1 MET 1 999.9900 -2.5481 999.9900 .9587 .5203 -.3564 .6758 .5090 .5848 .0231 2 ALA 2 -1.9992 999.9900 999.9900 999.9900 .7458 -.6267 .6629 .3320 .4699 -.0646 3 ASP 3 -.6293 -2.3194 999.9900 999.9900 .8104 -.7128 .6800 .3847 .5077 -.2147 4 THR 4 .0584 999.9900 .7650 999.9900 .4476 .4237 .6509 -.2690 .1143 .3306 5 GLY 5 -.5702 999.9900 999.9900 999.9900 .7883 .1090 .5745 .4635 .5128 .3140 6 GLU 6 -1.5287 -.2670 999.9900 -1.0323 .6899 -.5345 .6757 .5210 .5854 -.1569 7 VAL 7 -.0145 999.9900 -1.0788 999.9900 .7810 -.1041 .6515 .1183 .3405 .0915 8 GLN 8 -.3535 .4660 999.9900 1.3059 .5113 .4824 .6738 .5156 .5815 .5199 9 PHE 9 -.1055 -.6612 999.9900 999.9900 .7573 -.0031 .6774 .1067 .3445 .1549 10 MET 10 -.2922 -2.0676 999.9900 .9587 .5203 -.2202 .6734 .5128 .5797 .0509 11 LYS 11 -.5771 -2.9005 999.9900 -.4035 .7460 -.7077 .4807 .1625 .2951 -.4136 12 PRO 12 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5410 -.3683 .0106 .1586 13 PHE 13 -.0803 -4.3038 999.9900 999.9900 .7573 -1.2089 .6789 .0990 .3406 -.5698 14 ILE 14 .5210 -1.4972 999.9900 999.9900 .6034 -.1243 .6621 .0445 .3018 .0668 15 SER 15 .4640 999.9900 -.7153 999.9900 .6705 .1397 .6745 .5298 .5901 .3247 16 GLU 16 -.2326 -1.9198 999.9900 1.1588 .6899 -.0759 .6755 .5250 .5877 .1495 17 LYS 17 -.5592 -1.1755 999.9900 -.4035 .7460 -.3591 .6740 .1626 .3757 -.1370 18 SER 18 -1.2908 999.9900 -.7153 999.9900 .6705 -.4452 .6769 .5296 .5910 -.0258 19 SER 19 .6980 999.9900 -.7153 999.9900 .6705 .2177 .6772 .5198 .5854 .3700 20 LYS 20 -3.5196 -.4196 999.9900 -.0770 .7460 -.6694 .6730 .1599 .3737 -.3592 21 SER 21 -.4961 999.9900 -.7153 999.9900 .6705 -.1803 .6786 .5351 .5949 .1345 22 LEU 22 -.3571 -3.3760 999.9900 999.9900 .9565 -.9255 .6774 .1431 .3658 -.3912 23 GLU 23 -.3890 -1.4588 999.9900 -1.0323 .6899 -.5475 .6735 .5205 .5843 -.1660 24 ILE 24 .2593 -.9795 999.9900 999.9900 .6034 -.0390 .4933 .0492 .2342 .0851 25 PRO 25 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5495 -.3632 .0171 .1620 26 LEU 26 .4996 -1.5262 999.9900 999.9900 .9565 -.0234 .6795 .1545 .3732 .1528 27 GLY 27 .7440 999.9900 999.9900 999.9900 .7883 .7661 .5663 .4640 .5095 .6406 28 PHE 28 -.7647 -4.3038 999.9900 999.9900 .7573 -1.4371 .6776 .1090 .3459 -.7049 29 ASN 29 -.2139 -1.2512 999.9900 999.9900 .7518 -.2378 .6768 .3843 .5062 .0696 30 GLU 30 -.2702 -1.1358 999.9900 .3501 .6899 -.0915 .6754 .5252 .5877 .1391 31 TYR 31 .3338 -2.3638 999.9900 999.9900 .5630 -.4890 .6796 -.1515 .1948 -.1878 32 PHE 32 -3.6149 .0697 999.9900 999.9900 .7573 -.9293 .4981 .0979 .2647 -.4384 33 PRO 33 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5356 -.3761 .0038 .2459 34 ALA 34 -.7637 999.9900 999.9900 999.9900 .7458 -.0090 .4736 .3328 .3915 .1971 35 PRO 35 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5496 -.3563 .0211 .2077 36 PHE 36 -1.5081 -.5729 999.9900 999.9900 .7573 -.4412 .4797 .1018 .2592 -.1484 37 PRO 37 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5393 -.3732 .0070 .2009 38 ILE 38 -1.4270 -1.4972 999.9900 999.9900 .6034 -.7736 .6574 .0430 .2990 -.3241 39 THR 39 -.5585 999.9900 -.8810 999.9900 .4476 -.3307 .6516 -.2408 .1310 -.1162 40 VAL 40 -.0582 999.9900 -1.0788 999.9900 .7810 -.1186 .6589 .1350 .3533 .0876 41 ASP 41 -.4836 -.7868 999.9900 999.9900 .8104 -.1533 .6783 .3744 .5010 .1185 42 LEU 42 -.4930 -.1732 999.9900 999.9900 .9565 .0968 .6776 .1598 .3756 .2255 43 LEU 43 -.1655 -1.9410 999.9900 999.9900 .9565 -.3833 .6768 .1571 .3736 -.0632 44 ASP 44 -1.5212 -2.4630 999.9900 999.9900 .8104 -1.0579 .6754 .3747 .5000 -.4247 45 TYR 45 -3.6999 -4.1972 999.9900 999.9900 .5630 -2.4447 .6811 -.1626 .1890 -1.3631 46 SER 46 -3.2405 999.9900 -.7153 999.9900 .6705 -1.0951 .6743 .5274 .5886 -.4167 47 GLY 47 -2.1575 999.9900 999.9900 999.9900 .7883 -.6846 .5882 .4750 .5253 -.0765 48 ARG 48 -.5733 .3075 999.9900 .1593 .8581 .1822 .6768 .5164 .5832 .3006 49 SER 49 -.0526 999.9900 -.0289 999.9900 .6705 .1964 .6746 .5337 .5924 .3595 50 TRP 50 -.2197 -1.4740 999.9900 999.9900 .9378 -.2520 .6749 .1909 .3926 .0220 51 THR 51 .1937 999.9900 -.8810 999.9900 .4476 -.0799 .6520 -.2535 .1238 .0317 52 VAL 52 -.0582 999.9900 -1.0788 999.9900 .7810 -.1186 .6533 .1235 .3443 .0842 53 ARG 53 -.5160 -2.3766 999.9900 1.2208 .8581 .0814 .6735 .5124 .5795 .2276 54 MET 54 -.1902 .1642 999.9900 .9587 .5203 .3632 .6747 .5170 .5827 .4408 55 LYS 55 -.5771 -1.6955 999.9900 -.4035 .7460 -.4667 .6751 .1527 .3704 -.2151 56 LYS 56 -.2858 -.9566 999.9900 -.4035 .7460 -.2607 .6768 .1669 .3793 -.0657 57 ARG 57 -1.5415 -.7463 999.9900 .1593 .8581 -.2222 .6781 .5274 .5902 .0135 58 GLY 58 -.5999 999.9900 999.9900 999.9900 .7883 .0942 .5818 .4694 .5194 .3099 59 GLU 59 -.6726 -.7281 999.9900 .3501 .6899 -.0902 .6788 .5236 .5882 .1403 60 LYS 60 -.1867 .8340 999.9900 -.0770 .7460 .2479 .6749 .1529 .3704 .2953 61 VAL 61 -.6656 999.9900 .7395 999.9900 .7810 .2850 .6559 .1167 .3414 .3255 62 PHE 62 -.2058 -1.5726 999.9900 999.9900 .7573 -.3403 .6760 .0903 .3344 -.0509 63 LEU 63 -.7094 -.8871 999.9900 999.9900 .9565 -.2133 .6784 .1486 .3694 .0374 64 THR 64 -4.2065 999.9900 -.2947 999.9900 .4476 -1.3512 .6543 -.2403 .1325 -.7279 65 VAL 65 -1.2071 999.9900 .5873 999.9900 .7810 .0537 .6513 .1200 .3414 .1865 66 GLY 66 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .5742 .4648 .5134 -.1577 67 TRP 67 .2222 -3.3859 999.9900 999.9900 .9378 -.7419 .6749 .1816 .3872 -.2739 68 GLU 68 1.0761 -.2670 999.9900 -1.0323 .6899 .1166 .6755 .5191 .5843 .2769 69 ASN 69 .9642 .2165 999.9900 999.9900 .7518 .6442 .6786 .3814 .5052 .5985 70 PHE 70 .8041 -.8499 999.9900 999.9900 .7573 .2372 .6762 .1204 .3520 .3016 71 VAL 71 .9834 999.9900 -1.0788 999.9900 .7810 .2286 .6576 .1286 .3490 .2944 72 LYS 72 .9480 -1.2293 999.9900 -.4035 .7460 -.0685 .6763 .1458 .3669 .0685 73 ASP 73 .9343 -3.7306 999.9900 999.9900 .8104 -.6620 .6811 .3884 .5104 -.1833 74 ASN 74 -.1320 -2.3357 999.9900 999.9900 .7518 -.5720 .6640 .3727 .4941 -.1358 75 ASN 75 -3.4329 -.9481 999.9900 999.9900 .7518 -1.2097 .6764 .3929 .5110 -.5120 76 LEU 76 -1.4617 -3.3760 999.9900 999.9900 .9565 -1.2937 .6786 .1648 .3789 -.6075 77 GLU 77 -1.3743 -2.1111 999.9900 1.1588 .6899 -.4092 .6782 .5312 .5924 -.0712 78 ASP 78 -1.0430 -1.6521 999.9900 999.9900 .8104 -.6282 .6768 .3838 .5059 -.1648 79 GLY 79 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5879 .4802 .5281 -.4075 80 LYS 80 -.4529 -1.4228 999.9900 .4405 .7460 -.0497 .6718 .1493 .3670 .0818 81 TYR 81 .5758 -.0856 999.9900 999.9900 .5630 .3511 .6785 -.1779 .1789 .3108 82 LEU 82 -.6392 -2.4128 999.9900 999.9900 .9565 -.6985 .6791 .1613 .3770 -.2510 83 GLN 83 -.1966 .3325 999.9900 1.3059 .5113 .4883 .6760 .5139 .5814 .5238 84 PHE 84 -.2457 -1.0405 999.9900 999.9900 .7573 -.1763 .6800 .0897 .3357 .0482 85 ILE 85 -.0022 -1.2776 999.9900 999.9900 .6034 -.2255 .6619 .0459 .3025 .0063 86 TYR 86 .2641 -3.5861 999.9900 999.9900 .5630 -.9197 .6806 -.1827 .1770 -.4522 87 ASP 87 -2.3854 -3.1847 999.9900 999.9900 .8104 -1.5865 .6750 .3785 .5021 -.7412 88 ARG 88 -2.9267 -1.6149 999.9900 .1593 .8581 -.6730 .6780 .5160 .5835 -.3101 89 ASP 89 -2.5838 -1.8420 999.9900 999.9900 .8104 -1.2052 .6709 .3789 .5006 -.5131 90 ARG 90 -2.0927 -.7140 999.9900 .1593 .8581 -.3260 .6751 .5165 .5826 -.0626 91 THR 91 .4909 999.9900 .2916 999.9900 .4476 .4100 .6574 -.2466 .1301 .3282 92 PHE 92 .1161 -1.8744 999.9900 999.9900 .7573 -.3337 .6851 .1125 .3511 -.0407 93 TYR 93 .3730 -1.6488 999.9900 999.9900 .5630 -.2376 .6772 -.1719 .1819 -.0415 94 VAL 94 -.0951 999.9900 .1416 999.9900 .7810 .2758 .6587 .1285 .3494 .3229 95 ILE 95 -1.5441 -1.5793 999.9900 999.9900 .6034 -.8400 .6582 .0384 .2966 -.3647 96 ILE 96 .2593 -.8547 999.9900 999.9900 .6034 .0027 .6580 .0345 .2943 .1401 97 TYR 97 -.1387 -.7135 999.9900 999.9900 .5630 -.0964 .6807 -.1785 .1795 .0426 98 GLY 98 -1.8567 999.9900 999.9900 999.9900 .7883 -.5342 .5761 .4656 .5147 -.0067 99 HIS 99 -1.4902 -1.7284 999.9900 999.9900 .6686 -.8500 .6747 .3308 .4741 -.3089 100 ASN 100 -.7402 -.8859 999.9900 999.9900 .7518 -.2914 .6759 .3784 .5023 .0360 101 MET 101 -2.6662 -2.5481 999.9900 .9587 .5203 -.9338 .6730 .5209 .5843 -.4236 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .6822 .2447 .4322 .3522 Means: -.6729 -1.5225 -.3854 .1698 .7095 -.3091 .6512 .2128 .3963 -.0240 2.00 analyzed_18