1 MET 1 999.9900 -2.5481 999.9900 .9587 .5203 -.3564 .6738 .5136 .5864 .0236 2 THR 2 .0466 999.9900 -.8810 999.9900 .4476 -.1289 .6567 -.2424 .1322 .0055 3 GLU 3 -1.6894 -1.4588 999.9900 -1.0323 .6899 -.8726 .6733 .5111 .5787 -.3844 4 VAL 4 -1.2342 999.9900 -.2457 999.9900 .7810 -.2330 .6566 .1256 .3468 .0167 5 TYR 5 .3730 -2.7782 999.9900 999.9900 .5630 -.6141 .6757 -.1740 .1801 -.2681 6 ASP 6 -.1788 -3.7306 999.9900 999.9900 .8104 -1.0330 .6761 .3881 .5081 -.4070 7 LEU 7 -.4738 .3561 999.9900 999.9900 .9565 .2796 .6775 .1606 .3759 .3354 8 GLU 8 -.4382 -1.4588 999.9900 -1.0323 .6899 -.5599 .6745 .5240 .5867 -.1735 9 ILE 9 .0813 -.9493 999.9900 999.9900 .6034 -.0882 .6624 .0421 .3006 .0880 10 THR 10 .1631 999.9900 -.8810 999.9900 .4476 -.0901 .6593 -.2723 .1158 .0233 11 THR 11 -.8088 999.9900 -.8810 999.9900 .4476 -.4141 .6595 -.2655 .1199 -.1696 12 ASN 12 -.6931 -1.7113 999.9900 999.9900 .7518 -.5509 .6746 .3667 .4950 -.1223 13 ALA 13 -.1584 999.9900 999.9900 999.9900 .7458 .2937 .6707 .3268 .4701 .3962 14 THR 14 .3531 999.9900 .2916 999.9900 .4476 .3641 .6555 -.2657 .1181 .2964 15 ASP 15 -.5406 -.8657 999.9900 999.9900 .8104 -.1986 .6757 .3776 .5018 .0915 16 PHE 16 -.9433 -2.4384 999.9900 999.9900 .7573 -.8748 .4945 .0975 .2629 -.4065 17 PRO 17 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5466 -.3753 .0088 .2488 18 MET 18 -.2520 -1.7864 999.9900 .9587 .5203 -.1399 .6771 .5141 .5820 .1053 19 GLU 19 -.4325 -1.0866 999.9900 .3501 .6899 -.1198 .6732 .5251 .5868 .1199 20 LYS 20 -.3223 -.4905 999.9900 .4996 .7460 .1865 .6744 .1575 .3729 .2520 21 LYS 21 -.3350 -.0243 999.9900 .3240 .7460 .2070 .6801 .1563 .3746 .2673 22 TYR 22 .1219 -1.1984 999.9900 999.9900 .5630 -.1712 .5022 -.1819 .1031 -.0387 23 PRO 23 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5539 -.3797 .0093 .1590 24 ALA 24 -1.6732 999.9900 999.9900 999.9900 .7458 -.4637 .6698 .3133 .4619 .0139 25 GLY 25 -1.9441 999.9900 999.9900 999.9900 .7883 -.5779 .5694 .4696 .5139 -.0292 26 MET 26 -2.2339 -2.5481 999.9900 .9587 .5203 -.8258 .6744 .5228 .5860 -.3510 27 SER 27 -.3889 999.9900 -.7153 999.9900 .6705 -.1446 .6791 .5343 .5946 .1559 28 LEU 28 .4996 -3.3760 999.9900 999.9900 .9565 -.6400 .6720 .1573 .3718 -.2181 29 ASN 29 .9642 -2.7010 999.9900 999.9900 .7518 -.3283 .6833 .3817 .5074 .0160 30 ASP 30 .6354 -2.0928 999.9900 999.9900 .8104 -.2157 .6723 .3853 .5049 .0821 31 LEU 31 .8786 -2.9612 999.9900 999.9900 .9565 -.3754 .6761 .1639 .3773 -.0572 32 LYS 32 1.0838 -.5697 999.9900 .1731 .7460 .3213 .6721 .1567 .3715 .3479 33 LYS 33 1.0429 -2.4344 999.9900 .1731 .7460 -.0599 .6767 .1510 .3700 .0755 34 LYS 34 1.2214 -2.1617 999.9900 -.4035 .7460 -.2002 .6785 .1650 .3789 -.0225 35 LEU 35 .8442 -1.2483 999.9900 999.9900 .9565 .1841 .6759 .1450 .3662 .2747 36 GLU 36 .8733 -1.2470 999.9900 1.7325 .6899 .5122 .6727 .5268 .5876 .5414 37 LEU 37 1.1349 -1.7167 999.9900 999.9900 .9565 .1249 .6812 .1576 .3757 .2427 38 VAL 38 -.2954 999.9900 .9224 999.9900 .7810 .4693 .6621 .1164 .3438 .4373 39 VAL 39 -1.5335 999.9900 -.2457 999.9900 .7810 -.3327 .6651 .1150 .3442 -.0436 40 GLY 40 -1.1609 999.9900 999.9900 999.9900 .7883 -.1863 .5959 .4874 .5356 .1777 41 THR 41 -3.2663 999.9900 -.8810 999.9900 .4476 -1.2333 .6566 -.2468 .1296 -.6580 42 THR 42 .3531 999.9900 .7650 999.9900 .4476 .5219 .6590 -.2543 .1262 .3941 43 VAL 43 -.8680 999.9900 .5873 999.9900 .7810 .1668 .6626 .1195 .3458 .2565 44 ASP 44 .1806 -2.4630 999.9900 999.9900 .8104 -.4907 .6802 .3831 .5069 -.0817 45 SER 45 -1.8383 999.9900 -.7153 999.9900 .6705 -.6277 .6657 .5272 .5849 -.1381 46 MET 46 -.1902 -.7184 999.9900 .9587 .5203 .1426 .6749 .5230 .5863 .2947 47 ARG 47 -.6502 -1.8960 999.9900 .1593 .8581 -.2739 .6801 .5291 .5920 -.0229 48 ILE 48 -.2252 -2.2551 999.9900 999.9900 .6034 -.6256 .6569 .0275 .2897 -.2385 49 GLN 49 -.2750 -2.2325 999.9900 1.3059 .5113 -.1726 .6736 .5324 .5912 .0859 50 LEU 50 .1006 -2.5464 999.9900 999.9900 .9565 -.4964 .6706 .1612 .3735 -.1315 51 PHE 51 -.2986 .2821 999.9900 999.9900 .7573 .2469 .6742 .0963 .3371 .3023 52 ASP 52 -3.3417 -1.9171 999.9900 999.9900 .8104 -1.4828 .6796 .3875 .5092 -.6763 53 GLY 53 -1.9441 999.9900 999.9900 999.9900 .7883 -.5779 .5882 .4835 .5300 -.0210 54 ASP 54 -3.3417 -2.8653 999.9900 999.9900 .8104 -1.7989 .6718 .3716 .4967 -.8706 55 ASP 55 -3.3417 .2313 999.9900 999.9900 .8104 -.7667 .6786 .3813 .5052 -.2480 56 GLN 56 -3.1236 -2.6982 999.9900 1.3059 .5113 -1.0012 .6738 .5240 .5864 -.4678 57 LEU 57 -.1479 -2.9612 999.9900 999.9900 .9565 -.7175 .6756 .1523 .3703 -.2649 58 LYS 58 -.3743 -1.5918 999.9900 -.4035 .7460 -.4054 .6714 .1517 .3683 -.1720 59 GLY 59 -.2180 999.9900 999.9900 999.9900 .7883 .2851 .5708 .4726 .5163 .4034 60 GLU 60 -.4615 .5461 999.9900 -1.0323 .6899 -.0645 .6750 .5214 .5854 .1564 61 LEU 61 -3.7702 -3.3760 999.9900 999.9900 .9565 -2.0632 .6788 .1530 .3721 -1.0716 62 THR 62 -4.2065 999.9900 -.8810 999.9900 .4476 -1.5467 .6513 -.2601 .1196 -.8498 63 ASP 63 -2.8635 -1.4992 999.9900 999.9900 .8104 -1.1841 .6767 .3780 .5025 -.4995 64 GLY 64 .6767 999.9900 999.9900 999.9900 .7883 .7325 .5842 .4722 .5220 .6304 65 ALA 65 -.7537 999.9900 999.9900 999.9900 .7458 -.0040 .6714 .3171 .4647 .2451 66 LYS 66 -2.1024 -2.4344 999.9900 -.4035 .7460 -.9196 .6747 .1577 .3731 -.5379 67 SER 67 -.3889 999.9900 -.7153 999.9900 .6705 -.1446 .6748 .5344 .5929 .1551 68 LEU 68 -.1625 -1.8889 999.9900 999.9900 .9565 -.3650 .6818 .1547 .3743 -.0517 69 LYS 69 .6751 -1.9682 999.9900 -.0397 .7460 -.1253 .6728 .1564 .3716 .0289 70 ASP 70 .6201 -2.6388 999.9900 999.9900 .8104 -.4028 .6774 .3839 .5062 -.0294 71 LEU 71 -.2213 -1.5540 999.9900 999.9900 .9565 -.2729 .6794 .1541 .3730 .0029 72 GLY 72 .7683 999.9900 999.9900 999.9900 .7883 .7783 .5727 .4686 .5149 .6495 73 VAL 73 -2.0685 999.9900 1.0696 999.9900 .7810 -.0726 .6561 .1252 .3464 .1127 74 ARG 74 -1.5415 -1.8960 999.9900 .6901 .8581 -.2399 .6706 .5127 .5785 -.0023 75 ASP 75 -.0277 -3.7306 999.9900 999.9900 .8104 -.9826 .6736 .3829 .5040 -.3783 76 GLY 76 .6767 999.9900 999.9900 999.9900 .7883 .7325 .5833 .4805 .5262 .6322 77 TYR 77 -.5197 -2.4815 999.9900 999.9900 .5630 -.8128 .6761 -.1731 .1807 -.3871 78 ARG 78 -.2265 -1.7413 999.9900 .1593 .8581 -.1582 .6732 .5127 .5796 .0564 79 ILE 79 .3543 -3.0500 999.9900 999.9900 .6034 -.6974 .6602 .0367 .2965 -.2791 80 HIS 80 -.1228 -.1773 999.9900 999.9900 .6686 .1228 .6830 .3174 .4697 .2738 81 ALA 81 -.6925 999.9900 999.9900 999.9900 .7458 .0266 .6658 .3094 .4579 .2571 82 VAL 82 -.4049 999.9900 -1.0788 999.9900 .7810 -.2342 .6600 .1251 .3480 .0165 83 ASP 83 -.2452 .2313 999.9900 999.9900 .8104 .2655 .6740 .3826 .5040 .3706 84 VAL 84 -1.1810 999.9900 .6672 999.9900 .7810 .0891 .6480 .1273 .3443 .2085 85 THR 85 .1579 999.9900 -.8810 999.9900 .4476 -.0918 .6533 -.2498 .1265 .0256 86 GLY 86 -.5999 999.9900 999.9900 999.9900 .7883 .0942 .5822 .4731 .5216 .3109 87 GLY 87 -.8931 999.9900 999.9900 999.9900 .7883 -.0524 .5733 .4625 .5117 .2327 88 ASN 88 -.3935 -.2921 999.9900 999.9900 .7518 .0221 .6773 .3909 .5102 .2269 89 GLU 89 -3.2255 -.4402 999.9900 -1.0323 .6899 -1.0020 .6756 .5264 .5886 -.4677 90 ASP 90 999.9900 -1.1646 999.9900 999.9900 999.9900 -1.1646 .6747 .3629 .4965 -.0423 Means: -.6021 -1.7265 -.2611 .1840 .7218 -.2993 .6570 .2320 .4102 -.0107 2.00 analyzed_2