1 MET 1 999.9900 -1.1064 999.9900 .9587 .5203 .1242 .6745 .5020 .5804 .3098 2 GLY 2 -2.1575 999.9900 999.9900 999.9900 .7883 -.6846 .5938 .4722 .5263 -.0758 3 HIS 3 -2.5191 -3.1083 999.9900 999.9900 .6686 -1.6529 .6741 .3306 .4737 -.7908 4 HIS 4 -.5879 -1.1713 999.9900 999.9900 .6686 -.3635 .6775 .3177 .4676 -.0191 5 HIS 5 -1.0475 -2.0147 999.9900 999.9900 .6686 -.7979 .6782 .3319 .4762 -.2767 6 HIS 6 -.2950 -.9211 999.9900 999.9900 .6686 -.1825 .6804 .3307 .4764 .0927 7 HIS 7 -.5497 -3.1083 999.9900 999.9900 .6686 -.9965 .6763 .3229 .4701 -.3980 8 HIS 8 -3.0884 -3.1083 999.9900 999.9900 .6686 -1.8427 .6765 .3314 .4752 -.9040 9 LEU 9 -1.2495 -2.1315 999.9900 999.9900 .9565 -.8082 .6831 .1502 .3723 -.3182 10 GLU 10 -1.8465 -1.9198 999.9900 -1.0323 .6899 -1.0272 .6770 .5258 .5888 -.4843 11 MET 11 -1.8017 -2.5481 999.9900 .9587 .5203 -.7177 .6729 .5170 .5819 -.2802 12 ALA 12 -2.0449 999.9900 999.9900 999.9900 .7458 -.6496 .6691 .3221 .4667 -.0770 13 SER 13 -3.7598 999.9900 -.7153 999.9900 .6705 -1.2682 .6787 .5349 .5948 -.5182 14 GLU 14 -3.2255 .3424 999.9900 1.7325 .6899 -.1152 .6808 .5270 .5911 .1245 15 GLU 15 -3.2255 -1.5476 999.9900 1.1588 .6899 -.7311 .6803 .5251 .5897 -.2865 16 GLY 16 .7683 999.9900 999.9900 999.9900 .7883 .7783 .5714 .4649 .5123 .6482 17 GLN 17 -.3854 -2.6982 999.9900 1.3059 .5113 -.3166 .6827 .5214 .5886 -.0104 18 VAL 18 .0815 999.9900 .5873 999.9900 .7810 .4833 .6591 .1239 .3469 .4466 19 ILE 19 -.2299 -.5302 999.9900 999.9900 .6034 -.0523 .6548 .0331 .2921 .1062 20 ALA 20 -.8335 999.9900 999.9900 999.9900 .7458 -.0439 .6617 .3157 .4599 .2224 21 CYS 21 -.6060 999.9900 .1296 999.9900 .9108 .1448 .6817 .3116 .4658 .2856 22 HIS 22 -.9209 .4588 999.9900 999.9900 .6686 .0688 .6744 .3174 .4661 .2396 23 THR 23 -.8088 999.9900 -.8810 999.9900 .4476 -.4141 .6602 -.2595 .1237 -.1683 24 VAL 24 .7260 999.9900 -1.0788 999.9900 .7810 .1428 .6544 .1275 .3471 .2421 25 GLU 25 .7157 -1.2470 999.9900 -1.0323 .6899 -.2184 .6769 .5223 .5867 .0543 26 THR 26 .7717 999.9900 -.8810 999.9900 .4476 .1128 .6592 -.2499 .1289 .1495 27 TRP 27 .9545 -1.3095 999.9900 999.9900 .9378 .1943 .6753 .1844 .3889 .2885 28 ASN 28 .9310 -2.7010 999.9900 999.9900 .7518 -.3394 .6766 .3788 .5029 .0075 29 GLU 29 .8604 .0298 999.9900 -1.0323 .6899 .1369 .6821 .5220 .5887 .2920 30 GLN 30 .7370 -2.6982 999.9900 2.7911 .5113 .3353 .6745 .5240 .5867 .4233 31 LEU 31 .8182 -1.6805 999.9900 999.9900 .9565 .0314 .6805 .1535 .3731 .1857 32 GLN 32 .7451 -2.6982 999.9900 1.3059 .5113 -.0340 .6778 .5258 .5891 .1779 33 LYS 33 .8536 -.9566 999.9900 -.4035 .7460 -.0328 .6794 .1607 .3768 .0966 34 ALA 34 -.1584 999.9900 999.9900 999.9900 .7458 .2937 .6636 .3251 .4661 .3940 35 ASN 35 .6990 -1.1653 999.9900 999.9900 .7518 .0952 .6695 .3787 .4998 .2667 36 GLU 36 .1449 -2.8418 999.9900 -1.0323 .6899 -.7598 .6755 .5232 .5866 -.3068 37 SER 37 -.6681 999.9900 -.7153 999.9900 .6705 -.2376 .6781 .5347 .5945 .1000 38 LYS 38 -1.2247 -1.9682 999.9900 .6177 .7460 -.2423 .6741 .1531 .3701 -.0549 39 THR 39 -.1996 999.9900 -.8810 999.9900 .4476 -.2110 .6606 -.2541 .1270 -.0453 40 LEU 40 -.1479 -3.3760 999.9900 999.9900 .9565 -.8558 .6758 .1437 .3654 -.3496 41 VAL 41 .3116 999.9900 -1.0788 999.9900 .7810 .0046 .6565 .1219 .3446 .1585 42 VAL 42 .5686 999.9900 -1.0788 999.9900 .7810 .0903 .6611 .1166 .3435 .2097 43 VAL 43 -.3818 999.9900 .5873 999.9900 .7810 .3289 .6577 .1168 .3422 .3522 44 ASP 44 -.1312 -3.7306 999.9900 999.9900 .8104 -1.0171 .6783 .3868 .5082 -.3973 45 PHE 45 -.2560 -1.2232 999.9900 999.9900 .7573 -.2406 .6810 .1078 .3466 .0134 46 THR 46 -.0676 999.9900 -.8810 999.9900 .4476 -.1670 .6610 -.2615 .1229 -.0203 47 ALA 47 -1.1160 999.9900 999.9900 999.9900 .7458 -.1851 .6658 .3254 .4672 .1553 48 SER 48 .6980 999.9900 -.7153 999.9900 .6705 .2177 .6770 .5398 .5969 .3740 49 TRP 49 -1.3140 -1.6686 999.9900 999.9900 .9378 -.6816 .6818 .1967 .3988 -.2333 50 CYS 50 -1.0658 -2.0054 999.9900 .2382 .9108 -.4805 .6739 .3105 .4619 -.1563 51 GLY 51 -2.2927 999.9900 999.9900 999.9900 .7883 -.7522 .3594 .4813 .4271 -.1659 52 PRO 52 -.4052 999.9900 999.9900 999.9900 .4496 .0222 .5417 -.3756 .0066 .0526 53 CYS 53 1.1322 -2.0054 999.9900 .2382 .9108 .0690 .6734 .2976 .4542 .2078 54 ARG 54 .6041 -1.7413 999.9900 .1593 .8581 .0079 .6772 .5167 .5835 .1762 55 PHE 55 -1.4579 -.8691 999.9900 999.9900 .7573 -.5232 .6755 .0968 .3379 -.1595 56 ILE 56 -1.5193 -2.1272 999.9900 999.9900 .6034 -1.0143 .6538 .0426 .2973 -.4693 57 ALA 57 .7636 999.9900 999.9900 999.9900 .7458 .7547 .4842 .3248 .3912 .5796 58 PRO 58 -1.1138 999.9900 999.9900 999.9900 .4496 -.3321 .5541 -.3807 .0088 -.1227 59 PHE 59 .4032 -2.6964 999.9900 999.9900 .7573 -.5120 .6790 .0967 .3393 -.1520 60 PHE 60 .8041 -4.3038 999.9900 999.9900 .7573 -.9141 .6769 .1069 .3444 -.3917 61 ALA 61 .7636 999.9900 999.9900 999.9900 .7458 .7547 .6675 .3150 .4619 .6230 62 ASP 62 1.3227 -2.8653 999.9900 999.9900 .8104 -.2441 .6815 .3865 .5094 .0672 63 LEU 63 .2355 -2.9612 999.9900 999.9900 .9565 -.5897 .6734 .1628 .3756 -.1866 64 ALA 64 .6648 999.9900 999.9900 999.9900 .7458 .7053 .6603 .3208 .4623 .5979 65 LYS 65 -.4018 -.3404 999.9900 -.0397 .7460 -.0151 .6779 .1526 .3715 .1078 66 LYS 66 -.8267 -1.5918 999.9900 -.0770 .7460 -.3653 .6759 .1521 .3704 -.1426 67 LEU 67 -1.0000 -2.4128 999.9900 999.9900 .9565 -.8188 .4847 .1561 .2930 -.3631 68 PRO 68 -4.5055 999.9900 999.9900 999.9900 .4496 -2.0279 .5279 -.4019 -.0145 -.9825 69 ASN 69 -1.7258 -3.3254 999.9900 999.9900 .7518 -1.4331 .6710 .3775 .4998 -.6502 70 VAL 70 .3116 999.9900 -1.0788 999.9900 .7810 .0046 .6610 .1285 .3504 .1607 71 LEU 71 -.4065 -3.3760 999.9900 999.9900 .9565 -.9420 .6721 .1489 .3669 -.4010 72 PHE 72 .0966 -.4548 999.9900 999.9900 .7573 .1330 .6789 .1033 .3432 .2363 73 LEU 73 -.5178 -2.5464 999.9900 999.9900 .9565 -.7025 .6845 .1515 .3736 -.2543 74 LYS 74 -.2858 -.8530 999.9900 -.0397 .7460 -.0944 .6803 .1586 .3760 .0524 75 VAL 75 .3758 999.9900 .5873 999.9900 .7810 .5814 .6615 .1093 .3394 .5030 76 ASP 76 .1056 -2.8653 999.9900 999.9900 .8104 -.6498 .6792 .3761 .5024 -.1788 77 THR 77 .1314 999.9900 .4804 999.9900 .4476 .3531 .6505 -.2485 .1261 .2923 78 ASP 78 1.1359 -.1779 999.9900 999.9900 .8104 .5895 .6789 .3881 .5092 .5671 79 GLU 79 -1.6450 -2.8418 999.9900 -1.0323 .6899 -1.2073 .6803 .5188 .5861 -.6050 80 LEU 80 -2.4740 -2.0611 999.9900 999.9900 .9565 -1.1929 .6731 .1534 .3700 -.5504 81 LYS 81 .7090 -1.6955 999.9900 .4411 .7460 .1284 .6729 .1604 .3739 .2107 82 SER 82 1.1864 999.9900 -.7153 999.9900 .6705 .3805 .6813 .5347 .5958 .4715 83 VAL 83 .7683 999.9900 -1.0788 999.9900 .7810 .1569 .6618 .1147 .3427 .2494 84 ALA 84 .6496 999.9900 999.9900 999.9900 .7458 .6977 .6692 .3264 .4692 .5978 85 SER 85 1.0911 999.9900 -.7153 999.9900 .6705 .3488 .6764 .5371 .5951 .4520 86 ASP 86 .9921 -1.8420 999.9900 999.9900 .8104 -.0132 .6777 .3879 .5086 .2052 87 TRP 87 -.6038 -.0877 999.9900 999.9900 .9378 .0821 .6798 .1900 .3941 .2232 88 ALA 88 -2.4409 999.9900 999.9900 999.9900 .7458 -.8476 .6586 .3223 .4624 -.1786 89 ILE 89 -.8627 -.6139 999.9900 999.9900 .6034 -.2911 .6601 .0578 .3087 -.0311 90 GLN 90 -1.0351 -1.4944 999.9900 1.3059 .5113 -.1781 .6776 .5186 .5848 .0806 91 ALA 91 -1.0624 999.9900 999.9900 999.9900 .7458 -.1583 .6611 .3125 .4578 .1643 92 MET 92 -.6588 -.9517 999.9900 .9587 -1.9874 -.6598 .4841 .5210 .5056 -.2723 93 PRO 93 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5473 -.3585 .0189 .2646 94 THR 94 .4909 999.9900 -.8810 999.9900 .4476 .0192 .6594 -.2356 .1373 .0962 95 PHE 95 -.2255 -3.3183 999.9900 999.9900 .7573 -.9288 .6830 .0910 .3376 -.4025 96 MET 96 -.2651 .0095 999.9900 1.7963 .5203 .5152 .6803 .5217 .5878 .5438 97 PHE 97 .0058 -3.3183 999.9900 999.9900 .7573 -.8517 .6772 .1053 .3436 -.3545 98 LEU 98 -1.1512 -3.3760 999.9900 999.9900 .9565 -1.1902 .6802 .1485 .3700 -.5484 99 LYS 99 -.6960 -.2831 999.9900 -.0770 .7460 -.0774 .6725 .1532 .3696 .0627 100 GLU 100 -1.4621 .1870 999.9900 1.1588 .6899 .1434 .6727 .5189 .5830 .2942 101 GLY 101 1.1139 999.9900 999.9900 999.9900 .7883 .9511 .5952 .4812 .5319 .7446 102 LYS 102 -.3350 -.8217 999.9900 .1140 .7460 -.0365 .6793 .1495 .3703 .0923 103 ILE 103 -1.3252 .5533 999.9900 999.9900 .6034 -.0562 .6572 .0330 .2931 .1044 104 LEU 104 -2.1729 -.9670 999.9900 999.9900 .9565 -.7278 .6756 .1516 .3699 -.2713 105 ASP 105 -.6293 -3.1847 999.9900 999.9900 .8104 -1.0012 .6779 .3917 .5109 -.3868 106 LYS 106 -.2978 -.2178 999.9900 .3546 .7460 .1880 .6754 .1460 .3666 .2516 107 VAL 107 -.3161 999.9900 -.2457 999.9900 .7810 .0731 .6603 .1189 .3445 .1997 108 VAL 108 -.0951 999.9900 -1.0788 999.9900 .7810 -.1310 .6542 .1213 .3433 .0765 109 GLY 109 -.1914 999.9900 999.9900 999.9900 .7883 .2985 .5792 .4694 .5182 .4114 110 ALA 110 -1.4499 999.9900 999.9900 999.9900 .7458 -.3521 .6609 .3284 .4670 .0713 111 LYS 111 -.9887 -2.1617 999.9900 -.4035 .7460 -.6423 .6793 .1615 .3772 -.3387 112 LYS 112 1.2214 -2.1617 999.9900 .8416 .7460 .2978 .6785 .1497 .3700 .3310 113 ASP 113 .6354 -1.2611 999.9900 999.9900 .8104 .0616 .6754 .3782 .5020 .2476 114 GLU 114 .7157 -.3559 999.9900 -1.0323 .6899 .0044 .6791 .5250 .5892 .2036 115 LEU 115 .2355 -2.7185 999.9900 999.9900 .9565 -.5088 .6748 .1587 .3737 -.1386 116 GLN 116 .1632 -1.6169 999.9900 1.3059 .5113 .0909 .6791 .5256 .5896 .2614 117 SER 117 .8651 999.9900 -.7153 999.9900 .6705 .2734 .6810 .5390 .5982 .4081 118 THR 118 .7717 999.9900 .8779 999.9900 .4476 .6991 .6604 -.2473 .1309 .5021 119 ILE 119 .6852 -.2003 999.9900 999.9900 .6034 .3628 .6600 .0401 .2984 .3577 120 ALA 120 .5364 999.9900 999.9900 999.9900 .7458 .6411 .6688 .3224 .4667 .5684 121 LYS 121 1.0429 -2.4344 999.9900 -.4035 .7460 -.2905 .6822 .1547 .3745 -.0879 122 HIS 122 .1567 .6357 999.9900 999.9900 .6686 .4870 .6784 .3143 .4660 .4907 123 LEU 123 -1.4828 -3.3760 999.9900 999.9900 .9565 -1.3008 .6830 .1483 .3711 -.6142 124 ALA 124 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .6514 .2578 .4265 .4546 Means: -.3569 -1.7416 -.5069 .2867 .7026 -.2340 .6592 .2393 .4147 .0308 2.00 analyzed_7