1 MET 1 999.9900 -2.5481 999.9900 .9587 .5203 -.3564 .6771 .5036 .5825 .0223 2 ALA 2 -1.9174 999.9900 999.9900 999.9900 .7458 -.5858 .6667 .3297 .4702 -.0438 3 ASP 3 -1.5723 -2.1980 999.9900 999.9900 .8104 -.9866 .6753 .3789 .5024 -.3811 4 THR 4 -1.9480 999.9900 -.8810 999.9900 .4476 -.7938 .6649 -.2656 .1221 -.3964 5 GLY 5 -.1741 999.9900 999.9900 999.9900 .7883 .3071 .5792 .4720 .5196 .4163 6 GLU 6 -3.2255 -1.7714 999.9900 -1.0323 .6899 -1.3348 .6795 .5252 .5895 -.6891 7 VAL 7 -.3161 999.9900 -.0276 999.9900 .7810 .1458 .6557 .1184 .3423 .2423 8 GLN 8 -.5881 -1.3908 999.9900 1.3059 .5113 -.0404 .6756 .5261 .5884 .1733 9 PHE 9 -.0559 -.8310 999.9900 999.9900 .7573 -.0432 .6769 .1109 .3467 .1317 10 MET 10 -.5247 -2.5481 999.9900 .9587 .5203 -.3985 .6787 .5229 .5878 -.0654 11 LYS 11 -.4160 .7114 999.9900 1.5164 .7460 .8149 .4956 .1535 .2960 .6748 12 PRO 12 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5413 -.3568 .0174 .1615 13 PHE 13 -.2457 -1.4910 999.9900 999.9900 .7573 -.3264 .6776 .1091 .3460 -.0385 14 ILE 14 -.5593 -.2165 999.9900 999.9900 .6034 -.0575 .6584 .0418 .2987 .1056 15 SER 15 .8760 999.9900 -.7153 999.9900 .6705 .2770 .6794 .5350 .5952 .4091 16 GLU 16 .4426 -.9977 999.9900 -1.0323 .6899 -.2244 .6671 .5211 .5820 .0484 17 LYS 17 -2.0221 -1.4228 999.9900 -.4035 .7460 -.7012 .6832 .1510 .3727 -.3817 18 SER 18 -.1309 999.9900 -.7153 999.9900 .6705 -.0586 .6743 .5299 .5901 .2057 19 SER 19 .7360 999.9900 -.7153 999.9900 .6705 .2304 .6801 .5294 .5922 .3801 20 LYS 20 -3.5196 -.7093 999.9900 .1731 .7460 -.6274 .6804 .1521 .3722 -.3292 21 SER 21 .0280 999.9900 -.7153 999.9900 .6705 -.0056 .6834 .5415 .6006 .2416 22 LEU 22 -.4552 -2.0611 999.9900 999.9900 .9565 -.5199 .6814 .1553 .3745 -.1446 23 GLU 23 -.7635 -1.1358 999.9900 -1.0323 .6899 -.5604 .6791 .5261 .5898 -.1728 24 ILE 24 .0718 -.5821 999.9900 999.9900 .6034 .0310 .4762 .0521 .2288 .1243 25 PRO 25 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5431 -.3637 .0141 .2509 26 LEU 26 .2872 -2.3037 999.9900 999.9900 .9565 -.3533 .6794 .1504 .3708 -.0461 27 GLY 27 .4759 999.9900 999.9900 999.9900 .7883 .6321 .5736 .4698 .5159 .5769 28 PHE 28 -.5116 -3.6820 999.9900 999.9900 .7573 -1.1454 .6764 .1064 .3439 -.5307 29 ASN 29 1.1678 -2.3357 999.9900 999.9900 .7518 -.1387 .6833 .3880 .5110 .1310 30 GLU 30 -.3012 -1.7714 999.9900 -1.0323 .6899 -.6037 .6709 .5168 .5810 -.2045 31 TYR 31 -.8584 -1.1695 999.9900 999.9900 .5630 -.4883 .6824 -.1760 .1817 -.1917 32 PHE 32 -.7450 -.7766 999.9900 999.9900 .7573 -.2548 .4742 .1086 .2609 -.0363 33 PRO 33 -1.1662 999.9900 999.9900 999.9900 .4496 -.3583 .5416 -.3721 .0086 -.1367 34 ALA 34 -1.1067 999.9900 999.9900 999.9900 .7458 -.1804 .4757 .3377 .3952 .1131 35 PRO 35 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5305 -.3909 -.0070 .2409 36 PHE 36 -.2156 -4.3038 999.9900 999.9900 .7573 -1.2540 .4945 .1196 .2758 -.6296 37 PRO 37 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5301 -.3803 -.0010 .1968 38 ILE 38 -1.6523 -.6653 999.9900 999.9900 .6034 -.5714 .6592 .0294 .2918 -.2051 39 THR 39 -.8088 999.9900 -.2947 999.9900 .4476 -.2186 .6657 -.2693 .1203 -.0519 40 VAL 40 -.3909 999.9900 .9747 999.9900 .7810 .4549 .6537 .1188 .3417 .4275 41 ASP 41 -1.4736 -1.4116 999.9900 999.9900 .8104 -.6916 .6778 .3757 .5016 -.2043 42 LEU 42 -.1897 -2.0611 999.9900 999.9900 .9565 -.4314 .6783 .1442 .3668 -.0944 43 LEU 43 -.4738 -1.5262 999.9900 999.9900 .9565 -.3478 .6722 .1627 .3750 -.0417 44 ASP 44 -.5058 -1.4542 999.9900 999.9900 .8104 -.3832 .6789 .3790 .5040 -.0183 45 TYR 45 -3.6999 -2.4815 999.9900 999.9900 .5630 -1.8728 .6780 -.1762 .1797 -1.0233 46 SER 46 -1.6828 999.9900 -.7153 999.9900 .6705 -.5759 .6729 .5271 .5879 -.1055 47 GLY 47 -.4497 999.9900 999.9900 999.9900 .7883 .1693 .5906 .4714 .5244 .3501 48 ARG 48 -.5733 -1.2607 999.9900 .6901 .8581 .0808 .6859 .5166 .5871 .2295 49 SER 49 .0374 999.9900 -.0289 999.9900 .6705 .2264 .6806 .5379 .5974 .3795 50 TRP 50 .1337 -3.3859 999.9900 999.9900 .9378 -.7715 .6744 .1825 .3875 -.2915 51 THR 51 -.2319 999.9900 -.8810 999.9900 .4476 -.2218 .6550 -.2518 .1260 -.0524 52 VAL 52 -.3909 999.9900 -1.0788 999.9900 .7810 -.2295 .6598 .1306 .3511 .0204 53 ARG 53 -.2265 -2.8571 999.9900 .1593 .8581 -.3814 .6780 .5199 .5857 -.1013 54 MET 54 -.3206 -1.1064 999.9900 .9587 .5203 .0130 .6756 .5199 .5848 .2079 55 LYS 55 -.3038 -1.3520 999.9900 .7496 .7460 .1179 .6709 .1567 .3710 .2024 56 LYS 56 -.6747 -2.9005 999.9900 -.4035 .7460 -.7272 .6761 .1501 .3693 -.4014 57 ARG 57 -1.4318 -2.3766 999.9900 .1593 .8581 -.5263 .6766 .5145 .5820 -.2058 58 GLY 58 -1.9441 999.9900 999.9900 999.9900 .7883 -.5779 .5728 .4652 .5130 -.0295 59 GLU 59 -1.0162 -1.1891 999.9900 -1.0323 .6899 -.6369 .6779 .5234 .5878 -.2244 60 LYS 60 -.2799 -.0150 999.9900 -.4035 .7460 -.0712 .6769 .1506 .3699 .0674 61 VAL 61 -.1817 999.9900 .8055 999.9900 .7810 .4683 .6621 .1145 .3426 .4363 62 PHE 62 -.3916 -3.0602 999.9900 999.9900 .7573 -.8982 .6772 .0886 .3339 -.3857 63 LEU 63 -.1836 -2.9612 999.9900 999.9900 .9565 -.7294 .6747 .1597 .3742 -.2708 64 THR 64 -4.2065 999.9900 .4804 999.9900 .4476 -1.0929 .6583 -.2445 .1317 -.5729 65 VAL 65 -1.2071 999.9900 .6672 999.9900 .7810 .0804 .6624 .1269 .3501 .2061 66 GLY 66 -2.2927 999.9900 999.9900 999.9900 .7883 -.7522 .5870 .4665 .5200 -.1127 67 TRP 67 .4280 -.7344 999.9900 999.9900 .9378 .2105 .6765 .1842 .3893 .2984 68 GLU 68 .8733 -.5163 999.9900 -1.0323 .6899 .0036 .6817 .5247 .5901 .2035 69 ASN 69 .1294 1.1943 999.9900 999.9900 .7518 .6918 .6744 .3713 .4976 .6242 70 PHE 70 .8041 -3.6820 999.9900 999.9900 .7573 -.7069 .6776 .1025 .3421 -.2681 71 VAL 71 .9834 999.9900 -1.0788 999.9900 .7810 .2286 .6582 .1344 .3526 .2957 72 LYS 72 .3654 -.7632 999.9900 .1731 .7460 .1389 .6747 .1574 .3730 .2181 73 ASP 73 .9921 -2.1980 999.9900 999.9900 .8104 -.1318 .6816 .3823 .5070 .1337 74 ASN 74 .3429 -1.0148 999.9900 999.9900 .7518 .0266 .6755 .3717 .4983 .2254 75 ASN 75 -2.3558 -.9481 999.9900 999.9900 .7518 -.8507 .6781 .3801 .5042 -.2988 76 LEU 76 -2.2364 -2.7185 999.9900 999.9900 .9565 -1.3328 .6804 .1680 .3815 -.6300 77 GLU 77 -1.2742 -2.8418 999.9900 -1.0323 .6899 -1.1146 .6690 .5216 .5830 -.5446 78 ASP 78 -.4515 -1.2611 999.9900 999.9900 .8104 -.3007 .6770 .3753 .5010 .0300 79 GLY 79 -1.9441 999.9900 999.9900 999.9900 .7883 -.5779 .5686 .4685 .5130 -.0297 80 LYS 80 -.3414 -.6840 999.9900 -.4035 .7460 -.2173 .6732 .1510 .3686 -.0374 81 TYR 81 -.1271 -1.6488 999.9900 999.9900 .5630 -.4043 .6725 -.1821 .1740 -.1445 82 LEU 82 -.4552 -3.3760 999.9900 999.9900 .9565 -.9582 .6728 .1462 .3656 -.4111 83 GLN 83 -.4190 -2.6982 999.9900 1.3059 .5113 -.3250 .6743 .5170 .5825 -.0181 84 PHE 84 -.0017 -4.3038 999.9900 999.9900 .7573 -1.1827 .6762 .0866 .3323 -.5571 85 ILE 85 .0813 .9074 999.9900 999.9900 .6034 .5307 .6568 .0511 .3034 .4600 86 TYR 86 .3981 -2.2600 999.9900 999.9900 .5630 -.4330 .6809 -.1711 .1839 -.1578 87 ASP 87 -3.3417 -1.8420 999.9900 999.9900 .8104 -1.4578 .6827 .3864 .5098 -.6609 88 ARG 88 -2.9267 -1.5080 999.9900 .1593 .8581 -.6516 .6822 .5172 .5860 -.2941 89 ASP 89 -2.8635 -2.1980 999.9900 999.9900 .8104 -1.4171 .6753 .3851 .5060 -.6382 90 ARG 90 -.8418 -1.0274 999.9900 1.0856 .8581 .2320 .6767 .5204 .5855 .3367 91 THR 91 -.1996 999.9900 -.8810 999.9900 .4476 -.2110 .6580 -.2496 .1286 -.0449 92 PHE 92 .0966 .2821 999.9900 999.9900 .7573 .3787 .6777 .0979 .3395 .3823 93 TYR 93 .3730 -.2699 999.9900 999.9900 .5630 .2220 .6783 -.1636 .1872 .2362 94 VAL 94 -.9687 999.9900 .9224 999.9900 .7810 .2449 .6597 .1254 .3480 .3040 95 ILE 95 -1.5441 -.3981 999.9900 999.9900 .6034 -.4463 .6568 .0479 .3017 -.1268 96 ILE 96 .3543 -.2165 999.9900 999.9900 .6034 .2471 .6542 .0304 .2903 .2852 97 TYR 97 -.4658 -.9230 999.9900 999.9900 .5630 -.2753 .6748 -.1808 .1757 -.0664 98 GLY 98 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5964 .4847 .5344 -.4042 99 HIS 99 -3.0884 -3.1083 999.9900 999.9900 .6686 -1.8427 .6756 .3228 .4698 -.9059 100 ASN 100 -1.0675 -3.3254 999.9900 999.9900 .7518 -1.2137 .6797 .3860 .5084 -.5151 101 MET 101 -1.0204 -1.5870 999.9900 .9587 .5203 -.2821 .6756 .5161 .5826 .0106 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .6743 .2377 .4248 .3472 Means: -.7052 -1.6416 -.2499 .1468 .7095 -.3389 .6520 .2118 .3960 -.0424 2.00 analyzed_11