1 GLU 1 999.9900 -1.7714 999.9900 -1.0323 .6899 -.7046 .6743 .5093 .5843 -.1860 2 ALA 2 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6711 .3189 .4656 -.4322 3 GLU 3 -2.0601 -.8834 999.9900 .3501 .6899 -.4759 .6771 .5171 .5838 -.1182 4 VAL 4 -.0582 999.9900 .2799 999.9900 .7810 .3342 .6542 .1220 .3438 .3558 5 HIS 5 -.3815 -3.1083 999.9900 999.9900 .6686 -.9404 .6722 .3202 .4669 -.3658 6 ASN 6 -3.4329 -1.7113 999.9900 999.9900 .7518 -1.4641 .6817 .3812 .5064 -.6659 7 GLN 7 -1.5899 -1.9601 999.9900 1.3059 .5113 -.4332 .6786 .5264 .5898 -.0880 8 LEU 8 -.0411 -2.5464 999.9900 999.9900 .9565 -.5437 .6804 .1672 .3811 -.1567 9 GLU 9 -.4497 -2.8418 999.9900 -1.0323 .6899 -.9085 .6759 .5329 .5925 -.4042 10 ILE 10 -.1366 -1.8577 999.9900 999.9900 .6034 -.4636 .6593 .0350 .2951 -.1393 11 LYS 11 -.1919 -2.4344 999.9900 -.4035 .7460 -.5374 .6798 .1567 .3747 -.2644 12 PHE 12 -.0721 -1.0405 999.9900 999.9900 .7573 -.1184 .6761 .0956 .3375 .0833 13 ARG 13 -.5160 -2.8571 999.9900 .1593 .8581 -.4393 .6840 .5277 .5928 -.1407 14 LEU 14 -1.6816 -2.4128 999.9900 999.9900 .9565 -1.0460 .6735 .1491 .3676 -.4631 15 THR 15 .4802 999.9900 -.8810 999.9900 .4476 .0156 .6571 -.2724 .1149 .0863 16 ASP 16 .0771 -3.7306 999.9900 999.9900 .8104 -.9477 .6736 .3783 .5014 -.3582 17 GLY 17 .6263 999.9900 999.9900 999.9900 .7883 .7073 .5846 .4759 .5242 .6188 18 SER 18 .0135 999.9900 -.7153 999.9900 .6705 -.0104 .6766 .5366 .5949 .2364 19 ASP 19 -.9509 -2.8653 999.9900 999.9900 .8104 -1.0019 .6740 .3795 .5022 -.3905 20 ILE 20 .0813 .6227 999.9900 999.9900 .6034 .4358 .6554 .0382 .2954 .4002 21 GLY 21 -1.5291 999.9900 999.9900 999.9900 .7883 -.3704 .3693 .4736 .4272 .0255 22 PRO 22 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5444 -.3833 .0032 .2463 23 LYS 23 -.2799 -1.9682 999.9900 -.4035 .7460 -.4618 .6754 .1528 .3705 -.2116 24 ALA 24 -.8279 999.9900 999.9900 999.9900 .7458 -.0410 .6671 .3178 .4634 .2257 25 PHE 25 -.4973 -1.1403 999.9900 999.9900 .7573 -.2934 .4868 .1027 .2627 -.0582 26 PRO 26 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5408 -.3703 .0094 .2600 27 ASP 27 .1149 -.9533 999.9900 999.9900 .8104 -.0093 .6827 .3828 .5077 .2075 28 ALA 28 -.5686 999.9900 999.9900 999.9900 .7458 .0886 .6646 .3249 .4665 .2917 29 THR 29 -.2237 999.9900 -.8810 999.9900 .4476 -.2190 .6569 -.2466 .1299 -.0494 30 THR 30 -.4146 999.9900 .2916 999.9900 .4476 .1082 .6531 -.2329 .1362 .1489 31 VAL 31 -.8511 999.9900 .1416 999.9900 .7810 .0239 .6566 .1300 .3494 .1716 32 SER 32 .7360 999.9900 -.7153 999.9900 .6705 .2304 .6786 .5355 .5951 .3811 33 ALA 33 .3637 999.9900 999.9900 999.9900 .7458 .5548 .6613 .3211 .4628 .5230 34 LEU 34 .8786 -3.3760 999.9900 999.9900 .9565 -.5136 .6709 .1521 .3683 -.1436 35 LYS 35 .8536 -.6840 999.9900 .1140 .7460 .2287 .6770 .1709 .3818 .2845 36 GLU 36 1.0761 -1.2470 999.9900 -1.0323 .6899 -.1283 .6732 .5245 .5865 .1141 37 THR 37 .8449 999.9900 -.8810 999.9900 .4476 .1372 .6485 -.2518 .1233 .1616 38 VAL 38 .5660 999.9900 .7395 999.9900 .7810 .6955 .6595 .1211 .3454 .5734 39 ILE 39 .6852 -1.3043 999.9900 999.9900 .6034 -.0052 .6599 .0514 .3049 .1391 40 SER 40 .8760 999.9900 -.7153 999.9900 .6705 .2770 .6757 .5349 .5936 .4083 41 GLU 41 -.9196 -1.9198 999.9900 -1.0323 .6899 -.7955 .6765 .5226 .5867 -.3305 42 TRP 42 -.2716 .2071 999.9900 999.9900 .9378 .2911 .4852 .1897 .3128 .3096 43 PRO 43 -.5949 999.9900 999.9900 999.9900 .4496 -.0726 .5357 -.3756 .0041 .0037 44 ARG 44 .2784 -.9796 999.9900 .1593 .8581 .0951 .6749 .5191 .5840 .2385 45 GLU 45 -.1289 -.8834 999.9900 -1.0323 .6899 -.3387 .6794 .5226 .5879 -.0255 46 LYS 46 -3.5196 -1.9682 999.9900 -.4035 .7460 -1.1098 .6747 .1637 .3766 -.6729 47 GLU 47 -1.1136 -2.8418 999.9900 1.1588 .6899 -.5267 .6774 .5161 .5833 -.1522 48 ASN 48 -1.1452 -.7217 999.9900 999.9900 .7518 -.3717 .6767 .3852 .5067 -.0106 49 GLY 49 -.3460 999.9900 999.9900 999.9900 .7883 .2211 .3587 .4771 .4245 .3195 50 PRO 50 -1.1662 999.9900 999.9900 999.9900 .4496 -.3583 .5368 -.3767 .0039 -.1391 51 LYS 51 -3.5196 -1.3520 999.9900 -.4035 .7460 -.9865 .6821 .1566 .3756 -.5848 52 THR 52 .2328 999.9900 -.8810 999.9900 .4476 -.0669 .6558 -.2728 .1141 .0365 53 VAL 53 .5660 999.9900 .8055 999.9900 .7810 .7175 .6636 .1311 .3530 .5894 54 LYS 54 .1686 -.5289 999.9900 .6906 .7460 .3534 .6739 .1500 .3683 .3701 55 GLU 55 -2.8104 -1.5476 999.9900 -1.0323 .6899 -1.1751 .6691 .5143 .5788 -.5862 56 VAL 56 .0429 999.9900 -1.0788 999.9900 .7810 -.0849 .6583 .1239 .3466 .1055 57 LYS 57 -.2075 -.3256 999.9900 .4405 .7460 .2188 .6752 .1440 .3653 .2733 58 LEU 58 -.2443 -2.9612 999.9900 999.9900 .9565 -.7497 .6797 .1641 .3790 -.2810 59 ILE 59 .1962 -3.0500 999.9900 999.9900 .6034 -.7501 .6546 .0464 .2998 -.3099 60 SER 60 -.7180 999.9900 -.7153 999.9900 .6705 -.2543 .6753 .5247 .5875 .0874 61 ALA 61 -1.7531 999.9900 999.9900 999.9900 .7458 -.5036 .6614 .3170 .4605 -.0072 62 GLY 62 .6407 999.9900 999.9900 999.9900 .7883 .7145 .5868 .4753 .5248 .6228 63 LYS 63 -.2455 -1.8181 999.9900 .6506 .7460 -.0033 .6755 .1614 .3756 .1172 64 VAL 64 -.4485 999.9900 -1.0788 999.9900 .7810 -.2487 .6612 .1370 .3554 .0104 65 LEU 65 -.1596 -1.3818 999.9900 999.9900 .9565 -.1950 .6765 .1532 .3712 .0489 66 GLU 66 -.4615 -1.1891 999.9900 -1.0323 .6899 -.4982 .6763 .5173 .5836 -.1332 67 ASN 67 .6639 -1.7113 999.9900 999.9900 .7518 -.0985 .6759 .3818 .5043 .1524 68 SER 68 .1386 999.9900 -.7153 999.9900 .6705 .0313 .6710 .5299 .5887 .2589 69 LYS 69 -.8010 -.4721 999.9900 .5131 .7460 .0999 .6721 .1550 .3704 .1895 70 THR 70 -.7465 999.9900 -.8810 999.9900 .4476 -.3933 .6605 -.2456 .1320 -.1530 71 VAL 71 .3707 999.9900 -.5532 999.9900 .7810 .1995 .6617 .1330 .3533 .2786 72 LYS 72 .6751 -1.5020 999.9900 -.4035 .7460 -.1776 .6757 .1516 .3700 -.0087 73 ASP 73 .2251 -2.0928 999.9900 999.9900 .8104 -.3524 .6773 .3776 .5025 -.0005 74 TYR 74 -.4658 -4.1972 999.9900 999.9900 .5630 -1.3667 .6774 -.1724 .1817 -.7190 75 ARG 75 -.8806 -1.7413 999.9900 1.0005 .8581 .0475 .6724 .5144 .5802 .2034 76 SER 76 -.5255 999.9900 -.7153 999.9900 .6705 -.1901 .4866 .5307 .5123 .0894 77 PRO 77 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5365 -.3621 .0123 .1590 78 VAL 78 -2.3613 999.9900 -1.0788 999.9900 .7810 -.8863 .6557 .1257 .3465 -.3755 79 SER 79 -3.7598 999.9900 -.7153 999.9900 .6705 -1.2682 .6765 .5229 .5869 -.5210 80 ASN 80 -.9320 -1.7113 999.9900 999.9900 .7518 -.6305 .6828 .3912 .5127 -.1635 81 LEU 81 -3.7702 -3.3760 999.9900 999.9900 .9565 -2.0632 .6675 .1561 .3691 -1.0732 82 ALA 82 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6704 .3209 .4665 -.4319 83 GLY 83 -1.5291 999.9900 999.9900 999.9900 .7883 -.3704 .5806 .4739 .5213 .0784 84 ALA 84 -1.7824 999.9900 999.9900 999.9900 .7458 -.5183 .6706 .3180 .4649 -.0120 85 VAL 85 -.6656 999.9900 .4980 999.9900 .7810 .2045 .6612 .1248 .3483 .2799 86 THR 86 .0102 999.9900 -.8810 999.9900 .4476 -.1411 .6552 -.2538 .1250 -.0044 87 THR 87 .0164 999.9900 .6346 999.9900 .4476 .3662 .6565 -.2457 .1302 .3019 88 MET 88 -.3503 -2.0676 999.9900 .9587 .5203 -.2347 .6764 .5262 .5888 .0440 89 HIS 89 -.4783 -2.4183 999.9900 999.9900 .6686 -.7427 .6809 .3279 .4750 -.2438 90 VAL 90 .3116 999.9900 .6672 999.9900 .7810 .5866 .6522 .1321 .3488 .5088 91 ILE 91 .0187 -3.0500 999.9900 999.9900 .6034 -.8093 .6556 .0317 .2917 -.3481 92 ILE 92 -.4647 -3.0500 999.9900 999.9900 .6034 -.9704 .6599 .0538 .3063 -.4395 93 GLN 93 -1.2769 -1.3908 999.9900 1.3059 .5113 -.2126 .6783 .5367 .5957 .0608 94 ALA 94 -.8335 999.9900 999.9900 999.9900 .7458 -.0439 .4606 .3214 .3794 .1736 95 PRO 95 -.2966 999.9900 999.9900 999.9900 .4496 .0765 .5537 -.3682 .0159 .0846 96 VAL 96 -.4842 999.9900 .8055 999.9900 .7810 .3675 .6650 .1154 .3444 .3766 97 THR 97 -.4564 999.9900 .0483 999.9900 .4476 .0132 .6570 -.2755 .1130 .0842 98 GLU 98 -3.2255 -1.9198 999.9900 -1.0323 .6899 -1.3719 .6792 .5199 .5863 -.7148 99 LYS 99 -3.5196 -.8530 999.9900 .6906 .7460 -.4491 .6727 .1496 .3675 -.2033 100 GLU 100 -3.2255 -.7281 999.9900 -1.0323 .6899 -1.0740 .6767 .5099 .5794 -.5182 101 LYS 101 999.9900 -1.8181 999.9900 .1731 999.9900 -.4907 .6809 -.0306 .2743 -.1643 Means: -.6329 -1.8079 -.3397 .0213 .6979 -.3093 .6475 .2064 .3908 -.0268 2.00 analyzed_5