1 GLU 1 999.9900 -1.5476 999.9900 .3501 .6899 -.1692 .6708 .5107 .5835 .1348 2 ALA 2 -.4433 999.9900 999.9900 999.9900 .7458 .1513 .6673 .3291 .4700 .3247 3 GLU 3 -3.2255 -1.4588 999.9900 .3501 .6899 -.9111 .6753 .5200 .5847 -.4082 4 VAL 4 -1.2206 999.9900 -1.0788 999.9900 .7810 -.5061 .6593 .1195 .3444 -.1479 5 HIS 5 -.8643 -.0314 999.9900 999.9900 .6686 -.0757 .6828 .3286 .4762 .1569 6 ASN 6 -2.8943 -1.1653 999.9900 999.9900 .7518 -1.1026 .6761 .3755 .5008 -.4512 7 GLN 7 -1.6601 -1.0871 999.9900 1.3059 .5113 -.2325 .6745 .5141 .5809 .0431 8 LEU 8 .0762 -3.3760 999.9900 999.9900 .9565 -.7811 .6763 .1461 .3670 -.3042 9 GLU 9 -.4269 -2.3808 999.9900 -1.0323 .6899 -.7875 .6785 .5216 .5870 -.3250 10 ILE 10 -.1366 .4202 999.9900 999.9900 .6034 .2957 .6544 .0476 .3004 .3178 11 LYS 11 -.1765 -2.9005 999.9900 .2868 .7460 -.3515 .6816 .1586 .3765 -.1310 12 PHE 12 .0490 -.5318 999.9900 999.9900 .7573 .0915 .6784 .1169 .3509 .2140 13 ARG 13 -.4343 .7037 999.9900 .1593 .8581 .2892 .6755 .5135 .5810 .3765 14 LEU 14 -1.2495 -1.9410 999.9900 999.9900 .9565 -.7447 .6776 .1476 .3684 -.2818 15 THR 15 .4802 999.9900 -.8810 999.9900 .4476 .0156 .6554 -.2625 .1200 .0879 16 ASP 16 .0771 -1.0518 999.9900 999.9900 .8104 -.0548 .6736 .3740 .4988 .1766 17 GLY 17 1.0314 999.9900 999.9900 999.9900 .7883 .9098 .5854 .4742 .5236 .7198 18 SER 18 .1748 999.9900 -.7153 999.9900 .6705 .0433 .6774 .5363 .5951 .2687 19 ASP 19 -1.0681 -3.1847 999.9900 999.9900 .8104 -1.1475 .6814 .3709 .5003 -.4780 20 ILE 20 -.2252 .6122 999.9900 999.9900 .6034 .3301 .6643 .0355 .2975 .3381 21 GLY 21 -1.2645 999.9900 999.9900 999.9900 .7883 -.2381 .3450 .4830 .4216 .0879 22 PRO 22 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5393 -.3564 .0168 .2517 23 LYS 23 -.3414 -2.1617 999.9900 -.0397 .7460 -.3673 .6709 .1614 .3737 -.1434 24 ALA 24 -.8279 999.9900 999.9900 999.9900 .7458 -.0410 .6693 .3193 .4652 .2266 25 PHE 25 -.4973 .0765 999.9900 999.9900 .7573 .1122 .4760 .1188 .2677 .1863 26 PRO 26 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5396 -.3461 .0229 .2657 27 ASP 27 .2994 -.7152 999.9900 999.9900 .8104 .1315 .6719 .3810 .5022 .2895 28 ALA 28 -.5686 999.9900 999.9900 999.9900 .7458 .0886 .6626 .3052 .4541 .2862 29 THR 29 -.2237 999.9900 -.8810 999.9900 .4476 -.2190 .6578 -.2451 .1311 -.0489 30 THR 30 -.2569 999.9900 .2916 999.9900 .4476 .1608 .6549 -.2370 .1346 .1800 31 VAL 31 .1911 999.9900 .3968 999.9900 .7810 .4563 .6529 .1290 .3473 .4302 32 SER 32 .9506 999.9900 -.7153 999.9900 .6705 .3019 .6771 .5332 .5931 .4232 33 ALA 33 .7636 999.9900 999.9900 999.9900 .7458 .7547 .6731 .3199 .4671 .6256 34 LEU 34 1.1349 -3.3760 999.9900 999.9900 .9565 -.4282 .6778 .1458 .3675 -.0922 35 LYS 35 .6751 -.5094 999.9900 .6906 .7460 .4586 .6797 .1640 .3789 .4481 36 GLU 36 .8604 -.7859 999.9900 .3501 .6899 .2786 .6735 .5242 .5864 .3854 37 THR 37 .8449 999.9900 -.2947 999.9900 .4476 .3326 .6539 -.2489 .1273 .2806 38 VAL 38 1.0462 999.9900 .9224 999.9900 .7810 .9165 .6531 .1212 .3428 .7048 39 ILE 39 .2963 .4202 999.9900 999.9900 .6034 .4400 .6625 .0520 .3064 .4069 40 SER 40 .8760 999.9900 -.7153 999.9900 .6705 .2770 .6793 .5383 .5971 .4098 41 GLU 41 .0765 -2.3808 999.9900 -1.0323 .6899 -.6617 .6746 .5146 .5813 -.2429 42 TRP 42 -.2990 .2071 999.9900 999.9900 .9378 .2820 .5019 .1883 .3190 .3072 43 PRO 43 -1.4133 999.9900 999.9900 999.9900 .4496 -.4818 .5437 -.3744 .0081 -.1986 44 ARG 44 .2784 -2.3766 999.9900 .1593 .8581 -.1843 .6781 .5191 .5854 .0394 45 GLU 45 -.1289 .4305 999.9900 -1.0323 .6899 -.0102 .6771 .5178 .5842 .1923 46 LYS 46 -3.5196 -1.8181 999.9900 -.4035 .7460 -1.0797 .6798 .1519 .3718 -.6524 47 GLU 47 -1.0469 -1.0866 999.9900 -1.0323 .6899 -.6190 .6744 .5209 .5849 -.2134 48 ASN 48 .0003 -1.0869 999.9900 999.9900 .7518 -.1116 .6748 .3775 .5014 .1435 49 GLY 49 -1.1938 999.9900 999.9900 999.9900 .7883 -.2028 .3417 .4714 .4138 .1019 50 PRO 50 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5442 -.3641 .0143 .2044 51 LYS 51 -3.0472 -1.0793 999.9900 -.0770 .7460 -.7069 .6786 .1580 .3749 -.3854 52 THR 52 -.3846 999.9900 .2916 999.9900 .4476 .1182 .6565 -.2536 .1256 .1515 53 VAL 53 .1911 999.9900 -1.0788 999.9900 .7810 -.0355 .6502 .1209 .3415 .1329 54 LYS 54 -.4018 -.2304 999.9900 .2868 .7460 .1375 .6723 .1505 .3679 .2157 55 GLU 55 -1.5650 -.3559 999.9900 -1.0323 .6899 -.5658 .6782 .5118 .5812 -.1789 56 VAL 56 -.4002 999.9900 .4980 999.9900 .7810 .2929 .6542 .1285 .3476 .3323 57 LYS 57 -.2512 -1.5020 999.9900 -.0397 .7460 -.2173 .6752 .1416 .3640 -.0385 58 LEU 58 -.0536 -2.5464 999.9900 999.9900 .9565 -.5478 .6796 .1484 .3697 -.1631 59 ILE 59 .3059 -3.0500 999.9900 999.9900 .6034 -.7136 .6608 .0434 .3006 -.2873 60 SER 60 -1.2119 999.9900 -.7153 999.9900 .6705 -.4189 .6797 .5320 .5935 -.0090 61 ALA 61 -1.7824 999.9900 999.9900 999.9900 .7458 -.5183 .6636 .3097 .4571 -.0158 62 GLY 62 .5273 999.9900 999.9900 999.9900 .7883 .6578 .5722 .4560 .5076 .5859 63 LYS 63 -.3099 -2.9005 999.9900 -.0397 .7460 -.5088 .6771 .1542 .3721 -.2447 64 VAL 64 -.5725 999.9900 .7395 999.9900 .7810 .3160 .6557 .1379 .3537 .3483 65 LEU 65 -.2022 -2.9612 999.9900 999.9900 .9565 -.7356 .6752 .1578 .3734 -.2748 66 GLU 66 -.4795 -1.9198 999.9900 .3501 .6899 -.3398 .6749 .5094 .5784 -.0292 67 ASN 67 1.1678 .7181 999.9900 999.9900 .7518 .8792 .6799 .3770 .5032 .7389 68 SER 68 .1178 999.9900 .3727 999.9900 .6705 .3870 .6847 .5337 .5966 .4759 69 LYS 69 -.9723 .0381 999.9900 -.0770 .7460 -.0684 .6730 .1589 .3731 .0700 70 THR 70 -.1684 999.9900 -.8810 999.9900 .4476 -.2006 .6555 -.2472 .1289 -.0387 71 VAL 71 -.2793 999.9900 .5873 999.9900 .7810 .3630 .6523 .1177 .3404 .3718 72 LYS 72 .9480 -2.4344 999.9900 -.4035 .7460 -.3095 .6743 .1500 .3685 -.1033 73 ASP 73 .2251 -3.1847 999.9900 999.9900 .8104 -.7164 .6796 .3865 .5087 -.2166 74 TYR 74 -1.4375 .4830 999.9900 999.9900 .5630 -.1305 .6694 -.1788 .1746 .0198 75 ARG 75 -2.9267 -1.4154 999.9900 .1593 .8581 -.6331 .6821 .5167 .5856 -.2809 76 SER 76 -.0163 999.9900 -.7153 999.9900 .6705 -.0204 .4749 .5404 .5131 .1908 77 PRO 77 -3.8843 999.9900 999.9900 999.9900 .4496 -1.7173 .5266 -.3875 -.0066 -.8239 78 VAL 78 -2.5638 999.9900 -.5532 999.9900 .7810 -.7786 .6597 .1358 .3541 -.3081 79 SER 79 -3.7598 999.9900 -.7153 999.9900 .6705 -1.2682 .6709 .5341 .5911 -.5199 80 ASN 80 -1.1452 -.7217 999.9900 999.9900 .7518 -.3717 .6665 .3813 .5002 -.0134 81 LEU 81 -3.7702 -3.3760 999.9900 999.9900 .9565 -2.0632 .6775 .1557 .3731 -1.0713 82 ALA 82 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6698 .3090 .4594 -.4350 83 GLY 83 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5871 .4818 .5286 -.4073 84 ALA 84 -1.1160 999.9900 999.9900 999.9900 .7458 -.1851 .6662 .3133 .4603 .1523 85 VAL 85 -.7345 999.9900 .5873 999.9900 .7810 .2113 .6619 .1187 .3450 .2829 86 THR 86 .4874 999.9900 -.8810 999.9900 .4476 .0180 .6551 -.2509 .1266 .0916 87 THR 87 .1734 999.9900 .6346 999.9900 .4476 .4185 .6601 -.2630 .1216 .3305 88 MET 88 -.3657 -2.5481 999.9900 .9587 .5203 -.3587 .6809 .5271 .5912 -.0378 89 HIS 89 -.2681 -2.4183 999.9900 999.9900 .6686 -.6726 .6766 .3323 .4758 -.2018 90 VAL 90 -.6656 999.9900 -1.0788 999.9900 .7810 -.3211 .6544 .1293 .3481 -.0359 91 ILE 91 -.5593 -2.4201 999.9900 999.9900 .6034 -.7920 .6636 .0534 .3077 -.3318 92 ILE 92 -.1621 -3.0500 999.9900 999.9900 .6034 -.8696 .6600 .0435 .3004 -.3810 93 GLN 93 -1.6601 -1.4944 999.9900 1.3059 .5113 -.3343 .6803 .5196 .5865 -.0229 94 ALA 94 -.9610 999.9900 999.9900 999.9900 .7458 -.1076 .4732 .3129 .3797 .1427 95 PRO 95 -.2966 999.9900 999.9900 999.9900 .4496 .0765 .5400 -.3646 .0123 .0821 96 VAL 96 -1.1433 999.9900 .3968 999.9900 .7810 .0115 .6611 .1160 .3431 .1623 97 THR 97 -.4672 999.9900 -.8810 999.9900 .4476 -.3002 .6534 -.2719 .1136 -.1038 98 GLU 98 -3.2255 -1.6501 999.9900 -1.0323 .6899 -1.3045 .6773 .5170 .5838 -.6706 99 LYS 99 -3.5196 -1.6955 999.9900 -.0397 .7460 -.9097 .6779 .1580 .3746 -.5304 100 GLU 100 -1.0469 -1.9198 999.9900 -1.0323 .6899 -.8273 .6781 .5171 .5842 -.3523 101 LYS 101 999.9900 -1.3520 999.9900 -.4035 999.9900 -.7197 .6763 -.0288 .2734 -.3023 Means: -.6568 -1.4376 -.2616 -.0413 .6979 -.2560 .6471 .2058 .3904 .0060 2.00 analyzed_20