1 MET 1 999.9900 -1.7864 999.9900 .9587 .5203 -.1025 .6754 .5048 .5823 .1745 2 ALA 2 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6717 .3219 .4677 -.4313 3 ASP 3 -1.3872 .6398 999.9900 999.9900 .8104 .0210 .6736 .3775 .5009 .2228 4 THR 4 -.3846 999.9900 -.2947 999.9900 .4476 -.0772 .6580 -.2501 .1283 .0352 5 GLY 5 -.8931 999.9900 999.9900 999.9900 .7883 -.0524 .5956 .4783 .5304 .2423 6 GLU 6 -3.2255 -1.3104 999.9900 -1.0323 .6899 -1.2196 .6737 .5199 .5840 -.6141 7 VAL 7 .0815 999.9900 -.2457 999.9900 .7810 .2056 .6575 .1251 .3469 .2799 8 GLN 8 -.5881 -.0698 999.9900 2.7911 .5113 .6611 .6737 .5189 .5834 .6395 9 PHE 9 -.0559 .8308 999.9900 999.9900 .7573 .5108 .6790 .1096 .3468 .4642 10 MET 10 -.3815 -2.5481 999.9900 .9587 .5203 -.3627 .6740 .5227 .5857 -.0423 11 LYS 11 -.8267 -1.8181 999.9900 -.4035 .7460 -.5412 .4777 .1546 .2892 -.2962 12 PRO 12 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5499 -.3339 .0343 .2600 13 PHE 13 .0900 -4.3038 999.9900 999.9900 .7573 -1.1522 .6740 .1133 .3469 -.5339 14 ILE 14 .1962 -2.4201 999.9900 999.9900 .6034 -.5402 .6562 .0442 .2992 -.1840 15 SER 15 .4640 999.9900 .6576 999.9900 .6705 .5974 .6773 .5389 .5965 .6017 16 GLU 16 -.2326 -1.3104 999.9900 -1.0323 .6899 -.4714 .6776 .5199 .5856 -.1147 17 LYS 17 -.6960 -1.4228 999.9900 -.4035 .7460 -.4360 .6765 .1548 .3722 -.1926 18 SER 18 -.5255 999.9900 -.7153 999.9900 .6705 -.1901 .6791 .5297 .5920 .1277 19 SER 19 .9076 999.9900 -.7153 999.9900 .6705 .2876 .6817 .5372 .5974 .4163 20 LYS 20 -3.5196 -.7918 999.9900 .1140 .7460 -.6675 .6752 .1544 .3714 -.3583 21 SER 21 .0280 999.9900 -.0289 999.9900 .6705 .2232 .6791 .5323 .5935 .3762 22 LEU 22 -.6702 -2.9612 999.9900 999.9900 .9565 -.8916 .6753 .1594 .3744 -.3680 23 GLU 23 -.3890 -2.8418 999.9900 -1.0323 .6899 -.8933 .6786 .5260 .5896 -.3948 24 ILE 24 .2593 .8809 999.9900 999.9900 .6034 .5812 .4760 .0388 .2209 .4517 25 PRO 25 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5447 -.3701 .0111 .1591 26 LEU 26 .8786 -3.3760 999.9900 999.9900 .9565 -.5136 .6764 .1491 .3688 -.1431 27 GLY 27 -.3460 999.9900 999.9900 999.9900 .7883 .2211 .5897 .4791 .5283 .3778 28 PHE 28 -.5116 -.6612 999.9900 999.9900 .7573 -.1385 .6821 .1066 .3464 .0747 29 ASN 29 .6990 -2.3357 999.9900 999.9900 .7518 -.2950 .6841 .3877 .5112 .0374 30 GLU 30 -.3243 -.8493 999.9900 1.1588 .6899 .1688 .6789 .5339 .5943 .3146 31 TYR 31 -.0710 -4.1972 999.9900 999.9900 .5630 -1.2351 .6826 -.1840 .1771 -.6413 32 PHE 32 -3.6149 -.4925 999.9900 999.9900 .7573 -1.1167 .4769 .1069 .2610 -.5533 33 PRO 33 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5495 -.3725 .0117 .2503 34 ALA 34 -.4433 999.9900 999.9900 999.9900 .7458 .1513 .4812 .3255 .3904 .2773 35 PRO 35 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5512 -.3705 .0135 .2625 36 PHE 36 -1.5081 -.4187 999.9900 999.9900 .7573 -.3898 .4686 .0938 .2500 -.1214 37 PRO 37 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5427 -.3586 .0170 .2054 38 ILE 38 -.1493 -.2247 999.9900 999.9900 .6034 .0765 .6560 .0374 .2951 .1846 39 THR 39 -.5585 999.9900 -.8810 999.9900 .4476 -.3307 .6556 -.2556 .1241 -.1184 40 VAL 40 -.0582 999.9900 -1.0788 999.9900 .7810 -.1186 .6622 .1153 .3431 .0843 41 ASP 41 -.6569 -2.3194 999.9900 999.9900 .8104 -.7220 .6738 .3756 .4998 -.2233 42 LEU 42 -.1897 .0414 999.9900 999.9900 .9565 .2694 .6766 .1584 .3743 .3286 43 LEU 43 -.1655 -2.4128 999.9900 999.9900 .9565 -.5406 .6739 .1453 .3656 -.1605 44 ASP 44 -1.3478 -2.6388 999.9900 999.9900 .8104 -1.0587 .6710 .3786 .5004 -.4253 45 TYR 45 -1.0108 -.7659 999.9900 999.9900 .5630 -.4046 .6842 -.1855 .1769 -.1430 46 SER 46 -2.5541 999.9900 -.7153 999.9900 .6705 -.8663 .6799 .5309 .5930 -.2776 47 GLY 47 -.2363 999.9900 999.9900 999.9900 .7883 .2760 .5805 .4729 .5207 .4013 48 ARG 48 -.5733 -1.2607 999.9900 1.0005 .8581 .2050 .6735 .5170 .5822 .3165 49 SER 49 -.0741 999.9900 1.9667 999.9900 .6705 .8544 .6802 .5268 .5907 .7540 50 TRP 50 -.1951 -.6490 999.9900 999.9900 .9378 .0312 .6764 .1914 .3935 .1923 51 THR 51 .1937 999.9900 .2916 999.9900 .4476 .3110 .6536 -.2425 .1309 .2688 52 VAL 52 -.0145 999.9900 -.5532 999.9900 .7810 .0711 .6613 .1150 .3426 .1979 53 ARG 53 -.5160 -2.8571 999.9900 .1593 .8581 -.4393 .6742 .5136 .5805 -.1441 54 MET 54 -.4857 -.1900 999.9900 .9587 .5203 .2008 .6724 .5071 .5760 .3305 55 LYS 55 -.2799 -1.3520 999.9900 -.0397 .7460 -.1931 .6769 .1486 .3688 -.0200 56 LYS 56 -.3161 -2.4344 999.9900 -.4035 .7460 -.5623 .6776 .1619 .3768 -.2817 57 ARG 57 -1.7561 -2.3766 999.9900 .1593 .8581 -.5912 .6727 .5160 .5813 -.2525 58 GLY 58 -.5999 999.9900 999.9900 999.9900 .7883 .0942 .5687 .4708 .5143 .3070 59 GLU 59 -.9196 -2.1111 999.9900 -1.0323 .6899 -.8433 .6782 .5155 .5833 -.3633 60 LYS 60 -.2075 -2.9005 999.9900 -.4035 .7460 -.6338 .6784 .1598 .3759 -.3330 61 VAL 61 -.0951 999.9900 .5873 999.9900 .7810 .4244 .6558 .1353 .3522 .4129 62 PHE 62 -.3916 -1.2232 999.9900 999.9900 .7573 -.2858 .6732 .0935 .3351 -.0181 63 LEU 63 -.1836 -2.3037 999.9900 999.9900 .9565 -.5103 .6768 .1539 .3718 -.1400 64 THR 64 -4.2065 999.9900 -.8810 999.9900 .4476 -1.5467 .6542 -.2455 .1294 -.8463 65 VAL 65 -1.2071 999.9900 -1.0788 999.9900 .7810 -.5016 .6576 .1278 .3485 -.1439 66 GLY 66 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .5867 .4836 .5294 -.1499 67 TRP 67 -.6924 -3.3859 999.9900 999.9900 .9378 -1.0468 .6723 .1806 .3855 -.4575 68 GLU 68 .8604 -1.6501 999.9900 -1.0323 .6899 -.2830 .6782 .5215 .5868 .0112 69 ASN 69 1.1117 .8320 999.9900 999.9900 .7518 .8985 .6741 .3811 .5032 .7501 70 PHE 70 .6259 -4.3038 999.9900 999.9900 .7573 -.9735 .6800 .1054 .3448 -.4270 71 VAL 71 .9834 999.9900 -1.0788 999.9900 .7810 .2286 .6610 .1222 .3467 .2938 72 LYS 72 .6780 -1.1257 999.9900 -.4035 .7460 -.1017 .6742 .1630 .3760 .0469 73 ASP 73 .9343 -1.7105 999.9900 999.9900 .8104 .0114 .6800 .3907 .5112 .2210 74 ASN 74 -.6931 -2.0766 999.9900 999.9900 .7518 -.6726 .6733 .3734 .4984 -.1942 75 ASN 75 -3.4329 -.8859 999.9900 999.9900 .7518 -1.1890 .6810 .3771 .5037 -.5018 76 LEU 76 -3.3085 -2.7185 999.9900 999.9900 .9565 -1.6902 .6739 .1657 .3775 -.8462 77 GLU 77 -1.1499 -.7564 999.9900 1.1588 .6899 -.0144 .6755 .5264 .5885 .1907 78 ASP 78 -1.5212 -.8253 999.9900 999.9900 .8104 -.5120 .6799 .3774 .5035 -.0957 79 GLY 79 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5761 .4715 .5180 -.4126 80 LYS 80 -.7069 .2033 999.9900 .1140 .7460 .0941 .6710 .1626 .3744 .1863 81 TYR 81 .4043 -.5167 999.9900 999.9900 .5630 .1502 .6790 -.1651 .1866 .1929 82 LEU 82 -.5757 -3.3760 999.9900 999.9900 .9565 -.9984 .6752 .1527 .3704 -.4335 83 GLN 83 -.1803 -.5092 999.9900 1.3059 .5113 .2819 .6774 .5264 .5893 .3886 84 PHE 84 -.2457 -1.8165 999.9900 999.9900 .7573 -.4350 .6804 .1105 .3480 -.1028 85 ILE 85 .0813 -1.6252 999.9900 999.9900 .6034 -.3135 .6568 .0387 .2963 -.0490 86 TYR 86 .3981 -1.2283 999.9900 999.9900 .5630 -.0891 .6827 -.1888 .1743 .0453 87 ASP 87 -1.6875 -.3959 999.9900 999.9900 .8104 -.4243 .6715 .3765 .4994 -.0450 88 ARG 88 -1.7561 -2.3766 999.9900 .5548 .8581 -.4330 .6754 .5155 .5821 -.1391 89 ASP 89 -2.3854 -1.0785 999.9900 999.9900 .8104 -.8845 .6728 .3794 .5016 -.3203 90 ARG 90 -1.7561 -1.5080 999.9900 .6901 .8581 -.2052 .6764 .5043 .5760 .0221 91 THR 91 .5084 999.9900 1.0667 999.9900 .4476 .6742 .6554 -.2700 .1156 .4816 92 PHE 92 .0766 -.6459 999.9900 999.9900 .7573 .0627 .6812 .0913 .3371 .1921 93 TYR 93 .2641 -1.8096 999.9900 999.9900 .5630 -.3275 .6787 -.1885 .1728 -.0985 94 VAL 94 -.5494 999.9900 -1.0788 999.9900 .7810 -.2824 .6590 .1283 .3494 -.0120 95 ILE 95 -.9405 -2.1272 999.9900 999.9900 .6034 -.8214 .6595 .0492 .3035 -.3511 96 ILE 96 .2593 -.9348 999.9900 999.9900 .6034 -.0241 .6596 .0282 .2912 .1231 97 TYR 97 -.7539 -1.6488 999.9900 999.9900 .5630 -.6133 .6831 -.1783 .1806 -.2670 98 GLY 98 -.7504 999.9900 999.9900 999.9900 .7883 .0189 .5817 .4711 .5203 .2727 99 HIS 99 -3.0884 -3.1083 999.9900 999.9900 .6686 -1.8427 .6794 .3208 .4702 -.9056 100 ASN 100 -2.3558 -.7732 999.9900 999.9900 .7518 -.7924 .6770 .3743 .5004 -.2652 101 MET 101 -2.2339 -2.0676 999.9900 .9587 .5203 -.7056 .6785 .5136 .5823 -.2717 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .6863 .2442 .4337 .3534 Means: -.6736 -1.5579 -.2445 .1681 .7095 -.3088 .6519 .2119 .3961 -.0238 2.00 analyzed_12