1 MET 1 999.9900 -2.5481 999.9900 .9587 .5203 -.3564 .6734 .5076 .5830 .0224 2 ALA 2 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6581 .3173 .4593 -.4358 3 ASP 3 -1.4736 -1.6521 999.9900 999.9900 .8104 -.7718 .6787 .3837 .5066 -.2506 4 THR 4 -.2485 999.9900 .4804 999.9900 .4476 .2265 .6562 -.2576 .1231 .2156 5 GLY 5 -.2363 999.9900 999.9900 999.9900 .7883 .2760 .5679 .4592 .5075 .3948 6 GLU 6 -.6086 -2.8418 999.9900 -1.0323 .6899 -.9482 .6773 .5243 .5881 -.4319 7 VAL 7 -.3161 999.9900 -.0276 999.9900 .7810 .1458 .6586 .1381 .3550 .2468 8 GLN 8 -1.0957 -2.2325 999.9900 1.3059 .5113 -.3778 .6757 .5200 .5849 -.0526 9 PHE 9 -.6363 -.9508 999.9900 999.9900 .7573 -.2766 .6808 .0937 .3383 -.0110 10 MET 10 -.8637 1.0862 999.9900 .9587 .5203 .4254 .6781 .5070 .5783 .4811 11 LYS 11 -.7523 -1.6955 999.9900 -.0397 .7460 -.3563 .4899 .1542 .2941 -.1625 12 PRO 12 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5516 -.3855 .0050 .2475 13 PHE 13 .1032 -4.3038 999.9900 999.9900 .7573 -1.1478 .6793 .1059 .3448 -.5317 14 ILE 14 .2866 .8778 999.9900 999.9900 .6034 .5893 .6566 .0453 .3000 .4939 15 SER 15 .8760 999.9900 -.0289 999.9900 .6705 .5059 .6814 .5267 .5912 .5451 16 GLU 16 .8733 -2.1111 999.9900 -1.0323 .6899 -.3951 .6775 .5156 .5830 -.0645 17 LYS 17 -1.4779 -2.4344 999.9900 -.4035 .7460 -.7947 .6799 .1544 .3733 -.4484 18 SER 18 .1386 999.9900 -.7153 999.9900 .6705 .0313 .6714 .5280 .5878 .2586 19 SER 19 .1589 999.9900 -.7153 999.9900 .6705 .0380 .6799 .5299 .5924 .2648 20 LYS 20 -3.5196 -.7357 999.9900 .6906 .7460 -.4256 .6761 .1638 .3772 -.1840 21 SER 21 -.7443 999.9900 -.0289 999.9900 .6705 -.0342 .6817 .5353 .5963 .2229 22 LEU 22 -.3571 -3.3760 999.9900 999.9900 .9565 -.9255 .6752 .1528 .3705 -.3897 23 GLU 23 -.5578 -1.9198 999.9900 -1.0323 .6899 -.7050 .6784 .5242 .5884 -.2696 24 ILE 24 .0813 .8778 999.9900 999.9900 .6034 .5209 .4782 .0432 .2245 .4168 25 PRO 25 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5508 -.3803 .0077 .1580 26 LEU 26 -.1625 -2.5464 999.9900 999.9900 .9565 -.5841 .6729 .1560 .3714 -.1847 27 GLY 27 .1734 999.9900 999.9900 999.9900 .7883 .4808 .5849 .4679 .5199 .5036 28 PHE 28 -1.3242 -.0090 999.9900 999.9900 .7573 -.1919 .6722 .0976 .3370 .0388 29 ASN 29 .9310 -2.3357 999.9900 999.9900 .7518 -.2176 .6794 .3790 .5042 .0811 30 GLU 30 -.2127 -1.9198 999.9900 .3501 .6899 -.2731 .6686 .5169 .5801 .0155 31 TYR 31 -.0710 -2.1671 999.9900 999.9900 .5630 -.5584 .6826 -.1682 .1863 -.2321 32 PHE 32 -3.6149 -.6160 999.9900 999.9900 .7573 -1.1578 .4826 .0948 .2564 -.5792 33 PRO 33 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5451 -.3614 .0163 .2519 34 ALA 34 -.4433 999.9900 999.9900 999.9900 .7458 .1513 .4905 .3220 .3922 .2787 35 PRO 35 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5479 -.3739 .0102 .2608 36 PHE 36 -1.3242 -.9090 999.9900 999.9900 .7573 -.4920 .4882 .1071 .2659 -.1761 37 PRO 37 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5464 -.3934 -.0018 .1976 38 ILE 38 -.1493 -1.3043 999.9900 999.9900 .6034 -.2834 .6593 .0342 .2946 -.0313 39 THR 39 .5049 999.9900 -.8810 999.9900 .4476 .0238 .6522 -.2420 .1306 .0964 40 VAL 40 -.0523 999.9900 -.5532 999.9900 .7810 .0585 .6565 .1229 .3453 .1910 41 ASP 41 -1.5723 -.5463 999.9900 999.9900 .8104 -.4361 .6767 .3745 .5004 -.0514 42 LEU 42 -.1897 -2.5464 999.9900 999.9900 .9565 -.5932 .6801 .1595 .3764 -.1880 43 LEU 43 -.3896 -2.0611 999.9900 999.9900 .9565 -.4981 .6776 .1524 .3712 -.1328 44 ASP 44 -1.5212 -3.1847 999.9900 999.9900 .8104 -1.2985 .6748 .3838 .5050 -.5674 45 TYR 45 -3.1208 -2.7782 999.9900 999.9900 .5630 -1.7787 .6731 -.1839 .1732 -.9694 46 SER 46 -3.7598 999.9900 -.7153 999.9900 .6705 -1.2682 .6836 .5364 .5977 -.5169 47 GLY 47 -2.2927 999.9900 999.9900 999.9900 .7883 -.7522 .5913 .4692 .5235 -.1110 48 ARG 48 -.5733 -1.5080 999.9900 .1593 .8581 -.1809 .6825 .5132 .5837 .0416 49 SER 49 -.5771 999.9900 .8786 999.9900 .6705 .3240 .6812 .5310 .5936 .4368 50 TRP 50 -.0034 -1.9067 999.9900 999.9900 .9378 -.3241 .6782 .1887 .3927 -.0211 51 THR 51 .4171 999.9900 .7650 999.9900 .4476 .5432 .6619 -.2494 .1303 .4084 52 VAL 52 -.0145 999.9900 -.5532 999.9900 .7810 .0711 .6529 .1130 .3380 .1959 53 ARG 53 -.4439 -1.8960 999.9900 .1593 .8581 -.2326 .6747 .5205 .5848 .0046 54 MET 54 -.2651 .4901 999.9900 .9587 .5203 .4260 .6784 .5215 .5869 .4840 55 LYS 55 -.2023 -1.9682 999.9900 -.4035 .7460 -.4463 .6752 .1549 .3717 -.2002 56 LYS 56 -.3350 -2.4344 999.9900 -.4035 .7460 -.5661 .6754 .1605 .3750 -.2849 57 ARG 57 -1.7561 -.6537 999.9900 .5548 .8581 -.0884 .6815 .5211 .5879 .1086 58 GLY 58 -.5278 999.9900 999.9900 999.9900 .7883 .1302 .5662 .4650 .5100 .3229 59 GLU 59 -1.0162 -1.6501 999.9900 .3501 .6899 -.4066 .6749 .5232 .5864 -.0714 60 LYS 60 -.2075 -1.9682 999.9900 -.4035 .7460 -.4473 .6779 .1615 .3767 -.1996 61 VAL 61 .3116 999.9900 .8055 999.9900 .7810 .6327 .6559 .1307 .3495 .5369 62 PHE 62 -.3916 -.5590 999.9900 999.9900 .7573 -.0644 .6780 .1108 .3472 .1191 63 LEU 63 -.1836 .8710 999.9900 999.9900 .9565 .5480 .6752 .1578 .3734 .4954 64 THR 64 -3.2663 999.9900 -.8810 999.9900 .4476 -1.2333 .6592 -.2636 .1209 -.6609 65 VAL 65 -1.2071 999.9900 -1.0788 999.9900 .7810 -.5016 .6561 .1049 .3346 -.1488 66 GLY 66 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .5667 .4612 .5081 -.1605 67 TRP 67 -.6924 -3.3859 999.9900 999.9900 .9378 -1.0468 .6818 .1868 .3930 -.4544 68 GLU 68 .6116 -2.8418 999.9900 .3501 .6899 -.2976 .6701 .5214 .5833 .0002 69 ASN 69 1.3908 -.7732 999.9900 999.9900 .7518 .4565 .6767 .3761 .5013 .4844 70 PHE 70 .6259 -3.6820 999.9900 999.9900 .7573 -.7663 .6729 .1068 .3427 -.3038 71 VAL 71 .5646 999.9900 -1.0788 999.9900 .7810 .0890 .6549 .1229 .3445 .2089 72 LYS 72 .6780 -.8530 999.9900 -.4035 .7460 -.0472 .6767 .1586 .3745 .0856 73 ASP 73 .9921 -2.1980 999.9900 999.9900 .8104 -.1318 .6775 .3850 .5069 .1334 74 ASN 74 -.1320 -.7732 999.9900 999.9900 .7518 -.0511 .6724 .3860 .5053 .1810 75 ASN 75 -2.1824 .3778 999.9900 999.9900 .7518 -.3509 .6772 .3815 .5047 .0012 76 LEU 76 -1.6816 -2.4128 999.9900 999.9900 .9565 -1.0460 .6765 .1680 .3798 -.4587 77 GLU 77 -1.3743 -2.1111 999.9900 -1.0323 .6899 -.9570 .6752 .5210 .5853 -.4386 78 ASP 78 -1.5212 -1.2611 999.9900 999.9900 .8104 -.6573 .6740 .3820 .5037 -.1832 79 GLY 79 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5882 .4744 .5250 -.4089 80 LYS 80 -.7069 1.0562 999.9900 -.4035 .7460 .0577 .6786 .1654 .3793 .1618 81 TYR 81 -.0710 -.2907 999.9900 999.9900 .5630 .0671 .6757 -.1711 .1817 .1412 82 LEU 82 -.6392 -2.1315 999.9900 999.9900 .9565 -.6048 .6742 .1564 .3721 -.1967 83 GLN 83 -.3535 .4476 999.9900 1.3059 .5113 .4778 .6827 .5293 .5932 .5206 84 PHE 84 -.2457 -4.3038 999.9900 999.9900 .7573 -1.2641 .6773 .1161 .3499 -.5998 85 ILE 85 .2768 .4202 999.9900 999.9900 .6034 .4335 .6562 .0444 .2993 .4002 86 TYR 86 .2641 -.7659 999.9900 999.9900 .5630 .0204 .6782 -.1655 .1860 .1148 87 ASP 87 -1.7533 -2.4630 999.9900 999.9900 .8104 -1.1353 .6766 .3804 .5038 -.4698 88 ARG 88 -2.9267 -2.8571 999.9900 .5548 .8581 -.7632 .6741 .5155 .5816 -.3752 89 ASP 89 -3.3417 -1.5978 999.9900 999.9900 .8104 -1.3764 .6771 .3827 .5054 -.6139 90 ARG 90 -2.5097 -1.2607 999.9900 .1593 .8581 -.5187 .6777 .5168 .5839 -.1999 91 THR 91 .4909 999.9900 -.2947 999.9900 .4476 .2146 .6559 -.2591 .1222 .2081 92 PHE 92 .0629 .4802 999.9900 999.9900 .7573 .4335 .6864 .1005 .3446 .4175 93 TYR 93 .3730 .8258 999.9900 999.9900 .5630 .5872 .6804 -.1897 .1729 .4505 94 VAL 94 .1037 999.9900 .3968 999.9900 .7810 .4272 .6612 .1209 .3460 .4127 95 ILE 95 -.6113 .0077 999.9900 999.9900 .6034 -.0001 .6537 .0375 .2943 .1382 96 ILE 96 .3408 .0077 999.9900 999.9900 .6034 .3173 .6566 .0402 .2971 .3298 97 TYR 97 .4043 -.3337 999.9900 999.9900 .5630 .2112 .6762 -.1638 .1862 .2292 98 GLY 98 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5783 .4572 .5110 -.4156 99 HIS 99 -3.0884 -1.0384 999.9900 999.9900 .6686 -1.1527 .6746 .3334 .4756 -.4900 100 ASN 100 -.9968 -1.7113 999.9900 999.9900 .7518 -.6521 .6807 .3841 .5077 -.1783 101 MET 101 -.5881 .5562 999.9900 .9587 .5203 .3618 .6772 .5291 .5908 .4422 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .6787 .2552 .4367 .3545 Means: -.6897 -1.3758 -.2156 .0770 .7095 -.2845 .6520 .2118 .3961 -.0089 2.00 analyzed_16