1 MET 1 999.9900 .5321 999.9900 .9587 .5203 .6704 .5952 .4247 .5022 .6062 2 ALA 2 -.3169 999.9900 999.9900 999.9900 .5367 .1099 .2190 .6978 .4983 .2841 3 ASP 3 -.3633 -.2599 999.9900 999.9900 .9215 .0994 .1349 .6655 .4444 .2197 4 THR 4 -4.2065 999.9900 -.2947 999.9900 .9813 -1.1733 -.6475 .3383 -.0725 -.7658 5 GLY 5 -1.4779 999.9900 999.9900 999.9900 .8277 -.3251 -2.6418 .5305 -.8794 -.6904 6 GLU 6 -.6163 -.9977 999.9900 -1.0323 .6424 -.5010 .1099 .5226 .3506 -.2286 7 VAL 7 -.0582 999.9900 -.5532 999.9900 .8778 .0888 -.0712 .5727 .3044 .1536 8 GLN 8 -.3746 -.4838 999.9900 1.3059 .7486 .2990 -.3110 .5788 .2080 .2440 9 PHE 9 .1414 .8308 999.9900 999.9900 .5495 .5072 .4550 .4467 .4501 .4847 10 MET 10 -.3503 .8879 999.9900 .9587 .4206 .4792 .1115 .4343 .2998 .4105 11 LYS 11 -.6145 .3574 999.9900 -.4035 -.5755 -.3279 .4297 .2985 .3532 -.1302 12 PRO 12 .6201 999.9900 999.9900 999.9900 .2989 .4595 -.5189 .5518 .1057 .2380 13 PHE 13 -.2560 .7639 999.9900 999.9900 -.0962 .1372 .2620 .3434 .3095 .2034 14 ILE 14 -.8315 -.0177 999.9900 999.9900 -1.4322 -.7605 -.1411 .0816 -.0112 -.4682 15 SER 15 .9506 999.9900 .6576 999.9900 .3749 .6610 .4167 .6611 .5593 .6122 16 GLU 16 1.0761 .6046 999.9900 -1.0323 -.6780 -.0074 .5574 .5764 .5685 .1840 17 LYS 17 -.4760 -.2178 999.9900 -.4035 -.6710 -.4344 -.4156 .4227 .0734 -.3092 18 SER 18 -.3100 999.9900 -.7153 999.9900 -1.9795 -1.0016 -.5975 .2997 -.0741 -.6605 19 SER 19 1.0911 999.9900 .8786 999.9900 -.3096 .5534 .5071 .3145 .3948 .4964 20 LYS 20 -2.1934 .8340 999.9900 .4996 -.6710 -.2062 .5284 .5301 .5294 .0039 21 SER 21 .2423 999.9900 -.7153 999.9900 -.4586 -.3106 .4455 .4598 .4539 -.0053 22 LEU 22 -.1596 .5655 999.9900 999.9900 -.7775 -.1239 -1.1952 -.2340 -.6345 -.3602 23 GLU 23 -.6642 -.0552 999.9900 -1.0323 .7127 -.2598 -.6107 .4687 .0190 -.1968 24 ILE 24 -.1408 -.0414 999.9900 999.9900 .4912 .1030 -.0743 .4991 .2602 .1468 25 PRO 25 .4049 999.9900 999.9900 999.9900 -.8366 -.2159 .4991 .4913 .4945 .1397 26 LEU 26 .8786 -1.2835 999.9900 999.9900 .6258 .0736 .1163 .2477 .1929 .1170 27 GLY 27 .7440 999.9900 999.9900 999.9900 .6270 .6855 .5481 .6614 .6110 .6451 28 PHE 28 -.5116 .3244 999.9900 999.9900 .0736 -.0379 .5165 .5107 .5131 .1827 29 ASN 29 1.1272 1.0524 999.9900 999.9900 -.0996 .6934 .1133 .2819 .2117 .4951 30 GLU 30 .0468 .7809 999.9900 -1.0323 -1.0906 -.3238 .4509 .4146 .4297 -.0716 31 TYR 31 .6431 .7834 999.9900 999.9900 -.1498 .4255 .4378 .3671 .3966 .4163 32 PHE 32 -1.1424 -.1460 999.9900 999.9900 -1.5955 -.9613 -.0045 -.8229 -.4819 -.7423 33 PRO 33 .3725 999.9900 999.9900 999.9900 .0500 .2112 -1.5494 -.2179 -.7727 -.3362 34 ALA 34 -.4433 999.9900 999.9900 999.9900 -3.1661 -1.8047 .2794 .0772 .1615 -.8132 35 PRO 35 .1514 999.9900 999.9900 999.9900 -2.3298 -1.0892 .4899 .0153 .2130 -.4183 36 PHE 36 -1.0508 -.7421 999.9900 999.9900 .2172 -.5252 -.2818 .3867 .1081 -.2942 37 PRO 37 -2.4417 999.9900 999.9900 999.9900 -.5244 -1.4831 -.7370 .4551 -.0416 -.8120 38 ILE 38 -1.8492 -.0177 999.9900 999.9900 .4509 -.4720 .3427 .5778 .4798 -.0991 39 THR 39 .1260 999.9900 .2916 999.9900 -.4170 .0002 .1658 .6441 .4448 .1621 40 VAL 40 -.3161 999.9900 -1.0788 999.9900 -2.2406 -1.2118 -.3432 -.2859 -.3097 -.8529 41 ASP 41 -.4836 -.4551 999.9900 999.9900 .6026 -.1120 .5854 .4100 .4831 .1319 42 LEU 42 .1006 .8730 999.9900 999.9900 .6708 .5481 .3452 .5836 .4842 .5146 43 LEU 43 -.1196 -1.8410 999.9900 999.9900 -1.0998 -1.0201 .3062 .4177 .3712 -.4673 44 ASP 44 -.8144 -1.3328 999.9900 999.9900 -.7687 -.9720 -.2256 .0094 -.0885 -.6264 45 TYR 45 -.2520 .4149 999.9900 999.9900 .6984 .2871 .5573 .4344 .4856 .3706 46 SER 46 -.7578 999.9900 -.7153 999.9900 .7982 -.2250 .5294 .4911 .5071 .0691 47 GLY 47 -2.9723 999.9900 999.9900 999.9900 -.3938 -1.6830 .5266 .3844 .4476 -.6138 48 ARG 48 -.6502 .8949 999.9900 .1593 .3956 .1918 -.2675 -.0858 -.1615 .0865 49 SER 49 .2423 999.9900 -.7153 999.9900 -.9994 -.4908 .4421 .5633 .5128 -.0934 50 TRP 50 -1.0458 -1.4740 999.9900 999.9900 -.1614 -.8938 -.2991 .5770 .2120 -.4807 51 THR 51 -.5830 999.9900 .9776 999.9900 -2.7258 -.7771 -.7364 .3412 -.1078 -.5453 52 VAL 52 -.8595 999.9900 -1.0788 999.9900 .6503 -.4293 -.4606 .4194 .0527 -.2658 53 ARG 53 -.3624 1.1781 999.9900 .6901 -.3418 .3708 .1405 .5730 .3928 .3668 54 MET 54 -.2651 .5321 999.9900 .9587 .4206 .4116 -.5516 .6387 .1427 .2889 55 LYS 55 -.1919 -.2178 999.9900 .7184 -2.0338 -.2013 -.6517 .5164 .0297 -.1631 56 LYS 56 -.3543 .3679 999.9900 -.0397 .1791 .0226 -2.6455 -.0217 -1.1149 -.3649 57 ARG 57 -1.7561 -2.8571 999.9900 .1593 .4837 -.7622 .0521 .4364 .2763 -.4746 58 GLY 58 -2.6716 999.9900 999.9900 999.9900 -.7584 -1.7150 .3043 .3694 .3405 -.6891 59 GLU 59 -.5648 -.3402 999.9900 -1.0323 -1.2865 -.8059 .5682 .3008 .4122 -.3925 60 LYS 60 -.3223 .7597 999.9900 1.4618 .2547 .7231 .2552 .0029 .1080 .5534 61 VAL 61 .3372 999.9900 .8055 999.9900 .6959 .6129 -.6041 .5104 .0460 .3490 62 PHE 62 .0900 .8396 999.9900 999.9900 -2.2412 -.4372 -.8541 .1711 -.2561 -.3989 63 LEU 63 -.8349 -1.4996 999.9900 999.9900 -3.2047 -1.8464 -.4623 -.8990 -.7171 -1.3801 64 THR 64 -4.2065 999.9900 -.8810 999.9900 -1.0006 -2.0294 -.2671 -.1463 -.1966 -1.3003 65 VAL 65 -1.1433 999.9900 -.2457 999.9900 -2.9040 -1.4310 -1.7788 .3583 -.5322 -1.1427 66 GLY 66 -2.0431 999.9900 999.9900 999.9900 -.8367 -1.4399 -1.9011 .0117 -.8384 -1.1923 67 TRP 67 .4280 .6993 999.9900 999.9900 .2792 .4689 .4441 .6092 .5404 .4920 68 GLU 68 .8733 .6046 999.9900 -1.0323 -.3984 .0118 .5500 .6066 .5830 .2006 69 ASN 69 .9642 1.0524 999.9900 999.9900 -.2632 .5845 -.1034 .4821 .2382 .4264 70 PHE 70 .6259 -.6308 999.9900 999.9900 -1.2178 -.4076 .4423 .6042 .5367 -.0352 71 VAL 71 1.0462 999.9900 -1.0788 999.9900 .6959 .2211 -.3002 .4455 .1348 .1617 72 LYS 72 .8536 -2.9005 999.9900 1.2672 -.6710 -.0367 .0233 .0015 .0106 -.0227 73 ASP 73 .9921 -.8657 999.9900 999.9900 .4469 .1911 -.1146 .4285 .2022 .1774 74 ASN 74 -.6931 .1235 999.9900 999.9900 .5588 -.0036 .3528 .3457 .3487 .1376 75 ASN 75 -3.4329 -.3237 999.9900 999.9900 .3587 -1.1326 .1956 .3949 .3118 -.5615 76 LEU 76 -.8188 -3.3760 999.9900 999.9900 .5787 -1.2054 -.0688 .2919 .1416 -.6786 77 GLU 77 -1.2742 -1.0866 999.9900 -1.0323 .2101 -.7958 .1871 .3518 .2831 -.4407 78 ASP 78 -.5899 -1.1062 999.9900 999.9900 -.1266 -.6076 .4620 .3344 .3876 -.2053 79 GLY 79 -.2363 999.9900 999.9900 999.9900 -.0291 -.1327 .3590 .6618 .5272 .1888 80 LYS 80 -.7762 1.1776 999.9900 1.1899 -.3378 .4887 .3785 .4479 .4190 .4671 81 TYR 81 .5504 .5297 999.9900 999.9900 .7784 .6195 -1.2723 .5227 -.2252 .2218 82 LEU 82 -.3075 -1.9980 999.9900 999.9900 .4227 -.6276 -1.0573 .5075 -.1445 -.4865 83 GLN 83 -.1966 1.1250 999.9900 1.3059 .6605 .7237 -1.5040 .1954 -.5127 .2644 84 PHE 84 -.2255 .1033 999.9900 999.9900 .3416 .0731 -.9403 .6203 -.0300 -.0201 85 ILE 85 -.0022 .6227 999.9900 999.9900 .4509 .3571 -.7072 .5202 .0088 .1769 86 TYR 86 -.0287 -.2699 999.9900 999.9900 .6556 .1190 -.1410 .0508 -.0291 .0534 87 ASP 87 -.9297 -.3515 999.9900 999.9900 -2.9873 -1.4228 .3685 .2530 .3011 -.7294 88 ARG 88 -1.4842 .1897 999.9900 .6901 -.5739 -.0977 .2473 .1678 .2009 -.0105 89 ASP 89 -.7312 -1.1062 999.9900 999.9900 .6587 -.3929 -3.2399 .3842 -1.1258 -.8069 90 ARG 90 -2.9267 .8164 999.9900 1.0856 .8581 .1838 -.2164 -1.0622 -.7098 -.0514 91 THR 91 .3447 999.9900 .6346 999.9900 .9813 .6535 .1698 .3284 .2623 .4918 92 PHE 92 .0766 .1357 999.9900 999.9900 -1.2178 -.3352 -.1236 .5291 .2571 -.1200 93 TYR 93 .0686 .2322 999.9900 999.9900 -1.0119 -.2370 .1902 .3613 .2900 -.0319 94 VAL 94 .4077 999.9900 .1416 999.9900 -1.0415 -.1641 .3498 .6481 .5238 .1011 95 ILE 95 .3543 .2838 999.9900 999.9900 .2216 .2866 -.1443 .4187 .1841 .2268 96 ILE 96 .2593 -1.0451 999.9900 999.9900 -.8571 -.5477 .2885 .6403 .4937 -.1428 97 TYR 97 -.6832 .8492 999.9900 999.9900 -.1498 .0054 -.2964 .5495 .1971 .0539 98 GLY 98 -2.9723 999.9900 999.9900 999.9900 .8277 -1.0723 -.6927 .6234 .0385 -.5535 99 HIS 99 -.7145 -.2312 999.9900 999.9900 .4328 -.1710 -.0252 .4141 .2311 -.0248 100 ASN 100 -.1320 -1.4522 999.9900 999.9900 .9106 -.2246 .3138 .6600 .5158 .0600 101 MET 101 -1.5488 .5321 999.9900 .9587 .6113 .1383 .2725 .5233 .4188 .2249 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .3324 .5167 .4377 .3263 Means: -.4789 -.1126 -.1871 .3428 -.2277 -.2099 -.1293 .3503 .1496 -.0871 2.00 refined_1