1 MET 1 999.9900 -2.5481 999.9900 .9587 .5203 -.3564 .6759 .4958 .5777 .0205 2 ALA 2 -.7637 999.9900 999.9900 999.9900 .7458 -.0090 .6689 .3102 .4597 .2403 3 ASP 3 -3.3417 -.4801 999.9900 999.9900 .8104 -1.0038 .6762 .3854 .5066 -.3900 4 THR 4 -4.2065 999.9900 -.8810 999.9900 .4476 -1.5467 .6561 -.2526 .1260 -.8473 5 GLY 5 -.7885 999.9900 999.9900 999.9900 .7883 -.0001 .5779 .4653 .5154 .2608 6 GLU 6 -2.0601 -.8493 999.9900 -1.0323 .6899 -.8130 .6772 .5187 .5847 -.3427 7 VAL 7 -.3161 999.9900 -.0276 999.9900 .7810 .1458 .6671 .1219 .3490 .2453 8 GLN 8 -1.1984 -.5630 999.9900 1.3059 .5113 .0140 .6722 .5248 .5862 .2088 9 PHE 9 .1414 -.8310 999.9900 999.9900 .7573 .0226 .6780 .0994 .3405 .1690 10 MET 10 -.0824 -2.5481 999.9900 .9587 .5203 -.2879 .6765 .5166 .5832 .0069 11 LYS 11 -.6340 -2.9005 999.9900 -.4035 .7460 -.7191 .5086 .1584 .3043 -.4184 12 PRO 12 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5612 -.3624 .0224 .1651 13 PHE 13 .0900 -.4187 999.9900 999.9900 .7573 .1429 .6787 .1058 .3445 .2426 14 ILE 14 .2768 -1.4972 999.9900 999.9900 .6034 -.2057 .6566 .0427 .2985 .0164 15 SER 15 .6370 999.9900 -.7153 999.9900 .6705 .1974 .6776 .5346 .5942 .3609 16 GLU 16 .8733 -1.4588 999.9900 -1.0323 .6899 -.2320 .6699 .5170 .5807 .0432 17 LYS 17 -2.0221 -1.8181 999.9900 1.1899 .7460 -.1429 .6765 .1660 .3787 .0183 18 SER 18 .1386 999.9900 -.7153 999.9900 .6705 .0313 .6689 .5329 .5896 .2591 19 SER 19 .5661 999.9900 -.7153 999.9900 .6705 .1737 .6753 .5291 .5900 .3451 20 LYS 20 -3.5196 -1.1755 999.9900 -.4035 .7460 -.9512 .6684 .1477 .3646 -.5629 21 SER 21 -.6561 999.9900 -.7153 999.9900 .6705 -.2336 .6777 .5315 .5924 .1017 22 LEU 22 .0762 -2.5464 999.9900 999.9900 .9565 -.5045 .6775 .1586 .3748 -.1355 23 GLU 23 -.5863 -1.1891 999.9900 -1.0323 .6899 -.5295 .6720 .5261 .5869 -.1533 24 ILE 24 .0813 .6227 999.9900 999.9900 .6034 .4358 .4770 .0441 .2244 .3657 25 PRO 25 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5439 -.3614 .0158 .2630 26 LEU 26 -.1625 -2.9612 999.9900 999.9900 .9565 -.7224 .6782 .1608 .3764 -.2656 27 GLY 27 .9829 999.9900 999.9900 999.9900 .7883 .8856 .5787 .4738 .5205 .7059 28 PHE 28 .0766 -3.6820 999.9900 999.9900 .7573 -.9494 .6772 .1164 .3501 -.4109 29 ASN 29 1.3908 -1.5725 999.9900 999.9900 .7518 .1901 .6726 .3778 .5006 .3241 30 GLU 30 -.2702 -.8834 999.9900 -1.0323 .6899 -.3740 .6754 .5107 .5793 -.0517 31 TYR 31 -.4486 -4.1972 999.9900 999.9900 .5630 -1.3609 .6748 -.1862 .1726 -.7188 32 PHE 32 -1.6817 -1.4910 999.9900 999.9900 .7573 -.8051 .4885 .1112 .2684 -.3631 33 PRO 33 -5.1268 999.9900 999.9900 999.9900 .4496 -2.3386 .5522 -.3811 .0078 -1.1265 34 ALA 34 -1.8806 999.9900 999.9900 999.9900 .7458 -.5674 .4751 .3140 .3811 -.0864 35 PRO 35 -4.5055 999.9900 999.9900 999.9900 .4496 -2.0279 .5348 -.3686 .0078 -.9724 36 PHE 36 -1.3242 -4.3038 999.9900 999.9900 .7573 -1.6236 .4815 .1009 .2595 -.8577 37 PRO 37 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5432 -.3469 .0239 .2664 38 ILE 38 -2.9731 -.0177 999.9900 999.9900 .6034 -.7958 .6640 .0486 .3050 -.3350 39 THR 39 .1260 999.9900 -.8810 999.9900 .4476 -.1025 .6570 -.2419 .1326 .0215 40 VAL 40 -.0523 999.9900 .6672 999.9900 .7810 .4653 .6539 .1369 .3523 .4374 41 ASP 41 -.9091 -.0958 999.9900 999.9900 .8104 -.0648 .6840 .3921 .5137 .1763 42 LEU 42 .1006 -2.9612 999.9900 999.9900 .9565 -.6347 .6751 .1410 .3635 -.2176 43 LEU 43 -1.1256 -2.4128 999.9900 999.9900 .9565 -.8606 .6785 .1512 .3709 -.3505 44 ASP 44 -.5058 .1030 999.9900 999.9900 .8104 .1359 .6774 .3783 .5029 .2926 45 TYR 45 -2.0742 -4.1972 999.9900 999.9900 .5630 -1.9028 .6742 -.1738 .1795 -1.0416 46 SER 46 -1.7311 999.9900 -.0289 999.9900 .6705 -.3632 .6802 .5375 .5969 .0256 47 GLY 47 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5842 .4696 .5205 -.4111 48 ARG 48 -.4155 -2.8571 999.9900 .1593 .8581 -.4192 .6810 .5176 .5857 -.1282 49 SER 49 -.0741 999.9900 -.7153 999.9900 .6705 -.0397 .6800 .5375 .5969 .2197 50 TRP 50 -.0034 -3.3859 999.9900 999.9900 .9378 -.8172 .6684 .1716 .3786 -.3223 51 THR 51 -.2319 999.9900 -.8810 999.9900 .4476 -.2218 .6596 -.2778 .1128 -.0567 52 VAL 52 -.9687 999.9900 .2799 999.9900 .7810 .0308 .6583 .1334 .3521 .1768 53 ARG 53 -.0990 -2.8571 999.9900 1.3169 .8581 .1072 .6763 .5098 .5792 .2460 54 MET 54 -.3206 -.2378 999.9900 .9587 .5203 .2301 .6790 .5228 .5879 .3537 55 LYS 55 -.2345 .6283 999.9900 .1140 .7460 .2736 .6751 .1462 .3666 .3127 56 LYS 56 -.6747 -2.9005 999.9900 -.4035 .7460 -.7272 .6798 .1657 .3799 -.3987 57 ARG 57 -1.5415 -.9348 999.9900 .6901 .8581 -.0476 .6772 .5235 .5875 .1375 58 GLY 58 -1.9441 999.9900 999.9900 999.9900 .7883 -.5779 .5742 .4680 .5152 -.0284 59 GLU 59 -1.0162 -2.3808 999.9900 -1.0323 .6899 -.9349 .6742 .5135 .5804 -.4253 60 LYS 60 -.4529 -1.8181 999.9900 -.0770 .7460 -.3358 .6767 .1464 .3674 -.1223 61 VAL 61 .3116 999.9900 .4980 999.9900 .7810 .5302 .6569 .1202 .3438 .4736 62 PHE 62 -.1316 -2.8600 999.9900 999.9900 .7573 -.7448 .6721 .0908 .3330 -.2943 63 LEU 63 -.1836 -.9061 999.9900 999.9900 .9565 -.0444 .6745 .1542 .3710 .1391 64 THR 64 -4.2065 999.9900 -.2947 999.9900 .4476 -1.3512 .6584 -.2667 .1188 -.7324 65 VAL 65 -1.2071 999.9900 -1.0788 999.9900 .7810 -.5016 .6542 .1119 .3379 -.1477 66 GLY 66 -2.1575 999.9900 999.9900 999.9900 .7883 -.6846 .5726 .4716 .5165 -.0812 67 TRP 67 .2222 -3.3859 999.9900 999.9900 .9378 -.7419 .6743 .1985 .3968 -.2706 68 GLU 68 1.0761 -1.1358 999.9900 .3501 .6899 .2451 .6756 .5189 .5842 .3625 69 ASN 69 .1294 .9721 999.9900 999.9900 .7518 .6178 .6794 .3738 .5011 .5813 70 PHE 70 .8041 -4.3038 999.9900 999.9900 .7573 -.9141 .6742 .0873 .3318 -.3962 71 VAL 71 .9834 999.9900 -1.0788 999.9900 .7810 .2286 .6619 .1177 .3444 .2931 72 LYS 72 .3654 -1.2293 999.9900 .2495 .7460 .0762 .6723 .1558 .3710 .1727 73 ASP 73 1.3227 -1.7105 999.9900 999.9900 .8104 .1409 .6762 .3833 .5053 .2964 74 ASN 74 .3429 -.6268 999.9900 999.9900 .7518 .1560 .6787 .3826 .5060 .3059 75 ASN 75 -2.3558 -.1227 999.9900 999.9900 .7518 -.5755 .6751 .3771 .5013 -.1349 76 LEU 76 -2.2364 -1.9410 999.9900 999.9900 .9565 -1.0736 .6748 .1503 .3688 -.4792 77 GLU 77 -1.2742 .8034 999.9900 .3501 .6899 .1423 .6814 .5178 .5860 .2947 78 ASP 78 -1.5212 -1.1062 999.9900 999.9900 .8104 -.6056 .6772 .3808 .5043 -.1518 79 GLY 79 -2.0431 999.9900 999.9900 999.9900 .7883 -.6274 .5897 .4738 .5253 -.0478 80 LYS 80 -.7762 -.3710 999.9900 -.0397 .7460 -.0961 .6758 .1568 .3730 .0503 81 TYR 81 -.1271 -.3337 999.9900 999.9900 .5630 .0341 .6735 -.1809 .1751 .1190 82 LEU 82 -.4930 -2.9612 999.9900 999.9900 .9565 -.8326 .6779 .1529 .3717 -.3334 83 GLN 83 -1.7386 .0960 999.9900 1.3059 .5113 .0437 .6760 .5202 .5851 .2285 84 PHE 84 -.2255 -1.6164 999.9900 999.9900 .7573 -.3615 .6838 .1028 .3449 -.0596 85 ILE 85 -.2299 -.0177 999.9900 999.9900 .6034 .1186 .6571 .0327 .2929 .2091 86 TYR 86 .3730 -.5167 999.9900 999.9900 .5630 .1397 .6833 -.1911 .1732 .1823 87 ASP 87 -3.3417 -2.0001 999.9900 999.9900 .8104 -1.5105 .6768 .3766 .5017 -.6956 88 ARG 88 -2.9267 -1.8960 999.9900 1.3169 .8581 -.2662 .6809 .5129 .5829 -.0196 89 ASP 89 -2.5838 -2.1980 999.9900 999.9900 .8104 -1.3238 .6819 .3811 .5064 -.5817 90 ARG 90 -1.5415 -2.8571 999.9900 1.0856 .8581 -.2739 .6820 .5195 .5872 -.0240 91 THR 91 .5084 999.9900 .0483 999.9900 .4476 .3347 .6595 -.2569 .1250 .2814 92 PHE 92 .0900 -1.7109 999.9900 999.9900 .7573 -.2879 .6794 .0996 .3412 -.0169 93 TYR 93 .3730 .3615 999.9900 999.9900 .5630 .4325 .6768 -.1805 .1767 .3587 94 VAL 94 -.6656 999.9900 -.2457 999.9900 .7810 -.0434 .6570 .1256 .3470 .1305 95 ILE 95 -1.5441 .5691 999.9900 999.9900 .6034 -.1239 .6655 .0391 .3001 .0666 96 ILE 96 .2593 -1.3617 999.9900 999.9900 .6034 -.1663 .6493 .0377 .2926 .0376 97 TYR 97 -.0819 .8258 999.9900 999.9900 .5630 .4356 .6769 -.1904 .1710 .3587 98 GLY 98 -2.1575 999.9900 999.9900 999.9900 .7883 -.6846 .5795 .4645 .5156 -.0813 99 HIS 99 -1.6168 -3.1083 999.9900 999.9900 .6686 -1.3522 .6786 .3188 .4687 -.6118 100 ASN 100 -2.3558 -.3237 999.9900 999.9900 .7518 -.6426 .6854 .3969 .5171 -.1691 101 MET 101 -1.0204 -1.7864 999.9900 .9587 .5203 -.3320 .6782 .5250 .5888 -.0208 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .6753 .2482 .4312 .3511 Means: -.8358 -1.5127 -.3869 .2968 .7095 -.3417 .6521 .2107 .3955 -.0443 2.00 analyzed_6