1 MET 1 999.9900 -1.1990 999.9900 .9587 .5203 .0933 .6736 .4993 .5785 .2906 2 ALA 2 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6620 .3182 .4615 -.4347 3 ASP 3 -2.2314 -3.1847 999.9900 999.9900 .8104 -1.5352 .6768 .3795 .5034 -.7099 4 THR 4 -.3846 999.9900 .2916 999.9900 .4476 .1182 .6595 -.2499 .1290 .1528 5 GLY 5 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5739 .4697 .5160 -.4136 6 GLU 6 -2.8104 -.3719 999.9900 .3501 .6899 -.5356 .6805 .5225 .5883 -.1565 7 VAL 7 -.0463 999.9900 -1.0788 999.9900 .7810 -.1147 .6643 .1176 .3454 .0876 8 GLN 8 -1.9302 -2.6982 999.9900 1.3059 .5113 -.7028 .6756 .5269 .5889 -.2681 9 PHE 9 .2240 -.8691 999.9900 999.9900 .7573 .0374 .6783 .1140 .3492 .1809 10 MET 10 -.2922 -2.0676 999.9900 .9587 .5203 -.2202 .6757 .5167 .5829 .0519 11 LYS 11 -.6340 -2.9005 999.9900 -.4035 .7460 -.7191 .4867 .1489 .2896 -.4229 12 PRO 12 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5425 -.3648 .0133 .2505 13 PHE 13 -.0168 -3.6820 999.9900 999.9900 .7573 -.9805 .6820 .0982 .3414 -.4323 14 ILE 14 -.0022 -1.5793 999.9900 999.9900 .6034 -.3260 .6524 .0472 .2993 -.0557 15 SER 15 .5661 999.9900 -.7153 999.9900 .6705 .1737 .6760 .5275 .5893 .3449 16 GLU 16 1.0761 -.9977 999.9900 -1.0323 .6899 -.0660 .6819 .5320 .5945 .1583 17 LYS 17 -.8267 -1.5918 999.9900 -.4035 .7460 -.4959 .6745 .1524 .3700 -.2361 18 SER 18 -.6212 999.9900 -.7153 999.9900 .6705 -.2220 .6773 .5298 .5913 .1082 19 SER 19 .1589 999.9900 -.7153 999.9900 .6705 .0380 .6750 .5260 .5881 .2630 20 LYS 20 -3.5196 -.9566 999.9900 -.4035 .7460 -.9075 .6796 .1517 .3717 -.5294 21 SER 21 -.6561 999.9900 -.7153 999.9900 .6705 -.2336 .6800 .5296 .5923 .1018 22 LEU 22 -.4108 -2.9612 999.9900 999.9900 .9565 -.8052 .6786 .1486 .3694 -.3177 23 GLU 23 -.3890 -.3402 999.9900 1.1588 .6899 .2799 .6771 .5196 .5852 .3860 24 ILE 24 .0813 .5533 999.9900 999.9900 .6034 .4127 .4697 .0504 .2251 .3516 25 PRO 25 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5419 -.3647 .0130 .1597 26 LEU 26 -.5228 -2.5464 999.9900 999.9900 .9565 -.7042 .6758 .1575 .3735 -.2559 27 GLY 27 .1734 999.9900 999.9900 999.9900 .7883 .4808 .5884 .4715 .5234 .5054 28 PHE 28 -1.7494 -2.5581 999.9900 999.9900 .7573 -1.1834 .6758 .0954 .3372 -.5558 29 ASN 29 1.1272 -.7732 999.9900 999.9900 .7518 .3686 .6726 .3814 .5027 .4320 30 GLU 30 .0468 -1.0407 999.9900 -1.0323 .6899 -.3341 .6734 .5225 .5853 -.0234 31 TYR 31 -.0710 -4.1972 999.9900 999.9900 .5630 -1.2351 .6720 -.1669 .1827 -.6400 32 PHE 32 -3.6149 -.4925 999.9900 999.9900 .7573 -1.1167 .4819 .1035 .2612 -.5529 33 PRO 33 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5409 -.3804 .0035 .2461 34 ALA 34 -.4433 999.9900 999.9900 999.9900 .7458 .1513 .4797 .3119 .3818 .2735 35 PRO 35 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5481 -.3757 .0092 .2604 36 PHE 36 -1.5081 -.9090 999.9900 999.9900 .7573 -.5533 .4884 .0936 .2581 -.2155 37 PRO 37 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5503 -.3509 .0246 .2092 38 ILE 38 -.1493 -2.2551 999.9900 999.9900 .6034 -.6003 .6541 .0360 .2935 -.2222 39 THR 39 -.5585 999.9900 -.8810 999.9900 .4476 -.3307 .6545 -.2634 .1191 -.1202 40 VAL 40 -.0582 999.9900 -1.0788 999.9900 .7810 -.1186 .6583 .1262 .3479 .0857 41 ASP 41 -1.0681 .2908 999.9900 999.9900 .8104 .0110 .6757 .3776 .5018 .2173 42 LEU 42 -.4930 -.0413 999.9900 999.9900 .9565 .1407 .6760 .1534 .3712 .2503 43 LEU 43 -.3571 -1.6139 999.9900 999.9900 .9565 -.3382 .6785 .1503 .3704 -.0371 44 ASP 44 -1.5212 -2.3194 999.9900 999.9900 .8104 -1.0101 .6803 .3963 .5146 -.3907 45 TYR 45 -3.6999 -4.1972 999.9900 999.9900 .5630 -2.4447 .6775 -.1742 .1807 -1.3662 46 SER 46 -3.7598 999.9900 -.7153 999.9900 .6705 -1.2682 .6792 .5274 .5906 -.5196 47 GLY 47 -2.1575 999.9900 999.9900 999.9900 .7883 -.6846 .5807 .4772 .5232 -.0778 48 ARG 48 -.5733 .6996 999.9900 1.2208 .8581 .6852 .6780 .5247 .5886 .6612 49 SER 49 -.0526 999.9900 -.7153 999.9900 .6705 -.0325 .6806 .5308 .5932 .2228 50 TRP 50 -.1951 -.6490 999.9900 999.9900 .9378 .0312 .6799 .1935 .3962 .1934 51 THR 51 .0164 999.9900 .0483 999.9900 .4476 .1707 .6630 -.2623 .1233 .1826 52 VAL 52 -.0582 999.9900 -.2457 999.9900 .7810 .1590 .6583 .1233 .3462 .2517 53 ARG 53 -.5383 -1.2607 999.9900 .1593 .8581 -.1244 .6777 .5169 .5839 .0818 54 MET 54 -.0824 -2.5481 999.9900 1.7963 .5203 -.0785 .6777 .5163 .5835 .1467 55 LYS 55 -.6340 -1.9682 999.9900 .6906 .7460 -.0950 .6781 .1519 .3711 .0507 56 LYS 56 -.2858 -.9203 999.9900 -.4035 .7460 -.2534 .6734 .1505 .3683 -.0633 57 ARG 57 -.4155 -1.1946 999.9900 .1593 .8581 -.0867 .6723 .5146 .5803 .1077 58 GLY 58 -1.4779 999.9900 999.9900 999.9900 .7883 -.3448 .5841 .4712 .5214 .0914 59 GLU 59 -1.0162 -1.1891 999.9900 1.7325 .6899 .0543 .6816 .5288 .5925 .2379 60 LYS 60 -.1665 -1.5918 999.9900 .1731 .7460 -.1332 .6738 .1693 .3795 .0253 61 VAL 61 .0815 999.9900 -1.0788 999.9900 .7810 -.0721 .6573 .1108 .3385 .1104 62 PHE 62 -.3916 -3.0602 999.9900 999.9900 .7573 -.8982 .6799 .0942 .3382 -.3841 63 LEU 63 -.7582 -3.3760 999.9900 999.9900 .9565 -1.0592 .6781 .1660 .3794 -.4667 64 THR 64 -4.2065 999.9900 -.8810 999.9900 .4476 -1.5467 .6519 -.2519 .1247 -.8480 65 VAL 65 -1.2071 999.9900 -1.0788 999.9900 .7810 -.5016 .6555 .1311 .3496 -.1436 66 GLY 66 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .5811 .4748 .5221 -.1535 67 TRP 67 -.6924 -3.3859 999.9900 999.9900 .9378 -1.0468 .6766 .1815 .3878 -.4565 68 GLU 68 .8733 -.9977 999.9900 -1.0323 .6899 -.1167 .6759 .5175 .5835 .1211 69 ASN 69 1.3908 -.7732 999.9900 999.9900 .7518 .4565 .6823 .3886 .5110 .4881 70 PHE 70 .8041 -1.8165 999.9900 999.9900 .7573 -.0850 .6793 .1082 .3462 .1065 71 VAL 71 .9834 999.9900 -1.0788 999.9900 .7810 .2286 .6584 .1198 .3442 .2928 72 LYS 72 .6780 -.8530 999.9900 -.4035 .7460 -.0472 .6788 .1608 .3766 .0862 73 ASP 73 .2706 -1.4542 999.9900 999.9900 .8104 -.1244 .6796 .3866 .5087 .1386 74 ASN 74 -.1320 -.8859 999.9900 999.9900 .7518 -.0887 .6757 .3794 .5029 .1578 75 ASN 75 -3.4329 .2165 999.9900 999.9900 .7518 -.8215 .6784 .3731 .5003 -.2826 76 LEU 76 -1.1512 .5047 999.9900 999.9900 .9565 .1033 .6783 .1505 .3704 .2278 77 GLU 77 -1.3743 -1.3804 999.9900 .3501 .6899 -.4287 .6714 .5262 .5867 -.0862 78 ASP 78 -.7312 -1.5978 999.9900 999.9900 .8104 -.5062 .6752 .3806 .5033 -.0926 79 GLY 79 -2.2927 999.9900 999.9900 999.9900 .7883 -.7522 .5854 .4804 .5270 -.1097 80 LYS 80 -.7069 -1.2293 999.9900 -.4035 .7460 -.3994 .6750 .1562 .3723 -.1666 81 TYR 81 -.0390 .4830 999.9900 999.9900 .5630 .3356 .6729 -.1812 .1747 .2997 82 LEU 82 -.4930 -1.8410 999.9900 999.9900 .9565 -.4592 .6764 .1573 .3736 -.1087 83 GLN 83 -1.0957 -2.6982 999.9900 1.3059 .5113 -.4942 .6730 .5150 .5809 -.1314 84 PHE 84 -.2457 .0967 999.9900 999.9900 .7573 .2028 .6799 .1009 .3422 .2778 85 ILE 85 -.0918 -1.2776 999.9900 999.9900 .6034 -.2554 .6556 .0396 .2963 -.0142 86 TYR 86 .4403 -2.7782 999.9900 999.9900 .5630 -.5916 .6696 -.1790 .1746 -.2569 87 ASP 87 -2.5838 -1.4992 999.9900 999.9900 .8104 -1.0909 .6786 .3821 .5056 -.4424 88 ARG 88 -2.9267 -2.8571 999.9900 .1593 .8581 -.9214 .6740 .5106 .5787 -.4889 89 ASP 89 -3.3417 -1.3712 999.9900 999.9900 .8104 -1.3008 .6758 .3663 .4952 -.5721 90 ARG 90 -2.5097 -1.2607 999.9900 .6901 .8581 -.3064 .6784 .5142 .5826 -.0485 91 THR 91 -.0150 999.9900 -.8810 999.9900 .4476 -.1495 .6572 -.2496 .1282 -.0082 92 PHE 92 .2013 -.3840 999.9900 999.9900 .7573 .1915 .6780 .0972 .3392 .2700 93 TYR 93 .2641 -.2104 999.9900 999.9900 .5630 .2056 .6753 -.1739 .1799 .2236 94 VAL 94 -.1817 999.9900 .6672 999.9900 .7810 .4222 .6499 .1219 .3419 .4077 95 ILE 95 -.7007 .9074 999.9900 999.9900 .6034 .2700 .6625 .0345 .2962 .3014 96 ILE 96 .3059 -2.0226 999.9900 999.9900 .6034 -.3711 .6561 .0443 .2992 -.0826 97 TYR 97 -.7539 .0738 999.9900 999.9900 .5630 -.0390 .6756 -.1699 .1824 .0777 98 GLY 98 -.2363 999.9900 999.9900 999.9900 .7883 .2760 .5781 .4805 .5239 .4026 99 HIS 99 -2.5191 -.1263 999.9900 999.9900 .6686 -.6589 .6840 .3306 .4779 -.1924 100 ASN 100 .1294 -2.0766 999.9900 999.9900 .7518 -.3985 .6790 .3856 .5079 -.0262 101 MET 101 -2.6662 -2.5481 999.9900 .9587 .5203 -.9338 .6687 .5099 .5760 -.4261 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .6853 .2430 .4325 .3526 Means: -.7762 -1.4435 -.6020 .2421 .7095 -.3279 .6518 .2116 .3958 -.0357 2.00 analyzed_2