1 MET 1 999.9900 -2.0676 999.9900 .9587 .5203 -.1962 .6796 .5054 .5846 .1193 2 ALA 2 -1.6256 999.9900 999.9900 999.9900 .7458 -.4399 .6660 .3062 .4561 .0231 3 ASP 3 -1.1493 .7430 999.9900 999.9900 .8104 .1347 .6767 .3726 .4993 .2907 4 THR 4 -.3004 999.9900 -.2947 999.9900 .4476 -.0492 .6583 -.2647 .1199 .0492 5 GLY 5 -.1011 999.9900 999.9900 999.9900 .7883 .3436 .5898 .4655 .5208 .4356 6 GLU 6 -3.2255 -1.3104 999.9900 -1.0323 .6899 -1.2196 .6724 .5215 .5844 -.6141 7 VAL 7 -.3161 999.9900 -1.0788 999.9900 .7810 -.2046 .6604 .1200 .3451 .0333 8 GLN 8 -.5881 -.4358 999.9900 1.3059 .5113 .1983 .6731 .5267 .5877 .3322 9 PHE 9 -.4296 -.7766 999.9900 999.9900 .7573 -.1496 .6733 .0971 .3372 .0643 10 MET 10 -.0824 -2.5481 999.9900 .9587 .5203 -.2879 .6761 .5233 .5870 .0080 11 LYS 11 -.5771 -2.1617 999.9900 -.4035 .7460 -.5600 .4882 .1542 .2934 -.3082 12 PRO 12 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5364 -.3640 .0112 .1585 13 PHE 13 .0900 -1.3471 999.9900 999.9900 .7573 -.1666 .6803 .1105 .3479 .0582 14 ILE 14 .2768 -1.9342 999.9900 999.9900 .6034 -.3514 .6569 .0499 .3028 -.0695 15 SER 15 .1386 999.9900 -.7153 999.9900 .6705 .0313 .6804 .5385 .5976 .2625 16 GLU 16 .8171 -.8834 999.9900 .3501 .6899 .2434 .6742 .5176 .5828 .3609 17 LYS 17 -.9253 -2.9005 999.9900 -.4035 .7460 -.7774 .6811 .1569 .3753 -.4355 18 SER 18 -.5255 999.9900 -.7153 999.9900 .6705 -.1901 .6769 .5301 .5913 .1273 19 SER 19 .6370 999.9900 -.7153 999.9900 .6705 .1974 .6688 .5297 .5876 .3581 20 LYS 20 -3.5196 -1.2293 999.9900 .2495 .7460 -.7008 .6710 .1633 .3748 -.3814 21 SER 21 -.4961 999.9900 .8786 999.9900 .6705 .3510 .6757 .5270 .5889 .4511 22 LEU 22 -1.6261 -2.3037 999.9900 999.9900 .9565 -.9911 .6754 .1468 .3671 -.4302 23 GLU 23 -.4497 -.6748 999.9900 1.1588 .6899 .1810 .6774 .5248 .5884 .3210 24 ILE 24 .2593 .4202 999.9900 999.9900 .6034 .4276 .4854 .0513 .2322 .3639 25 PRO 25 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5483 -.3859 .0033 .1560 26 LEU 26 .4996 -2.9612 999.9900 999.9900 .9565 -.5017 .6784 .1533 .3721 -.1347 27 GLY 27 -.3460 999.9900 999.9900 999.9900 .7883 .2211 .5762 .4691 .5167 .3719 28 PHE 28 -1.3242 -2.1527 999.9900 999.9900 .7573 -.9065 .6743 .0980 .3381 -.3894 29 ASN 29 1.1272 -.0726 999.9900 999.9900 .7518 .6021 .6780 .3914 .5108 .5752 30 GLU 30 .0468 -1.1358 999.9900 -1.0323 .6899 -.3579 .6740 .5213 .5849 -.0394 31 TYR 31 .3338 -4.1972 999.9900 999.9900 .5630 -1.1002 .6753 -.1878 .1718 -.5626 32 PHE 32 -3.6149 -.4925 999.9900 999.9900 .7573 -1.1167 .4891 .0984 .2612 -.5525 33 PRO 33 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5513 -.3575 .0212 .2545 34 ALA 34 -.4433 999.9900 999.9900 999.9900 .7458 .1513 .4705 .3029 .3728 .2690 35 PRO 35 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5491 -.3528 .0230 .2664 36 PHE 36 -1.5081 -.7766 999.9900 999.9900 .7573 -.5091 .4765 .1034 .2589 -.1895 37 PRO 37 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5460 -.3643 .0150 .2628 38 ILE 38 .5785 -2.2551 999.9900 999.9900 .6034 -.3577 .6570 .0416 .2980 -.0749 39 THR 39 -.8088 999.9900 -.8810 999.9900 .4476 -.4141 .6660 -.2583 .1268 -.1669 40 VAL 40 -.0582 999.9900 -1.0788 999.9900 .7810 -.1186 .6570 .1289 .3489 .0860 41 ASP 41 -.4836 -.1440 999.9900 999.9900 .8104 .0609 .6781 .3848 .5070 .2492 42 LEU 42 -.1897 -.0234 999.9900 999.9900 .9565 .2478 .6828 .1702 .3838 .3193 43 LEU 43 -.1196 -1.8410 999.9900 999.9900 .9565 -.3347 .6801 .1583 .3757 -.0331 44 ASP 44 -.9954 .2313 999.9900 999.9900 .8104 .0154 .6787 .3768 .5026 .2204 45 TYR 45 -3.6999 -3.5861 999.9900 999.9900 .5630 -2.2410 .6771 -.1720 .1818 -1.2436 46 SER 46 -3.7598 999.9900 -.7153 999.9900 .6705 -1.2682 .6721 .5275 .5878 -.5210 47 GLY 47 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5837 .4645 .5175 -.4125 48 ARG 48 -.4945 -1.1946 999.9900 .6901 .8581 .1098 .6823 .5176 .5862 .2499 49 SER 49 -.4771 999.9900 -.7153 999.9900 .6705 -.1740 .6799 .5403 .5985 .1396 50 TRP 50 -.3875 -2.6463 999.9900 999.9900 .9378 -.6987 .6718 .1896 .3905 -.2469 51 THR 51 -.2319 999.9900 -.2947 999.9900 .4476 -.0263 .6536 -.2482 .1275 .0653 52 VAL 52 -.0145 999.9900 -1.0788 999.9900 .7810 -.1041 .6574 .1300 .3497 .0950 53 ARG 53 -.6502 -2.3766 999.9900 .1593 .8581 -.3700 .6773 .5249 .5884 -.0925 54 MET 54 -.1025 -1.1990 999.9900 .9587 .5203 .0444 .6775 .5071 .5781 .2270 55 LYS 55 -.6340 -1.5020 999.9900 -.4035 .7460 -.4394 .6781 .1407 .3647 -.1969 56 LYS 56 -.3543 -1.1257 999.9900 -.4035 .7460 -.3082 .6813 .1488 .3706 -.1016 57 ARG 57 -1.2223 -.3726 999.9900 .1593 .8581 -.0836 .6776 .5120 .5810 .1102 58 GLY 58 -.5999 999.9900 999.9900 999.9900 .7883 .0942 .5769 .4779 .5219 .3108 59 GLU 59 -.6726 .8693 999.9900 -1.0323 .6899 -.0364 .6767 .5129 .5812 .1740 60 LYS 60 -.4529 -1.9682 999.9900 -.4035 .7460 -.4964 .6869 .1562 .3773 -.2341 61 VAL 61 .0764 999.9900 .2799 999.9900 .7810 .3791 .6505 .1185 .3402 .3813 62 PHE 62 -.2058 -4.3038 999.9900 999.9900 .7573 -1.2508 .6772 .1076 .3450 -.5935 63 LEU 63 -.7582 -2.3037 999.9900 999.9900 .9565 -.7018 .6786 .1592 .3756 -.2535 64 THR 64 -4.2065 999.9900 .2916 999.9900 .4476 -1.1558 .6532 -.2534 .1243 -.6135 65 VAL 65 -1.2071 999.9900 -.0276 999.9900 .7810 -.1512 .6686 .1286 .3536 .0687 66 GLY 66 -2.9723 999.9900 999.9900 999.9900 .7883 -1.0920 .5846 .4771 .5248 -.2806 67 TRP 67 -.6924 -3.3859 999.9900 999.9900 .9378 -1.0468 .6724 .1828 .3868 -.4570 68 GLU 68 .6116 -2.8418 999.9900 -1.0323 .6899 -.6432 .6740 .5238 .5864 -.2291 69 ASN 69 1.1117 1.2520 999.9900 999.9900 .7518 1.0385 .6754 .3835 .5052 .8349 70 PHE 70 .6259 -.1636 999.9900 999.9900 .7573 .4065 .6741 .1103 .3452 .4008 71 VAL 71 1.0462 999.9900 -1.0788 999.9900 .7810 .2495 .6564 .1210 .3441 .3052 72 LYS 72 .6780 -.9203 999.9900 -.4035 .7460 -.0607 .6737 .1442 .3648 .0735 73 ASP 73 .9921 -2.0001 999.9900 999.9900 .8104 -.0659 .6732 .3703 .4965 .1692 74 ASN 74 -.6931 -.3904 999.9900 999.9900 .7518 -.1106 .6753 .3766 .5010 .1440 75 ASN 75 -3.4329 .5017 999.9900 999.9900 .7518 -.7264 .6773 .3767 .5020 -.2251 76 LEU 76 -3.3085 -1.9410 999.9900 999.9900 .9565 -1.4310 .6798 .1482 .3697 -.6930 77 GLU 77 -1.1136 -.9977 999.9900 .3501 .6899 -.2678 .6777 .5234 .5877 .0216 78 ASP 78 -1.5212 -1.8420 999.9900 999.9900 .8104 -.8509 .6749 .3797 .5027 -.2996 79 GLY 79 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5722 .4648 .5125 -.4153 80 LYS 80 -.7762 .3679 999.9900 -.4035 .7460 -.0939 .6796 .1621 .3777 .0532 81 TYR 81 .4225 -1.3246 999.9900 999.9900 .5630 -.1131 .6753 -.1753 .1791 .0322 82 LEU 82 -.5757 -1.9980 999.9900 999.9900 .9565 -.5391 .6746 .1632 .3763 -.1559 83 GLN 83 -.1966 -1.9601 999.9900 1.3059 .5113 -.0849 .6780 .5213 .5866 .1433 84 PHE 84 -.2457 -1.1947 999.9900 999.9900 .7573 -.2277 .6781 .0944 .3376 .0179 85 ILE 85 .2768 -1.7901 999.9900 999.9900 .6034 -.3033 .6505 .0451 .2973 -.0429 86 TYR 86 .4043 -4.1972 999.9900 999.9900 .5630 -1.0767 .6777 -.1774 .1789 -.5459 87 ASP 87 -1.7533 -.5326 999.9900 999.9900 .8104 -.4918 .6803 .3754 .5025 -.0840 88 ARG 88 -2.0927 -.8531 999.9900 .6901 .8581 -.1415 .6767 .5203 .5855 .0699 89 ASP 89 -2.8635 -1.7735 999.9900 999.9900 .8104 -1.2755 .6790 .3839 .5069 -.5527 90 ARG 90 -1.6758 -2.8571 999.9900 .1593 .8581 -.6712 .6755 .5221 .5860 -.3084 91 THR 91 .3447 999.9900 -.2947 999.9900 .4476 .1659 .6518 -.2541 .1233 .1791 92 PHE 92 .1097 -1.1403 999.9900 999.9900 .7573 -.0911 .6765 .0982 .3391 .1003 93 TYR 93 .0686 .8492 999.9900 999.9900 .5630 .4936 .6726 -.1683 .1821 .3970 94 VAL 94 -.3909 999.9900 -1.0788 999.9900 .7810 -.2295 .6596 .1230 .3466 .0188 95 ILE 95 -1.5441 -.9795 999.9900 999.9900 .6034 -.6401 .6615 .0544 .3073 -.2409 96 ILE 96 .3408 -.4698 999.9900 999.9900 .6034 .1581 .6504 .0341 .2909 .2318 97 TYR 97 .3730 -.3906 999.9900 999.9900 .5630 .1818 .6783 -.1777 .1790 .2092 98 GLY 98 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .5752 .4621 .5124 -.1582 99 HIS 99 -3.0884 -3.1083 999.9900 999.9900 .6686 -1.8427 .6722 .3256 .4700 -.9060 100 ASN 100 -2.0408 -1.8756 999.9900 999.9900 .7518 -1.0548 .6780 .3802 .5042 -.4213 101 MET 101 -2.6662 -1.7864 999.9900 .9587 .5203 -.7434 .6713 .5213 .5838 -.2969 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .6787 .2417 .4290 .3500 Means: -.7551 -1.4012 -.4833 .0703 .7095 -.3261 .6516 .2116 .3957 -.0347 2.00 analyzed_3