1 MET 1 999.9900 1.0862 999.9900 .9587 .6950 .9133 .1364 .5205 .3459 .6793 2 ALA 2 -1.8133 999.9900 999.9900 999.9900 -1.6579 -1.7356 .3473 .5032 .4382 -.6552 3 ASP 3 -.6430 -1.3328 999.9900 999.9900 -2.9873 -1.6543 -.0089 .6023 .3476 -.8739 4 THR 4 -.1311 999.9900 .6346 999.9900 .5490 .3508 .2809 .2720 .2757 .3211 5 GLY 5 -1.7079 999.9900 999.9900 999.9900 .3466 -.6807 -1.6468 .5355 -.4344 -.6182 6 GLU 6 -2.8104 .7809 999.9900 -1.0323 .0339 -.7570 -.7121 .4967 -.0070 -.5406 7 VAL 7 -.0145 999.9900 -.5532 999.9900 .8778 .1034 -1.7729 .5083 -.4422 -.1909 8 GLN 8 -.3854 -.4838 999.9900 1.3059 .5636 .2501 -2.4124 .5524 -.6829 -.1433 9 PHE 9 .2406 .5902 999.9900 999.9900 .5949 .4752 -.3181 .5163 .1687 .3248 10 MET 10 -.2520 .5321 999.9900 .9587 .8447 .5209 .3603 .6303 .5178 .5123 11 LYS 11 -.7523 .0381 999.9900 -.0397 -.8987 -.3385 .5603 .5418 .5495 -.0843 12 PRO 12 .3744 999.9900 999.9900 999.9900 .2989 .3366 -.4533 .3131 -.0062 .1333 13 PHE 13 -.3673 -.1636 999.9900 999.9900 1.0159 .1617 .3737 .0882 .2071 .1894 14 ILE 14 -.7728 .6227 999.9900 999.9900 -2.8566 -1.0022 -.0263 .3708 .2054 -.5324 15 SER 15 .0086 999.9900 -.0289 999.9900 .9098 .2965 .2227 -.0159 .0835 .2193 16 GLU 16 .8733 1.1195 999.9900 -1.0323 .5390 .3749 .5454 .6601 .6123 .4508 17 LYS 17 -2.0221 -.2178 999.9900 -.4035 -2.0338 -1.0161 -.0192 .4541 .2569 -.6637 18 SER 18 .1178 999.9900 .6576 999.9900 -.1819 .1978 .2324 .3833 .3205 .2418 19 SER 19 .7489 999.9900 -.0289 999.9900 -1.1621 -.1473 .5594 .4767 .5111 .1188 20 LYS 20 -2.1934 .9683 999.9900 -.0397 -.2707 -.3151 .4996 .5399 .5231 -.0765 21 SER 21 .2423 999.9900 -.0289 999.9900 .5215 .2450 .1073 .5392 .3593 .2763 22 LEU 22 -.5127 -2.0611 999.9900 999.9900 .3346 -.7464 -.7219 .2263 -.1688 -.5470 23 GLU 23 -.9070 .7809 999.9900 -1.0323 -.3984 -.3892 -.1099 .5538 .2773 -.1855 24 ILE 24 -.0022 -.2003 999.9900 999.9900 .5300 .1091 .4136 .2826 .3372 .2047 25 PRO 25 -.2296 999.9900 999.9900 999.9900 -.8366 -.5331 .5381 .5328 .5350 .0012 26 LEU 26 .8786 -1.4036 999.9900 999.9900 .5293 .0014 .1255 .3089 .2325 .0877 27 GLY 27 .4759 999.9900 999.9900 999.9900 .5943 .5351 .4428 .6826 .5760 .5489 28 PHE 28 -.5116 .3244 999.9900 999.9900 .6382 .1504 .3122 .4833 .4120 .2493 29 ASN 29 .9310 .5017 999.9900 999.9900 .9106 .7811 .2628 .1832 .2164 .5579 30 GLU 30 -.2127 1.0525 999.9900 -1.0323 -1.0906 -.3208 .5893 .2694 .4027 -.0707 31 TYR 31 .3338 .4290 999.9900 999.9900 .1301 .2976 .4138 .4588 .4400 .3531 32 PHE 32 -1.6194 -.1460 999.9900 999.9900 .3416 -.4746 .0603 .1031 .0853 -.2521 33 PRO 33 -.7236 999.9900 999.9900 999.9900 .1827 -.2704 -2.0665 .0529 -.8302 -.6386 34 ALA 34 -.3936 999.9900 999.9900 999.9900 -.7624 -.5780 .2814 .2552 .2661 -.1548 35 PRO 35 .5449 999.9900 999.9900 999.9900 .6931 .6190 .2635 .4747 .3867 .4940 36 PHE 36 -1.3662 -.3506 999.9900 999.9900 .4513 -.4218 -.2147 .3560 .1182 -.2248 37 PRO 37 -.2410 999.9900 999.9900 999.9900 -.2912 -.2661 -.1212 .5949 .2965 -.0146 38 ILE 38 -1.6819 -.0177 999.9900 999.9900 .4912 -.4028 .3490 .5486 .4654 -.0622 39 THR 39 .3976 999.9900 -.2947 999.9900 .5164 .2064 .1498 .6525 .4430 .2843 40 VAL 40 -.0523 999.9900 -.0276 999.9900 -.0858 -.0552 -.0357 .0864 .0355 -.0230 41 ASP 41 -.9509 -1.5469 999.9900 999.9900 -.4783 -.9920 .1175 .3146 .2324 -.5088 42 LEU 42 .0291 .5280 999.9900 999.9900 -.9806 -.1412 -.2655 .1605 -.0170 -.1057 43 LEU 43 -.1196 -1.4996 999.9900 999.9900 .3346 -.4282 -.0951 -.0444 -.0655 -.2848 44 ASP 44 -.8144 -.7152 999.9900 999.9900 .0868 -.4809 .4054 -.0125 .1616 -.2100 45 TYR 45 -.3830 .8376 999.9900 999.9900 .8517 .4354 .6665 .3573 .4861 .4660 46 SER 46 .1093 999.9900 -.0289 999.9900 .5740 .2181 .6252 .6377 .6325 .3835 47 GLY 47 1.0314 999.9900 999.9900 999.9900 .7039 .8676 .1011 .6173 .3879 .6134 48 ARG 48 -.5733 1.0858 999.9900 .1593 .5640 .2790 -2.5434 .4578 -.7927 -.0986 49 SER 49 .0135 999.9900 .8786 999.9900 .3088 .4003 -.4225 .6115 .1807 .2780 50 TRP 50 -.2452 -1.0414 999.9900 999.9900 .2792 -.3358 -.4793 .4905 .0864 -.1992 51 THR 51 -1.0713 999.9900 .4804 999.9900 .2932 -.0992 -.8800 .5797 -.0285 -.1196 52 VAL 52 -.5494 999.9900 .1416 999.9900 -.0367 -.1482 -.9110 .5379 -.0658 -.1635 53 ARG 53 -.5160 .7037 999.9900 .1593 -1.7309 -.2449 -.0615 .0795 .0208 -.1724 54 MET 54 -.7108 .2906 999.9900 .9587 .3104 .2122 -.1780 .5446 .2435 .2026 55 LYS 55 -.1919 -1.5020 999.9900 .1140 -2.6618 -.8255 -.1499 .3284 .1291 -.5642 56 LYS 56 -.2858 .4083 999.9900 .7184 .8827 .4884 -5.0988 .2645 -1.9702 -.3417 57 ARG 57 -1.5415 -.0184 999.9900 .7862 .0662 .0157 -.7999 .2172 -.2066 -.0720 58 GLY 58 -.2363 999.9900 999.9900 999.9900 -.1350 -.1857 -.2128 .6660 .2754 .0205 59 GLU 59 -.4382 1.1195 999.9900 -1.0323 -1.8950 -.5615 .4906 .4243 .4520 -.2218 60 LYS 60 -.2345 1.1488 999.9900 .3240 .7872 .4699 .5226 .3982 .4500 .4672 61 VAL 61 -.0346 999.9900 .3968 999.9900 .2853 .2158 .3466 .4901 .4303 .2968 62 PHE 62 -.0244 .8396 999.9900 999.9900 -.9498 -.0449 .0901 .5361 .3503 .0983 63 LEU 63 -.8349 -1.9980 999.9900 999.9900 -2.5031 -1.7787 -.5794 .1833 -.1345 -1.1464 64 THR 64 -4.2065 999.9900 .6346 999.9900 -1.0006 -1.5242 .0969 .0531 .0713 -.8845 65 VAL 65 -.9399 999.9900 -1.0788 999.9900 -2.2406 -1.4197 -.0646 .5146 .2732 -.7619 66 GLY 66 -1.5840 999.9900 999.9900 999.9900 -1.5458 -1.5649 -.3210 .3735 .0648 -.7693 67 TRP 67 .4280 .5502 999.9900 999.9900 -.1614 .2723 .4234 .3758 .3957 .3232 68 GLU 68 .6116 .8332 999.9900 -1.0323 .5112 .2309 .0375 .6008 .3661 .2603 69 ASN 69 1.3908 1.0524 999.9900 999.9900 .3127 .9186 .2995 .6502 .5041 .7411 70 PHE 70 .8041 .5389 999.9900 999.9900 .1482 .4971 .5867 .6189 .6055 .5394 71 VAL 71 1.0462 999.9900 -1.0788 999.9900 -.3121 -.1149 .5562 .5567 .5565 .1536 72 LYS 72 .8536 .2165 999.9900 .2495 -1.4057 .0327 .4466 .4885 .4711 .1569 73 ASP 73 1.3227 -.5059 999.9900 999.9900 .4469 .4212 .0634 .3695 .2420 .3393 74 ASN 74 .0188 -.4258 999.9900 999.9900 -.8850 -.4306 .4989 .3579 .4167 -.0870 75 ASN 75 -2.3558 -.8859 999.9900 999.9900 .0387 -1.0677 -.7237 .1606 -.2078 -.7532 76 LEU 76 -.0411 .8847 999.9900 999.9900 -.1723 .2238 -.4589 .6060 .1623 .1637 77 GLU 77 -1.1499 .8793 999.9900 -1.0323 .4218 -.2203 .1924 .2081 .2015 -.0801 78 ASP 78 -.7312 -1.4542 999.9900 999.9900 -.5661 -.9172 -.0468 .6078 .3350 -.4381 79 GLY 79 -2.2927 999.9900 999.9900 999.9900 -.5578 -1.4252 .3058 .3949 .3553 -.5374 80 LYS 80 -.7762 -1.1257 999.9900 .1731 .8457 -.1420 .3966 .6243 .5294 .0444 81 TYR 81 .4403 .4149 999.9900 999.9900 -1.0119 -.0522 .3346 .3524 .3450 .1061 82 LEU 82 -.1655 .8730 999.9900 999.9900 -1.5756 -.2894 .5441 .4618 .4961 .0276 83 GLN 83 -.1966 .6267 999.9900 1.3059 -.1596 .3941 -.3806 .3263 .0317 .2537 84 PHE 84 -.2255 .7639 999.9900 999.9900 .5949 .3778 .4554 .1553 .2803 .3488 85 ILE 85 .2768 -.0414 999.9900 999.9900 -.3033 -.0226 .5195 .6290 .5834 .2161 86 TYR 86 .0500 .4609 999.9900 999.9900 -.4027 .0361 .5388 .3853 .4493 .2065 87 ASP 87 -.0929 -1.5978 999.9900 999.9900 .5431 -.3825 .3793 .5398 .4729 -.0457 88 ARG 88 -2.9267 .0264 999.9900 .1593 -.2445 -.5652 .1286 -.5760 -.2825 -.4677 89 ASP 89 -2.1057 -.7325 999.9900 999.9900 -.3974 -1.0785 -1.8864 .1778 -.6823 -.9888 90 ARG 90 -1.7561 1.0644 999.9900 2.0185 -.4506 .5789 .3112 .3498 .3337 .5080 91 THR 91 .1937 999.9900 -.8810 999.9900 .2504 -.1456 -.6391 .4176 -.0227 -.1317 92 PHE 92 .1032 .3647 999.9900 999.9900 .5949 .3542 -.8434 .5875 -.0087 .1614 93 TYR 93 .0686 .2608 999.9900 999.9900 -.4027 -.0244 .1804 .4658 .3469 .1146 94 VAL 94 .1158 999.9900 .3968 999.9900 -.5257 -.0044 .4168 .6829 .5720 .2173 95 ILE 95 .3059 -1.0451 999.9900 999.9900 .3195 -.1399 .0154 .4288 .2566 .0049 96 ILE 96 -.6670 -3.0500 999.9900 999.9900 -1.7278 -1.8149 -.6616 .6637 .1115 -1.0885 97 TYR 97 -.6832 .0164 999.9900 999.9900 -1.9776 -.8815 -.3809 .4083 .0795 -.5234 98 GLY 98 -2.9723 999.9900 999.9900 999.9900 -2.3699 -2.6711 .1632 -.0713 .0329 -1.3126 99 HIS 99 1.1487 -.9211 999.9900 999.9900 .5967 .2747 .5599 .5487 .5534 .3866 100 ASN 100 -2.8943 -.7217 999.9900 999.9900 .5588 -1.0191 .1715 -.3511 -.1334 -.6474 101 MET 101 -2.6662 .5321 999.9900 .9587 -.5376 -.4283 .2945 -1.0440 -.4863 -.4104 102 CYS 102 999.9900 999.9900 .8629 999.9900 999.9900 .8629 .1966 -.3312 -.1050 .2428 Means: -.4697 -.0153 .0555 .2045 -.2096 -.1835 -.0865 .3757 .1823 -.0579 2.00 refined_15