1 MET 1 999.9900 -2.5481 999.9900 .9587 .5203 -.3564 .6734 .5072 .5827 .0223 2 ALA 2 -1.4845 999.9900 999.9900 999.9900 .7458 -.3694 .6650 .3192 .4633 .0614 3 ASP 3 -3.3417 -2.0001 999.9900 999.9900 .8104 -1.5105 .6736 .3767 .5004 -.6962 4 THR 4 -2.2360 999.9900 -.8810 999.9900 .4476 -.8898 .6487 -.2676 .1142 -.4577 5 GLY 5 -.3145 999.9900 999.9900 999.9900 .7883 .2369 .5936 .4766 .5286 .3860 6 GLU 6 -3.2255 -1.9198 999.9900 .3501 .6899 -1.0263 .6745 .5200 .5844 -.4851 7 VAL 7 -.0463 999.9900 .1416 999.9900 .7810 .2921 .6566 .1148 .3405 .3295 8 GLN 8 -.5881 -.3697 999.9900 1.3059 .5113 .2149 .6769 .5257 .5887 .3437 9 PHE 9 -.9952 -.1636 999.9900 999.9900 .7573 -.1338 .6782 .1008 .3414 .0755 10 MET 10 -.2651 -2.5481 999.9900 .9587 .5203 -.3336 .6732 .5186 .5830 -.0238 11 LYS 11 -.8267 -2.9005 999.9900 -.4035 .7460 -.7577 .4709 .1608 .2900 -.4509 12 PRO 12 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5447 -.3767 .0072 .2480 13 PHE 13 -.0017 -3.6820 999.9900 999.9900 .7573 -.9755 .6768 .1074 .3446 -.4284 14 ILE 14 .3543 -1.4972 999.9900 999.9900 .6034 -.1798 .6591 .0409 .2985 .0321 15 SER 15 .1386 999.9900 -.0289 999.9900 .6705 .2601 .6767 .5342 .5936 .3982 16 GLU 16 .8171 -1.9198 999.9900 -1.0323 .6899 -.3613 .6828 .5236 .5899 -.0398 17 LYS 17 -2.0221 -1.6955 999.9900 -.4035 .7460 -.7557 .6735 .1564 .3719 -.4212 18 SER 18 .1386 999.9900 .3727 999.9900 .6705 .3940 .6851 .5368 .5986 .4808 19 SER 19 .1589 999.9900 -.7153 999.9900 .6705 .0380 .6698 .5377 .5927 .2643 20 LYS 20 -2.7709 -1.5020 999.9900 .5131 .7460 -.5001 .6792 .1623 .3777 -.2370 21 SER 21 -.3484 999.9900 -.7153 999.9900 .6705 -.1311 .6811 .5350 .5959 .1646 22 LEU 22 -.2022 -3.3760 999.9900 999.9900 .9565 -.8739 .6795 .1560 .3741 -.3572 23 GLU 23 -.8365 -.3719 999.9900 -1.0323 .6899 -.3877 .6702 .5226 .5841 -.0597 24 ILE 24 -.1408 -1.7297 999.9900 999.9900 .6034 -.4224 .4612 .0446 .2182 -.1523 25 PRO 25 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5498 -.3397 .0309 .2585 26 LEU 26 -.5228 -2.2115 999.9900 999.9900 .9565 -.5926 .6719 .1571 .3716 -.1898 27 GLY 27 .1734 999.9900 999.9900 999.9900 .7883 .4808 .5682 .4694 .5133 .4998 28 PHE 28 -1.7494 -3.3183 999.9900 999.9900 .7573 -1.4368 .6715 .1050 .3410 -.7068 29 ASN 29 1.1272 -1.4522 999.9900 999.9900 .7518 .1423 .6801 .3775 .5035 .2969 30 GLU 30 .0468 -1.1358 999.9900 .3501 .6899 -.0123 .6822 .5220 .5887 .1925 31 TYR 31 .6431 -4.1972 999.9900 999.9900 .5630 -.9971 .6784 -.1785 .1785 -.4983 32 PHE 32 -3.6149 -.4925 999.9900 999.9900 .7573 -1.1167 .4939 .1078 .2687 -.5497 33 PRO 33 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5521 -.3689 .0148 .2518 34 ALA 34 -.4433 999.9900 999.9900 999.9900 .7458 .1513 .4800 .3249 .3895 .2769 35 PRO 35 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5534 -.3677 .0161 .2638 36 PHE 36 -1.5081 -.9090 999.9900 999.9900 .7573 -.5533 .4978 .1052 .2688 -.2113 37 PRO 37 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5420 -.3676 .0114 .2030 38 ILE 38 -.4906 -.1188 999.9900 999.9900 .6034 -.0020 .6537 .0422 .2970 .1380 39 THR 39 -.5707 999.9900 .0483 999.9900 .4476 -.0249 .6538 -.2520 .1254 .0654 40 VAL 40 -.0582 999.9900 .9224 999.9900 .7810 .5484 .6580 .1146 .3410 .4835 41 ASP 41 -.5526 -.2316 999.9900 999.9900 .8104 .0087 .6804 .3863 .5088 .2186 42 LEU 42 -.1655 -1.4262 999.9900 999.9900 .9565 -.2117 .6831 .1636 .3801 .0423 43 LEU 43 .0291 -1.9410 999.9900 999.9900 .9565 -.3185 .6734 .1553 .3712 -.0253 44 ASP 44 -1.5212 -3.1847 999.9900 999.9900 .8104 -1.2985 .6758 .3942 .5115 -.5651 45 TYR 45 -1.3836 -4.1972 999.9900 999.9900 .5630 -1.6726 .6795 -.1694 .1843 -.9016 46 SER 46 -1.9635 999.9900 -.0289 999.9900 .6705 -.4406 .6760 .5419 .5977 -.0208 47 GLY 47 -.7692 999.9900 999.9900 999.9900 .7883 .0095 .5892 .4812 .5292 .2724 48 ARG 48 -.4155 -.4990 999.9900 .5548 .8581 .2107 .6746 .5183 .5834 .3209 49 SER 49 .0374 999.9900 .8786 999.9900 .6705 .5289 .6810 .5294 .5926 .5594 50 TRP 50 -.2197 -.6490 999.9900 999.9900 .9378 .0230 .6799 .1721 .3837 .1842 51 THR 51 .4171 999.9900 .4804 999.9900 .4476 .4483 .6514 -.2518 .1245 .3489 52 VAL 52 -.1853 999.9900 -1.0788 999.9900 .7810 -.1610 .6589 .1058 .3363 .0563 53 ARG 53 -.5160 -2.3766 999.9900 .6901 .8581 -.1309 .6779 .5192 .5853 .0775 54 MET 54 -.6343 -.2630 999.9900 .9587 .5203 .1454 .6730 .5192 .5833 .2956 55 LYS 55 -.2799 -1.5020 999.9900 -.4035 .7460 -.3686 .6780 .1590 .3752 -.1437 56 LYS 56 -.3161 -1.5020 999.9900 -.4035 .7460 -.3758 .6700 .1660 .3760 -.1490 57 ARG 57 -1.7561 -.1877 999.9900 .6901 .8581 .0589 .6794 .5239 .5887 .2140 58 GLY 58 -1.4779 999.9900 999.9900 999.9900 .7883 -.3448 .5763 .4664 .5153 .0883 59 GLU 59 -.9196 -.2810 999.9900 1.7325 .6899 .3054 .6786 .5221 .5873 .4037 60 LYS 60 -.2512 -2.9005 999.9900 .5368 .7460 -.2664 .6810 .1569 .3753 -.0706 61 VAL 61 .0815 999.9900 .9747 999.9900 .7810 .6124 .6499 .1285 .3457 .5231 62 PHE 62 -.3916 -4.3038 999.9900 999.9900 .7573 -1.3127 .6770 .0924 .3360 -.6337 63 LEU 63 -.1596 -2.9612 999.9900 999.9900 .9565 -.7214 .6734 .1450 .3651 -.2692 64 THR 64 -4.2065 999.9900 -.8810 999.9900 .4476 -1.5467 .6570 -.2503 .1277 -.8467 65 VAL 65 -.7790 999.9900 -1.0788 999.9900 .7810 -.3589 .6579 .1165 .3421 -.0605 66 GLY 66 -2.9723 999.9900 999.9900 999.9900 .7883 -1.0920 .5650 .4661 .5101 -.2882 67 TRP 67 -.6924 -3.3859 999.9900 999.9900 .9378 -1.0468 .6712 .1748 .3817 -.4589 68 GLU 68 .6116 -1.9198 999.9900 .3501 .6899 -.0670 .6761 .5132 .5811 .1535 69 ASN 69 1.3908 -2.0766 999.9900 999.9900 .7518 .0220 .6828 .3952 .5150 .2288 70 PHE 70 1.2230 -.0015 999.9900 999.9900 .7573 .6596 .6749 .1081 .3443 .5524 71 VAL 71 .9834 999.9900 -1.0788 999.9900 .7810 .2286 .6580 .1222 .3454 .2932 72 LYS 72 .3654 -1.2879 999.9900 -.4035 .7460 -.1967 .6791 .1532 .3723 -.0216 73 ASP 73 .9921 -1.1646 999.9900 999.9900 .8104 .2126 .6819 .3881 .5105 .3416 74 ASN 74 .0188 -3.3254 999.9900 999.9900 .7518 -.8516 .6718 .3800 .5016 -.3006 75 ASN 75 -3.4329 -3.3254 999.9900 999.9900 .7518 -2.0021 .6793 .3844 .5073 -.9885 76 LEU 76 -1.4617 -3.3760 999.9900 999.9900 .9565 -1.2937 .6659 .1520 .3661 -.6127 77 GLU 77 -1.3743 -2.3808 999.9900 -1.0323 .6899 -1.0244 .6738 .5114 .5791 -.4854 78 ASP 78 -1.5212 -3.7306 999.9900 999.9900 .8104 -1.4804 .6777 .3864 .5078 -.6754 79 GLY 79 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5839 .4626 .5165 -.4129 80 LYS 80 -.5681 -1.9682 999.9900 -.4035 .7460 -.5195 .6744 .1544 .3711 -.2526 81 TYR 81 .4043 .5339 999.9900 999.9900 .5630 .5004 .6783 -.1754 .1803 .4008 82 LEU 82 -.4552 -3.3760 999.9900 999.9900 .9565 -.9582 .6749 .1587 .3738 -.4082 83 GLN 83 -.1803 .2375 999.9900 1.3059 .5113 .4686 .6729 .5216 .5846 .5115 84 PHE 84 -.2457 -4.3038 999.9900 999.9900 .7573 -1.2641 .6770 .1005 .3407 -.6029 85 ILE 85 .2768 -1.4972 999.9900 999.9900 .6034 -.2057 .6590 .0291 .2916 .0142 86 TYR 86 .4043 -1.3592 999.9900 999.9900 .5630 -.1307 .6768 -.1769 .1788 .0216 87 ASP 87 -1.6275 .9074 999.9900 999.9900 .8104 .0301 .6759 .3899 .5090 .2312 88 ARG 88 -1.4842 -2.0954 999.9900 .1593 .8581 -.4806 .6769 .5264 .5891 -.1714 89 ASP 89 -2.5838 -3.1847 999.9900 999.9900 .8104 -1.6527 .6797 .3854 .5080 -.7786 90 ARG 90 -1.6758 -.1311 999.9900 .1593 .8581 -.1260 .6768 .5192 .5848 .0808 91 THR 91 .3531 999.9900 -.8810 999.9900 .4476 -.0268 .6598 -.2442 .1324 .0670 92 PHE 92 -.1586 -.1815 999.9900 999.9900 .7573 .1391 .6806 .1068 .3459 .2409 93 TYR 93 -.0287 .2608 999.9900 999.9900 .5630 .2650 .6765 -.1767 .1788 .2590 94 VAL 94 -.9687 999.9900 -.0276 999.9900 .7810 -.0717 .6546 .1237 .3449 .1126 95 ILE 95 -1.5441 .8809 999.9900 999.9900 .6034 -.0200 .6533 .0395 .2953 .1266 96 ILE 96 -.3198 -1.4255 999.9900 999.9900 .6034 -.3806 .6599 .0407 .2987 -.0883 97 TYR 97 .6244 -2.9749 999.9900 999.9900 .5630 -.5959 .6790 -.1871 .1738 -.2591 98 GLY 98 -1.9441 999.9900 999.9900 999.9900 .7883 -.5779 .5830 .4786 .5250 -.0236 99 HIS 99 -3.0884 -3.1083 999.9900 999.9900 .6686 -1.8427 .6816 .3273 .4749 -.9038 100 ASN 100 -.6274 -.4258 999.9900 999.9900 .7518 -.1004 .6762 .3911 .5099 .1532 101 MET 101 -1.8017 -2.5481 999.9900 .9587 .5203 -.7177 .6745 .5260 .5879 -.2784 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .6733 .2327 .4215 .3452 Means: -.6817 -1.7710 -.1814 .2025 .7095 -.3483 .6515 .2127 .3964 -.0482 2.00 analyzed_19