1 GLU 1 999.9900 -1.6501 999.9900 1.7325 .6899 .2574 .6771 .5156 .5890 .3930 2 ALA 2 -.9131 999.9900 999.9900 999.9900 .7458 -.0837 .6589 .3261 .4648 .2044 3 GLU 3 -3.2255 -2.3808 999.9900 1.1588 .6899 -.9394 .6771 .5247 .5882 -.4260 4 VAL 4 -2.5638 999.9900 -1.0788 999.9900 .7810 -.9538 .6561 .1164 .3412 -.4178 5 HIS 5 -.2681 -3.1083 999.9900 999.9900 .6686 -.9026 .6775 .3200 .4690 -.3421 6 ASN 6 -3.4329 -1.4522 999.9900 999.9900 .7518 -1.3777 .6786 .3921 .5115 -.6125 7 GLN 7 -1.6601 -.9251 999.9900 1.3059 .5113 -.1920 .6736 .5257 .5873 .0719 8 LEU 8 -.0766 -2.5464 999.9900 999.9900 .9565 -.5555 .6826 .1637 .3799 -.1640 9 GLU 9 -.4497 -2.8418 999.9900 -1.0323 .6899 -.9085 .6831 .5246 .5906 -.4044 10 ILE 10 -.1535 -.3653 999.9900 999.9900 .6034 .0282 .6533 .0438 .2977 .1563 11 LYS 11 -.1715 -2.9005 999.9900 -.0397 .7460 -.4811 .6800 .1551 .3738 -.2243 12 PHE 12 .0490 .3647 999.9900 999.9900 .7573 .3903 .6744 .0941 .3359 .3879 13 ARG 13 -.8609 -2.0954 999.9900 1.0005 .8581 -.0194 .6744 .5186 .5835 .1565 14 LEU 14 -3.0384 -1.6805 999.9900 999.9900 .9565 -1.2541 .6809 .1742 .3853 -.5815 15 THR 15 .4802 999.9900 -.8810 999.9900 .4476 .0156 .6565 -.2576 .1233 .0891 16 ASP 16 .0771 -2.1980 999.9900 999.9900 .8104 -.4369 .6811 .3940 .5136 -.0471 17 GLY 17 1.0314 999.9900 999.9900 999.9900 .7883 .9098 .5852 .4697 .5210 .7186 18 SER 18 .2908 999.9900 -.7153 999.9900 .6705 .0820 .6731 .5281 .5885 .2894 19 ASP 19 -.9509 -1.7105 999.9900 999.9900 .8104 -.6170 .6735 .3825 .5038 -.1590 20 ILE 20 -.2252 -3.0500 999.9900 999.9900 .6034 -.8906 .6607 .0506 .3048 -.3921 21 GLY 21 -1.5291 999.9900 999.9900 999.9900 .7883 -.3704 .3517 .4825 .4244 .0234 22 PRO 22 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5421 -.3696 .0103 .2491 23 LYS 23 -.3414 -1.5918 999.9900 -.4035 .7460 -.3988 .6761 .1551 .3722 -.1662 24 ALA 24 -.7342 999.9900 999.9900 999.9900 .7458 .0058 .6605 .3200 .4619 .2480 25 PHE 25 -.4041 .0765 999.9900 999.9900 .7573 .1433 .5075 .0983 .2688 .2071 26 PRO 26 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5431 -.3838 .0024 .2572 27 ASP 27 .2994 -2.4630 999.9900 999.9900 .8104 -.4511 .6775 .3876 .5084 -.0576 28 ALA 28 -.8750 999.9900 999.9900 999.9900 .7458 -.0646 .6684 .3176 .4638 .2142 29 THR 29 -.3846 999.9900 -.8810 999.9900 .4476 -.2727 .6574 -.2519 .1269 -.0825 30 THR 30 -.6210 999.9900 -.8810 999.9900 .4476 -.3515 .6556 -.2488 .1281 -.1295 31 VAL 31 -1.6906 999.9900 .1416 999.9900 .7810 -.2560 .6559 .1204 .3435 .0017 32 SER 32 .8349 999.9900 -.7153 999.9900 .6705 .2633 .6711 .5276 .5874 .3978 33 ALA 33 .5364 999.9900 999.9900 999.9900 .7458 .6411 .6612 .3253 .4653 .5672 34 LEU 34 .8182 -1.9410 999.9900 999.9900 .9565 -.0554 .6811 .1610 .3777 .1352 35 LYS 35 .6751 -1.2879 999.9900 -.0397 .7460 .0108 .6760 .1606 .3754 .1272 36 GLU 36 .6116 -.0757 999.9900 -1.0323 .6899 .0484 .6738 .5285 .5890 .2326 37 THR 37 .9379 999.9900 -.8810 999.9900 .4476 .1682 .6616 -.2608 .1235 .1810 38 VAL 38 1.0462 999.9900 .1416 999.9900 .7810 .6563 .6569 .1297 .3494 .5511 39 ILE 39 .4667 .0606 999.9900 999.9900 .6034 .3769 .6588 .0427 .2994 .3664 40 SER 40 1.1864 999.9900 -.7153 999.9900 .6705 .3805 .6758 .5330 .5925 .4701 41 GLU 41 -.3012 -2.3808 999.9900 -1.0323 .6899 -.7561 .6708 .5239 .5851 -.3049 42 TRP 42 -.4195 -3.3859 999.9900 999.9900 .9378 -.9559 .4825 .1892 .3115 -.4392 43 PRO 43 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5439 -.3699 .0109 .1589 44 ARG 44 -.6927 -2.3766 999.9900 .1593 .8581 -.3785 .6733 .5065 .5760 -.1018 45 GLU 45 -.6642 -1.9198 999.9900 -1.0323 .6899 -.7316 .6791 .5149 .5833 -.2887 46 LYS 46 -3.5196 -2.1617 999.9900 .2868 .7460 -.8723 .6782 .1441 .3666 -.5056 47 GLU 47 -3.2255 -.5578 999.9900 -1.0323 .6899 -1.0314 .6749 .5159 .5821 -.4892 48 ASN 48 -2.3558 -2.3357 999.9900 999.9900 .7518 -1.3132 .6767 .3831 .5054 -.5760 49 GLY 49 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .3578 .4794 .4253 -.4652 50 PRO 50 -1.1662 999.9900 999.9900 999.9900 .4496 -.3583 .5486 -.3562 .0208 -.1311 51 LYS 51 -3.0472 -1.9682 999.9900 -.4035 .7460 -1.0153 .6781 .1661 .3794 -.6046 52 THR 52 .2328 999.9900 -.8810 999.9900 .4476 -.0669 .6600 -.2625 .1219 .0394 53 VAL 53 -.1888 999.9900 -1.0788 999.9900 .7810 -.1622 .6591 .1296 .3502 .0604 54 LYS 54 -.4018 -1.8181 999.9900 .4778 .7460 -.1037 .6752 .1624 .3761 .0456 55 GLU 55 -1.4314 -.0067 999.9900 -1.0323 .6899 -.4451 .6728 .5198 .5835 -.0980 56 VAL 56 -.0346 999.9900 -1.0788 999.9900 .7810 -.1108 .6536 .1056 .3339 .0854 57 LYS 57 -.2512 -.7357 999.9900 -.4035 .7460 -.2096 .6771 .1450 .3667 -.0323 58 LEU 58 -.0536 -2.9612 999.9900 999.9900 .9565 -.6861 .6794 .1530 .3723 -.2452 59 ILE 59 .1962 .6122 999.9900 999.9900 .6034 .4706 .6622 .0335 .2955 .4215 60 SER 60 -1.2119 999.9900 -.7153 999.9900 .6705 -.4189 .6757 .5215 .5857 -.0119 61 ALA 61 -1.7824 999.9900 999.9900 999.9900 .7458 -.5183 .6758 .3205 .4686 -.0101 62 GLY 62 .1572 999.9900 999.9900 999.9900 .7883 .4727 .5888 .4689 .5222 .5008 63 LYS 63 -.3099 .0465 999.9900 .1731 .7460 .1658 .6734 .1545 .3707 .2367 64 VAL 64 -.4485 999.9900 .7395 999.9900 .7810 .3573 .6597 .1164 .3428 .3696 65 LEU 65 -.3691 -2.9612 999.9900 999.9900 .9565 -.7913 .6751 .1598 .3745 -.3078 66 GLU 66 -.4269 -1.6501 999.9900 .3501 .6899 -.2593 .6790 .5219 .5874 .0273 67 ASN 67 .6639 1.1701 999.9900 999.9900 .7518 .8620 .6734 .3798 .5022 .7278 68 SER 68 .1093 999.9900 -.7153 999.9900 .6705 .0215 .6803 .5384 .5976 .2566 69 LYS 69 -.9723 -1.2293 999.9900 -.0770 .7460 -.3219 .6744 .1523 .3699 -.1118 70 THR 70 -.6608 999.9900 -.8810 999.9900 .4476 -.3648 .6602 -.2658 .1201 -.1400 71 VAL 71 .5646 999.9900 -1.0788 999.9900 .7810 .0890 .6621 .1199 .3458 .2098 72 LYS 72 .9480 -.8858 999.9900 -.4035 .7460 .0002 .6807 .1502 .3713 .1189 73 ASP 73 .2251 -1.4116 999.9900 999.9900 .8104 -.1254 .6733 .3772 .5006 .1349 74 TYR 74 -1.4375 -1.6992 999.9900 999.9900 .5630 -.8579 .6827 -.1789 .1801 -.4140 75 ARG 75 -2.9267 -2.8571 999.9900 1.0005 .8581 -.5849 .6787 .5234 .5881 -.2461 76 SER 76 -.7443 999.9900 -.7153 999.9900 .6705 -.2630 .4843 .5300 .5110 .0450 77 PRO 77 -3.8843 999.9900 999.9900 999.9900 .4496 -1.7173 .5368 -.3803 .0018 -.8195 78 VAL 78 -3.0988 999.9900 -1.0788 999.9900 .7810 -1.1322 .6579 .1131 .3401 -.5251 79 SER 79 -2.3021 999.9900 -.7153 999.9900 .6705 -.7823 .6726 .5385 .5944 -.2272 80 ASN 80 -.9968 -2.0766 999.9900 999.9900 .7518 -.7738 .6833 .3854 .5095 -.2506 81 LEU 81 -2.4740 -3.3760 999.9900 999.9900 .9565 -1.6312 .6755 .1561 .3726 -.8124 82 ALA 82 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6704 .3183 .4650 -.4325 83 GLY 83 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5758 .4692 .5166 -.4133 84 ALA 84 -.9001 999.9900 999.9900 999.9900 .7458 -.0772 .6714 .3223 .4678 .2098 85 VAL 85 -1.1433 999.9900 .5873 999.9900 .7810 .0750 .6539 .1197 .3423 .1997 86 THR 86 .2184 999.9900 .7650 999.9900 .4476 .4770 .6538 -.2529 .1249 .3664 87 THR 87 .2184 999.9900 1.6096 999.9900 .4476 .7585 .6588 -.2748 .1142 .5319 88 MET 88 -.2651 .9442 999.9900 1.7963 .5203 .7489 .6831 .5113 .5828 .6983 89 HIS 89 -.2420 .5126 999.9900 999.9900 .6686 .3131 .6704 .3217 .4670 .3863 90 VAL 90 .0815 999.9900 .8662 999.9900 .7810 .5762 .6583 .1224 .3457 .5019 91 ILE 91 .5210 -3.0500 999.9900 999.9900 .6034 -.6419 .6580 .0391 .2970 -.2457 92 ILE 92 .1597 -3.0500 999.9900 999.9900 .6034 -.7623 .6616 .0527 .3064 -.3145 93 GLN 93 -1.2769 -2.6982 999.9900 1.3059 .5113 -.5395 .6746 .5144 .5812 -.1615 94 ALA 94 -.9610 999.9900 999.9900 999.9900 .7458 -.1076 .4791 .3223 .3876 .1465 95 PRO 95 -.2966 999.9900 999.9900 999.9900 .4496 .0765 .5320 -.3666 .0079 .0796 96 VAL 96 -3.8060 999.9900 .3968 999.9900 .7810 -.8761 .6550 .1225 .3444 -.3701 97 THR 97 -4.2065 999.9900 -.8810 999.9900 .4476 -1.5467 .6595 -.2521 .1277 -.8465 98 GLU 98 -2.3953 .5461 999.9900 .3501 .6899 -.2023 .6729 .5246 .5864 .0647 99 LYS 99 -2.0221 -2.9005 999.9900 -.4035 .7460 -.9967 .6728 .1551 .3708 -.5937 100 GLU 100 -1.3743 -1.6501 999.9900 -1.0323 .6899 -.8417 .6779 .5193 .5854 -.3616 101 LYS 101 999.9900 -2.9005 999.9900 .4411 999.9900 -.6727 .6785 -.0323 .2723 -.2744 Means: -.8207 -1.6170 -.4193 .0796 .6979 -.3330 .6479 .2055 .3905 -.0414 2.00 analyzed_18