1 MET 1 999.9900 -1.4323 999.9900 .9587 .5203 .0156 .6750 .5046 .5821 .2453 2 ALA 2 -1.9992 999.9900 999.9900 999.9900 .7458 -.6267 .6676 .3238 .4671 -.0655 3 ASP 3 -2.5838 -.3302 999.9900 999.9900 .8104 -.7012 .6785 .3791 .5039 -.2092 4 THR 4 -.3004 999.9900 -.8810 999.9900 .4476 -.2446 .6608 -.2626 .1221 -.0671 5 GLY 5 -1.3026 999.9900 999.9900 999.9900 .7883 -.2571 .5843 .4773 .5249 .1368 6 GLU 6 -.6086 -1.1891 999.9900 .3501 .6899 -.1894 .6715 .5159 .5808 .0716 7 VAL 7 -.3161 999.9900 -1.0788 999.9900 .7810 -.2046 .6508 .1128 .3370 .0300 8 GLN 8 -.6340 -1.2219 999.9900 1.3059 .5113 -.0097 .6812 .5298 .5929 .1954 9 PHE 9 .2406 -.8310 999.9900 999.9900 .7573 .0557 .6777 .0909 .3354 .1871 10 MET 10 -.0824 -1.5870 999.9900 .9587 .5203 -.0476 .6786 .5261 .5896 .1691 11 LYS 11 -.6340 -2.9005 999.9900 .1731 .7460 -.4885 .4746 .1688 .2962 -.2570 12 PRO 12 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5309 -.3777 .0009 .1537 13 PHE 13 -.0017 -1.3471 999.9900 999.9900 .7573 -.1972 .6781 .0887 .3343 .0351 14 ILE 14 .0718 -1.2776 999.9900 999.9900 .6034 -.2008 .6568 .0522 .3041 .0213 15 SER 15 .8760 999.9900 -.7153 999.9900 .6705 .2770 .6739 .5402 .5959 .4091 16 GLU 16 .4426 1.1195 999.9900 1.1588 .6899 .8527 .6739 .5238 .5863 .7681 17 LYS 17 -2.0221 -2.1617 999.9900 -.4035 .7460 -.8490 .6780 .1594 .3755 -.4868 18 SER 18 -.1309 999.9900 -.7153 999.9900 .6705 -.0586 .6736 .5341 .5922 .2064 19 SER 19 .5661 999.9900 -.7153 999.9900 .6705 .1737 .6799 .5370 .5965 .3476 20 LYS 20 -3.5196 -1.1755 999.9900 .1140 .7460 -.7442 .6755 .1610 .3753 -.4121 21 SER 21 -.4771 999.9900 -.7153 999.9900 .6705 -.1740 .6796 .5241 .5889 .1364 22 LEU 22 .0291 -2.5464 999.9900 999.9900 .9565 -.5203 .6723 .1537 .3698 -.1470 23 GLU 23 -.5578 -2.1111 999.9900 -1.0323 .6899 -.7528 .6784 .5248 .5888 -.3014 24 ILE 24 .0813 -1.0628 999.9900 999.9900 .6034 -.1260 .4767 .0441 .2244 .0286 25 PRO 25 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5339 -.3776 .0022 .2564 26 LEU 26 .8475 -2.3037 999.9900 999.9900 .9565 -.1666 .6783 .1574 .3745 .0672 27 GLY 27 .1734 999.9900 999.9900 999.9900 .7883 .4808 .5843 .4672 .5192 .5033 28 PHE 28 -1.3242 -4.3038 999.9900 999.9900 .7573 -1.6236 .6773 .1014 .3414 -.8184 29 ASN 29 1.1678 .3778 999.9900 999.9900 .7518 .7658 .6729 .3735 .4982 .6688 30 GLU 30 -.2702 -2.3808 999.9900 .3501 .6899 -.4028 .6771 .5118 .5807 -.0704 31 TYR 31 -.5013 -4.1972 999.9900 999.9900 .5630 -1.3785 .6768 -.1892 .1716 -.7296 32 PHE 32 -3.6149 -1.5308 999.9900 999.9900 .7573 -1.4628 .4868 .1043 .2637 -.7594 33 PRO 33 -.2966 999.9900 999.9900 999.9900 .4496 .0765 .5516 -.3397 .0317 .0913 34 ALA 34 .0470 999.9900 999.9900 999.9900 .7458 .3964 .4774 .3238 .3878 .3985 35 PRO 35 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5363 -.3588 .0142 .1598 36 PHE 36 -.5560 -1.5308 999.9900 999.9900 .7573 -.4432 .5030 .0992 .2675 -.1455 37 PRO 37 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5456 -.3502 .0230 .2662 38 ILE 38 -1.4952 -2.2551 999.9900 999.9900 .6034 -1.0490 .6554 .0538 .3044 -.4875 39 THR 39 .3976 999.9900 -.8810 999.9900 .4476 -.0120 .6560 -.2559 .1240 .0728 40 VAL 40 -.3909 999.9900 -1.0788 999.9900 .7810 -.2295 .6603 .1224 .3465 .0188 41 ASP 41 -.9509 -1.0518 999.9900 999.9900 .8104 -.3974 .6778 .3841 .5065 -.0261 42 LEU 42 -.1655 -2.5464 999.9900 999.9900 .9565 -.5851 .6708 .1567 .3709 -.1856 43 LEU 43 -.4930 -1.6805 999.9900 999.9900 .9565 -.4057 .6792 .1631 .3781 -.0749 44 ASP 44 -.5058 -.4675 999.9900 999.9900 .8104 -.0543 .6800 .3800 .5050 .1794 45 TYR 45 -2.0742 -1.7527 999.9900 999.9900 .5630 -1.0880 .6764 -.1764 .1789 -.5528 46 SER 46 -1.6828 999.9900 -.7153 999.9900 .6705 -.5759 .6748 .5303 .5905 -.1045 47 GLY 47 -1.3026 999.9900 999.9900 999.9900 .7883 -.2571 .5859 .4696 .5213 .1353 48 ARG 48 -.5733 -1.5080 999.9900 .1593 .8581 -.1809 .6776 .5231 .5875 .0423 49 SER 49 -.0741 999.9900 .3727 999.9900 .6705 .3230 .6744 .5267 .5882 .4340 50 TRP 50 -.0034 -3.3859 999.9900 999.9900 .9378 -.8172 .6762 .1994 .3981 -.3152 51 THR 51 -1.0713 999.9900 .0483 999.9900 .4476 -.1918 .6544 -.2465 .1288 -.0335 52 VAL 52 -.3909 999.9900 -1.0788 999.9900 .7810 -.2295 .6635 .1312 .3530 .0212 53 ARG 53 -.4439 -2.8571 999.9900 .1593 .8581 -.4249 .6758 .5162 .5827 -.1332 54 MET 54 -.3206 -1.1064 999.9900 2.2863 .5203 .3449 .6776 .5179 .5844 .4292 55 LYS 55 -.2345 -1.0793 999.9900 -.4035 .7460 -.2749 .6787 .1488 .3696 -.0782 56 LYS 56 -.7885 -2.9005 999.9900 -.4035 .7460 -.7500 .6724 .1664 .3772 -.4159 57 ARG 57 -1.5415 -1.8960 999.9900 1.0005 .8581 -.1157 .6804 .5186 .5860 .0887 58 GLY 58 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5818 .4691 .5192 -.4118 59 GLU 59 -1.0162 -1.6501 999.9900 .3501 .6899 -.4066 .6787 .5114 .5811 -.0727 60 LYS 60 -.4760 -1.8181 999.9900 -.4035 .7460 -.4710 .6780 .1462 .3678 -.2187 61 VAL 61 -.3909 999.9900 .5873 999.9900 .7810 .3258 .6531 .1196 .3419 .3500 62 PHE 62 -.3916 -.6612 999.9900 999.9900 .7573 -.0985 .6752 .1060 .3432 .0971 63 LEU 63 -.3855 -3.3760 999.9900 999.9900 .9565 -.9350 .6835 .1523 .3736 -.3938 64 THR 64 -4.2065 999.9900 .4804 999.9900 .4476 -1.0929 .6547 -.2626 .1196 -.5773 65 VAL 65 -1.2071 999.9900 .2799 999.9900 .7810 -.0487 .6514 .1230 .3432 .1256 66 GLY 66 -2.2927 999.9900 999.9900 999.9900 .7883 -.7522 .5682 .4617 .5090 -.1186 67 TRP 67 .4280 -3.3859 999.9900 999.9900 .9378 -.6733 .6812 .1879 .3934 -.2302 68 GLU 68 .8733 -.8493 999.9900 -1.0323 .6899 -.0796 .6786 .5262 .5897 .1477 69 ASN 69 .1294 -1.0148 999.9900 999.9900 .7518 -.0445 .6790 .3790 .5040 .1849 70 PHE 70 .8041 -4.3038 999.9900 999.9900 .7573 -.9141 .6790 .1028 .3429 -.3921 71 VAL 71 .9834 999.9900 -1.0788 999.9900 .7810 .2286 .6582 .1225 .3457 .2933 72 LYS 72 .3654 -2.4344 999.9900 -.4035 .7460 -.4260 .6824 .1565 .3756 -.1844 73 ASP 73 1.3227 -2.8653 999.9900 999.9900 .8104 -.2441 .6788 .3808 .5049 .0655 74 ASN 74 -.0480 -.2615 999.9900 999.9900 .7518 .1474 .6787 .3842 .5069 .3011 75 ASN 75 -2.1824 .0199 999.9900 999.9900 .7518 -.4702 .6719 .3888 .5068 -.0700 76 LEU 76 -2.2364 .5655 999.9900 999.9900 .9565 -.2382 .6818 .1644 .3800 .0263 77 GLU 77 -1.2742 .8034 999.9900 -1.0323 .6899 -.2033 .6766 .5257 .5886 .0649 78 ASP 78 -1.5212 -.5889 999.9900 999.9900 .8104 -.4332 .6754 .3829 .5048 -.0483 79 GLY 79 -1.9441 999.9900 999.9900 999.9900 .7883 -.5779 .5784 .4681 .5171 -.0273 80 LYS 80 -.5681 -1.0359 999.9900 -.0770 .7460 -.2024 .6789 .1525 .3718 -.0258 81 TYR 81 .0868 -.2104 999.9900 999.9900 .5630 .1464 .6793 -.1872 .1739 .1863 82 LEU 82 -.4738 -3.3760 999.9900 999.9900 .9565 -.9644 .6805 .1496 .3708 -.4126 83 GLN 83 -.1803 -2.6982 999.9900 1.3059 .5113 -.2653 .6758 .5152 .5821 .0216 84 PHE 84 .0900 -4.3038 999.9900 999.9900 .7573 -1.1522 .6771 .0946 .3373 -.5370 85 ILE 85 -.1408 -.4959 999.9900 999.9900 .6034 -.0111 .6556 .0321 .2919 .1309 86 TYR 86 -.1271 -4.1972 999.9900 999.9900 .5630 -1.2538 .6715 -.1826 .1733 -.6545 87 ASP 87 -2.5838 -1.0785 999.9900 999.9900 .8104 -.9507 .6735 .3812 .5030 -.3595 88 ARG 88 -1.8488 -1.8960 999.9900 .1593 .8581 -.5136 .6688 .5140 .5785 -.1979 89 ASP 89 -2.3854 .5558 999.9900 999.9900 .8104 -.3397 .6726 .3651 .4932 .0037 90 ARG 90 -2.0927 -.3536 999.9900 .1593 .8581 -.2539 .6761 .5197 .5849 -.0105 91 THR 91 .1734 999.9900 -.8810 999.9900 .4476 -.0867 .6553 -.2647 .1187 .0261 92 PHE 92 .1097 -1.5308 999.9900 999.9900 .7573 -.2213 .6805 .1016 .3428 .0236 93 TYR 93 .2641 -2.0830 999.9900 999.9900 .5630 -.4186 .6770 -.1919 .1701 -.1542 94 VAL 94 -.0951 999.9900 1.1129 999.9900 .7810 .5996 .6606 .1160 .3429 .5151 95 ILE 95 -1.5441 -.5821 999.9900 999.9900 .6034 -.5076 .6546 .0380 .2949 -.1660 96 ILE 96 -.1408 -.2165 999.9900 999.9900 .6034 .0820 .6646 .0441 .3026 .1910 97 TYR 97 .0017 .3309 999.9900 999.9900 .5630 .2985 .6815 -.1837 .1768 .2787 98 GLY 98 -2.9723 999.9900 999.9900 999.9900 .7883 -1.0920 .5897 .4779 .5276 -.2791 99 HIS 99 -1.2838 .2773 999.9900 999.9900 .6686 -.1126 .6759 .3340 .4764 .1344 100 ASN 100 -3.4329 -.2320 999.9900 999.9900 .7518 -.9710 .6741 .3888 .5077 -.3700 101 MET 101 -.1559 -1.7864 999.9900 .9587 .5203 -.1158 .6772 .5145 .5823 .1214 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .6713 .2395 .4246 .3468 Means: -.6789 -1.5528 -.3960 .1679 .7095 -.3181 .6516 .2116 .3957 -.0297 2.00 analyzed_13