1 MET 1 999.9900 -2.0676 999.9900 .9587 .5203 -.1962 .6726 .5022 .5796 .1172 2 GLY 2 -.9638 999.9900 999.9900 999.9900 .7883 -.0878 .5812 .4670 .5177 .2182 3 HIS 3 -.2950 -3.1083 999.9900 999.9900 .6686 -.9116 .6751 .3215 .4688 -.3476 4 HIS 4 -1.9498 -3.1083 999.9900 999.9900 .6686 -1.4632 .6758 .3200 .4683 -.6787 5 HIS 5 -3.0884 -3.1083 999.9900 999.9900 .6686 -1.8427 .6762 .3111 .4633 -.9081 6 HIS 6 -3.0884 -2.0147 999.9900 999.9900 .6686 -1.4782 .6732 .3255 .4703 -.6872 7 HIS 7 -2.1861 .1349 999.9900 999.9900 .6686 -.4609 .6784 .3176 .4679 -.0773 8 HIS 8 -.3517 -2.0147 999.9900 999.9900 .6686 -.5659 .6782 .3265 .4730 -.1386 9 LEU 9 -3.7702 -1.8410 999.9900 999.9900 .9565 -1.5516 .6756 .1516 .3699 -.7655 10 GLU 10 -1.8465 -1.6501 999.9900 -1.0323 .6899 -.9598 .6725 .5223 .5849 -.4407 11 MET 11 -.3206 -2.5481 999.9900 .9587 .5203 -.3474 .6789 .5223 .5876 -.0314 12 ALA 12 -.1744 999.9900 999.9900 999.9900 .7458 .2857 .6661 .3272 .4684 .3912 13 SER 13 -2.0349 999.9900 1.2119 999.9900 .6705 -.0508 .6787 .5367 .5959 .2126 14 GLU 14 -2.1524 -1.1358 999.9900 -1.0323 .6899 -.9077 .6770 .5185 .5846 -.4059 15 GLU 15 -2.3953 -.7009 999.9900 .3501 .6899 -.5140 .6800 .5191 .5861 -.1428 16 GLY 16 1.0314 999.9900 999.9900 999.9900 .7883 .9098 .5827 .4787 .5249 .7203 17 GLN 17 -.4306 -2.2325 999.9900 1.3059 .5113 -.2115 .6742 .5314 .5909 .0599 18 VAL 18 .1037 999.9900 -.2457 999.9900 .7810 .2130 .6609 .1308 .3517 .2862 19 ILE 19 -.9523 -1.5793 999.9900 999.9900 .6034 -.6427 .6541 .0470 .3000 -.2454 20 ALA 20 -1.4499 999.9900 999.9900 999.9900 .7458 -.3521 .6701 .3270 .4700 .0733 21 CYS 21 -.0010 999.9900 .1296 999.9900 .9108 .3465 .6766 .3133 .4646 .4059 22 HIS 22 -1.1973 -3.1083 999.9900 999.9900 .6686 -1.2123 .6763 .3243 .4710 -.5273 23 THR 23 -.5585 999.9900 .0483 999.9900 .4476 -.0209 .6562 -.2577 .1231 .0672 24 VAL 24 .7260 999.9900 -1.0788 999.9900 .7810 .1428 .6509 .1190 .3406 .2397 25 GLU 25 .7157 -1.7714 999.9900 -1.0323 .6899 -.3495 .6760 .5189 .5844 -.0339 26 THR 26 1.2375 999.9900 .2916 999.9900 .4476 .6589 .6639 -.2600 .1250 .4761 27 TRP 27 .9545 .0052 999.9900 999.9900 .9378 .6325 .6819 .1814 .3900 .5522 28 ASN 28 1.0488 -2.7010 999.9900 999.9900 .7518 -.3001 .6796 .3811 .5055 .0321 29 GLU 29 .7157 .3083 999.9900 -1.0323 .6899 .1704 .6818 .5239 .5897 .3145 30 GLN 30 .7370 -2.6982 999.9900 1.3059 .5113 -.0360 .6742 .5187 .5835 .1748 31 LEU 31 .9913 -1.3019 999.9900 999.9900 .9565 .2153 .6830 .1597 .3777 .2977 32 GLN 32 .7451 -1.9601 999.9900 1.3059 .5113 .1506 .6779 .5180 .5846 .2997 33 LYS 33 .8536 -1.4228 999.9900 -.4035 .7460 -.1261 .6760 .1456 .3666 .0273 34 ALA 34 .5364 999.9900 999.9900 999.9900 .7458 .6411 .6596 .3164 .4594 .5646 35 ASN 35 .6990 -1.8756 999.9900 999.9900 .7518 -.1416 .6785 .3794 .5040 .1266 36 GLU 36 .1449 .5420 999.9900 .3501 .6899 .4317 .6760 .5246 .5877 .4879 37 SER 37 -.6681 999.9900 -.7153 999.9900 .6705 -.2376 .6779 .5420 .5986 .1014 38 LYS 38 -1.3259 -1.1755 999.9900 .1140 .7460 -.3055 .6784 .1636 .3781 -.0979 39 THR 39 -.6341 999.9900 -.8810 999.9900 .4476 -.3558 .6601 -.2507 .1288 -.1316 40 LEU 40 -.2022 -3.3760 999.9900 999.9900 .9565 -.8739 .6760 .1516 .3701 -.3588 41 VAL 41 .0764 999.9900 -1.0788 999.9900 .7810 -.0738 .6569 .1238 .3459 .1119 42 VAL 42 .5332 999.9900 -1.0788 999.9900 .7810 .0785 .6594 .1333 .3525 .2056 43 VAL 43 -.0288 999.9900 .4980 999.9900 .7810 .4168 .6610 .1254 .3486 .4073 44 ASP 44 -.6569 -.7325 999.9900 999.9900 .8104 -.1930 .6695 .3708 .4953 .0923 45 PHE 45 .0058 -.5729 999.9900 999.9900 .7573 .0634 .6767 .0906 .3348 .1915 46 THR 46 -.0676 999.9900 -.8810 999.9900 .4476 -.1670 .6550 -.2377 .1343 -.0168 47 ALA 47 -.5338 999.9900 999.9900 999.9900 .7458 .1060 .6640 .3156 .4608 .2979 48 SER 48 .7489 999.9900 -.7153 999.9900 .6705 .2347 .6744 .5233 .5863 .3804 49 TRP 49 -1.3140 -3.3859 999.9900 999.9900 .9378 -1.2540 .6774 .1912 .3938 -.5787 50 CYS 50 .3472 -1.5342 999.9900 .2382 .9108 -.0095 .6746 .3134 .4639 .1583 51 GLY 51 -1.7079 999.9900 999.9900 999.9900 .7883 -.4598 .3456 .4786 .4195 -.0239 52 PRO 52 -2.3165 999.9900 999.9900 999.9900 .4496 -.9334 .5384 -.3643 .0119 -.4232 53 CYS 53 .4024 -2.0054 999.9900 .2382 .9108 -.1135 .6738 .3142 .4641 .0890 54 ARG 54 .6041 -1.0274 999.9900 .1593 .8581 .1507 .6758 .5089 .5784 .2769 55 PHE 55 .1779 -1.2526 999.9900 999.9900 .7573 -.1058 .6747 .0970 .3377 .0909 56 ILE 56 -1.3063 -3.0500 999.9900 999.9900 .6034 -1.2510 .6544 .0271 .2885 -.6143 57 ALA 57 .7636 999.9900 999.9900 999.9900 .7458 .7547 .4797 .3192 .3861 .5771 58 PRO 58 -1.1138 999.9900 999.9900 999.9900 .4496 -.3321 .5582 -.3951 .0021 -.1252 59 PHE 59 1.0502 -.6612 999.9900 999.9900 .7573 .3821 .6789 .1019 .3423 .3854 60 PHE 60 .6090 -.1636 999.9900 999.9900 .7573 .4009 .6715 .1104 .3442 .3969 61 ALA 61 .6496 999.9900 999.9900 999.9900 .7458 .6977 .6676 .3228 .4665 .5964 62 ASP 62 1.0815 -2.6388 999.9900 999.9900 .8104 -.2490 .6788 .3853 .5076 .0634 63 LEU 63 .4996 -2.4128 999.9900 999.9900 .9565 -.3189 .6794 .1627 .3780 -.0229 64 ALA 64 .0470 999.9900 999.9900 999.9900 .7458 .3964 .6658 .3127 .4598 .4428 65 LYS 65 .0195 .0952 999.9900 .2868 .7460 .2869 .6761 .1565 .3730 .3238 66 LYS 66 .8536 -1.5918 999.9900 .6506 .7460 .2618 .6808 .1585 .3761 .3069 67 LEU 67 -1.9234 -3.3760 999.9900 999.9900 .9565 -1.4476 .4773 .1646 .2949 -.7402 68 PRO 68 -.1156 999.9900 999.9900 999.9900 .4496 .1670 .5547 -.3464 .0291 .1356 69 ASN 69 .6639 -2.3357 999.9900 999.9900 .7518 -.3067 .6779 .3921 .5112 .0300 70 VAL 70 -.3682 999.9900 -.0276 999.9900 .7810 .1284 .6562 .1184 .3425 .2320 71 LEU 71 -.0411 -.3539 999.9900 999.9900 .9565 .1872 .6756 .1542 .3715 .2783 72 PHE 72 .1097 -1.0645 999.9900 999.9900 .7573 -.0658 .6761 .1168 .3498 .1191 73 LEU 73 -.6392 -2.9612 999.9900 999.9900 .9565 -.8813 .6783 .1549 .3730 -.3621 74 LYS 74 -.2858 -1.5020 999.9900 -.0770 .7460 -.2392 .6768 .1505 .3698 -.0526 75 VAL 75 .1158 999.9900 .4980 999.9900 .7810 .4649 .6620 .1249 .3487 .4363 76 ASP 76 -.3819 -2.6388 999.9900 999.9900 .8104 -.7368 .6700 .3822 .5021 -.2316 77 THR 77 .4802 999.9900 -.8810 999.9900 .4476 .0156 .6523 -.2541 .1236 .0890 78 ASP 78 .6201 -2.0928 999.9900 999.9900 .8104 -.2208 .6782 .3890 .5095 .0810 79 GLU 79 -1.2977 -2.3808 999.9900 .3501 .6899 -.6596 .6740 .5282 .5889 -.2394 80 LEU 80 -1.6816 -2.9612 999.9900 999.9900 .9565 -1.2288 .6714 .1654 .3762 -.5699 81 LYS 81 .9480 -.8217 999.9900 .4411 .7460 .3509 .6802 .1543 .3734 .3699 82 SER 82 1.1864 999.9900 -.7153 999.9900 .6705 .3805 .6741 .5362 .5936 .4704 83 VAL 83 .8065 999.9900 -1.0788 999.9900 .7810 .1696 .6543 .1280 .3473 .2582 84 ALA 84 .9879 999.9900 999.9900 999.9900 .7458 .8668 .6671 .3215 .4655 .6806 85 SER 85 1.0911 999.9900 -.7153 999.9900 .6705 .3488 .6775 .5363 .5951 .4520 86 ASP 86 .9343 -2.6388 999.9900 999.9900 .8104 -.2980 .6750 .3755 .5003 .0313 87 TRP 87 -.6038 1.1164 999.9900 999.9900 .9378 .4835 .6777 .1803 .3875 .4617 88 ALA 88 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6653 .3190 .4633 -.4336 89 ILE 89 -1.5964 -.1188 999.9900 999.9900 .6034 -.3706 .6612 .0422 .3001 -.0817 90 GLN 90 -1.4152 -2.2325 999.9900 1.3059 .5113 -.4576 .6760 .5244 .5875 -.1050 91 ALA 91 -1.0373 999.9900 999.9900 999.9900 .7458 -.1458 .6659 .3156 .4615 .1725 92 MET 92 -.6588 -.9517 999.9900 .9587 -1.9874 -.6598 .4948 .5213 .5103 -.2705 93 PRO 93 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5456 -.3626 .0158 .2631 94 THR 94 .4874 999.9900 -.8810 999.9900 .4476 .0180 .6603 -.2610 .1229 .0906 95 PHE 95 .0058 -1.6624 999.9900 999.9900 .7573 -.2998 .6714 .1040 .3404 -.0248 96 MET 96 -.2922 -1.5870 999.9900 .9587 .5203 -.1001 .6763 .5200 .5852 .1327 97 PHE 97 -.0168 -4.3038 999.9900 999.9900 .7573 -1.1878 .6800 .0896 .3356 -.5588 98 LEU 98 -1.1512 -3.3760 999.9900 999.9900 .9565 -1.1902 .6783 .1521 .3714 -.5481 99 LYS 99 -.1919 -1.0359 999.9900 -.4035 .7460 -.2577 .6734 .1573 .3723 -.0654 100 GLU 100 -1.4621 .1870 999.9900 -1.0323 .6899 -.4044 .6765 .5128 .5810 -.0714 101 GLY 101 1.1139 999.9900 999.9900 999.9900 .7883 .9511 .5752 .4673 .5152 .7362 102 LYS 102 -.3543 -2.1617 999.9900 .1731 .7460 -.2848 .6778 .1561 .3735 -.0843 103 ILE 103 -1.3252 .5468 999.9900 999.9900 .6034 -.0583 .6549 .0378 .2949 .1036 104 LEU 104 -2.1729 -.7315 999.9900 999.9900 .9565 -.6493 .6663 .1686 .3760 -.2226 105 ASP 105 -.6293 -3.7306 999.9900 999.9900 .8104 -1.1832 .6771 .3742 .5004 -.4997 106 LYS 106 -.3223 -.5490 999.9900 -.4035 .7460 -.1865 .6740 .1478 .3671 -.0158 107 VAL 107 -.3161 999.9900 .6672 999.9900 .7810 .3774 .6544 .1271 .3468 .3827 108 VAL 108 -.0951 999.9900 -1.0788 999.9900 .7810 -.1310 .6538 .1164 .3403 .0755 109 GLY 109 -.7885 999.9900 999.9900 999.9900 .7883 -.0001 .5820 .4690 .5192 .2627 110 ALA 110 -1.4499 999.9900 999.9900 999.9900 .7458 -.3521 .6662 .3099 .4584 .0680 111 LYS 111 -.9887 -1.2879 999.9900 -.4035 .7460 -.4675 .6747 .1602 .3746 -.2147 112 LYS 112 .9480 -2.1617 999.9900 -.4035 .7460 -.2549 .6835 .1581 .3770 -.0619 113 ASP 113 .9921 -2.0928 999.9900 999.9900 .8104 -.0968 .6782 .3838 .5065 .1543 114 GLU 114 .8171 -2.1111 999.9900 -1.0323 .6899 -.4091 .6793 .5204 .5866 -.0728 115 LEU 115 .2355 -1.4996 999.9900 999.9900 .9565 -.1025 .6767 .1559 .3729 .1050 116 GLN 116 .4537 -1.2219 999.9900 1.3059 .5113 .2622 .6798 .5228 .5882 .3752 117 SER 117 .8651 999.9900 -.7153 999.9900 .6705 .2734 .6845 .5320 .5956 .4074 118 THR 118 .7717 999.9900 -.8810 999.9900 .4476 .1128 .6568 -.2666 .1181 .1457 119 ILE 119 .6852 .8237 999.9900 999.9900 .6034 .7041 .6627 .0465 .3032 .5643 120 ALA 120 .5364 999.9900 999.9900 999.9900 .7458 .6411 .6600 .3159 .4593 .5645 121 LYS 121 1.0429 -2.9005 999.9900 -.4035 .7460 -.3837 .6775 .1621 .3768 -.1542 122 HIS 122 .1567 .6357 999.9900 999.9900 .6686 .4870 .6823 .3292 .4763 .4945 123 LEU 123 -1.4828 -3.3760 999.9900 999.9900 .9565 -1.3008 .6734 .1636 .3760 -.6131 124 ALA 124 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .6609 .2452 .4234 .4531 Means: -.2660 -1.6584 -.4293 .0946 .7026 -.2069 .6585 .2395 .4146 .0472 2.00 analyzed_15