1 MET 1 999.9900 -.4373 999.9900 .9587 .5203 .3472 .6701 .4938 .5739 .4411 2 ALA 2 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6746 .3218 .4688 -.4306 3 ASP 3 -2.5838 -2.0928 999.9900 999.9900 .8104 -1.2888 .6738 .3712 .4973 -.5643 4 THR 4 -.2485 999.9900 -.8810 999.9900 .4476 -.2273 .6592 -.2482 .1299 -.0542 5 GLY 5 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5830 .4652 .5176 -.4125 6 GLU 6 -2.8104 -2.1111 999.9900 -1.0323 .6899 -1.3160 .6727 .5277 .5881 -.6773 7 VAL 7 .0815 999.9900 -.5532 999.9900 .7810 .1031 .6580 .1197 .3440 .2174 8 GLN 8 -.8152 -2.6982 999.9900 1.3059 .5113 -.4240 .6768 .5107 .5799 -.0848 9 PHE 9 -.1228 .5389 999.9900 999.9900 .7573 .3911 .6769 .1087 .3454 .3918 10 MET 10 -.1025 -.2135 999.9900 .9587 .5203 .2907 .6806 .5236 .5890 .3945 11 LYS 11 -.8267 -2.9005 999.9900 -.4035 .7460 -.7577 .4981 .1559 .2985 -.4478 12 PRO 12 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5480 -.3750 .0096 .2493 13 PHE 13 .1032 -.5729 999.9900 999.9900 .7573 .0959 .6785 .1076 .3455 .2147 14 ILE 14 -.3198 -1.4972 999.9900 999.9900 .6034 -.4045 .6588 .0393 .2974 -.1031 15 SER 15 .1589 999.9900 -.7153 999.9900 .6705 .0380 .6707 .5323 .5899 .2634 16 GLU 16 .8171 -1.7714 999.9900 .3501 .6899 .0214 .6746 .5180 .5833 .2131 17 LYS 17 -1.4779 -.1933 999.9900 -.4035 .7460 -.3465 .6790 .1536 .3725 -.1285 18 SER 18 -.6212 999.9900 -.7153 999.9900 .6705 -.2220 .6784 .5347 .5946 .1094 19 SER 19 .1589 999.9900 -.7153 999.9900 .6705 .0380 .6844 .5383 .5992 .2674 20 LYS 20 -3.5196 .0465 999.9900 -.0770 .7460 -.5762 .6805 .1608 .3773 -.2914 21 SER 21 -.3889 999.9900 -.7153 999.9900 .6705 -.1446 .6720 .5347 .5919 .1546 22 LEU 22 -.2246 -3.3760 999.9900 999.9900 .9565 -.8813 .6702 .1542 .3692 -.3639 23 GLU 23 -.5578 -2.8418 999.9900 -1.0323 .6899 -.9355 .6696 .5231 .5841 -.4249 24 ILE 24 .2593 -.2003 999.9900 999.9900 .6034 .2208 .4620 .0472 .2200 .2343 25 PRO 25 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5465 -.3519 .0224 .1641 26 LEU 26 -.5228 -2.1315 999.9900 999.9900 .9565 -.5660 .6753 .1613 .3754 -.1723 27 GLY 27 .0582 999.9900 999.9900 999.9900 .7883 .4232 .5866 .4760 .5252 .4773 28 PHE 28 -.5116 -1.8165 999.9900 999.9900 .7573 -.5236 .6755 .0979 .3385 -.1595 29 ASN 29 1.1272 .1235 999.9900 999.9900 .7518 .6675 .6752 .3936 .5110 .6143 30 GLU 30 -.4919 -.1765 999.9900 -1.0323 .6899 -.2527 .6743 .5149 .5813 .0297 31 TYR 31 -.0710 -4.1972 999.9900 999.9900 .5630 -1.2351 .6785 -.1849 .1749 -.6423 32 PHE 32 -3.6149 -.4925 999.9900 999.9900 .7573 -1.1167 .4943 .1010 .2649 -.5509 33 PRO 33 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5567 -.3663 .0183 .2536 34 ALA 34 -.4433 999.9900 999.9900 999.9900 .7458 .1513 .4711 .3145 .3798 .2720 35 PRO 35 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5328 -.3928 -.0071 .2523 36 PHE 36 -1.5081 -.9090 999.9900 999.9900 .7573 -.5533 .4914 .1016 .2640 -.2134 37 PRO 37 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5395 -.3733 .0071 .2009 38 ILE 38 -1.4718 -1.4972 999.9900 999.9900 .6034 -.7885 .6551 .0311 .2911 -.3359 39 THR 39 -.8088 999.9900 -.8810 999.9900 .4476 -.4141 .6591 -.2659 .1195 -.1698 40 VAL 40 -.0523 999.9900 .8055 999.9900 .7810 .5114 .6530 .1167 .3402 .4608 41 ASP 41 -.9091 -.7868 999.9900 999.9900 .8104 -.2952 .6757 .3886 .5082 .0358 42 LEU 42 .1006 -.0413 999.9900 999.9900 .9565 .3386 .6754 .1623 .3761 .3707 43 LEU 43 .0762 -3.3760 999.9900 999.9900 .9565 -.7811 .6766 .1654 .3784 -.3002 44 ASP 44 -1.5212 -2.8653 999.9900 999.9900 .8104 -1.1920 .6696 .3812 .5013 -.5051 45 TYR 45 -3.1208 -4.1972 999.9900 999.9900 .5630 -2.2517 .6811 -.1701 .1846 -1.2488 46 SER 46 -3.7598 999.9900 -.7153 999.9900 .6705 -1.2682 .6700 .5283 .5874 -.5213 47 GLY 47 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .5867 .4684 .5210 -.1537 48 ARG 48 -.5733 -2.0954 999.9900 .6901 .8581 -.0861 .6733 .5146 .5807 .1082 49 SER 49 -.0526 999.9900 .8786 999.9900 .6705 .4989 .6826 .5362 .5972 .5431 50 TRP 50 -.3273 -.6490 999.9900 999.9900 .9378 -.0129 .6748 .1881 .3909 .1649 51 THR 51 .1937 999.9900 -.8810 999.9900 .4476 -.0799 .6589 -.2659 .1194 .0307 52 VAL 52 -.1853 999.9900 -.2457 999.9900 .7810 .1167 .6627 .1227 .3477 .2271 53 ARG 53 -.5160 -2.3766 999.9900 1.0005 .8581 -.0067 .6809 .5170 .5853 .1663 54 MET 54 -.1902 .4901 999.9900 .9587 .5203 .4447 .6766 .5234 .5873 .4965 55 LYS 55 -.8267 .4603 999.9900 -.4035 .7460 -.0855 .6778 .1443 .3666 .0564 56 LYS 56 -.3543 -1.2879 999.9900 -.4035 .7460 -.3406 .6814 .1540 .3737 -.1240 57 ARG 57 -1.0405 -1.8960 999.9900 .1593 .8581 -.3519 .6782 .5146 .5828 -.0810 58 GLY 58 -.0489 999.9900 999.9900 999.9900 .7883 .3697 .5891 .4774 .5271 .4515 59 GLU 59 -.7734 -1.5476 999.9900 -1.0323 .6899 -.6658 .6734 .5193 .5835 -.2451 60 LYS 60 -.4999 -1.9682 999.9900 -.4035 .7460 -.5058 .6784 .1540 .3725 -.2424 61 VAL 61 -.0463 999.9900 .9224 999.9900 .7810 .5524 .6587 .1269 .3485 .4885 62 PHE 62 -.3916 -4.3038 999.9900 999.9900 .7573 -1.3127 .6757 .1077 .3444 -.6309 63 LEU 63 -.7582 -2.7185 999.9900 999.9900 .9565 -.8401 .6785 .1632 .3779 -.3357 64 THR 64 -4.2065 999.9900 -.8810 999.9900 .4476 -1.5467 .6537 -.2607 .1203 -.8494 65 VAL 65 -1.2071 999.9900 -.5532 999.9900 .7810 -.3264 .6561 .1236 .3454 -.0399 66 GLY 66 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .5835 .4700 .5204 -.1541 67 TRP 67 -.6924 -3.3859 999.9900 999.9900 .9378 -1.0468 .6763 .1829 .3885 -.4563 68 GLU 68 .8604 -.5578 999.9900 -1.0323 .6899 -.0100 .6842 .5260 .5919 .1950 69 ASN 69 .7786 1.0241 999.9900 999.9900 .7518 .8515 .6805 .3899 .5110 .7250 70 PHE 70 .6259 -1.6624 999.9900 999.9900 .7573 -.0931 .6769 .0938 .3368 .0983 71 VAL 71 .9834 999.9900 -1.0788 999.9900 .7810 .2286 .6580 .1137 .3405 .2915 72 LYS 72 .4938 -2.1617 999.9900 -.4035 .7460 -.3458 .6784 .1624 .3774 -.1269 73 ASP 73 .9921 -3.7306 999.9900 999.9900 .8104 -.6427 .6716 .3783 .5005 -.1756 74 ASN 74 -.1320 -2.0766 999.9900 999.9900 .7518 -.4856 .6840 .3854 .5098 -.0775 75 ASN 75 -3.4329 -1.2512 999.9900 999.9900 .7518 -1.3107 .6769 .3808 .5042 -.5749 76 LEU 76 -1.9664 -2.1315 999.9900 999.9900 .9565 -1.0471 .6745 .1494 .3682 -.4635 77 GLU 77 -1.3743 -1.3804 999.9900 -1.0323 .6899 -.7743 .6782 .5221 .5872 -.3161 78 ASP 78 -1.5212 -2.3194 999.9900 999.9900 .8104 -1.0101 .6776 .3766 .5020 -.3952 79 GLY 79 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5686 .4728 .5154 -.4142 80 LYS 80 -.7762 .6283 999.9900 -.0397 .7460 .1037 .6751 .1595 .3743 .1933 81 TYR 81 .4225 .8376 999.9900 999.9900 .5630 .6077 .6768 -.1723 .1815 .4655 82 LEU 82 -.3075 -2.9612 999.9900 999.9900 .9565 -.7707 .6752 .1477 .3675 -.2978 83 GLN 83 -.1966 -2.6982 999.9900 1.3059 .5113 -.2694 .6797 .5287 .5916 .0218 84 PHE 84 -.2457 -3.6820 999.9900 999.9900 .7573 -1.0568 .6804 .1000 .3418 -.4780 85 ILE 85 .0718 .4743 999.9900 999.9900 .6034 .3831 .6630 .0510 .3060 .3727 86 TYR 86 .4225 -.9671 999.9900 999.9900 .5630 .0061 .6820 -.1861 .1756 .1028 87 ASP 87 -1.5212 -.4074 999.9900 999.9900 .8104 -.3727 .6766 .3800 .5036 -.0123 88 ARG 88 -2.0927 .3427 999.9900 .1593 .8581 -.1147 .6737 .5092 .5777 .0871 89 ASP 89 -2.3854 -2.1980 999.9900 999.9900 .8104 -1.2577 .6792 .3862 .5083 -.5415 90 ARG 90 -1.5415 -.2494 999.9900 .1593 .8581 -.1228 .6762 .5208 .5855 .0833 91 THR 91 -.0150 999.9900 -.8810 999.9900 .4476 -.1495 .6553 -.2513 .1264 -.0089 92 PHE 92 .0629 -.4548 999.9900 999.9900 .7573 .1218 .6769 .1039 .3427 .2292 93 TYR 93 .3730 -.1547 999.9900 999.9900 .5630 .2604 .6783 -.1711 .1828 .2577 94 VAL 94 -.3909 999.9900 .5873 999.9900 .7810 .3258 .6585 .1295 .3499 .3531 95 ILE 95 -1.5441 -1.5368 999.9900 999.9900 .6034 -.8258 .6626 .0438 .3016 -.3542 96 ILE 96 .0813 -2.0226 999.9900 999.9900 .6034 -.4460 .6620 .0505 .3053 -.1251 97 TYR 97 -.0495 .5339 999.9900 999.9900 .5630 .3491 .6753 -.1801 .1763 .3085 98 GLY 98 -2.6716 999.9900 999.9900 999.9900 .7883 -.9416 .5894 .4827 .5301 -.2028 99 HIS 99 -.9818 -3.1083 999.9900 999.9900 .6686 -1.1405 .6790 .3206 .4700 -.4844 100 ASN 100 -.4928 -1.7113 999.9900 999.9900 .7518 -.4841 .6733 .3800 .5022 -.0798 101 MET 101 -1.1165 -1.3058 999.9900 .9587 .5203 -.2359 .6766 .5177 .5839 .0418 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .6784 .2456 .4311 .3512 Means: -.7556 -1.4616 -.3731 -.0035 .7095 -.3414 .6521 .2118 .3961 -.0439 2.00 analyzed_1