1 MET 1 999.9900 -2.5481 999.9900 .9587 .5203 -.3564 .6734 .5008 .5793 .0210 2 ALA 2 -.6837 999.9900 999.9900 999.9900 .7458 .0311 .6674 .3150 .4618 .2611 3 ASP 3 -1.1787 -2.0928 999.9900 999.9900 .8104 -.8204 .6814 .3718 .5008 -.2816 4 THR 4 -1.8890 999.9900 -.8810 999.9900 .4476 -.7741 .6559 -.2493 .1279 -.3832 5 GLY 5 -.9395 999.9900 999.9900 999.9900 .7883 -.0756 .5891 .4693 .5225 .2268 6 GLU 6 -3.2255 -1.5476 999.9900 -1.0323 .6899 -1.2789 .6775 .5235 .5877 -.6524 7 VAL 7 .0764 999.9900 -1.0788 999.9900 .7810 -.0738 .6574 .1101 .3382 .1093 8 GLN 8 -.6834 -.2368 999.9900 1.3059 .5113 .2243 .6801 .5256 .5900 .3505 9 PHE 9 -.9952 .5389 999.9900 999.9900 .7573 .1003 .6768 .1067 .3443 .2169 10 MET 10 -.9371 -1.0247 999.9900 .9587 .5203 -.1207 .6781 .5133 .5820 .1181 11 LYS 11 -.3223 -2.9005 999.9900 .2868 .7460 -.3807 .5037 .1572 .3016 -.1775 12 PRO 12 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5432 -.3823 .0033 .2462 13 PHE 13 -.2457 .1483 999.9900 999.9900 .7573 .2200 .6774 .1122 .3477 .2899 14 ILE 14 -.1796 .4743 999.9900 999.9900 .6034 .2993 .6515 .0447 .2975 .3188 15 SER 15 .6370 999.9900 -.7153 999.9900 .6705 .1974 .6741 .5333 .5920 .3599 16 GLU 16 .8171 -1.7714 999.9900 .3501 .6899 .0214 .6753 .5169 .5829 .2130 17 LYS 17 -.6960 -1.5020 999.9900 -.0770 .7460 -.3212 .6794 .1486 .3698 -.1111 18 SER 18 -.1309 999.9900 -.7153 999.9900 .6705 -.0586 .6759 .5284 .5899 .2057 19 SER 19 .7360 999.9900 .8786 999.9900 .6705 .7617 .6714 .5296 .5887 .6972 20 LYS 20 -3.5196 -.7918 999.9900 -.4035 .7460 -.8745 .6774 .1704 .3816 -.5035 21 SER 21 .0280 999.9900 -.7153 999.9900 .6705 -.0056 .6801 .5428 .6000 .2412 22 LEU 22 -.3571 -1.5540 999.9900 999.9900 .9565 -.3182 .6765 .1596 .3750 -.0237 23 GLU 23 -.9070 -.7564 999.9900 -1.0323 .6899 -.5015 .6765 .5241 .5876 -.1342 24 ILE 24 -.1408 -.2084 999.9900 999.9900 .6034 .0847 .4686 .0435 .2206 .1533 25 PRO 25 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5406 -.3793 .0040 .1557 26 LEU 26 -.5228 -3.3760 999.9900 999.9900 .9565 -.9808 .6776 .1574 .3742 -.4215 27 GLY 27 .7440 999.9900 999.9900 999.9900 .7883 .7661 .5704 .4723 .5159 .6437 28 PHE 28 -.7647 -1.0890 999.9900 999.9900 .7573 -.3655 .6787 .0957 .3386 -.0644 29 ASN 29 .6990 -2.3357 999.9900 999.9900 .7518 -.2950 .6796 .3746 .5017 .0339 30 GLU 30 -.4919 -2.3808 999.9900 -1.0323 .6899 -.8038 .6824 .5205 .5880 -.3354 31 TYR 31 .3338 -.6967 999.9900 999.9900 .5630 .0667 .6813 -.1700 .1847 .1423 32 PHE 32 -3.6149 -.5729 999.9900 999.9900 .7573 -1.1435 .4719 .1045 .2576 -.5708 33 PRO 33 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5291 -.3730 .0029 .2451 34 ALA 34 -.4433 999.9900 999.9900 999.9900 .7458 .1513 .4930 .3283 .3969 .2810 35 PRO 35 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5434 -.3546 .0196 .2645 36 PHE 36 -1.5081 -.9090 999.9900 999.9900 .7573 -.5533 .4740 .1110 .2623 -.2149 37 PRO 37 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5445 -.3786 .0061 .2009 38 ILE 38 -.4906 -1.4972 999.9900 999.9900 .6034 -.4615 .6585 .0423 .2990 -.1367 39 THR 39 -.5585 999.9900 -.8810 999.9900 .4476 -.3307 .6582 -.2666 .1187 -.1201 40 VAL 40 -.0582 999.9900 .6672 999.9900 .7810 .4633 .6582 .1147 .3411 .4326 41 ASP 41 -.6569 -.2794 999.9900 999.9900 .8104 -.0420 .6797 .3798 .5048 .1867 42 LEU 42 -.3571 .5655 999.9900 999.9900 .9565 .3883 .6780 .1549 .3729 .3995 43 LEU 43 .0762 -2.9612 999.9900 999.9900 .9565 -.6428 .6800 .1589 .3760 -.2179 44 ASP 44 -1.5212 -2.6388 999.9900 999.9900 .8104 -1.1165 .6772 .3831 .5057 -.4578 45 TYR 45 -1.6966 -2.7782 999.9900 999.9900 .5630 -1.3040 .6747 -.1783 .1771 -.6831 46 SER 46 -3.2405 999.9900 -.7153 999.9900 .6705 -1.0951 .6815 .5473 .6032 -.4113 47 GLY 47 -2.1575 999.9900 999.9900 999.9900 .7883 -.6846 .5799 .4643 .5157 -.0812 48 ARG 48 -.5733 -1.0274 999.9900 .5548 .8581 .0734 .6708 .5203 .5830 .2226 49 SER 49 -.0526 999.9900 -.7153 999.9900 .6705 -.0325 .6758 .5274 .5892 .2212 50 TRP 50 -.1951 -.6490 999.9900 999.9900 .9378 .0312 .6760 .1928 .3941 .1925 51 THR 51 .1937 999.9900 -.8810 999.9900 .4476 -.0799 .6602 -.2440 .1327 .0353 52 VAL 52 -.1853 999.9900 -.0276 999.9900 .7810 .1894 .6528 .1242 .3444 .2690 53 ARG 53 -.5160 -1.6149 999.9900 1.0005 .8581 .1457 .6752 .5142 .5813 .2740 54 MET 54 -.2520 .1642 999.9900 .9587 .5203 .3478 .6752 .5161 .5824 .4304 55 LYS 55 -.6340 -1.3520 999.9900 -.4035 .7460 -.4094 .6755 .1448 .3659 -.1752 56 LYS 56 -.3543 .4914 999.9900 -.0770 .7460 .1458 .6800 .1579 .3755 .2239 57 ARG 57 -1.0149 -1.2607 999.9900 .1593 .8581 -.2198 .6745 .5228 .5860 .0141 58 GLY 58 -.4748 999.9900 999.9900 999.9900 .7883 .1567 .5837 .4678 .5193 .3412 59 GLU 59 -.9196 -.9977 999.9900 -1.0323 .6899 -.5650 .6757 .5186 .5841 -.1776 60 LYS 60 -.1665 -.4905 999.9900 -.4035 .7460 -.1436 .6795 .1635 .3785 .0179 61 VAL 61 -1.1433 999.9900 -.2457 999.9900 .7810 -.2027 .6620 .1013 .3350 .0311 62 PHE 62 -.2058 -4.3038 999.9900 999.9900 .7573 -1.2508 .6814 .1017 .3433 -.5938 63 LEU 63 -.1775 -2.2115 999.9900 999.9900 .9565 -.4775 .6801 .1462 .3687 -.1212 64 THR 64 -3.2663 999.9900 -.8810 999.9900 .4476 -1.2333 .6526 -.2551 .1231 -.6604 65 VAL 65 -1.2071 999.9900 .7395 999.9900 .7810 .1045 .6583 .1138 .3407 .2171 66 GLY 66 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .5877 .4762 .5258 -.1515 67 TRP 67 .2222 -3.3859 999.9900 999.9900 .9378 -.7419 .6760 .1939 .3948 -.2712 68 GLU 68 .8604 -1.6501 999.9900 -1.0323 .6899 -.2830 .6767 .5244 .5878 .0115 69 ASN 69 1.3908 .3167 999.9900 999.9900 .7518 .8198 .6726 .3758 .4995 .7016 70 PHE 70 .6259 -.4798 999.9900 999.9900 .7573 .3011 .6756 .0931 .3358 .3344 71 VAL 71 .9834 999.9900 -1.0788 999.9900 .7810 .2286 .6589 .1298 .3503 .2949 72 LYS 72 .3654 -1.5020 999.9900 .1140 .7460 -.0325 .6825 .1613 .3785 .0973 73 ASP 73 .9343 -1.9171 999.9900 999.9900 .8104 -.0575 .6764 .3780 .5023 .1764 74 ASN 74 -.1320 -2.7010 999.9900 999.9900 .7518 -.6937 .6726 .3697 .4959 -.2078 75 ASN 75 -3.4329 -.0726 999.9900 999.9900 .7518 -.9179 .6774 .3818 .5050 -.3389 76 LEU 76 -3.3085 -3.3760 999.9900 999.9900 .9565 -1.9093 .6724 .1505 .3679 -.9810 77 GLU 77 -1.3743 -2.1111 999.9900 -1.0323 .6899 -.9570 .6809 .5137 .5834 -.4389 78 ASP 78 -1.5212 -3.7306 999.9900 999.9900 .8104 -1.4804 .6736 .3733 .4984 -.6789 79 GLY 79 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5789 .4767 .5221 -.4106 80 LYS 80 -.7292 .9554 999.9900 -.4035 .7460 .0330 .6833 .1617 .3790 .1443 81 TYR 81 .4225 -2.3638 999.9900 999.9900 .5630 -.4595 .6749 -.1816 .1753 -.1770 82 LEU 82 -.3571 -3.3760 999.9900 999.9900 .9565 -.9255 .6703 .1644 .3752 -.3884 83 GLN 83 -.1966 -2.2325 999.9900 1.3059 .5113 -.1530 .6786 .5351 .5949 .1003 84 PHE 84 -.2457 -1.3810 999.9900 999.9900 .7573 -.2898 .6727 .1004 .3388 -.0193 85 ILE 85 .0813 -.5821 999.9900 999.9900 .6034 .0342 .6605 .0443 .3010 .1615 86 TYR 86 .2346 .0015 999.9900 999.9900 .5630 .2663 .6760 -.1799 .1767 .2590 87 ASP 87 -.9954 -.1779 999.9900 999.9900 .8104 -.1210 .6804 .3828 .5068 .1401 88 ARG 88 -2.0927 -1.6149 999.9900 .6901 .8581 -.2939 .6738 .5204 .5843 -.0393 89 ASP 89 -2.8635 -1.1646 999.9900 999.9900 .8104 -1.0726 .6800 .3800 .5050 -.4315 90 ARG 90 -1.5415 -2.3766 999.9900 .6901 .8581 -.3360 .6748 .5090 .5780 -.0709 91 THR 91 .3447 999.9900 -.8810 999.9900 .4476 -.0296 .6673 -.2628 .1248 .0632 92 PHE 92 .1097 .1608 999.9900 999.9900 .7573 .3426 .6751 .1044 .3422 .3615 93 TYR 93 .2641 .0738 999.9900 999.9900 .5630 .3003 .6738 -.1706 .1812 .2808 94 VAL 94 -1.1939 999.9900 -1.0788 999.9900 .7810 -.4972 .6503 .1129 .3368 -.1457 95 ILE 95 -1.5441 -.5668 999.9900 999.9900 .6034 -.5025 .6633 .0419 .3008 -.1605 96 ILE 96 .2593 -.9348 999.9900 999.9900 .6034 -.0241 .6593 .0394 .2977 .1253 97 TYR 97 .0017 .5339 999.9900 999.9900 .5630 .3662 .6731 -.1674 .1828 .3209 98 GLY 98 -.6797 999.9900 999.9900 999.9900 .7883 .0543 .5963 .4831 .5334 .2970 99 HIS 99 -.5497 -.0314 999.9900 999.9900 .6686 .0292 .6699 .3279 .4704 .2171 100 ASN 100 -1.5023 -2.3357 999.9900 999.9900 .7518 -1.0287 .6775 .3799 .5039 -.4057 101 MET 101 -1.9811 -.6706 999.9900 .9587 .5203 -.2932 .6768 .5230 .5871 .0045 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .6829 .2405 .4301 .3510 Means: -.6583 -1.2850 -.4777 .1040 .7095 -.2678 .6518 .2115 .3958 .0013 2.00 analyzed_17