1 MET 1 999.9900 -2.5481 999.9900 .9587 .5203 -.3564 .6761 .5204 .5912 .0255 2 GLY 2 -.5702 999.9900 999.9900 999.9900 .7883 .1090 .5824 .4688 .5193 .3173 3 HIS 3 -.2681 -.2881 999.9900 999.9900 .6686 .0375 .6751 .3358 .4771 .2247 4 HIS 4 -.2681 -1.3248 999.9900 999.9900 .6686 -.3081 .6755 .3225 .4696 .0148 5 HIS 5 -.6280 -3.1083 999.9900 999.9900 .6686 -1.0226 .6756 .3274 .4724 -.4130 6 HIS 6 -1.6168 -2.0147 999.9900 999.9900 .6686 -.9876 .6711 .3198 .4662 -.3944 7 HIS 7 -1.9498 -1.5062 999.9900 999.9900 .6686 -.9291 .6812 .3260 .4740 -.3561 8 HIS 8 -2.5191 -3.1083 999.9900 999.9900 .6686 -1.6529 .6752 .3182 .4669 -.7931 9 LEU 9 -1.7747 -3.3760 999.9900 999.9900 .9565 -1.3981 .6752 .1622 .3759 -.6714 10 GLU 10 -3.2255 -1.9198 999.9900 -1.0323 .6899 -1.3719 .6732 .5173 .5823 -.7162 11 MET 11 -2.6662 -.5838 999.9900 .9587 .5203 -.4427 .6761 .5188 .5843 -.0960 12 ALA 12 -.7438 999.9900 999.9900 999.9900 .7458 .0010 .6628 .3157 .4603 .2451 13 SER 13 -.3724 999.9900 -.7153 999.9900 .6705 -.1391 .6800 .5348 .5953 .1595 14 GLU 14 -1.3222 .0298 999.9900 -1.0323 .6899 -.4087 .6744 .5231 .5861 -.0729 15 GLU 15 -2.3953 -.3402 999.9900 -1.0323 .6899 -.7695 .6848 .5284 .5935 -.3108 16 GLY 16 .9290 999.9900 999.9900 999.9900 .7883 .8586 .5846 .4787 .5257 .6951 17 GLN 17 -.3854 -2.6982 999.9900 1.3059 .5113 -.3166 .6745 .5241 .5867 -.0113 18 VAL 18 .0815 999.9900 .4980 999.9900 .7810 .4535 .6689 .1248 .3515 .4309 19 ILE 19 -.4647 -1.0114 999.9900 999.9900 .6034 -.2909 .6636 .0519 .3068 -.0314 20 ALA 20 -.7843 999.9900 999.9900 999.9900 .7458 -.0193 .6687 .3186 .4645 .2372 21 CYS 21 -.5218 999.9900 .1296 999.9900 .9108 .1729 .6748 .3111 .4626 .3009 22 HIS 22 -1.1973 .4588 999.9900 999.9900 .6686 -.0233 .6726 .3307 .4732 .1867 23 THR 23 -.5585 999.9900 -.8810 999.9900 .4476 -.3307 .6571 -.2519 .1269 -.1174 24 VAL 24 .7260 999.9900 -1.0788 999.9900 .7810 .1428 .6593 .1313 .3513 .2438 25 GLU 25 .7157 -1.1358 999.9900 -1.0323 .6899 -.1906 .6721 .5219 .5845 .0719 26 THR 26 .9379 999.9900 .4804 999.9900 .4476 .6220 .6603 -.2602 .1233 .4532 27 TRP 27 .9545 .0052 999.9900 999.9900 .9378 .6325 .6833 .1913 .3963 .5544 28 ASN 28 1.0488 -3.3254 999.9900 999.9900 .7518 -.5083 .6728 .3806 .5024 -.0943 29 GLU 29 .7157 -1.4588 999.9900 -1.0323 .6899 -.2714 .6729 .5235 .5857 .0185 30 GLN 30 .7370 -2.6982 999.9900 1.3059 .5113 -.0360 .6801 .5281 .5914 .1774 31 LEU 31 .9913 -1.6805 999.9900 999.9900 .9565 .0891 .6764 .1493 .3689 .2186 32 GLN 32 .7451 -.2542 999.9900 1.3059 .5113 .5770 .6840 .5222 .5896 .5857 33 LYS 33 .8536 -.0828 999.9900 .1140 .7460 .3490 .6743 .1498 .3683 .3670 34 ALA 34 .5364 999.9900 999.9900 999.9900 .7458 .6411 .6627 .3206 .4631 .5664 35 ASN 35 .6990 -3.3254 999.9900 999.9900 .7518 -.6249 .6777 .3815 .5049 -.1631 36 GLU 36 .6116 .8332 999.9900 -1.0323 .6899 .2756 .6739 .5224 .5855 .3831 37 SER 37 .2458 999.9900 -.0289 999.9900 .6705 .2958 .6752 .5282 .5894 .4182 38 LYS 38 -1.0405 -.9951 999.9900 -.4035 .7460 -.4193 .6814 .1522 .3727 -.1804 39 THR 39 -.1996 999.9900 -.8810 999.9900 .4476 -.2110 .6541 -.2508 .1262 -.0459 40 LEU 40 -.1625 -3.3760 999.9900 999.9900 .9565 -.8607 .6759 .1555 .3724 -.3501 41 VAL 41 .0764 999.9900 -1.0788 999.9900 .7810 -.0738 .6613 .1207 .3459 .1121 42 VAL 42 .1158 999.9900 -1.0788 999.9900 .7810 -.0606 .6612 .1220 .3467 .1203 43 VAL 43 -.0288 999.9900 .5873 999.9900 .7810 .4465 .6557 .1181 .3421 .4227 44 ASP 44 -.2609 -1.1954 999.9900 999.9900 .8104 -.2153 .6762 .3676 .4962 .0796 45 PHE 45 -.2560 -.4548 999.9900 999.9900 .7573 .0155 .6785 .0996 .3408 .1649 46 THR 46 -.0676 999.9900 -.8810 999.9900 .4476 -.1670 .6480 -.2700 .1125 -.0246 47 ALA 47 -.7246 999.9900 999.9900 999.9900 .7458 .0106 .6705 .3370 .4759 .2572 48 SER 48 .6980 999.9900 .6576 999.9900 .6705 .6754 .6800 .5374 .5968 .6487 49 TRP 49 -1.3140 -3.3859 999.9900 999.9900 .9378 -1.2540 .6822 .1890 .3945 -.5782 50 CYS 50 -1.0658 -2.0054 999.9900 .2382 .9108 -.4805 .6789 .3207 .4699 -.1538 51 GLY 51 -1.6434 999.9900 999.9900 999.9900 .7883 -.4276 .3464 .4709 .4156 -.0094 52 PRO 52 -1.1138 999.9900 999.9900 999.9900 .4496 -.3321 .5378 -.3736 .0061 -.1250 53 CYS 53 .4024 -1.0630 999.9900 .2382 .9108 .1221 .6753 .3112 .4629 .2458 54 ARG 54 .6041 -.0540 999.9900 .1593 .8581 .3454 .6732 .5148 .5808 .4164 55 PHE 55 .0766 -.8310 999.9900 999.9900 .7573 .0010 .6786 .1012 .3418 .1565 56 ILE 56 -1.3063 -3.0500 999.9900 999.9900 .6034 -1.2510 .6636 .0409 .3003 -.6097 57 ALA 57 .3637 999.9900 999.9900 999.9900 .7458 .5548 .4831 .3270 .3920 .4799 58 PRO 58 -1.1138 999.9900 999.9900 999.9900 .4496 -.3321 .5608 -.3492 .0300 -.1131 59 PHE 59 .4032 -2.6964 999.9900 999.9900 .7573 -.5120 .6781 .1017 .3419 -.1512 60 PHE 60 .6090 -.4306 999.9900 999.9900 .7573 .3119 .6743 .0998 .3392 .3420 61 ALA 61 .3637 999.9900 999.9900 999.9900 .7458 .5548 .6581 .3298 .4666 .5244 62 ASP 62 1.0149 -1.5978 999.9900 999.9900 .8104 .0759 .6811 .3890 .5107 .2595 63 LEU 63 .4996 -2.2115 999.9900 999.9900 .9565 -.2518 .6781 .1689 .3811 .0183 64 ALA 64 .8241 999.9900 999.9900 999.9900 .7458 .7850 .6648 .3167 .4618 .6379 65 LYS 65 .4938 -1.5918 999.9900 -.4035 .7460 -.2318 .6719 .1445 .3643 -.0489 66 LYS 66 .0419 .4277 999.9900 -.4035 .7460 .0817 .6784 .1551 .3732 .1774 67 LEU 67 -1.5047 -2.7185 999.9900 999.9900 .9565 -1.0889 .4810 .1643 .2963 -.5243 68 PRO 68 -.4052 999.9900 999.9900 999.9900 .4496 .0222 .5417 -.3713 .0091 .0537 69 ASN 69 -.8440 -1.1653 999.9900 999.9900 .7518 -.4191 .6742 .3711 .4974 -.0424 70 VAL 70 .3116 999.9900 -.2457 999.9900 .7810 .2823 .6644 .1365 .3565 .3296 71 LEU 71 .1006 -2.4128 999.9900 999.9900 .9565 -.4519 .6730 .1597 .3736 -.1046 72 PHE 72 .1097 -2.5581 999.9900 999.9900 .7573 -.5637 .6755 .1058 .3432 -.1820 73 LEU 73 -.3571 -2.9612 999.9900 999.9900 .9565 -.7873 .6747 .1502 .3688 -.3074 74 LYS 74 -.3286 -1.2879 999.9900 -.0770 .7460 -.2049 .6784 .1556 .3734 -.0272 75 VAL 75 .1158 999.9900 -.5532 999.9900 .7810 .1146 .6563 .1225 .3449 .2245 76 ASP 76 -.3017 -2.3194 999.9900 999.9900 .8104 -.6036 .6752 .3813 .5038 -.1508 77 THR 77 .7717 999.9900 .4804 999.9900 .4476 .5666 .6594 -.2655 .1199 .4187 78 ASP 78 1.1285 -1.5978 999.9900 999.9900 .8104 .1137 .6806 .3832 .5071 .2810 79 GLU 79 -1.2977 -2.3808 999.9900 .3501 .6899 -.6596 .6764 .5238 .5874 -.2397 80 LEU 80 -2.3066 -3.3760 999.9900 999.9900 .9565 -1.5754 .6751 .1602 .3747 -.7782 81 LYS 81 .9480 -1.9682 999.9900 -.0770 .7460 -.0856 .6666 .1508 .3657 .0556 82 SER 82 1.1864 999.9900 -.7153 999.9900 .6705 .3805 .6783 .5327 .5933 .4705 83 VAL 83 .2188 999.9900 -.5532 999.9900 .7810 .1489 .6550 .1282 .3477 .2460 84 ALA 84 .8241 999.9900 999.9900 999.9900 .7458 .7850 .6618 .3241 .4648 .6390 85 SER 85 1.0911 999.9900 -.7153 999.9900 .6705 .3488 .6753 .5339 .5928 .4511 86 ASP 86 .9343 -.9768 999.9900 999.9900 .8104 .2560 .6783 .3769 .5025 .3646 87 TRP 87 -1.3140 -.0877 999.9900 999.9900 .9378 -.1546 .6742 .1887 .3910 .0798 88 ALA 88 -1.6732 999.9900 999.9900 999.9900 .7458 -.4637 .6717 .3193 .4661 .0159 89 ILE 89 -1.7126 -.6139 999.9900 999.9900 .6034 -.5744 .6661 .0468 .3048 -.2021 90 GLN 90 -1.1984 -2.6982 999.9900 1.3059 .5113 -.5199 .6721 .5268 .5873 -.1468 91 ALA 91 -1.1448 999.9900 999.9900 999.9900 .7458 -.1995 .6636 .3249 .4660 .1474 92 MET 92 -.8637 -1.3058 999.9900 .9587 -1.9874 -.7996 .4756 .5137 .4978 -.3682 93 PRO 93 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5444 -.3539 .0204 .2650 94 THR 94 .4909 999.9900 -.8810 999.9900 .4476 .0192 .6561 -.2362 .1356 .0955 95 PHE 95 -.2255 .5510 999.9900 999.9900 .7573 .3609 .6720 .1167 .3480 .3743 96 MET 96 -.2922 -1.5870 999.9900 .9587 .5203 -.1001 .6831 .5183 .5870 .1335 97 PHE 97 -.4973 -3.6820 999.9900 999.9900 .7573 -1.1407 .6697 .0942 .3340 -.5316 98 LEU 98 -.8032 -3.3760 999.9900 999.9900 .9565 -1.0742 .6791 .1538 .3727 -.4779 99 LYS 99 -.6960 .2847 999.9900 -.4035 .7460 -.0944 .6819 .1524 .3730 .0517 100 GLU 100 -1.4945 -1.9198 999.9900 -1.0323 .6899 -.9392 .6845 .5239 .5908 -.4247 101 GLY 101 1.1139 999.9900 999.9900 999.9900 .7883 .9511 .5726 .4546 .5071 .7323 102 LYS 102 -.3543 -1.5918 999.9900 .7677 .7460 .0670 .6757 .1451 .3662 .1651 103 ILE 103 -1.3252 .8809 999.9900 999.9900 .6034 .0530 .6595 .0443 .3006 .1726 104 LEU 104 -2.5767 -.9670 999.9900 999.9900 .9565 -.8624 .6816 .1596 .3771 -.3492 105 ASP 105 -.8891 -1.4116 999.9900 999.9900 .8104 -.4967 .6743 .3865 .5064 -.0859 106 LYS 106 -1.5497 -.0337 999.9900 -.4035 .7460 -.3289 .6764 .1655 .3783 -.1147 107 VAL 107 -.3161 999.9900 .7395 999.9900 .7810 .4015 .6578 .1288 .3492 .3982 108 VAL 108 .3372 999.9900 -1.0788 999.9900 .7810 .0132 .6515 .1226 .3429 .1627 109 GLY 109 -.1914 999.9900 999.9900 999.9900 .7883 .2985 .5849 .4820 .5277 .4159 110 ALA 110 -1.5027 999.9900 999.9900 999.9900 .7458 -.3784 .6664 .3107 .4589 .0551 111 LYS 111 -.9887 -.9951 999.9900 .1731 .7460 -.1783 .6824 .1604 .3779 -.0070 112 LYS 112 .6780 -2.9005 999.9900 -.4035 .7460 -.4567 .6680 .1567 .3698 -.2084 113 ASP 113 .6354 -1.4116 999.9900 999.9900 .8104 .0114 .6759 .3855 .5065 .2191 114 GLU 114 .8733 -2.8418 999.9900 -1.0323 .6899 -.5777 .6790 .5205 .5865 -.1853 115 LEU 115 .2355 -3.3760 999.9900 999.9900 .9565 -.7280 .6720 .1487 .3667 -.2727 116 GLN 116 .1632 -1.2219 999.9900 1.3059 .5113 .1896 .6795 .5218 .5875 .3266 117 SER 117 .8651 999.9900 -.7153 999.9900 .6705 .2734 .6754 .5217 .5857 .4035 118 THR 118 .7717 999.9900 .4804 999.9900 .4476 .5666 .6520 -.2460 .1281 .4211 119 ILE 119 .6852 .4202 999.9900 999.9900 .6034 .5696 .6663 .0605 .3129 .4871 120 ALA 120 .5364 999.9900 999.9900 999.9900 .7458 .6411 .6614 .3217 .4633 .5663 121 LYS 121 1.0429 -2.9005 999.9900 -.4035 .7460 -.3837 .6804 .1559 .3745 -.1546 122 HIS 122 .1567 .6357 999.9900 999.9900 .6686 .4870 .6797 .3180 .4687 .4918 123 LEU 123 -1.4828 -3.3760 999.9900 999.9900 .9565 -1.3008 .6842 .1493 .3722 -.6138 124 ALA 124 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .6588 .2482 .4242 .4535 Means: -.2468 -1.5669 -.3345 -.0130 .7026 -.1896 .6586 .2406 .4153 .0581 2.00 analyzed_3