1 MET 1 999.9900 -2.0676 999.9900 .9587 .5203 -.1962 .6773 .5077 .5848 .1193 2 THR 2 .0286 999.9900 -.8810 999.9900 .4476 -.1349 .6599 -.2658 .1199 -.0021 3 GLU 3 -2.8104 -2.3808 999.9900 .3501 .6899 -1.0378 .6776 .5256 .5889 -.4913 4 VAL 4 -.7132 999.9900 -1.0788 999.9900 .7810 -.3370 .6534 .1136 .3385 -.0488 5 TYR 5 .2641 -.9900 999.9900 999.9900 .5630 -.0543 .6756 -.1712 .1817 .0683 6 ASP 6 -.1788 -2.8653 999.9900 999.9900 .8104 -.7446 .6787 .3775 .5030 -.2355 7 LEU 7 -.5127 -2.9612 999.9900 999.9900 .9565 -.8391 .6730 .1656 .3770 -.3358 8 GLU 8 -.4615 -2.3808 999.9900 .3501 .6899 -.4506 .6746 .5178 .5831 -.1017 9 ILE 9 -.1408 -.9493 999.9900 999.9900 .6034 -.1623 .6563 .0541 .3050 .0447 10 THR 10 -.5830 999.9900 -.8810 999.9900 .4476 -.3388 .6542 -.2590 .1215 -.1243 11 THR 11 -.8088 999.9900 -.8810 999.9900 .4476 -.4141 .6603 -.2538 .1271 -.1671 12 ASN 12 -.3337 -1.5725 999.9900 999.9900 .7518 -.3848 .6763 .3826 .5050 -.0191 13 ALA 13 -.8167 999.9900 999.9900 999.9900 .7458 -.0354 .6678 .3259 .4683 .2307 14 THR 14 .0347 999.9900 .2916 999.9900 .4476 .2580 .6593 -.2527 .1273 .2361 15 ASP 15 -1.2415 -3.7306 999.9900 999.9900 .8104 -1.3872 .6798 .3846 .5076 -.6194 16 PHE 16 -.9433 -.8310 999.9900 999.9900 .7573 -.3390 .4859 .0935 .2570 -.0875 17 PRO 17 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5446 -.3767 .0072 .2593 18 MET 18 -.2520 -2.5481 999.9900 .9587 .5203 -.3303 .6822 .5232 .5894 -.0193 19 GLU 19 -.4269 -1.0866 999.9900 .3501 .6899 -.1184 .6746 .5196 .5842 .1201 20 LYS 20 -.5771 -2.9005 999.9900 -.4035 .7460 -.7077 .6824 .1500 .3718 -.3866 21 LYS 21 -.3161 -.3404 999.9900 -.4035 .7460 -.1435 .6771 .1620 .3767 .0174 22 TYR 22 .3271 -.3337 999.9900 999.9900 .5630 .1855 .4865 -.1659 .1059 .1754 23 PRO 23 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5315 -.3593 .0119 .1585 24 ALA 24 -2.0946 999.9900 999.9900 999.9900 .7458 -.6744 .6637 .3133 .4593 -.0930 25 GLY 25 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5818 .4635 .5161 -.4132 26 MET 26 -1.8017 -2.0676 999.9900 .9587 .5203 -.5976 .6767 .5202 .5854 -.1989 27 SER 27 -.6561 999.9900 -.7153 999.9900 .6705 -.2336 .6712 .5256 .5862 .0992 28 LEU 28 .8475 -2.9612 999.9900 999.9900 .9565 -.3857 .6819 .1543 .3741 -.0642 29 ASN 29 .9642 -.4625 999.9900 999.9900 .7518 .4178 .6683 .3775 .4987 .4599 30 ASP 30 1.0815 -1.3712 999.9900 999.9900 .8104 .1736 .6743 .3723 .4981 .3135 31 LEU 31 .8786 -3.3760 999.9900 999.9900 .9565 -.5136 .6839 .1559 .3759 -.1402 32 LYS 32 .9451 -1.5020 999.9900 -.4035 .7460 -.1236 .6795 .1572 .3748 .0313 33 LYS 33 .9451 -2.9005 999.9900 -.0770 .7460 -.2727 .6764 .1681 .3799 -.0741 34 LYS 34 1.0429 -1.9682 999.9900 -.4035 .7460 -.1973 .6773 .1490 .3691 -.0229 35 LEU 35 .6509 -1.2483 999.9900 999.9900 .9565 .1197 .6777 .1433 .3660 .2360 36 GLU 36 .6833 -1.9198 999.9900 -1.0323 .6899 -.3947 .6822 .5165 .5856 -.0634 37 LEU 37 .8442 -2.2115 999.9900 999.9900 .9565 -.1369 .6753 .1598 .3746 .0849 38 VAL 38 .7260 999.9900 .8662 999.9900 .7810 .7911 .6599 .1192 .3445 .6305 39 VAL 39 -.6856 999.9900 .1416 999.9900 .7810 .0790 .6550 .1102 .3372 .2005 40 GLY 40 .3568 999.9900 999.9900 999.9900 .7883 .5725 .5689 .4650 .5112 .5448 41 THR 41 -1.3860 999.9900 -.2947 999.9900 .4476 -.4110 .6537 -.2630 .1190 -.1685 42 THR 42 -1.4183 999.9900 .2916 999.9900 .4476 -.2264 .6568 -.2786 .1111 -.0602 43 VAL 43 -1.1682 999.9900 -.5532 999.9900 .7810 -.3134 .6568 .1256 .3469 -.0316 44 ASP 44 .1149 -3.1847 999.9900 999.9900 .8104 -.7531 .6729 .3732 .4981 -.2427 45 SER 45 -.9964 999.9900 -.7153 999.9900 .6705 -.3471 .6734 .5268 .5879 .0318 46 MET 46 -.7980 -2.0676 999.9900 .9587 .5203 -.3466 .6727 .5180 .5825 -.0326 47 ARG 47 -.5160 -1.7413 999.9900 .1593 .8581 -.2161 .6760 .5112 .5799 .0153 48 ILE 48 -.3251 -1.5368 999.9900 999.9900 .6034 -.4195 .6503 .0313 .2892 -.1154 49 GLN 49 -.3964 -2.6982 999.9900 1.3059 .5113 -.3194 .6734 .5203 .5841 -.0140 50 LEU 50 -1.0889 -2.5464 999.9900 999.9900 .9565 -.8929 .6787 .1446 .3672 -.3711 51 PHE 51 -.2255 .8190 999.9900 999.9900 .7573 .4503 .6684 .1096 .3424 .4258 52 ASP 52 -1.8260 -2.8653 999.9900 999.9900 .8104 -1.2936 .6752 .3846 .5057 -.5642 53 GLY 53 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5846 .4721 .5221 -.4104 54 ASP 54 -3.3417 .1557 999.9900 999.9900 .8104 -.7919 .6665 .3803 .4995 -.2658 55 ASP 55 -3.3417 -2.8653 999.9900 999.9900 .8104 -1.7989 .6783 .3883 .5091 -.8660 56 GLN 56 -3.1236 -2.6982 999.9900 1.3059 .5113 -1.0012 .6714 .5210 .5837 -.4687 57 LEU 57 -.1625 -1.3019 999.9900 999.9900 .9565 -.1693 .6795 .1543 .3731 .0652 58 LYS 58 -1.4779 -1.4228 999.9900 -.4035 .7460 -.5924 .6757 .1490 .3684 -.3053 59 GLY 59 -.5999 999.9900 999.9900 999.9900 .7883 .0942 .5818 .4753 .5227 .3114 60 GLU 60 -.4615 -.7859 999.9900 -1.0323 .6899 -.3975 .6795 .5221 .5877 -.0647 61 LEU 61 -3.7702 -3.3760 999.9900 999.9900 .9565 -2.0632 .6737 .1488 .3675 -1.0734 62 THR 62 -4.2065 999.9900 -.8810 999.9900 .4476 -1.5467 .6544 -.2491 .1274 -.8469 63 ASP 63 -.1788 -2.6388 999.9900 999.9900 .8104 -.6690 .6785 .3849 .5072 -.1888 64 GLY 64 -.7504 999.9900 999.9900 999.9900 .7883 .0189 .5776 .4640 .5145 .2699 65 ALA 65 -.7537 999.9900 999.9900 999.9900 .7458 -.0040 .6719 .3198 .4665 .2460 66 LYS 66 -2.1024 -1.6955 999.9900 -.0397 .7460 -.6263 .6824 .1667 .3815 -.3261 67 SER 67 -.3889 999.9900 -.7153 999.9900 .6705 -.1446 .6762 .5327 .5925 .1550 68 LEU 68 .4996 -2.9612 999.9900 999.9900 .9565 -.5017 .6715 .1523 .3686 -.1363 69 LYS 69 .8536 -1.5020 999.9900 .4996 .7460 .2193 .6791 .1665 .3801 .2775 70 ASP 70 1.1285 -1.6521 999.9900 999.9900 .8104 .0956 .6777 .3856 .5073 .2700 71 LEU 71 -.3532 -.0413 999.9900 999.9900 .9565 .1873 .6807 .1462 .3689 .2778 72 GLY 72 1.0529 999.9900 999.9900 999.9900 .7883 .9206 .5868 .4695 .5216 .7244 73 VAL 73 -4.3409 999.9900 .3968 999.9900 .7810 -1.0544 .6549 .1142 .3395 -.4788 74 ARG 74 -2.0927 -.0662 999.9900 .1593 .8581 -.1964 .6755 .5114 .5798 .0292 75 ASP 75 -.4109 -2.6388 999.9900 999.9900 .8104 -.7464 .6816 .3828 .5073 -.2350 76 GLY 76 .6686 999.9900 999.9900 999.9900 .7883 .7284 .5745 .4678 .5152 .6248 77 TYR 77 -.4486 -2.3638 999.9900 999.9900 .5630 -.7498 .6730 -.1854 .1723 -.3524 78 ARG 78 -.2265 .0684 999.9900 1.3960 .8581 .6984 .6754 .5092 .5784 .6681 79 ILE 79 .2593 -.1188 999.9900 999.9900 .6034 .2479 .6541 .0457 .2992 .2887 80 HIS 80 -.4125 -.1773 999.9900 999.9900 .6686 .0262 .6743 .3312 .4741 .2168 81 ALA 81 -.7791 999.9900 999.9900 999.9900 .7458 -.0166 .6637 .3265 .4670 .2392 82 VAL 82 -.4049 999.9900 -1.0788 999.9900 .7810 -.2342 .6566 .1211 .3442 .0150 83 ASP 83 -.6293 -3.7306 999.9900 999.9900 .8104 -1.1832 .6763 .3908 .5097 -.4965 84 VAL 84 -.2793 999.9900 -.2457 999.9900 .7810 .0854 .6557 .1190 .3426 .2062 85 THR 85 -1.2142 999.9900 -.2947 999.9900 .4476 -.3538 .6556 -.2679 .1169 -.1347 86 GLY 86 -.2842 999.9900 999.9900 999.9900 .7883 .2520 .5799 .4615 .5141 .3864 87 GLY 87 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5831 .4665 .5183 -.4121 88 ASN 88 -.2390 -1.8756 999.9900 999.9900 .7518 -.4542 .6732 .3861 .5057 -.0607 89 GLU 89 -3.2255 .0644 999.9900 1.1588 .6899 -.3281 .6790 .5292 .5916 -.0174 90 ASP 90 999.9900 -2.1980 999.9900 999.9900 999.9900 -2.1980 .6798 .3672 .5012 -.3836 Means: -.6969 -1.7819 -.4016 .1985 .7218 -.3466 .6564 .2311 .4094 -.0401 2.00 analyzed_6