1 MET 1 999.9900 .5321 999.9900 .9587 -1.2625 .0761 .1444 .5437 .3622 .1833 2 ALA 2 -1.9992 999.9900 999.9900 999.9900 -1.1070 -1.5531 -.0677 .3729 .1893 -.7003 3 ASP 3 -.7799 -2.0001 999.9900 999.9900 -.7687 -1.1829 -.1338 .5530 .2668 -.6259 4 THR 4 -4.2065 999.9900 .9776 999.9900 .4826 -.9155 .4766 -.0518 .1684 -.4643 5 GLY 5 -.3903 999.9900 999.9900 999.9900 .5943 .1020 -.8102 .5942 -.0299 -.0030 6 GLU 6 -.3386 -.3402 999.9900 .3501 -.3220 -.1627 .0744 .3838 .2549 -.0321 7 VAL 7 -.9687 999.9900 -.5532 999.9900 .8778 -.2147 -.6802 .6189 .0776 -.1411 8 GLN 8 -.3535 -.2368 999.9900 1.3059 .2680 .2459 -.9539 .6948 .0078 .1208 9 PHE 9 -.0244 .5389 999.9900 999.9900 .5949 .3698 .4589 .3713 .4078 .3879 10 MET 10 -.2922 -.0261 999.9900 .9587 -1.9874 -.3368 .0352 .0713 .0563 -.2068 11 LYS 11 -.8672 -2.9005 999.9900 .2495 -2.0338 -1.0605 .2276 -.5530 -.2278 -.8040 12 PRO 12 .0120 999.9900 999.9900 999.9900 .5793 .2956 -.2209 .3576 .1165 .1820 13 PHE 13 .0900 -.5453 999.9900 999.9900 -2.2412 -.8988 .4209 -.0322 .1566 -.4616 14 ILE 14 -.1408 .6227 999.9900 999.9900 .0546 .1788 .3374 .4598 .4088 .2667 15 SER 15 1.0911 999.9900 .3727 999.9900 .7781 .7473 .5535 .5983 .5796 .6788 16 GLU 16 .4426 1.1195 999.9900 -1.0323 .6424 .2930 .6754 .6442 .6572 .4153 17 LYS 17 -2.0221 .1550 999.9900 -.0770 .0525 -.3937 .4402 .3456 .3851 -.1690 18 SER 18 .8760 999.9900 -.7153 999.9900 .2374 .1327 .3653 .4846 .4349 .2496 19 SER 19 .1589 999.9900 .3727 999.9900 .1597 .2305 .4761 .4312 .4499 .3197 20 LYS 20 -3.5196 -.2970 999.9900 .6315 -.1497 -.5406 .4391 .3200 .3696 -.2777 21 SER 21 -.4229 999.9900 .6576 999.9900 .1597 .1315 .5340 .6741 .6157 .3205 22 LEU 22 -.5127 -1.4036 999.9900 999.9900 .6258 -.4302 -.1807 .1855 .0329 -.2572 23 GLU 23 -.9070 .0386 999.9900 -1.0323 .6899 -.3027 .0647 .5776 .3639 -.0947 24 ILE 24 -.0022 .6227 999.9900 999.9900 .1689 .2631 .3952 .6219 .5274 .3613 25 PRO 25 .5449 999.9900 999.9900 999.9900 .0500 .2974 .6383 .5429 .5826 .4440 26 LEU 26 .8786 -1.6805 999.9900 999.9900 .3346 -.1558 .3797 .4721 .4336 .0769 27 GLY 27 .9829 999.9900 999.9900 999.9900 .2782 .6305 .5185 .6950 .6166 .6187 28 PHE 28 -.0970 .0348 999.9900 999.9900 -.0962 -.0528 .5382 .4586 .4918 .1677 29 ASN 29 1.3908 -.3237 999.9900 999.9900 .5940 .5537 .5862 .6207 .6063 .5736 30 GLU 30 .0468 .4305 999.9900 -1.0323 .0339 -.1303 -.2295 .6090 .2596 -.0236 31 TYR 31 -.0710 .4960 999.9900 999.9900 .2066 .2105 .3594 .3480 .3528 .2678 32 PHE 32 -.2986 .8160 999.9900 999.9900 -.1944 .1077 .6678 .5193 .5811 .3020 33 PRO 33 -3.5209 999.9900 999.9900 999.9900 .0500 -1.7354 .3536 .1399 .2290 -.7443 34 ALA 34 -1.6256 999.9900 999.9900 999.9900 .0520 -.7868 .5887 .3660 .4588 -.1547 35 PRO 35 -.8433 999.9900 999.9900 999.9900 -1.3105 -1.0769 .6214 .5156 .5597 -.2542 36 PHE 36 -.9952 .5902 999.9900 999.9900 .7193 .1047 .3009 .4656 .3970 .2161 37 PRO 37 -1.1449 999.9900 999.9900 999.9900 .3519 -.3965 .3341 .6549 .5212 .0490 38 ILE 38 -3.1479 -.0177 999.9900 999.9900 .3195 -.9487 .3194 .4828 .4147 -.4088 39 THR 39 .3976 999.9900 -.8810 999.9900 .6695 .0620 .3182 .6358 .5035 .2280 40 VAL 40 -.0523 999.9900 -.0276 999.9900 .3189 .0797 -.3918 .2313 -.0284 .0157 41 ASP 41 -.5526 -2.0001 999.9900 999.9900 .6587 -.6313 .2603 .3813 .3309 -.2505 42 LEU 42 -.0536 -1.4262 999.9900 999.9900 .7753 -.2348 -.5008 .5051 .0860 -.1400 43 LEU 43 -.4930 -1.4996 999.9900 999.9900 .3346 -.5527 -1.8251 .5333 -.4494 -.5900 44 ASP 44 -.8144 -1.7105 999.9900 999.9900 .5733 -.6505 -.0175 .3742 .2110 -.3190 45 TYR 45 .6101 .2884 999.9900 999.9900 .2066 .3684 .3880 -.1550 .0713 .2676 46 SER 46 -.0963 999.9900 .3727 999.9900 .1597 .1454 .2457 .5129 .4015 .2389 47 GLY 47 -.2271 999.9900 999.9900 999.9900 .8277 .3003 -.0693 .4966 .2451 .2570 48 ARG 48 -.4155 -.7463 999.9900 .1593 .6728 -.0341 .4576 .3396 .3888 .0896 49 SER 49 -.5771 999.9900 -.0289 999.9900 .5740 -.0107 .4613 .5003 .4841 .1859 50 TRP 50 .0682 -1.3095 999.9900 999.9900 .0811 -.3867 -.1071 -.0763 -.0891 -.2687 51 THR 51 -.3093 999.9900 .2916 999.9900 -2.0584 -.6920 .1397 .5016 .3508 -.2870 52 VAL 52 -.0951 999.9900 .5873 999.9900 .5521 .3481 -.1996 .6043 .2694 .2898 53 ARG 53 -.4063 .8024 999.9900 .7862 -.0022 .3932 -.6115 .5674 .0762 .2746 54 MET 54 -.3206 .0756 999.9900 .9587 -.3043 .1023 -.2346 .3176 .0875 .0821 55 LYS 55 -.1665 1.1634 999.9900 .6177 -1.4057 .1653 .0685 .4522 .2923 .1925 56 LYS 56 -.3286 .7798 999.9900 .4778 -.4892 .1835 -1.4263 -.0721 -.6364 -.0830 57 ARG 57 -1.6049 .8024 999.9900 .1593 .5640 .0160 -.9984 .2428 -.2744 -.0965 58 GLY 58 -1.9441 999.9900 999.9900 999.9900 .0351 -.9545 -1.7371 .6397 -.4167 -.7516 59 GLU 59 -1.1689 -1.4588 999.9900 -1.0323 -.5746 -1.0586 .1404 .6570 .4417 -.5729 60 LYS 60 -.1715 .8340 999.9900 .9953 -.4892 .4328 -.4001 .5876 .1761 .3359 61 VAL 61 -.1853 999.9900 -.2457 999.9900 .1378 -.0977 .1637 .4175 .3117 .0576 62 PHE 62 -.0017 .8396 999.9900 999.9900 -1.5955 -.2525 .5784 .3826 .4642 .0407 63 LEU 63 -1.0430 .8847 999.9900 999.9900 -2.5031 -.8871 .0528 .2577 .1723 -.4702 64 THR 64 -4.2065 999.9900 .2916 999.9900 .6112 -1.1012 .1180 .3635 .2612 -.5644 65 VAL 65 -.6207 999.9900 .4980 999.9900 .6734 .1836 .0036 .4905 .2876 .2090 66 GLY 66 -1.2645 999.9900 999.9900 999.9900 -1.5458 -1.4052 .1630 .6853 .4532 -.4905 67 TRP 67 .4280 .5502 999.9900 999.9900 .9378 .6387 .0572 .3872 .2497 .4721 68 GLU 68 .6833 .8225 999.9900 -1.0323 -1.0906 -.1543 -.3029 -.0583 -.1602 -.1631 69 ASN 69 1.1678 -1.5725 999.9900 999.9900 .1585 -.0820 -1.1861 .3597 -.2843 -.2145 70 PHE 70 -.0803 -2.8600 999.9900 999.9900 -.1944 -1.0449 .1423 -.1848 -.0485 -.6354 71 VAL 71 .7260 999.9900 -1.0788 999.9900 .8960 .1811 -.2902 .6510 .2588 .1808 72 LYS 72 .8536 -.2970 999.9900 .8769 -1.4057 .1809 .4558 .6466 .5671 .2867 73 ASP 73 .2706 -.2599 999.9900 999.9900 .7118 .2408 .5419 .1914 .3374 .2912 74 ASN 74 .3429 -2.0766 999.9900 999.9900 -1.0852 -.9396 .5093 .0126 .2196 -.4594 75 ASN 75 -2.5793 -1.2512 999.9900 999.9900 -.1777 -1.3360 -.1252 .2342 .0845 -.7798 76 LEU 76 -2.2364 -.0413 999.9900 999.9900 -1.3910 -1.2229 -2.1353 -.8099 -1.3621 -1.3228 77 GLU 77 -.6897 -.1645 999.9900 -1.0323 .0339 -.4631 -.6002 -.4719 -.5254 -.4875 78 ASP 78 -.7312 -1.8420 999.9900 999.9900 .2216 -.7839 .1256 .2247 .1834 -.4003 79 GLY 79 -2.2927 999.9900 999.9900 999.9900 -1.2432 -1.7679 .0998 .1301 .1167 -.8265 80 LYS 80 -.7292 1.0637 999.9900 .3240 -1.4057 -.0846 .0437 .3875 .2442 .0011 81 TYR 81 .6005 .8492 999.9900 999.9900 .7784 .7427 -.5275 .5398 .0951 .4481 82 LEU 82 -.5178 -3.3760 999.9900 999.9900 -.0758 -1.3232 -1.0995 .1425 -.3750 -.9853 83 GLN 83 -.1966 1.2376 999.9900 1.3059 -.9446 .3506 -.9301 .2317 -.2524 .1173 84 PHE 84 -.2457 .8190 999.9900 999.9900 .4513 .3415 -.5478 .3700 -.0124 .1694 85 ILE 85 -.3198 -.0414 999.9900 999.9900 -.3927 -.2513 -.8617 .4269 -.1100 -.2377 86 TYR 86 .3730 .7421 999.9900 999.9900 -1.9776 -.2875 -.1431 .5946 .2872 -.0822 87 ASP 87 -1.2415 -1.1062 999.9900 999.9900 .7118 -.5453 -.8917 -.5655 -.7014 -.6186 88 ARG 88 -1.2223 -2.8571 999.9900 .9503 .5640 -.3230 .5133 .2633 .3675 -.1197 89 ASP 89 -1.2415 -.7325 999.9900 999.9900 -.2530 -.7423 -1.5142 -.1317 -.7078 -.7746 90 ARG 90 -.8418 .7735 999.9900 .1593 .7064 .1913 .2879 .5948 .4669 .2628 91 THR 91 .2328 999.9900 -.8810 999.9900 .9813 .1110 .1464 .5495 .3816 .2058 92 PHE 92 -.0168 .5510 999.9900 999.9900 .8629 .4657 -.5792 .6687 .1488 .2973 93 TYR 93 .2641 .2884 999.9900 999.9900 .3421 .2982 .0556 .2255 .1547 .2351 94 VAL 94 .3372 999.9900 -.5532 999.9900 .3827 .0556 -.4641 .5315 .1167 .0468 95 ILE 95 .1597 .6227 999.9900 999.9900 .4089 .3971 -.1871 .5350 .2341 .3079 96 ILE 96 .0718 -.0177 999.9900 999.9900 -2.8566 -.9342 -.0880 .5429 .2800 -.4695 97 TYR 97 -.4658 .5297 999.9900 999.9900 -.2672 -.0678 -.5432 .4098 .0127 -.0673 98 GLY 98 -1.5291 999.9900 999.9900 999.9900 .8277 -.3507 -1.1372 .5113 -.2214 -.3318 99 HIS 99 -.4125 -.1263 999.9900 999.9900 -1.0138 -.5175 .0580 .6281 .3906 -.1733 100 ASN 100 -.1896 -.5828 999.9900 999.9900 .4024 -.1233 .1301 .2101 .1768 -.0060 101 MET 101 -.8637 .5321 999.9900 .9587 .0476 .1687 -.3079 .3378 .0688 .1174 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 -.2067 .4938 .1936 .1389 Means: -.5115 -.2504 -.0217 .3391 -.0931 -.1983 -.0672 .3619 .1823 -.0660 2.00 refined_10