1 GLY 1 999.9900 999.9900 999.9900 999.9900 .7883 .7883 .7064 .7062 .7063 .7336 2 HIS 2 -1.0475 -1.0384 999.9900 999.9900 .6686 -.4724 .7062 .7036 .7047 -.0015 3 HIS 3 -.6280 -3.1083 999.9900 999.9900 .6686 -1.0226 .7063 .7031 .7045 -.3316 4 HIS 4 -.0795 -3.1083 999.9900 999.9900 .6686 -.8397 .7066 .7031 .7045 -.2219 5 HIS 5 .1079 -3.1083 999.9900 999.9900 .6686 -.7773 .7063 .7040 .7050 -.1843 6 HIS 6 -3.0884 -3.1083 999.9900 999.9900 .6686 -1.8427 .7065 .7035 .7047 -.8236 7 HIS 7 -2.5191 -2.0147 999.9900 999.9900 .6686 -1.2884 .7060 .7035 .7045 -.4911 8 LEU 8 -.3299 -2.0611 999.9900 999.9900 .8331 -.5193 .7059 .7034 .7045 -.0297 9 GLU 9 -2.0601 -.9977 999.9900 -1.0323 .3568 -.9334 .7063 .7028 .7042 -.3874 10 CYS 10 -1.3337 999.9900 .1296 999.9900 1.0610 -.0477 .7066 .7032 .7046 .2533 11 SER 11 -1.2119 999.9900 -.7153 999.9900 .8922 -.3450 .7070 .7030 .7047 .0750 12 SER 12 -1.4442 999.9900 .8786 999.9900 .6705 .0350 .7069 .7029 .7046 .3030 13 ASP 13 -2.8635 -2.4630 999.9900 999.9900 .7118 -1.5382 .7066 .7034 .7048 -.6409 14 SER 14 -.1309 999.9900 -.7153 999.9900 .6705 -.0586 .7065 .7026 .7042 .2467 15 LEU 15 -1.8089 -2.4128 999.9900 999.9900 .8331 -1.1295 .7065 .7027 .7043 -.3959 16 GLN 16 -.9283 -1.3908 999.9900 1.3059 .5113 -.1255 .7061 .7027 .7041 .1511 17 LEU 17 -.4930 .5521 999.9900 999.9900 .8331 .2974 .7059 .7034 .7044 .4603 18 HIS 18 -.5497 -1.3248 999.9900 999.9900 .6686 -.4020 .7055 .7034 .7042 .0406 19 ASN 19 -.7163 -2.7010 999.9900 999.9900 .8079 -.8698 .7060 .7027 .7041 -.2401 20 VAL 20 -.0463 999.9900 -.2457 999.9900 .7810 .1630 .7064 .7050 .7056 .3801 21 PHE 21 -.2457 .3192 999.9900 999.9900 .7573 .2769 .7063 .7030 .7043 .4480 22 VAL 22 -2.6451 999.9900 -1.0788 999.9900 .7810 -.9809 .7061 .7063 .7062 -.3061 23 TYR 23 -3.6999 -1.5559 999.9900 999.9900 .5630 -1.5643 .7066 .7025 .7042 -.6568 24 GLY 24 -3.4864 999.9900 999.9900 999.9900 .8897 -1.2983 .7067 .7056 .7061 -.2961 25 SER 25 .8349 999.9900 .8786 999.9900 .6705 .7947 .7058 .7028 .7041 .7585 26 PHE 26 -2.7602 .0765 999.9900 999.9900 .7573 -.6421 .7069 .7028 .7045 -.1033 27 GLN 27 -.5313 -2.2325 999.9900 1.3059 .5113 -.2367 .7066 .7038 .7050 .0773 28 ASP 28 -.6028 -2.6388 999.9900 999.9900 .8104 -.8104 .7061 .6588 .6785 -.2133 29 PRO 29 -.1156 999.9900 999.9900 999.9900 .4496 .1670 .7067 .6135 .6523 .4136 30 ASP 30 1.1359 -1.0010 999.9900 999.9900 .8104 .3151 .7059 .7040 .7048 .4710 31 VAL 31 .3707 999.9900 .9224 999.9900 .8960 .7297 .7066 .7058 .7061 .7203 32 ILE 32 .6852 -1.0628 999.9900 999.9900 .6034 .0753 .7068 .7064 .7065 .3278 33 ASN 33 1.1117 -2.0766 999.9900 999.9900 .7518 -.0710 .7063 .7023 .7040 .2391 34 VAL 34 -.2954 999.9900 .3968 999.9900 .7810 .2941 .7070 .7063 .7066 .4591 35 MET 35 .5476 -2.5481 999.9900 .9587 .5203 -.1304 .7064 .7038 .7049 .1481 36 LEU 36 -3.7702 -2.9612 999.9900 999.9900 .8331 -1.9661 .7056 .7031 .7042 -.8979 37 ASP 37 -3.3417 -1.7105 999.9900 999.9900 .7118 -1.4468 .7068 .7045 .7055 -.5858 38 ARG 38 -1.6049 -1.5080 999.9900 .1593 .6728 -.4243 .7059 .7026 .7040 -.1019 39 THR 39 -.0883 999.9900 1.0667 999.9900 .4476 .4753 .7067 .6598 .6793 .5585 40 PRO 40 .4197 999.9900 999.9900 999.9900 .4496 .4347 .7065 .6176 .6546 .5484 41 GLU 41 -.7635 -1.7714 999.9900 -1.0323 .6899 -.7193 .7063 .7032 .7045 -.2446 42 ILE 42 -.1408 -1.7901 999.9900 999.9900 1.0081 -.3076 .7065 .7060 .7062 .0979 43 VAL 43 .0764 999.9900 -1.0788 999.9900 .8778 -.0415 .7062 .7055 .7058 .2574 44 SER 44 -.5457 999.9900 1.0592 999.9900 .7781 .4305 .7068 .7030 .7045 .5403 45 ALA 45 -.5509 999.9900 999.9900 999.9900 .8416 .1454 .7067 .7055 .7060 .4257 46 THR 46 .5084 999.9900 .8779 999.9900 .4476 .6113 .7053 .7059 .7057 .6490 47 LEU 47 -2.5767 -.7461 999.9900 999.9900 .8331 -.8299 .7062 .6531 .6752 -.2261 48 PRO 48 .0120 999.9900 999.9900 999.9900 .4496 .2308 .7049 .6214 .6562 .4470 49 GLY 49 .1996 999.9900 999.9900 999.9900 .8277 .5136 .7066 .7051 .7058 .6097 50 PHE 50 -.0803 -.6014 999.9900 999.9900 .7573 .0252 .7063 .7029 .7043 .2970 51 GLN 51 -.5591 -1.7668 999.9900 1.3059 .7898 -.0576 .7067 .7023 .7042 .1965 52 ARG 52 -.4343 -2.0954 999.9900 .6901 .6728 -.0954 .7069 .7024 .7043 .1332 53 PHE 53 -.2255 -1.8165 999.9900 999.9900 .8629 -.3930 .7068 .7030 .7046 .0461 54 ARG 54 -.7228 -2.8571 999.9900 .1593 .8581 -.4806 .7054 .7032 .7041 -.1421 55 LEU 55 -3.3085 -3.3760 999.9900 999.9900 .8331 -1.9504 .7052 .7028 .7038 -.8887 56 LYS 56 -.6050 -2.4344 999.9900 .4778 .7460 -.2675 .7060 .7030 .7042 .0102 57 GLY 57 -3.4864 999.9900 999.9900 999.9900 .8277 -1.3294 .7065 .7057 .7061 -.3116 58 ARG 58 -1.4842 -1.8960 999.9900 .1593 .8581 -.4407 .7050 .7029 .7038 -.1136 59 LEU 59 -1.3650 -.0082 999.9900 999.9900 .9565 -.1389 .7055 .7029 .7040 .1984 60 TYR 60 .0868 -4.1972 999.9900 999.9900 .5630 -1.1825 .7068 .6485 .6728 -.4384 61 PRO 61 -2.3165 999.9900 999.9900 999.9900 .4496 -.9334 .7063 .6109 .6507 -.1374 62 CYS 62 -1.4460 999.9900 .1296 999.9900 .9108 -.1352 .7060 .7035 .7045 .2008 63 ILE 63 -.4396 -.0177 999.9900 999.9900 1.0081 .1836 .7062 .7053 .7057 .3924 64 VAL 64 -.8680 999.9900 -.2457 999.9900 .7810 -.1109 .7068 .6604 .6797 .2069 65 PRO 65 .0120 999.9900 999.9900 999.9900 .6931 .3525 .7065 .6076 .6488 .5048 66 SER 66 .2241 999.9900 -.7153 999.9900 .6705 .0598 .7064 .7033 .7046 .3178 67 GLU 67 .3258 .4864 999.9900 .3501 .6899 .4630 .7061 .7027 .7041 .5435 68 LYS 68 -3.5196 -2.4344 999.9900 -.4035 .8827 -1.1757 .7064 .7022 .7040 -.6385 69 GLY 69 -1.0150 999.9900 999.9900 999.9900 .8277 -.0936 .7064 .7047 .7055 .3060 70 GLU 70 -.9196 -1.6501 999.9900 -1.0323 .6899 -.7280 .7065 .7021 .7040 -.2506 71 VAL 71 .4077 999.9900 .6672 999.9900 .7810 .6186 .7070 .7060 .7064 .6538 72 HIS 72 -.7615 -1.5062 999.9900 999.9900 .6686 -.5330 .7056 .7037 .7045 -.0380 73 GLY 73 -2.9723 999.9900 999.9900 999.9900 .7883 -1.0920 .7061 .7055 .7058 -.1931 74 LYS 74 -.3223 .1621 999.9900 -.4035 .8827 -.0169 .7069 .7022 .7042 .1892 75 VAL 75 .3372 999.9900 -1.0788 999.9900 .7810 .0132 .7062 .7060 .7061 .2903 76 LEU 76 -1.0430 -1.3209 999.9900 999.9900 .8331 -.5103 .7058 .7028 .7040 -.0244 77 MET 77 -.3815 -.6706 999.9900 .9587 .5203 .1067 .7065 .7029 .7044 .3061 78 GLY 78 -.3903 999.9900 999.9900 999.9900 .7883 .1990 .7070 .7051 .7060 .4525 79 VAL 79 -.6396 999.9900 -.5532 999.9900 .7810 -.1372 .7069 .7053 .7059 .2001 80 THR 80 -.3368 999.9900 -.8810 999.9900 .7246 -.1644 .7068 .7061 .7064 .1839 81 SER 81 .8760 999.9900 -.7153 999.9900 .6705 .2770 .7062 .7032 .7044 .4481 82 ASP 82 .6354 .7430 999.9900 999.9900 .8104 .7296 .7049 .7046 .7047 .7197 83 GLU 83 .6116 -1.9198 999.9900 -1.0323 .6899 -.4126 .7058 .7030 .7042 -.0403 84 LEU 84 .2355 -.3539 999.9900 999.9900 .9565 .2794 .7061 .7034 .7045 .4495 85 GLU 85 .6833 -.2810 999.9900 -1.0323 .6899 .0149 .7059 .7029 .7041 .2448 86 ASN 86 .9310 -1.4522 999.9900 999.9900 .7518 .0769 .7067 .7028 .7044 .3280 87 LEU 87 .6296 -.9564 999.9900 999.9900 .8331 .1687 .7064 .7022 .7040 .3830 88 ASP 88 .8349 -.7152 999.9900 999.9900 .8104 .3100 .7071 .7036 .7051 .4682 89 ALA 89 -.5981 999.9900 999.9900 999.9900 .7458 .0739 .7066 .7047 .7055 .3898 90 VAL 90 .2188 999.9900 .3968 999.9900 .7810 .4655 .7056 .7064 .7061 .5617 91 GLU 91 -.1289 -2.3808 999.9900 .3501 .6899 -.3674 .7060 .7034 .7044 -.0101 92 GLY 92 -.3460 999.9900 999.9900 999.9900 .8277 .2408 .7051 .7060 .7056 .4732 93 ASN 93 .1528 -1.8756 999.9900 999.9900 .7518 -.3236 .7049 .7027 .7036 .0873 94 GLU 94 -3.2255 -2.1111 999.9900 .3501 .3568 -1.1575 .7058 .7029 .7041 -.5368 95 TYR 95 -.2656 .3565 999.9900 999.9900 .5630 .2180 .7066 .7023 .7041 .4125 96 GLU 96 -.3633 -.7564 999.9900 -1.0323 .6899 -.3655 .7063 .7031 .7044 -.0088 97 ARG 97 -.8053 .4387 999.9900 .1593 .8581 .1620 .7064 .7032 .7046 .3171 98 VAL 98 -.3637 999.9900 -1.0788 999.9900 .7810 -.2205 .7062 .7054 .7058 .1500 99 THR 99 .0466 999.9900 -.8810 999.9900 .4476 -.1289 .7064 .7061 .7062 .2051 100 VAL 100 -.3548 999.9900 -1.0788 999.9900 .7810 -.2175 .7064 .7066 .7065 .1521 101 GLY 101 -1.6434 999.9900 999.9900 999.9900 .7883 -.4276 .7070 .7041 .7054 .1390 102 ILE 102 -.4396 -2.2551 999.9900 999.9900 1.0081 -.5622 .7070 .7057 .7062 -.0548 103 VAL 103 -.0463 999.9900 .6672 999.9900 .7810 .4673 .7070 .7063 .7066 .5630 104 ARG 104 -1.0672 -1.8960 999.9900 .1593 .6728 -.3944 .7070 .7033 .7048 -.0802 105 GLU 105 .0468 -1.1358 999.9900 -1.0323 .6899 -.3579 .7061 .7033 .7045 -.0037 106 ASP 106 -1.1493 -.5463 999.9900 999.9900 .7118 -.3280 .7062 .7035 .7046 .0852 107 ASN 107 -.4092 -1.7113 999.9900 999.9900 .6279 -.4975 .7069 .7024 .7043 -.0167 108 SER 108 -2.3021 999.9900 -.7153 999.9900 .6705 -.7823 .7066 .7036 .7049 -.1873 109 GLU 109 -.3484 -.9574 999.9900 .3501 .6899 -.0664 .7069 .7025 .7043 .1906 110 LYS 110 -.2683 -2.9005 999.9900 .6133 .8827 -.2119 .7069 .7030 .7046 .0501 111 MET 111 -.5247 -2.5481 999.9900 .9587 .4206 -.4234 .7068 .7031 .7046 -.0473 112 ALA 112 -.9131 999.9900 999.9900 999.9900 .7458 -.0837 .7069 .7054 .7060 .3112 113 VAL 113 -.7132 999.9900 -.5532 999.9900 .8960 -.1234 .7067 .7052 .7058 .2083 114 LYS 114 -.7069 -.2432 999.9900 -.4035 .7460 -.2022 .7062 .7028 .7042 .0569 115 THR 115 -.8088 999.9900 -.8810 999.9900 .4476 -.4141 .7063 .7063 .7063 .0341 116 TYR 116 .0500 -1.4327 999.9900 999.9900 .5630 -.2732 .7069 .7031 .7047 .1181 117 MET 117 -.8637 -2.0676 999.9900 .9587 .5203 -.3631 .7057 .7037 .7045 -.0071 118 TRP 118 -.2452 -3.3859 999.9900 999.9900 .9378 -.8978 .7063 .7041 .7050 -.2566 119 ILE 119 .6852 -1.4972 999.9900 999.9900 1.0081 .0654 .7060 .7060 .7060 .3216 120 ASN 120 .7786 .1429 999.9900 999.9900 .8079 .5765 .7065 .7023 .7040 .6276 121 LYS 121 -2.0221 1.1188 999.9900 -.0397 .8827 -.0200 .7069 .7033 .7048 .1872 122 ALA 122 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .7065 .7054 .7059 -.3267 123 ASP 123 -3.3417 -1.6521 999.9900 999.9900 .8104 -1.3945 .7061 .6588 .6785 -.5637 124 PRO 124 -.1497 999.9900 999.9900 999.9900 .4496 .1500 .7062 .6115 .6509 .4044 125 ASP 125 -3.3417 -2.4630 999.9900 999.9900 .8104 -1.6648 .7060 .7037 .7047 -.7169 126 MET 126 -2.6662 -.9517 999.9900 .9587 .5203 -.5347 .7069 .7028 .7045 -.1215 127 PHE 127 -1.8235 -1.6624 999.9900 999.9900 .7573 -.9095 .7057 .7034 .7044 -.2639 128 GLY 128 -.7504 999.9900 999.9900 999.9900 .7883 .0189 .7067 .7040 .7052 .3621 129 GLU 129 -.4615 -.7564 999.9900 .3501 .6899 -.0445 .7064 .7033 .7046 .2053 130 TRP 130 -.8485 -3.3859 999.9900 999.9900 .9378 -1.0989 .7063 .7036 .7047 -.3773 131 ASN 131 1.1117 -.7217 999.9900 999.9900 .7518 .3806 .7063 .7031 .7044 .5103 132 PHE 132 .6090 -4.3038 999.9900 999.9900 .7573 -.9792 .7067 .7035 .7048 -.3055 133 GLU 133 .8733 -2.3808 999.9900 -1.0323 .3568 -.5458 .7066 .7040 .7050 -.1288 134 GLU 134 .1025 -1.9198 999.9900 .3501 .6899 -.1943 .7059 .7034 .7045 .1053 135 TRP 135 .6390 -.3628 999.9900 999.9900 .9378 .4047 .7062 .7034 .7045 .5247 136 LYS 136 .7090 -2.9005 999.9900 -.4035 .7460 -.4505 .7069 .7027 .7045 -.1204 137 ARG 137 .8469 -2.8571 999.9900 .1593 .8581 -.1667 .7053 .7024 .7036 .0820 138 LEU 138 -.7230 -1.1113 999.9900 999.9900 .8331 -.3337 .7066 .7034 .7047 .0818 139 HIS 139 .1079 .0958 999.9900 999.9900 .6686 .2908 .7060 .7036 .7046 .4564 140 LYS 140 .9480 -.1697 999.9900 .3240 .8827 .4618 .7061 .7020 .7037 .5310 141 LYS 141 -.1232 -1.5918 999.9900 -.4035 .8827 -.3279 .7069 .7024 .7043 -.0329 142 LYS 142 .9451 -1.5918 999.9900 -.4035 .7460 -.1415 .7065 .7030 .7045 .1003 143 PHE 143 -.0639 -3.3183 999.9900 999.9900 .7573 -.8750 .7060 .7039 .7047 -.2430 144 ILE 144 .0556 -.0177 999.9900 999.9900 .6034 .2137 .7066 .7057 .7061 .4107 145 GLU 145 -.1187 -2.3808 999.9900 -1.0323 .6899 -.7105 .7065 .7021 .7040 -.2389 146 THR 146 -.3004 999.9900 .4804 999.9900 .4476 .2092 .7065 .7059 .7062 .4080 147 PHE 147 .7405 -4.3038 999.9900 999.9900 .7573 -.9353 .7060 .7021 .7037 -.2796 148 LYS 148 .9451 -1.4228 999.9900 -.0770 .8827 .0502 .7065 .7027 .7043 .2372 149 LYS 149 .6780 -1.2293 999.9900 -.4035 .8827 -.0951 .7068 .7028 .7044 .1334 150 ILE 150 .2963 .8237 999.9900 999.9900 1.0081 .7094 .7065 .7062 .7063 .7082 151 MET 151 .1044 .4987 999.9900 .9587 .5203 .5205 .7059 .7036 .7046 .5819 152 GLU 152 .6116 -2.1111 999.9900 -1.0323 .3568 -.5438 .7064 .7035 .7047 -.1275 153 CYS 153 1.0802 999.9900 .1296 999.9900 .9108 .7069 .7063 .7033 .7045 .7060 154 LYS 154 -.2512 -1.0793 999.9900 -.4035 .8827 -.2510 .7066 .7026 .7043 .0221 155 LYS 155 -3.5196 -2.1617 999.9900 -.4035 .8827 -1.1211 .7069 .7022 .7041 -.5995 156 LYS 156 -2.1024 -1.9682 999.9900 -.4035 .8827 -.7990 .7067 .6585 .6786 -.3757 157 PRO 157 -3.0630 999.9900 999.9900 999.9900 .4496 -1.3067 .7065 .6142 .6527 -.3232 158 GLN 158 -3.1236 -2.2325 999.9900 1.3059 .5113 -.8847 .7049 .7031 .7038 -.3552 159 GLY 159 -1.0699 999.9900 999.9900 999.9900 .8277 -.1211 .7068 .7044 .7055 .2922 160 GLN 160 -3.1236 -2.2325 999.9900 1.3059 .5113 -.8847 .7061 .7027 .7042 -.3550 161 GLY 161 -3.4864 999.9900 999.9900 999.9900 .8277 -1.3294 .7065 .7052 .7058 -.3118 162 ASN 162 -.6274 -2.7010 999.9900 999.9900 .8079 -.8402 .7067 .7038 .7050 -.2220 163 ASP 163 -1.5212 -2.1980 999.9900 999.9900 .8104 -.9696 .7068 .7043 .7053 -.2995 164 ASP 164 -1.5723 -1.4116 999.9900 999.9900 .8104 -.7245 .7067 .7034 .7048 -.1527 165 ILE 165 -4.2337 .1020 999.9900 999.9900 .6034 -1.1761 .7068 .7061 .7064 -.4231 166 SER 166 .2130 999.9900 -.7153 999.9900 .6705 .0561 .7069 .7020 .7041 .3154 167 HIS 167 -2.5191 -3.1083 999.9900 999.9900 .6686 -1.6529 .7057 .7037 .7045 -.7099 168 VAL 168 -2.6451 999.9900 -.2457 999.9900 .7810 -.7033 .7067 .7053 .7059 -.1396 169 LEU 169 -2.6981 -3.3760 999.9900 999.9900 .9565 -1.7059 .7061 .7025 .7040 -.7418 170 ARG 170 -.2757 -1.1343 999.9900 .1593 .6728 -.0837 .7068 .7025 .7043 .1415 171 GLU 171 -2.1524 -.7564 999.9900 1.1588 .6899 -.2650 .7061 .7029 .7042 .0581 172 ASP 172 -1.2751 -.6654 999.9900 999.9900 .7118 -.4096 .7071 .7041 .7053 .0365 173 GLN 173 999.9900 -1.0287 999.9900 1.3059 999.9900 .1386 .7066 .7016 .7037 .4213 Means: -.7638 -1.5570 -.1664 .0621 .7332 -.3301 .7063 .6981 .7015 .0607 2.00 analyzed_16