1 MET 1 999.9900 -2.5481 999.9900 .9587 .5203 -.3564 .6709 .4984 .5768 .0200 2 GLY 2 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5749 .4712 .5173 -.4130 3 HIS 3 -1.4902 -3.1083 999.9900 999.9900 .6686 -1.3100 .6768 .3251 .4717 -.5856 4 HIS 4 -1.0475 -1.0384 999.9900 999.9900 .6686 -.4724 .6739 .3211 .4681 -.0845 5 HIS 5 -1.1190 -3.1083 999.9900 999.9900 .6686 -1.1862 .6838 .3251 .4746 -.5099 6 HIS 6 -3.0884 -3.1083 999.9900 999.9900 .6686 -1.8427 .6724 .3195 .4665 -.9072 7 HIS 7 -3.0884 -1.0384 999.9900 999.9900 .6686 -1.1527 .6735 .3289 .4725 -.4911 8 HIS 8 -3.0884 -3.1083 999.9900 999.9900 .6686 -1.8427 .6783 .3272 .4735 -.9045 9 LEU 9 -.1897 -2.5464 999.9900 999.9900 .9565 -.5932 .6811 .1378 .3642 -.1921 10 GLU 10 -2.3953 -.1765 999.9900 -1.0323 .6899 -.7285 .6810 .5194 .5867 -.2856 11 MET 11 -2.6662 -2.5481 999.9900 .9587 .5203 -.9338 .6818 .5212 .5881 -.4221 12 ALA 12 -1.9992 999.9900 999.9900 999.9900 .7458 -.6267 .6685 .3086 .4586 -.0691 13 SER 13 -3.7598 999.9900 -.7153 999.9900 .6705 -1.2682 .6779 .5279 .5904 -.5198 14 GLU 14 -1.7894 -.2810 999.9900 1.1588 .6899 -.0554 .6796 .5207 .5869 .1631 15 GLU 15 -3.2255 -2.1111 999.9900 .3501 .6899 -1.0742 .6833 .5221 .5893 -.5152 16 GLY 16 .7683 999.9900 999.9900 999.9900 .7883 .7783 .5919 .4773 .5283 .6565 17 GLN 17 -.4306 -2.2325 999.9900 1.3059 .5113 -.2115 .6728 .5137 .5800 .0568 18 VAL 18 -.6656 999.9900 -1.0788 999.9900 .7810 -.3211 .6591 .1240 .3469 -.0360 19 ILE 19 -.3198 -1.7901 999.9900 999.9900 .6034 -.5022 .6599 .0227 .2882 -.1648 20 ALA 20 -.7587 999.9900 999.9900 999.9900 .7458 -.0064 .6691 .3254 .4686 .2454 21 CYS 21 -.5218 999.9900 .1296 999.9900 .9108 .1729 .6785 .3167 .4675 .3028 22 HIS 22 -1.1973 1.1349 999.9900 999.9900 .6686 .2021 .6769 .3232 .4706 .3213 23 THR 23 -.5585 999.9900 -.8810 999.9900 .4476 -.3307 .6579 -.2678 .1179 -.1204 24 VAL 24 .7260 999.9900 -1.0788 999.9900 .7810 .1428 .6625 .1170 .3443 .2416 25 GLU 25 .7157 -2.3808 999.9900 -1.0323 .6899 -.5019 .6785 .5284 .5909 -.1334 26 THR 26 .9379 999.9900 1.6096 999.9900 .4476 .9984 .6492 -.2616 .1179 .6765 27 TRP 27 .9545 .0052 999.9900 999.9900 .9378 .6325 .6807 .1887 .3937 .5534 28 ASN 28 .9310 -2.0766 999.9900 999.9900 .7518 -.1312 .6785 .3827 .5059 .1335 29 GLU 29 .7157 .5461 999.9900 -1.0323 .6899 .2298 .6791 .5284 .5912 .3545 30 GLN 30 .7370 -2.6982 999.9900 1.3059 .5113 -.0360 .6793 .5228 .5880 .1764 31 LEU 31 .9913 -1.6805 999.9900 999.9900 .9565 .0891 .6761 .1484 .3683 .2184 32 GLN 32 .7451 -.7562 999.9900 1.3059 .5113 .4515 .6783 .5142 .5826 .4998 33 LYS 33 .8536 .4603 999.9900 -.0397 .7460 .3961 .6816 .1572 .3757 .4028 34 ALA 34 .5364 999.9900 999.9900 999.9900 .7458 .6411 .6641 .3260 .4669 .5681 35 ASN 35 .6990 -1.5725 999.9900 999.9900 .7518 -.0406 .6795 .3753 .5020 .1866 36 GLU 36 1.0761 -2.1111 999.9900 .3501 .6899 .0012 .6747 .5156 .5819 .1992 37 SER 37 .4533 999.9900 -.7153 999.9900 .6705 .1362 .6793 .5375 .5966 .3250 38 LYS 38 -1.2247 -1.1755 999.9900 -.0770 .7460 -.3616 .6728 .1542 .3703 -.1402 39 THR 39 -.1996 999.9900 -.8810 999.9900 .4476 -.2110 .6555 -.2591 .1220 -.0473 40 LEU 40 -.3299 -3.3760 999.9900 999.9900 .9565 -.9165 .6791 .1631 .3781 -.3814 41 VAL 41 .0764 999.9900 -1.0788 999.9900 .7810 -.0738 .6553 .1266 .3469 .1121 42 VAL 42 -.1406 999.9900 .3968 999.9900 .7810 .3458 .6578 .1071 .3366 .3604 43 VAL 43 -.0288 999.9900 .7395 999.9900 .7810 .4973 .6629 .1206 .3466 .4551 44 ASP 44 -.2609 -.4801 999.9900 999.9900 .8104 .0231 .6810 .3852 .5084 .2271 45 PHE 45 -.0721 -.6459 999.9900 999.9900 .7573 .0131 .6766 .0943 .3369 .1620 46 THR 46 -.0676 999.9900 -.8810 999.9900 .4476 -.1670 .6575 -.2529 .1265 -.0193 47 ALA 47 -.5338 999.9900 999.9900 999.9900 .7458 .1060 .6625 .3177 .4614 .2981 48 SER 48 .6980 999.9900 -.7153 999.9900 .6705 .2177 .6755 .5294 .5903 .3716 49 TRP 49 -1.3140 -1.0414 999.9900 999.9900 .9378 -.4725 .6804 .1936 .3965 -.1087 50 CYS 50 -1.0658 -2.0054 999.9900 .2382 .9108 -.4805 .6837 .3141 .4681 -.1541 51 GLY 51 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .3415 .4665 .4110 -.4725 52 PRO 52 -.1156 999.9900 999.9900 999.9900 .4496 .1670 .5417 -.3607 .0153 .1287 53 CYS 53 .4024 -2.0054 999.9900 .2382 .9108 -.1135 .6797 .3239 .4721 .0916 54 ARG 54 .6041 .3358 999.9900 .1593 .8581 .4233 .6778 .5253 .5889 .4743 55 PHE 55 -.3097 -2.6964 999.9900 999.9900 .7573 -.7496 .6837 .1000 .3432 -.2930 56 ILE 56 -1.5193 -2.6526 999.9900 999.9900 .6034 -1.1895 .6602 .0515 .3051 -.5713 57 ALA 57 .6648 999.9900 999.9900 999.9900 .7458 .7053 .4762 .3340 .3932 .5552 58 PRO 58 -1.1138 999.9900 999.9900 999.9900 .4496 -.3321 .5352 -.3771 .0030 -.1265 59 PHE 59 1.1962 -2.6964 999.9900 999.9900 .7573 -.2476 .6702 .1036 .3397 .0062 60 PHE 60 .6090 .4845 999.9900 999.9900 .7573 .6169 .6735 .0943 .3357 .5237 61 ALA 61 .5364 999.9900 999.9900 999.9900 .7458 .6411 .6657 .3125 .4596 .5651 62 ASP 62 .9921 -1.5978 999.9900 999.9900 .8104 .0682 .6735 .3809 .5028 .2518 63 LEU 63 .8786 -2.4128 999.9900 999.9900 .9565 -.1926 .6768 .1514 .3703 .0501 64 ALA 64 .6496 999.9900 999.9900 999.9900 .7458 .6977 .6676 .3158 .4624 .5947 65 LYS 65 .3654 -1.5918 999.9900 -.0770 .7460 -.1269 .6732 .1559 .3714 .0278 66 LYS 66 .8536 -2.1617 999.9900 -.0770 .7460 -.1432 .6754 .1618 .3758 .0173 67 LEU 67 -2.3066 -3.3760 999.9900 999.9900 .9565 -1.5754 .4809 .1605 .2940 -.8169 68 PRO 68 -.4052 999.9900 999.9900 999.9900 .4496 .0222 .5501 -.3417 .0299 .0632 69 ASN 69 -1.0675 -1.8756 999.9900 999.9900 .7518 -.7304 .6728 .3842 .5044 -.2268 70 VAL 70 -.3682 999.9900 .7395 999.9900 .7810 .3841 .6575 .1219 .3451 .3864 71 LEU 71 .0986 -3.3760 999.9900 999.9900 .9565 -.7736 .6739 .1570 .3724 -.2980 72 PHE 72 .1097 -2.5581 999.9900 999.9900 .7573 -.5637 .6785 .0950 .3381 -.1835 73 LEU 73 -.5127 -2.9612 999.9900 999.9900 .9565 -.8391 .6771 .1507 .3700 -.3379 74 LYS 74 -.3286 -1.5020 999.9900 -.4035 .7460 -.3783 .6786 .1738 .3841 -.1485 75 VAL 75 .5332 999.9900 .1416 999.9900 .7810 .4853 .6501 .1261 .3444 .4464 76 ASP 76 -.0565 -2.1980 999.9900 999.9900 .8104 -.4814 .6726 .3851 .5049 -.0773 77 THR 77 .1314 999.9900 .7650 999.9900 .4476 .4480 .6553 -.2464 .1293 .3506 78 ASP 78 .2994 -2.6388 999.9900 999.9900 .8104 -.5097 .6837 .3983 .5172 -.0894 79 GLU 79 -3.2255 -1.2470 999.9900 -1.0323 .6899 -1.2037 .6708 .5222 .5841 -.6036 80 LEU 80 -3.7702 -3.3760 999.9900 999.9900 .9565 -2.0632 .6783 .1642 .3784 -1.0694 81 LYS 81 .6780 -1.1257 999.9900 -.4035 .7460 -.1017 .6754 .1545 .3715 .0459 82 SER 82 1.1864 999.9900 -.7153 999.9900 .6705 .3805 .6752 .5355 .5937 .4704 83 VAL 83 .9834 999.9900 .5873 999.9900 .7810 .7839 .6629 .1226 .3477 .6274 84 ALA 84 .8241 999.9900 999.9900 999.9900 .7458 .7850 .6631 .3136 .4592 .6367 85 SER 85 .8651 999.9900 -.7153 999.9900 .6705 .2734 .6775 .5274 .5899 .4050 86 ASP 86 1.1285 -.5326 999.9900 999.9900 .8104 .4688 .6832 .3907 .5126 .4960 87 TRP 87 -1.3140 -.7344 999.9900 999.9900 .9378 -.3702 .6742 .1899 .3917 -.0493 88 ALA 88 -1.6732 999.9900 999.9900 999.9900 .7458 -.4637 .6588 .3230 .4629 .0136 89 ILE 89 -3.1479 -.0414 999.9900 999.9900 .6034 -.8620 .6602 .0312 .2933 -.3789 90 GLN 90 -.5313 -2.6982 999.9900 1.3059 .5113 -.3531 .6786 .5184 .5852 -.0359 91 ALA 91 -1.3571 999.9900 999.9900 999.9900 .7458 -.3056 .6671 .3151 .4618 .0927 92 MET 92 -.6588 -.2378 999.9900 .9587 -1.9874 -.4813 .4796 .5217 .5042 -.1540 93 PRO 93 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5369 -.3740 .0055 .2581 94 THR 94 .4874 999.9900 -.8810 999.9900 .4476 .0180 .6565 -.2567 .1238 .0908 95 PHE 95 -.2255 .1608 999.9900 999.9900 .7573 .2309 .6714 .1046 .3407 .2937 96 MET 96 -.2520 .4901 999.9900 .9587 .5203 .4293 .6700 .5048 .5737 .4820 97 PHE 97 -.2986 -4.3038 999.9900 999.9900 .7573 -1.2817 .6802 .1041 .3441 -.6122 98 LEU 98 -1.2966 -2.9612 999.9900 999.9900 .9565 -1.1004 .6812 .1463 .3692 -.4948 99 LYS 99 -.6960 .4083 999.9900 -.0770 .7460 .0609 .6718 .1450 .3645 .1602 100 GLU 100 -1.4945 -1.4588 999.9900 -1.0323 .6899 -.8239 .6787 .5262 .5898 -.3485 101 GLY 101 1.1139 999.9900 999.9900 999.9900 .7883 .9511 .5810 .4686 .5185 .7379 102 LYS 102 -.3350 -1.6955 999.9900 -.4035 .7460 -.4183 .6765 .1562 .3730 -.1798 103 ILE 103 -1.3252 .9074 999.9900 999.9900 .6034 .0619 .6583 .0408 .2981 .1770 104 LEU 104 -2.1729 -.9670 999.9900 999.9900 .9565 -.7278 .6726 .1605 .3738 -.2701 105 ASP 105 -.6293 -3.1847 999.9900 999.9900 .8104 -1.0012 .6808 .3879 .5100 -.3870 106 LYS 106 -.6145 -1.8181 999.9900 -.4035 .7460 -.4987 .6760 .1463 .3670 -.2388 107 VAL 107 -.0463 999.9900 .5873 999.9900 .7810 .4407 .6611 .1290 .3507 .4224 108 VAL 108 .1037 999.9900 -1.0788 999.9900 .7810 -.0647 .6564 .1199 .3435 .1165 109 GLY 109 -1.0990 999.9900 999.9900 999.9900 .7883 -.1554 .5834 .4690 .5198 .1854 110 ALA 110 -1.4499 999.9900 999.9900 999.9900 .7458 -.3521 .6640 .3202 .4634 .0700 111 LYS 111 -.9887 -1.2293 999.9900 -.4035 .7460 -.4558 .6809 .1523 .3725 -.2066 112 LYS 112 .9451 -.9951 999.9900 -.4035 .7460 -.0222 .6787 .1511 .3709 .1027 113 ASP 113 1.0815 -1.3712 999.9900 999.9900 .8104 .1736 .6789 .3733 .5007 .3146 114 GLU 114 .8733 -.8493 999.9900 -1.0323 .6899 -.0796 .6748 .5251 .5875 .1469 115 LEU 115 .2355 -2.2115 999.9900 999.9900 .9565 -.3398 .6790 .1703 .3823 -.0340 116 GLN 116 .1632 -1.2219 999.9900 1.3059 .5113 .1896 .6799 .5228 .5882 .3268 117 SER 117 .9076 999.9900 -.0289 999.9900 .6705 .5164 .6763 .5267 .5890 .5505 118 THR 118 .8748 999.9900 -.8810 999.9900 .4476 .1471 .6632 -.2638 .1224 .1681 119 ILE 119 1.0115 -.2247 999.9900 999.9900 .6034 .4634 .6529 .0321 .2908 .4150 120 ALA 120 .8001 999.9900 999.9900 999.9900 .7458 .7729 .6737 .3190 .4668 .6346 121 LYS 121 1.0429 -2.4344 999.9900 -.4035 .7460 -.2905 .6751 .1624 .3760 -.0879 122 HIS 122 .1567 -1.1713 999.9900 999.9900 .6686 -.1153 .6788 .3257 .4729 .1317 123 LEU 123 -1.4828 -2.9612 999.9900 999.9900 .9565 -1.1625 .6736 .1666 .3778 -.5295 124 ALA 124 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .6641 .2553 .4305 .4597 Means: -.3801 -1.6047 -.2762 .0104 .7026 -.2322 .6587 .2392 .4145 .0317 2.00 analyzed_12