1 GLY 1 999.9900 999.9900 999.9900 999.9900 .7883 .7883 .7059 .7062 .7060 .7334 2 HIS 2 -2.5191 -2.4183 999.9900 999.9900 .6686 -1.4229 .7068 .7035 .7049 -.5717 3 HIS 3 -1.1190 -3.1083 999.9900 999.9900 .6686 -1.1862 .7062 .7042 .7050 -.4297 4 HIS 4 -2.5191 -3.1083 999.9900 999.9900 .6686 -1.6529 .7047 .7025 .7034 -.7103 5 HIS 5 -.9818 -.4813 999.9900 999.9900 .6686 -.2648 .7062 .7037 .7048 .1231 6 HIS 6 -1.4902 -.0314 999.9900 999.9900 .6686 -.2843 .7059 .7034 .7044 .1112 7 HIS 7 -.6701 -3.1083 999.9900 999.9900 .6686 -1.0366 .7046 .7036 .7040 -.3403 8 LEU 8 -1.7422 -2.4128 999.9900 999.9900 .9565 -1.0662 .7063 .7022 .7039 -.3580 9 GLU 9 -2.0601 -.1645 999.9900 -1.0323 .6899 -.6418 .7057 .7039 .7047 -.1929 10 CYS 10 -.8048 999.9900 .1296 999.9900 .4013 -.0913 .7068 .7038 .7050 .2273 11 SER 11 -2.9368 999.9900 -.7153 999.9900 .8922 -.9200 .7064 .7035 .7047 -.2700 12 SER 12 1.1864 999.9900 .3727 999.9900 .6705 .7432 .7061 .7020 .7037 .7275 13 ASP 13 -.2770 -1.0518 999.9900 999.9900 .7118 -.2057 .7068 .7036 .7049 .1587 14 SER 14 -2.4175 999.9900 -.7153 999.9900 .6705 -.8208 .7066 .7030 .7045 -.2106 15 LEU 15 -1.8089 -2.4128 999.9900 999.9900 .9565 -1.0884 .7060 .7020 .7037 -.3714 16 GLN 16 -3.1236 -.4594 999.9900 1.3059 .5113 -.4415 .7062 .7037 .7047 -.0593 17 LEU 17 -.4371 -1.9410 999.9900 999.9900 .8331 -.5150 .7068 .7022 .7041 -.0272 18 HIS 18 -.6701 -.3484 999.9900 999.9900 .6686 -.1166 .7062 .7037 .7048 .2120 19 ASN 19 -.2649 -3.3254 999.9900 999.9900 .8079 -.9274 .7067 .7027 .7044 -.2746 20 VAL 20 -.0463 999.9900 -.0276 999.9900 .7810 .2357 .7066 .7063 .7064 .4240 21 PHE 21 .0490 .5389 999.9900 999.9900 .7573 .4484 .7064 .7041 .7051 .5512 22 VAL 22 -1.5541 999.9900 -1.0788 999.9900 .8778 -.5850 .7057 .7062 .7060 -.0686 23 TYR 23 -3.6999 -2.2600 999.9900 999.9900 .5630 -1.7990 .7061 .7031 .7043 -.7975 24 GLY 24 -3.4864 999.9900 999.9900 999.9900 .8277 -1.3294 .7068 .7045 .7055 -.3119 25 SER 25 .8349 999.9900 -.0289 999.9900 .6705 .4922 .7070 .7030 .7047 .5773 26 PHE 26 -2.5364 .2875 999.9900 999.9900 .7573 -.4972 .7065 .7033 .7046 -.0163 27 GLN 27 .9013 -.4594 999.9900 1.3059 .5113 .5648 .7065 .7038 .7049 .6116 28 ASP 28 -.6028 -1.0010 999.9900 999.9900 .8104 -.2645 .7066 .6558 .6770 .1138 29 PRO 29 -.4052 999.9900 999.9900 999.9900 .4496 .0222 .7064 .6086 .6493 .3398 30 ASP 30 1.0149 -2.1980 999.9900 999.9900 .8104 -.1242 .7068 .7036 .7049 .2075 31 VAL 31 .5660 999.9900 .2799 999.9900 .7810 .5423 .7067 .7062 .7064 .6079 32 ILE 32 .4667 -1.0628 999.9900 999.9900 1.0081 .1374 .7065 .7059 .7061 .3649 33 ASN 33 .9642 -2.7010 999.9900 999.9900 .7518 -.3283 .7069 .7030 .7046 .0850 34 VAL 34 .3707 999.9900 -1.0788 999.9900 .8960 .0626 .7062 .7062 .7062 .3201 35 MET 35 .5476 -2.5481 999.9900 .9587 .5203 -.1304 .7061 .7031 .7043 .1479 36 LEU 36 -3.7702 -3.3760 999.9900 999.9900 .8331 -2.1043 .7069 .7026 .7044 -.9807 37 ASP 37 -3.3417 -2.4630 999.9900 999.9900 .7118 -1.6976 .7065 .7042 .7051 -.7364 38 ARG 38 -.8053 -.4990 999.9900 .1593 .8581 -.0255 .7068 .7036 .7049 .1833 39 THR 39 -.9300 999.9900 -.8810 999.9900 .4476 -.4545 .7065 .6608 .6798 .0008 40 PRO 40 .4197 999.9900 999.9900 999.9900 .4496 .4347 .7065 .6063 .6480 .5455 41 GLU 41 -.6811 -.5367 999.9900 -1.0323 .6899 -.3901 .7065 .7026 .7042 -.0252 42 ILE 42 .3059 -1.9342 999.9900 999.9900 1.0081 -.2067 .7067 .7058 .7062 .1585 43 VAL 43 .0764 999.9900 -1.0788 999.9900 .8778 -.0415 .7069 .7061 .7065 .2577 44 SER 44 -.5457 999.9900 -.7153 999.9900 .6705 -.1968 .7064 .7023 .7040 .1636 45 ALA 45 -.5509 999.9900 999.9900 999.9900 .8416 .1454 .7058 .7051 .7054 .4254 46 THR 46 .5084 999.9900 .2916 999.9900 .4476 .4159 .7065 .7057 .7060 .5320 47 LEU 47 -2.5767 -.7461 999.9900 999.9900 .8331 -.8299 .7066 .6542 .6760 -.2258 48 PRO 48 .4197 999.9900 999.9900 999.9900 .4496 .4347 .7061 .6173 .6543 .5482 49 GLY 49 1.0314 999.9900 999.9900 999.9900 .8277 .9295 .7068 .7052 .7059 .8178 50 PHE 50 -.0803 -.6014 999.9900 999.9900 .8629 .0604 .7067 .7031 .7046 .3182 51 GLN 51 -.3431 -2.2325 999.9900 1.3059 .5113 -.1896 .7067 .7034 .7048 .1086 52 ARG 52 -.4945 -2.8571 999.9900 .1593 .8581 -.4350 .7068 .7018 .7039 -.1095 53 PHE 53 .0629 -1.5726 999.9900 999.9900 .7573 -.2508 .7066 .7026 .7042 .1314 54 ARG 54 -.7879 -2.8571 999.9900 .1593 .8581 -.4937 .7068 .7027 .7044 -.1513 55 LEU 55 -3.7702 -1.4262 999.9900 999.9900 .8331 -1.4544 .7067 .7014 .7037 -.5910 56 LYS 56 -3.5196 -1.9682 999.9900 .5761 .7460 -.7179 .7066 .7028 .7044 -.3115 57 GLY 57 -3.4864 999.9900 999.9900 999.9900 .8277 -1.3294 .7068 .7053 .7060 -.3116 58 ARG 58 -2.5097 -2.0954 999.9900 .6901 .8581 -.4734 .7063 .7023 .7040 -.1369 59 LEU 59 -1.2495 -.0082 999.9900 999.9900 .9565 -.1004 .7054 .7020 .7034 .2212 60 TYR 60 -.4486 .3565 999.9900 999.9900 .5630 .1570 .7064 .6595 .6790 .3673 61 PRO 61 -2.5362 999.9900 999.9900 999.9900 .4496 -1.0433 .7062 .6118 .6511 -.1921 62 CYS 62 -2.4999 999.9900 .1296 999.9900 .9108 -.4865 .7058 .7033 .7043 -.0101 63 ILE 63 .2866 -.0177 999.9900 999.9900 1.0081 .4257 .7059 .7052 .7055 .5376 64 VAL 64 -.0582 999.9900 -1.0788 999.9900 .7810 -.1186 .7064 .6619 .6804 .2025 65 PRO 65 .0120 999.9900 999.9900 999.9900 .6931 .3525 .7067 .6131 .6521 .5062 66 SER 66 .2241 999.9900 -.7153 999.9900 .6705 .0598 .7065 .7033 .7047 .3178 67 GLU 67 .8733 -2.8418 999.9900 -1.0323 .6899 -.5777 .7057 .7031 .7042 -.1504 68 LYS 68 -3.5196 -.2562 999.9900 -.0397 .7460 -.6219 .7053 .7026 .7037 -.2431 69 GLY 69 -1.0699 999.9900 999.9900 999.9900 .8277 -.1211 .7066 .7043 .7053 .2922 70 GLU 70 -.4325 -1.6501 999.9900 -1.0323 1.0761 -.5097 .7068 .7036 .7049 -.1047 71 VAL 71 .4077 999.9900 .5873 999.9900 .8960 .6303 .7064 .7060 .7061 .6607 72 HIS 72 -.7615 -1.1713 999.9900 999.9900 .6686 -.4214 .7055 .7037 .7045 .0290 73 GLY 73 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .7064 .7049 .7056 -.0647 74 LYS 74 -.2978 .0632 999.9900 -.4035 .8827 -.0318 .7067 .7028 .7044 .1786 75 VAL 75 .3372 999.9900 -1.0788 999.9900 .7810 .0132 .7060 .7055 .7057 .2902 76 LEU 76 -1.0430 -1.9980 999.9900 999.9900 .8331 -.7359 .7068 .7039 .7051 -.1594 77 MET 77 -.9371 -1.0247 999.9900 .9587 .5203 -.1207 .7058 .7031 .7042 .1543 78 GLY 78 .6263 999.9900 999.9900 999.9900 .7883 .7073 .7070 .7057 .7063 .7068 79 VAL 79 -1.0731 999.9900 -1.0788 999.9900 .7810 -.4569 .7061 .7053 .7056 .0081 80 THR 80 -.1761 999.9900 .2916 999.9900 .7246 .2800 .7067 .7059 .7062 .4505 81 SER 81 1.0911 999.9900 -.7153 999.9900 .6705 .3488 .7059 .7025 .7039 .4909 82 ASP 82 1.0815 -1.3712 999.9900 999.9900 .7118 .1407 .7056 .7034 .7043 .3662 83 GLU 83 .6116 -1.2470 999.9900 .3501 .6899 .1012 .7050 .7029 .7038 .3021 84 LEU 84 .8182 -.0082 999.9900 999.9900 .9565 .5889 .7046 .7030 .7037 .6348 85 GLU 85 .8733 -2.8418 999.9900 .3501 .6899 -.2321 .7062 .7025 .7041 .0800 86 ASN 86 .9310 -3.3254 999.9900 999.9900 .7518 -.5475 .7062 .7026 .7041 -.0467 87 LEU 87 .8182 .6031 999.9900 999.9900 .8331 .7515 .7064 .7031 .7045 .7328 88 ASP 88 .6418 -.8657 999.9900 999.9900 .8104 .1955 .7065 .7036 .7048 .3993 89 ALA 89 .3637 999.9900 999.9900 999.9900 .7458 .5548 .7066 .7055 .7059 .6304 90 VAL 90 .9834 999.9900 .8662 999.9900 .7810 .8769 .7063 .7053 .7057 .8084 91 GLU 91 -.1289 -1.3804 999.9900 -1.0323 .6899 -.4629 .7059 .7023 .7038 -.0739 92 GLY 92 -.3460 999.9900 999.9900 999.9900 .8277 .2408 .7068 .7056 .7061 .4735 93 ASN 93 1.1117 -1.4522 999.9900 999.9900 .7518 .1371 .7068 .7029 .7046 .3642 94 GLU 94 -2.3953 .5254 999.9900 1.1588 .3568 -.0886 .7061 .7024 .7039 .1757 95 TYR 95 .1219 -.6325 999.9900 999.9900 .5630 .0175 .7065 .7036 .7048 .2925 96 GLU 96 -.3633 -.7009 999.9900 .3501 .3568 -.0893 .7063 .7038 .7048 .1755 97 ARG 97 -.8053 -1.8960 999.9900 .1593 .8581 -.3049 .7068 .7032 .7047 -.0164 98 VAL 98 -.3637 999.9900 -1.0788 999.9900 .7810 -.2205 .7059 .7060 .7060 .1501 99 THR 99 .0466 999.9900 -.8810 999.9900 .4476 -.1289 .7055 .7053 .7054 .2048 100 VAL 100 -.7132 999.9900 -.5532 999.9900 .7810 -.1618 .7049 .7057 .7053 .1851 101 GLY 101 -.9159 999.9900 999.9900 999.9900 .7883 -.0638 .7069 .7044 .7055 .3209 102 ILE 102 -.6347 -2.2551 999.9900 999.9900 1.0081 -.6272 .7061 .7056 .7058 -.0940 103 VAL 103 .3758 999.9900 -.5532 999.9900 .7810 .2012 .7066 .7062 .7064 .4033 104 ARG 104 -1.0952 -1.5080 999.9900 .9503 .8581 .0311 .7069 .7028 .7045 .2236 105 GLU 105 -.4919 1.0351 999.9900 -1.0323 .6899 .0502 .7065 .7025 .7042 .2683 106 ASP 106 -.2299 -1.4992 999.9900 999.9900 .8104 -.3062 .7057 .7037 .7045 .0981 107 ASN 107 -3.4329 -3.3254 999.9900 999.9900 .6279 -2.0435 .7067 .7026 .7043 -.9442 108 SER 108 -3.7598 999.9900 -.7153 999.9900 .6705 -1.2682 .7059 .7024 .7038 -.4793 109 GLU 109 -.3103 -1.3104 999.9900 .3501 .6899 -.1452 .7059 .7022 .7038 .1379 110 LYS 110 -.3350 -2.9005 999.9900 .2495 .8827 -.3708 .7060 .7033 .7044 -.0635 111 MET 111 -.4857 -2.5481 999.9900 .9587 .5203 -.3887 .7067 .7039 .7050 -.0240 112 ALA 112 -1.2183 999.9900 999.9900 999.9900 .7458 -.2362 .7064 .7052 .7057 .2348 113 VAL 113 -.7132 999.9900 -1.0788 999.9900 .8960 -.2986 .7064 .7054 .7058 .1032 114 LYS 114 -.3286 -1.5918 999.9900 -.4035 .7460 -.3963 .7067 .7026 .7043 -.0817 115 THR 115 .2973 999.9900 -.8810 999.9900 .7246 .0469 .7064 .7065 .7064 .3107 116 TYR 116 .0500 -1.3592 999.9900 999.9900 .8158 -.1644 .7065 .7029 .7044 .1832 117 MET 117 -.3815 -2.5481 999.9900 .9587 .5203 -.3627 .7057 .7036 .7044 -.0069 118 TRP 118 -.4879 -1.9067 999.9900 999.9900 .9378 -.4856 .7066 .7034 .7047 -.0094 119 ILE 119 1.0115 -1.5793 999.9900 999.9900 .6034 .0119 .7068 .7062 .7064 .2897 120 ASN 120 -.8722 -.5009 999.9900 999.9900 .7518 -.2071 .7061 .7032 .7044 .1576 121 LYS 121 -2.2985 -.3555 999.9900 -.4035 .8827 -.5157 .7064 .7024 .7041 -.1671 122 ALA 122 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .7061 .7055 .7058 -.3268 123 ASP 123 -1.5723 -2.6388 999.9900 999.9900 .8104 -1.1335 .7069 .6565 .6775 -.4074 124 PRO 124 -2.4417 999.9900 999.9900 999.9900 .4496 -.9960 .7056 .6030 .6458 -.1709 125 ASP 125 -1.5212 -2.0928 999.9900 999.9900 .8104 -.9345 .7066 .7039 .7050 -.2786 126 MET 126 -1.9811 -2.0676 999.9900 .9587 .5203 -.6424 .7067 .7040 .7051 -.1932 127 PHE 127 -1.9971 -4.3038 999.9900 999.9900 .7573 -1.8479 .7064 .7029 .7044 -.8269 128 GLY 128 -.7504 999.9900 999.9900 999.9900 .8277 .0386 .7067 .7046 .7055 .3721 129 GLU 129 -.6163 -2.8418 999.9900 .3501 .6899 -.6045 .7063 .7031 .7044 -.1681 130 TRP 130 -.9087 -3.3859 999.9900 999.9900 .9378 -1.1189 .7051 .7034 .7041 -.3897 131 ASN 131 .1528 -3.3254 999.9900 999.9900 .7518 -.8069 .7061 .7028 .7042 -.2024 132 PHE 132 .4032 -2.5581 999.9900 999.9900 .8629 -.4307 .7066 .7033 .7046 .0236 133 GLU 133 .8604 -2.8418 999.9900 -1.0323 .6899 -.5810 .7064 .7033 .7046 -.1524 134 GLU 134 .8733 -2.1111 999.9900 -1.0323 .6899 -.3951 .7054 .7031 .7041 -.0286 135 TRP 135 1.2612 -1.6686 999.9900 999.9900 .8342 .1423 .7064 .7028 .7043 .3672 136 LYS 136 .7090 -1.8181 999.9900 .1140 .7460 -.0270 .7068 .7033 .7048 .1821 137 ARG 137 .6323 -.3171 999.9900 .1593 .8581 .2984 .7049 .7034 .7040 .4143 138 LEU 138 -.2213 -1.5262 999.9900 999.9900 .8331 -.3048 .7061 .7031 .7043 .0990 139 HIS 139 -.5879 -.5551 999.9900 999.9900 .6686 -.1581 .7049 .7040 .7043 .1869 140 LYS 140 -.1232 -1.5918 999.9900 .4411 .8827 .0100 .7065 .7022 .7040 .2084 141 LYS 141 -.1232 -1.5918 999.9900 .1731 .8827 -.0972 .7069 .7030 .7047 .1320 142 LYS 142 .9451 -.9566 999.9900 -.0770 .7460 .1161 .7066 .7030 .7045 .2843 143 PHE 143 .0766 -.7766 999.9900 999.9900 .7573 .0191 .7065 .7033 .7046 .2934 144 ILE 144 .0556 -.0177 999.9900 999.9900 .6034 .2137 .7070 .7057 .7062 .4108 145 GLU 145 .0908 -1.2470 999.9900 .3501 .3568 -.1123 .7063 .7013 .7034 .1597 146 THR 146 .1421 999.9900 -.8810 999.9900 .4476 -.0971 .7061 .7063 .7062 .2242 147 PHE 147 .7405 -4.3038 999.9900 999.9900 .7573 -.9353 .7069 .7029 .7045 -.2792 148 LYS 148 1.0429 -2.4344 999.9900 -.0397 .8827 -.1177 .7066 .7024 .7041 .1172 149 LYS 149 .6780 .8596 999.9900 .5131 .8827 .6893 .7062 .7032 .7044 .6937 150 ILE 150 1.0115 .8778 999.9900 999.9900 1.0081 .9658 .7068 .7065 .7066 .8621 151 MET 151 .8434 -1.0247 999.9900 .9587 .5203 .3244 .7062 .7028 .7042 .4511 152 GLU 152 .8604 -1.1891 999.9900 .3501 .6899 .1778 .7062 .7028 .7042 .3534 153 CYS 153 1.0621 999.9900 .1296 999.9900 .9108 .7008 .7068 .7031 .7046 .7025 154 LYS 154 .6780 -.4721 999.9900 .4778 .8827 .4088 .7070 .7026 .7044 .4934 155 LYS 155 -3.5196 -1.0793 999.9900 -.4035 .8827 -.9046 .7065 .7036 .7048 -.4447 156 LYS 156 -.7523 -1.0793 999.9900 .2495 .8827 -.0900 .7065 .6552 .6766 .1303 157 PRO 157 -1.1662 999.9900 999.9900 999.9900 .4496 -.3583 .7067 .6092 .6498 .1498 158 GLN 158 -.7947 -2.6982 999.9900 1.3059 .5113 -.4189 .7063 .7036 .7047 -.0443 159 GLY 159 -3.4864 999.9900 999.9900 999.9900 .8277 -1.3294 .7059 .7042 .7050 -.3121 160 GLN 160 -.8581 -2.6982 999.9900 1.3059 .5113 -.4348 .7062 .7032 .7044 -.0550 161 GLY 161 -.4374 999.9900 999.9900 999.9900 .8277 .1951 .7067 .7049 .7057 .4505 162 ASN 162 -.8440 .1804 999.9900 999.9900 .7518 .0294 .7055 .7030 .7040 .2994 163 ASP 163 -1.9072 -3.7306 999.9900 999.9900 .8104 -1.6091 .7064 .7043 .7051 -.6834 164 ASP 164 -1.0188 -.8253 999.9900 999.9900 .8104 -.3446 .7068 .7036 .7049 .0753 165 ILE 165 -2.1127 .1020 999.9900 999.9900 .6034 -.4691 .7070 .7065 .7067 .0012 166 SER 166 -.5057 999.9900 -.0289 999.9900 .6705 .0453 .7062 .7027 .7041 .3090 167 HIS 167 -1.7665 -3.1083 999.9900 999.9900 .6686 -1.4021 .7057 .7038 .7046 -.5594 168 VAL 168 -.0523 999.9900 -.5532 999.9900 .7810 .0585 .7052 .7055 .7054 .3173 169 LEU 169 -.6154 -3.3760 999.9900 999.9900 .9565 -1.0116 .7066 .7036 .7049 -.3249 170 ARG 170 -.3214 -1.0274 999.9900 .1593 .6728 -.0715 .7066 .7024 .7042 .1502 171 GLU 171 -2.3953 -1.5476 999.9900 -1.0323 .6899 -1.0713 .7054 .7021 .7035 -.4796 172 ASP 172 -2.2314 -3.7306 999.9900 999.9900 .7118 -1.7501 .7066 .7032 .7046 -.7681 173 GLN 173 999.9900 -2.6982 999.9900 1.3059 999.9900 -.6962 .7070 .7013 .7037 .0040 Means: -.6567 -1.5681 -.4580 .2019 .7393 -.2968 .7063 .6979 .7014 .0814 2.00 analyzed_9