1 MET 1 999.9900 -2.0676 999.9900 .9587 .5203 -.1962 .6767 .5135 .5877 .1203 2 ALA 2 -2.4409 999.9900 999.9900 999.9900 .7458 -.8476 .6740 .3249 .4704 -.1741 3 ASP 3 -.2609 -3.7306 999.9900 999.9900 .8104 -1.0604 .6712 .3771 .4997 -.4265 4 THR 4 -.3275 999.9900 .0483 999.9900 .4476 .0561 .6620 -.2591 .1247 .1143 5 GLY 5 -1.2645 999.9900 999.9900 999.9900 .7883 -.2381 .5756 .4633 .5132 .1407 6 GLU 6 -3.2255 -.7859 999.9900 -1.0323 .6899 -1.0885 .6792 .5228 .5880 -.5253 7 VAL 7 -.0463 999.9900 -.2457 999.9900 .7810 .1630 .6637 .1212 .3473 .2548 8 GLN 8 -.5881 -2.6982 999.9900 1.3059 .5113 -.3673 .6745 .5276 .5888 -.0445 9 PHE 9 -.1055 -3.6820 999.9900 999.9900 .7573 -1.0101 .6741 .0856 .3308 -.4541 10 MET 10 -.2922 -1.5870 999.9900 .9587 .5203 -.1001 .6767 .5183 .5843 .1325 11 LYS 11 -.6340 .3782 999.9900 -.4035 .7460 -.0633 .4874 .1636 .2985 .0478 12 PRO 12 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5436 -.3771 .0065 .2476 13 PHE 13 -.0400 -1.8165 999.9900 999.9900 .7573 -.3664 .6713 .0927 .3338 -.0670 14 ILE 14 .5210 -1.9342 999.9900 999.9900 .6034 -.2699 .6569 .0499 .3028 -.0206 15 SER 15 .4640 999.9900 -.7153 999.9900 .6705 .1397 .6765 .5364 .5948 .3264 16 GLU 16 .0765 -2.3808 999.9900 -1.0323 .6899 -.6617 .6733 .5208 .5843 -.2421 17 LYS 17 -1.1367 -1.5918 999.9900 .1731 .7460 -.3273 .6850 .1699 .3845 -.1116 18 SER 18 -.1309 999.9900 -.0289 999.9900 .6705 .1703 .6812 .5335 .5950 .3451 19 SER 19 .7360 999.9900 -.0289 999.9900 .6705 .4592 .6765 .5298 .5909 .5168 20 LYS 20 -3.5196 -1.6955 999.9900 -.4035 .7460 -1.0552 .6726 .1613 .3744 -.6346 21 SER 21 .0280 999.9900 -.7153 999.9900 .6705 -.0056 .6792 .5274 .5907 .2380 22 LEU 22 -.6702 -3.3760 999.9900 999.9900 .9565 -1.0299 .6719 .1524 .3689 -.4531 23 GLU 23 -.4497 -2.1111 999.9900 -1.0323 .6899 -.7258 .6742 .5139 .5807 -.2859 24 ILE 24 .4877 -.9795 999.9900 999.9900 .6034 .0372 .4717 .0442 .2223 .1255 25 PRO 25 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5327 -.3984 -.0105 .1490 26 LEU 26 .4996 -2.9612 999.9900 999.9900 .9565 -.5017 .6832 .1530 .3739 -.1338 27 GLY 27 .9829 999.9900 999.9900 999.9900 .7883 .8856 .5820 .4778 .5241 .7077 28 PHE 28 -.5116 -1.4162 999.9900 999.9900 .7573 -.3901 .6732 .0995 .3385 -.0795 29 ASN 29 1.3908 -1.0148 999.9900 999.9900 .7518 .3759 .6806 .3859 .5087 .4389 30 GLU 30 .0468 -2.3808 999.9900 -1.0323 .6899 -.6691 .6765 .5232 .5871 -.2461 31 TYR 31 .3338 -4.1972 999.9900 999.9900 .5630 -1.1002 .6719 -.2003 .1631 -.5658 32 PHE 32 -3.6149 -.4925 999.9900 999.9900 .7573 -1.1167 .4938 .1071 .2683 -.5498 33 PRO 33 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5224 -.3719 .0007 .2436 34 ALA 34 -.4433 999.9900 999.9900 999.9900 .7458 .1513 .4885 .3176 .3888 .2772 35 PRO 35 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5404 -.3441 .0245 .2664 36 PHE 36 -1.3242 -.4187 999.9900 999.9900 .7573 -.3285 .5057 .0972 .2674 -.0765 37 PRO 37 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5605 -.3709 .0172 .2068 38 ILE 38 -.1493 -2.2551 999.9900 999.9900 .6034 -.6003 .6546 .0347 .2930 -.2223 39 THR 39 -.8088 999.9900 -.8810 999.9900 .4476 -.4141 .6600 -.2623 .1220 -.1689 40 VAL 40 -.0582 999.9900 .5873 999.9900 .7810 .4367 .6628 .1368 .3560 .4220 41 ASP 41 -1.0681 -1.4542 999.9900 999.9900 .8104 -.5706 .6769 .3881 .5084 -.1294 42 LEU 42 .0291 -.0234 999.9900 999.9900 .9565 .3207 .6779 .1566 .3738 .3593 43 LEU 43 -.1196 -2.4128 999.9900 999.9900 .9565 -.5253 .6782 .1523 .3714 -.1491 44 ASP 44 -1.3478 -.4801 999.9900 999.9900 .8104 -.3392 .6747 .3849 .5056 .0084 45 TYR 45 -3.6999 -2.6175 999.9900 999.9900 .5630 -1.9181 .6737 -.1715 .1807 -1.0504 46 SER 46 -3.7598 999.9900 -.7153 999.9900 .6705 -1.2682 .6806 .5371 .5969 -.5174 47 GLY 47 -1.8567 999.9900 999.9900 999.9900 .7883 -.5342 .5920 .4849 .5325 .0021 48 ARG 48 -.4155 .0684 999.9900 .1593 .8581 .1659 .6766 .5207 .5856 .2896 49 SER 49 -.5771 999.9900 1.2119 999.9900 .6705 .4351 .6694 .5235 .5843 .4996 50 TRP 50 -.0034 -.0403 999.9900 999.9900 .9378 .2980 .6760 .1869 .3907 .3514 51 THR 51 .2328 999.9900 -.8810 999.9900 .4476 -.0669 .6593 -.2494 .1292 .0418 52 VAL 52 -.0582 999.9900 -1.0788 999.9900 .7810 -.1186 .6571 .1129 .3397 .0828 53 ARG 53 -.6502 -2.8571 999.9900 .1593 .8581 -.4661 .6813 .5279 .5918 -.1602 54 MET 54 -.4857 -2.5481 999.9900 .9587 .5203 -.3887 .6696 .5164 .5802 -.0615 55 LYS 55 -.3223 -1.3520 999.9900 -.4035 .7460 -.3471 .6799 .1452 .3680 -.1300 56 LYS 56 -.1765 -1.5020 999.9900 -.0770 .7460 -.2173 .6764 .1609 .3757 -.0356 57 ARG 57 -1.7561 -2.0954 999.9900 .1593 .8581 -.5350 .6771 .5219 .5866 -.2108 58 GLY 58 -.4254 999.9900 999.9900 999.9900 .7883 .1814 .5801 .4665 .5170 .3524 59 GLU 59 -.7734 -1.7714 999.9900 .3501 .6899 -.3762 .6749 .5202 .5846 -.0516 60 LYS 60 -.2075 -1.9682 999.9900 -.4035 .7460 -.4473 .6786 .1549 .3731 -.2005 61 VAL 61 .3758 999.9900 .5873 999.9900 .7810 .5814 .6625 .1241 .3484 .5062 62 PHE 62 -.3916 -.1035 999.9900 999.9900 .7573 .0874 .6792 .0992 .3409 .2081 63 LEU 63 -.1479 -2.9612 999.9900 999.9900 .9565 -.7175 .6774 .1414 .3647 -.2668 64 THR 64 -4.2065 999.9900 -.8810 999.9900 .4476 -1.5467 .6607 -.2532 .1276 -.8465 65 VAL 65 -1.2071 999.9900 .8055 999.9900 .7810 .1265 .6555 .1245 .3457 .2319 66 GLY 66 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .5811 .4653 .5168 -.1559 67 TRP 67 -.6924 -3.3859 999.9900 999.9900 .9378 -1.0468 .6709 .1823 .3859 -.4574 68 GLU 68 .8604 -2.8418 999.9900 .3501 .6899 -.2354 .6758 .5177 .5836 .0420 69 ASN 69 1.1117 -1.0148 999.9900 999.9900 .7518 .2829 .6770 .3862 .5074 .3824 70 PHE 70 .8041 -2.5581 999.9900 999.9900 .7573 -.3322 .6765 .1126 .3476 -.0415 71 VAL 71 .9834 999.9900 -1.0788 999.9900 .7810 .2286 .6562 .1325 .3507 .2949 72 LYS 72 .6780 -.5910 999.9900 -.4035 .7460 .0052 .6779 .1543 .3724 .1226 73 ASP 73 .9921 -1.7105 999.9900 999.9900 .8104 .0307 .6744 .3853 .5058 .2303 74 ASN 74 -.1320 -3.3254 999.9900 999.9900 .7518 -.9019 .6776 .3893 .5094 -.3278 75 ASN 75 -1.1452 -1.0869 999.9900 999.9900 .7518 -.4934 .6745 .3790 .5021 -.0854 76 LEU 76 -1.7747 -3.3760 999.9900 999.9900 .9565 -1.3981 .6670 .1644 .3738 -.6726 77 GLU 77 -1.3743 -2.3808 999.9900 -1.0323 .6899 -1.0244 .6797 .5245 .5892 -.4822 78 ASP 78 -.5899 -3.7306 999.9900 999.9900 .8104 -1.1700 .6810 .3869 .5094 -.4884 79 GLY 79 -1.1609 999.9900 999.9900 999.9900 .7883 -.1863 .5869 .4664 .5200 .1702 80 LYS 80 -.5681 -1.9682 999.9900 -.4035 .7460 -.5195 .6720 .1589 .3727 -.2523 81 TYR 81 .4225 -1.6488 999.9900 999.9900 .5630 -.2211 .6781 -.1874 .1732 -.0345 82 LEU 82 -.5127 -3.3760 999.9900 999.9900 .9565 -.9774 .6726 .1623 .3749 -.4195 83 GLN 83 -.6030 -2.6982 999.9900 1.3059 .5113 -.3710 .6838 .5317 .5951 -.0448 84 PHE 84 -.2457 -3.0602 999.9900 999.9900 .7573 -.8495 .6719 .0869 .3307 -.3579 85 ILE 85 -.2299 -1.2776 999.9900 999.9900 .6034 -.3014 .6585 .0372 .2960 -.0417 86 TYR 86 .5504 -2.0063 999.9900 999.9900 .5630 -.2977 .6804 -.1846 .1758 -.0794 87 ASP 87 -1.6875 -3.1847 999.9900 999.9900 .8104 -1.3539 .6799 .3872 .5092 -.5989 88 ARG 88 -1.7561 -2.3766 999.9900 .1593 .8581 -.5912 .6733 .5121 .5793 -.2529 89 ASP 89 -3.3417 -1.5978 999.9900 999.9900 .8104 -1.3764 .6770 .3728 .4996 -.6158 90 ARG 90 -1.8488 -2.3766 999.9900 .1593 .8581 -.6097 .6836 .5194 .5878 -.2637 91 THR 91 .0102 999.9900 -.8810 999.9900 .4476 -.1411 .6598 -.2586 .1240 -.0044 92 PHE 92 -.0244 .0967 999.9900 999.9900 .7573 .2765 .6741 .1021 .3404 .3211 93 TYR 93 .3730 .3309 999.9900 999.9900 .5630 .4223 .6769 -.1699 .1829 .3548 94 VAL 94 -.6656 999.9900 .3968 999.9900 .7810 .1708 .6589 .1234 .3465 .2589 95 ILE 95 -.7007 -.2165 999.9900 999.9900 .6034 -.1046 .6543 .0334 .2921 .0748 96 ILE 96 .5210 -1.5793 999.9900 999.9900 .6034 -.1516 .6613 .0479 .3035 .0509 97 TYR 97 -.0819 .4149 999.9900 999.9900 .5630 .2987 .6700 -.1792 .1747 .2774 98 GLY 98 -2.9723 999.9900 999.9900 999.9900 .7883 -1.0920 .5743 .4746 .5189 -.2838 99 HIS 99 -3.0884 -.8163 999.9900 999.9900 .6686 -1.0787 .6787 .3249 .4723 -.4465 100 ASN 100 -2.3558 -1.3461 999.9900 999.9900 .7518 -.9834 .6748 .3841 .5052 -.3782 101 MET 101 -2.6662 -2.5481 999.9900 .9587 .5203 -.9338 .6739 .5046 .5752 -.4261 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .6796 .2576 .4385 .3556 Means: -.6350 -1.8341 -.2297 -.0275 .7095 -.3775 .6519 .2116 .3959 -.0663 2.00 analyzed_9