1 MET 1 999.9900 -1.7864 999.9900 .9587 .5203 -.1025 .6729 .5084 .5831 .1748 2 ALA 2 -.9332 999.9900 999.9900 999.9900 .7458 -.0937 .6659 .3229 .4658 .2004 3 ASP 3 -3.3417 .1998 999.9900 999.9900 .8104 -.7772 .6787 .3816 .5054 -.2542 4 THR 4 .1314 999.9900 .0483 999.9900 .4476 .2091 .6538 -.2575 .1222 .2047 5 GLY 5 -.2090 999.9900 999.9900 999.9900 .7883 .2896 .5890 .4682 .5219 .4091 6 GLU 6 -2.1524 -1.9198 999.9900 -1.0323 .6899 -1.1037 .6785 .5199 .5860 -.5360 7 VAL 7 -.3288 999.9900 -1.0788 999.9900 .7810 -.2088 .6576 .1233 .3459 .0309 8 GLN 8 -.3854 .0960 999.9900 1.3059 .5113 .3819 .6775 .5216 .5866 .4545 9 PHE 9 -.6363 .5389 999.9900 999.9900 .7573 .2200 .6718 .1040 .3406 .2871 10 MET 10 -.5247 -2.5481 999.9900 .9587 .5203 -.3985 .6746 .5158 .5820 -.0672 11 LYS 11 -.5771 -.9203 999.9900 .1140 .7460 -.1047 .4870 .1587 .2955 .0175 12 PRO 12 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5484 -.3609 .0179 .2529 13 PHE 13 .1032 -3.6820 999.9900 999.9900 .7573 -.9405 .6730 .1118 .3456 -.4074 14 ILE 14 -.1796 .8237 999.9900 999.9900 .6034 .4158 .6596 .0393 .2978 .3893 15 SER 15 .1386 999.9900 -.7153 999.9900 .6705 .0313 .6722 .5280 .5881 .2588 16 GLU 16 .8171 -.8493 999.9900 -1.0323 .6899 -.0937 .6758 .5178 .5836 .1365 17 LYS 17 -2.0221 -2.9005 999.9900 .3240 .7460 -.7057 .6759 .1463 .3670 -.3866 18 SER 18 -.7716 999.9900 -.7153 999.9900 .6705 -.2721 .6827 .5327 .5952 .0798 19 SER 19 .6370 999.9900 -.7153 999.9900 .6705 .1974 .6767 .5285 .5903 .3595 20 LYS 20 -3.5196 -1.3520 999.9900 -.0770 .7460 -.8559 .6696 .1619 .3735 -.4926 21 SER 21 -.3484 999.9900 -.7153 999.9900 .6705 -.1311 .6764 .5394 .5965 .1645 22 LEU 22 -.2022 -1.9980 999.9900 999.9900 .9565 -.4146 .6695 .1548 .3692 -.0839 23 GLU 23 -.5578 -.9977 999.9900 -1.0323 .6899 -.4745 .6817 .5263 .5911 -.1150 24 ILE 24 .4877 -.6653 999.9900 999.9900 .6034 .1419 .4827 .0348 .2215 .1887 25 PRO 25 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5497 -.3720 .0120 .2504 26 LEU 26 .4996 -3.3760 999.9900 999.9900 .9565 -.6400 .6782 .1513 .3708 -.2181 27 GLY 27 .0582 999.9900 999.9900 999.9900 .7883 .4232 .5675 .4687 .5126 .4707 28 PHE 28 -1.3242 -4.3038 999.9900 999.9900 .7573 -1.6236 .6716 .1117 .3450 -.8175 29 ASN 29 1.0488 -.1488 999.9900 999.9900 .7518 .5506 .6799 .3845 .5076 .5432 30 GLU 30 -.2702 -.5367 999.9900 -1.0323 .6899 -.2873 .6751 .5265 .5884 .0087 31 TYR 31 .6431 -2.1671 999.9900 999.9900 .5630 -.3204 .6749 -.1867 .1723 -.0946 32 PHE 32 -3.6149 .0697 999.9900 999.9900 .7573 -.9293 .4849 .1023 .2617 -.4401 33 PRO 33 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5537 -.3605 .0204 .2543 34 ALA 34 -.7637 999.9900 999.9900 999.9900 .7458 -.0090 .4665 .3215 .3819 .1925 35 PRO 35 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5432 -.4017 -.0080 .2527 36 PHE 36 -1.5081 -.9090 999.9900 999.9900 .7573 -.5533 .4966 .0941 .2618 -.2138 37 PRO 37 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5294 -.3876 -.0055 .2528 38 ILE 38 -.4094 -2.2551 999.9900 999.9900 .6034 -.6870 .6690 .0460 .3056 -.2692 39 THR 39 -1.0935 999.9900 .0483 999.9900 .4476 -.1992 .6519 -.2510 .1252 -.0394 40 VAL 40 -.3288 999.9900 .5873 999.9900 .7810 .3465 .6585 .1226 .3459 .3641 41 ASP 41 -.4836 .4993 999.9900 999.9900 .8104 .2754 .6759 .3872 .5075 .3778 42 LEU 42 -.1897 .1975 999.9900 999.9900 .9565 .3214 .6791 .1622 .3776 .3611 43 LEU 43 -.4552 -1.5832 999.9900 999.9900 .9565 -.3606 .6780 .1506 .3703 -.0507 44 ASP 44 -1.5212 -3.7306 999.9900 999.9900 .8104 -1.4804 .6752 .3859 .5064 -.6761 45 TYR 45 -2.5417 -4.1972 999.9900 999.9900 .5630 -2.0587 .6774 -.1848 .1744 -1.1367 46 SER 46 -3.2405 999.9900 -.7153 999.9900 .6705 -1.0951 .6781 .5355 .5949 -.4143 47 GLY 47 -2.1575 999.9900 999.9900 999.9900 .7883 -.6846 .5776 .4662 .5157 -.0813 48 ARG 48 -.5733 -1.5080 999.9900 .1593 .8581 -.1809 .6797 .5359 .5958 .0444 49 SER 49 .0374 999.9900 -.7153 999.9900 .6705 -.0025 .6776 .5371 .5957 .2415 50 TRP 50 -.2197 -.6490 999.9900 999.9900 .9378 .0230 .6746 .1747 .3830 .1837 51 THR 51 .4171 999.9900 -.8810 999.9900 .4476 -.0055 .6585 -.2599 .1228 .0765 52 VAL 52 -.0145 999.9900 -.5532 999.9900 .7810 .0711 .6638 .1169 .3447 .1988 53 ARG 53 -.5160 -2.3766 999.9900 .1593 .8581 -.3432 .6803 .5162 .5846 -.0742 54 MET 54 -.2922 .1642 999.9900 .9587 .5203 .3377 .6729 .5106 .5782 .4224 55 LYS 55 -.3223 -1.9682 999.9900 -.4035 .7460 -.4703 .6792 .1591 .3758 -.2162 56 LYS 56 -.3543 -.9203 999.9900 -.0397 .7460 -.1216 .6771 .1607 .3759 .0328 57 ARG 57 -.9010 -1.5080 999.9900 .6901 .8581 -.0342 .6747 .5176 .5831 .1459 58 GLY 58 -.0489 999.9900 999.9900 999.9900 .7883 .3697 .5862 .4776 .5259 .4508 59 GLU 59 -.7734 -2.8418 999.9900 -1.0323 .6899 -.9894 .6776 .5221 .5869 -.4597 60 LYS 60 -.4999 -.4905 999.9900 -.4035 .7460 -.2103 .6773 .1450 .3668 -.0327 61 VAL 61 -.0463 999.9900 .9224 999.9900 .7810 .5524 .6583 .1214 .3451 .4874 62 PHE 62 -.3916 .3397 999.9900 999.9900 .7573 .2351 .6772 .0937 .3368 .2953 63 LEU 63 -.7582 -2.9612 999.9900 999.9900 .9565 -.9210 .6805 .1500 .3710 -.3865 64 THR 64 -4.2065 999.9900 .4804 999.9900 .4476 -1.0929 .6568 -.2618 .1210 -.5767 65 VAL 65 -1.2071 999.9900 -1.0788 999.9900 .7810 -.5016 .6616 .1254 .3488 -.1436 66 GLY 66 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .5840 .4717 .5216 -.1535 67 TRP 67 .2222 -3.3859 999.9900 999.9900 .9378 -.7419 .6812 .1826 .3904 -.2724 68 GLU 68 .3258 -2.8418 999.9900 -1.0323 .6899 -.7146 .6754 .5242 .5872 -.2765 69 ASN 69 1.1272 -1.4522 999.9900 999.9900 .7518 .1423 .6770 .3825 .5052 .2973 70 PHE 70 .8041 -3.0602 999.9900 999.9900 .7573 -.4996 .6752 .0962 .3374 -.1455 71 VAL 71 .9834 999.9900 -1.0788 999.9900 .7810 .2286 .6590 .1170 .3428 .2923 72 LYS 72 .8536 -.2831 999.9900 -.4035 .7460 .1019 .6724 .1528 .3693 .1907 73 ASP 73 .9921 -1.3328 999.9900 999.9900 .8104 .1566 .6766 .3833 .5055 .3059 74 ASN 74 .3369 -.5409 999.9900 999.9900 .7518 .1826 .6832 .3941 .5145 .3250 75 ASN 75 -3.4329 -2.7010 999.9900 999.9900 .7518 -1.7940 .6790 .3765 .5025 -.8653 76 LEU 76 -.4552 .6031 999.9900 999.9900 .9565 .3681 .6770 .1454 .3669 .3854 77 GLU 77 -2.1524 -1.9198 999.9900 -1.0323 .6899 -1.1037 .6739 .5254 .5873 -.5359 78 ASP 78 -1.1493 -1.1646 999.9900 999.9900 .8104 -.5012 .6772 .3816 .5048 -.0889 79 GLY 79 -2.1575 999.9900 999.9900 999.9900 .7883 -.6846 .5902 .4701 .5235 -.0772 80 LYS 80 -.7762 .2033 999.9900 .4778 .7460 .2257 .6742 .1553 .3715 .2797 81 TYR 81 .4043 -2.0063 999.9900 999.9900 .5630 -.3464 .6810 -.1797 .1789 -.1076 82 LEU 82 -.1897 -2.1315 999.9900 999.9900 .9565 -.4549 .6709 .1524 .3684 -.1083 83 GLN 83 -.3535 -1.4944 999.9900 1.3059 .5113 -.0077 .6741 .5248 .5870 .1947 84 PHE 84 -.2457 -.8691 999.9900 999.9900 .7573 -.1192 .6739 .1053 .3422 .0843 85 ILE 85 .3059 -2.4201 999.9900 999.9900 .6034 -.5036 .6546 .0392 .2956 -.1634 86 TYR 86 .6005 -.7659 999.9900 999.9900 .5630 .1325 .6754 -.1645 .1855 .1817 87 ASP 87 -1.8260 -1.6521 999.9900 999.9900 .8104 -.8892 .6702 .3732 .4970 -.3248 88 ARG 88 -1.4842 -1.8960 999.9900 1.2208 .8581 -.0161 .6749 .5243 .5871 .1598 89 ASP 89 -2.3854 -.9083 999.9900 999.9900 .8104 -.8277 .6785 .3894 .5098 -.2831 90 ARG 90 -1.8488 -1.4154 999.9900 .1593 .8581 -.4175 .6784 .5305 .5921 -.1255 91 THR 91 .3447 999.9900 -.8810 999.9900 .4476 -.0296 .6561 -.2431 .1316 .0649 92 PHE 92 .0058 -1.7621 999.9900 999.9900 .7573 -.3330 .6771 .0994 .3401 -.0445 93 TYR 93 -.1387 .3309 999.9900 999.9900 .5630 .2517 .6748 -.1723 .1806 .2515 94 VAL 94 -1.1939 999.9900 -1.0788 999.9900 .7810 -.4972 .6566 .1255 .3468 -.1419 95 ILE 95 -1.5441 .0348 999.9900 999.9900 .6034 -.3020 .6586 .0490 .3030 -.0397 96 ILE 96 .0813 -.8802 999.9900 999.9900 .6034 -.0651 .6573 .0471 .3014 .1018 97 TYR 97 -.0819 .8376 999.9900 999.9900 .5630 .4395 .6775 -.1755 .1799 .3641 98 GLY 98 -2.9723 999.9900 999.9900 999.9900 .7883 -1.0920 .5808 .4774 .5233 -.2815 99 HIS 99 -3.0884 -3.1083 999.9900 999.9900 .6686 -1.8427 .6755 .3220 .4693 -.9061 100 ASN 100 -3.4329 -2.0766 999.9900 999.9900 .7518 -1.5859 .6754 .3847 .5059 -.7395 101 MET 101 -.5881 -2.5481 999.9900 .9587 .5203 -.4143 .6776 .5097 .5797 -.0783 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .6803 .2485 .4335 .3528 Means: -.6730 -1.4164 -.4582 .0814 .7095 -.3015 .6517 .2117 .3959 -.0194 2.00 analyzed_17