1 MET 1 999.9900 .5321 999.9900 .9587 .9122 .8010 .0193 .6394 .3575 .6123 2 ALA 2 -1.7824 999.9900 999.9900 999.9900 -.0105 -.8965 .1052 .6123 .4010 -.2689 3 ASP 3 -.3017 -.2599 999.9900 999.9900 .5121 -.0165 .0683 .5964 .3763 .1230 4 THR 4 -.4891 999.9900 -.2947 999.9900 .9813 .0658 .3324 .4013 .3726 .1862 5 GLY 5 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 -.4925 .5915 .1097 -.6498 6 GLU 6 -1.1689 -.5578 999.9900 -1.0323 1.0761 -.4207 -.4582 .2454 -.0478 -.3160 7 VAL 7 -.5494 999.9900 .1416 999.9900 .4989 .0304 -1.0926 .5994 -.1056 -.0804 8 GLN 8 -.6665 .6727 999.9900 1.3059 -.5521 .1900 -1.4232 .5626 -.2648 -.0168 9 PHE 9 .1414 .5902 999.9900 999.9900 .5949 .4422 -.8586 .4727 -.0820 .1881 10 MET 10 -.2922 .5321 999.9900 .9587 -1.9874 -.1972 .4670 -.1137 .1282 -.0726 11 LYS 11 -.2023 .5334 999.9900 .6315 .2547 .3698 .4274 .3653 .3912 .3774 12 PRO 12 .4011 999.9900 999.9900 999.9900 .7618 .5815 .1004 .0875 .0929 .3377 13 PHE 13 -.8715 -1.6164 999.9900 999.9900 -1.2178 -1.2352 .3336 .1588 .2316 -.6426 14 ILE 14 -1.2350 .6227 999.9900 999.9900 -2.1444 -.9189 .0251 .0878 .0617 -.5288 15 SER 15 .6370 999.9900 -.0289 999.9900 -.4586 .0498 .2830 .5967 .4660 .2058 16 GLU 16 1.0761 1.1195 999.9900 .3501 .6424 .7970 .3789 .5525 .4802 .6866 17 LYS 17 -1.4447 1.1776 999.9900 .5368 -.4892 .0635 -.0395 -.7542 -.4564 -.0680 18 SER 18 .8349 999.9900 .3727 999.9900 .7576 .6551 .6059 .6301 .6200 .6403 19 SER 19 .6980 999.9900 .8786 999.9900 -.8619 .2382 .6103 .6492 .6330 .3948 20 LYS 20 -2.7709 1.1488 999.9900 .3546 -.1497 -.2125 .4957 .6094 .5620 .0061 21 SER 21 -.2454 999.9900 .3727 999.9900 -.4586 -.1104 -.1348 .6515 .3239 .0371 22 LEU 22 -.5127 -2.2115 999.9900 999.9900 -.3368 -1.0203 -1.9274 -.1259 -.8765 -1.0229 23 GLU 23 -.4497 .5701 999.9900 -1.0323 .3899 -.1305 .0409 .3573 .2255 -.0206 24 ILE 24 -.3198 -.0177 999.9900 999.9900 -.1449 -.1608 .5339 .5906 .5669 .1284 25 PRO 25 .5449 999.9900 999.9900 999.9900 -.6674 -.0613 .6438 .6208 .6304 .2855 26 LEU 26 .8475 -1.4996 999.9900 999.9900 .7348 .0276 .2348 .4261 .3464 .1487 27 GLY 27 .5723 999.9900 999.9900 999.9900 .3016 .4369 .6073 .6880 .6521 .5423 28 PHE 28 -.5116 .3244 999.9900 999.9900 .5949 .1359 .5071 .4896 .4969 .2809 29 ASN 29 1.1678 .1037 999.9900 999.9900 .1006 .4574 .5549 .3592 .4408 .4573 30 GLU 30 .0468 .7809 999.9900 -1.0323 .4526 .0620 -.0221 .6205 .3528 .1411 31 TYR 31 -.3370 .8492 999.9900 999.9900 .6984 .4035 .4177 .6339 .5439 .4525 32 PHE 32 .1161 .6915 999.9900 999.9900 .7573 .5217 .4566 .6065 .5440 .5256 33 PRO 33 .1313 999.9900 999.9900 999.9900 .7618 .4466 .4205 -.0057 .1719 .3270 34 ALA 34 .6648 999.9900 999.9900 999.9900 -.4068 .1290 -.3561 -.0635 -.1854 -.0404 35 PRO 35 -3.1574 999.9900 999.9900 999.9900 -.0243 -1.5909 -.3051 .5607 .1999 -.7315 36 PHE 36 -.2986 .8160 999.9900 999.9900 -.7419 -.0748 -.0737 .5363 .2821 .0476 37 PRO 37 -1.9661 999.9900 999.9900 999.9900 .1827 -.8917 -.5896 .4605 .0230 -.4781 38 ILE 38 -2.9731 -.0414 999.9900 999.9900 .4089 -.8685 .1974 .5647 .4117 -.3687 39 THR 39 .3976 999.9900 -.8810 999.9900 -.6102 -.3645 -.2512 .6312 .2635 -.1427 40 VAL 40 -.3909 999.9900 -1.0788 999.9900 .6734 -.2654 -.4715 .2354 -.0591 -.2065 41 ASP 41 -.5526 -.9533 999.9900 999.9900 -.5661 -.6907 -.7273 .3578 -.0943 -.4883 42 LEU 42 .1006 .5315 999.9900 999.9900 -.0758 .1854 -.2560 .5370 .2066 .1675 43 LEU 43 -.1897 -1.6462 999.9900 999.9900 .7949 -.3470 -1.0005 .4912 -.1304 -.3101 44 ASP 44 -1.2094 -1.4542 999.9900 999.9900 -.1266 -.9300 .4507 .3772 .4078 -.3924 45 TYR 45 -.9465 .7834 999.9900 999.9900 .2066 .0145 .2866 .5975 .4680 .1855 46 SER 46 .5661 999.9900 .8786 999.9900 .5215 .6554 .3972 .3766 .3852 .5480 47 GLY 47 1.1139 999.9900 999.9900 999.9900 .8277 .9708 .3123 .6121 .4788 .7165 48 ARG 48 -.5733 1.0644 999.9900 .1593 .7064 .3032 -.1957 .6287 .2852 .2784 49 SER 49 .0374 999.9900 -.0289 999.9900 -.0193 -.0036 -.3360 .5941 .2065 .0495 50 TRP 50 .1337 -1.4740 999.9900 999.9900 -.1614 -.5006 -1.8536 -.2230 -.9024 -.7157 51 THR 51 -1.0713 999.9900 .2916 999.9900 -1.3910 -.7235 -.5964 .2499 -.1027 -.5034 52 VAL 52 -.9687 999.9900 -.5532 999.9900 .7810 -.2469 -.7744 .5449 -.0048 -.1941 53 ARG 53 -.5383 .7395 999.9900 .6901 -1.7309 -.0299 -.0986 .4004 .1925 .0217 54 MET 54 -.3503 .8879 999.9900 .9587 .5203 .5042 -.1369 .5521 .2650 .4053 55 LYS 55 -.2345 1.0637 999.9900 1.0822 -.6710 .4645 .1993 .5884 .4263 .4443 56 LYS 56 -.4232 .1761 999.9900 .5131 .6340 .2826 -3.5020 .3390 -1.2614 -.2500 57 ARG 57 -1.1879 .8024 999.9900 2.3100 -1.7309 .5007 -.6286 .4658 .0098 .3344 58 GLY 58 -1.1938 999.9900 999.9900 999.9900 .6270 -.2834 -1.3709 .5938 -.2794 -.3360 59 GLU 59 -1.0162 1.1195 999.9900 -1.0323 -.6780 -.4018 .4277 .6561 .5609 -.0872 60 LYS 60 -.8010 .1550 999.9900 -.4035 .5850 -.1736 .4217 .6105 .5318 .0235 61 VAL 61 -.9687 999.9900 .2799 999.9900 -2.2406 -.9765 .3900 .5876 .5053 -.3904 62 PHE 62 -.2058 .1972 999.9900 999.9900 -.0075 -.0053 .1609 .4034 .3024 .1097 63 LEU 63 -.8349 -1.6805 999.9900 999.9900 -1.0998 -1.2051 -.5454 .2012 -.1099 -.7919 64 THR 64 -2.8292 999.9900 -.8810 999.9900 .2932 -1.1390 .0322 -.0409 -.0104 -.6851 65 VAL 65 -.4192 999.9900 -1.0788 999.9900 -1.5772 -1.0250 .0150 .0814 .0537 -.5958 66 GLY 66 -1.1938 999.9900 999.9900 999.9900 -.9224 -1.0581 .6091 .4519 .5217 -.2638 67 TRP 67 .9492 -.0877 999.9900 999.9900 .4467 .4361 .0308 .3299 .2053 .3338 68 GLU 68 .4426 .8332 999.9900 -1.0323 -.4821 -.0596 .1196 .4315 .3016 .0521 69 ASN 69 .9310 -.1227 999.9900 999.9900 .6279 .4788 .0708 .5749 .3649 .4164 70 PHE 70 .6259 .3192 999.9900 999.9900 -.0962 .2829 .2009 .6531 .4647 .3406 71 VAL 71 1.0462 999.9900 -1.0788 999.9900 .6959 .2211 -.4333 .4424 .0775 .1345 72 LYS 72 .6780 .1966 999.9900 .9771 .0525 .5763 .5017 .1398 .2906 .5032 73 ASP 73 .2706 -1.1062 999.9900 999.9900 -1.3622 -.7326 .5961 .4364 .5029 -.2331 74 ASN 74 -.0480 .3778 999.9900 999.9900 -.4633 -.0445 .4761 .0294 .2155 .0744 75 ASN 75 -2.1824 .2165 999.9900 999.9900 .5588 -.4690 .1408 .2866 .2258 -.1960 76 LEU 76 -2.2364 -1.5832 999.9900 999.9900 .2713 -1.1828 -.9263 -.2495 -.5315 -.9448 77 GLU 77 -1.2742 -.4584 999.9900 -1.0323 .1264 -.6596 .2401 .3843 .3242 -.3357 78 ASP 78 -.9954 -1.0518 999.9900 999.9900 .0868 -.6535 -.7637 .5262 -.0113 -.4396 79 GLY 79 -1.9441 999.9900 999.9900 999.9900 .3466 -.7988 -.1132 .5679 .2652 -.2857 80 LYS 80 -.3350 .2165 999.9900 .3546 -1.6664 -.2151 .0648 .5483 .3469 -.0661 81 TYR 81 .2346 -1.2283 999.9900 999.9900 -1.9776 -.9905 .2286 -.2759 -.0657 -.6037 82 LEU 82 -.6392 -3.3760 999.9900 999.9900 .5787 -1.1455 .2492 .3753 .3228 -.5624 83 GLN 83 -.1966 .4660 999.9900 1.3059 1.1269 .6756 .4523 .3935 .4180 .5913 84 PHE 84 -.0803 .1033 999.9900 999.9900 -1.2178 -.3983 .2585 .4335 .3606 -.1005 85 ILE 85 .3408 -2.2551 999.9900 999.9900 .4912 -.4744 -.0835 .2475 .1096 -.2518 86 TYR 86 -.1271 .7421 999.9900 999.9900 -1.0119 -.1323 .5098 .4700 .4866 .1166 87 ASP 87 -1.2415 -.9533 999.9900 999.9900 -.1266 -.7738 .6043 .5746 .5870 -.2285 88 ARG 88 -1.3837 .1897 999.9900 .1593 .7064 -.0338 .3142 .4093 .3697 .0792 89 ASP 89 -3.3417 -.4801 999.9900 999.9900 -1.8780 -1.8999 -.4861 .4308 .0488 -1.1510 90 ARG 90 -1.1245 -2.8571 999.9900 1.4811 .6017 -.0836 -.2163 .5994 .2595 -.0050 91 THR 91 .1314 999.9900 -.8810 999.9900 .3342 -.1385 .0416 .5085 .3140 .0269 92 PHE 92 .1161 .5510 999.9900 999.9900 -.0075 .2199 .1105 .2064 .1664 .1953 93 TYR 93 -.2255 .8258 999.9900 999.9900 .3421 .3141 .1097 .5831 .3858 .3270 94 VAL 94 .3372 999.9900 .5873 999.9900 -.7002 .0748 -.2208 .6867 .3085 .1380 95 ILE 95 .3408 -2.2551 999.9900 999.9900 .4912 -.4744 -.5475 .2452 -.0851 -.3451 96 ILE 96 .0718 -1.0451 999.9900 999.9900 .5300 -.1478 -.3572 .5646 .1805 -.0472 97 TYR 97 -.6832 .8492 999.9900 999.9900 .3421 .1693 -1.1099 .5331 -.1515 -.0138 98 GLY 98 -2.6716 999.9900 999.9900 999.9900 .8277 -.9219 -1.0691 .3610 -.2746 -.6380 99 HIS 99 -3.0884 .4588 999.9900 999.9900 -.1902 -.9399 .2927 .6164 .4815 -.3821 100 ASN 100 -2.1824 -.5009 999.9900 999.9900 .4840 -.7331 .5609 .5485 .5537 -.2180 101 MET 101 -1.8017 .5321 999.9900 .9587 .4206 .0274 .3667 .4317 .4046 .1514 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .5566 .1704 .3359 .2856 Means: -.5519 -.1059 -.1501 .4691 -.0457 -.1575 -.0708 .4064 .2067 -.0323 2.00 refined_15