1 GLU 1 999.9900 -1.7714 999.9900 1.7325 .6899 .2170 .6752 .5145 .5875 .3681 2 ALA 2 -1.6032 999.9900 999.9900 999.9900 .7458 -.4287 .6718 .3159 .4642 .0326 3 GLU 3 -2.3953 -1.9198 999.9900 -1.0323 .6899 -1.1644 .6757 .5200 .5849 -.5770 4 VAL 4 -1.6661 999.9900 -.5532 999.9900 .7810 -.4794 .6569 .1237 .3459 -.1315 5 HIS 5 -.6701 -3.1083 999.9900 999.9900 .6686 -1.0366 .6762 .3282 .4732 -.4211 6 ASN 6 -1.5699 -1.5725 999.9900 999.9900 .7518 -.7968 .6780 .3747 .5011 -.2676 7 GLN 7 -2.2003 -1.6169 999.9900 1.3059 .5113 -.5000 .6819 .5248 .5902 -.1322 8 LEU 8 -.0766 -1.0593 999.9900 999.9900 .9565 -.0598 .6728 .1518 .3689 .1291 9 GLU 9 -.4497 -1.3104 999.9900 -1.0323 .6899 -.5256 .6802 .5170 .5850 -.1509 10 ILE 10 .1962 .4983 999.9900 999.9900 .6034 .4326 .6618 .0466 .3029 .4013 11 LYS 11 -.1765 -2.9005 999.9900 -.4035 .7460 -.6276 .6793 .1670 .3804 -.3274 12 PHE 12 -.0400 -1.0405 999.9900 999.9900 .7573 -.1077 .6754 .1172 .3498 .0939 13 ARG 13 -.4343 .4622 999.9900 .1593 .8581 .2409 .6759 .5168 .5831 .3425 14 LEU 14 -.6213 -2.9612 999.9900 999.9900 .9565 -.8753 .6819 .1528 .3733 -.3583 15 THR 15 .1314 999.9900 -.8810 999.9900 .4476 -.1007 .6539 -.2628 .1192 .0178 16 ASP 16 .0771 -2.0001 999.9900 999.9900 .8104 -.3709 .6794 .3865 .5085 -.0094 17 GLY 17 1.1139 999.9900 999.9900 999.9900 .7883 .9511 .5855 .4753 .5243 .7407 18 SER 18 -.1309 999.9900 -.7153 999.9900 .6705 -.0586 .6721 .5263 .5870 .2045 19 ASP 19 -.9509 -2.3194 999.9900 999.9900 .8104 -.8200 .6829 .3852 .5092 -.2784 20 ILE 20 .2593 .8237 999.9900 999.9900 .6034 .5621 .6516 .0399 .2948 .4756 21 GLY 21 -1.2645 999.9900 999.9900 999.9900 .7883 -.2381 .3450 .4700 .4144 .0847 22 PRO 22 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5375 -.3650 .0110 .2491 23 LYS 23 -.2799 -2.9005 999.9900 -.4035 .7460 -.6483 .6774 .1587 .3748 -.3436 24 ALA 24 -.7342 999.9900 999.9900 999.9900 .7458 .0058 .6710 .3151 .4634 .2494 25 PHE 25 -.8057 .0765 999.9900 999.9900 .7573 .0094 .4866 .1024 .2625 .1234 26 PRO 26 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5384 -.3695 .0088 .2596 27 ASP 27 .2994 -2.0928 999.9900 999.9900 .8104 -.3277 .6748 .3741 .4994 .0132 28 ALA 28 -.8750 999.9900 999.9900 999.9900 .7458 -.0646 .6713 .3250 .4693 .2168 29 THR 29 -.2237 999.9900 -.8810 999.9900 .4476 -.2190 .6511 -.2435 .1292 -.0499 30 THR 30 -.2075 999.9900 -.2947 999.9900 .4476 -.0182 .6639 -.2521 .1296 .0714 31 VAL 31 -.6460 999.9900 .7395 999.9900 .7810 .2915 .6554 .1187 .3424 .3297 32 SER 32 .7360 999.9900 -.7153 999.9900 .6705 .2304 .6761 .5381 .5956 .3811 33 ALA 33 .8001 999.9900 999.9900 999.9900 .7458 .7729 .6658 .3260 .4676 .6344 34 LEU 34 .9913 -3.3760 999.9900 999.9900 .9565 -.4761 .6705 .1431 .3629 -.1229 35 LYS 35 .6751 -.0150 999.9900 -.0770 .7460 .2504 .6809 .1429 .3670 .2965 36 GLU 36 .8604 -.5367 999.9900 -1.0323 .6899 -.0047 .6787 .5232 .5880 .1972 37 THR 37 1.2375 999.9900 -.8810 999.9900 .4476 .2680 .6575 -.2483 .1291 .2426 38 VAL 38 1.0462 999.9900 -1.0788 999.9900 .7810 .2495 .6616 .1314 .3523 .3083 39 ILE 39 1.0115 .4983 999.9900 999.9900 .6034 .7044 .6558 .0550 .3053 .5648 40 SER 40 .8651 999.9900 -.7153 999.9900 .6705 .2734 .6706 .5206 .5831 .4023 41 GLU 41 -1.1499 -2.1111 999.9900 .3501 .6899 -.5552 .6825 .5269 .5917 -.1686 42 TRP 42 .1017 -.5700 999.9900 999.9900 .9378 .1565 .4982 .1929 .3201 .2321 43 PRO 43 -.5949 999.9900 999.9900 999.9900 .4496 -.0726 .5464 -.3706 .0115 .0076 44 ARG 44 .2784 -1.7413 999.9900 .1593 .8581 -.0572 .6795 .5197 .5863 .1304 45 GLU 45 .3258 -.5796 999.9900 -1.0323 .6899 -.1491 .6750 .5226 .5861 .1002 46 LYS 46 -3.5196 -2.9005 999.9900 .6506 .7460 -.8746 .6790 .1603 .3764 -.5048 47 GLU 47 -3.2255 -.7564 999.9900 -1.0323 .6899 -1.0811 .6822 .5219 .5887 -.5200 48 ASN 48 -2.3558 -1.5725 999.9900 999.9900 .7518 -1.0588 .6778 .3917 .5109 -.4214 49 GLY 49 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .3485 .4698 .4159 -.4700 50 PRO 50 -2.2417 999.9900 999.9900 999.9900 .4496 -.8960 .5393 -.3640 .0124 -.4042 51 LYS 51 -3.5196 -.7918 999.9900 -.4035 .7460 -.8745 .6763 .1510 .3699 -.5064 52 THR 52 .2328 999.9900 .6346 999.9900 .4476 .4383 .6537 -.2598 .1208 .3418 53 VAL 53 -.8511 999.9900 -1.0788 999.9900 .7810 -.3829 .6536 .1211 .3429 -.0748 54 LYS 54 -.4018 -2.4344 999.9900 -.4035 .7460 -.5794 .6803 .1567 .3749 -.2943 55 GLU 55 -1.4314 -2.1111 999.9900 -1.0323 .6899 -.9712 .6737 .5145 .5808 -.4495 56 VAL 56 .0429 999.9900 .3968 999.9900 .7810 .4069 .6505 .1249 .3439 .3992 57 LYS 57 -.3038 -1.5918 999.9900 -.0397 .7460 -.2458 .6746 .1614 .3753 -.0562 58 LEU 58 -.2443 -3.3760 999.9900 999.9900 .9565 -.8879 .6769 .1721 .3824 -.3630 59 ILE 59 -.1241 .8809 999.9900 999.9900 .6034 .4534 .6596 .0428 .2998 .4125 60 SER 60 -1.2119 999.9900 -.7153 999.9900 .6705 -.4189 .6725 .5368 .5934 -.0095 61 ALA 61 -1.7824 999.9900 999.9900 999.9900 .7458 -.5183 .6630 .3131 .4589 -.0151 62 GLY 62 .1572 999.9900 999.9900 999.9900 .7883 .4727 .5880 .4785 .5271 .5030 63 LYS 63 -.3099 -1.9682 999.9900 -.4035 .7460 -.4678 .6760 .1701 .3809 -.2133 64 VAL 64 -.4485 999.9900 .7395 999.9900 .7810 .3573 .6571 .1262 .3474 .3711 65 LEU 65 -.3075 -2.9612 999.9900 999.9900 .9565 -.7707 .6784 .1639 .3783 -.2940 66 GLU 66 -.6811 -.9194 999.9900 -1.0323 .6899 -.4857 .6774 .5169 .5838 -.1248 67 ASN 67 .6639 -2.0766 999.9900 999.9900 .7518 -.2203 .6801 .3915 .5118 .0822 68 SER 68 -2.0349 999.9900 -.7153 999.9900 .6705 -.6932 .6801 .5414 .5992 -.1717 69 LYS 69 -.8010 -.5910 999.9900 -.4035 .7460 -.2906 .6746 .1544 .3712 -.0891 70 THR 70 -.1684 999.9900 -.8810 999.9900 .4476 -.2006 .6606 -.2643 .1211 -.0411 71 VAL 71 .5646 999.9900 .2799 999.9900 .7810 .5418 .6625 .1192 .3456 .4814 72 LYS 72 .6780 .7597 999.9900 -.0770 .7460 .4059 .6746 .1608 .3749 .4093 73 ASP 73 .2251 -2.3194 999.9900 999.9900 .8104 -.4280 .6794 .3837 .5069 -.0442 74 TYR 74 -1.2852 -3.5861 999.9900 999.9900 .5630 -1.4361 .6801 -.1750 .1813 -.7606 75 ARG 75 -1.5415 -2.8571 999.9900 .1593 .8581 -.6444 .6740 .5149 .5812 -.2904 76 SER 76 -.0163 999.9900 -.7153 999.9900 .6705 -.0204 .4826 .5314 .5111 .1906 77 PRO 77 -5.1268 999.9900 999.9900 999.9900 .4496 -2.3386 .5559 -.3750 .0129 -1.1241 78 VAL 78 -1.7692 999.9900 -1.0788 999.9900 .7810 -.6890 .6565 .1199 .3435 -.2581 79 SER 79 -1.8983 999.9900 -.7153 999.9900 .6705 -.6477 .6775 .5340 .5938 -.1463 80 ASN 80 -.3054 .0628 999.9900 999.9900 .7518 .1697 .6826 .3900 .5120 .3164 81 LEU 81 -3.7702 -2.2115 999.9900 999.9900 .9565 -1.6750 .6790 .1580 .3751 -.8376 82 ALA 82 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6669 .3128 .4603 -.4348 83 GLY 83 -2.9723 999.9900 999.9900 999.9900 .7883 -1.0920 .5781 .4710 .5186 -.2837 84 ALA 84 -.2213 999.9900 999.9900 999.9900 .7458 .2622 .6673 .3228 .4663 .3786 85 VAL 85 -.7345 999.9900 .8662 999.9900 .7810 .3042 .6572 .1168 .3420 .3373 86 THR 86 .2423 999.9900 -.8810 999.9900 .4476 -.0637 .6581 -.2274 .1416 .0479 87 THR 87 .2423 999.9900 .7650 999.9900 .4476 .4850 .6592 -.2394 .1350 .3749 88 MET 88 -.3503 -1.3058 999.9900 .9587 .5203 -.0443 .6742 .5175 .5828 .1691 89 HIS 89 -.8113 -.6348 999.9900 999.9900 .6686 -.2591 .6757 .3317 .4750 .0460 90 VAL 90 -.5494 999.9900 .7395 999.9900 .7810 .3237 .6602 .1171 .3434 .3497 91 ILE 91 -.2113 -2.2551 999.9900 999.9900 .6034 -.6210 .6602 .0440 .3007 -.2318 92 ILE 92 .5210 -.6139 999.9900 999.9900 .6034 .1701 .6567 .0361 .2947 .2406 93 GLN 93 -.7947 -1.3011 999.9900 1.3059 .5113 -.0696 .6742 .5310 .5907 .1544 94 ALA 94 -.9610 999.9900 999.9900 999.9900 .7458 -.1076 .4857 .3168 .3872 .1468 95 PRO 95 -.2966 999.9900 999.9900 999.9900 .4496 .0765 .5419 -.3735 .0079 .0803 96 VAL 96 -2.5638 999.9900 -1.0788 999.9900 .7810 -.9538 .6630 .1158 .3438 -.4166 97 THR 97 -4.2065 999.9900 -.2947 999.9900 .4476 -1.3512 .6565 -.2645 .1192 -.7323 98 GLU 98 -3.2255 -2.8418 999.9900 1.1588 .6899 -1.0547 .6695 .5136 .5786 -.5059 99 LYS 99 -1.4447 -2.1617 999.9900 -.4035 .7460 -.7335 .6802 .1515 .3718 -.4051 100 GLU 100 -3.2255 -2.8418 999.9900 -1.0323 .6899 -1.6024 .6743 .5251 .5873 -.8684 101 LYS 101 999.9900 -1.9682 999.9900 -.4035 999.9900 -.9251 .6738 -.0482 .2612 -.4299 Means: -.7636 -1.5344 -.3596 -.1371 .6979 -.3259 .6481 .2068 .3913 -.0368 2.00 analyzed_11