1 MET 1 999.9900 -2.0676 999.9900 .9587 .5203 -.1962 .6716 .5005 .5783 .1167 2 ALA 2 -1.6256 999.9900 999.9900 999.9900 .7458 -.4399 .6659 .3064 .4562 .0231 3 ASP 3 -.8696 -1.0518 999.9900 999.9900 .8104 -.3704 .6789 .3765 .5025 -.0111 4 THR 4 -.2485 999.9900 .2916 999.9900 .4476 .1636 .6554 -.2484 .1282 .1795 5 GLY 5 -.5009 999.9900 999.9900 999.9900 .7883 .1437 .5808 .4769 .5231 .3363 6 GLU 6 -.3942 -2.3808 999.9900 -1.0323 .6899 -.7794 .6811 .5275 .5915 -.3181 7 VAL 7 -.3161 999.9900 -1.0788 999.9900 .7810 -.2046 .6560 .1225 .3448 .0329 8 GLN 8 -.4306 -2.2325 999.9900 1.3059 .5113 -.2115 .6784 .5216 .5869 .0590 9 PHE 9 -.4296 -3.6820 999.9900 999.9900 .7573 -1.1181 .6751 .1019 .3407 -.5155 10 MET 10 -.2520 -1.1990 999.9900 .9587 .5203 .0070 .6801 .5178 .5854 .2043 11 LYS 11 -.4760 -2.4344 999.9900 -.4035 .7460 -.5943 .5011 .1501 .2964 -.3315 12 PRO 12 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5498 -.3766 .0094 .2493 13 PHE 13 .0900 -4.3038 999.9900 999.9900 .7573 -1.1522 .6783 .0969 .3391 -.5363 14 ILE 14 .1597 -.5821 999.9900 999.9900 .6034 .0603 .6610 .0310 .2935 .1746 15 SER 15 .1386 999.9900 -.7153 999.9900 .6705 .0313 .6799 .5334 .5944 .2614 16 GLU 16 .8171 -1.3104 999.9900 -1.0323 .6899 -.2089 .6775 .5173 .5841 .0599 17 LYS 17 -1.4447 -1.2879 999.9900 -.4035 .7460 -.5587 .6782 .1601 .3760 -.2793 18 SER 18 -1.2908 999.9900 -.7153 999.9900 .6705 -.4452 .6702 .5257 .5859 -.0279 19 SER 19 .6980 999.9900 -.7153 999.9900 .6705 .2177 .6752 .5283 .5895 .3713 20 LYS 20 -3.5196 -2.9005 999.9900 -.0770 .7460 -1.1656 .6773 .1617 .3766 -.7127 21 SER 21 -.4961 999.9900 -.7153 999.9900 .6705 -.1803 .6769 .5256 .5887 .1323 22 LEU 22 -.6702 -2.7185 999.9900 999.9900 .9565 -.8107 .6788 .1484 .3694 -.3210 23 GLU 23 -.3890 -1.4588 999.9900 -1.0323 .6899 -.5475 .6715 .5222 .5844 -.1661 24 ILE 24 .2593 -.2679 999.9900 999.9900 .6034 .1983 .4564 .0572 .2236 .2217 25 PRO 25 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5451 -.3491 .0235 .2664 26 LEU 26 1.1349 -3.3760 999.9900 999.9900 .9565 -.4282 .6799 .1558 .3742 -.0898 27 GLY 27 .1734 999.9900 999.9900 999.9900 .7883 .4808 .5780 .4658 .5157 .5014 28 PHE 28 -1.7494 -2.5581 999.9900 999.9900 .7573 -1.1834 .6767 .1148 .3489 -.5518 29 ASN 29 .6990 -.8859 999.9900 999.9900 .7518 .1883 .6772 .3796 .5036 .3244 30 GLU 30 -.4919 -1.7714 999.9900 -1.0323 .6899 -.6514 .6695 .5213 .5830 -.2358 31 TYR 31 .3338 -4.1972 999.9900 999.9900 .5630 -1.1002 .6734 -.1885 .1706 -.5631 32 PHE 32 -3.6149 -.4925 999.9900 999.9900 .7573 -1.1167 .4942 .1000 .2643 -.5512 33 PRO 33 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5535 -.3617 .0196 .2540 34 ALA 34 -.4433 999.9900 999.9900 999.9900 .7458 .1513 .4778 .3365 .3954 .2792 35 PRO 35 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5406 -.3842 .0011 .2564 36 PHE 36 -1.5081 -.4187 999.9900 999.9900 .7573 -.3898 .4659 .1053 .2555 -.1197 37 PRO 37 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5431 -.3619 .0152 .2047 38 ILE 38 -4.2337 -.7522 999.9900 999.9900 .6034 -1.4608 .6598 .0392 .2978 -.7367 39 THR 39 .3976 999.9900 -.8810 999.9900 .4476 -.0120 .6569 -.2485 .1288 .0745 40 VAL 40 -.0582 999.9900 -.5532 999.9900 .7810 .0565 .6534 .1237 .3444 .1894 41 ASP 41 -1.0681 1.1826 999.9900 999.9900 .8104 .3083 .6836 .3832 .5084 .3983 42 LEU 42 -.1897 .6236 999.9900 999.9900 .9565 .4635 .6750 .1601 .3746 .4451 43 LEU 43 -.1196 -3.3760 999.9900 999.9900 .9565 -.8463 .6754 .1506 .3692 -.3426 44 ASP 44 -1.3478 -3.7306 999.9900 999.9900 .8104 -1.4227 .6818 .3895 .5113 -.6393 45 TYR 45 -3.1208 -2.0830 999.9900 999.9900 .5630 -1.5470 .6765 -.1949 .1682 -.8319 46 SER 46 -2.9368 999.9900 -.7153 999.9900 .6705 -.9939 .6747 .5262 .5881 -.3561 47 GLY 47 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5779 .4748 .5206 -.4114 48 ARG 48 -.6502 .4849 999.9900 .1593 .8581 .2023 .6772 .5165 .5835 .3150 49 SER 49 -.0741 999.9900 .3727 999.9900 .6705 .3230 .6716 .5338 .5912 .4349 50 TRP 50 -.3875 -.4963 999.9900 999.9900 .9378 .0180 .6757 .1867 .3904 .1833 51 THR 51 .0466 999.9900 -.8810 999.9900 .4476 -.1289 .6562 -.2427 .1318 .0053 52 VAL 52 -.1853 999.9900 -1.0788 999.9900 .7810 -.1610 .6489 .1198 .3403 .0572 53 ARG 53 -.5160 -1.7413 999.9900 .1593 .8581 -.2161 .6808 .5205 .5873 .0173 54 MET 54 -.3206 .1642 999.9900 .9587 .5203 .3306 .6745 .5095 .5783 .4178 55 LYS 55 -.3038 -1.5918 999.9900 -.4035 .7460 -.3913 .6740 .1509 .3688 -.1617 56 LYS 56 -.1765 -1.5020 999.9900 -.4035 .7460 -.3479 .6785 .1556 .3735 -.1294 57 ARG 57 -.9010 -2.8571 999.9900 .6901 .8581 -.3040 .6794 .5186 .5856 -.0460 58 GLY 58 -.4254 999.9900 999.9900 999.9900 .7883 .1814 .5688 .4609 .5089 .3481 59 GLU 59 -1.0162 -2.8418 999.9900 -1.0323 .6899 -1.0501 .6827 .5269 .5918 -.4985 60 LYS 60 -.2075 -2.4344 999.9900 -.4035 .7460 -.5406 .6724 .1515 .3685 -.2684 61 VAL 61 .3758 999.9900 -1.0788 999.9900 .7810 .0260 .6569 .1322 .3508 .1734 62 PHE 62 -.3916 -1.8165 999.9900 999.9900 .7573 -.4836 .6786 .1036 .3432 -.1337 63 LEU 63 -.2181 -1.9980 999.9900 999.9900 .9565 -.4199 .6786 .1617 .3771 -.0838 64 THR 64 -4.2065 999.9900 -.8810 999.9900 .4476 -1.5467 .6551 -.2480 .1283 -.8466 65 VAL 65 -.6207 999.9900 .9747 999.9900 .7810 .3783 .6531 .1095 .3360 .3795 66 GLY 66 -2.9723 999.9900 999.9900 999.9900 .7883 -1.0920 .5848 .4778 .5253 -.2804 67 TRP 67 -.6924 -3.3859 999.9900 999.9900 .9378 -1.0468 .6749 .1857 .3895 -.4560 68 GLU 68 .8604 .6653 999.9900 -1.0323 .6899 .2958 .6764 .5194 .5848 .3965 69 ASN 69 .9642 -2.0766 999.9900 999.9900 .7518 -.1202 .6789 .3887 .5096 .1414 70 PHE 70 1.2168 -3.6820 999.9900 999.9900 .7573 -.5693 .6800 .1060 .3452 -.1844 71 VAL 71 1.0462 999.9900 -1.0788 999.9900 .7810 .2495 .6604 .1164 .3431 .3051 72 LYS 72 .8536 -.8858 999.9900 -.4035 .7460 -.0186 .6762 .1605 .3754 .1062 73 ASP 73 .9921 -2.1980 999.9900 999.9900 .8104 -.1318 .6798 .3885 .5099 .1346 74 ASN 74 -.1320 -2.0766 999.9900 999.9900 .7518 -.4856 .6702 .3798 .5008 -.0814 75 ASN 75 -3.4329 -.8859 999.9900 999.9900 .7518 -1.1890 .6750 .3875 .5073 -.5009 76 LEU 76 -.9033 -.4539 999.9900 999.9900 .9565 -.1336 .6729 .1629 .3754 .0870 77 GLU 77 -1.3743 -.4584 999.9900 .3501 .6899 -.1982 .6765 .5263 .5889 .0684 78 ASP 78 -.9954 -1.1646 999.9900 999.9900 .8104 -.4499 .6823 .3816 .5069 -.0571 79 GLY 79 -2.2927 999.9900 999.9900 999.9900 .7883 -.7522 .5792 .4644 .5154 -.1152 80 LYS 80 -.7762 -.9203 999.9900 -.4035 .7460 -.3515 .6780 .1541 .3724 -.1322 81 TYR 81 .3730 .8492 999.9900 999.9900 .5630 .5950 .6773 -.1775 .1786 .4570 82 LEU 82 -.3075 -3.3760 999.9900 999.9900 .9565 -.9090 .6787 .1601 .3762 -.3776 83 GLN 83 -.1966 -2.6982 999.9900 1.3059 .5113 -.2694 .6752 .5258 .5880 .0206 84 PHE 84 -.2457 -1.5308 999.9900 999.9900 .7573 -.3397 .6780 .0904 .3352 -.0502 85 ILE 85 -.0022 -.5821 999.9900 999.9900 .6034 .0064 .6516 .0376 .2934 .1416 86 TYR 86 .0406 -.3789 999.9900 999.9900 .5630 .0749 .6766 -.1886 .1719 .1425 87 ASP 87 -.6569 -.6983 999.9900 999.9900 .8104 -.1816 .6735 .3863 .5059 .1030 88 ARG 88 -1.2976 -2.8571 999.9900 .1593 .8581 -.5956 .6744 .5262 .5879 -.2539 89 ASP 89 -2.5838 -1.1348 999.9900 999.9900 .8104 -.9694 .6776 .3810 .5045 -.3700 90 ARG 90 -1.6758 -2.8571 999.9900 .5548 .8581 -.5130 .6719 .5097 .5773 -.1976 91 THR 91 .3363 999.9900 -.8810 999.9900 .4476 -.0324 .6597 -.2528 .1274 .0620 92 PHE 92 .1161 .3498 999.9900 999.9900 .7573 .4077 .6796 .0994 .3412 .4004 93 TYR 93 .2641 .2608 999.9900 999.9900 .5630 .3626 .6774 -.1776 .1786 .3175 94 VAL 94 .1037 999.9900 .8055 999.9900 .7810 .5634 .6572 .1262 .3474 .4947 95 ILE 95 -.7007 -3.0500 999.9900 999.9900 .6034 -1.0491 .6563 .0455 .3000 -.4891 96 ILE 96 .3543 -3.0500 999.9900 999.9900 .6034 -.6974 .6602 .0463 .3021 -.2772 97 TYR 97 .4043 -.2699 999.9900 999.9900 .5630 .2324 .6776 -.1839 .1750 .2382 98 GLY 98 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5947 .4773 .5295 -.4065 99 HIS 99 -1.3805 -.8163 999.9900 999.9900 .6686 -.5094 .6763 .3248 .4713 -.1054 100 ASN 100 -.5477 -.4625 999.9900 999.9900 .7518 -.0861 .6778 .3841 .5065 .1607 101 MET 101 -.7108 -2.5481 999.9900 .9587 .5203 -.4450 .6814 .5250 .5902 -.0956 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .6715 .2369 .4232 .3460 Means: -.6066 -1.6046 -.4945 -.0450 .7095 -.3380 .6515 .2120 .3959 -.0419 2.00 analyzed_15