1 MET 1 999.9900 -2.5481 999.9900 .9587 .5203 -.3564 .6733 .5056 .5818 .0219 2 GLY 2 -1.8567 999.9900 999.9900 999.9900 .7883 -.5342 .5722 .4723 .5167 -.0060 3 HIS 3 -3.0884 -1.5062 999.9900 999.9900 .6686 -1.3087 .6746 .3257 .4711 -.5851 4 HIS 4 -2.5191 -3.1083 999.9900 999.9900 .6686 -1.6529 .6752 .3382 .4786 -.7891 5 HIS 5 -1.6168 -3.1083 999.9900 999.9900 .6686 -1.3522 .6767 .3250 .4715 -.6110 6 HIS 6 -1.2838 -3.1083 999.9900 999.9900 .6686 -1.2412 .6773 .3362 .4783 -.5420 7 HIS 7 -2.5191 -1.3248 999.9900 999.9900 .6686 -1.0584 .6761 .3184 .4674 -.4362 8 HIS 8 -3.0884 -2.0147 999.9900 999.9900 .6686 -1.4782 .6804 .3123 .4657 -.6883 9 LEU 9 -2.1729 -2.4128 999.9900 999.9900 .9565 -1.2098 .6714 .1540 .3696 -.5608 10 GLU 10 -1.8465 -1.6501 999.9900 -1.0323 .6899 -.9598 .6802 .5227 .5883 -.4393 11 MET 11 -1.4527 -2.0676 999.9900 .9587 .5203 -.5103 .6755 .5131 .5808 -.1421 12 ALA 12 -1.7252 999.9900 999.9900 999.9900 .7458 -.4897 .6742 .3163 .4654 .0028 13 SER 13 -3.7598 999.9900 -.7153 999.9900 .6705 -1.2682 .6747 .5252 .5875 -.5209 14 GLU 14 .1185 -1.0866 999.9900 -1.0323 .6899 -.3276 .6744 .5214 .5851 -.0191 15 GLU 15 -3.2255 .3642 999.9900 1.7325 .6899 -.1097 .6809 .5279 .5917 .1283 16 GLY 16 1.0314 999.9900 999.9900 999.9900 .7883 .9098 .5825 .4794 .5252 .7204 17 GLN 17 -.6340 -2.6982 999.9900 1.3059 .5113 -.3788 .6743 .5280 .5890 -.0521 18 VAL 18 -.0951 999.9900 -.2457 999.9900 .7810 .1467 .6531 .1298 .3478 .2446 19 ILE 19 -.4647 -.9795 999.9900 999.9900 .6034 -.2803 .6595 .0497 .3038 -.0263 20 ALA 20 -1.0624 999.9900 999.9900 999.9900 .7458 -.1583 .6697 .3308 .4720 .1710 21 CYS 21 -.5218 999.9900 .1296 999.9900 .9108 .1729 .6775 .3122 .4644 .3017 22 HIS 22 -1.1973 -.9211 999.9900 999.9900 .6686 -.4833 .6791 .3213 .4704 -.0899 23 THR 23 -.5585 999.9900 -.8810 999.9900 .4476 -.3307 .6590 -.2720 .1159 -.1210 24 VAL 24 .7260 999.9900 -.2457 999.9900 .7810 .4205 .6573 .1174 .3424 .4072 25 GLU 25 .7157 -2.1111 999.9900 1.1588 .6899 .1133 .6733 .5221 .5851 .2748 26 THR 26 .9379 999.9900 -.8810 999.9900 .4476 .1682 .6623 -.2498 .1302 .1834 27 TRP 27 .9545 .0052 999.9900 999.9900 .9378 .6325 .6731 .1884 .3904 .5518 28 ASN 28 1.1678 -2.7010 999.9900 999.9900 .7518 -.2604 .6765 .3825 .5050 .0555 29 GLU 29 .7157 -1.9198 999.9900 -1.0323 .6899 -.3866 .6718 .5290 .5885 -.0576 30 GLN 30 .9732 -2.2325 999.9900 1.3059 .5113 .1395 .6732 .5219 .5849 .2922 31 LEU 31 .9913 -1.3019 999.9900 999.9900 .9565 .2153 .6734 .1570 .3722 .2953 32 GLN 32 .7451 -1.7668 999.9900 1.3059 .5113 .1989 .6777 .5223 .5871 .3326 33 LYS 33 .8536 -1.3520 999.9900 -.0397 .7460 .0336 .6737 .1600 .3740 .1431 34 ALA 34 .5364 999.9900 999.9900 999.9900 .7458 .6411 .6678 .3363 .4744 .5716 35 ASN 35 .6990 -.8278 999.9900 999.9900 .7518 .2077 .6780 .3882 .5090 .3379 36 GLU 36 .8604 -.8493 999.9900 -1.0323 .6899 -.0828 .6745 .5197 .5842 .1438 37 SER 37 .2458 999.9900 -.7153 999.9900 .6705 .0670 .6770 .5321 .5925 .2820 38 LYS 38 -1.0405 -.9951 999.9900 -.4035 .7460 -.4193 .6686 .1523 .3674 -.1822 39 THR 39 -.1996 999.9900 -.8810 999.9900 .4476 -.2110 .6515 -.2666 .1159 -.0496 40 LEU 40 -.3571 -3.3760 999.9900 999.9900 .9565 -.9255 .6740 .1527 .3699 -.3900 41 VAL 41 .0764 999.9900 -1.0788 999.9900 .7810 -.0738 .6623 .1240 .3483 .1130 42 VAL 42 .1158 999.9900 -.0276 999.9900 .7810 .2898 .6579 .1263 .3478 .3307 43 VAL 43 .2313 999.9900 -.0276 999.9900 .7810 .3283 .6565 .1216 .3445 .3526 44 ASP 44 -.2609 -1.2961 999.9900 999.9900 .8104 -.2489 .6774 .3917 .5107 .0645 45 PHE 45 .0490 -.1035 999.9900 999.9900 .7573 .2343 .6743 .1105 .3454 .2975 46 THR 46 -1.0935 999.9900 -.8810 999.9900 .4476 -.5090 .6551 -.2708 .1150 -.2285 47 ALA 47 -.7246 999.9900 999.9900 999.9900 .7458 .0106 .6729 .3204 .4673 .2536 48 SER 48 .6980 999.9900 -.7153 999.9900 .6705 .2177 .6713 .5322 .5901 .3713 49 TRP 49 -1.3140 -1.6686 999.9900 999.9900 .9378 -.6816 .6773 .1967 .3970 -.2342 50 CYS 50 -1.0658 -2.0054 999.9900 .2382 .9108 -.4805 .6839 .3173 .4700 -.1535 51 GLY 51 -1.6434 999.9900 999.9900 999.9900 .7883 -.4276 .3535 .4714 .4190 -.0076 52 PRO 52 -.4052 999.9900 999.9900 999.9900 .4496 .0222 .5552 -.3518 .0261 .0620 53 CYS 53 1.1322 -1.5342 999.9900 .2382 .9108 .1868 .6767 .3165 .4666 .2901 54 ARG 54 .6041 .1080 999.9900 1.3917 .8581 .8707 .6783 .5226 .5875 .7935 55 PHE 55 -1.4579 -1.9363 999.9900 999.9900 .7573 -.8790 .6814 .0925 .3379 -.3726 56 ILE 56 -1.5964 -2.4201 999.9900 999.9900 .6034 -1.1377 .6570 .0343 .2938 -.5443 57 ALA 57 .3637 999.9900 999.9900 999.9900 .7458 .5548 .4801 .3122 .3821 .4754 58 PRO 58 -.4052 999.9900 999.9900 999.9900 .4496 .0222 .5394 -.3873 -.0012 .0491 59 PHE 59 .4032 -1.3471 999.9900 999.9900 .7573 -.0622 .6806 .0955 .3393 .1179 60 PHE 60 .6090 .1483 999.9900 999.9900 .7573 .5049 .6791 .1067 .3452 .4601 61 ALA 61 .3637 999.9900 999.9900 999.9900 .7458 .5548 .6676 .3188 .4641 .5240 62 ASP 62 1.0149 -1.8420 999.9900 999.9900 .8104 -.0056 .6770 .3821 .5050 .2085 63 LEU 63 .4996 -2.2115 999.9900 999.9900 .9565 -.2518 .6813 .1576 .3758 .0167 64 ALA 64 .0470 999.9900 999.9900 999.9900 .7458 .3964 .6614 .3304 .4683 .4461 65 LYS 65 .4938 -2.4344 999.9900 -.0770 .7460 -.2697 .6792 .1632 .3782 -.0723 66 LYS 66 .0419 -1.5020 999.9900 -.4035 .7460 -.3042 .6715 .1613 .3739 -.0983 67 LEU 67 -2.8468 -2.5464 999.9900 999.9900 .9565 -1.4789 .4845 .1513 .2901 -.7602 68 PRO 68 -.4052 999.9900 999.9900 999.9900 .4496 .0222 .5413 -.3856 .0006 .0500 69 ASN 69 -.3482 -2.7010 999.9900 999.9900 .7518 -.7658 .6774 .3827 .5055 -.2475 70 VAL 70 -.3682 999.9900 .1416 999.9900 .7810 .1848 .6610 .1121 .3408 .2655 71 LEU 71 -.1775 -2.9612 999.9900 999.9900 .9565 -.7274 .6779 .1601 .3758 -.2688 72 PHE 72 .0966 -1.0645 999.9900 999.9900 .7573 -.0702 .6808 .1138 .3501 .1168 73 LEU 73 -.6392 -2.5464 999.9900 999.9900 .9565 -.7430 .6763 .1548 .3721 -.2796 74 LYS 74 -.3286 -1.1257 999.9900 -.4035 .7460 -.3031 .6714 .1560 .3707 -.0983 75 VAL 75 .5686 999.9900 .2799 999.9900 .7810 .5432 .6623 .1266 .3498 .4837 76 ASP 76 .0771 -2.1980 999.9900 999.9900 .8104 -.4369 .6796 .3765 .5028 -.0509 77 THR 77 .4802 999.9900 .6346 999.9900 .4476 .5208 .6546 -.2491 .1275 .3936 78 ASP 78 .8349 -1.0785 999.9900 999.9900 .8104 .1889 .6694 .3730 .4965 .3218 79 GLU 79 -2.2616 -2.1111 999.9900 -1.0323 .6899 -1.1788 .6696 .5299 .5881 -.5859 80 LEU 80 -2.3851 -2.0611 999.9900 999.9900 .9565 -1.1632 .6820 .1600 .3775 -.5295 81 LYS 81 .6780 -2.1617 999.9900 .1140 .7460 -.1019 .6772 .1541 .3721 .0460 82 SER 82 1.1864 999.9900 -.7153 999.9900 .6705 .3805 .6802 .5208 .5873 .4685 83 VAL 83 .2188 999.9900 -1.0788 999.9900 .7810 -.0263 .6581 .1226 .3457 .1404 84 ALA 84 .6648 999.9900 999.9900 999.9900 .7458 .7053 .6708 .3298 .4719 .6028 85 SER 85 1.0911 999.9900 -.7153 999.9900 .6705 .3488 .6768 .5390 .5964 .4524 86 ASP 86 .9921 -.3845 999.9900 999.9900 .8104 .4727 .6675 .3797 .4996 .4930 87 TRP 87 -1.3140 -.0877 999.9900 999.9900 .9378 -.1546 .6754 .1860 .3899 .0795 88 ALA 88 -1.6732 999.9900 999.9900 999.9900 .7458 -.4637 .6589 .3228 .4628 .0135 89 ILE 89 -1.5964 -.4959 999.9900 999.9900 .6034 -.4963 .6529 .0322 .2908 -.1608 90 GLN 90 -1.4152 -1.9601 999.9900 1.3059 .5113 -.3895 .6743 .5103 .5786 -.0622 91 ALA 91 -1.0624 999.9900 999.9900 999.9900 .7458 -.1583 .6676 .3149 .4619 .1665 92 MET 92 -.6588 -2.5481 999.9900 .9587 -1.9874 -1.0589 .4959 .5168 .5081 -.5372 93 PRO 93 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5505 -.3696 .0138 .2626 94 THR 94 .4909 999.9900 -.8810 999.9900 .4476 .0192 .6560 -.2296 .1394 .0968 95 PHE 95 -.2255 -.3840 999.9900 999.9900 .7573 .0493 .6729 .1078 .3433 .1857 96 MET 96 -.2520 -2.0676 999.9900 .9587 .5203 -.2101 .6815 .5292 .5926 .0617 97 PHE 97 -.8057 -4.3038 999.9900 999.9900 .7573 -1.4507 .6778 .1122 .3479 -.7124 98 LEU 98 -1.1512 -2.9612 999.9900 999.9900 .9565 -1.0520 .6756 .1664 .3786 -.4628 99 LYS 99 -.3099 .5085 999.9900 -.4035 .7460 .0275 .6779 .1487 .3692 .1377 100 GLU 100 -1.4621 -2.3808 999.9900 .3501 .6899 -.7007 .6794 .5237 .5886 -.2666 101 GLY 101 1.1139 999.9900 999.9900 999.9900 .7883 .9511 .5811 .4699 .5193 .7383 102 LYS 102 -.3543 -1.2879 999.9900 -.4035 .7460 -.3406 .6769 .1683 .3802 -.1226 103 ILE 103 -1.3252 .5468 999.9900 999.9900 .6034 -.0583 .6565 .0392 .2964 .1041 104 LEU 104 -2.1729 -.9670 999.9900 999.9900 .9565 -.7278 .6728 .1542 .3703 -.2713 105 ASP 105 -.9091 -2.3194 999.9900 999.9900 .8104 -.8060 .6793 .3832 .5066 -.2711 106 LYS 106 -1.0774 -2.9005 999.9900 -.0397 .7460 -.6623 .6746 .1619 .3755 -.3535 107 VAL 107 .0764 999.9900 1.1129 999.9900 .7810 .6568 .6529 .1292 .3475 .5505 108 VAL 108 .3372 999.9900 -1.0788 999.9900 .7810 .0132 .6619 .1239 .3481 .1651 109 GLY 109 -.5417 999.9900 999.9900 999.9900 .7883 .1233 .5871 .4745 .5245 .3270 110 ALA 110 -1.4499 999.9900 999.9900 999.9900 .7458 -.3521 .6666 .3265 .4682 .0722 111 LYS 111 -.4529 -.9566 999.9900 -.4035 .7460 -.2941 .6804 .1615 .3777 -.0898 112 LYS 112 1.0838 -1.6955 999.9900 .2495 .7460 .1267 .6770 .1526 .3711 .2090 113 ASP 113 1.0815 -3.1847 999.9900 999.9900 .8104 -.4309 .6765 .3823 .5049 -.0468 114 GLU 114 .6116 -.6255 999.9900 1.1588 .6899 .4587 .6777 .5188 .5850 .5052 115 LEU 115 .2355 -2.3037 999.9900 999.9900 .9565 -.3706 .6738 .1502 .3684 -.0575 116 GLN 116 .1632 -2.6982 999.9900 1.3059 .5113 -.1795 .6750 .5212 .5853 .0797 117 SER 117 .9076 999.9900 -.7153 999.9900 .6705 .2876 .6783 .5357 .5951 .4154 118 THR 118 .8748 999.9900 -.8810 999.9900 .4476 .1471 .6640 -.2570 .1268 .1697 119 ILE 119 .6852 .8778 999.9900 999.9900 .6034 .7221 .6603 .0575 .3086 .5768 120 ALA 120 .5364 999.9900 999.9900 999.9900 .7458 .6411 .6584 .3345 .4695 .5688 121 LYS 121 1.0429 -2.9005 999.9900 .2868 .7460 -.1076 .6763 .1708 .3814 .0441 122 HIS 122 .8571 .2086 999.9900 999.9900 .6686 .5781 .6792 .3131 .4657 .5453 123 LEU 123 -.4979 -3.3760 999.9900 999.9900 .9565 -.9725 .6757 .1469 .3673 -.4189 124 ALA 124 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .6636 .2430 .4233 .4533 Means: -.3303 -1.6775 -.4609 .1958 .7026 -.2208 .6586 .2405 .4152 .0390 2.00 analyzed_11