1 MET 1 999.9900 .0095 999.9900 .9587 .6113 .5265 .4805 .6319 .5631 .5384 2 ALA 2 -2.8370 999.9900 999.9900 999.9900 .0520 -1.3925 .4819 .4761 .4785 -.4568 3 ASP 3 -.7969 -.3623 999.9900 999.9900 .6026 -.1856 .2785 .5548 .4397 .0553 4 THR 4 .8748 999.9900 .0483 999.9900 .7246 .5492 -.3031 .2738 .0334 .3237 5 GLY 5 -2.4582 999.9900 999.9900 999.9900 -.4997 -1.4790 -1.2249 .0452 -.5193 -1.0344 6 GLU 6 -.6559 -.3402 999.9900 -1.0323 -1.5390 -.8919 .2464 .6257 .4676 -.4492 7 VAL 7 .0764 999.9900 -.0276 999.9900 .6503 .2331 -.1237 .3819 .1712 .1915 8 GLN 8 -.4424 .4660 999.9900 1.3059 -.0576 .3179 .2750 .6624 .5010 .3682 9 PHE 9 -.0559 .8308 999.9900 999.9900 .8629 .5459 -.6379 .2838 -.1002 .2567 10 MET 10 -.2922 -.2135 999.9900 1.7963 -.8385 .1130 .5223 .4705 .4921 .2408 11 LYS 11 -.2978 -1.8181 999.9900 .5368 -.4103 -.2905 -.1538 -.0040 -.0664 -.2301 12 PRO 12 .4049 999.9900 999.9900 999.9900 .5793 .4921 -.3024 .2060 -.0058 .2219 13 PHE 13 .0058 -.1118 999.9900 999.9900 .5495 .1478 .0974 -.1484 -.0460 .0785 14 ILE 14 .0187 -3.0500 999.9900 999.9900 -1.7278 -1.5864 .1171 .3866 .2743 -.8511 15 SER 15 .5661 999.9900 -.7153 999.9900 .5215 .1241 .4988 .4244 .4554 .2591 16 GLU 16 .8733 1.1195 999.9900 -1.0323 -.3984 .1405 .5045 .6011 .5608 .2779 17 LYS 17 -2.0221 -2.1617 999.9900 .5131 -1.6664 -.9648 .0247 .0296 .0275 -.6814 18 SER 18 .1386 999.9900 -.0289 999.9900 .3425 .1507 .0156 .5714 .3398 .2078 19 SER 19 .8349 999.9900 -.7153 999.9900 .5215 .2137 -.2264 .5825 .2455 .1994 20 LYS 20 -2.5748 1.2989 999.9900 .3546 .5850 .0037 .5393 .3285 .4163 .1266 21 SER 21 .0280 999.9900 -.0289 999.9900 .5215 .1735 .1180 .4906 .3353 .2258 22 LEU 22 -.1775 -2.3037 999.9900 999.9900 .5787 -.6342 -.0146 .1994 .1102 -.3435 23 GLU 23 -.7937 -.4584 999.9900 .3501 .3899 -.1280 .1826 .1263 .1498 -.0339 24 ILE 24 -.0879 -.5821 999.9900 999.9900 .9338 .0880 .5406 .5188 .5278 .2646 25 PRO 25 .4197 999.9900 999.9900 999.9900 -.1935 .1131 .4354 .5804 .5200 .3105 26 LEU 26 .4996 -1.4996 999.9900 999.9900 .7139 -.0954 .4919 .4293 .4554 .1270 27 GLY 27 .9829 999.9900 999.9900 999.9900 .8277 .9053 .6571 .6838 .6719 .7879 28 PHE 28 .0766 .4845 999.9900 999.9900 -.7419 -.0603 .6036 .5126 .5505 .1871 29 ASN 29 1.3908 -1.5725 999.9900 999.9900 .5940 .1375 .5568 .5934 .5782 .3125 30 GLU 30 -.2127 1.1195 999.9900 .3501 .0814 .3346 .6932 .5671 .6197 .4331 31 TYR 31 .6431 -.4641 999.9900 999.9900 -.0463 .0442 .5960 .5670 .5791 .2592 32 PHE 32 -3.6149 -.9508 999.9900 999.9900 -.3041 -1.6232 -.0802 -.0340 -.0532 -.9968 33 PRO 33 .0120 999.9900 999.9900 999.9900 -1.3105 -.6493 -1.8846 .1457 -.7003 -.7594 34 ALA 34 -.4433 999.9900 999.9900 999.9900 -1.3426 -.8929 .3638 .3772 .3716 -.2612 35 PRO 35 .5449 999.9900 999.9900 999.9900 .1827 .3638 .3711 .5280 .4626 .4067 36 PHE 36 -.8715 .1164 999.9900 999.9900 .2172 -.1793 -.1879 .5081 .2181 -.0435 37 PRO 37 -1.1449 999.9900 999.9900 999.9900 .5793 -.2828 -.3678 .6051 .1997 -.0821 38 ILE 38 -1.3063 -.0177 999.9900 999.9900 .6382 -.2286 .3789 .3641 .3703 .0115 39 THR 39 .3976 999.9900 .0483 999.9900 -.0562 .1299 .4607 .6602 .5771 .3021 40 VAL 40 -.0523 999.9900 -.2457 999.9900 -.8010 -.3663 -.0910 -.0593 -.0725 -.2499 41 ASP 41 -.5526 -2.1980 999.9900 999.9900 .0375 -.9044 .2748 .5722 .4483 -.3732 42 LEU 42 .1006 .5402 999.9900 999.9900 -.0308 .2033 -.7848 .4564 -.0608 .0563 43 LEU 43 -.3896 -1.4262 999.9900 999.9900 -.7775 -.8644 -.8946 .5448 -.0549 -.5886 44 ASP 44 -1.0941 -.8657 999.9900 999.9900 -.0689 -.6762 .2783 .3385 .3134 -.2824 45 TYR 45 .3981 .2884 999.9900 999.9900 .6556 .4474 .6235 .5976 .6084 .5126 46 SER 46 .6980 999.9900 .6576 999.9900 .0290 .4615 .5324 .6121 .5789 .5058 47 GLY 47 -.2271 999.9900 999.9900 999.9900 .6890 .2310 .5902 .3466 .4549 .3497 48 ARG 48 -.4155 .8164 999.9900 .1593 .8581 .3155 .4842 .1800 .3068 .3203 49 SER 49 -.0526 999.9900 -.7153 999.9900 .0747 -.2311 -.0083 .5898 .3406 -.0223 50 TRP 50 .1337 -.2441 999.9900 999.9900 .0811 -.0098 -.1084 .4421 .2127 .0609 51 THR 51 -.2319 999.9900 .2916 999.9900 -.7236 -.2213 -.1178 .5621 .2788 -.0439 52 VAL 52 -.3637 999.9900 -.5532 999.9900 .6959 -.0737 -.0518 .6467 .3556 .0748 53 ARG 53 -.5160 1.1781 999.9900 .5548 -2.3710 -.1199 .3373 .5690 .4725 .0439 54 MET 54 -.3206 .5321 999.9900 .9587 .4206 .3977 .5625 .2890 .4030 .4071 55 LYS 55 -.1765 -2.1617 999.9900 .4405 -.3378 -.3590 -.1707 .4386 .1847 -.2182 56 LYS 56 -.2858 -.1469 999.9900 .3546 .5850 .1723 -4.6594 .1743 -1.8398 -.5176 57 ARG 57 -1.7561 1.1699 999.9900 .9503 -1.0907 .0447 .0935 .4713 .3139 .1126 58 GLY 58 -2.6716 999.9900 999.9900 999.9900 -1.2432 -1.9574 -.1838 .3368 .1054 -.9404 59 GLU 59 -.5578 1.0525 999.9900 -1.0323 -.7952 -.3332 .4070 .3994 .4026 -.0877 60 LYS 60 -1.2734 .0381 999.9900 .5368 -1.4057 -.3135 -.2715 .1177 -.0445 -.2459 61 VAL 61 .0815 999.9900 .9224 999.9900 -.8010 .0676 -.8527 .1735 -.2541 -.0953 62 PHE 62 -.3916 -.7766 999.9900 999.9900 .9272 -.0804 -.2516 .1557 -.0140 -.0674 63 LEU 63 -.7094 -1.6805 999.9900 999.9900 .2381 -.7172 -.8654 .3315 -.1672 -.5371 64 THR 64 -4.2065 999.9900 .0483 999.9900 -1.3910 -1.8498 .3127 .2483 .2752 -.9976 65 VAL 65 -1.2071 999.9900 .1416 999.9900 -2.9040 -1.3232 -.3527 .2293 -.0132 -.8186 66 GLY 66 -2.0431 999.9900 999.9900 999.9900 -1.2432 -1.6432 -1.0675 -.0364 -.4947 -1.0976 67 TRP 67 .4280 .5502 999.9900 999.9900 -.4740 .1681 .3965 .5081 .4616 .2818 68 GLU 68 .8733 .7809 999.9900 -1.0323 .7566 .3446 .4970 .6246 .5714 .4167 69 ASN 69 1.0488 -.0024 999.9900 999.9900 .6605 .5690 -.2519 .6137 .2530 .4137 70 PHE 70 .6259 .6387 999.9900 999.9900 -.0962 .3894 .4742 .5527 .5200 .4390 71 VAL 71 .9834 999.9900 -1.0788 999.9900 .5258 .1435 .0545 .5272 .3302 .2024 72 LYS 72 .8536 1.1488 999.9900 .1731 -1.2036 .2290 .4137 .3290 .3643 .2697 73 ASP 73 .9921 -.7325 999.9900 999.9900 .6310 .2969 .3699 .4559 .4201 .3433 74 ASN 74 -.1320 .3778 999.9900 999.9900 .4442 .2300 .4781 .4134 .4404 .3163 75 ASN 75 -2.8943 .2165 999.9900 999.9900 .1585 -.8398 .1826 .3854 .3009 -.3903 76 LEU 76 -.8188 -2.9612 999.9900 999.9900 .7348 -1.0151 -.0683 -.0951 -.0839 -.6417 77 GLU 77 -1.9801 -1.0866 999.9900 -1.0323 .0339 -1.0163 .2709 -.0523 .0824 -.6411 78 ASP 78 -1.3872 -3.1847 999.9900 999.9900 -.3226 -1.6315 -.1869 .4202 .1673 -.9322 79 GLY 79 -1.3026 999.9900 999.9900 999.9900 -.9224 -1.1125 .1770 .3123 .2522 -.4339 80 LYS 80 -.5681 1.1488 999.9900 .2495 -1.6664 -.1173 .1655 .1203 .1391 -.0430 81 TYR 81 .3730 -1.2283 999.9900 999.9900 -.2672 -.3742 .3238 -.0765 .0903 -.1751 82 LEU 82 -.4738 .8730 999.9900 999.9900 -1.2350 -.2786 .4502 .4759 .4652 .0181 83 GLN 83 -.1803 .8911 999.9900 1.3059 .2680 .5712 -.9248 -.2465 -.5291 .1856 84 PHE 84 -.2986 .1608 999.9900 999.9900 -.0075 -.0484 -.8815 .5812 -.0282 -.0891 85 ILE 85 .2768 .2838 999.9900 999.9900 .4912 .3506 -1.1381 .5102 -.1766 .0848 86 TYR 86 .0686 .2264 999.9900 999.9900 .6556 .3169 .2070 .4533 .3507 .3222 87 ASP 87 -1.1787 -1.1062 999.9900 999.9900 .9215 -.4545 -.1195 -.2764 -.2110 -.3519 88 ARG 88 -1.4318 -.3921 999.9900 .1593 .0662 -.2878 -.1558 .4079 .1731 -.1696 89 ASP 89 -1.5723 -.5059 999.9900 999.9900 .7118 -.4555 -1.9396 -.2943 -.9799 -.7201 90 ARG 90 -1.2223 -.1588 999.9900 .1593 -.4506 -.3026 -.1811 .2415 .0654 -.2075 91 THR 91 .2184 999.9900 .2916 999.9900 .4826 .3309 -.2307 .3016 .0798 .2127 92 PHE 92 .1161 .0765 999.9900 999.9900 .1482 .1136 -.0735 .3818 .1921 .1298 93 TYR 93 .0500 .2608 999.9900 999.9900 -.2672 .0145 .0770 .4957 .3213 .1233 94 VAL 94 .2313 999.9900 .6672 999.9900 .5521 .4835 .2590 .6837 .5067 .4787 95 ILE 95 .2768 .6227 999.9900 999.9900 .4912 .4636 .3425 .6119 .4997 .4690 96 ILE 96 -.1408 -1.0451 999.9900 999.9900 -2.8566 -1.3475 .1474 .6316 .4298 -.6527 97 TYR 97 -.6832 .8376 999.9900 999.9900 -.4027 -.0828 -.1908 .3667 .1344 -.0145 98 GLY 98 -1.0699 999.9900 999.9900 999.9900 .8277 -.1211 .2320 .5377 .4018 .1319 99 HIS 99 -3.0884 -.0777 999.9900 999.9900 .5185 -.8825 -.9121 .2128 -.2559 -.6694 100 ASN 100 -.6931 -1.0148 999.9900 999.9900 .8079 -.3000 .1922 .5182 .3824 -.0379 101 MET 101 -1.5488 .8879 999.9900 .9587 .3104 .1521 -.1803 .5431 .2417 .1618 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 -.0438 .1862 .0876 .0907 Means: -.4563 -.2588 -.0454 .3361 -.0786 -.1804 -.0279 .3730 .2052 -.0456 2.00 refined_10