1 GLY 1 999.9900 999.9900 999.9900 999.9900 .7883 .7883 .7062 .7062 .7062 .7336 2 HIS 2 -.5879 -.7214 999.9900 999.9900 .6686 -.2136 .7057 .7041 .7048 .1538 3 HIS 3 -.9818 -.2312 999.9900 999.9900 .6686 -.1815 .7069 .7027 .7044 .1730 4 HIS 4 -2.1861 -1.1713 999.9900 999.9900 .6686 -.8963 .7066 .7033 .7047 -.2558 5 HIS 5 -1.4902 -1.7284 999.9900 999.9900 .6686 -.8500 .7057 .7034 .7043 -.2282 6 HIS 6 -.7145 -3.1083 999.9900 999.9900 .6686 -1.0514 .7052 .7037 .7043 -.3491 7 HIS 7 -2.5191 -1.7284 999.9900 999.9900 .6686 -1.1929 .7058 .7038 .7046 -.4339 8 LEU 8 -.9308 -1.3608 999.9900 999.9900 .9565 -.4451 .7066 .7032 .7046 .0149 9 GLU 9 -.3484 -2.1111 999.9900 -1.0323 .6899 -.7005 .7045 .7042 .7043 -.2322 10 CYS 10 -.7506 999.9900 .1296 999.9900 1.0610 .1467 .7067 .7034 .7048 .3700 11 SER 11 -.5560 999.9900 .3727 999.9900 .8922 .2363 .7069 .7022 .7042 .4236 12 SER 12 .0652 999.9900 -.7153 999.9900 .6705 .0068 .7068 .7028 .7044 .2860 13 ASP 13 -.1788 -1.3712 999.9900 999.9900 .7118 -.2794 .7066 .7037 .7049 .1144 14 SER 14 -.6802 999.9900 -.7153 999.9900 .6705 -.2417 .7065 .7008 .7032 .1364 15 LEU 15 -3.7702 -2.5464 999.9900 999.9900 .9565 -1.7867 .7058 .7025 .7039 -.7903 16 GLN 16 -3.1236 -2.6982 999.9900 1.3059 .5113 -1.0012 .7051 .7038 .7044 -.4326 17 LEU 17 -.4371 -1.9410 999.9900 999.9900 .8331 -.5150 .7058 .7033 .7043 -.0272 18 HIS 18 -.6701 -.3484 999.9900 999.9900 .6686 -.1166 .7063 .7039 .7049 .2120 19 ASN 19 -.7163 -3.3254 999.9900 999.9900 .8079 -1.0779 .7063 .7026 .7041 -.3650 20 VAL 20 .3116 999.9900 -1.0788 999.9900 .7810 .0046 .7071 .7059 .7064 .2854 21 PHE 21 -.2560 .8308 999.9900 999.9900 .7573 .4440 .7062 .7021 .7038 .5481 22 VAL 22 -2.7360 999.9900 .4980 999.9900 .7810 -.4857 .7068 .7058 .7062 -.0089 23 TYR 23 -3.1208 -1.5559 999.9900 999.9900 .5630 -1.3713 .7058 .7024 .7038 -.5411 24 GLY 24 -3.4864 999.9900 999.9900 999.9900 .8897 -1.2983 .7069 .7053 .7060 -.2961 25 SER 25 .5661 999.9900 .3727 999.9900 .6705 .5364 .7068 .7023 .7041 .6037 26 PHE 26 -2.5364 -.0090 999.9900 999.9900 .8629 -.5608 .7068 .7033 .7047 -.0545 27 GLN 27 .1030 -.5630 999.9900 1.3059 .5113 .3393 .7065 .7032 .7045 .4611 28 ASP 28 -.6028 -1.5978 999.9900 999.9900 .8104 -.4634 .7061 .6545 .6760 -.0059 29 PRO 29 -.1156 999.9900 999.9900 999.9900 .9143 .3993 .7064 .6133 .6521 .5296 30 ASP 30 1.0149 .1726 999.9900 999.9900 .8104 .6660 .7069 .7032 .7047 .6816 31 VAL 31 .3707 999.9900 -1.0788 999.9900 .7810 .0243 .7066 .7062 .7064 .2972 32 ILE 32 1.0115 -.3653 999.9900 999.9900 .6034 .4165 .7065 .7058 .7061 .5324 33 ASN 33 .9642 -1.1653 999.9900 999.9900 .8079 .2023 .7059 .7020 .7036 .4029 34 VAL 34 -.2954 999.9900 -1.0788 999.9900 .8960 -.1594 .7069 .7059 .7063 .1869 35 MET 35 .5476 -2.5481 999.9900 .9587 .5203 -.1304 .7049 .7038 .7042 .1478 36 LEU 36 -3.7702 -2.5464 999.9900 999.9900 .8331 -1.8278 .7067 .7035 .7048 -.8146 37 ASP 37 -3.3417 -3.1847 999.9900 999.9900 .7118 -1.9382 .7069 .7041 .7053 -.8807 38 ARG 38 -1.6049 -1.5080 999.9900 .7862 .8581 -.1365 .7065 .7017 .7037 .1037 39 THR 39 .0102 999.9900 .0483 999.9900 .9813 .3466 .7064 .6550 .6764 .4802 40 PRO 40 .4197 999.9900 999.9900 999.9900 .4496 .4347 .7061 .6160 .6535 .5479 41 GLU 41 -.7635 -2.8418 999.9900 -1.0323 .6899 -.9869 .7067 .7042 .7052 -.4228 42 ILE 42 -.4035 -2.2551 999.9900 999.9900 1.0081 -.5502 .7065 .7058 .7061 -.0476 43 VAL 43 .0764 999.9900 -1.0788 999.9900 .8778 -.0415 .7066 .7057 .7061 .2576 44 SER 44 -.5457 999.9900 .3727 999.9900 .7781 .2017 .7068 .7033 .7048 .4030 45 ALA 45 -.5509 999.9900 999.9900 999.9900 .8416 .1454 .7068 .7053 .7059 .4257 46 THR 46 .5084 999.9900 .8779 999.9900 .4476 .6113 .7065 .7063 .7064 .6493 47 LEU 47 -2.5767 -.7461 999.9900 999.9900 .8331 -.8299 .7059 .6576 .6777 -.2252 48 PRO 48 .4197 999.9900 999.9900 999.9900 .4496 .4347 .7066 .6159 .6537 .5480 49 GLY 49 1.0314 999.9900 999.9900 999.9900 .8277 .9295 .7061 .7056 .7058 .8177 50 PHE 50 .2240 .0967 999.9900 999.9900 .7573 .3593 .7066 .7025 .7042 .4974 51 GLN 51 -.3431 -2.6982 999.9900 2.7911 .7898 .1349 .7068 .7038 .7050 .3250 52 ARG 52 -.4155 -.1448 999.9900 1.7872 .6728 .7374 .7067 .7016 .7037 .7279 53 PHE 53 .1032 -1.5726 999.9900 999.9900 .8629 -.2022 .7052 .7030 .7039 .1603 54 ARG 54 -.4155 -2.3766 999.9900 .1593 .8581 -.3231 .7049 .7034 .7041 -.0296 55 LEU 55 -3.7702 -2.5464 999.9900 999.9900 .8331 -1.8278 .7059 .7027 .7041 -.8149 56 LYS 56 -3.5196 -1.2293 999.9900 -.0770 .8827 -.8040 .7062 .7024 .7040 -.3731 57 GLY 57 -3.4864 999.9900 999.9900 999.9900 .8277 -1.3294 .7066 .7049 .7057 -.3118 58 ARG 58 -.8418 -2.0954 999.9900 1.0005 .8581 -.0156 .7066 .7025 .7042 .1901 59 LEU 59 -.8682 -.0082 999.9900 999.9900 .9565 .0267 .7064 .7027 .7042 .2978 60 TYR 60 -.3370 -4.1972 999.9900 999.9900 .5630 -1.3238 .7065 .6463 .6714 -.5237 61 PRO 61 -2.8996 999.9900 999.9900 999.9900 .4496 -1.2250 .7063 .6131 .6519 -.2826 62 CYS 62 -1.9168 999.9900 .1296 999.9900 .9108 -.2921 .7061 .7037 .7047 .1067 63 ILE 63 -.1535 -.0414 999.9900 999.9900 1.0081 .2711 .7068 .7063 .7065 .4453 64 VAL 64 -.8680 999.9900 -.2457 999.9900 .7810 -.1109 .7068 .6601 .6796 .2068 65 PRO 65 .0120 999.9900 999.9900 999.9900 .6931 .3525 .7060 .6184 .6549 .5074 66 SER 66 .0184 999.9900 -.7153 999.9900 .8922 .0651 .7058 .7021 .7036 .3206 67 GLU 67 .8604 -1.9198 999.9900 -1.0323 1.0761 -.2539 .7059 .7015 .7034 .0653 68 LYS 68 -3.5196 .6283 999.9900 -.4035 .7460 -.5905 .7046 .7018 .7030 -.2208 69 GLY 69 -1.2645 999.9900 999.9900 999.9900 .8277 -.2184 .7066 .7038 .7051 .2434 70 GLU 70 -.4325 -2.8418 999.9900 -1.0323 .6899 -.9042 .7062 .7029 .7043 -.3679 71 VAL 71 .4077 999.9900 .6672 999.9900 .7810 .6186 .7061 .7065 .7063 .6537 72 HIS 72 -.7615 -1.1713 999.9900 999.9900 .5967 -.4454 .7047 .7018 .7030 .0141 73 GLY 73 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .7061 .7053 .7057 -.0646 74 LYS 74 -.3223 -2.1617 999.9900 -.4035 .8827 -.4817 .7062 .7024 .7039 -.1428 75 VAL 75 .5332 999.9900 -1.0788 999.9900 .7810 .0785 .7063 .7063 .7063 .3296 76 LEU 76 -.7094 -1.3209 999.9900 999.9900 .8331 -.3991 .7063 .7034 .7046 .0425 77 MET 77 -.9371 -1.0247 999.9900 .9587 .5203 -.1207 .7055 .7035 .7044 .1544 78 GLY 78 .6263 999.9900 999.9900 999.9900 .7883 .7073 .7070 .7051 .7060 .7067 79 VAL 79 -.6207 999.9900 -1.0788 999.9900 .7810 -.3061 .7065 .7058 .7061 .0988 80 THR 80 -.1761 999.9900 .7650 999.9900 .7246 .4378 .7053 .7058 .7056 .5449 81 SER 81 1.0911 999.9900 -.0289 999.9900 .6705 .5776 .7063 .7023 .7039 .6283 82 ASP 82 .9343 -.0357 999.9900 999.9900 .8104 .5696 .7067 .7035 .7048 .6238 83 GLU 83 .0765 .3748 999.9900 -1.0323 .6899 .0272 .7063 .7020 .7038 .2529 84 LEU 84 .8182 -.3539 999.9900 999.9900 .8331 .4325 .7065 .7024 .7041 .5413 85 GLU 85 .6116 -1.1891 999.9900 -1.0323 .6899 -.2300 .7069 .7031 .7047 .0817 86 ASN 86 .9310 -3.3254 999.9900 999.9900 .7518 -.5475 .7059 .7033 .7044 -.0467 87 LEU 87 .6296 .8847 999.9900 999.9900 .8331 .7825 .7061 .7034 .7046 .7514 88 ASP 88 1.1285 -1.4992 999.9900 999.9900 .8104 .1466 .7064 .7046 .7053 .3701 89 ALA 89 -.5981 999.9900 999.9900 999.9900 .7458 .0739 .7065 .7052 .7057 .3898 90 VAL 90 -.4842 999.9900 -1.0788 999.9900 .7810 -.2606 .7063 .7061 .7062 .1261 91 GLU 91 -.1289 -1.7714 999.9900 .3501 .6899 -.2151 .7055 .7029 .7040 .0914 92 GLY 92 -.3460 999.9900 999.9900 999.9900 .8277 .2408 .7056 .7051 .7053 .4731 93 ASN 93 .1528 -.5009 999.9900 999.9900 .7518 .1346 .7062 .7030 .7043 .3626 94 GLU 94 -2.8104 -1.4588 999.9900 -1.0323 .3568 -1.2362 .7063 .7015 .7035 -.5895 95 TYR 95 -.2656 .3565 999.9900 999.9900 .5630 .2180 .7071 .7036 .7051 .4129 96 GLU 96 -.5863 .2905 999.9900 -1.0323 .3568 -.2428 .7068 .7037 .7050 .0732 97 ARG 97 -.8053 -.0787 999.9900 .1593 .8581 .0585 .7066 .7026 .7043 .2431 98 VAL 98 -.3637 999.9900 -1.0788 999.9900 .7810 -.2205 .7063 .7058 .7060 .1502 99 THR 99 .0466 999.9900 -.8810 999.9900 .9813 .0490 .7069 .7057 .7062 .3119 100 VAL 100 -.3548 999.9900 .1416 999.9900 .7810 .1893 .7058 .7059 .7059 .3959 101 GLY 101 -.9159 999.9900 999.9900 999.9900 .7883 -.0638 .7060 .7056 .7058 .3210 102 ILE 102 -.6347 -2.2551 999.9900 999.9900 1.0081 -.6272 .7065 .7065 .7065 -.0937 103 VAL 103 .1158 999.9900 .2799 999.9900 .7810 .3922 .7064 .7061 .7062 .5178 104 ARG 104 -1.5415 -1.6149 999.9900 .6901 .8581 -.1836 .7068 .7027 .7044 .0702 105 GLU 105 -.2702 1.2230 999.9900 -1.0323 .6899 .1526 .7057 .7034 .7044 .3366 106 ASP 106 -1.1493 -.7868 999.9900 999.9900 .8104 -.3753 .7060 .7041 .7049 .0568 107 ASN 107 -3.4329 -3.3254 999.9900 999.9900 .6279 -2.0435 .7063 .7030 .7044 -.9442 108 SER 108 -3.7598 999.9900 -.7153 999.9900 .6705 -1.2682 .7064 .7034 .7047 -.4790 109 GLU 109 -.4269 -1.1358 999.9900 3.5600 .6899 .6718 .7063 .7028 .7042 .6827 110 LYS 110 -.3038 -1.3520 999.9900 -.0770 .8827 -.1854 .7067 .7032 .7047 .0690 111 MET 111 -.4857 -2.5481 999.9900 .9587 .5203 -.3887 .7066 .7038 .7050 -.0241 112 ALA 112 -.9131 999.9900 999.9900 999.9900 .7458 -.0837 .7066 .7060 .7063 .3113 113 VAL 113 -.7132 999.9900 -.0276 999.9900 .7810 .0134 .7071 .7058 .7063 .2906 114 LYS 114 -.3286 .3467 999.9900 -.4035 .7460 -.0086 .7064 .7032 .7045 .1952 115 THR 115 .2973 999.9900 -.2947 999.9900 .4476 .1500 .7067 .7055 .7060 .3725 116 TYR 116 .2641 .4149 999.9900 999.9900 .5630 .4140 .7064 .7022 .7039 .5301 117 MET 117 -.5247 -1.5870 999.9900 .9587 .5203 -.1582 .7057 .7035 .7044 .1294 118 TRP 118 .1017 -3.3859 999.9900 999.9900 .9378 -.7821 .7060 .7031 .7043 -.1874 119 ILE 119 .6852 -1.6252 999.9900 999.9900 1.0081 .0227 .7065 .7063 .7063 .2962 120 ASN 120 -.9968 -3.3254 999.9900 999.9900 .7518 -1.1901 .7069 .7030 .7046 -.4321 121 LYS 121 -2.1024 .0381 999.9900 -.4035 .8827 -.3977 .7069 .7028 .7045 -.0827 122 ALA 122 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .7062 .7049 .7054 -.3269 123 ASP 123 -.1859 -2.1980 999.9900 999.9900 .8104 -.5245 .7058 .6516 .6742 -.0432 124 PRO 124 -.1156 999.9900 999.9900 999.9900 .4496 .1670 .7068 .6158 .6537 .4141 125 ASP 125 -1.6275 -2.4630 999.9900 999.9900 .8104 -1.0934 .7066 .7045 .7054 -.3738 126 MET 126 -.1671 -1.0247 999.9900 .9587 .5203 .0718 .7068 .7030 .7046 .2828 127 PHE 127 -3.6149 -2.6964 999.9900 999.9900 .7573 -1.8513 .7062 .7037 .7048 -.8288 128 GLY 128 -1.4300 999.9900 999.9900 999.9900 .8277 -.3012 .7058 .7050 .7054 .2021 129 GLU 129 -.4497 .0644 999.9900 -1.0323 .6899 -.1820 .7058 .7029 .7041 .1135 130 TRP 130 -.5246 -3.3859 999.9900 999.9900 .9378 -.9909 .7064 .7037 .7049 -.3125 131 ASN 131 -1.9210 -1.8756 999.9900 999.9900 .7518 -1.0149 .7065 .7037 .7049 -.3269 132 PHE 132 .4032 .3647 999.9900 999.9900 .7573 .5084 .7063 .7033 .7046 .5870 133 GLU 133 .8604 -.9194 999.9900 1.1588 .6899 .4474 .7058 .7031 .7042 .5331 134 GLU 134 -.2326 -1.9198 999.9900 .3501 .6899 -.2781 .7068 .7021 .7040 .0494 135 TRP 135 .7294 -1.6686 999.9900 999.9900 .8342 -.0350 .7069 .7031 .7047 .2610 136 LYS 136 1.0429 -2.9005 999.9900 -.4035 .7460 -.3837 .7068 .7024 .7043 -.0728 137 ARG 137 .6323 -.8157 999.9900 .1593 .8581 .1987 .7057 .7032 .7042 .3432 138 LEU 138 -.2213 -1.6805 999.9900 999.9900 .8331 -.3562 .7060 .7036 .7046 .0682 139 HIS 139 -.4783 -1.5062 999.9900 999.9900 .6686 -.4386 .7049 .7031 .7038 .0184 140 LYS 140 .2805 -.1697 999.9900 -.4035 .8827 .0373 .7055 .7031 .7041 .2279 141 LYS 141 -.1232 .1332 999.9900 .1140 .8827 .2241 .7067 .7019 .7039 .3613 142 LYS 142 .9451 -1.6955 999.9900 -.4035 .7460 -.1623 .7065 .7038 .7049 .0855 143 PHE 143 -.0639 -4.3038 999.9900 999.9900 .7573 -1.2035 .7059 .7030 .7042 -.4403 144 ILE 144 .0556 -.0177 999.9900 999.9900 .6034 .2137 .7061 .7063 .7062 .4107 145 GLU 145 .0908 -1.2470 999.9900 .3501 .6899 -.0290 .7062 .7017 .7036 .2153 146 THR 146 .1421 999.9900 -.8810 999.9900 .4476 -.0971 .7066 .7061 .7063 .2243 147 PHE 147 .7405 -3.6820 999.9900 999.9900 .7573 -.7280 .7063 .7024 .7040 -.1551 148 LYS 148 1.0429 -.9566 999.9900 -.4035 .8827 .0324 .7063 .7016 .7035 .2243 149 LYS 149 .6780 -.4196 999.9900 -.0397 .8827 .2123 .7059 .7028 .7041 .3529 150 ILE 150 .7958 .8778 999.9900 999.9900 1.0081 .8939 .7068 .7065 .7067 .8190 151 MET 151 .6473 -2.0676 999.9900 .9587 .5203 .0147 .7065 .7036 .7048 .2448 152 GLU 152 .8733 -1.7714 999.9900 1.1588 .6899 .2376 .7046 .7028 .7035 .3930 153 CYS 153 1.0802 999.9900 .1296 999.9900 .9108 .7069 .7058 .7032 .7043 .7059 154 LYS 154 .9480 -.8858 999.9900 -.0770 .8827 .1582 .7067 .7025 .7042 .3143 155 LYS 155 .1686 .8596 999.9900 -.4035 .8827 .2208 .7062 .7024 .7040 .3589 156 LYS 156 -.4999 -.3868 999.9900 -.4035 .7460 -.1895 .7065 .6591 .6788 .0597 157 PRO 157 .0120 999.9900 999.9900 999.9900 .4496 .2308 .7064 .6096 .6499 .4444 158 GLN 158 -3.1236 -2.2325 999.9900 1.3059 .5113 -.8847 .7067 .7028 .7044 -.3549 159 GLY 159 -1.3427 999.9900 999.9900 999.9900 .8277 -.2575 .7063 .7042 .7051 .2239 160 GLN 160 -3.1236 -2.6982 999.9900 1.3059 .5113 -1.0012 .7065 .7028 .7043 -.4326 161 GLY 161 -1.7079 999.9900 999.9900 999.9900 .8277 -.4401 .7052 .7057 .7055 .1327 162 ASN 162 -1.1054 -1.5725 999.9900 999.9900 .8079 -.6233 .7061 .7040 .7049 -.0920 163 ASP 163 -1.5212 -2.3194 999.9900 999.9900 .8104 -1.0101 .7067 .7040 .7051 -.3239 164 ASP 164 -1.8260 -1.7735 999.9900 999.9900 .8104 -.9297 .7058 .7043 .7049 -.2758 165 ILE 165 -4.2337 -1.3043 999.9900 999.9900 .6034 -1.6449 .7070 .7065 .7067 -.7042 166 SER 166 -.9964 999.9900 -.0289 999.9900 .6705 -.1182 .7066 .7019 .7038 .2108 167 HIS 167 -2.5191 -3.1083 999.9900 999.9900 .6686 -1.6529 .7057 .7031 .7042 -.7100 168 VAL 168 -1.1433 999.9900 -.5532 999.9900 .7810 -.3051 .7067 .7053 .7059 .0993 169 LEU 169 -1.9234 -2.5464 999.9900 999.9900 .8331 -1.2122 .7067 .7035 .7048 -.4453 170 ARG 170 -2.0927 .7317 999.9900 .1593 .8581 -.0369 .7065 .7024 .7041 .1749 171 GLU 171 -1.1499 -.7564 999.9900 -1.0323 .6899 -.5622 .7060 .7031 .7043 -.1399 172 ASP 172 -1.8260 -2.1980 999.9900 999.9900 .7118 -1.1041 .7067 .7042 .7052 -.3803 173 GLN 173 999.9900 -1.7668 999.9900 1.3059 999.9900 -.2305 .7071 .6999 .7030 .2365 Means: -.6908 -1.3849 -.2923 .1608 .7523 -.2612 .7063 .6980 .7015 .1035 2.00 analyzed_7