1 MET 1 999.9900 .5321 999.9900 .9587 .5203 .6704 .3879 .6353 .5228 .6068 2 ALA 2 -1.9568 999.9900 999.9900 999.9900 .0520 -.9524 .3046 .5046 .4212 -.2739 3 ASP 3 -3.3417 -.3515 999.9900 999.9900 -.2530 -1.3154 -.0219 .4209 .2364 -.7094 4 THR 4 .0584 999.9900 .8779 999.9900 .5164 .4843 .3432 .3292 .3350 .4250 5 GLY 5 -.0783 999.9900 999.9900 999.9900 -.3938 -.2360 -.1592 .5794 .2512 -.0130 6 GLU 6 -.9070 -.9977 999.9900 -1.0323 -1.5390 -1.1190 -1.2718 .2614 -.3774 -.9144 7 VAL 7 -.6656 999.9900 -.5532 999.9900 -.0858 -.4348 -.9135 .4623 -.1109 -.3511 8 GLN 8 -.4424 -.2368 999.9900 1.3059 .7898 .3541 -1.2669 .5134 -.2284 .1105 9 PHE 9 -.1228 -.4925 999.9900 999.9900 .8956 .0934 -1.1271 .5665 -.1392 -.0561 10 MET 10 -.1559 -.2135 999.9900 1.7963 -.3043 .2807 -.6037 .5673 .0794 .1811 11 LYS 11 -.6145 -1.8181 999.9900 -.4035 .0060 -.6467 -.8443 .0717 -.3099 -.5723 12 PRO 12 .3744 999.9900 999.9900 999.9900 .4021 .3882 -1.7436 .3320 -.5328 -.1588 13 PHE 13 .1032 -.4187 999.9900 999.9900 .7573 .1473 -.8918 .5470 -.0525 .0194 14 ILE 14 .1597 .6227 999.9900 999.9900 -1.4322 -.2166 .1920 .3442 .2808 -.0227 15 SER 15 .1386 999.9900 -.7153 999.9900 -.1819 -.2529 .2728 .4820 .3949 -.0008 16 GLU 16 1.0761 .6046 999.9900 -1.0323 .7127 .3403 .5725 .1840 .3459 .3529 17 LYS 17 -2.0221 -.2178 999.9900 .4411 -1.2036 -.5122 .4800 .5758 .5359 -.2151 18 SER 18 .1386 999.9900 -.0289 999.9900 -.0193 .0302 .5217 .4034 .4527 .2031 19 SER 19 .6980 999.9900 -.0289 999.9900 .2374 .3022 .4582 .5491 .5112 .3827 20 LYS 20 -2.7709 .8596 999.9900 .3240 .5850 -.1356 .5219 .5656 .5474 .0585 21 SER 21 -.2454 999.9900 -.0289 999.9900 .3425 .0227 .2838 .5636 .4470 .1831 22 LEU 22 -.3112 .5563 999.9900 999.9900 .4504 .2319 .2955 .5232 .4283 .3028 23 GLU 23 -.4325 -.7564 999.9900 -1.0323 1.0761 -.2863 -.3849 .1453 -.0756 -.2308 24 ILE 24 -.1621 -.0177 999.9900 999.9900 .6382 .1528 .4409 .5996 .5335 .2998 25 PRO 25 .4197 999.9900 999.9900 999.9900 .4496 .4347 .2937 .5604 .4493 .4309 26 LEU 26 .2140 -1.4996 999.9900 999.9900 -.6084 -.6313 .6149 .3006 .4316 -.1957 27 GLY 27 .5723 999.9900 999.9900 999.9900 .8277 .7000 .6623 .6298 .6443 .6730 28 PHE 28 .1779 .7639 999.9900 999.9900 .1482 .3633 .6094 .5776 .5909 .4554 29 ASN 29 .6639 -1.4522 999.9900 999.9900 .4840 -.1014 .4580 .6051 .5438 .1518 30 GLU 30 .3258 -.3559 999.9900 .3501 .3568 .1692 -.4711 .5367 .1168 .1237 31 TYR 31 -.4658 .8258 999.9900 999.9900 -.5629 -.0676 .4388 .5975 .5314 .1667 32 PHE 32 .0966 .0348 999.9900 999.9900 .0736 .0683 .2838 -.1180 .0494 .0741 33 PRO 33 .6201 999.9900 999.9900 999.9900 .7618 .6910 .4055 -.0564 .1360 .4327 34 ALA 34 .7636 999.9900 999.9900 999.9900 -.1129 .3254 -.2712 -.1606 -.2067 .0547 35 PRO 35 -2.2417 999.9900 999.9900 999.9900 .7944 -.7237 .3015 .6564 .5085 -.1224 36 PHE 36 -.8947 .8396 999.9900 999.9900 .0736 .0062 .2650 .4932 .3981 .1553 37 PRO 37 -.7236 999.9900 999.9900 999.9900 .4496 -.1370 .0254 .6009 .3611 .0881 38 ILE 38 -4.2337 -.0177 999.9900 999.9900 .5300 -1.2405 .0944 .3790 .2604 -.6496 39 THR 39 .0347 999.9900 -.8810 999.9900 -.1848 -.3437 .0803 .5234 .3388 -.0855 40 VAL 40 -.3161 999.9900 .7395 999.9900 .7394 .3876 -.3517 -.2255 -.2781 .1171 41 ASP 41 -.5526 -1.2276 999.9900 999.9900 .7866 -.3312 .1427 .4453 .3193 -.0811 42 LEU 42 -.1655 .8730 999.9900 999.9900 .4504 .3860 .0229 .6150 .3683 .3592 43 LEU 43 -.8032 .8730 999.9900 999.9900 -.0758 -.0020 -.5310 .5786 .1163 .0083 44 ASP 44 -1.1212 -.7152 999.9900 999.9900 -.4783 -.7715 .4809 .1717 .3005 -.3324 45 TYR 45 -3.6999 -.3906 999.9900 999.9900 -.1498 -1.4134 .5018 -.1310 .1327 -.7739 46 SER 46 -.4229 999.9900 -.7153 999.9900 -.9994 -.7126 .2442 .5196 .4048 -.2748 47 GLY 47 -2.6716 999.9900 999.9900 999.9900 -.7584 -1.7150 .5118 .5987 .5601 -.5799 48 ARG 48 -.5855 .0043 999.9900 .5548 .8581 .2773 .3977 .6663 .5544 .3501 49 SER 49 -.0741 999.9900 -.7153 999.9900 .3088 -.1602 .2254 .4899 .3797 .0469 50 TRP 50 -.1951 -.8273 999.9900 999.9900 -.9146 -.6456 -.5515 .4123 .0107 -.4152 51 THR 51 -.3093 999.9900 1.1473 999.9900 -.2561 .1939 -.2833 .4626 .1518 .1522 52 VAL 52 -.5494 999.9900 -.2457 999.9900 -.3121 -.3691 -.2046 .6945 .3198 -.1235 53 ARG 53 -.4155 1.0858 999.9900 .1593 -1.7309 -.1484 -.6820 .2867 -.1169 -.1625 54 MET 54 -.2651 .8373 999.9900 .9587 .3104 .4603 .2021 .5985 .4333 .4403 55 LYS 55 -.3099 1.1488 999.9900 1.5344 -1.4057 .5004 .0425 .6692 .4081 .4591 56 LYS 56 -1.0587 1.1488 999.9900 .9398 .0525 .4045 -2.8359 .2180 -1.0545 -.0851 57 ARG 57 -1.4318 -.5225 999.9900 1.6274 .5640 .3729 -.6627 .6293 .0910 .2616 58 GLY 58 -1.5840 999.9900 999.9900 999.9900 -.9224 -1.2532 -.7276 .6844 .0569 -.6374 59 GLU 59 -.4382 .4305 999.9900 -1.0323 .5390 -.1252 .3302 .6697 .5282 .0831 60 LYS 60 -.2345 .8596 999.9900 .9312 .6340 .6243 .3461 .6027 .4958 .5815 61 VAL 61 -.6656 999.9900 .3968 999.9900 .5258 .0857 .3021 .6018 .4769 .2322 62 PHE 62 -.0017 .1972 999.9900 999.9900 -.0075 .0627 .0163 .5856 .3484 .1580 63 LEU 63 -.5127 -1.4036 999.9900 999.9900 -3.2047 -1.7070 .0903 -.3509 -.1671 -1.0763 64 THR 64 -4.2065 999.9900 .0483 999.9900 -.2561 -1.4715 .1076 .1595 .1378 -.8295 65 VAL 65 -.6396 999.9900 -1.0788 999.9900 -.6089 -.7758 .5472 .4078 .4659 -.2745 66 GLY 66 -.5849 999.9900 999.9900 999.9900 -.3938 -.4894 .1367 .1381 .1375 -.1760 67 TRP 67 .9492 .5502 999.9900 999.9900 -.9146 .1950 -.4528 .2538 -.0406 .0772 68 GLU 68 .6833 .8225 999.9900 -1.0323 -1.0906 -.1543 .0134 .3624 .2170 -.0402 69 ASN 69 .9310 1.0524 999.9900 999.9900 .4840 .8225 .4099 .6220 .5336 .6999 70 PHE 70 .6259 -.4306 999.9900 999.9900 .7573 .3175 .5807 .5183 .5443 .4103 71 VAL 71 1.0462 999.9900 -1.0788 999.9900 .5776 .1817 -.1267 .5786 .2847 .1994 72 LYS 72 .6780 .0632 999.9900 .9587 -1.0384 .3240 .5608 .4498 .4961 .3758 73 ASP 73 .2706 -1.7105 999.9900 999.9900 .5121 -.3093 .5634 .2590 .3858 -.0211 74 ASN 74 .3429 1.2520 999.9900 999.9900 .5940 .7297 .5645 .4940 .5234 .6495 75 ASN 75 -2.8943 -1.0148 999.9900 999.9900 -.5831 -1.4974 -.3604 .1539 -.0604 -.9398 76 LEU 76 -2.2364 -1.1113 999.9900 999.9900 .4774 -.9568 -1.8868 -.6822 -1.1841 -1.0879 77 GLU 77 -.9196 .7809 999.9900 -1.0323 .5112 -.1650 .3308 .3939 .3676 .0108 78 ASP 78 -.9954 -.8657 999.9900 999.9900 -.3226 -.7279 .0211 .5712 .3420 -.3183 79 GLY 79 -1.9441 999.9900 999.9900 999.9900 -1.1231 -1.5336 .1196 .5221 .3432 -.6064 80 LYS 80 -.5681 .0031 999.9900 .6133 -.1497 .1024 .4659 .3577 .4028 .1908 81 TYR 81 .1219 .8258 999.9900 999.9900 .3421 .4299 .5735 .6231 .6024 .4973 82 LEU 82 -.4552 .8730 999.9900 999.9900 -.8739 -.1521 .2262 .3478 .2971 .0236 83 GLN 83 -.2750 .6267 999.9900 1.3059 .7898 .6118 .0985 .3447 .2421 .4817 84 PHE 84 -.0168 .5510 999.9900 999.9900 .5949 .3764 -.1854 .6403 .2962 .3168 85 ILE 85 .4877 .6227 999.9900 999.9900 .6034 .5713 .4123 .6257 .5368 .5504 86 TYR 86 .0500 .7834 999.9900 999.9900 -.1498 .2279 .2345 .6192 .4589 .3074 87 ASP 87 -.7471 -1.0518 999.9900 999.9900 .0868 -.5707 .6137 .5138 .5554 -.1169 88 ARG 88 -2.9267 -2.3766 999.9900 .1593 .6728 -.8624 -.0761 -.6996 -.4398 -.7268 89 ASP 89 -.9954 -.7325 999.9900 999.9900 .5431 -.3949 -1.3164 .4115 -.3084 -.4179 90 ARG 90 -.5383 -2.8571 999.9900 .7862 .1299 -.3386 -.2828 .2743 .0422 -.2431 91 THR 91 .3363 999.9900 .7650 999.9900 .4826 .5280 -.1650 .5831 .2714 .4004 92 PHE 92 .1032 .5510 999.9900 999.9900 .3416 .3319 -.2046 .5762 .2508 .2735 93 TYR 93 .0868 .7834 999.9900 999.9900 .7784 .5495 -.6581 .4162 -.0314 .2813 94 VAL 94 -.5494 999.9900 -.5532 999.9900 -.1376 -.4134 -1.6508 .4887 -.4028 -.4805 95 ILE 95 -.1366 -1.0451 999.9900 999.9900 .7362 -.1485 -.9441 .4431 -.1349 -.1893 96 ILE 96 -.3251 -.0414 999.9900 999.9900 .1133 -.0844 .1665 .4282 .3192 .0683 97 TYR 97 -.1387 .3463 999.9900 999.9900 -1.3683 -.3869 -.3361 .0742 -.0967 -.2845 98 GLY 98 -2.6716 999.9900 999.9900 999.9900 .0656 -1.3030 -1.1162 -.0507 -.5242 -.9432 99 HIS 99 -3.0884 -2.4183 999.9900 999.9900 .3381 -1.7229 .5096 .4246 .4600 -.8469 100 ASN 100 -2.1824 .1037 999.9900 999.9900 .8079 -.4236 .0670 .6026 .3794 -.1202 101 MET 101 -1.1708 -1.5870 999.9900 .9587 .5203 -.3197 -.3916 .4548 .1021 -.2026 102 CYS 102 999.9900 999.9900 1.2918 999.9900 999.9900 1.2918 -.0586 .2965 .1443 .5099 Means: -.5903 -.1085 -.0714 .4793 .0342 -.1394 -.0608 .4047 .2099 -.0199 2.00 refined_2