 (A): 1.270 ----- 0.965 1.078 0.077 1.008 RESID 305 (M): -1.442 ----- 0.417 -1.898 -1.036 -0.155 RESID 306 (Q): 0.487 ----- 0.162 0.519 -0.372 -0.237 RESID 308 (L): ----- ----- 0.215 0.274 0.408 ----- RESID 309 (D): 0.006 ----- 0.714 0.263 0.488 -0.078 RESID 310 (R): 1.104 ----- 0.171 -0.602 -0.331 0.862 RESID 311 (L): -0.729 ----- 0.063 0.274 0.502 0.181 RESID 312 (K): -2.253 ----- -0.413 0.071 -0.060 -0.252 RESID 313 (A): -1.243 ----- 1.315 0.620 -0.448 -0.325 RESID 314 (L): 0.358 ----- 0.967 -0.458 1.385 -0.708 DATA CS_STAT_INFO N RMS: 8.230 ppm Count: 256 Average Difference: 0.483 +/- 8.232 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.225 ppm Count: 281 Average Difference: -0.158 +/- 1.217 ppm DATA CS_STAT_INFO CA RMS: 1.346 ppm Count: 283 Average Difference: -0.095 +/- 1.345 ppm DATA CS_STAT_INFO CB RMS: 1.422 ppm Count: 260 Average Difference: -0.155 +/- 1.416 ppm DATA CS_STAT_INFO HN RMS: 0.716 ppm Count: 256 Average Difference: -0.017 +/- 0.717 ppm ############################################################################ For conformer 30: Atom Original Corrected SPARTA Difference RESID 25 (D): N 120.600 120.600 120.606 -0.006 RESID 25 (D): C 174.400 174.400 175.910 -1.510 RESID 25 (D): CA 55.230 55.230 53.091 2.139 RESID 25 (D): CB 41.340 41.340 41.861 -0.520 RESID 25 (D): H 8.275 8.275 8.219 0.056 RESID 26 (W): N 120.100 120.100 123.582 -3.482 RESID 26 (W): C 174.200 174.200 175.061 -0.861 RESID 26 (W): CA 55.330 55.330 54.937 0.393 RESID 26 (W): CB 31.090 31.090 27.827 3.263 RESID 26 (W): H 7.788 7.788 7.624 0.164 RESID 27 (P): C 175.900 175.900 175.910 -0.010 RESID 27 (P): CA 62.800 62.800 63.093 -0.293 RESID 27 (P): CB 37.260 37.260 32.322 4.938 RESID 28 (R): N 118.000 118.000 121.824 -3.824 RESID 28 (R): C 173.700 173.700 175.100 -1.400 RESID 28 (R): CA 55.160 55.160 54.417 0.743 RESID 28 (R): CB 33.430 33.430 32.677 0.753 RESID 28 (R): H 8.686 8.686 8.632 0.054 RESID 29 (Q): N 120.800 120.800 121.638 -0.838 RESID 29 (Q): C 175.500 175.500 174.907 0.593 RESID 29 (Q): CA 54.780 54.780 56.027 -1.247 RESID 29 (Q): CB 30.700 30.700 29.253 1.447 RESID 29 (Q): H 8.506 8.506 8.586 -0.080 RESID 30 (I): N 124.300 124.300 126.137 -1.837 RESID 30 (I): C 175.700 175.700 175.121 0.579 RESID 30 (I): CA 58.520 58.520 59.452 -0.932 RESID 30 (I): CB 40.680 40.680 41.146 -0.466 RESID 30 (I): H 9.002 9.002 7.916 1.086 RESID 31 (T): N 125.200 125.200 122.014 3.186 RESID 31 (T): C 174.400 174.400 173.660 0.740 RESID 31 (T): CA 62.150 62.150 63.477 -1.327 RESID 31 (T): CB 70.640 70.640 69.592 1.048 RESID 31 (T): H 8.989 8.989 8.402 0.587 RESID 32 (D): N 129.500 129.500 123.772 5.728 RESID 32 (D): C 177.400 177.400 175.947 1.453 RESID 32 (D): CA 52.630 52.630 51.844 0.786 RESID 32 (D): CB 42.950 42.950 43.435 -0.485 RESID 32 (D): H 9.389 9.389 7.974 1.415 RESID 33 (S): N 111.900 111.900 116.320 -4.420 RESID 33 (S): C 175.600 175.600 176.181 -0.581 RESID 33 (S): CA 60.920 60.920 60.470 0.450 RESID 33 (S): CB 63.430 63.430 63.816 -0.386 RESID 33 (S): H 8.075 8.075 8.288 -0.213 RESID 34 (R): N 120.600 120.600 122.984 -2.384 RESID 34 (R): C 176.100 176.100 176.731 -0.631 RESID 34 (R): CA 55.020 55.020 58.672 -3.652 RESID 34 (R): CB 30.850 30.850 30.688 0.162 RESID 34 (R): H 8.433 8.433 7.959 0.474 RESID 35 (G): N 108.900 108.900 103.732 5.168 RESID 35 (G): C 171.200 171.200 173.453 -2.253 RESID 35 (G): CA 45.060 45.060 45.567 -0.507 RESID 35 (G): H 7.837 7.837 8.596 -0.759 RESID 36 (T): N 116.300 116.300 116.189 0.111 RESID 36 (T): C 173.800 173.800 173.013 0.787 RESID 36 (T): CA 62.670 62.670 62.646 0.024 RESID 36 (T): CB 70.000 70.000 70.073 -0.073 RESID 36 (T): H 8.192 8.192 7.609 0.583 RESID 37 (H): N 125.800 125.800 125.322 0.478 RESID 37 (H): C 174.000 174.000 173.274 0.726 RESID 37 (H): CA 54.060 54.060 55.342 -1.282 RESID 37 (H): CB 31.020 31.020 33.014 -1.994 RESID 37 (H): H 8.986 8.986 8.627 0.359 RESID 38 (T): N 121.500 121.500 117.188 4.312 RESID 38 (T): C 174.200 174.200 172.819 1.381 RESID 38 (T): CA 63.190 63.190 61.071 2.119 RESID 38 (T): CB 70.080 70.080 71.314 -1.234 RESID 38 (T): H 9.101 9.101 7.515 1.586 RESID 39 (L): N 129.600 129.600 122.375 7.225 RESID 39 (L): C 176.900 176.900 176.809 0.091 RESID 39 (L): CA 53.990 53.990 53.468 0.522 RESID 39 (L): CB 43.160 43.160 44.094 -0.934 RESID 39 (L): H 9.145 9.145 8.698 0.447 RESID 40 (E): N 124.300 124.300 125.792 -1.492 RESID 40 (E): C 175.600 175.600 175.919 -0.319 RESID 40 (E): CA 59.420 59.420 59.147 0.273 RESID 40 (E): CB 30.710 30.710 30.224 0.486 RESID 40 (E): H 9.164 9.164 9.026 0.138 RESID 41 (S): N 108.300 108.300 110.163 -1.863 RESID 41 (S): C 171.700 171.700 173.196 -1.496 RESID 41 (S): CA 56.270 56.270 57.172 -0.902 RESID 41 (S): CB 65.420 65.420 64.815 0.605 RESID 41 (S): H 7.326 7.326 7.483 -0.157 RESID 42 (Q): N 123.900 123.900 120.585 3.315 RESID 42 (Q): C 174.600 174.600 174.750 -0.150 RESID 42 (Q): CA 53.730 53.730 55.759 -2.029 RESID 42 (Q): CB 28.470 28.470 27.914 0.556 RESID 42 (Q): H 7.339 7.339 8.607 -1.268 RESID 43 (P): C 176.300 176.300 176.679 -0.379 RESID 43 (P): CA 64.080 64.080 63.300 0.780 RESID 43 (P): CB 32.510 32.510 32.409 0.101 RESID 44 (Q): N 125.100 125.100 122.526 2.574 RESID 44 (Q): C 175.400 175.400 176.020 -0.620 RESID 44 (Q): CA 55.780 55.780 57.311 -1.531 RESID 44 (Q): CB 32.660 32.660 29.791 2.869 RESID 44 (Q): H 11.160 11.160 8.536 2.624 RESID 45 (R): N 125.700 125.700 117.406 8.294 RESID 45 (R): C 174.600 174.600 174.107 0.493 RESID 45 (R): CA 55.310 55.310 55.219 0.091 RESID 45 (R): CB 33.070 33.070 33.123 -0.053 RESID 45 (R): H 10.010 10.010 7.543 2.467 RESID 47 (V): C 174.700 174.700 174.351 0.349 RESID 47 (V): CA 60.970 60.970 61.244 -0.274 RESID 47 (V): CB 34.140 34.140 34.277 -0.137 RESID 48 (S): N 118.300 118.300 120.368 -2.068 RESID 48 (S): C 175.500 175.500 173.401 2.099 RESID 48 (S): CA 55.700 55.700 57.492 -1.792 RESID 48 (S): CB 64.750 64.750 65.880 -1.130 RESID 48 (S): H 7.852 7.852 8.443 -0.591 RESID 49 (T): N 116.800 116.800 111.543 5.257 RESID 49 (T): C 171.500 171.500 174.274 -2.774 RESID 49 (T): CA 62.400 62.400 61.508 0.893 RESID 49 (T): CB 69.320 69.320 69.564 -0.244 RESID 49 (T): H 8.283 8.283 8.383 -0.100 RESID 50 (S): N 116.200 116.200 116.736 -0.536 RESID 50 (S): C 174.600 174.600 175.144 -0.544 RESID 50 (S): CA 54.640 54.640 56.706 -2.066 RESID 50 (S): CB 64.000 64.000 63.992 0.008 RESID 50 (S): H 7.627 7.627 7.739 -0.112 RESID 51 (V): N 134.300 134.300 129.350 4.950 RESID 51 (V): C 175.100 175.100 177.828 -2.728 RESID 51 (V): CA 65.620 65.620 65.841 -0.221 RESID 51 (V): CB 31.790 31.790 31.892 -0.102 RESID 51 (V): H 9.218 9.218 9.045 0.173 RESID 52 (T): N 117.000 117.000 116.459 0.541 RESID 52 (T): C 179.700 179.700 176.532 3.168 RESID 52 (T): CA 67.390 67.390 66.235 1.155 RESID 52 (T): CB 69.130 69.130 68.597 0.532 RESID 52 (T): H 7.841 7.841 8.015 -0.174 RESID 53 (L): N 123.400 123.400 122.325 1.075 RESID 53 (L): C 178.700 178.700 178.392 0.308 RESID 53 (L): CA 57.460 57.460 58.222 -0.762 RESID 53 (L): CB 42.610 42.610 41.791 0.819 RESID 53 (L): H 8.092 8.092 8.648 -0.556 RESID 54 (T): N 117.500 117.500 115.719 1.781 RESID 54 (T): C 174.900 174.900 176.639 -1.739 RESID 54 (T): CA 67.070 67.070 67.736 -0.666 RESID 54 (T): H 8.039 8.039 8.127 -0.088 RESID 55 (G): N 105.500 105.500 109.214 -3.714 RESID 55 (G): C 175.600 175.600 175.801 -0.201 RESID 55 (G): CA 47.260 47.260 46.969 0.291 RESID 55 (G): H 6.591 6.591 7.859 -1.268 RESID 56 (S): N 117.000 117.000 117.768 -0.768 RESID 56 (S): C 175.600 175.600 176.759 -1.159 RESID 56 (S): CA 63.400 63.400 61.520 1.880 RESID 56 (S): CB 65.060 65.060 63.097 1.963 RESID 56 (S): H 6.709 6.709 7.949 -1.240 RESID 58 (L): C 181.200 181.200 179.435 1.765 RESID 58 (L): CA 57.480 57.480 57.761 -0.281 RESID 58 (L): CB 40.810 40.810 40.923 -0.113 RESID 59 (A): N 122.100 122.100 122.826 -0.726 RESID 59 (A): C 178.500 178.500 178.775 -0.275 RESID 59 (A): CA 55.540 55.540 54.801 0.739 RESID 59 (A): CB 18.440 18.440 18.756 -0.316 RESID 59 (A): H 7.797 7.797 8.133 -0.336 RESID 60 (I): C 172.700 172.700 174.244 -1.544 RESID 60 (I): CA 60.390 60.390 60.211 0.179 RESID 60 (I): CB 37.930 37.930 37.520 0.410 RESID 61 (D): N 116.200 116.200 118.685 -2.485 RESID 61 (D): C 174.800 174.800 174.562 0.238 RESID 61 (D): CA 55.850 55.850 55.805 0.045 RESID 61 (D): CB 38.930 38.930 38.980 -0.050 RESID 61 (D): H 7.736 7.736 7.742 -0.006 RESID 62 (A): N 118.900 118.900 122.109 -3.209 RESID 62 (A): C 176.800 176.800 174.107 2.693 RESID 62 (A): CA 50.040 50.040 50.873 -0.833 RESID 62 (A): CB 17.940 17.940 19.574 -1.634 RESID 62 (A): H 7.820 7.820 7.713 0.107 RESID 63 (P): C 173.600 173.600 175.714 -2.114 RESID 63 (P): CA 63.250 63.250 62.646 0.604 RESID 63 (P): CB 27.640 27.640 32.340 -4.700 RESID 64 (V): N 123.100 123.100 119.371 3.729 RESID 64 (V): C 174.800 174.800 175.712 -0.912 RESID 64 (V): CA 58.420 58.420 59.889 -1.470 RESID 64 (V): CB 33.300 33.300 34.074 -0.774 RESID 64 (V): H 8.299 8.299 7.862 0.437 RESID 65 (I): N 122.000 122.000 126.386 -4.386 RESID 65 (I): C 177.100 177.100 175.548 1.552 RESID 65 (I): CA 61.010 61.010 64.010 -2.999 RESID 65 (I): CB 39.480 39.480 38.210 1.270 RESID 65 (I): H 8.589 8.589 8.345 0.244 RESID 66 (A): N 120.700 120.700 116.431 4.269 RESID 66 (A): C 175.100 175.100 175.203 -0.103 RESID 66 (A): CA 51.300 51.300 50.645 0.655 RESID 66 (A): CB 22.980 22.980 21.524 1.456 RESID 66 (A): H 7.246 7.246 7.657 -0.411 RESID 67 (S): N 111.700 111.700 116.750 -5.050 RESID 67 (S): C 176.500 176.500 174.239 2.261 RESID 67 (S): CA 55.230 55.230 57.310 -2.080 RESID 67 (S): CB 65.300 65.300 67.726 -2.426 RESID 67 (S): H 8.561 8.561 8.320 0.241 RESID 68 (G): N 112.900 112.900 107.276 5.624 RESID 68 (G): C 171.000 171.000 172.618 -1.618 RESID 68 (G): CA 46.580 46.580 44.551 2.029 RESID 68 (G): H 7.604 7.604 8.713 -1.109 RESID 69 (A): N 122.300 122.300 126.002 -3.702 RESID 69 (A): C 177.900 177.900 175.174 2.726 RESID 69 (A): CA 51.280 51.280 52.424 -1.144 RESID 69 (A): CB 23.440 23.440 21.390 2.050 RESID 69 (A): H 7.402 7.402 8.229 -0.827 RESID 70 (T): N 119.600 119.600 113.884 5.716 RESID 70 (T): C 171.400 171.400 174.124 -2.724 RESID 70 (T): CA 58.150 58.150 61.279 -3.129 RESID 70 (T): CB 70.880 70.880 69.831 1.049 RESID 70 (T): H 9.171 9.171 8.078 1.093 RESID 71 (T): N 116.500 116.500 121.729 -5.229 RESID 71 (T): C 172.500 172.500 172.918 -0.418 RESID 71 (T): CA 61.680 61.680 61.627 0.053 RESID 71 (T): CB 70.490 70.490 68.944 1.546 RESID 71 (T): H 7.663 7.663 8.457 -0.794 RESID 72 (P): C 177.100 177.100 176.125 0.975 RESID 72 (P): CA 63.390 63.390 63.587 -0.197 RESID 72 (P): CB 32.940 32.940 32.205 0.735 RESID 73 (N): N 115.200 115.200 118.427 -3.227 RESID 73 (N): C 174.600 174.600 176.004 -1.404 RESID 73 (N): CA 54.570 54.570 54.179 0.390 RESID 73 (N): CB 37.020 37.020 38.554 -1.534 RESID 73 (N): H 7.990 7.990 8.678 -0.688 RESID 74 (N): C 175.800 175.800 176.986 -1.186 RESID 74 (N): CA 60.660 60.660 55.660 5.000 RESID 74 (N): CB 38.070 38.070 37.723 0.347 RESID 75 (R): N 114.600 114.600 120.953 -6.353 RESID 75 (R): C 177.400 177.400 177.556 -0.156 RESID 75 (R): CA 59.940 59.940 58.863 1.077 RESID 75 (R): CB 31.110 31.110 30.049 1.062 RESID 75 (R): H 8.049 8.049 8.333 -0.284 RESID 76 (V): N 107.100 107.100 117.317 -10.217 RESID 76 (V): C 176.000 176.000 175.944 0.056 RESID 76 (V): CA 61.110 61.110 64.053 -2.943 RESID 76 (V): CB 33.590 33.590 31.550 2.039 RESID 76 (V): H 7.356 7.356 8.180 -0.824 RESID 77 (A): N 126.900 126.900 121.049 5.851 RESID 77 (A): C 176.500 176.500 177.563 -1.063 RESID 77 (A): CA 51.390 51.390 52.415 -1.025 RESID 77 (A): CB 24.260 24.260 19.135 5.125 RESID 77 (A): H 7.873 7.873 7.156 0.717 RESID 78 (D): N 118.700 118.700 116.904 1.796 RESID 78 (D): C 178.100 178.100 175.888 2.212 RESID 78 (D): CA 51.970 51.970 52.906 -0.936 RESID 78 (D): CB 41.360 41.360 40.998 0.361 RESID 78 (D): H 8.607 8.607 8.176 0.431 RESID 79 (D): N 116.600 116.600 115.752 0.848 RESID 79 (D): C 176.400 176.400 176.118 0.282 RESID 79 (D): CA 56.030 56.030 54.962 1.068 RESID 79 (D): CB 40.100 40.100 39.236 0.863 RESID 79 (D): H 8.258 8.258 8.423 -0.165 RESID 80 (Q): N 117.200 117.200 121.570 -4.370 RESID 80 (Q): C 175.700 175.700 176.879 -1.179 RESID 80 (Q): CA 54.970 54.970 56.480 -1.510 RESID 80 (Q): CB 30.840 30.840 28.451 2.389 RESID 80 (Q): H 8.160 8.160 8.340 -0.180 RESID 81 (G): N 105.300 105.300 105.307 -0.007 RESID 81 (G): C 174.200 174.200 173.344 0.856 RESID 81 (G): CA 45.740 45.740 44.787 0.953 RESID 81 (G): H 7.419 7.419 8.065 -0.646 RESID 82 (F): N 121.700 121.700 121.071 0.629 RESID 82 (F): C 175.300 175.300 175.732 -0.432 RESID 82 (F): CA 52.530 52.530 56.779 -4.249 RESID 82 (F): CB 37.430 37.430 40.081 -2.651 RESID 82 (F): H 8.154 8.154 7.854 0.300 RESID 83 (L): C 178.400 178.400 177.419 0.981 RESID 83 (L): CA 55.550 55.550 55.201 0.349 RESID 83 (L): CB 38.480 38.480 41.970 -3.490 RESID 84 (R): N 119.000 119.000 118.635 0.365 RESID 84 (R): C 178.300 178.300 177.521 0.779 RESID 84 (R): CA 60.690 60.690 57.178 3.512 RESID 84 (R): CB 31.530 31.530 29.889 1.641 RESID 84 (R): H 7.746 7.746 8.426 -0.680 RESID 85 (Q): N 116.400 116.400 119.001 -2.601 RESID 85 (Q): C 174.700 174.700 177.369 -2.669 RESID 85 (Q): CA 58.200 58.200 58.000 0.200 RESID 85 (Q): CB 26.140 26.140 29.316 -3.176 RESID 85 (Q): H 9.838 9.838 7.974 1.864 RESID 86 (W): N 115.600 115.600 122.095 -6.495 RESID 86 (W): C 175.900 175.900 177.677 -1.777 RESID 86 (W): CA 55.320 55.320 60.421 -5.101 RESID 86 (W): CB 27.470 27.470 29.538 -2.068 RESID 86 (W): H 6.600 6.600 8.552 -1.952 RESID 87 (S): N 118.500 118.500 114.760 3.740 RESID 87 (S): C 177.300 177.300 175.842 1.458 RESID 87 (S): CA 62.340 62.340 61.737 0.603 RESID 87 (S): H 7.067 7.067 8.346 -1.279 RESID 88 (K): N 118.300 118.300 122.237 -3.937 RESID 88 (K): C 179.000 179.000 178.824 0.176 RESID 88 (K): CA 59.970 59.970 59.495 0.475 RESID 88 (K): CB 32.380 32.380 32.468 -0.088 RESID 88 (K): H 8.615 8.615 7.635 0.980 RESID 89 (V): N 120.600 120.600 114.234 6.366 RESID 89 (V): C 178.100 178.100 177.293 0.807 RESID 89 (V): CA 65.530 65.530 65.441 0.089 RESID 89 (V): CB 32.180 32.180 31.680 0.499 RESID 89 (V): H 7.089 7.089 7.785 -0.696 RESID 90 (A): N 120.700 120.700 121.094 -0.394 RESID 90 (A): C 180.000 180.000 178.908 1.092 RESID 90 (A): CA 55.490 55.490 54.105 1.385 RESID 90 (A): CB 19.130 19.130 17.703 1.427 RESID 90 (A): H 7.979 7.979 7.292 0.687 RESID 91 (K): N 117.600 117.600 118.012 -0.412 RESID 91 (K): C 180.900 180.900 177.862 3.038 RESID 91 (K): CA 59.830 59.830 58.824 1.006 RESID 91 (K): CB 32.700 32.700 32.703 -0.003 RESID 91 (K): H 7.844 7.844 8.101 -0.257 RESID 92 (E): N 122.300 122.300 117.244 5.056 RESID 92 (E): C 178.600 178.600 177.083 1.517 RESID 92 (E): CA 59.590 59.590 57.287 2.303 RESID 92 (E): CB 29.740 29.740 30.403 -0.663 RESID 92 (E): H 8.178 8.178 7.694 0.484 RESID 93 (R): N 115.300 115.300 118.452 -3.152 RESID 93 (R): C 175.000 175.000 174.687 0.313 RESID 93 (R): CA 56.320 56.320 55.528 0.792 RESID 93 (R): CB 29.390 29.390 30.913 -1.523 RESID 93 (R): H 7.776 7.776 8.041 -0.265 RESID 94 (K): N 116.800 116.800 115.041 1.759 RESID 94 (K): C 176.400 176.400 175.734 0.666 RESID 94 (K): CA 56.950 56.950 57.617 -0.667 RESID 94 (K): CB 28.870 28.870 30.318 -1.448 RESID 94 (K): H 7.697 7.697 8.404 -0.707 RESID 95 (L): N 120.600 120.600 121.686 -1.086 RESID 95 (L): C 177.200 177.200 176.906 0.294 RESID 95 (L): CA 56.710 56.710 55.968 0.742 RESID 95 (L): CB 43.480 43.480 42.469 1.011 RESID 95 (L): H 7.708 7.708 7.645 0.063 RESID 96 (Q): N 124.900 124.900 124.507 0.393 RESID 96 (Q): C 175.000 175.000 175.966 -0.966 RESID 96 (Q): CA 55.570 55.570 54.947 0.623 RESID 96 (Q): CB 30.080 30.080 29.755 0.325 RESID 96 (Q): H 7.526 7.526 8.408 -0.882 RESID 97 (R): N 126.000 126.000 119.562 6.438 RESID 97 (R): C 176.800 176.800 176.207 0.593 RESID 97 (R): CA 55.610 55.610 56.629 -1.019 RESID 97 (R): CB 31.840 31.840 30.217 1.623 RESID 97 (R): H 9.039 9.039 8.537 0.502 RESID 98 (L): N 126.500 126.500 123.005 3.495 RESID 98 (L): C 175.400 175.400 175.793 -0.393 RESID 98 (L): CA 56.610 56.610 54.162 2.448 RESID 98 (L): CB 47.140 47.140 43.824 3.316 RESID 98 (L): H 8.247 8.247 8.662 -0.415 RESID 99 (Y): N 110.000 110.000 111.957 -1.957 RESID 99 (Y): C 173.200 173.200 174.585 -1.385 RESID 99 (Y): CA 55.320 55.320 56.157 -0.837 RESID 99 (Y): CB 38.350 38.350 39.339 -0.989 RESID 99 (Y): H 6.465 6.465 7.815 -1.350 RESID 100 (I): N 120.000 120.000 126.173 -6.173 RESID 100 (I): C 176.800 176.800 177.151 -0.351 RESID 100 (I): CA 61.290 61.290 63.123 -1.833 RESID 100 (I): CB 39.980 39.980 36.417 3.563 RESID 100 (I): H 8.725 8.725 8.633 0.092 RESID 101 (G): N 114.800 114.800 113.900 0.900 RESID 101 (G): C 173.400 173.400 174.098 -0.698 RESID 101 (G): CA 47.030 47.030 44.828 2.202 RESID 101 (G): H 8.224 8.224 8.474 -0.250 RESID 102 (E): N 129.600 129.600 118.673 10.927 RESID 102 (E): C 173.700 173.700 174.475 -0.775 RESID 102 (E): CA 54.480 54.480 53.995 0.485 RESID 102 (E): CB 29.790 29.790 27.750 2.040 RESID 102 (E): H 8.294 8.294 8.001 0.293 RESID 103 (P): C 175.400 175.400 176.235 -0.835 RESID 103 (P): CA 62.040 62.040 63.429 -1.389 RESID 103 (P): CB 32.570 32.570 32.657 -0.087 RESID 104 (S): N 111.900 111.900 117.159 -5.259 RESID 104 (S): C 174.800 174.800 174.645 0.155 RESID 104 (S): CA 55.340 55.340 58.501 -3.161 RESID 104 (S): CB 64.330 64.330 64.389 -0.059 RESID 104 (S): H 5.412 5.412 7.974 -2.562 RESID 105 (A): N 130.200 130.200 129.976 0.224 RESID 105 (A): C 179.400 179.400 179.048 0.352 RESID 105 (A): CA 55.070 55.070 54.332 0.738 RESID 105 (A): CB 18.210 18.210 19.108 -0.898 RESID 105 (A): H 9.211 9.211 8.879 0.332 RESID 106 (E): N 119.800 119.800 119.424 0.376 RESID 106 (E): C 179.300 179.300 178.860 0.440 RESID 106 (E): CA 60.270 60.270 59.029 1.241 RESID 106 (E): CB 28.990 28.990 29.462 -0.472 RESID 106 (E): H 8.731 8.731 8.584 0.147 RESID 107 (A): N 121.600 121.600 122.115 -0.515 RESID 107 (A): C 180.100 180.100 179.742 0.358 RESID 107 (A): CA 54.650 54.650 54.934 -0.283 RESID 107 (A): CB 19.220 19.220 18.437 0.783 RESID 107 (A): H 7.682 7.682 7.828 -0.146 RESID 108 (V): N 116.600 116.600 118.551 -1.951 RESID 108 (V): C 177.700 177.700 178.504 -0.804 RESID 108 (V): CA 66.920 66.920 65.960 0.960 RESID 108 (V): CB 31.430 31.430 31.732 -0.302 RESID 108 (V): H 7.015 7.015 7.517 -0.502 RESID 109 (A): N 121.400 121.400 122.833 -1.433 RESID 109 (A): C 181.100 181.100 179.221 1.879 RESID 109 (A): CA 55.540 55.540 54.920 0.619 RESID 109 (A): CB 17.900 17.900 18.039 -0.139 RESID 109 (A): H 8.262 8.262 8.122 0.140 RESID 110 (A): N 118.800 118.800 119.545 -0.745 RESID 110 (A): C 178.900 178.900 178.643 0.257 RESID 110 (A): CA 54.300 54.300 54.548 -0.248 RESID 110 (A): CB 18.460 18.460 18.483 -0.023 RESID 110 (A): H 7.607 7.607 7.939 -0.332 RESID 111 (Q): N 113.500 113.500 114.584 -1.084 RESID 111 (Q): C 174.900 174.900 175.965 -1.065 RESID 111 (Q): CA 55.160 55.160 54.274 0.886 RESID 111 (Q): CB 28.450 28.450 28.610 -0.160 RESID 111 (Q): H 7.148 7.148 7.437 -0.289 RESID 112 (M): N 114.700 114.700 120.762 -6.062 RESID 112 (M): C 173.300 173.300 173.230 0.070 RESID 112 (M): CA 55.900 55.900 55.538 0.362 RESID 112 (M): CB 30.300 30.300 31.729 -1.429 RESID 112 (M): H 7.882 7.882 7.945 -0.063 RESID 113 (P): C 176.700 176.700 176.252 0.448 RESID 113 (P): CA 62.820 62.820 62.611 0.209 RESID 113 (P): CB 33.340 33.340 32.911 0.429 RESID 114 (D): N 115.800 115.800 117.969 -2.169 RESID 114 (D): C 175.900 175.900 175.984 -0.084 RESID 114 (D): CA 53.150 53.150 55.274 -2.124 RESID 114 (D): CB 40.990 40.990 42.787 -1.797 RESID 114 (D): H 8.850 8.850 8.228 0.622 RESID 115 (L): C 174.900 174.900 174.289 0.611 RESID 115 (L): CA 52.800 52.800 54.198 -1.398 RESID 116 (I): N 123.500 123.500 126.330 -2.830 RESID 116 (I): CA 60.270 60.270 60.362 -0.092 RESID 116 (I): H 9.340 9.340 7.997 1.343 RESID 118 (I): C 174.400 174.400 175.374 -0.974 RESID 118 (I): CA 60.250 60.250 59.812 0.438 RESID 118 (I): CB 42.610 42.610 41.608 1.002 RESID 119 (S): N 121.600 121.600 121.163 0.437 RESID 119 (S): C 175.700 175.700 175.096 0.604 RESID 119 (S): CA 57.150 57.150 57.748 -0.598 RESID 119 (S): CB 65.280 65.280 64.614 0.666 RESID 119 (S): H 9.575 9.575 8.539 1.036 RESID 120 (A): N 126.000 126.000 124.698 1.302 RESID 120 (A): C 176.900 176.900 177.402 -0.502 RESID 120 (A): CA 54.300 54.300 54.301 -0.001 RESID 120 (A): CB 20.530 20.530 19.123 1.407 RESID 120 (A): H 8.143 8.143 8.658 -0.515 RESID 121 (T): N 106.400 106.400 109.606 -3.206 RESID 121 (T): C 173.000 173.000 173.178 -0.178 RESID 121 (T): CA 59.450 59.450 61.901 -2.450 RESID 121 (T): CB 72.310 72.310 70.719 1.591 RESID 121 (T): H 7.617 7.617 7.793 -0.176 RESID 122 (G): N 104.200 104.200 110.885 -6.685 RESID 122 (G): C 177.200 177.200 174.100 3.100 RESID 122 (G): CA 44.430 44.430 45.208 -0.778 RESID 122 (G): H 7.998 7.998 7.800 0.198 RESID 123 (G): C 174.100 174.100 174.313 -0.213 RESID 123 (G): CA 46.710 46.710 45.667 1.043 RESID 124 (D): N 116.900 116.900 119.320 -2.420 RESID 124 (D): C 176.900 176.900 175.919 0.981 RESID 124 (D): CA 52.320 52.320 52.902 -0.582 RESID 124 (D): CB 40.690 40.690 40.643 0.047 RESID 124 (D): H 8.617 8.617 7.794 0.823 RESID 125 (S): N 115.100 115.100 119.195 -4.095 RESID 125 (S): C 176.900 176.900 175.247 1.653 RESID 125 (S): CA 58.750 58.750 58.677 0.073 RESID 125 (S): CB 64.190 64.190 64.053 0.137 RESID 125 (S): H 7.322 7.322 8.428 -1.106 RESID 126 (A): N 134.900 134.900 130.152 4.748 RESID 126 (A): C 176.700 176.700 178.655 -1.955 RESID 126 (A): CA 51.150 51.150 53.489 -2.339 RESID 126 (A): CB 16.850 16.850 19.087 -2.237 RESID 126 (A): H 8.837 8.837 8.586 0.251 RESID 127 (L): N 121.000 121.000 121.034 -0.034 RESID 127 (L): C 178.900 178.900 178.359 0.541 RESID 127 (L): CA 58.730 58.730 57.258 1.472 RESID 127 (L): CB 42.840 42.840 41.599 1.241 RESID 127 (L): H 7.353 7.353 8.151 -0.798 RESID 128 (A): N 121.600 121.600 118.217 3.383 RESID 128 (A): C 178.900 178.900 178.177 0.723 RESID 128 (A): CA 55.010 55.010 54.207 0.803 RESID 128 (A): CB 18.200 18.200 18.693 -0.493 RESID 128 (A): H 8.918 8.918 7.627 1.291 RESID 129 (L): N 116.800 116.800 116.208 0.592 RESID 129 (L): C 177.000 177.000 177.885 -0.885 RESID 129 (L): CA 53.930 53.930 55.186 -1.256 RESID 129 (L): CB 42.710 42.710 43.081 -0.371 RESID 129 (L): H 7.776 7.776 7.417 0.359 RESID 130 (Y): N 122.000 122.000 122.923 -0.923 RESID 130 (Y): C 177.100 177.100 176.794 0.306 RESID 130 (Y): CA 64.420 64.420 62.901 1.519 RESID 130 (Y): CB 39.470 39.470 38.422 1.048 RESID 130 (Y): H 7.891 7.891 8.990 -1.099 RESID 131 (D): N 119.000 119.000 117.843 1.157 RESID 131 (D): C 178.300 178.300 178.393 -0.093 RESID 131 (D): CA 58.040 58.040 57.434 0.606 RESID 131 (D): CB 39.660 39.660 39.365 0.295 RESID 131 (D): H 9.014 9.014 8.101 0.913 RESID 132 (Q): N 118.900 118.900 119.883 -0.983 RESID 132 (Q): C 179.100 179.100 178.824 0.276 RESID 132 (Q): CA 58.930 58.930 58.736 0.194 RESID 132 (Q): CB 29.320 29.320 28.744 0.577 RESID 132 (Q): H 7.814 7.814 7.955 -0.141 RESID 133 (L): N 119.700 119.700 120.039 -0.339 RESID 133 (L): C 177.900 177.900 178.615 -0.715 RESID 133 (L): CA 57.910 57.910 57.588 0.322 RESID 133 (L): CB 40.980 40.980 41.790 -0.810 RESID 133 (L): H 8.450 8.450 8.922 -0.472 RESID 134 (S): N 111.800 111.800 115.046 -3.246 RESID 134 (S): C 175.500 175.500 175.998 -0.498 RESID 134 (S): CA 61.160 61.160 60.839 0.321 RESID 134 (S): CB 63.450 63.450 62.651 0.799 RESID 134 (S): H 8.128 8.128 8.470 -0.342 RESID 135 (T): N 111.100 111.100 116.357 -5.257 RESID 135 (T): C 175.300 175.300 176.476 -1.176 RESID 135 (T): CA 63.230 63.230 65.273 -2.043 RESID 135 (T): CB 69.670 69.670 69.012 0.658 RESID 135 (T): H 6.953 6.953 7.591 -0.638 RESID 136 (I): N 124.400 124.400 120.431 3.969 RESID 136 (I): C 175.800 175.800 175.553 0.247 RESID 136 (I): CA 63.940 63.940 63.989 -0.049 RESID 136 (I): CB 38.870 38.870 38.514 0.356 RESID 136 (I): H 7.694 7.694 7.345 0.349 RESID 137 (A): N 120.500 120.500 118.547 1.953 RESID 137 (A): C 172.300 172.300 173.916 -1.616 RESID 137 (A): CA 50.470 50.470 50.623 -0.153 RESID 137 (A): CB 19.320 19.320 19.442 -0.122 RESID 137 (A): H 7.540 7.540 8.016 -0.476 RESID 138 (P): C 174.700 174.700 176.222 -1.522 RESID 138 (P): CA 64.700 64.700 63.487 1.212 RESID 138 (P): CB 31.610 31.610 31.589 0.021 RESID 139 (T): N 122.000 122.000 120.064 1.936 RESID 139 (T): C 173.900 173.900 173.993 -0.093 RESID 139 (T): CA 61.630 61.630 63.217 -1.587 RESID 139 (T): CB 71.540 71.540 69.657 1.883 RESID 139 (T): H 7.990 7.990 8.164 -0.174 RESID 140 (L): C 174.900 174.900 174.302 0.598 RESID 140 (L): CA 52.740 52.740 53.539 -0.799 RESID 140 (L): CB 46.680 46.680 45.925 0.755 RESID 141 (I): N 123.500 123.500 126.010 -2.510 RESID 141 (I): C 175.700 175.700 174.582 1.118 RESID 141 (I): CA 60.250 60.250 61.297 -1.047 RESID 141 (I): CB 39.590 39.590 38.432 1.157 RESID 141 (I): H 9.345 9.345 7.917 1.428 RESID 142 (I): N 129.000 129.000 127.095 1.905 RESID 142 (I): C 174.400 174.400 174.189 0.211 RESID 142 (I): CA 57.930 57.930 59.864 -1.934 RESID 142 (I): CB 39.690 39.690 42.008 -2.318 RESID 142 (I): H 9.030 9.030 8.851 0.179 RESID 143 (N): N 129.100 129.100 124.273 4.827 RESID 143 (N): C 174.700 174.700 174.218 0.482 RESID 143 (N): CA 51.390 51.390 53.273 -1.883 RESID 143 (N): CB 39.720 39.720 39.639 0.081 RESID 143 (N): H 9.388 9.388 8.664 0.724 RESID 144 (Y): N 119.900 119.900 126.047 -6.147 RESID 144 (Y): C 176.500 176.500 174.816 1.684 RESID 144 (Y): CA 55.820 55.820 59.566 -3.745 RESID 144 (Y): CB 39.120 39.120 39.234 -0.114 RESID 144 (Y): H 8.491 8.491 8.476 0.015 RESID 145 (D): N 125.200 125.200 124.416 0.784 RESID 145 (D): C 176.800 176.800 175.023 1.777 RESID 145 (D): CA 55.220 55.220 55.439 -0.219 RESID 145 (D): CB 43.120 43.120 39.772 3.348 RESID 145 (D): H 8.800 8.800 8.357 0.443 RESID 146 (D): N 119.100 119.100 114.956 4.144 RESID 146 (D): C 175.200 175.200 175.267 -0.067 RESID 146 (D): CA 53.230 53.230 53.618 -0.388 RESID 146 (D): CB 40.760 40.760 42.452 -1.692 RESID 146 (D): H 7.571 7.571 8.610 -1.038 RESID 147 (K): N 114.100 114.100 119.840 -5.740 RESID 147 (K): C 175.000 175.000 175.271 -0.271 RESID 147 (K): CA 54.070 54.070 55.621 -1.551 RESID 147 (K): CB 33.340 33.340 35.113 -1.773 RESID 147 (K): H 7.018 7.018 7.566 -0.548 RESID 148 (S): N 118.300 118.300 118.756 -0.456 RESID 148 (S): C 175.700 175.700 176.064 -0.364 RESID 148 (S): CA 57.120 57.120 57.161 -0.041 RESID 148 (S): CB 64.970 64.970 64.298 0.672 RESID 148 (S): H 8.709 8.709 8.489 0.220 RESID 149 (W): N 121.700 121.700 119.846 1.854 RESID 149 (W): C 179.300 179.300 177.237 2.063 RESID 149 (W): CA 59.890 59.890 58.561 1.329 RESID 149 (W): CB 27.660 27.660 28.403 -0.743 RESID 149 (W): H 8.779 8.779 8.892 -0.113 RESID 150 (Q): N 124.600 124.600 121.444 3.156 RESID 150 (Q): C 178.100 178.100 177.799 0.301 RESID 150 (Q): CA 61.660 61.660 58.273 3.387 RESID 150 (Q): CB 26.550 26.550 27.755 -1.205 RESID 150 (Q): H 8.369 8.369 6.754 1.615 RESID 151 (S): N 117.500 117.500 116.166 1.334 RESID 151 (S): C 177.500 177.500 177.002 0.498 RESID 151 (S): CA 61.760 61.760 61.159 0.601 RESID 151 (S): CB 63.360 63.360 62.767 0.593 RESID 151 (S): H 7.769 7.769 7.774 -0.005 RESID 152 (L): N 125.200 125.200 122.902 2.298 RESID 152 (L): C 178.700 178.700 178.119 0.581 RESID 152 (L): CA 58.320 58.320 57.933 0.387 RESID 152 (L): CB 41.980 41.980 41.689 0.291 RESID 152 (L): H 8.460 8.460 8.392 0.068 RESID 153 (L): N 119.200 119.200 118.627 0.573 RESID 153 (L): C 179.700 179.700 178.661 1.039 RESID 153 (L): CA 58.960 58.960 57.528 1.432 RESID 153 (L): CB 41.270 41.270 41.370 -0.100 RESID 153 (L): H 8.562 8.562 7.624 0.938 RESID 154 (T): N 116.300 116.300 112.807 3.493 RESID 154 (T): C 177.200 177.200 176.894 0.306 RESID 154 (T): CA 67.290 67.290 65.981 1.309 RESID 154 (T): CB 68.640 68.640 68.115 0.525 RESID 154 (T): H 8.004 8.004 7.841 0.163 RESID 155 (Q): N 124.500 124.500 121.008 3.492 RESID 155 (Q): C 179.200 179.200 178.014 1.186 RESID 155 (Q): CA 59.710 59.710 58.345 1.365 RESID 155 (Q): CB 28.620 28.620 28.363 0.258 RESID 155 (Q): H 8.230 8.230 7.934 0.296 RESID 156 (L): C 180.900 180.900 179.262 1.638 RESID 156 (L): CA 57.540 57.540 56.921 0.619 RESID 156 (L): CB 41.710 41.710 41.840 -0.130 RESID 157 (G): N 112.800 112.800 106.986 5.814 RESID 157 (G): C 174.500 174.500 175.051 -0.551 RESID 157 (G): CA 48.300 48.300 46.514 1.786 RESID 157 (G): H 9.216 9.216 8.009 1.207 RESID 158 (E): N 123.500 123.500 118.684 4.816 RESID 158 (E): C 177.800 177.800 177.171 0.629 RESID 158 (E): CA 59.120 59.120 57.877 1.242 RESID 158 (E): CB 29.700 29.700 29.389 0.311 RESID 158 (E): H 7.480 7.480 7.455 0.025 RESID 160 (T): C 178.300 178.300 176.004 2.296 RESID 160 (T): CA 61.930 61.930 63.093 -1.163 RESID 160 (T): CB 71.830 71.830 69.185 2.645 RESID 161 (G): N 113.600 113.600 113.922 -0.322 RESID 161 (G): C 174.600 174.600 174.181 0.419 RESID 161 (G): CA 48.130 48.130 46.872 1.258 RESID 161 (G): H 8.114 8.114 8.994 -0.880 RESID 162 (H): N 121.000 121.000 116.206 4.794 RESID 162 (H): C 174.000 174.000 176.191 -2.191 RESID 162 (H): CA 55.370 55.370 55.882 -0.512 RESID 162 (H): CB 28.280 28.280 31.242 -2.962 RESID 162 (H): H 8.506 8.506 7.836 0.670 RESID 163 (E): N 123.900 123.900 122.149 1.751 RESID 163 (E): C 180.800 180.800 178.478 2.322 RESID 163 (E): CA 61.160 61.160 59.764 1.396 RESID 163 (E): CB 28.720 28.720 29.137 -0.417 RESID 163 (E): H 10.300 10.300 8.767 1.533 RESID 164 (K): N 120.600 120.600 120.343 0.257 RESID 164 (K): C 178.700 178.700 178.795 -0.095 RESID 164 (K): CA 59.590 59.590 60.047 -0.457 RESID 164 (K): CB 32.280 32.280 31.972 0.308 RESID 164 (K): H 8.789 8.789 8.389 0.400 RESID 165 (Q): N 119.500 119.500 117.327 2.173 RESID 165 (Q): C 178.800 178.800 178.137 0.663 RESID 165 (Q): CA 60.870 60.870 58.844 2.026 RESID 165 (Q): CB 28.120 28.120 28.388 -0.268 RESID 165 (Q): H 8.058 8.058 8.536 -0.478 RESID 166 (A): N 121.100 121.100 122.437 -1.337 RESID 166 (A): C 178.000 178.000 179.426 -1.426 RESID 166 (A): CA 56.280 56.280 54.966 1.314 RESID 166 (A): CB 18.300 18.300 18.077 0.223 RESID 166 (A): H 7.873 7.873 8.100 -0.227 RESID 167 (A): N 117.900 117.900 120.925 -3.025 RESID 167 (A): C 181.500 181.500 179.616 1.884 RESID 167 (A): CA 55.100 55.100 55.249 -0.150 RESID 167 (A): CB 17.860 17.860 18.173 -0.313 RESID 167 (A): H 7.642 7.642 8.744 -1.102 RESID 168 (E): N 120.100 120.100 118.587 1.513 RESID 168 (E): C 179.600 179.600 179.130 0.470 RESID 168 (E): CA 59.610 59.610 59.613 -0.003 RESID 168 (E): CB 29.790 29.790 29.342 0.448 RESID 168 (E): H 8.230 8.230 7.914 0.316 RESID 170 (I): C 177.700 177.700 177.685 0.015 RESID 170 (I): CA 66.880 66.880 65.297 1.583 RESID 170 (I): CB 39.310 39.310 37.954 1.356 RESID 171 (A): N 120.700 120.700 123.178 -2.478 RESID 171 (A): C 181.200 181.200 179.834 1.366 RESID 171 (A): CA 55.290 55.290 55.639 -0.349 RESID 171 (A): CB 18.260 18.260 18.108 0.152 RESID 171 (A): H 8.000 8.000 8.775 -0.775 RESID 172 (Q): N 120.600 120.600 118.033 2.567 RESID 172 (Q): C 179.200 179.200 178.582 0.618 RESID 172 (Q): CA 59.210 59.210 58.513 0.697 RESID 172 (Q): CB 28.340 28.340 28.595 -0.255 RESID 172 (Q): H 8.585 8.585 7.947 0.638 RESID 173 (F): N 122.500 122.500 122.618 -0.118 RESID 173 (F): C 176.400 176.400 177.418 -1.018 RESID 173 (F): CA 62.710 62.710 61.123 1.587 RESID 173 (F): CB 39.490 39.490 39.123 0.367 RESID 173 (F): H 8.457 8.457 8.738 -0.281 RESID 174 (D): N 121.000 121.000 120.111 0.889 RESID 174 (D): C 180.300 180.300 178.888 1.412 RESID 174 (D): CA 58.040 58.040 57.498 0.542 RESID 174 (D): CB 40.160 40.160 40.253 -0.093 RESID 174 (D): H 8.771 8.771 9.032 -0.261 RESID 175 (K): N 121.300 121.300 120.208 1.092 RESID 175 (K): C 179.800 179.800 178.634 1.166 RESID 175 (K): CA 59.630 59.630 59.633 -0.003 RESID 175 (K): CB 32.710 32.710 32.398 0.312 RESID 175 (K): H 8.125 8.125 8.209 -0.084 RESID 176 (Q): N 121.600 121.600 119.497 2.103 RESID 176 (Q): C 179.100 179.100 178.332 0.768 RESID 176 (Q): CA 58.460 58.460 58.935 -0.475 RESID 176 (Q): CB 27.990 27.990 28.525 -0.535 RESID 176 (Q): H 8.164 8.164 7.825 0.339 RESID 177 (L): N 125.600 125.600 119.596 6.004 RESID 177 (L): C 178.400 178.400 178.667 -0.267 RESID 177 (L): CA 59.890 59.890 57.236 2.654 RESID 177 (L): CB 41.200 41.200 41.356 -0.156 RESID 177 (L): H 8.944 8.944 7.742 1.202 RESID 178 (A): N 121.500 121.500 122.571 -1.071 RESID 178 (A): C 180.600 180.600 179.225 1.375 RESID 178 (A): CA 55.390 55.390 55.197 0.193 RESID 178 (A): CB 17.970 17.970 17.875 0.095 RESID 178 (A): H 7.690 7.690 8.227 -0.537 RESID 179 (A): N 120.200 120.200 120.979 -0.779 RESID 179 (A): C 180.600 180.600 179.890 0.710 RESID 179 (A): CA 54.860 54.860 54.525 0.335 RESID 179 (A): CB 18.190 18.190 18.594 -0.404 RESID 179 (A): H 7.706 7.706 7.645 0.061 RESID 180 (A): N 121.800 121.800 121.838 -0.038 RESID 180 (A): C 179.200 179.200 179.104 0.096 RESID 180 (A): CA 55.490 55.490 54.742 0.748 RESID 180 (A): CB 17.920 17.920 18.184 -0.264 RESID 180 (A): H 8.171 8.171 7.989 0.182 RESID 181 (K): N 118.100 118.100 117.943 0.157 RESID 181 (K): C 178.000 178.000 178.074 -0.074 RESID 181 (K): CA 59.830 59.830 59.218 0.612 RESID 181 (K): CB 33.340 33.340 32.637 0.703 RESID 181 (K): H 8.342 8.342 8.333 0.009 RESID 182 (E): N 114.400 114.400 116.555 -2.155 RESID 182 (E): C 177.300 177.300 177.454 -0.154 RESID 182 (E): CA 57.870 57.870 57.128 0.742 RESID 182 (E): CB 30.320 30.320 29.255 1.065 RESID 182 (E): H 7.153 7.153 7.744 -0.591 RESID 183 (Q): N 116.700 116.700 117.388 -0.688 RESID 183 (Q): C 177.200 177.200 176.182 1.018 RESID 183 (Q): CA 57.060 57.060 56.835 0.225 RESID 183 (Q): CB 31.550 31.550 31.125 0.425 RESID 183 (Q): H 7.458 7.458 7.644 -0.186 RESID 184 (I): N 117.800 117.800 115.854 1.946 RESID 184 (I): C 175.200 175.200 174.243 0.957 RESID 184 (I): CA 63.000 63.000 59.745 3.255 RESID 184 (I): CB 40.300 40.300 39.959 0.341 RESID 184 (I): H 7.723 7.723 7.433 0.290 RESID 185 (K): N 127.700 127.700 122.978 4.722 RESID 185 (K): C 175.600 175.600 175.624 -0.024 RESID 185 (K): CA 54.550 54.550 55.122 -0.572 RESID 185 (K): CB 31.600 31.600 34.499 -2.899 RESID 185 (K): H 8.743 8.743 7.915 0.828 RESID 186 (L): N 124.700 124.700 125.753 -1.053 RESID 186 (L): C 175.700 175.700 175.913 -0.213 RESID 186 (L): CA 54.240 54.240 51.871 2.369 RESID 186 (L): CB 41.050 41.050 40.666 0.384 RESID 186 (L): H 8.051 8.051 8.474 -0.423 RESID 188 (P): C 174.800 174.800 176.257 -1.457 RESID 188 (P): CA 65.060 65.060 63.588 1.472 RESID 188 (P): CB 32.670 32.670 31.661 1.009 RESID 189 (Q): N 121.300 121.300 120.589 0.711 RESID 189 (Q): C 174.800 174.800 173.098 1.702 RESID 189 (Q): CA 52.330 52.330 54.723 -2.393 RESID 189 (Q): CB 31.350 31.350 30.421 0.929 RESID 189 (Q): H 8.061 8.061 8.231 -0.170 RESID 190 (P): C 175.500 175.500 175.571 -0.071 RESID 190 (P): CA 62.820 62.820 62.325 0.495 RESID 190 (P): CB 35.450 35.450 32.647 2.803 RESID 191 (V): N 112.600 112.600 121.530 -8.930 RESID 191 (V): C 174.300 174.300 173.958 0.342 RESID 191 (V): CA 59.740 59.740 59.523 0.217 RESID 191 (V): CB 35.030 35.030 34.697 0.333 RESID 191 (V): H 9.214 9.214 8.535 0.679 RESID 192 (T): N 120.700 120.700 113.334 7.366 RESID 192 (T): C 172.300 172.300 172.084 0.216 RESID 192 (T): CA 63.030 63.030 59.528 3.502 RESID 192 (T): CB 71.550 71.550 71.248 0.302 RESID 192 (T): H 8.462 8.462 8.344 0.118 RESID 193 (A): N 132.900 132.900 122.974 9.926 RESID 193 (A): C 175.400 175.400 175.400 0.000 RESID 193 (A): CA 50.570 50.570 51.142 -0.571 RESID 193 (A): CB 21.140 21.140 21.448 -0.308 RESID 193 (A): H 10.170 10.170 8.558 1.612 RESID 194 (I): N 115.400 115.400 117.494 -2.094 RESID 194 (I): C 176.600 176.600 173.694 2.906 RESID 194 (I): CA 59.540 59.540 60.005 -0.465 RESID 194 (I): CB 43.930 43.930 42.116 1.814 RESID 194 (I): H 9.269 9.269 8.524 0.745 RESID 195 (V): N 118.500 118.500 122.807 -4.307 RESID 195 (V): C 176.200 176.200 174.067 2.133 RESID 195 (V): CA 63.190 63.190 61.384 1.806 RESID 195 (V): CB 34.870 34.870 34.681 0.189 RESID 195 (V): H 8.484 8.484 8.653 -0.169 RESID 196 (Y): N 132.200 132.200 129.491 2.709 RESID 196 (Y): C 174.700 174.700 174.149 0.551 RESID 196 (Y): CA 57.000 57.000 57.413 -0.412 RESID 196 (Y): CB 41.250 41.250 40.208 1.042 RESID 196 (Y): H 9.989 9.989 8.983 1.006 RESID 197 (T): N 124.900 124.900 123.404 1.496 RESID 197 (T): C 174.300 174.300 173.366 0.934 RESID 197 (T): CA 60.740 60.740 60.641 0.100 RESID 197 (T): CB 68.560 68.560 71.606 -3.046 RESID 197 (T): H 8.262 8.262 7.836 0.426 RESID 198 (A): N 130.500 130.500 130.823 -0.323 RESID 198 (A): C 180.400 180.400 179.178 1.222 RESID 198 (A): CA 55.510 55.510 54.329 1.181 RESID 198 (A): CB 18.480 18.480 18.396 0.084 RESID 198 (A): H 8.524 8.524 8.852 -0.328 RESID 199 (A): N 118.700 118.700 123.477 -4.777 RESID 199 (A): C 177.700 177.700 178.722 -1.022 RESID 199 (A): CA 54.350 54.350 54.849 -0.499 RESID 199 (A): CB 18.350 18.350 17.968 0.382 RESID 199 (A): H 8.578 8.578 8.278 0.300 RESID 200 (A): N 116.700 116.700 120.538 -3.838 RESID 200 (A): C 176.600 176.600 177.239 -0.639 RESID 200 (A): CA 51.290 51.290 52.080 -0.790 RESID 200 (A): CB 20.180 20.180 18.857 1.323 RESID 200 (A): H 6.638 6.638 8.095 -1.457 RESID 201 (H): N 116.900 116.900 116.488 0.412 RESID 201 (H): C 172.900 172.900 173.407 -0.507 RESID 201 (H): CA 56.710 56.710 56.342 0.368 RESID 201 (H): CB 27.820 27.820 28.242 -0.422 RESID 201 (H): H 7.569 7.569 7.758 -0.189 RESID 202 (S): N 110.500 110.500 114.470 -3.970 RESID 202 (S): C 171.500 171.500 171.447 0.053 RESID 202 (S): CA 56.530 56.530 57.585 -1.055 RESID 202 (S): CB 66.170 66.170 66.286 -0.116 RESID 202 (S): H 7.109 7.109 7.811 -0.702 RESID 203 (A): N 120.900 120.900 123.884 -2.984 RESID 203 (A): C 174.900 174.900 175.289 -0.389 RESID 203 (A): CA 50.890 50.890 51.409 -0.519 RESID 203 (A): CB 24.510 24.510 22.191 2.319 RESID 203 (A): H 8.618 8.618 8.305 0.313 RESID 204 (N): N 118.900 118.900 118.842 0.058 RESID 204 (N): C 173.300 173.300 173.446 -0.146 RESID 204 (N): CA 51.520 51.520 52.065 -0.545 RESID 204 (N): CB 40.080 40.080 42.191 -2.111 RESID 204 (N): H 8.333 8.333 8.234 0.099 RESID 205 (L): N 127.200 127.200 121.666 5.534 RESID 205 (L): C 175.700 175.700 175.561 0.139 RESID 205 (L): CA 54.920 54.920 54.057 0.862 RESID 205 (L): CB 44.180 44.180 42.678 1.502 RESID 205 (L): H 9.265 9.265 7.613 1.652 RESID 206 (W): N 125.300 125.300 123.642 1.658 RESID 206 (W): C 177.100 177.100 176.450 0.650 RESID 206 (W): CA 56.630 56.630 57.379 -0.749 RESID 206 (W): CB 29.690 29.690 30.823 -1.133 RESID 206 (W): H 8.560 8.560 7.916 0.644 RESID 207 (T): N 112.000 112.000 110.220 1.780 RESID 207 (T): C 176.100 176.100 173.279 2.821 RESID 207 (T): CA 60.120 60.120 59.236 0.883 RESID 207 (T): CB 68.540 68.540 70.391 -1.851 RESID 207 (T): H 8.029 8.029 8.137 -0.108 RESID 208 (P): C 176.000 176.000 176.850 -0.850 RESID 208 (P): CA 66.120 66.120 65.388 0.732 RESID 208 (P): CB 31.950 31.950 32.168 -0.218 RESID 209 (E): N 112.300 112.300 115.061 -2.761 RESID 209 (E): C 177.100 177.100 176.808 0.292 RESID 209 (E): CA 57.280 57.280 57.220 0.060 RESID 209 (E): CB 29.760 29.760 30.145 -0.385 RESID 209 (E): H 7.612 7.612 7.972 -0.360 RESID 210 (S): N 115.800 115.800 115.071 0.729 RESID 210 (S): C 173.900 173.900 175.534 -1.634 RESID 210 (S): CA 58.060 58.060 59.143 -1.083 RESID 210 (S): CB 67.320 67.320 64.471 2.849 RESID 210 (S): H 7.654 7.654 7.433 0.221 RESID 211 (A): N 125.200 125.200 127.308 -2.108 RESID 211 (A): C 180.600 180.600 179.855 0.745 RESID 211 (A): CA 55.410 55.410 55.309 0.101 RESID 211 (A): CB 18.530 18.530 18.760 -0.230 RESID 211 (A): H 8.874 8.874 9.019 -0.145 RESID 212 (Q): N 119.200 119.200 118.634 0.566 RESID 212 (Q): C 177.100 177.100 178.016 -0.916 RESID 212 (Q): CA 61.410 61.410 58.970 2.440 RESID 212 (Q): CB 27.090 27.090 27.419 -0.329 RESID 212 (Q): H 8.493 8.493 8.478 0.015 RESID 213 (G): N 107.500 107.500 107.634 -0.134 RESID 213 (G): C 175.400 175.400 176.316 -0.916 RESID 213 (G): CA 47.520 47.520 46.830 0.691 RESID 213 (G): H 8.053 8.053 8.302 -0.249 RESID 214 (Q): N 120.700 120.700 121.465 -0.765 RESID 214 (Q): C 179.000 179.000 178.386 0.614 RESID 214 (Q): CA 59.150 59.150 58.860 0.290 RESID 214 (Q): CB 29.110 29.110 28.693 0.417 RESID 214 (Q): H 8.501 8.501 8.064 0.437 RESID 215 (M): N 119.200 119.200 120.633 -1.433 RESID 215 (M): C 177.800 177.800 178.181 -0.381 RESID 215 (M): CA 59.760 59.760 59.654 0.106 RESID 215 (M): CB 32.050 32.050 32.855 -0.805 RESID 215 (M): H 7.878 7.878 8.170 -0.292 RESID 216 (L): N 115.800 115.800 118.803 -3.003 RESID 216 (L): C 179.900 179.900 179.035 0.865 RESID 216 (L): CA 58.160 58.160 57.650 0.510 RESID 216 (L): CB 40.010 40.010 41.453 -1.443 RESID 216 (L): H 7.517 7.517 7.984 -0.467 RESID 217 (E): N 121.000 121.000 119.668 1.332 RESID 217 (E): C 182.200 182.200 179.250 2.950 RESID 217 (E): CA 60.210 60.210 58.922 1.288 RESID 217 (E): CB 29.150 29.150 29.422 -0.272 RESID 217 (E): H 8.377 8.377 8.171 0.206 RESID 218 (Q): N 122.300 122.300 117.189 5.111 RESID 218 (Q): C 178.100 178.100 178.787 -0.687 RESID 218 (Q): CA 59.220 59.220 58.254 0.966 RESID 218 (Q): CB 28.850 28.850 29.098 -0.248 RESID 218 (Q): H 8.464 8.464 7.918 0.546 RESID 219 (L): N 118.400 118.400 117.404 0.996 RESID 219 (L): C 175.200 175.200 177.450 -2.250 RESID 219 (L): CA 55.880 55.880 57.181 -1.301 RESID 219 (L): CB 44.330 44.330 42.910 1.420 RESID 219 (L): H 7.433 7.433 7.746 -0.313 RESID 220 (G): N 104.600 104.600 102.699 1.901 RESID 220 (G): C 174.700 174.700 172.926 1.774 RESID 220 (G): CA 44.750 44.750 44.687 0.063 RESID 220 (G): H 7.777 7.777 8.160 -0.383 RESID 221 (F): N 119.100 119.100 118.927 0.173 RESID 221 (F): C 175.200 175.200 174.345 0.855 RESID 221 (F): CA 57.900 57.900 55.958 1.942 RESID 221 (F): CB 38.930 38.930 42.792 -3.862 RESID 221 (F): H 8.001 8.001 7.772 0.229 RESID 222 (T): N 117.600 117.600 116.014 1.586 RESID 222 (T): C 173.900 173.900 173.379 0.521 RESID 222 (T): CA 61.790 61.790 61.228 0.562 RESID 222 (T): CB 71.360 71.360 69.774 1.586 RESID 222 (T): H 8.961 8.961 8.564 0.397 RESID 223 (L): N 128.300 128.300 127.105 1.195 RESID 223 (L): C 178.300 178.300 176.628 1.672 RESID 223 (L): CA 54.760 54.760 53.412 1.348 RESID 223 (L): CB 41.600 41.600 42.731 -1.131 RESID 223 (L): H 9.269 9.269 8.207 1.062 RESID 224 (A): N 126.800 126.800 128.091 -1.291 RESID 224 (A): C 177.400 177.400 175.861 1.539 RESID 224 (A): CA 52.460 52.460 50.988 1.472 RESID 224 (A): CB 18.650 18.650 20.832 -2.182 RESID 224 (A): H 9.077 9.077 8.106 0.971 RESID 225 (K): N 123.400 123.400 121.188 2.212 RESID 225 (K): C 176.800 176.800 176.193 0.607 RESID 225 (K): CA 55.600 55.600 55.578 0.022 RESID 225 (K): CB 33.080 33.080 32.896 0.184 RESID 225 (K): H 8.601 8.601 8.364 0.237 RESID 226 (L): N 126.200 126.200 128.009 -1.809 RESID 226 (L): C 175.500 175.500 175.607 -0.107 RESID 226 (L): CA 53.420 53.420 53.966 -0.546 RESID 226 (L): CB 41.720 41.720 41.251 0.469 RESID 226 (L): H 8.634 8.634 8.520 0.114 RESID 227 (P): C 176.800 176.800 177.065 -0.265 RESID 227 (P): CA 62.860 62.860 62.886 -0.026 RESID 227 (P): CB 32.360 32.360 32.190 0.171 RESID 228 (A): N 124.900 124.900 124.837 0.063 RESID 228 (A): C 179.500 179.500 178.487 1.013 RESID 228 (A): CA 54.120 54.120 53.413 0.707 RESID 228 (A): CB 18.710 18.710 18.704 0.006 RESID 228 (A): H 8.412 8.412 8.512 -0.100 RESID 229 (G): N 107.700 107.700 107.499 0.201 RESID 229 (G): C 175.000 175.000 176.005 -1.005 RESID 229 (G): CA 46.040 46.040 45.438 0.603 RESID 229 (G): H 8.565 8.565 8.098 0.467 RESID 230 (L): N 121.100 121.100 122.347 -1.247 RESID 230 (L): C 176.900 176.900 178.350 -1.450 RESID 230 (L): CA 55.620 55.620 55.545 0.075 RESID 230 (L): CB 42.630 42.630 41.690 0.940 RESID 230 (L): H 7.454 7.454 7.882 -0.428 RESID 231 (N): N 119.400 119.400 119.833 -0.433 RESID 231 (N): C 175.300 175.300 175.917 -0.617 RESID 231 (N): CA 53.650 53.650 56.148 -2.498 RESID 231 (N): CB 38.940 38.940 37.992 0.948 RESID 231 (N): H 8.211 8.211 8.026 0.185 RESID 232 (A): N 124.500 124.500 119.588 4.912 RESID 232 (A): C 178.100 178.100 178.074 0.026 RESID 232 (A): CA 53.110 53.110 51.708 1.402 RESID 232 (A): CB 19.340 19.340 18.035 1.305 RESID 232 (A): H 8.103 8.103 7.931 0.172 RESID 233 (S): N 115.200 115.200 115.248 -0.048 RESID 233 (S): C 175.100 175.100 175.583 -0.483 RESID 233 (S): CA 59.280 59.280 61.008 -1.728 RESID 233 (S): CB 64.280 64.280 63.334 0.946 RESID 233 (S): H 8.169 8.169 8.442 -0.273 RESID 234 (Q): N 122.100 122.100 120.600 1.500 RESID 234 (Q): C 176.400 176.400 175.682 0.718 RESID 234 (Q): CA 56.240 56.240 56.058 0.182 RESID 234 (Q): CB 29.490 29.490 30.817 -1.327 RESID 234 (Q): H 8.230 8.230 7.768 0.462 RESID 235 (S): N 117.100 117.100 118.097 -0.997 RESID 235 (S): C 174.900 174.900 174.669 0.231 RESID 235 (S): CA 58.910 58.910 58.909 0.001 RESID 235 (S): CB 64.510 64.510 62.888 1.622 RESID 235 (S): H 8.229 8.229 8.439 -0.210 RESID 236 (Q): N 122.300 122.300 127.128 -4.828 RESID 236 (Q): C 176.700 176.700 175.440 1.260 RESID 236 (Q): CA 56.610 56.610 55.498 1.112 RESID 236 (Q): CB 29.280 29.280 27.630 1.650 RESID 236 (Q): H 8.372 8.372 8.857 -0.485 RESID 237 (G): N 110.400 110.400 109.027 1.373 RESID 237 (G): C 174.100 174.100 172.962 1.138 RESID 237 (G): CA 45.720 45.720 45.471 0.249 RESID 237 (G): H 8.381 8.381 7.579 0.802 RESID 238 (K): N 120.500 120.500 121.453 -0.953 RESID 238 (K): C 176.600 176.600 175.482 1.118 RESID 238 (K): CA 56.490 56.490 56.029 0.461 RESID 238 (K): CB 33.320 33.320 32.769 0.551 RESID 238 (K): H 7.968 7.968 8.357 -0.389 RESID 239 (R): N 120.900 120.900 125.003 -4.103 RESID 239 (R): CA 56.130 56.130 55.942 0.188 RESID 239 (R): CB 31.560 31.560 30.912 0.648 RESID 239 (R): H 8.159 8.159 8.503 -0.344 RESID 240 (H): C 174.800 174.800 176.513 -1.713 RESID 240 (H): CA 55.740 55.740 58.647 -2.906 RESID 240 (H): CB 29.760 29.760 30.072 -0.312 RESID 241 (D): N 119.800 119.800 119.228 0.572 RESID 241 (D): C 174.700 174.700 176.275 -1.575 RESID 241 (D): CA 55.500 55.500 55.978 -0.478 RESID 241 (D): CB 40.550 40.550 41.215 -0.665 RESID 241 (D): H 9.052 9.052 8.389 0.663 RESID 242 (I): N 115.200 115.200 115.023 0.177 RESID 242 (I): C 175.600 175.600 174.393 1.207 RESID 242 (I): CA 59.090 59.090 59.409 -0.319 RESID 242 (I): CB 43.670 43.670 40.919 2.751 RESID 242 (I): H 7.087 7.087 7.412 -0.325 RESID 243 (I): N 125.100 125.100 126.194 -1.094 RESID 243 (I): C 175.300 175.300 174.269 1.031 RESID 243 (I): CA 60.340 60.340 60.626 -0.286 RESID 243 (I): CB 41.290 41.290 38.397 2.893 RESID 243 (I): H 8.746 8.746 8.517 0.229 RESID 244 (Q): N 128.400 128.400 127.540 0.860 RESID 244 (Q): C 175.300 175.300 174.249 1.051 RESID 244 (Q): CA 56.460 56.460 54.931 1.529 RESID 244 (Q): CB 29.800 29.800 29.778 0.022 RESID 244 (Q): H 8.768 8.768 8.599 0.169 RESID 245 (L): N 125.500 125.500 123.492 2.008 RESID 245 (L): C 176.200 176.200 176.605 -0.405 RESID 245 (L): CA 53.790 53.790 53.112 0.678 RESID 245 (L): CB 45.100 45.100 44.876 0.224 RESID 245 (L): H 8.640 8.640 8.338 0.302 RESID 246 (G): N 109.700 109.700 105.061 4.639 RESID 246 (G): C 174.200 174.200 174.328 -0.128 RESID 246 (G): CA 44.590 44.590 45.042 -0.452 RESID 246 (G): H 8.424 8.424 8.447 -0.023 RESID 247 (G): N 108.500 108.500 108.656 -0.156 RESID 247 (G): C 176.800 176.800 174.975 1.825 RESID 247 (G): CA 47.500 47.500 44.356 3.144 RESID 247 (G): H 8.666 8.666 7.733 0.933 RESID 248 (E): N 123.700 123.700 121.148 2.552 RESID 248 (E): C 177.300 177.300 176.506 0.794 RESID 248 (E): CA 58.560 58.560 57.502 1.058 RESID 248 (E): CB 29.330 29.330 29.187 0.143 RESID 248 (E): H 9.265 9.265 8.813 0.452 RESID 249 (N): N 116.700 116.700 116.544 0.156 RESID 249 (N): C 175.500 175.500 176.000 -0.500 RESID 249 (N): CA 53.490 53.490 53.600 -0.110 RESID 249 (N): CB 39.390 39.390 38.790 0.600 RESID 249 (N): H 7.963 7.963 7.698 0.265 RESID 250 (L): N 121.100 121.100 119.928 1.172 RESID 250 (L): C 177.100 177.100 178.097 -0.997 RESID 250 (L): CA 58.810 58.810 57.031 1.779 RESID 250 (L): CB 42.220 42.220 41.474 0.746 RESID 250 (L): H 7.104 7.104 7.791 -0.687 RESID 251 (A): N 117.400 117.400 122.389 -4.989 RESID 251 (A): C 179.500 179.500 178.165 1.335 RESID 251 (A): CA 55.340 55.340 54.661 0.679 RESID 251 (A): CB 17.960 17.960 18.387 -0.427 RESID 251 (A): H 8.141 8.141 8.314 -0.173 RESID 252 (A): N 117.400 117.400 118.578 -1.178 RESID 252 (A): C 179.100 179.100 178.325 0.775 RESID 252 (A): CA 53.990 53.990 52.395 1.595 RESID 252 (A): CB 18.970 18.970 18.958 0.012 RESID 252 (A): H 7.375 7.375 8.409 -1.034 RESID 253 (G): N 100.600 100.600 107.905 -7.305 RESID 253 (G): C 172.700 172.700 174.798 -2.098 RESID 253 (G): CA 45.380 45.380 45.025 0.355 RESID 253 (G): H 7.589 7.589 7.550 0.039 RESID 254 (L): N 124.800 124.800 122.863 1.937 RESID 254 (L): C 175.300 175.300 177.547 -2.247 RESID 254 (L): CA 53.020 53.020 54.870 -1.850 RESID 254 (L): CB 39.090 39.090 42.091 -3.001 RESID 254 (L): H 7.202 7.202 7.791 -0.589 RESID 255 (N): N 113.800 113.800 121.488 -7.688 RESID 255 (N): C 176.600 176.600 176.241 0.359 RESID 255 (N): CA 53.420 53.420 54.016 -0.596 RESID 255 (N): CB 37.600 37.600 38.835 -1.235 RESID 255 (N): H 7.701 7.701 8.839 -1.138 RESID 256 (G): N 109.100 109.100 106.543 2.557 RESID 256 (G): C 172.200 172.200 174.668 -2.468 RESID 256 (G): CA 45.790 45.790 45.318 0.472 RESID 256 (G): H 7.856 7.856 8.549 -0.693 RESID 257 (E): N 120.100 120.100 118.928 1.172 RESID 257 (E): C 176.900 176.900 175.611 1.289 RESID 257 (E): CA 57.880 57.880 56.651 1.230 RESID 257 (E): CB 29.760 29.760 30.559 -0.799 RESID 257 (E): H 8.443 8.443 8.648 -0.205 RESID 258 (S): N 107.500 107.500 113.672 -6.172 RESID 258 (S): C 172.500 172.500 172.420 0.080 RESID 258 (S): CA 58.010 58.010 58.547 -0.537 RESID 258 (S): CB 66.360 66.360 63.802 2.558 RESID 258 (S): H 7.176 7.176 8.021 -0.845 RESID 259 (L): N 124.900 124.900 127.648 -2.748 RESID 259 (L): C 173.900 173.900 176.462 -2.562 RESID 259 (L): CA 53.630 53.630 54.366 -0.736 RESID 259 (L): CB 46.240 46.240 42.366 3.874 RESID 259 (L): H 8.969 8.969 8.054 0.915 RESID 260 (F): N 123.700 123.700 123.034 0.666 RESID 260 (F): C 174.200 174.200 176.026 -1.826 RESID 260 (F): CA 56.460 56.460 54.964 1.496 RESID 260 (F): CB 41.560 41.560 40.482 1.078 RESID 260 (F): H 9.295 9.295 8.146 1.149 RESID 261 (L): N 123.900 123.900 120.111 3.789 RESID 261 (L): C 177.600 177.600 177.076 0.524 RESID 261 (L): CA 54.010 54.010 53.181 0.829 RESID 261 (L): CB 41.470 41.470 45.526 -4.056 RESID 261 (L): H 9.034 9.034 8.183 0.851 RESID 262 (F): N 123.800 123.800 122.360 1.440 RESID 262 (F): C 175.500 175.500 175.657 -0.157 RESID 262 (F): CA 58.850 58.850 56.865 1.985 RESID 262 (F): CB 39.930 39.930 38.481 1.449 RESID 262 (F): H 9.338 9.338 9.088 0.250 RESID 263 (A): N 121.900 121.900 124.104 -2.204 RESID 263 (A): C 175.300 175.300 177.029 -1.729 RESID 263 (A): CA 53.630 53.630 52.655 0.975 RESID 263 (A): CB 19.700 19.700 16.809 2.891 RESID 263 (A): H 8.902 8.902 8.273 0.629 RESID 264 (G): N 104.500 104.500 111.567 -7.067 RESID 264 (G): C 171.100 171.100 172.728 -1.628 RESID 264 (G): CA 45.540 45.540 45.056 0.484 RESID 264 (G): H 6.746 6.746 7.888 -1.142 RESID 265 (D): N 122.300 122.300 122.649 -0.349 RESID 265 (D): C 177.300 177.300 177.264 0.036 RESID 265 (D): CA 51.660 51.660 52.774 -1.114 RESID 265 (D): CB 42.840 42.840 42.254 0.586 RESID 265 (D): H 9.052 9.052 8.113 0.939 RESID 266 (Q): N 118.400 118.400 119.580 -1.180 RESID 266 (Q): C 177.600 177.600 177.458 0.142 RESID 266 (Q): CA 58.620 58.620 59.056 -0.436 RESID 266 (Q): CB 28.490 28.490 28.646 -0.156 RESID 266 (Q): H 8.277 8.277 8.602 -0.325 RESID 267 (K): N 117.700 117.700 118.766 -1.066 RESID 267 (K): C 180.400 180.400 178.081 2.319 RESID 267 (K): CA 59.390 59.390 59.545 -0.155 RESID 267 (K): CB 31.440 31.440 31.786 -0.346 RESID 267 (K): H 7.879 7.879 7.923 -0.044 RESID 268 (D): N 121.600 121.600 119.658 1.942 RESID 268 (D): C 177.400 177.400 178.338 -0.938 RESID 268 (D): CA 57.980 57.980 56.971 1.009 RESID 268 (D): CB 41.550 41.550 40.253 1.297 RESID 268 (D): H 7.640 7.640 8.104 -0.464 RESID 269 (A): N 121.700 121.700 121.476 0.224 RESID 269 (A): C 179.000 179.000 178.421 0.579 RESID 269 (A): CA 55.640 55.640 54.923 0.717 RESID 269 (A): CB 17.490 17.490 18.191 -0.701 RESID 269 (A): H 7.370 7.370 7.621 -0.251 RESID 270 (D): N 118.200 118.200 117.902 0.298 RESID 270 (D): C 179.300 179.300 176.516 2.784 RESID 270 (D): CA 57.570 57.570 56.314 1.256 RESID 270 (D): CB 39.860 39.860 40.250 -0.390 RESID 270 (D): H 8.735 8.735 7.949 0.786 RESID 271 (A): N 122.900 122.900 119.882 3.018 RESID 271 (A): C 180.800 180.800 179.327 1.473 RESID 271 (A): CA 55.040 55.040 53.571 1.469 RESID 271 (A): CB 18.300 18.300 19.325 -1.025 RESID 271 (A): H 7.579 7.579 7.049 0.530 RESID 272 (I): N 0.000 0.000 120.439 -120.439 RESID 272 (I): C 178.300 178.300 176.952 1.348 RESID 272 (I): CA 63.880 63.880 64.652 -0.772 RESID 272 (I): CB 35.710 35.710 38.126 -2.416 RESID 272 (I): H 7.340 7.340 8.403 -1.063 RESID 273 (Y): N 116.300 116.300 116.945 -0.645 RESID 273 (Y): C 177.000 177.000 176.738 0.262 RESID 273 (Y): CA 61.100 61.100 58.298 2.802 RESID 273 (Y): CB 37.770 37.770 35.851 1.919 RESID 273 (Y): H 7.509 7.509 7.289 0.220 RESID 274 (A): N 118.600 118.600 121.780 -3.180 RESID 274 (A): C 177.200 177.200 177.175 0.025 RESID 274 (A): CA 52.030 52.030 52.981 -0.951 RESID 274 (A): CB 19.580 19.580 19.443 0.137 RESID 274 (A): H 7.495 7.495 7.833 -0.338 RESID 275 (N): N 119.900 119.900 118.257 1.643 RESID 275 (N): C 175.700 175.700 174.015 1.685 RESID 275 (N): CA 51.030 51.030 51.354 -0.324 RESID 275 (N): CB 38.590 38.590 37.026 1.564 RESID 275 (N): H 7.200 7.200 7.949 -0.749 RESID 276 (P): C 178.900 178.900 178.499 0.401 RESID 276 (P): CA 65.190 65.190 65.472 -0.282 RESID 276 (P): CB 32.440 32.440 32.038 0.402 RESID 277 (L): N 116.700 116.700 117.413 -0.713 RESID 277 (L): C 178.000 178.000 178.917 -0.917 RESID 277 (L): CA 56.630 56.630 57.547 -0.917 RESID 277 (L): CB 41.720 41.720 41.508 0.212 RESID 277 (L): H 7.777 7.777 7.925 -0.148 RESID 278 (L): N 115.100 115.100 116.563 -1.463 RESID 278 (L): C 176.600 176.600 177.865 -1.265 RESID 278 (L): CA 53.200 53.200 54.921 -1.721 RESID 278 (L): CB 40.960 40.960 41.288 -0.328 RESID 278 (L): H 7.485 7.485 7.677 -0.192 RESID 279 (A): N 118.600 118.600 123.122 -4.522 RESID 279 (A): C 177.700 177.700 177.805 -0.105 RESID 279 (A): CA 55.090 55.090 54.376 0.714 RESID 279 (A): CB 19.710 19.710 18.597 1.113 RESID 279 (A): H 6.665 6.665 7.917 -1.252 RESID 280 (H): N 111.600 111.600 115.255 -3.655 RESID 280 (H): C 175.500 175.500 175.211 0.289 RESID 280 (H): CA 55.360 55.360 56.277 -0.917 RESID 280 (H): CB 29.540 29.540 28.654 0.886 RESID 280 (H): H 8.337 8.337 8.201 0.136 RESID 281 (L): N 124.100 124.100 122.460 1.640 RESID 281 (L): C 176.300 176.300 175.877 0.423 RESID 281 (L): CA 53.330 53.330 52.973 0.357 RESID 281 (L): CB 40.490 40.490 41.931 -1.441 RESID 281 (L): H 7.289 7.289 7.447 -0.158 RESID 282 (P): C 178.200 178.200 178.385 -0.185 RESID 282 (P): CA 66.050 66.050 65.695 0.355 RESID 282 (P): CB 32.150 32.150 31.727 0.423 RESID 283 (A): N 116.000 116.000 119.318 -3.318 RESID 283 (A): C 179.000 179.000 179.795 -0.795 RESID 283 (A): CA 55.630 55.630 55.200 0.430 RESID 283 (A): CB 19.490 19.490 18.170 1.320 RESID 283 (A): H 7.969 7.969 8.432 -0.463 RESID 284 (V): N 115.200 115.200 118.442 -3.242 RESID 284 (V): C 180.000 180.000 178.938 1.062 RESID 284 (V): CA 65.640 65.640 65.892 -0.252 RESID 284 (V): CB 32.560 32.560 30.817 1.743 RESID 284 (V): H 6.557 6.557 7.680 -1.123 RESID 285 (Q): N 121.200 121.200 120.493 0.707 RESID 285 (Q): C 178.000 178.000 177.667 0.333 RESID 285 (Q): CA 59.500 59.500 58.806 0.694 RESID 285 (Q): CB 29.080 29.080 28.609 0.471 RESID 285 (Q): H 8.581 8.581 7.835 0.746 RESID 286 (N): N 112.600 112.600 114.032 -1.432 RESID 286 (N): C 174.500 174.500 173.865 0.635 RESID 286 (N): CA 53.160 53.160 52.708 0.452 RESID 286 (N): CB 38.390 38.390 38.694 -0.304 RESID 286 (N): H 8.117 8.117 8.150 -0.033 RESID 287 (K): N 118.500 118.500 115.813 2.687 RESID 287 (K): C 176.100 176.100 176.249 -0.149 RESID 287 (K): CA 57.540 57.540 57.303 0.237 RESID 287 (K): CB 28.570 28.570 29.599 -1.029 RESID 287 (K): H 7.724 7.724 7.718 0.006 RESID 288 (Q): N 119.700 119.700 117.275 2.425 RESID 288 (Q): C 173.700 173.700 174.075 -0.375 RESID 288 (Q): CA 52.970 52.970 54.786 -1.816 RESID 288 (Q): CB 28.640 28.640 28.607 0.033 RESID 288 (Q): H 8.895 8.895 8.446 0.449 RESID 289 (V): N 119.200 119.200 118.766 0.434 RESID 289 (V): C 175.100 175.100 175.171 -0.071 RESID 289 (V): CA 61.600 61.600 61.110 0.490 RESID 289 (V): CB 32.610 32.610 34.118 -1.508 RESID 289 (V): H 6.246 6.246 6.922 -0.676 RESID 290 (Y): N 125.700 125.700 124.709 0.991 RESID 290 (Y): C 174.100 174.100 174.390 -0.290 RESID 290 (Y): CA 56.830 56.830 56.629 0.201 RESID 290 (Y): CB 40.950 40.950 42.367 -1.417 RESID 290 (Y): H 8.682 8.682 9.082 -0.400 RESID 291 (A): N 126.900 126.900 122.008 4.892 RESID 291 (A): C 178.300 178.300 176.747 1.553 RESID 291 (A): CA 51.560 51.560 50.386 1.174 RESID 291 (A): CB 19.670 19.670 21.250 -1.580 RESID 291 (A): H 9.057 9.057 8.649 0.408 RESID 292 (L): N 120.800 120.800 119.850 0.950 RESID 292 (L): C 175.500 175.500 176.223 -0.723 RESID 292 (L): CA 54.880 54.880 54.257 0.623 RESID 292 (L): CB 42.490 42.490 42.266 0.224 RESID 292 (L): H 8.342 8.342 8.930 -0.588 RESID 293 (G): N 107.500 107.500 103.824 3.676 RESID 293 (G): C 177.600 177.600 174.112 3.488 RESID 293 (G): CA 45.110 45.110 44.428 0.681 RESID 293 (G): H 7.973 7.973 7.384 0.589 RESID 294 (T): N 117.800 117.800 116.738 1.062 RESID 294 (T): C 176.400 176.400 176.022 0.378 RESID 294 (T): CA 65.260 65.260 65.195 0.065 RESID 294 (T): CB 68.310 68.310 69.157 -0.847 RESID 294 (T): H 8.808 8.808 8.573 0.235 RESID 295 (E): N 122.100 122.100 119.915 2.185 RESID 295 (E): C 177.700 177.700 176.603 1.097 RESID 295 (E): CA 58.540 58.540 58.329 0.211 RESID 295 (E): CB 29.010 29.010 28.772 0.238 RESID 295 (E): H 10.380 10.380 8.845 1.535 RESID 296 (T): N 103.000 103.000 108.575 -5.575 RESID 296 (T): C 173.600 173.600 174.321 -0.721 RESID 296 (T): CA 62.320 62.320 61.256 1.064 RESID 296 (T): CB 69.170 69.170 67.763 1.407 RESID 296 (T): H 7.062 7.062 7.917 -0.855 RESID 297 (F): N 121.500 121.500 123.017 -1.517 RESID 297 (F): C 174.500 174.500 175.867 -1.367 RESID 297 (F): CA 61.700 61.700 61.063 0.637 RESID 297 (F): CB 39.640 39.640 39.796 -0.156 RESID 297 (F): H 8.108 8.108 7.788 0.320 RESID 298 (R): N 116.800 116.800 119.828 -3.028 RESID 298 (R): C 176.000 176.000 175.110 0.890 RESID 298 (R): CA 54.160 54.160 55.817 -1.657 RESID 298 (R): CB 32.460 32.460 31.095 1.365 RESID 298 (R): H 7.552 7.552 8.271 -0.719 RESID 299 (L): N 125.500 125.500 126.378 -0.878 RESID 299 (L): C 174.800 174.800 174.669 0.131 RESID 299 (L): CA 54.300 54.300 53.934 0.366 RESID 299 (L): CB 41.670 41.670 44.019 -2.349 RESID 299 (L): H 8.903 8.903 8.429 0.474 RESID 300 (D): N 124.600 124.600 124.218 0.382 RESID 300 (D): C 173.400 173.400 175.580 -2.180 RESID 300 (D): CA 51.880 51.880 53.251 -1.371 RESID 300 (D): CB 43.230 43.230 42.420 0.810 RESID 300 (D): H 7.735 7.735 8.766 -1.031 RESID 301 (Y): N 118.100 118.100 121.471 -3.371 RESID 301 (Y): C 175.300 175.300 176.195 -0.895 RESID 301 (Y): CA 61.650 61.650 63.302 -1.652 RESID 301 (Y): CB 38.740 38.740 38.711 0.029 RESID 301 (Y): H 7.943 7.943 9.003 -1.060 RESID 302 (Y): N 112.300 112.300 115.598 -3.298 RESID 302 (Y): C 180.800 180.800 177.660 3.140 RESID 302 (Y): CA 61.970 61.970 60.979 0.991 RESID 302 (Y): CB 37.990 37.990 38.009 -0.019 RESID 302 (Y): H 7.309 7.309 8.125 -0.816 RESID 303 (S): N 119.100 119.100 115.619 3.481 RESID 303 (S): C 176.300 176.300 176.508 -0.208 RESID 303 (S): CA 60.690 60.690 61.523 -0.833 RESID 303 (S): CB 63.180 63.180 62.713 0.467 RESID 303 (S): H 9.411 9.411 9.471 -0.060 RESID 304 (A): N 126.900 126.900 124.948 1.952 RESID 304 (A): C 180.400 180.400 179.368 1.032 RESID 304 (A): CA 56.000 56.000 55.287 0.713 RESID 304 (A): CB 18.040 18.040 17.837 0.203 RESID 304 (A): H 8.860 8.860 7.943 0.917 RESID 305 (M): N 116.600 116.600 118.004 -1.404 RESID 305 (M): C 179.300 179.300 178.823 0.477 RESID 305 (M): CA 57.880 57.880 59.542 -1.662 RESID 305 (M): CB 31.350 31.350 32.140 -0.790 RESID 305 (M): H 7.346 7.346 7.601 -0.255 RESID 306 (Q): N 119.300 119.300 118.820 0.480 RESID 306 (Q): C 179.000 179.000 178.837 0.163 RESID 306 (Q): CA 59.410 59.410 58.883 0.527 RESID 306 (Q): CB 28.450 28.450 28.832 -0.382 RESID 306 (Q): H 7.633 7.633 7.761 -0.128 RESID 308 (L): C 178.700 178.700 178.492 0.208 RESID 308 (L): CA 58.690 58.690 58.429 0.261 RESID 308 (L): CB 41.790 41.790 41.384 0.406 RESID 309 (D): N 119.100 119.100 119.055 0.045 RESID 309 (D): C 179.600 179.600 178.882 0.718 RESID 309 (D): CA 57.830 57.830 57.544 0.286 RESID 309 (D): CB 40.820 40.820 40.337 0.483 RESID 309 (D): H 7.984 7.984 8.020 -0.036 RESID 310 (R): N 121.700 121.700 120.603 1.097 RESID 310 (R): C 178.900 178.900 178.731 0.169 RESID 310 (R): CA 58.590 58.590 59.188 -0.598 RESID 310 (R): CB 29.820 29.820 30.154 -0.334 RESID 310 (R): H 8.463 8.463 7.597 0.866 RESID 311 (L): N 119.200 119.200 119.904 -0.704 RESID 311 (L): C 178.800 178.800 178.723 0.077 RESID 311 (L): CA 58.380 58.380 58.106 0.274 RESID 311 (L): CB 42.340 42.340 41.846 0.493 RESID 311 (L): H 8.489 8.489 8.333 0.156 RESID 312 (K): N 116.500 116.500 118.739 -2.239 RESID 312 (K): C 178.000 178.000 178.399 -0.399 RESID 312 (K): CA 59.250 59.250 59.176 0.074 RESID 312 (K): CB 32.440 32.440 32.492 -0.052 RESID 312 (K): H 7.955 7.955 8.192 -0.237 RESID 313 (A): N 119.500 119.500 120.787 -1.287 RESID 313 (A): C 180.000 180.000 178.631 1.369 RESID 313 (A): CA 53.920 53.920 53.270 0.649 RESID 313 (A): CB 18.800 18.800 19.253 -0.453 RESID 313 (A): H 7.427 7.427 7.731 -0.304 RESID 314 (L): N 119.500 119.500 119.177 0.323 RESID 314 (L): C 177.400 177.400 176.450 0.950 RESID 314 (L): CA 56.770 56.770 57.232 -0.462 RESID 314 (L): CB 43.730 43.730 42.351 1.379 RESID 314 (L): H 7.431 7.431 8.123 -0.692 N HA C CA CB H RESID 26 (W): -3.482 ----- -0.861 0.393 3.263 0.164 RESID 27 (P): ----- ----- -0.010 -0.293 4.938 ----- RESID 28 (R): -3.824 ----- -1.400 0.743 0.753 0.054 RESID 29 (Q): -0.838 ----- 0.593 -1.247 1.447 -0.080 RESID 30 (I): -1.837 ----- 0.579 -0.932 -0.466 1.086 RESID 31 (T): 3.186 ----- 0.740 -1.327 1.048 0.587 RESID 32 (D): 5.728 ----- 1.453 0.786 -0.485 1.415 RESID 33 (S): -4.420 ----- -0.581 0.450 -0.386 -0.213 RESID 34 (R): -2.384 ----- -0.631 -3.652 0.162 0.474 RESID 35 (G): 5.168 ----- -2.253 -0.507 ----- -0.759 RESID 36 (T): 0.111 ----- 0.787 0.024 -0.073 0.583 RESID 37 (H): 0.478 ----- 0.726 -1.282 -1.994 0.359 RESID 38 (T): 4.312 ----- 1.381 2.119 -1.234 1.586 RESID 39 (L): 7.225 ----- 0.091 0.522 -0.934 0.447 RESID 40 (E): -1.492 ----- -0.319 0.273 0.486 0.138 RESID 41 (S): -1.863 ----- -1.496 -0.902 0.605 -0.157 RESID 42 (Q): 3.315 ----- -0.150 -2.029 0.556 -1.268 RESID 43 (P): ----- ----- -0.379 0.780 0.101 ----- RESID 44 (Q): 2.574 ----- -0.620 -1.531 2.869 2.624 RESID 45 (R): 8.294 ----- 0.493 0.091 -0.053 2.467 RESID 47 (V): ----- ----- 0.349 -0.274 -0.137 ----- RESID 48 (S): -2.068 ----- 2.099 -1.792 -1.130 -0.591 RESID 49 (T): 5.257 ----- -2.774 0.893 -0.244 -0.100 RESID 50 (S): -0.536 ----- -0.544 -2.066 0.008 -0.112 RESID 51 (V): 4.950 ----- -2.728 -0.221 -0.102 0.173 RESID 52 (T): 0.541 ----- 3.168 1.155 0.532 -0.174 RESID 53 (L): 1.075 ----- 0.308 -0.762 0.819 -0.556 RESID 54 (T): 1.781 ----- -1.739 -0.666 ----- -0.088 RESID 55 (G): -3.714 ----- -0.201 0.291 ----- -1.268 RESID 56 (S): -0.768 ----- -1.159 1.880 1.963 -1.240 RESID 58 (L): ----- ----- 1.765 -0.281 -0.113 ----- RESID 59 (A): -0.726 ----- -0.275 0.739 -0.316 -0.336 RESID 60 (I): ----- ----- -1.544 0.179 0.410 ----- RESID 61 (D): -2.485 ----- 0.238 0.045 -0.050 -0.006 RESID 62 (A): -3.209 ----- 2.693 -0.833 -1.634 0.107 RESID 63 (P): ----- ----- -2.114 0.604 -4.700 ----- RESID 64 (V): 3.729 ----- -0.912 -1.470 -0.774 0.437 RESID 65 (I): -4.386 ----- 1.552 -2.999 1.270 0.244 RESID 66 (A): 4.269 ----- -0.103 0.655 1.456 -0.411 RESID 67 (S): -5.050 ----- 2.261 -2.080 -2.426 0.241 RESID 68 (G): 5.624 ----- -1.618 2.029 ----- -1.109 RESID 69 (A): -3.702 ----- 2.726 -1.144 2.050 -0.827 RESID 70 (T): 5.716 ----- -2.724 -3.129 1.049 1.093 RESID 71 (T): -5.229 ----- -0.418 0.053 1.546 -0.794 RESID 72 (P): ----- ----- 0.975 -0.197 0.735 ----- RESID 73 (N): -3.227 ----- -1.404 0.390 -1.534 -0.688 RESID 74 (N): ----- ----- -1.186 5.000 0.347 ----- RESID 75 (R): -6.353 ----- -0.156 1.077 1.062 -0.284 RESID 76 (V): -10.217 ----- 0.056 -2.943 2.039 -0.824 RESID 77 (A): 5.851 ----- -1.063 -1.025 5.125 0.717 RESID 78 (D): 1.796 ----- 2.212 -0.936 0.361 0.431 RESID 79 (D): 0.848 ----- 0.282 1.068 0.863 -0.165 RESID 80 (Q): -4.370 ----- -1.179 -1.510 2.389 -0.180 RESID 81 (G): -0.007 ----- 0.856 0.953 ----- -0.646 RESID 82 (F): 0.629 ----- -0.432 -4.249 -2.651 0.300 RESID 83 (L): ----- ----- 0.981 0.349 -3.490 ----- RESID 84 (R): 0.365 ----- 0.779 3.512 1.641 -0.680 RESID 85 (Q): -2.601 ----- -2.669 0.200 -3.176 1.864 RESID 86 (W): -6.495 ----- -1.777 -5.101 -2.068 -1.952 RESID 87 (S): 3.740 ----- 1.458 0.603 ----- -1.279 RESID 88 (K): -3.937 ----- 0.176 0.475 -0.088 0.980 RESID 89 (V): 6.366 ----- 0.807 0.089 0.499 -0.696 RESID 90 (A): -0.394 ----- 1.092 1.385 1.427 0.687 RESID 91 (K): -0.412 ----- 3.038 1.006 -0.003 -0.257 RESID 92 (E): 5.056 ----- 1.517 2.303 -0.663 0.484 RESID 93 (R): -3.152 ----- 0.313 0.792 -1.523 -0.265 RESID 94 (K): 1.759 ----- 0.666 -0.667 -1.448 -0.707 RESID 95 (L): -1.086 ----- 0.294 0.742 1.011 0.063 RESID 96 (Q): 0.393 ----- -0.966 0.623 0.325 -0.882 RESID 97 (R): 6.438 ----- 0.593 -1.019 1.623 0.502 RESID 98 (L): 3.495 ----- -0.393 2.448 3.316 -0.415 RESID 99 (Y): -1.957 ----- -1.385 -0.837 -0.989 -1.350 RESID 100 (I): -6.173 ----- -0.351 -1.833 3.563 0.092 RESID 101 (G): 0.900 ----- -0.698 2.202 ----- -0.250 RESID 102 (E): 10.927 ----- -0.775 0.485 2.040 0.293 RESID 103 (P): ----- ----- -0.835 -1.389 -0.087 ----- RESID 104 (S): -5.259 ----- 0.155 -3.161 -0.059 -2.562 RESID 105 (A): 0.224 ----- 0.352 0.738 -0.898 0.332 RESID 106 (E): 0.376 ----- 0.440 1.241 -0.472 0.147 RESID 107 (A): -0.515 ----- 0.358 -0.283 0.783 -0.146 RESID 108 (V): -1.951 ----- -0.804 0.960 -0.302 -0.502 RESID 109 (A): -1.433 ----- 1.879 0.619 -0.139 0.140 RESID 110 (A): -0.745 ----- 0.257 -0.248 -0.023 -0.332 RESID 111 (Q): -1.084 ----- -1.065 0.886 -0.160 -0.289 RESID 112 (M): -6.062 ----- 0.070 0.362 -1.429 -0.063 RESID 113 (P): ----- ----- 0.448 0.209 0.429 ----- RESID 114 (D): -2.169 ----- -0.084 -2.124 -1.797 0.622 RESID 115 (L): ----- ----- 0.611 -1.398 ----- ----- RESID 116 (I): -2.830 ----- ----- -0.092 ----- 1.343 RESID 118 (I): ----- ----- -0.974 0.438 1.002 ----- RESID 119 (S): 0.437 ----- 0.604 -0.598 0.666 1.036 RESID 120 (A): 1.302 ----- -0.502 -0.001 1.407 -0.515 RESID 121 (T): -3.206 ----- -0.178 -2.450 1.591 -0.176 RESID 122 (G): -6.685 ----- 3.100 -0.778 ----- 0.198 RESID 123 (G): ----- ----- -0.213 1.043 ----- ----- RESID 124 (D): -2.420 ----- 0.981 -0.582 0.047 0.823 RESID 125 (S): -4.095 ----- 1.653 0.073 0.137 -1.106 RESID 126 (A): 4.748 ----- -1.955 -2.339 -2.237 0.251 RESID 127 (L): -0.034 ----- 0.541 1.472 1.241 -0.798 RESID 128 (A): 3.383 ----- 0.723 0.803 -0.493 1.291 RESID 129 (L): 0.592 ----- -0.885 -1.256 -0.371 0.359 RESID 130 (Y): -0.923 ----- 0.306 1.519 1.048 -1.099 RESID 131 (D): 1.157 ----- -0.093 0.606 0.295 0.913 RESID 132 (Q): -0.983 ----- 0.276 0.194 0.577 -0.141 RESID 133 (L): -0.339 ----- -0.715 0.322 -0.810 -0.472 RESID 134 (S): -3.246 ----- -0.498 0.321 0.799 -0.342 RESID 135 (T): -5.257 ----- -1.176 -2.043 0.658 -0.638 RESID 136 (I): 3.969 ----- 0.247 -0.049 0.356 0.349 RESID 137 (A): 1.953 ----- -1.616 -0.153 -0.122 -0.476 RESID 138 (P): ----- ----- -1.522 1.212 0.021 ----- RESID 139 (T): 1.936 ----- -0.093 -1.587 1.883 -0.174 RESID 140 (L): ----- ----- 0.598 -0.799 0.755 ----- RESID 141 (I): -2.510 ----- 1.118 -1.047 1.157 1.428 RESID 142 (I): 1.905 ----- 0.211 -1.934 -2.318 0.179 RESID 143 (N): 4.827 ----- 0.482 -1.883 0.081 0.724 RESID 144 (Y): -6.147 ----- 1.684 -3.745 -0.114 0.015 RESID 145 (D): 0.784 ----- 1.777 -0.219 3.348 0.443 RESID 146 (D): 4.144 ----- -0.067 -0.388 -1.692 -1.038 RESID 147 (K): -5.740 ----- -0.271 -1.551 -1.773 -0.548 RESID 148 (S): -0.456 ----- -0.364 -0.041 0.672 0.220 RESID 149 (W): 1.854 ----- 2.063 1.329 -0.743 -0.113 RESID 150 (Q): 3.156 ----- 0.301 3.387 -1.205 1.615 RESID 151 (S): 1.334 ----- 0.498 0.601 0.593 -0.005 RESID 152 (L): 2.298 ----- 0.581 0.387 0.291 0.068 RESID 153 (L): 0.573 ----- 1.039 1.432 -0.100 0.938 RESID 154 (T): 3.493 ----- 0.306 1.309 0.525 0.163 RESID 155 (Q): 3.492 ----- 1.186 1.365 0.258 0.296 RESID 156 (L): ----- ----- 1.638 0.619 -0.130 ----- RESID 157 (G): 5.814 ----- -0.551 1.786 ----- 1.207 RESID 158 (E): 4.816 ----- 0.629 1.242 0.311 0.025 RESID 160 (T): ----- ----- 2.296 -1.163 2.645 ----- RESID 161 (G): -0.322 ----- 0.419 1.258 ----- -0.880 RESID 162 (H): 4.794 ----- -2.191 -0.512 -2.962 0.670 RESID 163 (E): 1.751 ----- 2.322 1.396 -0.417 1.533 RESID 164 (K): 0.257 ----- -0.095 -0.457 0.308 0.400 RESID 165 (Q): 2.173 ----- 0.663 2.026 -0.268 -0.478 RESID 166 (A): -1.337 ----- -1.426 1.314 0.223 -0.227 RESID 167 (A): -3.025 ----- 1.884 -0.150 -0.313 -1.102 RESID 168 (E): 1.513 ----- 0.470 -0.003 0.448 0.316 RESID 170 (I): ----- ----- 0.015 1.583 1.356 ----- RESID 171 (A): -2.478 ----- 1.366 -0.349 0.152 -0.775 RESID 172 (Q): 2.567 ----- 0.618 0.697 -0.255 0.638 RESID 173 (F): -0.118 ----- -1.018 1.587 0.367 -0.281 RESID 174 (D): 0.889 ----- 1.412 0.542 -0.093 -0.261 RESID 175 (K): 1.092 ----- 1.166 -0.003 0.312 -0.084 RESID 176 (Q): 2.103 ----- 0.768 -0.475 -0.535 0.339 RESID 177 (L): 6.004 ----- -0.267 2.654 -0.156 1.202 RESID 178 (A): -1.071 ----- 1.375 0.193 0.095 -0.537 RESID 179 (A): -0.779 ----- 0.710 0.335 -0.404 0.061 RESID 180 (A): -0.038 ----- 0.096 0.748 -0.264 0.182 RESID 181 (K): 0.157 ----- -0.074 0.612 0.703 0.009 RESID 182 (E): -2.155 ----- -0.154 0.742 1.065 -0.591 RESID 183 (Q): -0.688 ----- 1.018 0.225 0.425 -0.186 RESID 184 (I): 1.946 ----- 0.957 3.255 0.341 0.290 RESID 185 (K): 4.722 ----- -0.024 -0.572 -2.899 0.828 RESID 186 (L): -1.053 ----- -0.213 2.369 0.384 -0.423 RESID 188 (P): ----- ----- -1.457 1.472 1.009 ----- RESID 189 (Q): 0.711 ----- 1.702 -2.393 0.929 -0.170 RESID 190 (P): ----- ----- -0.071 0.495 2.803 ----- RESID 191 (V): -8.930 ----- 0.342 0.217 0.333 0.679 RESID 192 (T): 7.366 ----- 0.216 3.502 0.302 0.118 RESID 193 (A): 9.926 ----- 0.000 -0.571 -0.308 1.612 RESID 194 (I): -2.094 ----- 2.906 -0.465 1.814 0.745 RESID 195 (V): -4.307 ----- 2.133 1.806 0.189 -0.169 RESID 196 (Y): 2.709 ----- 0.551 -0.412 1.042 1.006 RESID 197 (T): 1.496 ----- 0.934 0.100 -3.046 0.426 RESID 198 (A): -0.323 ----- 1.222 1.181 0.084 -0.328 RESID 199 (A): -4.777 ----- -1.022 -0.499 0.382 0.300 RESID 200 (A): -3.838 ----- -0.639 -0.790 1.323 -1.457 RESID 201 (H): 0.412 ----- -0.507 0.368 -0.422 -0.189 RESID 202 (S): -3.970 ----- 0.053 -1.055 -0.116 -0.702 RESID 203 (A): -2.984 ----- -0.389 -0.519 2.319 0.313 RESID 204 (N): 0.058 ----- -0.146 -0.545 -2.111 0.099 RESID 205 (L): 5.534 ----- 0.139 0.862 1.502 1.652 RESID 206 (W): 1.658 ----- 0.650 -0.749 -1.133 0.644 RESID 207 (T): 1.780 ----- 2.821 0.883 -1.851 -0.108 RESID 208 (P): ----- ----- -0.850 0.732 -0.218 ----- RESID 209 (E): -2.761 ----- 0.292 0.060 -0.385 -0.360 RESID 210 (S): 0.729 ----- -1.634 -1.083 2.849 0.221 RESID 211 (A): -2.108 ----- 0.745 0.101 -0.230 -0.145 RESID 212 (Q): 0.566 ----- -0.916 2.440 -0.329 0.015 RESID 213 (G): -0.134 ----- -0.916 0.691 ----- -0.249 RESID 214 (Q): -0.765 ----- 0.614 0.290 0.417 0.437 RESID 215 (M): -1.433 ----- -0.381 0.106 -0.805 -0.292 RESID 216 (L): -3.003 ----- 0.865 0.510 -1.443 -0.467 RESID 217 (E): 1.332 ----- 2.950 1.288 -0.272 0.206 RESID 218 (Q): 5.111 ----- -0.687 0.966 -0.248 0.546 RESID 219 (L): 0.996 ----- -2.250 -1.301 1.420 -0.313 RESID 220 (G): 1.901 ----- 1.774 0.063 ----- -0.383 RESID 221 (F): 0.173 ----- 0.855 1.942 -3.862 0.229 RESID 222 (T): 1.586 ----- 0.521 0.562 1.586 0.397 RESID 223 (L): 1.195 ----- 1.672 1.348 -1.131 1.062 RESID 224 (A): -1.291 ----- 1.539 1.472 -2.182 0.971 RESID 225 (K): 2.212 ----- 0.607 0.022 0.184 0.237 RESID 226 (L): -1.809 ----- -0.107 -0.546 0.469 0.114 RESID 227 (P): ----- ----- -0.265 -0.026 0.171 ----- RESID 228 (A): 0.063 ----- 1.013 0.707 0.006 -0.100 RESID 229 (G): 0.201 ----- -1.005 0.603 ----- 0.467 RESID 230 (L): -1.247 ----- -1.450 0.075 0.940 -0.428 RESID 231 (N): -0.433 ----- -0.617 -2.498 0.948 0.185 RESID 232 (A): 4.912 ----- 0.026 1.402 1.305 0.172 RESID 233 (S): -0.048 ----- -0.483 -1.728 0.946 -0.273 RESID 234 (Q): 1.500 ----- 0.718 0.182 -1.327 0.462 RESID 235 (S): -0.997 ----- 0.231 0.001 1.622 -0.210 RESID 236 (Q): -4.828 ----- 1.260 1.112 1.650 -0.485 RESID 237 (G): 1.373 ----- 1.138 0.249 ----- 0.802 RESID 238 (K): -0.953 ----- 1.118 0.461 0.551 -0.389 RESID 239 (R): -4.103 ----- ----- 0.188 0.648 -0.344 RESID 240 (H): ----- ----- -1.713 -2.906 -0.312 ----- RESID 241 (D): 0.572 ----- -1.575 -0.478 -0.665 0.663 RESID 242 (I): 0.177 ----- 1.207 -0.319 2.751 -0.325 RESID 243 (I): -1.094 ----- 1.031 -0.286 2.893 0.229 RESID 244 (Q): 0.860 ----- 1.051 1.529 0.022 0.169 RESID 245 (L): 2.008 ----- -0.405 0.678 0.224 0.302 RESID 246 (G): 4.639 ----- -0.128 -0.452 ----- -0.023 RESID 247 (G): -0.156 ----- 1.825 3.144 ----- 0.933 RESID 248 (E): 2.552 ----- 0.794 1.058 0.143 0.452 RESID 249 (N): 0.156 ----- -0.500 -0.110 0.600 0.265 RESID 250 (L): 1.172 ----- -0.997 1.779 0.746 -0.687 RESID 251 (A): -4.989 ----- 1.335 0.679 -0.427 -0.173 RESID 252 (A): -1.178 ----- 0.775 1.595 0.012 -1.034 RESID 253 (G): -7.305 ----- -2.098 0.355 ----- 0.039 RESID 254 (L): 1.937 ----- -2.247 -1.850 -3.001 -0.589 RESID 255 (N): -7.688 ----- 0.359 -0.596 -1.235 -1.138 RESID 256 (G): 2.557 ----- -2.468 0.472 ----- -0.693 RESID 257 (E): 1.172 ----- 1.289 1.230 -0.799 -0.205 RESID 258 (S): -6.172 ----- 0.080 -0.537 2.558 -0.845 RESID 259 (L): -2.748 ----- -2.562 -0.736 3.874 0.915 RESID 260 (F): 0.666 ----- -1.826 1.496 1.078 1.149 RESID 261 (L): 3.789 ----- 0.524 0.829 -4.056 0.851 RESID 262 (F): 1.440 ----- -0.157 1.985 1.449 0.250 RESID 263 (A): -2.204 ----- -1.729 0.975 2.891 0.629 RESID 264 (G): -7.067 ----- -1.628 0.484 ----- -1.142 RESID 265 (D): -0.349 ----- 0.036 -1.114 0.586 0.939 RESID 266 (Q): -1.180 ----- 0.142 -0.436 -0.156 -0.325 RESID 267 (K): -1.066 ----- 2.319 -0.155 -0.346 -0.044 RESID 268 (D): 1.942 ----- -0.938 1.009 1.297 -0.464 RESID 269 (A): 0.224 ----- 0.579 0.717 -0.701 -0.251 RESID 270 (D): 0.298 ----- 2.784 1.256 -0.390 0.786 RESID 271 (A): 3.018 ----- 1.473 1.469 -1.025 0.530 RESID 272 (I): -120.439 ----- 1.348 -0.772 -2.416 -1.063 RESID 273 (Y): -0.645 ----- 0.262 2.802 1.919 0.220 RESID 274 (A): -3.180 ----- 0.025 -0.951 0.137 -0.338 RESID 275 (N): 1.643 ----- 1.685 -0.324 1.564 -0.749 RESID 276 (P): ----- ----- 0.401 -0.282 0.402 ----- RESID 277 (L): -0.713 ----- -0.917 -0.917 0.212 -0.148 RESID 278 (L): -1.463 ----- -1.265 -1.721 -0.328 -0.192 RESID 279 (A): -4.522 ----- -0.105 0.714 1.113 -1.252 RESID 280 (H): -3.655 ----- 0.289 -0.917 0.886 0.136 RESID 281 (L): 1.640 ----- 0.423 0.357 -1.441 -0.158 RESID 282 (P): ----- ----- -0.185 0.355 0.423 ----- RESID 283 (A): -3.318 ----- -0.795 0.430 1.320 -0.463 RESID 284 (V): -3.242 ----- 1.062 -0.252 1.743 -1.123 RESID 285 (Q): 0.707 ----- 0.333 0.694 0.471 0.746 RESID 286 (N): -1.432 ----- 0.635 0.452 -0.304 -0.033 RESID 287 (K): 2.687 ----- -0.149 0.237 -1.029 0.006 RESID 288 (Q): 2.425 ----- -0.375 -1.816 0.033 0.449 RESID 289 (V): 0.434 ----- -0.071 0.490 -1.508 -0.676 RESID 290 (Y): 0.991 ----- -0.290 0.201 -1.417 -0.400 RESID 291 (A): 4.892 ----- 1.553 1.174 -1.580 0.408 RESID 292 (L): 0.950 ----- -0.723 0.623 0.224 -0.588 RESID 293 (G): 3.676 ----- 3.488 0.681 ----- 0.589 RESID 294 (T): 1.062 ----- 0.378 0.065 -0.847 0.235 RESID 295 (E): 2.185 ----- 1.097 0.211 0.238 1.535 RESID 296 (T): -5.575 ----- -0.721 1.064 1.407 -0.855 RESID 297 (F): -1.517 ----- -1.367 0.637 -0.156 0.320 RESID 298 (R): -3.028 ----- 0.890 -1.657 1.365 -0.719 RESID 299 (L): -0.878 ----- 0.131 0.366 -2.349 0.474 RESID 300 (D): 0.382 ----- -2.180 -1.371 0.810 -1.031 RESID 301 (Y): -3.371 ----- -0.895 -1.652 0.029 -1.060 RESID 302 (Y): -3.298 ----- 3.140 0.991 -0.019 -0.816 RESID 303 (S): 3.481 ----- -0.208 -0.833 0.467 -0.060 RESID 304 (A): 1.952 ----- 1.032 0.713 0.203 0.917 RESID 305 (M): -1.404 ----- 0.477 -1.662 -0.790 -0.255 RESID 306 (Q): 0.480 ----- 0.163 0.527 -0.382 -0.128 RESID 308 (L): ----- ----- 0.208 0.261 0.406 ----- RESID 309 (D): 0.045 ----- 0.718 0.286 0.483 -0.036 RESID 310 (R): 1.097 ----- 0.169 -0.598 -0.334 0.866 RESID 311 (L): -0.704 ----- 0.077 0.274 0.493 0.156 RESID 312 (K): -2.239 ----- -0.399 0.074 -0.052 -0.237 RESID 313 (A): -1.287 ----- 1.369 0.649 -0.453 -0.304 RESID 314 (L): 0.323 ----- 0.950 -0.462 1.379 -0.692 DATA CS_STAT_INFO N RMS: 8.228 ppm Count: 256 Average Difference: 0.467 +/- 8.231 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.221 ppm Count: 281 Average Difference: -0.162 +/- 1.213 ppm DATA CS_STAT_INFO CA RMS: 1.341 ppm Count: 283 Average Difference: -0.100 +/- 1.339 ppm DATA CS_STAT_INFO CB RMS: 1.421 ppm Count: 260 Average Difference: -0.164 +/- 1.414 ppm DATA CS_STAT_INFO HN RMS: 0.718 ppm Count: 256 Average Difference: -0.019 +/- 0.719 ppm