1 MET 1 999.9900 -2.5481 999.9900 .9587 .5203 -.3564 .6719 .4993 .5778 .0204 2 ALA 2 -1.8806 999.9900 999.9900 999.9900 .7458 -.5674 .6727 .3143 .4636 -.0370 3 ASP 3 -2.8635 -2.0001 999.9900 999.9900 .8104 -1.3511 .6737 .3836 .5045 -.5992 4 THR 4 -4.2065 999.9900 -.8810 999.9900 .4476 -1.5467 .6624 -.2685 .1194 -.8492 5 GLY 5 -2.6716 999.9900 999.9900 999.9900 .7883 -.9416 .5987 .4844 .5352 -.2000 6 GLU 6 -3.2255 -.4051 999.9900 -1.0323 .6899 -.9933 .6798 .5203 .5868 -.4622 7 VAL 7 .0764 999.9900 -.5532 999.9900 .7810 .1014 .6540 .1181 .3414 .2153 8 GLN 8 -1.1984 -1.7668 999.9900 1.3059 .5113 -.2870 .6797 .5269 .5906 .0098 9 PHE 9 -.4296 .6387 999.9900 999.9900 .7573 .3221 .6787 .1026 .3426 .3495 10 MET 10 -.1559 -2.5481 999.9900 .9587 .5203 -.3063 .6826 .5231 .5895 -.0032 11 LYS 11 -.6340 -.4196 999.9900 -.4035 .7460 -.2229 .5028 .1614 .3036 -.0643 12 PRO 12 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5507 -.3646 .0168 .1619 13 PHE 13 .0900 -.6160 999.9900 999.9900 .7573 .0771 .6843 .0942 .3401 .2020 14 ILE 14 .0718 -1.7901 999.9900 999.9900 .6034 -.3717 .6547 .0553 .3051 -.0810 15 SER 15 .5661 999.9900 -.7153 999.9900 .6705 .1737 .6722 .5316 .5902 .3450 16 GLU 16 .4426 -1.9198 999.9900 .3501 .6899 -.1093 .6744 .5101 .5786 .1246 17 LYS 17 -2.0221 -1.5918 999.9900 .3240 .7460 -.4440 .6743 .1548 .3713 -.1987 18 SER 18 .1178 999.9900 -.7153 999.9900 .6705 .0243 .6779 .5260 .5893 .2554 19 SER 19 .9076 999.9900 -.7153 999.9900 .6705 .2876 .6774 .5296 .5912 .4140 20 LYS 20 -3.5196 -2.1617 999.9900 -.0397 .7460 -1.0029 .6757 .1520 .3702 -.5981 21 SER 21 .0280 999.9900 -.0289 999.9900 .6705 .2232 .6747 .5261 .5880 .3741 22 LEU 22 -.5757 -2.4128 999.9900 999.9900 .9565 -.6774 .6768 .1461 .3672 -.2418 23 GLU 23 -.9070 -1.4588 999.9900 .3501 .6899 -.3314 .6802 .5221 .5880 -.0206 24 ILE 24 -.1408 .2167 999.9900 999.9900 .6034 .2264 .4556 .0524 .2204 .2375 25 PRO 25 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5380 -.3660 .0107 .2490 26 LEU 26 -.5228 -2.9612 999.9900 999.9900 .9565 -.8425 .6808 .1591 .3765 -.3375 27 GLY 27 .1734 999.9900 999.9900 999.9900 .7883 .4808 .5858 .4786 .5262 .5065 28 PHE 28 -.0970 -3.6820 999.9900 999.9900 .7573 -1.0072 .6778 .1151 .3496 -.4458 29 ASN 29 .7786 -2.3357 999.9900 999.9900 .7518 -.2685 .6759 .3927 .5107 .0526 30 GLU 30 -.3012 .4864 999.9900 .3501 .6899 .3063 .6734 .5214 .5848 .4033 31 TYR 31 -.8584 -4.1972 999.9900 999.9900 .5630 -1.4976 .6840 -.1764 .1821 -.7970 32 PHE 32 -1.6817 -4.3038 999.9900 999.9900 .7573 -1.7427 .4866 .1053 .2642 -.9272 33 PRO 33 -5.1268 999.9900 999.9900 999.9900 .4496 -2.3386 .5446 -.3562 .0191 -1.1222 34 ALA 34 -2.3529 999.9900 999.9900 999.9900 .7458 -.8035 .4759 .3280 .3896 -.2008 35 PRO 35 -4.5055 999.9900 999.9900 999.9900 .4496 -2.0279 .5543 -.3681 .0162 -.9674 36 PHE 36 -.4833 -.8310 999.9900 999.9900 .7573 -.1856 .4704 .1119 .2613 .0051 37 PRO 37 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5374 -.3599 .0140 .2038 38 ILE 38 -2.7096 -.3760 999.9900 999.9900 .6034 -.8274 .6464 .0313 .2876 -.3609 39 THR 39 -.5707 999.9900 -.8810 999.9900 .4476 -.3347 .6594 -.2670 .1190 -.1223 40 VAL 40 -.3909 999.9900 .8662 999.9900 .7810 .4188 .6575 .1108 .3386 .4049 41 ASP 41 -1.6875 -.5192 999.9900 999.9900 .8104 -.4654 .6797 .3724 .5005 -.0688 42 LEU 42 -.1897 -3.3760 999.9900 999.9900 .9565 -.8697 .6714 .1710 .3795 -.3534 43 LEU 43 -.4738 -2.0611 999.9900 999.9900 .9565 -.5261 .6782 .1511 .3707 -.1498 44 ASP 44 -.5058 -.8253 999.9900 999.9900 .8104 -.1736 .6779 .3746 .5010 .1064 45 TYR 45 -2.5417 -.7659 999.9900 999.9900 .5630 -.9149 .6709 -.1996 .1631 -.4547 46 SER 46 -3.2405 999.9900 -.7153 999.9900 .6705 -1.0951 .6823 .5354 .5966 -.4135 47 GLY 47 -.4497 999.9900 999.9900 999.9900 .7883 .1693 .5806 .4730 .5208 .3480 48 ARG 48 -.4155 -2.0954 999.9900 .6901 .8581 -.0545 .6794 .5136 .5827 .1315 49 SER 49 -.0526 999.9900 .3727 999.9900 .6705 .3302 .6781 .5261 .5895 .4390 50 TRP 50 -.3875 -3.3859 999.9900 999.9900 .9378 -.9452 .6751 .1926 .3937 -.3936 51 THR 51 -.2319 999.9900 -.8810 999.9900 .4476 -.2218 .6555 -.2364 .1352 -.0493 52 VAL 52 .3116 999.9900 -.0276 999.9900 .7810 .3550 .6522 .1236 .3438 .3682 53 ARG 53 -.5383 -1.6149 999.9900 .6901 .8581 .0170 .6761 .5099 .5792 .1816 54 MET 54 -.3206 -2.5481 999.9900 .9587 .5203 -.3474 .6820 .5183 .5865 -.0316 55 LYS 55 -.2023 1.0562 999.9900 -.4035 .7460 .1586 .6794 .1487 .3698 .2316 56 LYS 56 -.6747 -1.6955 999.9900 -.4035 .7460 -.4862 .6771 .1456 .3670 -.2298 57 ARG 57 -1.2588 -1.6149 999.9900 .1593 .8581 -.3394 .6778 .5178 .5844 -.0716 58 GLY 58 -1.7786 999.9900 999.9900 999.9900 .7883 -.4952 .5774 .4721 .5189 .0148 59 GLU 59 -1.0629 -.4402 999.9900 .3501 .6899 -.1158 .6836 .5267 .5921 .1245 60 LYS 60 -.8956 -2.9005 999.9900 .1140 .7460 -.5644 .6768 .1622 .3766 -.2833 61 VAL 61 .0429 999.9900 -.0276 999.9900 .7810 .2655 .6610 .1198 .3453 .3154 62 PHE 62 -.2058 .9147 999.9900 999.9900 .7573 .4888 .6754 .1052 .3428 .4494 63 LEU 63 -.1836 -2.5464 999.9900 999.9900 .9565 -.5912 .6808 .1507 .3716 -.1884 64 THR 64 -4.2065 999.9900 .2916 999.9900 .4476 -1.1558 .6549 -.2653 .1181 -.6155 65 VAL 65 -1.2071 999.9900 .2799 999.9900 .7810 -.0487 .6579 .1368 .3539 .1297 66 GLY 66 -2.1575 999.9900 999.9900 999.9900 .7883 -.6846 .5875 .4639 .5188 -.0795 67 TRP 67 .4280 -3.3859 999.9900 999.9900 .9378 -.6733 .6697 .1926 .3914 -.2315 68 GLU 68 1.0761 -.8169 999.9900 -1.0323 .6899 -.0208 .6725 .5293 .5890 .1864 69 ASN 69 1.0488 .4487 999.9900 999.9900 .7518 .7498 .6804 .3838 .5074 .6627 70 PHE 70 .8041 -4.3038 999.9900 999.9900 .7573 -.9141 .6773 .0950 .3377 -.3940 71 VAL 71 1.0462 999.9900 -1.0788 999.9900 .7810 .2495 .6595 .1325 .3521 .3081 72 LYS 72 .6780 -.8530 999.9900 .1731 .7460 .1834 .6825 .1640 .3800 .2519 73 ASP 73 1.3227 -1.4542 999.9900 999.9900 .8104 .2263 .6744 .3796 .5024 .3466 74 ASN 74 .3666 .5271 999.9900 999.9900 .7518 .5485 .6785 .3852 .5074 .5419 75 ASN 75 -2.3558 -1.0148 999.9900 999.9900 .7518 -.8729 .6716 .3774 .5000 -.3140 76 LEU 76 -2.2364 -2.5464 999.9900 999.9900 .9565 -1.2754 .6713 .1446 .3641 -.6021 77 GLU 77 -1.2742 -2.3808 999.9900 -1.0323 .6899 -.9994 .6790 .5173 .5847 -.4669 78 ASP 78 -.9954 -2.0928 999.9900 999.9900 .8104 -.7593 .6781 .3725 .4998 -.2455 79 GLY 79 -1.9441 999.9900 999.9900 999.9900 .7883 -.5779 .5861 .4801 .5272 -.0224 80 LYS 80 -.7762 -.2562 999.9900 -.4035 .7460 -.2187 .6728 .1576 .3723 -.0376 81 TYR 81 .0868 -2.1671 999.9900 999.9900 .5630 -.5058 .6791 -.1763 .1801 -.2029 82 LEU 82 -.3075 -3.3760 999.9900 999.9900 .9565 -.9090 .6766 .1626 .3767 -.3776 83 GLN 83 -.5179 -.1712 999.9900 1.3059 .5113 .2820 .6793 .5255 .5896 .3888 84 PHE 84 .0058 -.1035 999.9900 999.9900 .7573 .2199 .6740 .0989 .3385 .2865 85 ILE 85 .3543 -.5821 999.9900 999.9900 .6034 .1252 .6582 .0379 .2964 .2144 86 TYR 86 .3981 .5582 999.9900 999.9900 .5630 .5064 .6748 -.1743 .1795 .4040 87 ASP 87 -3.3417 -2.6388 999.9900 999.9900 .8104 -1.7234 .6760 .3745 .5001 -.8239 88 ARG 88 -2.9267 -1.8960 999.9900 .1593 .8581 -.7292 .6748 .5206 .5848 -.3501 89 ASP 89 -2.3854 -1.0785 999.9900 999.9900 .8104 -.8845 .6747 .3845 .5054 -.3189 90 ARG 90 -1.5415 -2.8571 999.9900 .1593 .8581 -.6444 .6777 .5267 .5896 -.2882 91 THR 91 .5084 999.9900 .7650 999.9900 .4476 .5737 .6561 -.2634 .1198 .4227 92 PHE 92 .0058 -.6308 999.9900 999.9900 .7573 .0441 .6710 .0801 .3263 .1767 93 TYR 93 .2641 -.3337 999.9900 999.9900 .5630 .1645 .6776 -.1760 .1796 .1990 94 VAL 94 -.5494 999.9900 -.0276 999.9900 .7810 .0680 .6549 .1181 .3418 .1954 95 ILE 95 -1.5441 .8778 999.9900 999.9900 .6034 -.0210 .6607 .0363 .2965 .1268 96 ILE 96 -.0022 -1.0451 999.9900 999.9900 .6034 -.1480 .6535 .0518 .3025 .0523 97 TYR 97 .4043 -.2802 999.9900 999.9900 .5630 .2290 .6775 -.1771 .1789 .2375 98 GLY 98 -2.9723 999.9900 999.9900 999.9900 .7883 -1.0920 .5822 .4800 .5254 -.2805 99 HIS 99 -.3228 -3.1083 999.9900 999.9900 .6686 -.9208 .6815 .3227 .4722 -.3517 100 ASN 100 -3.4329 -2.3357 999.9900 999.9900 .7518 -1.6723 .6791 .3809 .5052 -.7913 101 MET 101 .2242 -2.0676 999.9900 .9587 .5203 -.0911 .6790 .5184 .5853 .1388 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .6711 .2492 .4300 .3500 Means: -.8512 -1.5184 -.2391 .1636 .7095 -.3548 .6519 .2118 .3960 -.0523 2.00 analyzed_3