1 MET 1 999.9900 -1.5870 999.9900 .9587 .5203 -.0360 .6731 .5097 .5840 .2150 2 ALA 2 -1.4845 999.9900 999.9900 999.9900 .7458 -.3694 .6667 .3222 .4657 .0625 3 ASP 3 -1.5723 -3.1847 999.9900 999.9900 .8104 -1.3155 .6795 .3813 .5055 -.5772 4 THR 4 -2.3261 999.9900 -.8810 999.9900 .4476 -.9199 .6580 -.2727 .1151 -.4749 5 GLY 5 -1.0150 999.9900 999.9900 999.9900 .7883 -.1133 .5844 .4780 .5253 .2089 6 GLU 6 -3.2255 .6653 999.9900 -1.0323 .6899 -.7257 .6749 .5213 .5853 -.2844 7 VAL 7 -.0582 999.9900 -1.0788 999.9900 .7810 -.1186 .6534 .1314 .3489 .0858 8 GLN 8 -.4791 -.6527 999.9900 1.3059 .5113 .1714 .6783 .5229 .5877 .3144 9 PHE 9 -.6363 .5902 999.9900 999.9900 .7573 .2371 .6738 .0917 .3342 .2953 10 MET 10 -.5247 -1.3058 999.9900 .9587 .5203 -.0879 .6730 .5120 .5791 .1389 11 LYS 11 -.5771 -1.8181 999.9900 -.4035 .7460 -.4913 .4907 .1561 .2955 -.2585 12 PRO 12 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5370 -.3716 .0070 .2474 13 PHE 13 -.0803 -3.3183 999.9900 999.9900 .7573 -.8804 .6821 .0986 .3417 -.3721 14 ILE 14 .2866 -2.0226 999.9900 999.9900 .6034 -.3775 .6581 .0409 .2981 -.0867 15 SER 15 .4640 999.9900 -.7153 999.9900 .6705 .1397 .6739 .5240 .5865 .3234 16 GLU 16 .0765 -2.3808 999.9900 .3501 .6899 -.3161 .6768 .5241 .5877 -.0106 17 LYS 17 -.9253 -2.1617 999.9900 .4411 .7460 -.2917 .6865 .1586 .3786 -.0876 18 SER 18 -.3100 999.9900 -.7153 999.9900 .6705 -.1183 .6772 .5281 .5902 .1701 19 SER 19 .5030 999.9900 -.7153 999.9900 .6705 .1527 .6743 .5328 .5918 .3331 20 LYS 20 -3.5196 -2.1617 999.9900 .5131 .7460 -.7818 .6827 .1573 .3762 -.4384 21 SER 21 .0280 999.9900 -.0289 999.9900 .6705 .2232 .6816 .5451 .6020 .3793 22 LEU 22 -.6154 -3.3760 999.9900 999.9900 .9565 -1.0116 .6799 .1515 .3717 -.4407 23 GLU 23 -.4325 -.2533 999.9900 .3501 .6899 .0885 .6763 .5220 .5863 .2587 24 ILE 24 .2593 -1.3043 999.9900 999.9900 .6034 -.1472 .4711 .0558 .2289 .0171 25 PRO 25 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5404 -.3829 .0018 .1548 26 LEU 26 .0133 -1.5262 999.9900 999.9900 .9565 -.1854 .6745 .1629 .3761 .0562 27 GLY 27 -.3460 999.9900 999.9900 999.9900 .7883 .2211 .5716 .4693 .5148 .3708 28 PHE 28 -.5116 -1.6164 999.9900 999.9900 .7573 -.4569 .6762 .0988 .3394 -.1191 29 ASN 29 1.3908 -2.0766 999.9900 999.9900 .7518 .0220 .6763 .3711 .4983 .2227 30 GLU 30 .0468 -2.1111 999.9900 1.7325 .6899 .0895 .6781 .5313 .5925 .2613 31 TYR 31 -.0710 -4.1972 999.9900 999.9900 .5630 -1.2351 .6804 -.1562 .1924 -.6362 32 PHE 32 -3.6149 -.4925 999.9900 999.9900 .7573 -1.1167 .4913 .1015 .2639 -.5514 33 PRO 33 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5459 -.3753 .0086 .2487 34 ALA 34 -.4433 999.9900 999.9900 999.9900 .7458 .1513 .4696 .3163 .3802 .2721 35 PRO 35 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5405 -.3844 .0010 .2564 36 PHE 36 -1.3242 -.9090 999.9900 999.9900 .7573 -.4920 .4991 .1035 .2683 -.1747 37 PRO 37 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5557 -.3435 .0312 .2124 38 ILE 38 -.2490 -2.2551 999.9900 999.9900 .6034 -.6336 .6585 .0496 .3033 -.2385 39 THR 39 -.5707 999.9900 -.2947 999.9900 .4476 -.1393 .6561 -.2543 .1251 -.0032 40 VAL 40 -.0582 999.9900 .9747 999.9900 .7810 .5658 .6587 .1209 .3450 .4954 41 ASP 41 -1.0681 1.0966 999.9900 999.9900 .8104 .2796 .6782 .3812 .5049 .3797 42 LEU 42 -.4930 -.0413 999.9900 999.9900 .9565 .1407 .6786 .1575 .3746 .2517 43 LEU 43 -.3571 -2.5464 999.9900 999.9900 .9565 -.6490 .6758 .1441 .3656 -.2254 44 ASP 44 -1.5212 -2.3194 999.9900 999.9900 .8104 -1.0101 .6810 .3865 .5092 -.3925 45 TYR 45 -1.8643 -4.1972 999.9900 999.9900 .5630 -1.8328 .6766 -.2025 .1638 -1.0049 46 SER 46 -3.7598 999.9900 -.7153 999.9900 .6705 -1.2682 .6742 .5306 .5904 -.5200 47 GLY 47 -2.1575 999.9900 999.9900 999.9900 .7883 -.6846 .5744 .4699 .5163 -.0812 48 ARG 48 -.5733 .1897 999.9900 .1593 .8581 .1586 .6787 .5229 .5878 .2850 49 SER 49 .0374 999.9900 .8786 999.9900 .6705 .5289 .6760 .5316 .5918 .5588 50 TRP 50 -.3875 -.6490 999.9900 999.9900 .9378 -.0329 .6723 .1943 .3935 .1536 51 THR 51 .0164 999.9900 .4804 999.9900 .4476 .3148 .6544 -.2420 .1315 .2714 52 VAL 52 -.0145 999.9900 -.5532 999.9900 .7810 .0711 .6565 .1203 .3438 .1981 53 ARG 53 -.4063 -2.3766 999.9900 .1593 .8581 -.3212 .6748 .5166 .5825 -.0592 54 MET 54 -.0824 .1642 999.9900 .9587 .5203 .3902 .6693 .5118 .5774 .4570 55 LYS 55 -.4160 -1.3520 999.9900 -.4035 .7460 -.3658 .6800 .1467 .3689 -.1432 56 LYS 56 -.3543 -1.2293 999.9900 -.4035 .7460 -.3289 .6734 .1544 .3706 -.1167 57 ARG 57 -1.4318 -1.4154 999.9900 .1593 .8581 -.3341 .6761 .5297 .5907 -.0664 58 GLY 58 -.5999 999.9900 999.9900 999.9900 .7883 .0942 .5766 .4756 .5205 .3101 59 GLU 59 -.6726 -2.3808 999.9900 -1.0323 .6899 -.8490 .6772 .5254 .5887 -.3655 60 LYS 60 -.3038 -1.1755 999.9900 .1731 .7460 -.0774 .6794 .1485 .3697 .0629 61 VAL 61 -.0145 999.9900 .5873 999.9900 .7810 .4513 .6594 .1186 .3439 .4264 62 PHE 62 -.2058 .3498 999.9900 999.9900 .7573 .3004 .6809 .0941 .3386 .3353 63 LEU 63 -.7582 -3.3760 999.9900 999.9900 .9565 -1.0592 .6776 .1724 .3829 -.4655 64 THR 64 -4.2065 999.9900 -.8810 999.9900 .4476 -1.5467 .6564 -.2529 .1260 -.8473 65 VAL 65 -1.2071 999.9900 -.0276 999.9900 .7810 -.1512 .6589 .1303 .3506 .0671 66 GLY 66 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .5852 .4716 .5221 -.1533 67 TRP 67 .2222 -3.3859 999.9900 999.9900 .9378 -.7419 .6779 .1866 .3913 -.2723 68 GLU 68 .6116 -2.8418 999.9900 1.7325 .6899 .0481 .6771 .5232 .5873 .2321 69 ASN 69 1.3908 -2.0766 999.9900 999.9900 .7518 .0220 .6784 .3871 .5085 .2263 70 PHE 70 .8041 -.8499 999.9900 999.9900 .7573 .2372 .6658 .0937 .3321 .2942 71 VAL 71 .9834 999.9900 -1.0788 999.9900 .7810 .2286 .6563 .1324 .3507 .2949 72 LYS 72 .6780 -1.2293 999.9900 .3240 .7460 .1685 .6799 .1624 .3780 .2407 73 ASP 73 .2706 -2.0928 999.9900 999.9900 .8104 -.3373 .6748 .3883 .5077 .0103 74 ASN 74 .2400 -2.7010 999.9900 999.9900 .7518 -.5697 .6741 .3908 .5088 -.1288 75 ASN 75 -3.4329 -.2921 999.9900 999.9900 .7518 -.9910 .6773 .3812 .5045 -.3829 76 LEU 76 -.4552 .2036 999.9900 999.9900 .9565 .2350 .6757 .1434 .3652 .3048 77 GLU 77 -1.1499 -1.3104 999.9900 1.1588 .6899 -.1529 .6727 .5194 .5833 .0968 78 ASP 78 -.9954 -1.5978 999.9900 999.9900 .8104 -.5943 .6830 .3854 .5094 -.1429 79 GLY 79 -2.1575 999.9900 999.9900 999.9900 .7883 -.6846 .5780 .4557 .5100 -.0839 80 LYS 80 -.7762 -1.9682 999.9900 .3546 .7460 -.2578 .6759 .1599 .3749 -.0648 81 TYR 81 .0868 .0090 999.9900 999.9900 .5630 .2196 .6728 -.1755 .1779 .2312 82 LEU 82 -.4552 -3.3760 999.9900 999.9900 .9565 -.9582 .6792 .1557 .3738 -.4080 83 GLN 83 -.2750 -.5916 999.9900 1.3059 .5113 .2377 .6770 .5164 .5833 .3573 84 PHE 84 -.2457 -2.8600 999.9900 999.9900 .7573 -.7828 .6757 .1056 .3432 -.3134 85 ILE 85 .3408 -1.5793 999.9900 999.9900 .6034 -.2117 .6667 .0494 .3066 .0162 86 TYR 86 .4225 -4.1972 999.9900 999.9900 .5630 -1.0706 .6761 -.1769 .1785 -.5425 87 ASP 87 -.6028 -3.1847 999.9900 999.9900 .8104 -.9924 .6722 .3844 .5043 -.3841 88 ARG 88 -1.2976 -.2494 999.9900 .1593 .8581 -.0740 .6762 .5250 .5880 .1187 89 ASP 89 -2.8635 -2.1980 999.9900 999.9900 .8104 -1.4171 .6781 .3871 .5084 -.6372 90 ARG 90 -1.7561 -1.0274 999.9900 1.0856 .8581 .0491 .6833 .5282 .5928 .2082 91 THR 91 -.0150 999.9900 .4804 999.9900 .4476 .3043 .6588 -.2555 .1255 .2633 92 PHE 92 .1097 -4.3038 999.9900 999.9900 .7573 -1.1456 .6778 .1128 .3482 -.5293 93 TYR 93 .2641 -4.1972 999.9900 999.9900 .5630 -1.1234 .6814 -.1726 .1832 -.5723 94 VAL 94 -.9687 999.9900 .5873 999.9900 .7810 .1332 .6550 .1213 .3437 .2352 95 ILE 95 -.7007 .8809 999.9900 999.9900 .6034 .2612 .6675 .0459 .3049 .2994 96 ILE 96 .2593 -2.0226 999.9900 999.9900 .6034 -.3867 .6568 .0421 .2982 -.0922 97 TYR 97 -.6832 .8258 999.9900 999.9900 .5630 .2352 .6722 -.1652 .1837 .2425 98 GLY 98 -1.3427 999.9900 999.9900 999.9900 .7883 -.2772 .5756 .4617 .5123 .1207 99 HIS 99 -1.7665 -3.1083 999.9900 999.9900 .6686 -1.4021 .6802 .3120 .4654 -.6428 100 ASN 100 -3.4329 -1.8756 999.9900 999.9900 .7518 -1.5189 .6717 .3761 .4993 -.7018 101 MET 101 -.7108 -2.5481 999.9900 .9587 .5203 -.4450 .6782 .5167 .5840 -.0975 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .6753 .2576 .4366 .3542 Means: -.6519 -1.6878 -.1877 .3678 .7095 -.3025 .6518 .2125 .3964 -.0199 2.00 analyzed_1