1 GLY 1 999.9900 999.9900 999.9900 999.9900 .7883 .7883 .7069 .7056 .7063 .7336 2 HIS 2 -1.0475 -3.1083 999.9900 999.9900 .6686 -1.1624 .7057 .7030 .7041 -.4157 3 HIS 3 -.2167 -3.1083 999.9900 999.9900 .6686 -.8855 .7055 .7033 .7042 -.2495 4 HIS 4 -1.7665 -2.4183 999.9900 999.9900 .6686 -1.1721 .7063 .7032 .7045 -.4214 5 HIS 5 -2.5191 -.0314 999.9900 999.9900 .6686 -.6273 .7061 .7031 .7044 -.0945 6 HIS 6 -.3517 -1.0384 999.9900 999.9900 .6686 -.2405 .7054 .7033 .7042 .1375 7 HIS 7 -.2950 .2436 999.9900 999.9900 .6686 .2057 .7061 .7033 .7044 .4053 8 LEU 8 -3.0384 .5521 999.9900 999.9900 .9565 -.5099 .7064 .7029 .7044 -.0241 9 GLU 9 -2.3953 -1.6501 999.9900 .3501 .6899 -.7513 .7063 .7036 .7047 -.2659 10 CYS 10 -.2798 999.9900 .8629 999.9900 1.0610 .5480 .7063 .7033 .7046 .6108 11 SER 11 -1.4791 999.9900 -.7153 999.9900 .8922 -.4341 .7066 .7033 .7046 .0215 12 SER 12 .5661 999.9900 -.7153 999.9900 .6705 .1737 .7066 .7027 .7043 .3861 13 ASP 13 -3.3417 -.2893 999.9900 999.9900 .7118 -.9731 .7060 .7035 .7045 -.3019 14 SER 14 -2.3021 999.9900 -.7153 999.9900 .6705 -.7823 .7064 .7015 .7035 -.1878 15 LEU 15 -3.7702 -2.2115 999.9900 999.9900 .8331 -1.7162 .7059 .7028 .7041 -.7480 16 GLN 16 -3.1236 -.1114 999.9900 1.3059 .5113 -.3545 .7066 .7033 .7047 -.0013 17 LEU 17 -.4371 -1.9410 999.9900 999.9900 .8331 -.5150 .7061 .7030 .7043 -.0272 18 HIS 18 -.6701 -1.3248 999.9900 999.9900 .6686 -.4421 .7063 .7029 .7043 .0166 19 ASN 19 -.7163 -1.5725 999.9900 999.9900 .8079 -.4936 .7064 .7030 .7045 -.0143 20 VAL 20 .0429 999.9900 -.2457 999.9900 .7810 .1928 .7066 .7051 .7057 .3980 21 PHE 21 -.2560 .3192 999.9900 999.9900 .7573 .2735 .7061 .7016 .7035 .4456 22 VAL 22 -1.4030 999.9900 -1.0788 999.9900 .8778 -.5347 .7065 .7066 .7065 -.0382 23 TYR 23 -1.2852 -1.4327 999.9900 999.9900 .5630 -.7183 .7062 .7037 .7047 -.1490 24 GLY 24 -3.4864 999.9900 999.9900 999.9900 .8277 -1.3294 .7062 .7046 .7053 -.3120 25 SER 25 .5661 999.9900 -.7153 999.9900 .6705 .1737 .7068 .7025 .7043 .3861 26 PHE 26 -3.6149 .9147 999.9900 999.9900 .7573 -.6476 .7067 .7036 .7049 -.1065 27 GLN 27 -1.8275 -1.3011 999.9900 1.3059 .5113 -.3279 .7068 .7033 .7047 .0164 28 ASP 28 -.5899 -1.3712 999.9900 999.9900 .8104 -.3836 .7062 .6560 .6769 .0423 29 PRO 29 -.1156 999.9900 999.9900 999.9900 .9143 .3993 .7066 .6117 .6513 .5293 30 ASP 30 1.0149 -.5463 999.9900 999.9900 .8104 .4263 .7063 .7030 .7043 .5376 31 VAL 31 .3707 999.9900 -1.0788 999.9900 .7810 .0243 .7068 .7060 .7064 .2972 32 ILE 32 .5785 -.9795 999.9900 999.9900 .6034 .0675 .7062 .7059 .7060 .3229 33 ASN 33 1.1117 -.6268 999.9900 999.9900 .7518 .4123 .7066 .7025 .7042 .5292 34 VAL 34 -.2954 999.9900 .3968 999.9900 .7810 .2941 .7067 .7059 .7062 .4590 35 MET 35 .5476 -2.5481 999.9900 1.7963 .5203 .0790 .7053 .7021 .7034 .2872 36 LEU 36 -3.7702 -2.9612 999.9900 999.9900 .8331 -1.9661 .7056 .7030 .7040 -.8979 37 ASP 37 -3.3417 -2.3194 999.9900 999.9900 .7118 -1.6498 .7066 .7045 .7054 -.7076 38 ARG 38 -2.5097 -1.0788 999.9900 .1593 .6728 -.5194 .7055 .7024 .7037 -.1699 39 THR 39 -.4672 999.9900 .7650 999.9900 .4476 .2485 .7060 .6558 .6767 .4214 40 PRO 40 .4197 999.9900 999.9900 999.9900 .4496 .4347 .7062 .6072 .6485 .5457 41 GLU 41 -.5578 -1.4588 999.9900 -1.0323 .6899 -.5897 .7057 .7025 .7038 -.1585 42 ILE 42 .0813 -1.7901 999.9900 999.9900 1.0081 -.2335 .7066 .7059 .7062 .1424 43 VAL 43 .0764 999.9900 -1.0788 999.9900 .8778 -.0415 .7070 .7058 .7063 .2577 44 SER 44 -.7578 999.9900 .6576 999.9900 .7781 .2260 .7065 .7026 .7042 .4174 45 ALA 45 -.3857 999.9900 999.9900 999.9900 .7458 .1801 .7061 .7045 .7052 .4427 46 THR 46 .4548 999.9900 .8779 999.9900 .4476 .5934 .7051 .7059 .7056 .6383 47 LEU 47 -2.5767 -.0669 999.9900 999.9900 .8331 -.6035 .7066 .6591 .6789 -.0890 48 PRO 48 .4197 999.9900 999.9900 999.9900 .4496 .4347 .7067 .6216 .6571 .5494 49 GLY 49 1.0529 999.9900 999.9900 999.9900 .8277 .9403 .7060 .7049 .7054 .8229 50 PHE 50 -.0803 .0967 999.9900 999.9900 .7573 .2579 .7062 .7034 .7046 .4367 51 GLN 51 -.5591 -1.7668 999.9900 1.3059 .5113 -.1272 .7063 .7035 .7047 .1502 52 ARG 52 -.2265 -.5982 999.9900 .5548 .8581 .2286 .7061 .7037 .7047 .3647 53 PHE 53 .2013 -1.8165 999.9900 999.9900 .8629 -.2508 .7061 .7024 .7040 .1312 54 ARG 54 -.7228 -2.8571 999.9900 .1593 .8581 -.4806 .7065 .7023 .7040 -.1421 55 LEU 55 -3.7702 -3.3760 999.9900 999.9900 .8331 -2.1043 .7068 .7029 .7045 -.9807 56 LYS 56 -2.4227 -1.3520 999.9900 -.0770 .7460 -.6365 .7065 .7027 .7043 -.2534 57 GLY 57 -1.6434 999.9900 999.9900 999.9900 .8277 -.4079 .7070 .7051 .7059 .1491 58 ARG 58 -2.9267 -2.3766 999.9900 .1593 .8581 -.8253 .7066 .7031 .7045 -.3881 59 LEU 59 -1.5047 .5315 999.9900 999.9900 .9565 -.0055 .7060 .7032 .7044 .2785 60 TYR 60 -.6610 -4.1972 999.9900 999.9900 .5630 -1.4317 .7066 .6516 .6745 -.5874 61 PRO 61 -2.3165 999.9900 999.9900 999.9900 .4496 -.9334 .7060 .6036 .6463 -.1393 62 CYS 62 -1.9168 999.9900 .1296 999.9900 .9108 -.2921 .7067 .7030 .7046 .1067 63 ILE 63 -.4396 -.2003 999.9900 999.9900 .6034 -.0122 .7068 .7056 .7061 .2752 64 VAL 64 -.8680 999.9900 -.5532 999.9900 .8960 -.1751 .7067 .6570 .6777 .1677 65 PRO 65 .0120 999.9900 999.9900 999.9900 .6931 .3525 .7069 .6135 .6524 .5064 66 SER 66 .0184 999.9900 .3727 999.9900 .6705 .3539 .7065 .7034 .7047 .4943 67 GLU 67 1.0761 -1.6501 999.9900 -1.0323 .6899 -.2291 .7060 .7029 .7041 .0821 68 LYS 68 -3.5196 .2033 999.9900 -.0770 .7460 -.5448 .7058 .7028 .7041 -.1879 69 GLY 69 -1.0150 999.9900 999.9900 999.9900 .8277 -.0936 .7055 .7051 .7053 .3058 70 GLU 70 -.4325 -1.1358 999.9900 1.1588 .6899 .0701 .7064 .7025 .7041 .2815 71 VAL 71 .3372 999.9900 .9224 999.9900 .7810 .6802 .7065 .7054 .7058 .6905 72 HIS 72 -.2681 -1.1713 999.9900 999.9900 .6686 -.2569 .7031 .7038 .7035 .1272 73 GLY 73 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .7068 .7054 .7060 -.0645 74 LYS 74 -.3223 .1621 999.9900 -.4035 .8827 -.0169 .7067 .7027 .7043 .1893 75 VAL 75 .3372 999.9900 -1.0788 999.9900 .7810 .0132 .7065 .7063 .7064 .2905 76 LEU 76 -.8349 -1.3209 999.9900 999.9900 .8331 -.4409 .7066 .7036 .7048 .0175 77 MET 77 -.9371 -1.0247 999.9900 .9587 .5203 -.1207 .7060 .7037 .7047 .1545 78 GLY 78 1.1139 999.9900 999.9900 999.9900 .7883 .9511 .7068 .7052 .7059 .8285 79 VAL 79 -.7790 999.9900 -1.0788 999.9900 .7810 -.3589 .7059 .7053 .7055 .0669 80 THR 80 -.1761 999.9900 -.8810 999.9900 .7246 -.1109 .7062 .7065 .7064 .2160 81 SER 81 .9506 999.9900 -.7153 999.9900 .6705 .3019 .7065 .7031 .7045 .4631 82 ASP 82 1.0815 -2.4630 999.9900 999.9900 .7118 -.2232 .7064 .7038 .7049 .1481 83 GLU 83 .8604 1.2631 999.9900 1.1588 .6899 .9930 .7063 .7029 .7043 .8969 84 LEU 84 .8182 -.3936 999.9900 999.9900 .9565 .4604 .7052 .7031 .7040 .5579 85 GLU 85 .8733 -1.0407 999.9900 -1.0323 .6899 -.1275 .7066 .7032 .7046 .1500 86 ASN 86 .9310 -3.3254 999.9900 999.9900 .7518 -.5475 .7066 .7034 .7047 -.0465 87 LEU 87 .6296 .6031 999.9900 999.9900 .8331 .6886 .7068 .7036 .7049 .6952 88 ASP 88 .6201 -.7683 999.9900 999.9900 .8104 .2207 .7062 .7035 .7046 .4144 89 ALA 89 -.5981 999.9900 999.9900 999.9900 .7458 .0739 .7068 .7051 .7058 .3899 90 VAL 90 .2188 999.9900 .1416 999.9900 .7810 .3805 .7050 .7057 .7054 .5104 91 GLU 91 -.1289 -1.4588 999.9900 -1.0323 .6899 -.4825 .7062 .7024 .7040 -.0869 92 GLY 92 -.3460 999.9900 999.9900 999.9900 .8277 .2408 .7066 .7045 .7054 .4732 93 ASN 93 .1528 -.6730 999.9900 999.9900 .7518 .0772 .7054 .7020 .7034 .3278 94 GLU 94 -2.8104 .5254 999.9900 -1.0323 .3568 -.7401 .7052 .7023 .7035 -.2588 95 TYR 95 -.2656 .3565 999.9900 999.9900 .5630 .2180 .7066 .7029 .7044 .4127 96 GLU 96 -.5863 -.9574 999.9900 -1.0323 .6899 -.4715 .7068 .7036 .7049 -.0793 97 ARG 97 -.4945 .5439 999.9900 .1593 .8581 .2452 .7066 .7031 .7046 .3765 98 VAL 98 -.0523 999.9900 -1.0788 999.9900 .7810 -.1167 .7065 .7061 .7063 .2125 99 THR 99 -.2319 999.9900 -.8810 999.9900 .4476 -.2218 .7051 .7056 .7054 .1491 100 VAL 100 -.3548 999.9900 -.2457 999.9900 .7810 .0602 .7062 .7060 .7061 .3185 101 GLY 101 -.9159 999.9900 999.9900 999.9900 .7883 -.0638 .7065 .7050 .7057 .3210 102 ILE 102 -.7823 -2.2551 999.9900 999.9900 1.0081 -.6764 .7069 .7065 .7067 -.1232 103 VAL 103 .1158 999.9900 .8662 999.9900 .7810 .5877 .7062 .7057 .7059 .6350 104 ARG 104 -1.4842 -1.0274 999.9900 1.0856 .8581 .1035 .7067 .7033 .7047 .2754 105 GLU 105 -.7937 .4207 999.9900 .3501 .6899 .1668 .7059 .7042 .7049 .3462 106 ASP 106 -1.0941 -1.7105 999.9900 999.9900 .8104 -.6647 .7057 .7041 .7047 -.1169 107 ASN 107 -.6067 -2.0766 999.9900 999.9900 .6279 -.6851 .7061 .7026 .7040 -.1293 108 SER 108 -3.7598 999.9900 -.7153 999.9900 .6705 -1.2682 .7066 .7026 .7042 -.4791 109 GLU 109 -.3533 -.7009 999.9900 1.1588 .6899 .1986 .7055 .7029 .7040 .3671 110 LYS 110 -.2683 -1.0793 999.9900 -.0770 .8827 -.1238 .7067 .7026 .7043 .1129 111 MET 111 -.4857 -2.5481 999.9900 .9587 .4206 -.4136 .7067 .7031 .7046 -.0408 112 ALA 112 -.9131 999.9900 999.9900 999.9900 .7458 -.0837 .7068 .7052 .7059 .3112 113 VAL 113 -.7132 999.9900 -1.0788 999.9900 .7810 -.3370 .7065 .7056 .7060 .0802 114 LYS 114 -.4232 -.3256 999.9900 -.4035 .7460 -.1620 .7065 .7023 .7041 .0856 115 THR 115 -.5830 999.9900 -.8810 999.9900 .7246 -.2465 .7057 .7065 .7062 .1345 116 TYR 116 -.2255 -.2104 999.9900 999.9900 .8158 .1266 .7066 .7036 .7049 .3580 117 MET 117 -.9371 -.7698 999.9900 .9587 .5203 -.0570 .7057 .7038 .7046 .1969 118 TRP 118 -.4879 -3.3859 999.9900 999.9900 .9378 -.9787 .7061 .7044 .7051 -.3051 119 ILE 119 .7069 -1.7901 999.9900 999.9900 .6034 -.1599 .7065 .7064 .7065 .1866 120 ASN 120 -1.1054 -1.0869 999.9900 999.9900 .7518 -.4802 .7068 .7029 .7046 -.0061 121 LYS 121 -2.1024 .1550 999.9900 -.4035 .8827 -.3744 .7067 .7020 .7040 -.0662 122 ALA 122 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .7070 .7058 .7063 -.3265 123 ASP 123 -.7799 -.7502 999.9900 999.9900 .8104 -.2399 .7066 .6534 .6755 .1280 124 PRO 124 -.1497 999.9900 999.9900 999.9900 .9143 .3823 .7067 .6139 .6526 .5213 125 ASP 125 -2.2314 -.0357 999.9900 999.9900 .8104 -.4856 .7068 .7035 .7049 -.0093 126 MET 126 -.4490 -.2892 999.9900 .9587 .8447 .2663 .7067 .7027 .7044 .4124 127 PHE 127 -3.6149 -1.0172 999.9900 999.9900 .7573 -1.2916 .7057 .7033 .7043 -.4932 128 GLY 128 -.2647 999.9900 999.9900 999.9900 .8277 .2815 .7062 .7045 .7053 .4934 129 GLU 129 -.4615 -1.7714 999.9900 -1.0323 .6899 -.6438 .7062 .7037 .7047 -.1942 130 TRP 130 -.7928 -3.3859 999.9900 999.9900 .9378 -1.0803 .7065 .7035 .7048 -.3662 131 ASN 131 .1373 -2.0766 999.9900 999.9900 .7518 -.3958 .7065 .7019 .7038 .0442 132 PHE 132 .8041 -4.3038 999.9900 999.9900 .7573 -.9141 .7064 .7031 .7045 -.2666 133 GLU 133 .6833 -1.2470 999.9900 1.1588 .6899 .3212 .7062 .7030 .7043 .4490 134 GLU 134 .8604 -1.7714 999.9900 -1.0323 .6899 -.3134 .7066 .7030 .7045 .0260 135 TRP 135 .7294 .3450 999.9900 999.9900 .9378 .6707 .7069 .7033 .7048 .6845 136 LYS 136 .9451 -.3404 999.9900 -.4035 .7460 .1087 .7065 .7030 .7045 .2790 137 ARG 137 .6655 -1.1946 999.9900 .5548 .8581 .2877 .7055 .7027 .7038 .4067 138 LEU 138 .6509 -.4018 999.9900 999.9900 .8331 .3607 .7059 .7030 .7042 .4982 139 HIS 139 -.9209 -.7214 999.9900 999.9900 .6686 -.3246 .7059 .7037 .7046 .0872 140 LYS 140 .6780 -.1697 999.9900 -.4035 .8827 .1168 .7066 .7028 .7044 .2848 141 LYS 141 -.1232 -2.4344 999.9900 -.0770 .8827 -.3658 .7067 .7027 .7044 -.0599 142 LYS 142 .9451 .0465 999.9900 -.0770 .7460 .3167 .7069 .7035 .7049 .4277 143 PHE 143 -.0639 -.6612 999.9900 999.9900 .7573 .0107 .7067 .7028 .7044 .2883 144 ILE 144 .0556 -.0177 999.9900 999.9900 .6034 .2137 .7062 .7067 .7065 .4108 145 GLU 145 -.1187 -1.2470 999.9900 -1.0323 .3568 -.5103 .7065 .7029 .7044 -.1053 146 THR 146 -.3004 999.9900 .8779 999.9900 .4476 .3417 .7065 .7065 .7065 .4876 147 PHE 147 .7405 -4.3038 999.9900 999.9900 .7573 -.9353 .7066 .7018 .7038 -.2795 148 LYS 148 1.0429 -.3868 999.9900 .6133 .8827 .5531 .7063 .7031 .7044 .5964 149 LYS 149 .6780 1.1488 999.9900 .1731 .8827 .6111 .7070 .7028 .7045 .6379 150 ILE 150 .7958 .8778 999.9900 999.9900 1.0081 .8939 .7069 .7059 .7063 .8189 151 MET 151 .8064 -2.0676 999.9900 .9587 .5203 .0545 .7060 .7031 .7043 .2712 152 GLU 152 .6116 -2.1111 999.9900 .3501 .3568 -.1982 .7050 .7022 .7034 .1024 153 CYS 153 .8160 999.9900 .1296 999.9900 .9108 .6188 .7063 .7027 .7042 .6531 154 LYS 154 .0419 -.3256 999.9900 -.4035 .8827 -.0416 .7069 .7024 .7043 .1716 155 LYS 155 -3.0472 -1.2293 999.9900 .7677 .8827 -.3717 .7069 .7024 .7043 -.0642 156 LYS 156 -2.1024 -1.3520 999.9900 .5368 .8827 -.2996 .7065 .6556 .6768 -.0194 157 PRO 157 -2.2417 999.9900 999.9900 999.9900 .4496 -.8960 .7067 .6137 .6524 -.1179 158 GLN 158 -3.1236 -2.6982 999.9900 1.3059 .5113 -1.0012 .7065 .7037 .7049 -.4324 159 GLY 159 -3.4864 999.9900 999.9900 999.9900 .8277 -1.3294 .7068 .7038 .7051 -.3120 160 GLN 160 -3.1236 -1.3011 999.9900 1.3059 .5113 -.6519 .7065 .7032 .7046 -.1996 161 GLY 161 -1.8567 999.9900 999.9900 999.9900 .7883 -.5342 .7058 .7054 .7056 .0857 162 ASN 162 -1.3289 -2.0766 999.9900 999.9900 .7518 -.8845 .7067 .7028 .7044 -.2488 163 ASP 163 -1.3478 -3.1847 999.9900 999.9900 .8104 -1.2407 .7070 .7034 .7049 -.4623 164 ASP 164 -2.2314 -2.6388 999.9900 999.9900 .8104 -1.3533 .7058 .7035 .7045 -.5301 165 ILE 165 -4.2337 -1.7901 999.9900 999.9900 .6034 -1.8068 .7071 .7068 .7069 -.8013 166 SER 166 -2.1138 999.9900 1.2119 999.9900 .6705 -.0771 .7065 .7021 .7040 .2354 167 HIS 167 -2.5191 -2.4183 999.9900 999.9900 .6686 -1.4229 .7065 .7040 .7050 -.5717 168 VAL 168 .0815 999.9900 -1.0788 999.9900 .7810 -.0721 .7069 .7060 .7064 .2393 169 LEU 169 -.8188 -.5159 999.9900 999.9900 .9565 -.1261 .7069 .7027 .7044 .2063 170 ARG 170 -1.2588 -2.8571 999.9900 .1593 .8581 -.5878 .7064 .7034 .7047 -.2185 171 GLU 171 -1.5650 -2.3808 999.9900 .3501 .6899 -.7265 .7065 .7030 .7045 -.2494 172 ASP 172 -2.2314 -1.2611 999.9900 999.9900 .7118 -.9269 .7065 .7042 .7051 -.2740 173 GLN 173 999.9900 .1268 999.9900 1.3059 999.9900 .7163 .7069 .7025 .7044 .7105 Means: -.7657 -1.2092 -.2545 .2096 .7407 -.2424 .7063 .6979 .7014 .1152 2.00 analyzed_19