1 MET 1 999.9900 -.7184 999.9900 .9587 .5203 .2535 .6752 .5068 .5833 .3885 2 GLY 2 -2.9723 999.9900 999.9900 999.9900 .7883 -1.0920 .5756 .4677 .5157 -.2852 3 HIS 3 -3.0884 -3.1083 999.9900 999.9900 .6686 -1.8427 .6735 .3190 .4667 -.9071 4 HIS 4 -3.0884 -3.1083 999.9900 999.9900 .6686 -1.8427 .6776 .3239 .4713 -.9053 5 HIS 5 -3.0884 -3.1083 999.9900 999.9900 .6686 -1.8427 .6753 .3333 .4758 -.9039 6 HIS 6 -3.0884 -2.0147 999.9900 999.9900 .6686 -1.4782 .6725 .3335 .4747 -.6857 7 HIS 7 -.9818 -3.1083 999.9900 999.9900 .6686 -1.1405 .6788 .3237 .4717 -.4838 8 HIS 8 -1.3805 -.0777 999.9900 999.9900 .6686 -.2632 .6692 .3133 .4616 .0386 9 LEU 9 -3.7702 -3.3760 999.9900 999.9900 .9565 -2.0632 .6768 .1581 .3742 -1.0710 10 GLU 10 -3.2255 -2.1111 999.9900 -1.0323 .6899 -1.4198 .6778 .5265 .5895 -.7458 11 MET 11 -2.6662 -2.5481 999.9900 .9587 .5203 -.9338 .6726 .5140 .5801 -.4248 12 ALA 12 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6686 .3400 .4769 -.4276 13 SER 13 -1.7311 999.9900 -.0289 999.9900 .6705 -.3632 .6752 .5298 .5904 .0231 14 GLU 14 -2.5676 -2.8418 999.9900 -1.0323 .6899 -1.4380 .6804 .5268 .5908 -.7574 15 GLU 15 -2.1524 -2.3808 999.9900 -1.0323 .6899 -1.2189 .6818 .5280 .5921 -.6110 16 GLY 16 1.0529 999.9900 999.9900 999.9900 .7883 .9206 .5880 .4735 .5244 .7257 17 GLN 17 -.4306 -2.6982 999.9900 2.7911 .5113 .0434 .6713 .5180 .5819 .2271 18 VAL 18 -.6656 999.9900 -1.0788 999.9900 .7810 -.3211 .6580 .1249 .3470 -.0361 19 ILE 19 .1597 -1.2277 999.9900 999.9900 .6034 -.1549 .6564 .0464 .3006 .0476 20 ALA 20 -.7843 999.9900 999.9900 999.9900 .7458 -.0193 .6644 .3216 .4644 .2369 21 CYS 21 -.3751 999.9900 .1296 999.9900 .9108 .2218 .6784 .3059 .4611 .3299 22 HIS 22 -.7145 .0128 999.9900 999.9900 .6686 -.0110 .6742 .3202 .4677 .1923 23 THR 23 -.5585 999.9900 .7650 999.9900 .4476 .2180 .6576 -.2642 .1199 .2095 24 VAL 24 .7260 999.9900 .8662 999.9900 .7810 .7911 .6609 .1322 .3525 .6333 25 GLU 25 .7157 -1.3104 999.9900 -1.0323 .6899 -.2343 .6768 .5243 .5879 .0440 26 THR 26 .8748 999.9900 .2916 999.9900 .4476 .5380 .6593 -.2404 .1345 .4066 27 TRP 27 .9545 -1.9067 999.9900 999.9900 .9378 -.0048 .6871 .1953 .4002 .1736 28 ASN 28 1.0488 -3.3254 999.9900 999.9900 .7518 -.5083 .6785 .3813 .5051 -.0930 29 GLU 29 .7157 -.4402 999.9900 -1.0323 .6899 -.0167 .6792 .5198 .5863 .1887 30 GLN 30 .7370 -2.6982 999.9900 1.3059 .5113 -.0360 .6762 .5194 .5848 .1753 31 LEU 31 .8182 -2.5464 999.9900 999.9900 .9565 -.2572 .6785 .1774 .3862 .0169 32 GLN 32 .7451 -1.6169 999.9900 1.3059 .5113 .2364 .6819 .5290 .5927 .3594 33 LYS 33 .8536 -.3404 999.9900 .1140 .7460 .2974 .6811 .1463 .3692 .3307 34 ALA 34 -.1584 999.9900 999.9900 999.9900 .7458 .2937 .6648 .3120 .4590 .3910 35 ASN 35 -.1896 -1.1653 999.9900 999.9900 .7518 -.2010 .6754 .3908 .5094 .0926 36 GLU 36 .1449 -.8493 999.9900 -1.0323 .6899 -.2617 .6752 .5182 .5836 .0244 37 SER 37 -.3643 999.9900 -.7153 999.9900 .6705 -.1364 .6789 .5299 .5920 .1599 38 LYS 38 -1.2247 -.9951 999.9900 .1731 .7460 -.2255 .6758 .1717 .3817 -.0400 39 THR 39 -.1996 999.9900 -.8810 999.9900 .4476 -.2110 .6622 -.2593 .1247 -.0460 40 LEU 40 -.2181 -2.9612 999.9900 999.9900 .9565 -.7409 .6783 .1700 .3818 -.2749 41 VAL 41 .0764 999.9900 -1.0788 999.9900 .7810 -.0738 .6595 .1270 .3488 .1130 42 VAL 42 .4158 999.9900 .8662 999.9900 .7810 .6877 .6610 .1237 .3476 .5695 43 VAL 43 -.1306 999.9900 -.5532 999.9900 .7810 .0324 .6605 .1363 .3547 .1788 44 ASP 44 -.3633 .2955 999.9900 999.9900 .8104 .2475 .6745 .3977 .5130 .3630 45 PHE 45 .0966 .2658 999.9900 999.9900 .7573 .3732 .6751 .1016 .3406 .3793 46 THR 46 .4132 999.9900 -.8810 999.9900 .4476 -.0067 .6611 -.2674 .1195 .0747 47 ALA 47 -.5338 999.9900 999.9900 999.9900 .7458 .1060 .6611 .3113 .4570 .2961 48 SER 48 .6980 999.9900 -.7153 999.9900 .6705 .2177 .6816 .5341 .5956 .3738 49 TRP 49 -1.3140 -1.0414 999.9900 999.9900 .9378 -.4725 .6828 .1979 .3999 -.1074 50 CYS 50 -1.0658 -2.0054 999.9900 .2382 .9108 -.4805 .6746 .3061 .4596 -.1569 51 GLY 51 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .3462 .4676 .4137 -.4711 52 PRO 52 -.4052 999.9900 999.9900 999.9900 .4496 .0222 .5418 -.3626 .0142 .0559 53 CYS 53 1.1812 -1.5342 999.9900 .2382 .9108 .1990 .6782 .3170 .4675 .2986 54 ARG 54 .0418 -2.8571 999.9900 .6901 .8581 -.1154 .6748 .5197 .5843 .0882 55 PHE 55 -1.4579 -.1288 999.9900 999.9900 .7573 -.2764 .6735 .0874 .3316 -.0137 56 ILE 56 -1.3063 -2.4201 999.9900 999.9900 .6034 -1.0410 .6544 .0504 .3021 -.4836 57 ALA 57 .6496 999.9900 999.9900 999.9900 .7458 .6977 .4785 .3143 .3827 .5471 58 PRO 58 -1.1138 999.9900 999.9900 999.9900 .4496 -.3321 .5518 -.3538 .0235 -.1165 59 PHE 59 .4032 -.6612 999.9900 999.9900 .7573 .1664 .6680 .0988 .3360 .2532 60 PHE 60 .8041 -4.3038 999.9900 999.9900 .7573 -.9141 .6826 .0932 .3388 -.3933 61 ALA 61 .9879 999.9900 999.9900 999.9900 .7458 .8668 .6678 .3130 .4608 .6786 62 ASP 62 1.0815 -.7502 999.9900 999.9900 .8104 .3806 .6850 .3918 .5140 .4437 63 LEU 63 .4996 -2.4128 999.9900 999.9900 .9565 -.3189 .6760 .1514 .3700 -.0259 64 ALA 64 .6496 999.9900 999.9900 999.9900 .7458 .6977 .6750 .3181 .4668 .5971 65 LYS 65 .4938 -1.8181 999.9900 -.4035 .7460 -.2771 .6749 .1608 .3750 -.0785 66 LYS 66 -.6960 -1.2879 999.9900 .3546 .7460 -.1057 .6794 .1483 .3696 .0427 67 LEU 67 -1.5748 -2.9612 999.9900 999.9900 .9565 -1.1932 .4791 .1576 .2916 -.5886 68 PRO 68 -.1156 999.9900 999.9900 999.9900 .4496 .1670 .5449 -.3612 .0164 .1294 69 ASN 69 .9310 -1.0869 999.9900 999.9900 .7518 .1986 .6756 .3841 .5056 .3311 70 VAL 70 -.1473 999.9900 .4980 999.9900 .7810 .3773 .6554 .1272 .3473 .3829 71 LEU 71 -.1655 -2.2115 999.9900 999.9900 .9565 -.4735 .6746 .1558 .3719 -.1180 72 PHE 72 .1161 -.0015 999.9900 999.9900 .7573 .2906 .6696 .1052 .3404 .3294 73 LEU 73 -.5127 -2.4128 999.9900 999.9900 .9565 -.6564 .6744 .1601 .3744 -.2269 74 LYS 74 -.1919 -1.8181 999.9900 -.4035 .7460 -.4142 .6748 .1476 .3673 -.1784 75 VAL 75 .5686 999.9900 .1416 999.9900 .7810 .4971 .6533 .1256 .3455 .4540 76 ASP 76 -.1054 -1.7105 999.9900 999.9900 .8104 -.3352 .6827 .3922 .5132 .0139 77 THR 77 .1314 999.9900 .6346 999.9900 .4476 .4045 .6541 -.2459 .1291 .3244 78 ASP 78 .2251 -2.4630 999.9900 999.9900 .8104 -.4758 .6778 .3777 .5027 -.0744 79 GLU 79 -3.2255 -2.1111 999.9900 -1.0323 .6899 -1.4198 .6787 .5255 .5893 -.7458 80 LEU 80 -2.5767 -3.3760 999.9900 999.9900 .9565 -1.6654 .6727 .1557 .3711 -.8336 81 LYS 81 .6780 -2.4344 999.9900 -.4035 .7460 -.3635 .6782 .1512 .3708 -.1411 82 SER 82 1.1864 999.9900 .3727 999.9900 .6705 .7432 .6832 .5310 .5944 .6888 83 VAL 83 .7260 999.9900 -1.0788 999.9900 .7810 .1428 .6670 .1206 .3483 .2432 84 ALA 84 .5364 999.9900 999.9900 999.9900 .7458 .6411 .6650 .3094 .4576 .5642 85 SER 85 .8651 999.9900 -.7153 999.9900 .6705 .2734 .6750 .5229 .5863 .4036 86 ASP 86 .9921 -3.7306 999.9900 999.9900 .8104 -.6427 .6815 .3857 .5090 -.1722 87 TRP 87 -.3273 .2071 999.9900 999.9900 .9378 .2725 .6749 .1883 .3911 .3362 88 ALA 88 -2.3529 999.9900 999.9900 999.9900 .7458 -.8035 .6662 .3038 .4548 -.1593 89 ILE 89 -2.7096 -.6139 999.9900 999.9900 .6034 -.9067 .6576 .0386 .2965 -.4048 90 GLN 90 -1.2769 -2.6982 999.9900 1.3059 .5113 -.5395 .6817 .5275 .5918 -.1581 91 ALA 91 -1.0373 999.9900 999.9900 999.9900 .7458 -.1458 .6613 .3176 .4608 .1719 92 MET 92 -.6588 -1.5870 999.9900 .9587 -1.9874 -.8186 .4837 .5195 .5046 -.3785 93 PRO 93 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5498 -.3361 .0330 .2708 94 THR 94 .4874 999.9900 -.8810 999.9900 .4476 .0180 .6595 -.2368 .1367 .0953 95 PHE 95 -.2986 -1.3145 999.9900 999.9900 .7573 -.2853 .6779 .0988 .3401 -.0158 96 MET 96 -.3503 -1.4323 999.9900 .9587 .5203 -.0759 .6754 .5165 .5827 .1481 97 PHE 97 -.2255 -3.6820 999.9900 999.9900 .7573 -1.0501 .6734 .0913 .3339 -.4771 98 LEU 98 -1.1512 -3.3760 999.9900 999.9900 .9565 -1.1902 .6752 .1551 .3718 -.5481 99 LYS 99 -.3099 -.2831 999.9900 -.4035 .7460 -.1308 .6834 .1543 .3748 .0262 100 GLU 100 -1.4621 .1870 999.9900 -1.0323 .6899 -.4044 .6731 .5305 .5899 -.0690 101 GLY 101 1.1139 999.9900 999.9900 999.9900 .7883 .9511 .5855 .4640 .5180 .7379 102 LYS 102 -.3350 .2421 999.9900 -.0770 .7460 .0998 .6803 .1465 .3689 .1894 103 ILE 103 -.8418 .5691 999.9900 999.9900 .6034 .1102 .6491 .0484 .2987 .2056 104 LEU 104 -2.8468 -.9670 999.9900 999.9900 .9565 -.9524 .6782 .1592 .3754 -.4040 105 ASP 105 -.6293 -3.1847 999.9900 999.9900 .8104 -1.0012 .6755 .3828 .5048 -.3891 106 LYS 106 -.4160 -2.4344 999.9900 -.4035 .7460 -.5823 .6699 .1486 .3658 -.2990 107 VAL 107 -.0463 999.9900 .7395 999.9900 .7810 .4914 .6553 .1145 .3398 .4488 108 VAL 108 -.3909 999.9900 -1.0788 999.9900 .7810 -.2295 .6611 .1259 .3489 .0197 109 GLY 109 -.4135 999.9900 999.9900 999.9900 .7883 .1874 .5739 .4714 .5170 .3550 110 ALA 110 -1.4499 999.9900 999.9900 999.9900 .7458 -.3521 .6659 .3109 .4588 .0682 111 LYS 111 -.9887 -.8530 999.9900 -.4035 .7460 -.3805 .6763 .1582 .3741 -.1526 112 LYS 112 .9451 -1.8181 999.9900 -.0397 .7460 -.0413 .6775 .1531 .3716 .0892 113 ASP 113 1.0815 -.4801 999.9900 999.9900 .8104 .4706 .6797 .3905 .5110 .4964 114 GLU 114 1.0761 -2.1111 999.9900 -1.0323 .6899 -.3444 .6843 .5226 .5900 -.0284 115 LEU 115 .2355 -2.7185 999.9900 999.9900 .9565 -.5088 .6768 .1608 .3758 -.1378 116 GLN 116 .1632 -1.4944 999.9900 1.3059 .5113 .1215 .6844 .5322 .5956 .2838 117 SER 117 .8760 999.9900 -.7153 999.9900 .6705 .2770 .6728 .5328 .5912 .4074 118 THR 118 1.2375 999.9900 -.8810 999.9900 .4476 .2680 .6560 -.2519 .1264 .2416 119 ILE 119 .6852 .4202 999.9900 999.9900 .6034 .5696 .6546 .0376 .2947 .4802 120 ALA 120 .5364 999.9900 999.9900 999.9900 .7458 .6411 .6698 .3212 .4664 .5683 121 LYS 121 1.0429 -2.4344 999.9900 -.4035 .7460 -.2905 .6700 .1528 .3683 -.0900 122 HIS 122 .1567 .6357 999.9900 999.9900 .6686 .4870 .6795 .3233 .4718 .4928 123 LEU 123 -.2717 -3.3760 999.9900 999.9900 .9565 -.8971 .6786 .1558 .3736 -.3714 124 ALA 124 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .6653 .2350 .4194 .4501 Means: -.4047 -1.7198 -.2491 -.0040 .7026 -.2627 .6589 .2405 .4153 .0133 2.00 analyzed_20