1 MET 1 999.9900 -2.5481 999.9900 .9587 .5203 -.3564 .6734 .5015 .5796 .0211 2 GLY 2 -1.3851 999.9900 999.9900 999.9900 .7883 -.2984 .5725 .4730 .5172 .1122 3 HIS 3 -2.5191 -.1773 999.9900 999.9900 .6686 -.6759 .6691 .3127 .4612 -.2092 4 HIS 4 -.1684 -.8163 999.9900 999.9900 .6686 -.1054 .6786 .3261 .4730 .1377 5 HIS 5 -3.0884 -.0314 999.9900 999.9900 .6686 -.8171 .6805 .3197 .4700 -.2902 6 HIS 6 -2.5191 .8055 999.9900 999.9900 .6686 -.3483 .6786 .3347 .4780 -.0063 7 HIS 7 -.6280 -3.1083 999.9900 999.9900 .6686 -1.0226 .6748 .3167 .4659 -.4152 8 HIS 8 -1.1190 -2.0147 999.9900 999.9900 .6686 -.8217 .6751 .3230 .4697 -.2934 9 LEU 9 -2.6981 -.5109 999.9900 999.9900 .9565 -.7509 .6723 .1624 .3748 -.2836 10 GLU 10 -2.8104 -2.3808 999.9900 1.1588 .6899 -.8356 .6695 .5201 .5823 -.3588 11 MET 11 -.6343 -2.0676 999.9900 .9587 .5203 -.3057 .6740 .5136 .5805 -.0059 12 ALA 12 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6699 .3062 .4577 -.4357 13 SER 13 -2.3021 999.9900 -.7153 999.9900 .6705 -.7823 .6792 .5298 .5920 -.2276 14 GLU 14 -2.0601 -1.0407 999.9900 -1.0323 .6899 -.8608 .6744 .5226 .5859 -.3744 15 GLU 15 -2.1524 -.4584 999.9900 .3501 .6899 -.3927 .6740 .5230 .5859 -.0623 16 GLY 16 .7683 999.9900 999.9900 999.9900 .7883 .7783 .5669 .4611 .5081 .6461 17 GLN 17 -.4306 -2.6982 999.9900 1.3059 .5113 -.3279 .6794 .5223 .5877 -.0183 18 VAL 18 -.6656 999.9900 -1.0788 999.9900 .7810 -.3211 .6566 .1289 .3487 -.0356 19 ILE 19 -.3198 -.9795 999.9900 999.9900 .6034 -.2320 .6530 .0410 .2960 -.0004 20 ALA 20 -.7843 999.9900 999.9900 999.9900 .7458 -.0193 .6701 .3229 .4676 .2386 21 CYS 21 -.5218 999.9900 .1296 999.9900 .9108 .1729 .6750 .2993 .4558 .2986 22 HIS 22 -.9209 .0958 999.9900 999.9900 .6686 -.0522 .6773 .3271 .4730 .1696 23 THR 23 -.8088 999.9900 .6346 999.9900 .4476 .0911 .6572 -.2608 .1217 .1340 24 VAL 24 .3707 999.9900 -1.0788 999.9900 .7810 .0243 .6530 .1095 .3360 .1671 25 GLU 25 .7157 -1.7714 999.9900 -1.0323 .6899 -.3495 .6764 .5181 .5840 -.0339 26 THR 26 .8748 999.9900 -.8810 999.9900 .4476 .1471 .6568 -.2496 .1280 .1697 27 TRP 27 .3500 -1.9067 999.9900 999.9900 .9378 -.2063 .6730 .1873 .3897 .0483 28 ASN 28 .9310 -2.0766 999.9900 999.9900 .7518 -.1312 .6771 .3766 .5018 .1320 29 GLU 29 .7157 -1.1891 999.9900 -1.0323 .6899 -.2040 .6769 .5178 .5841 .0631 30 GLN 30 .7370 -2.6982 999.9900 2.7911 .5113 .3353 .6768 .5214 .5861 .4232 31 LEU 31 .9913 -1.6805 999.9900 999.9900 .9565 .0891 .6806 .1586 .3761 .2213 32 GLN 32 .7451 -2.6982 999.9900 1.3059 .5113 -.0340 .6789 .5186 .5854 .1769 33 LYS 33 .8536 .0465 999.9900 -.4035 .7460 .1678 .6766 .1495 .3691 .2379 34 ALA 34 .5364 999.9900 999.9900 999.9900 .7458 .6411 .6662 .3224 .4657 .5677 35 ASN 35 .6990 -2.3357 999.9900 999.9900 .7518 -.2950 .6765 .3808 .5040 .0345 36 GLU 36 .6116 .3083 999.9900 -1.0323 .6899 .1444 .6795 .5218 .5875 .2964 37 SER 37 .2458 999.9900 -.7153 999.9900 .6705 .0670 .6786 .5348 .5947 .2829 38 LYS 38 -1.0405 -.9951 999.9900 -.0397 .7460 -.2738 .6817 .1590 .3768 -.0755 39 THR 39 -.1996 999.9900 -.8810 999.9900 .4476 -.2110 .6493 -.2469 .1265 -.0461 40 LEU 40 -.3299 -3.3760 999.9900 999.9900 .9565 -.9165 .6771 .1545 .3723 -.3836 41 VAL 41 .3116 999.9900 -.5532 999.9900 .7810 .1798 .6591 .1207 .3450 .2639 42 VAL 42 .4158 999.9900 -1.0788 999.9900 .7810 .0394 .6607 .1230 .3471 .1804 43 VAL 43 -.1306 999.9900 .5873 999.9900 .7810 .4126 .6613 .1308 .3518 .4060 44 ASP 44 -.2609 -1.1646 999.9900 999.9900 .8104 -.2050 .6810 .3871 .5096 .0906 45 PHE 45 -.0400 -.5318 999.9900 999.9900 .7573 .0618 .6765 .1007 .3406 .1926 46 THR 46 .2328 999.9900 -.8810 999.9900 .4476 -.0669 .6555 -.2504 .1270 .0409 47 ALA 47 -.5406 999.9900 999.9900 999.9900 .7458 .1026 .6690 .3263 .4691 .3001 48 SER 48 .6980 999.9900 1.9667 999.9900 .6705 1.1117 .6737 .5254 .5872 .9069 49 TRP 49 -1.3140 -1.0414 999.9900 999.9900 .9378 -.4725 .6780 .1894 .3930 -.1100 50 CYS 50 -1.0658 -2.0054 999.9900 .2382 .9108 -.4805 .6778 .3281 .4738 -.1527 51 GLY 51 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .3624 .4672 .4206 -.4671 52 PRO 52 -.1156 999.9900 999.9900 999.9900 .4496 .1670 .5475 -.3636 .0160 .1295 53 CYS 53 .4024 -2.0054 999.9900 .2382 .9108 -.1135 .6791 .3240 .4720 .0915 54 ARG 54 .6041 -1.7413 999.9900 1.6084 .8581 .5875 .6801 .5257 .5900 .5919 55 PHE 55 -.5871 -3.0602 999.9900 999.9900 .7573 -.9633 .6792 .1038 .3435 -.4214 56 ILE 56 -1.5193 -3.0500 999.9900 999.9900 .6034 -1.3220 .6560 .0530 .3043 -.6514 57 ALA 57 .7636 999.9900 999.9900 999.9900 .7458 .7547 .4751 .3214 .3854 .5765 58 PRO 58 -1.1138 999.9900 999.9900 999.9900 .4496 -.3321 .5411 -.3699 .0097 -.1232 59 PHE 59 1.1962 -1.8165 999.9900 999.9900 .7573 .0457 .6749 .1105 .3457 .1845 60 PHE 60 .6090 -.4306 999.9900 999.9900 .7573 .3119 .6793 .1019 .3425 .3434 61 ALA 61 .6496 999.9900 999.9900 999.9900 .7458 .6977 .6642 .3237 .4656 .5958 62 ASP 62 1.3227 -1.2276 999.9900 999.9900 .8104 .3018 .6679 .3720 .4953 .3891 63 LEU 63 .4996 -2.2115 999.9900 999.9900 .9565 -.2518 .6701 .1578 .3713 .0145 64 ALA 64 .5364 999.9900 999.9900 999.9900 .7458 .6411 .6642 .3168 .4615 .5658 65 LYS 65 .3654 -.6131 999.9900 -.4035 .7460 -.0617 .6737 .1488 .3675 .0734 66 LYS 66 -.6960 -1.9682 999.9900 -.0770 .7460 -.4144 .6757 .1530 .3708 -.1776 67 LEU 67 -1.5047 -2.3037 999.9900 999.9900 .9565 -.9506 .4765 .1548 .2888 -.4441 68 PRO 68 -2.3165 999.9900 999.9900 999.9900 .4496 -.9334 .5380 -.3880 -.0022 -.4292 69 ASN 69 -.3482 -1.5725 999.9900 999.9900 .7518 -.3896 .6791 .3788 .5039 -.0222 70 VAL 70 -.3682 999.9900 .2799 999.9900 .7810 .2309 .6582 .1094 .3381 .2921 71 LEU 71 -.1655 -3.3760 999.9900 999.9900 .9565 -.8617 .6742 .1500 .3684 -.3522 72 PHE 72 .1161 -.0015 999.9900 999.9900 .7573 .2906 .6795 .0958 .3390 .3295 73 LEU 73 -.3075 -2.4128 999.9900 999.9900 .9565 -.5879 .6758 .1516 .3700 -.1873 74 LYS 74 -.1867 -1.5020 999.9900 .1140 .7460 -.1429 .6812 .1496 .3711 .0166 75 VAL 75 .3116 999.9900 .3968 999.9900 .7810 .4965 .6611 .1202 .3456 .4542 76 ASP 76 .0771 -1.9171 999.9900 999.9900 .8104 -.3432 .6776 .3793 .5036 .0055 77 THR 77 -.4045 999.9900 .6346 999.9900 .4476 .2259 .6521 -.2611 .1194 .2137 78 ASP 78 1.1285 -2.3194 999.9900 999.9900 .8104 -.1268 .6789 .3836 .5066 .1364 79 GLU 79 -2.0601 -1.7714 999.9900 -1.0323 .6899 -1.0435 .6745 .5220 .5856 -.4962 80 LEU 80 -2.5767 -3.3760 999.9900 999.9900 .9565 -1.6654 .6734 .1506 .3684 -.8344 81 LYS 81 1.0838 -1.6955 999.9900 -.4035 .7460 -.1345 .6783 .1532 .3720 .0227 82 SER 82 1.1864 999.9900 -.7153 999.9900 .6705 .3805 .6769 .5257 .5887 .4688 83 VAL 83 .3041 999.9900 .1416 999.9900 .7810 .4089 .6603 .1208 .3456 .4016 84 ALA 84 .5799 999.9900 999.9900 999.9900 .7458 .6629 .6684 .3204 .4654 .5786 85 SER 85 .8651 999.9900 -.7153 999.9900 .6705 .2734 .6768 .5340 .5935 .4062 86 ASP 86 .9921 -1.5978 999.9900 999.9900 .8104 .0682 .6723 .3779 .5006 .2510 87 TRP 87 -.7409 .2071 999.9900 999.9900 .9378 .1346 .6799 .1881 .3930 .2544 88 ALA 88 -2.4409 999.9900 999.9900 999.9900 .7458 -.8476 .6716 .3218 .4675 -.1755 89 ILE 89 -3.6908 -.0414 999.9900 999.9900 .6034 -1.0429 .6563 .0391 .2962 -.4867 90 GLN 90 -.9283 -1.9601 999.9900 1.3059 .5113 -.2678 .6787 .5240 .5885 .0219 91 ALA 91 -.7791 999.9900 999.9900 999.9900 .7458 -.0166 .6665 .3226 .4658 .2389 92 MET 92 -.5247 -.9517 999.9900 .9587 -1.9874 -.6263 .4783 .5196 .5024 -.2512 93 PRO 93 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5279 -.3705 .0038 .2567 94 THR 94 .4874 999.9900 -.8810 999.9900 .4476 .0180 .6532 -.2455 .1290 .0923 95 PHE 95 -.2255 -.9296 999.9900 999.9900 .7573 -.1326 .6765 .1046 .3429 .0766 96 MET 96 -.4857 .0095 999.9900 .9587 .5203 .2507 .6715 .5191 .5826 .3656 97 PHE 97 -.4973 -2.8600 999.9900 999.9900 .7573 -.8667 .6846 .1195 .3549 -.3592 98 LEU 98 -1.1512 -2.4128 999.9900 999.9900 .9565 -.8692 .6698 .1492 .3661 -.3577 99 LYS 99 -.6960 .0952 999.9900 -.0770 .7460 -.0017 .6730 .1496 .3677 .1163 100 GLU 100 -1.2742 -1.0407 999.9900 -1.0323 .6899 -.6643 .6767 .5191 .5848 -.2436 101 GLY 101 1.1139 999.9900 999.9900 999.9900 .7883 .9511 .5747 .4715 .5174 .7371 102 LYS 102 -.3543 -2.4344 999.9900 -.4035 .7460 -.5699 .6756 .1595 .3745 -.2878 103 ILE 103 -1.3252 -.4388 999.9900 999.9900 .6034 -.3869 .6562 .0340 .2932 -.0941 104 LEU 104 -2.5767 -.9670 999.9900 999.9900 .9565 -.8624 .6756 .1657 .3781 -.3492 105 ASP 105 -.6293 -2.3194 999.9900 999.9900 .8104 -.7128 .6780 .3904 .5102 -.2140 106 LYS 106 -1.5497 -1.9682 999.9900 .1731 .7460 -.4852 .6825 .1592 .3772 -.2263 107 VAL 107 -.0463 999.9900 .5873 999.9900 .7810 .4407 .6535 .1286 .3473 .4208 108 VAL 108 .1037 999.9900 .8662 999.9900 .7810 .5836 .6512 .1207 .3418 .5046 109 GLY 109 -1.3427 999.9900 999.9900 999.9900 .7883 -.2772 .5799 .4774 .5229 .1257 110 ALA 110 -1.7252 999.9900 999.9900 999.9900 .7458 -.4897 .6687 .3194 .4649 .0022 111 LYS 111 -.9887 -1.9682 999.9900 -.4035 .7460 -.6036 .6765 .1590 .3747 -.3118 112 LYS 112 1.2214 -1.9682 999.9900 -.4035 .7460 -.1616 .6809 .1587 .3763 .0045 113 ASP 113 .9343 -.7683 999.9900 999.9900 .8104 .3255 .6741 .3825 .5040 .4066 114 GLU 114 .0765 -1.5476 999.9900 .3501 .6899 -.1078 .6738 .5146 .5810 .1262 115 LEU 115 .2355 -2.4128 999.9900 999.9900 .9565 -.4069 .6806 .1617 .3779 -.0757 116 GLN 116 .1632 -1.7668 999.9900 1.3059 .5113 .0534 .6720 .5158 .5809 .2336 117 SER 117 .8760 999.9900 -.7153 999.9900 .6705 .2770 .6771 .5374 .5956 .4091 118 THR 118 .7717 999.9900 .6346 999.9900 .4476 .6180 .6527 -.2546 .1235 .4504 119 ILE 119 .6852 .4202 999.9900 999.9900 .6034 .5696 .6609 .0377 .2974 .4815 120 ALA 120 .8001 999.9900 999.9900 999.9900 .7458 .7729 .6694 .3171 .4639 .6331 121 LYS 121 1.0429 -2.9005 999.9900 -.4035 .7460 -.3837 .6738 .1667 .3780 -.1540 122 HIS 122 .1567 .6357 999.9900 999.9900 .6686 .4870 .6832 .3320 .4783 .4952 123 LEU 123 -.6514 -3.3760 999.9900 999.9900 .9565 -1.0236 .6724 .1669 .3775 -.4463 124 ALA 124 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .6561 .2682 .4344 .4621 Means: -.3674 -1.5216 -.1680 .1249 .7026 -.1918 .6578 .2394 .4143 .0564 2.00 analyzed_17