1 MET 1 999.9900 -1.5870 999.9900 .9587 .5203 -.0360 .6735 .5037 .5809 .2138 2 ALA 2 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6680 .3122 .4605 -.4346 3 ASP 3 -1.3872 -1.0518 999.9900 999.9900 .8104 -.5429 .6750 .3853 .5060 -.1137 4 THR 4 -.6608 999.9900 -.8810 999.9900 .4476 -.3648 .6581 -.2534 .1264 -.1379 5 GLY 5 -2.9723 999.9900 999.9900 999.9900 .7883 -1.0920 .5921 .4760 .5276 -.2790 6 GLU 6 -3.2255 -.2138 999.9900 -1.0323 .6899 -.9454 .6821 .5184 .5866 -.4302 7 VAL 7 -.3161 999.9900 -1.0788 999.9900 .7810 -.2046 .6525 .1058 .3336 .0289 8 GLN 8 -.8152 -2.6982 999.9900 1.3059 .5113 -.4240 .6848 .5152 .5859 -.0827 9 PHE 9 .1225 .1483 999.9900 999.9900 .7573 .3427 .6780 .0849 .3320 .3582 10 MET 10 -.2520 -1.4323 999.9900 .9587 .5203 -.0513 .6809 .5250 .5900 .1668 11 LYS 11 -.8267 -.7918 999.9900 -.4035 .7460 -.3359 .5008 .1500 .2962 -.1470 12 PRO 12 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5530 -.3821 .0075 .2487 13 PHE 13 .1032 .0697 999.9900 999.9900 .7573 .3101 .6816 .0986 .3415 .3421 14 ILE 14 -.3198 .0077 999.9900 999.9900 .6034 .0971 .6539 .0408 .2963 .1972 15 SER 15 .1589 999.9900 -.7153 999.9900 .6705 .0380 .6786 .5342 .5944 .2654 16 GLU 16 1.0761 -2.8418 999.9900 -1.0323 .6899 -.5271 .6771 .5186 .5846 -.1521 17 LYS 17 -2.0221 -2.1617 999.9900 -.4035 .7460 -.8490 .6753 .1547 .3716 -.4878 18 SER 18 .1386 999.9900 -.7153 999.9900 .6705 .0313 .6818 .5308 .5937 .2613 19 SER 19 .1589 999.9900 -.7153 999.9900 .6705 .0380 .6749 .5275 .5889 .2633 20 LYS 20 -2.7709 .7597 999.9900 .4778 .7460 -.0619 .6768 .1434 .3656 .0729 21 SER 21 -.3889 999.9900 -.7153 999.9900 .6705 -.1446 .6671 .5231 .5831 .1513 22 LEU 22 -.3112 -2.3037 999.9900 999.9900 .9565 -.5528 .6769 .1439 .3660 -.1675 23 GLU 23 -.5863 -1.5476 999.9900 -1.0323 .6899 -.6191 .6834 .5302 .5940 -.2105 24 ILE 24 .0813 -.0177 999.9900 999.9900 .6034 .2223 .4759 .0452 .2247 .2376 25 PRO 25 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5442 -.3713 .0102 .1586 26 LEU 26 .0133 -3.3760 999.9900 999.9900 .9565 -.8020 .6734 .1537 .3703 -.3158 27 GLY 27 -.3460 999.9900 999.9900 999.9900 .7883 .2211 .5865 .4753 .5247 .3760 28 PHE 28 -.5116 -.4798 999.9900 999.9900 .7573 -.0780 .6796 .1084 .3464 .1108 29 ASN 29 1.3908 -2.0766 999.9900 999.9900 .7518 .0220 .6816 .3762 .5035 .2248 30 GLU 30 .0468 -2.8418 999.9900 -1.0323 .6899 -.7844 .6774 .5160 .5833 -.3240 31 TYR 31 .3338 -4.1972 999.9900 999.9900 .5630 -1.1002 .6763 -.1704 .1824 -.5589 32 PHE 32 -3.6149 -.4925 999.9900 999.9900 .7573 -1.1167 .4959 .0900 .2591 -.5528 33 PRO 33 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5484 -.3473 .0259 .2563 34 ALA 34 -.4433 999.9900 999.9900 999.9900 .7458 .1513 .4734 .3251 .3869 .2752 35 PRO 35 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5537 -.3609 .0202 .2076 36 PHE 36 -1.5081 -4.3038 999.9900 999.9900 .7573 -1.6849 .4865 .0921 .2564 -.8952 37 PRO 37 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5428 -.3835 .0025 .1992 38 ILE 38 -1.3063 -.5232 999.9900 999.9900 .6034 -.4087 .6578 .0448 .3002 -.1047 39 THR 39 -.5585 999.9900 -.2947 999.9900 .4476 -.1352 .6552 -.2444 .1304 .0010 40 VAL 40 -.3637 999.9900 -.0276 999.9900 .7810 .1299 .6621 .1079 .3388 .2320 41 ASP 41 -.5526 -.9304 999.9900 999.9900 .8104 -.2242 .6770 .3732 .4998 .0755 42 LEU 42 -.0536 .6236 999.9900 999.9900 .9565 .5089 .6739 .1633 .3760 .4727 43 LEU 43 .0762 -2.1315 999.9900 999.9900 .9565 -.3663 .6851 .1643 .3813 -.0499 44 ASP 44 -1.5212 -2.4630 999.9900 999.9900 .8104 -1.0579 .6760 .3856 .5066 -.4224 45 TYR 45 -3.6999 -.4266 999.9900 999.9900 .5630 -1.1878 .6770 -.1667 .1848 -.6106 46 SER 46 -2.9368 999.9900 .3727 999.9900 .6705 -.6312 .6680 .5245 .5843 -.1402 47 GLY 47 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .5930 .4827 .5317 -.1486 48 ARG 48 -.5733 -1.0788 999.9900 .1593 .8581 -.0951 .6789 .5259 .5897 .1042 49 SER 49 -.0526 999.9900 .6576 999.9900 .6705 .4252 .6735 .5332 .5917 .4965 50 TRP 50 -.2197 -.6490 999.9900 999.9900 .9378 .0230 .6774 .1896 .3929 .1872 51 THR 51 .4909 999.9900 .0483 999.9900 .4476 .3289 .6515 -.2541 .1232 .2768 52 VAL 52 -.3637 999.9900 -1.0788 999.9900 .7810 -.2205 .6665 .1183 .3467 .0247 53 ARG 53 -.5160 -1.1946 999.9900 .6901 .8581 .1055 .6784 .5168 .5842 .2461 54 MET 54 -.3206 -.2630 999.9900 .9587 .5203 .2238 .6733 .5227 .5855 .3486 55 LYS 55 -.1765 -1.5020 999.9900 -.4035 .7460 -.3479 .6699 .1609 .3730 -.1298 56 LYS 56 -.3161 -2.4344 999.9900 -.4035 .7460 -.5623 .6752 .1664 .3784 -.2814 57 ARG 57 -1.2223 -.8531 999.9900 .1593 .8581 -.1797 .6751 .5183 .5837 .0421 58 GLY 58 -.2363 999.9900 999.9900 999.9900 .7883 .2760 .5733 .4656 .5135 .3977 59 GLU 59 -1.0162 -2.8418 999.9900 -1.0323 .6899 -1.0501 .6749 .5213 .5853 -.5007 60 LYS 60 -.2512 -.9951 999.9900 -.4035 .7460 -.2615 .6770 .1605 .3757 -.0671 61 VAL 61 -.0463 999.9900 .6672 999.9900 .7810 .4673 .6482 .1180 .3389 .4336 62 PHE 62 -.3916 -1.3810 999.9900 999.9900 .7573 -.3384 .6761 .1013 .3408 -.0476 63 LEU 63 -.5127 -.1732 999.9900 999.9900 .9565 .0902 .6738 .1576 .3727 .2204 64 THR 64 -4.2065 999.9900 1.0667 999.9900 .4476 -.8974 .6526 -.2465 .1281 -.4572 65 VAL 65 -1.2071 999.9900 .7395 999.9900 .7810 .1045 .6579 .1209 .3446 .2184 66 GLY 66 -2.9723 999.9900 999.9900 999.9900 .7883 -1.0920 .5812 .4756 .5225 -.2818 67 TRP 67 -.6924 -3.3859 999.9900 999.9900 .9378 -1.0468 .6737 .1890 .3910 -.4555 68 GLU 68 1.0761 -.8169 999.9900 1.1588 .6899 .5270 .6710 .5117 .5781 .5484 69 ASN 69 1.1117 1.2520 999.9900 999.9900 .7518 1.0385 .6793 .3782 .5036 .8346 70 PHE 70 .8041 -1.2232 999.9900 999.9900 .7573 .1128 .6789 .0998 .3411 .2234 71 VAL 71 .9834 999.9900 -1.0788 999.9900 .7810 .2286 .6554 .1149 .3401 .2912 72 LYS 72 .6780 -2.9005 999.9900 -.0397 .7460 -.3112 .6778 .1559 .3733 -.1032 73 ASP 73 .9921 -1.4542 999.9900 999.9900 .8104 .1161 .6791 .3774 .5031 .2810 74 ASN 74 .2400 -2.0766 999.9900 999.9900 .7518 -.3616 .6737 .3809 .5029 -.0060 75 ASN 75 -2.1824 -.1757 999.9900 999.9900 .7518 -.5354 .6791 .3898 .5103 -.1075 76 LEU 76 -.7230 -2.1315 999.9900 999.9900 .9565 -.6327 .6783 .1499 .3701 -.2140 77 GLU 77 -1.3743 -1.1891 999.9900 -1.0323 .6899 -.7264 .6733 .5219 .5850 -.2851 78 ASP 78 -1.5212 -3.7306 999.9900 999.9900 .8104 -1.4804 .6741 .3834 .5045 -.6768 79 GLY 79 -2.2927 999.9900 999.9900 999.9900 .7883 -.7522 .5756 .4751 .5198 -.1134 80 LYS 80 -.7762 -.1697 999.9900 .2495 .7460 .0598 .6801 .1546 .3735 .1620 81 TYR 81 .6005 .8376 999.9900 999.9900 .5630 .6670 .6802 -.1743 .1818 .5014 82 LEU 82 -.4552 -3.3760 999.9900 999.9900 .9565 -.9582 .6744 .1554 .3716 -.4090 83 GLN 83 -.1966 -1.9601 999.9900 1.3059 .5113 -.0849 .6760 .5239 .5873 .1434 84 PHE 84 -.2457 -3.6820 999.9900 999.9900 .7573 -1.0568 .6856 .1090 .3492 -.4752 85 ILE 85 .3543 .0606 999.9900 999.9900 .6034 .3395 .6565 .0397 .2967 .3429 86 TYR 86 .4225 -.0856 999.9900 999.9900 .5630 .3000 .6745 -.1833 .1741 .2782 87 ASP 87 -1.5723 -.7868 999.9900 999.9900 .8104 -.5162 .6819 .3711 .5006 -.0991 88 ARG 88 -1.4842 -1.8960 999.9900 .1593 .8581 -.4407 .6768 .5231 .5871 -.1434 89 ASP 89 -2.5838 -1.3712 999.9900 999.9900 .8104 -1.0482 .6796 .3845 .5075 -.4161 90 ARG 90 -1.3391 -.0419 999.9900 .6901 .8581 .1714 .6699 .5163 .5803 .2919 91 THR 91 .5084 999.9900 -.8810 999.9900 .4476 .0250 .6587 -.2539 .1264 .0960 92 PHE 92 .0900 -.5318 999.9900 999.9900 .7573 .1052 .6718 .1035 .3403 .2182 93 TYR 93 .0500 .5339 999.9900 999.9900 .5630 .3823 .6825 -.1803 .1792 .3298 94 VAL 94 -.3909 999.9900 -1.0788 999.9900 .7810 -.2295 .6551 .1315 .3497 .0196 95 ILE 95 -1.5441 .6122 999.9900 999.9900 .6034 -.1095 .6568 .0398 .2969 .0736 96 ILE 96 -.2252 -1.4972 999.9900 999.9900 .6034 -.3730 .6623 .0498 .3050 -.0814 97 TYR 97 -.0819 -.6021 999.9900 999.9900 .5630 -.0404 .6761 -.1796 .1769 .0751 98 GLY 98 -2.2927 999.9900 999.9900 999.9900 .7883 -.7522 .5823 .4788 .5248 -.1108 99 HIS 99 -3.0884 .6122 999.9900 999.9900 .6686 -.6025 .6728 .3288 .4721 -.1612 100 ASN 100 -3.4329 -.9481 999.9900 999.9900 .7518 -1.2097 .6812 .3892 .5109 -.5117 101 MET 101 -2.6662 .0433 999.9900 .9587 .5203 -.2860 .6838 .5243 .5907 .0107 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .6753 .2483 .4313 .3511 Means: -.7272 -1.2279 -.2936 .0633 .7095 -.2710 .6523 .2116 .3961 -.0005 2.00 analyzed_9