1 GLU 1 999.9900 -1.7714 999.9900 -1.0323 .6899 -.7046 .6744 .5137 .5867 -.1851 2 ALA 2 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6645 .3220 .4647 -.4331 3 GLU 3 -3.2255 -.5578 999.9900 1.1588 .6899 -.4837 .6750 .5270 .5886 -.1221 4 VAL 4 -1.1939 999.9900 -1.0788 999.9900 .7810 -.4972 .6590 .1344 .3530 -.1397 5 HIS 5 -.6280 -1.0384 999.9900 999.9900 .6686 -.3326 .6808 .3172 .4687 .0000 6 ASN 6 -2.5793 -2.0766 999.9900 999.9900 .7518 -1.3014 .6746 .3812 .5035 -.5696 7 GLN 7 -2.2003 -.7946 999.9900 2.7911 .5113 .0769 .6785 .5120 .5814 .2497 8 LEU 8 -.0766 -2.7185 999.9900 999.9900 .9565 -.6129 .6757 .1462 .3668 -.2033 9 GLU 9 -.4497 -2.8418 999.9900 1.1588 .6899 -.3607 .6804 .5213 .5876 -.0402 10 ILE 10 .3059 -.2124 999.9900 999.9900 .6034 .2323 .6616 .0419 .3001 .2801 11 LYS 11 -.1919 -2.9005 999.9900 -.4035 .7460 -.6307 .6793 .1593 .3760 -.3307 12 PHE 12 .0966 -.0090 999.9900 999.9900 .7573 .2816 .6764 .0993 .3398 .3241 13 ARG 13 -.4439 -1.6149 999.9900 .1593 .8581 -.1764 .6748 .5195 .5842 .0446 14 LEU 14 -1.2495 -2.9612 999.9900 999.9900 .9565 -1.0847 .6775 .1571 .3739 -.4839 15 THR 15 .4802 999.9900 -.8810 999.9900 .4476 .0156 .6551 -.2571 .1230 .0890 16 ASP 16 .0771 -2.6388 999.9900 999.9900 .8104 -.5838 .6782 .3941 .5125 -.1358 17 GLY 17 .8709 999.9900 999.9900 999.9900 .7883 .8296 .5727 .4649 .5128 .6742 18 SER 18 .2494 999.9900 -.7153 999.9900 .6705 .0682 .6741 .5312 .5907 .2820 19 ASP 19 -1.2415 -2.3194 999.9900 999.9900 .8104 -.9168 .6717 .3825 .5030 -.3393 20 ILE 20 .0813 -3.0500 999.9900 999.9900 .6034 -.7884 .6546 .0512 .3026 -.3319 21 GLY 21 -2.0431 999.9900 999.9900 999.9900 .7883 -.6274 .3534 .4782 .4227 -.1058 22 PRO 22 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5494 -.3857 .0039 .2469 23 LYS 23 -.3414 -1.9682 999.9900 -.4035 .7460 -.4741 .6796 .1570 .3747 -.2191 24 ALA 24 -.7791 999.9900 999.9900 999.9900 .7458 -.0166 .6634 .3160 .4607 .2365 25 PHE 25 -.2058 -.4548 999.9900 999.9900 .7573 .0322 .4861 .1240 .2749 .1414 26 PRO 26 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5403 -.3784 .0044 .2578 27 ASP 27 .2994 -2.8653 999.9900 999.9900 .8104 -.5852 .6775 .3777 .5026 -.1401 28 ALA 28 -.8750 999.9900 999.9900 999.9900 .7458 -.0646 .6696 .3098 .4597 .2125 29 THR 29 -.2237 999.9900 -.8810 999.9900 .4476 -.2190 .6621 -.2707 .1180 -.0532 30 THR 30 -.4146 999.9900 .2916 999.9900 .4476 .1082 .6559 -.2569 .1234 .1447 31 VAL 31 -1.6906 999.9900 -.5532 999.9900 .7810 -.4876 .6609 .1200 .3454 -.1364 32 SER 32 .9506 999.9900 .6576 999.9900 .6705 .7596 .6774 .5283 .5904 .6969 33 ALA 33 -.5981 999.9900 999.9900 999.9900 .7458 .0739 .6650 .3233 .4657 .2840 34 LEU 34 .8182 -3.3760 999.9900 999.9900 .9565 -.5337 .6823 .1674 .3819 -.1503 35 LYS 35 1.0838 -.5697 999.9900 .1731 .7460 .3213 .6788 .1651 .3792 .3500 36 GLU 36 .7157 -1.1891 999.9900 -1.0323 .6899 -.2040 .6792 .5181 .5852 .0636 37 THR 37 .8748 999.9900 -.8810 999.9900 .4476 .1471 .6594 -.2510 .1284 .1700 38 VAL 38 .7683 999.9900 -1.0788 999.9900 .7810 .1569 .6585 .1250 .3473 .2508 39 ILE 39 1.0115 .0348 999.9900 999.9900 .6034 .5499 .6626 .0334 .2955 .4691 40 SER 40 1.0911 999.9900 -.7153 999.9900 .6705 .3488 .6761 .5340 .5932 .4513 41 GLU 41 .5470 -.5367 999.9900 1.1588 .6899 .4647 .6752 .5152 .5819 .5082 42 TRP 42 -.2990 .0906 999.9900 999.9900 .9378 .2431 .4855 .1888 .3124 .2807 43 PRO 43 -.5949 999.9900 999.9900 999.9900 .4496 -.0726 .5290 -.3807 -.0016 .0008 44 ARG 44 .2784 -2.0954 999.9900 .1593 .8581 -.1281 .6789 .5148 .5832 .0791 45 GLU 45 -.1289 -1.9198 999.9900 -1.0323 .6899 -.5978 .6827 .5235 .5899 -.1975 46 LYS 46 -3.5196 -1.8181 999.9900 -.0770 .7460 -.9491 .6716 .1482 .3663 -.5608 47 GLU 47 -1.0469 -.7009 999.9900 -1.0323 .6899 -.5226 .6744 .5244 .5869 -.1486 48 ASN 48 -.2782 -.0486 999.9900 999.9900 .7518 .1417 .6771 .3833 .5057 .2971 49 GLY 49 -.3145 999.9900 999.9900 999.9900 .7883 .2369 .3463 .4674 .4136 .3219 50 PRO 50 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5549 -.3632 .0193 .2073 51 LYS 51 -2.2985 -1.6955 999.9900 -.4035 .7460 -.8110 .6810 .1482 .3702 -.4608 52 THR 52 -.4146 999.9900 -.2947 999.9900 .4476 -.0873 .6597 -.2569 .1251 .0282 53 VAL 53 .1911 999.9900 .3968 999.9900 .7810 .4563 .6612 .1213 .3462 .4303 54 LYS 54 -.4018 -.8530 999.9900 -.0397 .7460 -.1177 .6711 .1540 .3695 .0338 55 GLU 55 -1.7373 .6303 999.9900 -1.0323 .6899 -.3624 .6766 .5211 .5859 -.0419 56 VAL 56 -.0346 999.9900 .4980 999.9900 .7810 .4148 .6561 .1087 .3368 .4019 57 LYS 57 -.2512 -.9951 999.9900 1.2577 .7460 .4031 .6738 .1458 .3658 .4050 58 LEU 58 -.2443 -1.4262 999.9900 999.9900 .9565 -.2380 .6784 .1475 .3687 .0224 59 ILE 59 -.2113 .5468 999.9900 999.9900 .6034 .3130 .6562 .0372 .2951 .3265 60 SER 60 -1.1635 999.9900 .6576 999.9900 .6705 .0549 .6752 .5286 .5897 .2737 61 ALA 61 -1.6732 999.9900 999.9900 999.9900 .7458 -.4637 .6704 .3289 .4712 .0180 62 GLY 62 .5723 999.9900 999.9900 999.9900 .7883 .6803 .5877 .4739 .5245 .6055 63 LYS 63 -.1919 -1.1755 999.9900 -.4035 .7460 -.2857 .6730 .1475 .3664 -.0868 64 VAL 64 -.5725 999.9900 .8055 999.9900 .7810 .3380 .6608 .1358 .3546 .3621 65 LEU 65 -.1836 -2.3037 999.9900 999.9900 .9565 -.5103 .6725 .1667 .3774 -.1383 66 GLU 66 -.4325 -1.0866 999.9900 -1.0323 .6899 -.4654 .6779 .5209 .5863 -.1104 67 ASN 67 .6639 -.3237 999.9900 999.9900 .7518 .3640 .6816 .3918 .5125 .4331 68 SER 68 -.3100 999.9900 -.7153 999.9900 .6705 -.1183 .6722 .5296 .5890 .1694 69 LYS 69 -.8956 -.3555 999.9900 -.4035 .7460 -.2624 .6800 .1490 .3702 -.0690 70 THR 70 -.1684 999.9900 -.8810 999.9900 .4476 -.2006 .6611 -.2621 .1226 -.0406 71 VAL 71 .3707 999.9900 -.2457 999.9900 .7810 .3020 .6599 .1305 .3511 .3393 72 LYS 72 .6751 -.8858 999.9900 -.0770 .7460 .0763 .6738 .1497 .3680 .1721 73 ASP 73 .2251 -2.8653 999.9900 999.9900 .8104 -.6099 .6730 .3774 .5005 -.1559 74 TYR 74 -1.0804 -4.1972 999.9900 999.9900 .8158 -1.4873 .6771 -.1807 .1767 -.7931 75 ARG 75 -1.8488 -2.8571 999.9900 .1593 .8581 -.7058 .6771 .5184 .5845 -.3334 76 SER 76 .0135 999.9900 -.7153 999.9900 .6705 -.0104 .4872 .5377 .5167 .1987 77 PRO 77 -3.8843 999.9900 999.9900 999.9900 .4496 -1.7173 .5429 -.3525 .0206 -.8111 78 VAL 78 -4.3409 999.9900 -1.0788 999.9900 .7810 -1.5462 .6603 .1171 .3434 -.7722 79 SER 79 -1.1405 999.9900 -.0289 999.9900 .6705 -.1663 .6760 .5237 .5872 .1402 80 ASN 80 -3.4329 -2.0766 999.9900 999.9900 .7518 -1.5859 .6740 .3832 .5044 -.7401 81 LEU 81 -3.7702 -2.4128 999.9900 999.9900 .9565 -1.7422 .6797 .1490 .3701 -.8796 82 ALA 82 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6664 .3177 .4630 -.4337 83 GLY 83 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5877 .4742 .5246 -.4091 84 ALA 84 -1.1160 999.9900 999.9900 999.9900 .7458 -.1851 .6650 .3146 .4606 .1524 85 VAL 85 -.7345 999.9900 .1416 999.9900 .7810 .0627 .6568 .1243 .3462 .1939 86 THR 86 .1937 999.9900 -.8810 999.9900 .4476 -.0799 .6537 -.2535 .1245 .0321 87 THR 87 .2184 999.9900 .7650 999.9900 .4476 .4770 .6578 -.2631 .1206 .3651 88 MET 88 -.3503 .5562 999.9900 .9587 .5203 .4212 .6776 .5201 .5857 .4804 89 HIS 89 -.2950 -.7214 999.9900 999.9900 .6686 -.1159 .6800 .3299 .4758 .1324 90 VAL 90 -1.1939 999.9900 .7395 999.9900 .7810 .1089 .6537 .1299 .3482 .2220 91 ILE 91 .2866 -2.4201 999.9900 999.9900 .6034 -.5100 .6500 .0408 .2946 -.1679 92 ILE 92 -.8315 -1.4972 999.9900 999.9900 .6034 -.5751 .6510 .0479 .2992 -.2053 93 GLN 93 -1.2769 -1.3908 999.9900 1.3059 .5113 -.2126 .6800 .5317 .5935 .0602 94 ALA 94 -.9610 999.9900 999.9900 999.9900 .7458 -.1076 .4912 .3231 .3931 .1498 95 PRO 95 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5560 -.3599 .0217 .2084 96 VAL 96 -.2954 999.9900 -1.0788 999.9900 .7810 -.1977 .6520 .1151 .3388 .0348 97 THR 97 -.2075 999.9900 -.2947 999.9900 .4476 -.0182 .6541 -.2716 .1141 .0656 98 GLU 98 -3.2255 -2.8418 999.9900 -1.0323 .6899 -1.6024 .6794 .5230 .5882 -.8679 99 LYS 99 -1.7210 -1.9682 999.9900 -.4035 .7460 -.7500 .6729 .1653 .3768 -.4160 100 GLU 100 -1.0962 -2.3808 999.9900 -1.0323 .6899 -.9549 .6806 .5286 .5919 -.4350 101 LYS 101 999.9900 -2.9005 999.9900 .2495 999.9900 -.8005 .6787 -.0305 .2735 -.3506 Means: -.6672 -1.5422 -.2980 -.0145 .7005 -.2754 .6480 .2055 .3905 -.0060 2.00 analyzed_2