1 GLU 1 999.9900 -1.4588 999.9900 -1.0323 .6899 -.6004 .6741 .5158 .5877 -.1223 2 ALA 2 -3.0686 999.9900 999.9900 999.9900 .7458 -1.1614 .6662 .3215 .4651 -.3338 3 GLU 3 -3.2255 -1.9198 999.9900 -1.0323 .6899 -1.3719 .6721 .5203 .5836 -.7159 4 VAL 4 -2.2509 999.9900 -1.0788 999.9900 .7810 -.8495 .6593 .1238 .3469 -.3531 5 HIS 5 -.0587 .0128 999.9900 999.9900 .6686 .2076 .6769 .3217 .4697 .3243 6 ASN 6 -.5289 -1.0148 999.9900 999.9900 .7518 -.2640 .6731 .3776 .5007 .0518 7 GLN 7 -1.6601 -1.1512 999.9900 2.7911 .5113 .1228 .6788 .5238 .5884 .2823 8 LEU 8 -.0766 -2.9612 999.9900 999.9900 .9565 -.6937 .6736 .1531 .3699 -.2509 9 GLU 9 -.4497 -2.8418 999.9900 -1.0323 .6899 -.9085 .6725 .5186 .5827 -.4072 10 ILE 10 -.1366 .2838 999.9900 999.9900 .6034 .2502 .6595 .0525 .3054 .2925 11 LYS 11 -.2345 -2.9005 999.9900 .2868 .7460 -.3631 .6750 .1512 .3694 -.1413 12 PHE 12 .0900 -.5318 999.9900 999.9900 .7573 .1052 .6737 .1005 .3393 .2179 13 ARG 13 -.5160 -.1877 999.9900 .6901 .8581 .3069 .6748 .5158 .5821 .3893 14 LEU 14 -2.0617 -3.3760 999.9900 999.9900 .9565 -1.4937 .6743 .1478 .3672 -.7318 15 THR 15 .4802 999.9900 -.8810 999.9900 .4476 .0156 .6573 -.2592 .1227 .0890 16 ASP 16 .0771 -2.6388 999.9900 999.9900 .8104 -.5838 .6791 .3824 .5060 -.1380 17 GLY 17 .8709 999.9900 999.9900 999.9900 .7883 .8296 .5730 .4586 .5094 .6727 18 SER 18 .2494 999.9900 -.7153 999.9900 .6705 .0682 .6803 .5325 .5940 .2835 19 ASP 19 -1.5723 -2.8653 999.9900 999.9900 .8104 -1.2091 .6754 .3827 .5046 -.5138 20 ILE 20 .0813 -3.0500 999.9900 999.9900 .6034 -.7884 .6595 .0391 .2976 -.3333 21 GLY 21 -1.2645 999.9900 999.9900 999.9900 .7883 -.2381 .3546 .4612 .4138 .0849 22 PRO 22 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5443 -.3727 .0094 .2489 23 LYS 23 -.2799 -1.6955 999.9900 .1731 .7460 -.1767 .6791 .1560 .3740 -.0069 24 ALA 24 -.7342 999.9900 999.9900 999.9900 .7458 .0058 .6723 .3241 .4692 .2520 25 PHE 25 -.8057 .0765 999.9900 999.9900 .7573 .0094 .4954 .0911 .2596 .1229 26 PRO 26 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5461 -.3742 .0093 .2603 27 ASP 27 .2994 -1.6521 999.9900 999.9900 .8104 -.1808 .6778 .3787 .5034 .1028 28 ALA 28 -.8750 999.9900 999.9900 999.9900 .7458 -.0646 .6607 .3138 .4583 .2113 29 THR 29 -.2237 999.9900 -.8810 999.9900 .4476 -.2190 .6595 -.2697 .1175 -.0535 30 THR 30 -.6210 999.9900 -.2947 999.9900 .4476 -.1561 .6530 -.2512 .1256 -.0133 31 VAL 31 -.8511 999.9900 .6672 999.9900 .7810 .1991 .6610 .1155 .3428 .2747 32 SER 32 .9506 999.9900 -.7153 999.9900 .6705 .3019 .6711 .5272 .5872 .4208 33 ALA 33 .5364 999.9900 999.9900 999.9900 .7458 .6411 .6736 .3223 .4686 .5695 34 LEU 34 .9913 -3.3760 999.9900 999.9900 .9565 -.4761 .6729 .1629 .3754 -.1185 35 LYS 35 .6780 -1.9682 999.9900 -.4035 .7460 -.2702 .6755 .1597 .3746 -.0737 36 GLU 36 .8733 -.5367 999.9900 -1.0323 .6899 -.0015 .6769 .5223 .5867 .1989 37 THR 37 -.0953 999.9900 -.8810 999.9900 .4476 -.1762 .6592 -.2575 .1245 -.0254 38 VAL 38 1.0462 999.9900 -1.0788 999.9900 .7810 .2495 .6540 .1260 .3460 .3057 39 ILE 39 1.0115 .8809 999.9900 999.9900 .6034 .8319 .6523 .0365 .2931 .6369 40 SER 40 .7489 999.9900 -.7153 999.9900 .6705 .2347 .6728 .5232 .5855 .3800 41 GLU 41 -.6897 -1.9198 999.9900 .3501 .6899 -.3924 .6735 .5118 .5791 -.0640 42 TRP 42 -.0620 -.3018 999.9900 999.9900 .9378 .1913 .4926 .1890 .3155 .2511 43 PRO 43 -2.3165 999.9900 999.9900 999.9900 .4496 -.9334 .5494 -.3586 .0198 -.4190 44 ARG 44 .3315 -2.8571 999.9900 1.0856 .8581 .1007 .6753 .5174 .5832 .2423 45 GLU 45 .6833 -1.7714 999.9900 .3501 .6899 -.0120 .6820 .5256 .5907 .1932 46 LYS 46 -3.5196 -2.1617 999.9900 .1731 .7460 -.9178 .6778 .1576 .3743 -.5363 47 GLU 47 -1.0469 -.2670 999.9900 -1.0323 .6899 -.4141 .6840 .5223 .5897 -.0750 48 ASN 48 -.9968 -.4258 999.9900 999.9900 .7518 -.2236 .6712 .3757 .4988 .0752 49 GLY 49 -.7504 999.9900 999.9900 999.9900 .7883 .0189 .3548 .4748 .4215 .2169 50 PRO 50 -1.1662 999.9900 999.9900 999.9900 .4496 -.3583 .5439 -.3671 .0125 -.1349 51 LYS 51 -3.5196 -1.9682 999.9900 -.4035 .7460 -1.1098 .6832 .1629 .3797 -.6718 52 THR 52 -.3846 999.9900 -.2947 999.9900 .4476 -.0772 .6605 -.2777 .1132 .0302 53 VAL 53 .9834 999.9900 -1.0788 999.9900 .7810 .2286 .6504 .1214 .3418 .2915 54 LYS 54 -.4018 -.9566 999.9900 -.4035 .7460 -.2839 .6787 .1674 .3804 -.0819 55 GLU 55 -.6726 .3748 999.9900 -1.0323 .6899 -.1600 .6741 .5202 .5843 .0924 56 VAL 56 .1158 999.9900 .4980 999.9900 .7810 .4649 .6602 .1258 .3484 .4362 57 LYS 57 -.3286 -2.9005 999.9900 -.4035 .7460 -.6580 .6817 .1651 .3804 -.3490 58 LEU 58 -.0536 -1.9410 999.9900 999.9900 .9565 -.3460 .6782 .1515 .3709 -.0417 59 ILE 59 .3408 .8778 999.9900 999.9900 .6034 .6073 .6638 .0383 .2989 .5048 60 SER 60 -1.1635 999.9900 -.7153 999.9900 .6705 -.4028 .6710 .5230 .5847 -.0029 61 ALA 61 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6639 .3176 .4619 -.4343 62 GLY 62 .8874 999.9900 999.9900 999.9900 .7883 .8378 .5755 .4589 .5107 .6775 63 LYS 63 -.2023 -1.5918 999.9900 -.4035 .7460 -.3710 .6767 .1560 .3729 -.1461 64 VAL 64 -.5725 999.9900 -1.0788 999.9900 .7810 -.2901 .6541 .1236 .3447 -.0185 65 LEU 65 -.6213 -3.3760 999.9900 999.9900 .9565 -1.0136 .6788 .1592 .3757 -.4406 66 GLU 66 -.3633 -1.9198 999.9900 -1.0323 .6899 -.6564 .6706 .5251 .5857 -.2383 67 ASN 67 .6639 -2.0766 999.9900 999.9900 .7518 -.2203 .6728 .3824 .5034 .0789 68 SER 68 .5661 999.9900 -.7153 999.9900 .6705 .1737 .6804 .5287 .5919 .3461 69 LYS 69 -.2345 -1.9682 999.9900 -.4035 .7460 -.4527 .6747 .1592 .3740 -.2042 70 THR 70 -.6082 999.9900 -.8810 999.9900 .4476 -.3472 .6512 -.2478 .1268 -.1276 71 VAL 71 -.2252 999.9900 .3968 999.9900 .7810 .3175 .6530 .1264 .3459 .3464 72 LYS 72 1.2214 -.9566 999.9900 -.0397 .7460 .1863 .6770 .1583 .3744 .2524 73 ASP 73 .2251 -1.5978 999.9900 999.9900 .8104 -.1874 .6814 .3821 .5068 .1002 74 TYR 74 -1.0804 -3.5861 999.9900 999.9900 .5630 -1.3678 .6719 -.1767 .1769 -.7217 75 ARG 75 -1.9585 -2.3766 999.9900 1.3960 .8581 -.1370 .6785 .5197 .5859 .0733 76 SER 76 -.4865 999.9900 -.7153 999.9900 .6705 -.1771 .4921 .5291 .5137 .0980 77 PRO 77 -3.0630 999.9900 999.9900 999.9900 .4496 -1.3067 .5427 -.3686 .0111 -.6098 78 VAL 78 -4.3409 999.9900 -1.0788 999.9900 .7810 -1.5462 .6589 .1272 .3488 -.7705 79 SER 79 -1.1635 999.9900 -.7153 999.9900 .6705 -.4028 .6796 .5260 .5900 -.0006 80 ASN 80 -1.3825 -.0024 999.9900 999.9900 .7518 -.2110 .6776 .3767 .5021 .0843 81 LEU 81 -3.7702 -3.3760 999.9900 999.9900 .9565 -2.0632 .6802 .1592 .3762 -1.0701 82 ALA 82 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6676 .3245 .4674 -.4317 83 GLY 83 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5849 .4769 .5249 -.4091 84 ALA 84 -.4016 999.9900 999.9900 999.9900 .7458 .1721 .6698 .3141 .4623 .3320 85 VAL 85 -.7345 999.9900 -.2457 999.9900 .7810 -.0664 .6594 .1309 .3511 .1182 86 THR 86 -.2319 999.9900 -.2947 999.9900 .4476 -.0263 .6531 -.2491 .1268 .0650 87 THR 87 .1937 999.9900 .4804 999.9900 .4476 .3739 .6594 -.2713 .1165 .3019 88 MET 88 -.3503 -2.5481 999.9900 .9587 .5203 -.3549 .6739 .5179 .5829 -.0379 89 HIS 89 -.4125 .1724 999.9900 999.9900 .6686 .1428 .6776 .3330 .4766 .2878 90 VAL 90 -.0951 999.9900 -.0276 999.9900 .7810 .2194 .6577 .1282 .3488 .2889 91 ILE 91 .4877 -3.0500 999.9900 999.9900 .6034 -.6530 .6587 .0496 .3034 -.2501 92 ILE 92 -.4647 -1.7901 999.9900 999.9900 .6034 -.5505 .6523 .0443 .2976 -.1910 93 GLN 93 -1.2769 -.4358 999.9900 1.3059 .5113 .0261 .6794 .5270 .5905 .2185 94 ALA 94 -1.1963 999.9900 999.9900 999.9900 .7458 -.2252 .4722 .3100 .3776 .0829 95 PRO 95 -.2966 999.9900 999.9900 999.9900 .4496 .0765 .5517 -.3479 .0269 .0892 96 VAL 96 -.7565 999.9900 -1.0788 999.9900 .7810 -.3514 .6600 .1195 .3447 -.0549 97 THR 97 -4.2065 999.9900 -.8810 999.9900 .4476 -1.5467 .6626 -.2513 .1295 -.8457 98 GLU 98 -.9729 -1.7714 999.9900 .3501 .6899 -.4261 .6797 .5126 .5822 -.0853 99 LYS 99 -1.4447 .5334 999.9900 -.4035 .7460 -.1945 .6733 .1468 .3662 -.0217 100 GLU 100 -3.2255 -1.4588 999.9900 -1.0323 .6899 -1.2567 .6812 .5261 .5907 -.6366 101 LYS 101 999.9900 -1.0793 999.9900 .2868 999.9900 -.1686 .6718 -.0304 .2706 .0271 Means: -.6943 -1.5517 -.5556 .0068 .6979 -.3046 .6479 .2053 .3904 -.0240 2.00 analyzed_15