1 MET 1 999.9900 .0095 999.9900 .9587 .3104 .4262 -.0561 .5765 .2890 .3598 2 ALA 2 -1.6986 999.9900 999.9900 999.9900 .8416 -.4285 .4149 .5578 .4982 .0289 3 ASP 3 -3.3417 -.5059 999.9900 999.9900 .5431 -1.1015 -.0229 .3042 .1679 -.6046 4 THR 4 .1579 999.9900 -.8810 999.9900 .7766 .0178 .0621 .3817 .2486 .0995 5 GLY 5 -1.4779 999.9900 999.9900 999.9900 .4101 -.5339 -.4765 .5607 .0998 -.2459 6 GLU 6 -.4269 -.3402 999.9900 -1.0323 .5112 -.3221 .0195 .6070 .3622 -.1103 7 VAL 7 .0764 999.9900 -.5532 999.9900 .8778 .1337 .0689 .6082 .3835 .2156 8 GLN 8 -.4190 .6816 999.9900 2.7911 .2680 .8304 .1145 .6563 .4306 .6821 9 PHE 9 .2406 .8308 999.9900 999.9900 .4513 .5076 -.3096 .4018 .1054 .3230 10 MET 10 -.2922 .2906 999.9900 .9587 .0476 .2512 .3635 .5881 .4945 .3261 11 LYS 11 -.6340 .3574 999.9900 -.0397 -2.0338 -.4780 .4594 .4322 .4435 -.2140 12 PRO 12 .6201 999.9900 999.9900 999.9900 -.1935 .2133 -.0961 .5029 .2533 .2084 13 PHE 13 -.0400 -.0015 999.9900 999.9900 .6382 .1989 .3018 -.1136 .0595 .1570 14 ILE 14 -.3198 -3.0500 999.9900 999.9900 -1.0155 -1.4618 -.3564 .2541 -.0003 -.8975 15 SER 15 .8760 999.9900 -.7153 999.9900 .5740 .2449 .0191 .6618 .3940 .2831 16 GLU 16 .1025 -2.8418 999.9900 -1.0323 -1.8950 -1.4167 .1845 .3293 .2690 -.8588 17 LYS 17 -1.4779 .8596 999.9900 .3240 .0060 .0072 .5210 .3054 .3953 .1232 18 SER 18 .4640 999.9900 -.0289 999.9900 .7151 .3834 .3806 .5580 .4841 .4178 19 SER 19 .6980 999.9900 -.0289 999.9900 -.3096 .1198 .4623 .6712 .5842 .2986 20 LYS 20 -2.1934 .1550 999.9900 .2495 .7460 -.1587 .0857 .6169 .3956 -.0130 21 SER 21 -.2454 999.9900 .3727 999.9900 .5740 .2338 -1.6196 .3852 -.4501 -.1066 22 LEU 22 -.2787 -2.3037 999.9900 999.9900 -.6084 -1.0636 -.5615 .2030 -.1156 -.7099 23 GLU 23 -.5440 -.9977 999.9900 -1.0323 .0814 -.6232 -.6102 .3854 -.0294 -.4529 24 ILE 24 .3543 .6227 999.9900 999.9900 .4912 .4894 .4300 .5372 .4926 .4871 25 PRO 25 .1514 999.9900 999.9900 999.9900 .8563 .5038 .5942 .5073 .5435 .5273 26 LEU 26 .2872 -1.6805 999.9900 999.9900 .4774 -.3053 .3710 .5539 .4777 .0018 27 GLY 27 .5723 999.9900 999.9900 999.9900 .7039 .6381 .6241 .6792 .6547 .6449 28 PHE 28 -.0970 .3244 999.9900 999.9900 -1.2178 -.3302 .5224 .4578 .4847 -.0020 29 ASN 29 1.3908 -1.2512 999.9900 999.9900 .5588 .2328 .2785 .5408 .4315 .3036 30 GLU 30 -.2702 -.3559 999.9900 -1.0323 .6899 -.2421 .3157 .4957 .4207 -.0262 31 TYR 31 -.0083 -.4770 999.9900 999.9900 .9193 .1447 .4468 .5577 .5115 .2877 32 PHE 32 -2.2209 -.0709 999.9900 999.9900 -.0075 -.7664 .1008 .3231 .2305 -.3751 33 PRO 33 -.7236 999.9900 999.9900 999.9900 .4949 -.1143 -1.8626 .1878 -.6666 -.4759 34 ALA 34 -.6837 999.9900 999.9900 999.9900 -2.1366 -1.4101 .4562 .5261 .4969 -.4595 35 PRO 35 .5449 999.9900 999.9900 999.9900 -.1935 .1757 .6181 .4465 .5180 .3540 36 PHE 36 -.8715 .0697 999.9900 999.9900 .6382 -.0545 -.3419 .4344 .1109 -.0142 37 PRO 37 -2.4417 999.9900 999.9900 999.9900 -.1935 -1.3176 -.6904 .6448 .0884 -.6702 38 ILE 38 -1.8127 -3.0500 999.9900 999.9900 .9338 -1.3096 -.0330 .4669 .2586 -.6990 39 THR 39 .0347 999.9900 .7650 999.9900 .4476 .4157 .3768 .6064 .5108 .4461 40 VAL 40 -.3161 999.9900 .5873 999.9900 .6503 .3072 -.3529 -.2098 -.2694 .0718 41 ASP 41 -.5526 -.9533 999.9900 999.9900 .6026 -.3011 -.0482 .4342 .2332 -.1035 42 LEU 42 .0291 .5402 999.9900 999.9900 .3942 .3211 -1.3391 .4011 -.3240 .0051 43 LEU 43 -.1897 -1.8410 999.9900 999.9900 .6258 -.4683 -1.1018 .4977 -.1688 -.4018 44 ASP 44 -.6569 -1.7105 999.9900 999.9900 -.3226 -.8967 .3115 .3882 .3562 -.3981 45 TYR 45 .6101 .5582 999.9900 999.9900 -.2672 .3004 .4978 .3243 .3966 .3446 46 SER 46 .1093 999.9900 .3727 999.9900 -.7427 -.0869 .5131 .6358 .5847 .1776 47 GLY 47 -.2271 999.9900 999.9900 999.9900 .8277 .3003 .5737 .5521 .5617 .4316 48 ARG 48 -.6502 -2.3766 999.9900 .1593 .4407 -.4535 -.3800 -.1137 -.2247 -.3945 49 SER 49 -.2734 999.9900 -.0289 999.9900 -.0193 -.1072 .2648 .6495 .4892 .1186 50 TRP 50 -.1712 -.2441 999.9900 999.9900 -1.6678 -.6944 -.1029 .3525 .1627 -.3667 51 THR 51 -.2319 999.9900 .7650 999.9900 -1.0006 -.1558 -.6266 .4151 -.0190 -.1358 52 VAL 52 -.1853 999.9900 .3968 999.9900 .8960 .3692 -1.1863 .4429 -.2359 .0728 53 ARG 53 -.5160 .0785 999.9900 .5548 .6017 .2548 -.0702 .2377 .1094 .2059 54 MET 54 -.2651 -1.1990 999.9900 .9587 -.3043 -.2024 -.9316 .4278 -.1386 -.2189 55 LYS 55 -.2023 .8596 999.9900 .5131 -.4892 .2389 -.8020 .5171 -.0325 .1299 56 LYS 56 -.4232 .2033 999.9900 -.4035 .2547 -.1545 -3.1265 -.1476 -1.3888 -.5781 57 ARG 57 -1.4842 1.0644 999.9900 .9503 .7064 .4374 -.2665 .2239 .0196 .3064 58 GLY 58 -2.6716 999.9900 999.9900 999.9900 .0351 -1.3182 .4384 .6878 .5769 -.3776 59 GLU 59 -1.0162 -.2670 999.9900 -1.0323 -.6780 -.7484 .2644 .5750 .4456 -.3590 60 LYS 60 -.2075 .9683 999.9900 .1731 .7669 .3747 .5625 .4891 .5197 .4179 61 VAL 61 .0429 999.9900 .4980 999.9900 .8960 .4790 .4954 .6668 .5954 .5198 62 PHE 62 -.1316 .8396 999.9900 999.9900 -1.5955 -.2958 .3159 .5129 .4308 -.0118 63 LEU 63 -.7094 .9108 999.9900 999.9900 -1.5756 -.4581 -.7678 .1738 -.2186 -.3936 64 THR 64 -4.2065 999.9900 -.8810 999.9900 -.2561 -1.7812 -.4708 .1699 -.0971 -1.1289 65 VAL 65 -1.1433 999.9900 -1.0788 999.9900 -1.8525 -1.3582 -.6263 .0756 -.2169 -.9251 66 GLY 66 -1.5840 999.9900 999.9900 999.9900 .0351 -.7744 -1.6016 .1429 -.6324 -.7519 67 TRP 67 .4280 .5502 999.9900 999.9900 -1.6678 -.2298 .2279 .6265 .4604 .0330 68 GLU 68 .3258 -.7564 999.9900 -1.0323 -.3984 -.4653 .0820 -1.5016 -.8418 -.5468 69 ASN 69 1.3908 .9489 999.9900 999.9900 .8079 1.0492 -.4770 .5825 .1411 .6506 70 PHE 70 1.2230 -.0015 999.9900 999.9900 -.0962 .3751 .4654 .4571 .4605 .4095 71 VAL 71 1.0462 999.9900 -1.0788 999.9900 .8960 .2878 -.4307 .5860 .1624 .2038 72 LYS 72 .8536 -.7632 999.9900 .9771 .6805 .5450 -.1071 .1041 .0161 .3889 73 ASP 73 .2706 -.0430 999.9900 999.9900 .8104 .3460 .0388 .1025 .0759 .2359 74 ASN 74 -.1320 .1037 999.9900 999.9900 .3587 .1101 .4551 .4212 .4353 .2413 75 ASN 75 -2.8943 -1.0148 999.9900 999.9900 .1585 -1.2502 .5456 .3338 .4220 -.5743 76 LEU 76 -.3571 .8730 999.9900 999.9900 -1.0998 -.1947 .3000 .6275 .4911 .0687 77 GLU 77 -1.1499 -1.1891 999.9900 -1.0323 -.6780 -1.0123 .3654 -.1950 .0385 -.6465 78 ASP 78 -.5899 -1.1062 999.9900 999.9900 .0375 -.5529 -.1215 .4732 .2254 -.2614 79 GLY 79 -.2271 999.9900 999.9900 999.9900 .6890 .2310 .1598 .7031 .4616 .3312 80 LYS 80 -.4999 .5574 999.9900 -.0770 .5850 .0977 -.1710 .6128 .2862 .1329 81 TYR 81 .6244 .8258 999.9900 999.9900 .6556 .7019 -1.3511 .6017 -.2120 .2713 82 LEU 82 .0291 .8730 999.9900 999.9900 -1.2350 -.1110 -.3119 .5857 .2117 -.0118 83 GLN 83 -.1803 -.0698 999.9900 1.3059 .6605 .4291 -1.8314 -.0101 -.7690 -.0209 84 PHE 84 -.2255 .5589 999.9900 999.9900 .2172 .1836 -1.1595 .5455 -.1649 -.0127 85 ILE 85 -.2299 .2838 999.9900 999.9900 -2.1444 -.6968 -1.7397 .2888 -.5564 -.7083 86 TYR 86 .0686 -.0773 999.9900 999.9900 .8158 .2690 .1950 .1349 .1599 .2274 87 ASP 87 -.2770 -1.2611 999.9900 999.9900 .5431 -.3316 .1803 .5035 .3688 -.0622 88 ARG 88 -1.6049 .4564 999.9900 .1593 .6728 -.0314 .5123 -.3373 .0167 .0026 89 ASP 89 -2.3854 -.7325 999.9900 999.9900 .5431 -.8582 -.8214 -.7039 -.7529 -.8200 90 ARG 90 -1.7561 1.0644 999.9900 .1593 .6728 .0599 .5063 .5617 .5386 .1954 91 THR 91 .1314 999.9900 -.8810 999.9900 .3342 -.1385 .0854 .5776 .3725 .0495 92 PHE 92 -.0017 .1608 999.9900 999.9900 -.9498 -.2635 -.0898 .2365 .1005 -.1288 93 TYR 93 -.0287 -1.3952 999.9900 999.9900 -.4027 -.6088 -.2191 .5168 .2101 -.3058 94 VAL 94 .3116 999.9900 .2799 999.9900 .5258 .3724 .1071 .6632 .4315 .3775 95 ILE 95 .5210 .2838 999.9900 999.9900 .7362 .5136 .1582 .6273 .4319 .4653 96 ILE 96 -.1408 -3.0500 999.9900 999.9900 -.2211 -1.1373 -.2368 .4575 .1682 -.6382 97 TYR 97 -.6832 .4149 999.9900 999.9900 -.0463 -.1049 .4565 .1025 .2500 .0489 98 GLY 98 -3.4864 999.9900 999.9900 999.9900 .0656 -1.7104 .4932 .3252 .3998 -.6506 99 HIS 99 1.4298 -.1773 999.9900 999.9900 .9611 .7378 .3459 .0978 .2012 .5314 100 ASN 100 .4391 .3778 999.9900 999.9900 .1585 .3251 .0674 .0299 .0455 .2145 101 MET 101 -.9371 .4901 999.9900 1.7963 -.3043 .2613 -.1869 .5528 .2446 .2351 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .1090 .2490 .1890 .1625 Means: -.4187 -.2624 -.1047 .2293 .0602 -.1431 -.1147 .3744 .1697 -.0374 2.00 refined_14