1 MET 1 999.9900 -1.1064 999.9900 .9587 .5203 .1242 .6767 .5045 .5828 .3108 2 ALA 2 -.9332 999.9900 999.9900 999.9900 .7458 -.0937 .6649 .3148 .4607 .1981 3 ASP 3 -3.3417 -3.1847 999.9900 999.9900 .8104 -1.9053 .6779 .3783 .5032 -.9319 4 THR 4 -.2485 999.9900 .4804 999.9900 .4476 .2265 .6560 -.2442 .1309 .2183 5 GLY 5 -.2842 999.9900 999.9900 999.9900 .7883 .2520 .5856 .4823 .5282 .3930 6 GLU 6 -3.2255 -2.1111 999.9900 -1.0323 .6899 -1.4198 .6729 .5142 .5804 -.7487 7 VAL 7 -.0145 999.9900 -1.0788 999.9900 .7810 -.1041 .6596 .1211 .3455 .0937 8 GLN 8 -.4306 -1.4944 999.9900 1.3059 .5113 -.0270 .6785 .5261 .5896 .1828 9 PHE 9 -.9952 .8308 999.9900 999.9900 .7573 .1976 .6786 .0999 .3410 .2743 10 MET 10 -.1559 -2.0676 999.9900 .9587 .5203 -.1861 .6766 .5192 .5848 .0752 11 LYS 11 -.5771 -1.9682 999.9900 -.4035 .7460 -.5213 .5012 .1583 .3012 -.2781 12 PRO 12 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5472 -.3637 .0158 .2519 13 PHE 13 .0900 -3.0602 999.9900 999.9900 .7573 -.7376 .6743 .0910 .3340 -.2895 14 ILE 14 .4877 -.6929 999.9900 999.9900 .6034 .1328 .6572 .0383 .2962 .2188 15 SER 15 .6370 999.9900 -.7153 999.9900 .6705 .1974 .6765 .5264 .5890 .3590 16 GLU 16 .8733 -1.7714 999.9900 -1.0323 .6899 -.3101 .6770 .5128 .5812 -.0085 17 LYS 17 -1.1367 -2.1617 999.9900 -.4035 .7460 -.6719 .6780 .1627 .3774 -.3598 18 SER 18 .1386 999.9900 -.7153 999.9900 .6705 .0313 .6707 .5276 .5872 .2584 19 SER 19 .1589 999.9900 1.4608 999.9900 .6705 .7634 .6738 .5313 .5907 .6991 20 LYS 20 -3.5196 -1.2879 999.9900 -.0397 .7460 -.8282 .6796 .1617 .3775 -.4714 21 SER 21 -.4961 999.9900 -.7153 999.9900 .6705 -.1803 .6717 .5273 .5875 .1316 22 LEU 22 -1.0889 -1.9980 999.9900 999.9900 .9565 -.7101 .6711 .1504 .3673 -.2618 23 GLU 23 -.3890 -.9977 999.9900 -1.0323 .6899 -.4323 .6755 .5235 .5868 -.0884 24 ILE 24 -.1408 -.9795 999.9900 999.9900 .6034 -.1723 .4736 .0402 .2208 -.0006 25 PRO 25 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5406 -.3846 .0009 .1544 26 LEU 26 -1.3832 -2.9612 999.9900 999.9900 .9565 -1.1293 .6760 .1588 .3743 -.5106 27 GLY 27 .4759 999.9900 999.9900 999.9900 .7883 .6321 .5633 .4688 .5108 .5741 28 PHE 28 -.5116 -3.3183 999.9900 999.9900 .7573 -1.0242 .6794 .1018 .3425 -.4583 29 ASN 29 1.3908 -.7732 999.9900 999.9900 .7518 .4565 .6784 .3871 .5085 .4870 30 GLU 30 .0468 -2.8418 999.9900 -1.0323 .6899 -.7844 .6770 .5307 .5916 -.3216 31 TYR 31 -.0083 -4.1972 999.9900 999.9900 .5630 -1.2142 .6770 -.1675 .1843 -.6266 32 PHE 32 -3.6149 -.4925 999.9900 999.9900 .7573 -1.1167 .4905 .1198 .2743 -.5479 33 PRO 33 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5420 -.3693 .0104 .2492 34 ALA 34 -.4433 999.9900 999.9900 999.9900 .7458 .1513 .4733 .3192 .3834 .2737 35 PRO 35 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5445 -.3677 .0124 .2615 36 PHE 36 -1.3242 .0697 999.9900 999.9900 .7573 -.1657 .5064 .0922 .2648 .0203 37 PRO 37 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5487 -.3576 .0201 .2072 38 ILE 38 .5785 -1.3043 999.9900 999.9900 .6034 -.0408 .6599 .0539 .3064 .1183 39 THR 39 -.8088 999.9900 -.8810 999.9900 .4476 -.4141 .6629 -.2700 .1187 -.1699 40 VAL 40 -.0523 999.9900 .5873 999.9900 .7810 .4387 .6622 .1151 .3431 .4187 41 ASP 41 -1.2415 -.9304 999.9900 999.9900 .8104 -.4538 .6770 .3889 .5090 -.0591 42 LEU 42 -.0536 .3561 999.9900 999.9900 .9565 .4197 .6699 .1596 .3722 .4177 43 LEU 43 .0762 -3.3760 999.9900 999.9900 .9565 -.7811 .6761 .1593 .3746 -.3016 44 ASP 44 -1.5212 -1.7105 999.9900 999.9900 .8104 -.8071 .6830 .3762 .5040 -.2724 45 TYR 45 -1.4375 -1.3246 999.9900 999.9900 .5630 -.7331 .6787 -.1817 .1768 -.3404 46 SER 46 -1.4791 999.9900 -.7153 999.9900 .6705 -.5080 .6805 .5329 .5944 -.0621 47 GLY 47 -1.9441 999.9900 999.9900 999.9900 .7883 -.5779 .5850 .4748 .5238 -.0240 48 ARG 48 -.5733 .4564 999.9900 .1593 .8581 .2120 .6771 .5139 .5819 .3215 49 SER 49 .0374 999.9900 1.0592 999.9900 .6705 .5891 .6770 .5339 .5935 .5956 50 TRP 50 .1337 -.2441 999.9900 999.9900 .9378 .2758 .6742 .1840 .3882 .3371 51 THR 51 .4171 999.9900 .2916 999.9900 .4476 .3854 .6542 -.2491 .1273 .3123 52 VAL 52 -.0145 999.9900 -.2457 999.9900 .7810 .1736 .6571 .1287 .3489 .2613 53 ARG 53 -.5160 -2.8571 999.9900 .1593 .8581 -.4393 .6766 .5228 .5869 -.1424 54 MET 54 -.3206 -2.5481 999.9900 .9587 .5203 -.3474 .6765 .5229 .5869 -.0317 55 LYS 55 -.2799 -1.5020 999.9900 -.4035 .7460 -.3686 .6743 .1767 .3840 -.1417 56 LYS 56 -.2075 -1.5918 999.9900 -.4035 .7460 -.3721 .6751 .1667 .3785 -.1455 57 ARG 57 -1.7561 -.7463 999.9900 .1593 .8581 -.2651 .6846 .5224 .5900 -.0170 58 GLY 58 -.4748 999.9900 999.9900 999.9900 .7883 .1567 .5798 .4725 .5202 .3414 59 GLU 59 -.9196 -2.3808 999.9900 -1.0323 .6899 -.9107 .6801 .5281 .5914 -.4058 60 LYS 60 -.2075 -.2695 999.9900 -.0397 .7460 .0379 .6639 .1597 .3698 .1447 61 VAL 61 .0764 999.9900 -.5532 999.9900 .7810 .1014 .6572 .1306 .3500 .2184 62 PHE 62 -.3916 .0419 999.9900 999.9900 .7573 .1359 .6786 .0990 .3405 .2370 63 LEU 63 -.3855 -2.5464 999.9900 999.9900 .9565 -.6584 .6801 .1639 .3790 -.2263 64 THR 64 -4.2065 999.9900 -.8810 999.9900 .4476 -1.5467 .6516 -.2587 .1206 -.8494 65 VAL 65 -1.2071 999.9900 -1.0788 999.9900 .7810 -.5016 .6592 .1158 .3422 -.1460 66 GLY 66 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .5710 .4725 .5163 -.1566 67 TRP 67 -.6924 -3.3859 999.9900 999.9900 .9378 -1.0468 .6751 .1854 .3894 -.4560 68 GLU 68 .8604 -.9977 999.9900 -1.0323 .6899 -.1200 .6787 .5123 .5817 .1185 69 ASN 69 1.3908 .7181 999.9900 999.9900 .7518 .9536 .6749 .3710 .4976 .7813 70 PHE 70 .8041 -1.6624 999.9900 999.9900 .7573 -.0336 .6712 .1109 .3443 .1362 71 VAL 71 .9834 999.9900 -1.0788 999.9900 .7810 .2286 .6613 .1193 .3451 .2933 72 LYS 72 .6780 -.8530 999.9900 -.4035 .7460 -.0472 .6804 .1512 .3717 .0851 73 ASP 73 .9921 -1.7105 999.9900 999.9900 .8104 .0307 .6719 .3749 .4987 .2278 74 ASN 74 -.1320 -2.0766 999.9900 999.9900 .7518 -.4856 .6818 .3851 .5087 -.0780 75 ASN 75 -3.4329 .2680 999.9900 999.9900 .7518 -.8044 .6756 .3897 .5089 -.2695 76 LEU 76 -1.1512 -2.1315 999.9900 999.9900 .9565 -.7754 .6806 .1632 .3788 -.2965 77 GLU 77 -1.3743 -1.4588 999.9900 -1.0323 .6899 -.7939 .6710 .5177 .5816 -.3311 78 ASP 78 -.7312 -.5059 999.9900 999.9900 .8104 -.1422 .6770 .3763 .5016 .1253 79 GLY 79 -1.3026 999.9900 999.9900 999.9900 .7883 -.2571 .5783 .4773 .5222 .1353 80 LYS 80 -.7069 -2.1617 999.9900 .6133 .7460 -.1792 .6784 .1622 .3773 -.0079 81 TYR 81 .6244 .2551 999.9900 999.9900 .5630 .4808 .6793 -.1822 .1767 .3879 82 LEU 82 -.4552 .8710 999.9900 999.9900 .9565 .4574 .6804 .1477 .3697 .4401 83 GLN 83 -.1966 -1.0287 999.9900 1.3059 .5113 .1480 .6700 .5192 .5820 .2969 84 PHE 84 -.2457 -.6308 999.9900 999.9900 .7573 -.0397 .6767 .0987 .3395 .1313 85 ILE 85 .3543 -3.0500 999.9900 999.9900 .6034 -.6974 .6525 .0505 .3013 -.2779 86 TYR 86 .4225 .8492 999.9900 999.9900 .5630 .6115 .6745 -.1819 .1749 .4654 87 ASP 87 -3.3417 -1.7105 999.9900 999.9900 .8104 -1.4139 .6818 .3900 .5116 -.6340 88 ARG 88 -2.9267 -2.3766 999.9900 .1593 .8581 -.8253 .6824 .5284 .5926 -.4165 89 ASP 89 -2.5838 -1.2276 999.9900 999.9900 .8104 -1.0003 .6738 .3842 .5049 -.3886 90 ARG 90 -2.5097 -1.5080 999.9900 .1593 .8581 -.5682 .6762 .5305 .5912 -.2335 91 THR 91 .4874 999.9900 -.8810 999.9900 .4476 .0180 .6519 -.2522 .1245 .0907 92 PHE 92 .1097 -1.7621 999.9900 999.9900 .7573 -.2984 .6736 .1100 .3449 -.0223 93 TYR 93 .0500 -.0856 999.9900 999.9900 .5630 .1758 .6792 -.1675 .1853 .2078 94 VAL 94 -.3909 999.9900 -.0276 999.9900 .7810 .1208 .6588 .1131 .3405 .2269 95 ILE 95 -.6753 -1.5368 999.9900 999.9900 .6034 -.5362 .6596 .0376 .2967 -.1823 96 ILE 96 .0813 -2.4201 999.9900 999.9900 .6034 -.5784 .6561 .0399 .2967 -.2079 97 TYR 97 -.3077 -2.1671 999.9900 999.9900 .5630 -.6373 .6825 -.1688 .1859 -.2796 98 GLY 98 -1.7786 999.9900 999.9900 999.9900 .7883 -.4952 .5761 .4697 .5170 .0139 99 HIS 99 -3.0884 -3.1083 999.9900 999.9900 .6686 -1.8427 .6748 .3236 .4700 -.9059 100 ASN 100 -3.4329 -1.0869 999.9900 999.9900 .7518 -1.2560 .6772 .3818 .5049 -.5418 101 MET 101 -1.8017 -2.0676 999.9900 .9587 .5203 -.5976 .6762 .5160 .5828 -.1997 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .6782 .2354 .4251 .3477 Means: -.6515 -1.4607 -.2925 -.0552 .7095 -.3110 .6517 .2127 .3965 -.0251 2.00 analyzed_3