REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2qmv_1_A DATA FIRST_RESID 207 DATA SEQUENCE ESADLRALAK HLYDSYIKSF PLTKAKARAI LTGKTTDKSP FVIYDMNSLM DATA SEQUENCE MGEDKIKFKH ITPLQEQSKE VAIRIFQGCQ FRSVEAVQEI TEYAKSIPGF DATA SEQUENCE VNLDLNDQVT LLKYGVHEII YTMLASLMNK DGVLISEGQG FMTREFLKSL DATA SEQUENCE RKPFGDFMEP KFEFAVKFNA LELDDSDLAI FIAVIILSGD RPGLLNVKPI DATA SEQUENCE EDIQDNLLQA LELQLKLNHP ESSQLFAKLL QKMTDLRQIV TEHVQLLQVI DATA SEQUENCE KKTETDMSLH PLLQEIYKDL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 207 E HA 0.000 4.339 4.350 -0.018 0.000 0.291 207 E C 0.000 176.592 176.600 -0.014 0.000 1.382 207 E CA 0.000 56.391 56.400 -0.015 0.000 0.976 207 E CB 0.000 29.691 29.700 -0.015 0.000 0.812 208 S N 2.237 117.930 115.700 -0.011 0.000 2.445 208 S HA -0.508 3.957 4.470 -0.008 0.000 0.293 208 S C 1.550 176.146 174.600 -0.008 0.000 1.163 208 S CA 2.771 60.966 58.200 -0.008 0.000 1.287 208 S CB -0.501 62.695 63.200 -0.006 0.000 1.234 208 S HN 0.332 8.635 8.310 -0.011 0.000 0.446 209 A N 1.917 124.732 122.820 -0.009 0.000 2.670 209 A HA -0.416 3.898 4.320 -0.010 0.000 0.276 209 A C 1.833 179.411 177.584 -0.010 0.000 1.338 209 A CA 2.759 54.789 52.037 -0.011 0.000 1.103 209 A CB -1.020 17.973 19.000 -0.013 0.000 0.491 209 A HN 0.227 8.372 8.150 -0.009 0.000 0.413 210 D N -0.477 119.916 120.400 -0.012 0.000 2.354 210 D HA 0.055 4.730 4.640 -0.008 -0.040 0.209 210 D C 1.824 178.123 176.300 -0.000 0.000 1.015 210 D CA 1.569 55.564 54.000 -0.008 0.000 0.867 210 D CB 0.273 41.065 40.800 -0.012 0.000 0.933 210 D HN 0.059 8.420 8.370 -0.015 0.000 0.520 211 L N 1.450 122.668 121.223 -0.008 0.000 1.934 211 L HA -0.347 3.982 4.340 -0.018 0.000 0.227 211 L C 1.762 178.630 176.870 -0.004 0.000 1.084 211 L CA 3.614 58.447 54.840 -0.013 0.000 0.790 211 L CB -0.464 41.584 42.059 -0.019 0.000 0.896 211 L HN -0.154 7.968 8.230 -0.012 0.101 0.437 212 R N -3.057 117.442 120.500 -0.002 0.000 2.276 212 R HA -0.115 4.224 4.340 -0.002 0.000 0.196 212 R C 2.381 178.696 176.300 0.026 0.000 0.961 212 R CA 0.712 56.814 56.100 0.004 0.000 1.024 212 R CB -0.678 29.619 30.300 -0.004 0.000 0.940 212 R HN -0.547 7.721 8.270 -0.005 0.000 0.480 213 A N 0.751 123.586 122.820 0.025 0.000 1.832 213 A HA -0.222 4.126 4.320 0.046 0.000 0.214 213 A C 1.054 178.683 177.584 0.075 0.000 1.204 213 A CA 2.959 55.018 52.037 0.037 0.000 0.606 213 A CB -0.412 18.594 19.000 0.009 0.000 0.849 213 A HN -0.438 7.614 8.150 0.013 0.106 0.445 214 L N -0.350 120.908 121.223 0.058 0.000 1.989 214 L HA -0.377 4.035 4.340 0.120 0.000 0.211 214 L C 1.605 178.576 176.870 0.169 0.000 1.071 214 L CA 2.993 57.897 54.840 0.105 0.000 0.749 214 L CB -0.467 41.626 42.059 0.057 0.000 0.890 214 L HN -0.326 7.762 8.230 0.028 0.159 0.431 215 A N -2.047 120.837 122.820 0.107 0.000 1.870 215 A HA -0.532 3.862 4.320 0.123 0.000 0.219 215 A C 1.336 179.011 177.584 0.151 0.000 1.224 215 A CA 3.590 55.690 52.037 0.105 0.000 0.650 215 A CB -1.084 17.936 19.000 0.034 0.000 0.836 215 A HN -0.445 7.745 8.150 0.066 0.000 0.454 216 K N -3.117 117.357 120.400 0.123 0.000 2.218 216 K HA -0.368 4.029 4.320 0.129 0.000 0.205 216 K C 1.890 178.608 176.600 0.196 0.000 1.046 216 K CA 2.647 59.017 56.287 0.140 0.000 0.933 216 K CB -0.375 32.184 32.500 0.098 0.000 0.728 216 K HN -0.411 7.893 8.250 0.090 0.000 0.454 217 H N 0.340 119.480 119.070 0.116 0.000 2.266 217 H HA -0.202 4.419 4.556 0.109 0.000 0.308 217 H C 1.976 177.418 175.328 0.191 0.000 1.057 217 H CA 3.545 59.670 56.048 0.128 0.000 1.330 217 H CB 0.448 30.273 29.762 0.104 0.000 1.400 217 H HN -0.328 7.954 8.280 0.286 0.170 0.503 218 L N -0.804 120.614 121.223 0.325 0.000 2.030 218 L HA -0.481 4.202 4.340 0.572 0.000 0.222 218 L C 2.617 179.625 176.870 0.230 0.000 1.082 218 L CA 4.149 59.225 54.840 0.392 0.000 0.785 218 L CB -0.780 41.476 42.059 0.328 0.000 0.895 218 L HN 0.624 8.958 8.230 0.358 0.110 0.439 219 Y N -2.041 118.303 120.300 0.073 0.000 2.352 219 Y HA -0.414 4.243 4.550 0.178 0.000 0.292 219 Y C 1.761 177.616 175.900 -0.075 0.000 1.136 219 Y CA 3.329 61.462 58.100 0.055 0.000 1.227 219 Y CB -0.262 38.243 38.460 0.075 0.000 0.991 219 Y HN 0.396 8.911 8.280 0.370 -0.013 0.545 220 D N -0.801 119.621 120.400 0.036 0.000 2.096 220 D HA -0.343 4.281 4.640 -0.027 0.000 0.200 220 D C 2.384 178.560 176.300 -0.207 0.000 0.980 220 D CA 4.069 58.023 54.000 -0.075 0.000 0.860 220 D CB -0.263 40.490 40.800 -0.078 0.000 1.005 220 D HN -0.513 7.680 8.370 0.115 0.245 0.449 221 S N -0.467 115.091 115.700 -0.236 0.000 2.420 221 S HA -0.396 3.994 4.470 -0.133 0.000 0.237 221 S C 1.963 176.388 174.600 -0.292 0.000 1.023 221 S CA 3.448 61.558 58.200 -0.150 0.000 0.991 221 S CB -0.135 63.079 63.200 0.023 0.000 0.792 221 S HN -0.197 7.927 8.310 -0.310 0.000 0.488 222 Y N 3.959 123.638 120.300 -1.035 0.000 2.153 222 Y HA -0.238 3.322 4.550 -1.650 0.000 0.289 222 Y C 1.461 176.941 175.900 -0.700 0.000 1.127 222 Y CA 2.360 59.550 58.100 -1.515 0.000 1.131 222 Y CB 0.084 37.434 38.460 -1.850 0.000 0.995 222 Y HN -0.743 7.037 8.280 -0.646 0.113 0.505 223 I N -2.469 117.637 120.570 -0.773 0.000 2.953 223 I HA -0.310 3.290 4.170 -0.949 0.000 0.271 223 I C 0.835 176.701 176.117 -0.419 0.000 1.286 223 I CA 0.956 61.834 61.300 -0.703 0.000 1.449 223 I CB -0.999 36.680 38.000 -0.534 0.000 1.086 223 I HN 0.780 8.467 8.210 -0.620 0.150 0.483 224 K N -1.984 118.218 120.400 -0.330 0.000 2.262 224 K HA 0.041 4.262 4.320 -0.165 0.000 0.200 224 K C 0.893 177.412 176.600 -0.135 0.000 1.058 224 K CA 0.911 57.087 56.287 -0.185 0.000 0.974 224 K CB 0.183 32.608 32.500 -0.125 0.000 0.910 224 K HN -0.738 7.153 8.250 -0.366 0.139 0.484 225 S N 0.584 116.212 115.700 -0.120 0.000 2.374 225 S HA -0.204 4.267 4.470 0.001 0.000 0.207 225 S C 0.677 175.300 174.600 0.038 0.000 1.042 225 S CA 2.422 60.621 58.200 -0.001 0.000 1.034 225 S CB 0.496 63.784 63.200 0.148 0.000 1.018 225 S HN -0.453 7.669 8.310 -0.174 0.084 0.419 226 F N 1.665 121.480 119.950 -0.226 0.000 2.375 226 F HA 0.356 4.772 4.527 -0.186 0.000 0.361 226 F C -1.741 173.765 175.800 -0.489 0.000 1.117 226 F CA -4.141 53.711 58.000 -0.246 0.000 1.037 226 F CB 0.920 39.875 39.000 -0.075 0.000 1.192 226 F HN -0.560 7.755 8.300 0.025 0.000 0.452 227 P HA -0.026 4.015 4.420 -0.632 0.000 0.225 227 P C -1.132 175.791 177.300 -0.628 0.000 1.156 227 P CA 0.191 62.979 63.100 -0.521 0.000 0.787 227 P CB 0.567 32.089 31.700 -0.297 0.000 0.802 228 L N -0.207 120.434 121.223 -0.969 0.000 2.698 228 L HA -0.168 3.860 4.340 -0.519 0.000 0.272 228 L C -0.372 176.104 176.870 -0.656 0.000 1.154 228 L CA 1.739 56.020 54.840 -0.932 0.000 0.964 228 L CB -0.623 40.585 42.059 -1.418 0.000 1.272 228 L HN -0.342 7.107 8.230 -1.258 0.026 0.483 229 T N -0.905 113.456 114.554 -0.321 0.000 2.716 229 T HA 0.373 4.685 4.350 -0.065 0.000 0.286 229 T C -0.157 174.518 174.700 -0.041 0.000 1.052 229 T CA -1.919 60.110 62.100 -0.119 0.000 1.024 229 T CB 2.586 71.411 68.868 -0.072 0.000 1.349 229 T HN -0.776 7.306 8.240 -0.264 0.000 0.525 230 K N 0.504 120.922 120.400 0.030 0.000 2.209 230 K HA -0.274 4.060 4.320 0.023 0.000 0.204 230 K C 2.105 178.716 176.600 0.019 0.000 1.048 230 K CA 3.849 60.156 56.287 0.032 0.000 0.940 230 K CB -0.121 32.411 32.500 0.053 0.000 0.729 230 K HN 0.340 8.764 8.250 0.076 -0.128 0.451 231 A N -2.833 120.002 122.820 0.025 0.000 2.067 231 A HA -0.061 4.271 4.320 0.021 0.000 0.217 231 A C 0.594 178.172 177.584 -0.009 0.000 1.156 231 A CA 2.290 54.339 52.037 0.019 0.000 0.683 231 A CB -0.391 18.638 19.000 0.047 0.000 0.808 231 A HN -0.675 7.856 8.150 0.041 -0.356 0.455 232 K N -4.083 116.294 120.400 -0.039 0.000 2.276 232 K HA 0.036 4.333 4.320 -0.039 0.000 0.198 232 K C 1.515 178.090 176.600 -0.041 0.000 1.052 232 K CA 1.612 57.864 56.287 -0.057 0.000 0.984 232 K CB 0.993 33.423 32.500 -0.117 0.000 0.836 232 K HN -0.733 7.322 8.250 -0.050 0.165 0.490 233 A N 0.835 123.630 122.820 -0.042 0.000 1.854 233 A HA -0.180 4.131 4.320 -0.015 0.000 0.214 233 A C 1.663 179.236 177.584 -0.017 0.000 1.192 233 A CA 3.173 55.197 52.037 -0.022 0.000 0.611 233 A CB -0.432 18.561 19.000 -0.012 0.000 0.832 233 A HN 1.233 9.209 8.150 -0.048 0.145 0.442 234 R N -2.678 117.815 120.500 -0.011 0.000 2.307 234 R HA -0.212 4.114 4.340 -0.023 0.000 0.199 234 R C 1.638 177.931 176.300 -0.011 0.000 1.000 234 R CA 0.783 56.875 56.100 -0.012 0.000 1.023 234 R CB -1.107 29.192 30.300 -0.002 0.000 0.908 234 R HN 0.004 8.142 8.270 -0.006 0.128 0.473 235 A N -0.087 122.728 122.820 -0.008 0.000 1.843 235 A HA -0.017 4.294 4.320 -0.002 0.007 0.213 235 A C 2.420 180.005 177.584 0.002 0.000 1.239 235 A CA 2.199 54.234 52.037 -0.003 0.000 0.606 235 A CB -0.464 18.533 19.000 -0.005 0.000 0.903 235 A HN -0.139 7.900 8.150 -0.011 0.104 0.455 236 I N -3.752 116.823 120.570 0.009 0.000 2.226 236 I HA -0.507 3.683 4.170 0.034 0.000 0.245 236 I C 1.642 177.771 176.117 0.020 0.000 1.100 236 I CA 3.237 64.555 61.300 0.031 0.000 1.374 236 I CB -0.340 37.694 38.000 0.058 0.000 1.057 236 I HN -0.436 7.777 8.210 0.005 0.000 0.413 237 L N -3.154 118.061 121.223 -0.014 0.000 2.197 237 L HA -0.363 3.913 4.340 -0.107 0.000 0.215 237 L C 1.570 178.408 176.870 -0.053 0.000 1.095 237 L CA 2.814 57.611 54.840 -0.072 0.000 0.764 237 L CB -0.032 41.964 42.059 -0.104 0.000 0.897 237 L HN -0.099 8.122 8.230 -0.014 0.000 0.436 238 T N -6.754 107.787 114.554 -0.023 0.000 3.408 238 T HA 0.024 4.371 4.350 -0.006 0.000 0.274 238 T C 0.026 174.724 174.700 -0.003 0.000 0.839 238 T CA 0.359 62.451 62.100 -0.013 0.000 0.881 238 T CB 0.870 69.723 68.868 -0.025 0.000 1.210 238 T HN -0.402 7.668 8.240 -0.014 0.162 0.644 239 G N 3.168 111.966 108.800 -0.003 0.000 3.458 239 G HA2 0.037 3.998 3.960 0.002 0.000 0.256 239 G HA3 0.037 3.899 3.960 -0.000 0.098 0.256 239 G C -1.660 173.243 174.900 0.005 0.000 0.938 239 G CA 0.205 45.306 45.100 0.001 0.000 1.890 239 G HN -0.337 7.903 8.290 -0.008 0.045 0.639 240 K N -1.845 118.561 120.400 0.010 0.000 6.089 240 K HA -0.012 4.315 4.320 0.011 0.000 0.816 240 K C -1.169 175.446 176.600 0.024 0.000 0.884 240 K CA -0.387 55.908 56.287 0.014 0.000 1.102 240 K CB -0.087 32.420 32.500 0.012 0.000 2.129 240 K HN -0.586 7.610 8.250 0.010 0.060 1.083 241 T N 0.957 115.529 114.554 0.030 0.000 3.852 241 T HA -0.373 4.002 4.350 0.043 0.000 0.361 241 T C -0.369 174.354 174.700 0.037 0.000 0.759 241 T CA 1.197 63.323 62.100 0.044 0.000 1.899 241 T CB -0.552 68.357 68.868 0.067 0.000 1.822 241 T HN 0.249 8.505 8.240 0.026 0.000 0.778 242 T N -1.536 113.033 114.554 0.026 0.000 6.387 242 T HA -0.365 3.995 4.350 0.016 0.000 0.290 242 T C -1.246 173.467 174.700 0.021 0.000 1.901 242 T CA 1.804 63.917 62.100 0.021 0.000 3.035 242 T CB -0.155 68.727 68.868 0.023 0.000 1.917 242 T HN -0.072 8.180 8.240 0.021 -0.000 1.121 243 D N -2.694 117.719 120.400 0.022 0.000 3.187 243 D HA -0.424 4.444 4.640 0.017 -0.218 0.244 243 D C -1.182 175.132 176.300 0.024 0.000 1.114 243 D CA 1.757 55.769 54.000 0.019 0.000 0.920 243 D CB -0.377 40.431 40.800 0.013 0.000 0.970 243 D HN 0.314 8.470 8.370 0.024 0.228 0.418 244 K N 0.291 120.711 120.400 0.033 0.000 3.130 244 K HA 0.092 4.432 4.320 0.033 0.000 0.201 244 K C -1.747 174.886 176.600 0.056 0.000 1.858 244 K CA 0.376 56.688 56.287 0.042 0.000 1.442 244 K CB 2.108 34.636 32.500 0.047 0.000 2.171 244 K HN -0.032 8.240 8.250 0.037 0.000 0.617 245 S N -2.231 113.515 115.700 0.077 0.000 2.787 245 S HA 0.069 4.675 4.470 0.064 -0.097 0.280 245 S C -2.965 171.738 174.600 0.172 0.000 0.889 245 S CA -0.720 57.548 58.200 0.113 0.000 0.926 245 S CB 0.901 64.196 63.200 0.159 0.000 1.167 245 S HN -0.672 7.683 8.310 0.075 0.000 0.471 246 P HA 0.135 4.687 4.420 0.221 0.000 0.276 246 P C -1.201 176.297 177.300 0.329 0.000 1.243 246 P CA -0.360 62.910 63.100 0.283 0.000 0.768 246 P CB 0.405 32.271 31.700 0.277 0.000 0.856 247 F N 6.169 126.185 119.950 0.109 0.000 1.922 247 F HA -0.382 4.152 4.527 0.012 0.000 0.231 247 F C -1.314 174.431 175.800 -0.092 0.000 1.116 247 F CA -0.291 57.722 58.000 0.023 0.000 0.593 247 F CB -0.895 38.113 39.000 0.013 0.000 0.529 247 F HN -0.332 8.173 8.300 0.342 0.000 0.519 248 V N 6.196 125.903 119.914 -0.345 0.000 2.720 248 V HA -0.253 2.782 4.120 -1.829 -0.013 0.307 248 V C -0.377 175.087 176.094 -1.050 0.000 1.071 248 V CA 1.861 63.627 62.300 -0.891 0.000 1.199 248 V CB -0.183 31.448 31.823 -0.320 0.000 0.900 248 V HN -0.088 8.106 8.190 -0.021 -0.017 0.494 249 I N 6.626 126.494 120.570 -1.170 0.000 2.420 249 I HA 0.114 3.819 4.170 -0.775 0.000 0.282 249 I C -2.155 173.613 176.117 -0.581 0.000 1.019 249 I CA -0.815 59.995 61.300 -0.817 0.000 1.130 249 I CB 0.180 37.773 38.000 -0.678 0.000 1.262 249 I HN 0.159 7.451 8.210 -1.530 0.000 0.454 250 Y N 6.955 126.765 120.300 -0.817 0.000 2.974 250 Y HA -0.138 3.344 4.550 -1.780 0.000 0.347 250 Y C -2.525 173.061 175.900 -0.524 0.000 0.900 250 Y CA 1.081 58.638 58.100 -0.905 0.000 0.880 250 Y CB 1.836 40.022 38.460 -0.456 0.000 1.353 250 Y HN 0.840 8.789 8.280 -0.551 0.000 0.514 251 D N -0.862 119.205 120.400 -0.554 0.000 2.304 251 D HA 0.141 4.344 4.640 -0.728 0.000 0.247 251 D C 1.365 177.456 176.300 -0.348 0.000 1.089 251 D CA -1.215 52.494 54.000 -0.484 0.000 0.910 251 D CB 1.380 42.044 40.800 -0.226 0.000 1.199 251 D HN -0.443 7.718 8.370 -0.348 0.000 0.426 252 M N 1.913 121.340 119.600 -0.288 0.000 2.147 252 M HA -0.551 3.814 4.480 -0.191 0.000 0.253 252 M C 1.494 177.723 176.300 -0.118 0.000 1.075 252 M CA 4.717 59.909 55.300 -0.180 0.000 1.085 252 M CB -0.305 32.219 32.600 -0.127 0.000 1.305 252 M HN 0.534 8.640 8.290 -0.307 0.000 0.409 253 N N -1.817 116.827 118.700 -0.093 0.000 2.005 253 N HA -0.394 4.329 4.740 -0.029 0.000 0.199 253 N C 2.016 177.522 175.510 -0.007 0.000 1.054 253 N CA 3.960 56.987 53.050 -0.038 0.000 0.864 253 N CB -0.387 38.089 38.487 -0.019 0.000 1.063 253 N HN 0.025 8.375 8.380 -0.104 -0.032 0.428 254 S N 0.313 116.007 115.700 -0.010 0.000 2.343 254 S HA -0.393 4.266 4.470 0.317 0.000 0.219 254 S C 2.018 176.624 174.600 0.010 0.000 1.033 254 S CA 3.319 61.576 58.200 0.095 0.000 1.014 254 S CB 0.120 63.258 63.200 -0.102 0.000 0.915 254 S HN 0.253 9.043 8.310 -0.063 -0.518 0.435 255 L N 1.960 123.076 121.223 -0.179 0.000 2.064 255 L HA -0.456 3.746 4.340 -0.230 0.000 0.216 255 L C 1.874 178.719 176.870 -0.041 0.000 1.077 255 L CA 2.986 57.709 54.840 -0.196 0.000 0.766 255 L CB -0.137 41.733 42.059 -0.315 0.000 0.890 255 L HN 0.505 8.452 8.230 -0.274 0.118 0.435 256 M N -0.372 119.211 119.600 -0.029 0.000 2.074 256 M HA -0.359 4.229 4.480 0.012 -0.101 0.259 256 M C 2.186 178.507 176.300 0.036 0.000 1.079 256 M CA 2.578 57.882 55.300 0.007 0.000 1.119 256 M CB -0.043 32.556 32.600 -0.002 0.000 1.297 256 M HN 0.308 8.358 8.290 -0.053 0.209 0.416 257 M N -3.600 116.025 119.600 0.042 0.000 2.706 257 M HA -0.315 4.172 4.480 0.012 0.000 0.253 257 M C 2.217 178.554 176.300 0.063 0.000 1.063 257 M CA 2.994 58.311 55.300 0.029 0.000 1.067 257 M CB -0.816 31.780 32.600 -0.007 0.000 1.423 257 M HN 0.034 8.347 8.290 0.039 0.000 0.530 258 G N -0.504 108.369 108.800 0.122 0.000 2.726 258 G HA2 -0.094 3.989 3.960 0.206 0.000 0.221 258 G HA3 -0.094 4.019 3.960 0.216 -0.024 0.221 258 G C 0.277 175.231 174.900 0.089 0.000 1.327 258 G CA 0.832 46.034 45.100 0.170 0.000 0.884 258 G HN 0.206 8.410 8.290 0.095 0.144 0.581 259 E N 1.453 121.694 120.200 0.069 0.000 2.396 259 E HA -0.334 4.007 4.350 -0.016 0.000 0.200 259 E C 2.184 178.745 176.600 -0.064 0.000 1.023 259 E CA 2.939 59.337 56.400 -0.002 0.000 0.857 259 E CB -0.095 29.618 29.700 0.022 0.000 0.775 259 E HN -0.031 8.378 8.360 0.081 0.000 0.525 260 D N -1.599 118.812 120.400 0.020 0.000 2.414 260 D HA 0.008 4.691 4.640 0.072 0.000 0.237 260 D C 1.133 177.503 176.300 0.118 0.000 0.975 260 D CA 2.737 56.781 54.000 0.074 0.000 0.917 260 D CB 0.089 40.943 40.800 0.089 0.000 1.061 260 D HN -0.072 8.330 8.370 0.043 -0.006 0.480 261 K N -1.358 119.080 120.400 0.064 0.000 1.997 261 K HA -0.127 4.207 4.320 0.023 0.000 0.212 261 K C 2.158 178.780 176.600 0.036 0.000 1.033 261 K CA 1.411 57.713 56.287 0.025 0.000 0.950 261 K CB -0.632 31.842 32.500 -0.042 0.000 0.751 261 K HN -0.736 7.421 8.250 0.047 0.121 0.444 262 I N -4.599 115.990 120.570 0.032 0.000 2.290 262 I HA -0.392 3.794 4.170 0.026 0.000 0.253 262 I C 1.799 177.914 176.117 -0.003 0.000 1.112 262 I CA 2.843 64.163 61.300 0.034 0.000 1.377 262 I CB -0.331 37.725 38.000 0.092 0.000 1.060 262 I HN -0.404 7.830 8.210 0.041 0.000 0.428 263 K N -0.794 119.604 120.400 -0.004 0.000 2.139 263 K HA -0.111 4.150 4.320 -0.099 0.000 0.217 263 K C 0.510 177.156 176.600 0.077 0.000 1.025 263 K CA 0.406 56.650 56.287 -0.071 0.000 0.947 263 K CB 1.348 33.702 32.500 -0.243 0.000 0.897 263 K HN -0.575 7.655 8.250 0.012 0.027 0.457 264 F N -0.904 118.987 119.950 -0.098 0.000 2.071 264 F HA -0.480 4.114 4.527 0.093 -0.011 0.295 264 F C -1.543 174.315 175.800 0.097 0.000 0.388 264 F CA 1.398 59.415 58.000 0.029 0.000 0.855 264 F CB -0.044 38.954 39.000 -0.004 0.000 3.770 264 F HN -0.625 7.618 8.300 0.037 0.079 0.309 265 K N 2.183 121.913 120.400 -1.117 0.000 5.387 265 K HA -0.330 3.542 4.320 -0.747 0.000 0.360 265 K C -2.033 174.461 176.600 -0.177 0.000 0.847 265 K CA 1.279 57.102 56.287 -0.774 0.000 1.065 265 K CB -0.713 31.298 32.500 -0.814 0.000 1.922 265 K HN 0.116 7.211 8.250 -1.924 0.000 0.376 266 H N -0.215 118.692 119.070 -0.271 0.000 3.061 266 H HA 0.181 4.648 4.556 -0.149 0.000 0.210 266 H C -2.228 173.029 175.328 -0.120 0.000 1.326 266 H CA -1.063 54.891 56.048 -0.157 0.000 1.380 266 H CB -0.614 29.081 29.762 -0.111 0.000 2.147 266 H HN -0.159 7.990 8.280 -0.217 0.000 0.562 267 I N 3.510 123.918 120.570 -0.270 0.000 2.420 267 I HA 0.306 4.287 4.170 -0.316 0.000 0.282 267 I C -0.896 175.135 176.117 -0.144 0.000 1.019 267 I CA -0.315 60.832 61.300 -0.255 0.000 1.130 267 I CB -0.202 37.654 38.000 -0.239 0.000 1.262 267 I HN 0.091 8.180 8.210 -0.202 0.000 0.454 268 T N 7.913 122.399 114.554 -0.113 0.000 2.787 268 T HA 0.424 4.733 4.350 -0.068 0.000 0.297 268 T C -2.194 172.475 174.700 -0.052 0.000 1.221 268 T CA -2.148 59.910 62.100 -0.070 0.000 1.006 268 T CB 1.574 70.410 68.868 -0.052 0.000 1.328 268 T HN 0.092 8.257 8.240 -0.124 0.000 0.509 269 P HA 0.220 4.624 4.420 -0.027 0.000 0.238 269 P C -1.338 175.955 177.300 -0.013 0.000 1.714 269 P CA 0.000 63.086 63.100 -0.024 0.000 0.908 269 P CB -1.876 29.813 31.700 -0.018 0.000 1.893 270 L N -0.176 121.039 121.223 -0.013 0.000 2.338 270 L HA 0.072 4.417 4.340 0.009 0.000 0.202 270 L C 0.457 177.331 176.870 0.007 0.000 1.208 270 L CA -0.314 54.527 54.840 0.003 0.000 2.369 270 L CB -0.644 41.422 42.059 0.011 0.000 2.113 270 L HN -0.288 7.831 8.230 -0.025 0.095 1.047 271 Q N -2.176 117.630 119.800 0.011 0.000 0.767 271 Q HA -0.446 3.907 4.340 0.021 0.000 0.402 271 Q C 0.373 176.384 176.000 0.018 0.000 1.061 271 Q CA 1.023 56.834 55.803 0.014 0.000 0.363 271 Q CB -0.256 28.483 28.738 0.002 0.000 5.425 271 Q HN -0.313 7.965 8.270 0.014 0.000 0.406 272 E N -1.453 118.756 120.200 0.016 0.000 4.153 272 E HA -0.386 3.973 4.350 0.015 0.000 0.193 272 E C -0.509 176.105 176.600 0.024 0.000 1.249 272 E CA 2.400 58.811 56.400 0.017 0.000 2.292 272 E CB -0.808 28.900 29.700 0.014 0.000 1.844 272 E HN 0.387 8.755 8.360 0.014 0.000 0.356 273 Q N 0.118 119.934 119.800 0.028 0.000 4.082 273 Q HA 0.184 4.546 4.340 0.038 0.000 0.180 273 Q C -2.495 173.530 176.000 0.043 0.000 0.863 273 Q CA 0.139 55.964 55.803 0.035 0.000 0.772 273 Q CB 1.602 30.359 28.738 0.031 0.000 1.527 273 Q HN 0.030 8.278 8.270 0.026 0.038 0.441 274 S N 0.473 116.202 115.700 0.048 0.000 2.579 274 S HA 0.279 4.788 4.470 0.064 0.000 0.272 274 S C -0.894 173.745 174.600 0.065 0.000 1.141 274 S CA -1.334 56.901 58.200 0.057 0.000 0.843 274 S CB 2.025 65.254 63.200 0.047 0.000 1.122 274 S HN -0.430 7.908 8.310 0.046 0.000 0.468 275 K N 1.610 122.056 120.400 0.077 0.000 5.095 275 K HA -0.339 4.032 4.320 0.085 0.000 0.311 275 K C -1.114 175.526 176.600 0.067 0.000 0.785 275 K CA 0.987 57.318 56.287 0.073 0.000 0.935 275 K CB -2.159 30.378 32.500 0.062 0.000 1.912 275 K HN 0.363 8.665 8.250 0.086 0.000 0.396 276 E N 0.077 120.325 120.200 0.079 0.000 2.421 276 E HA -0.141 4.250 4.350 0.070 0.000 0.253 276 E C 0.812 177.446 176.600 0.056 0.000 1.277 276 E CA -0.837 55.609 56.400 0.076 0.000 0.968 276 E CB 1.123 30.884 29.700 0.100 0.000 1.040 276 E HN -0.431 7.989 8.360 0.100 0.000 0.512 277 V N -0.457 119.492 119.914 0.059 0.000 2.794 277 V HA -0.382 3.766 4.120 0.047 0.000 0.260 277 V C 1.614 177.707 176.094 -0.003 0.000 1.103 277 V CA 4.061 66.386 62.300 0.042 0.000 1.125 277 V CB -0.671 31.188 31.823 0.060 0.000 0.702 277 V HN 0.329 8.560 8.190 0.068 0.000 0.494 278 A N -0.421 122.412 122.820 0.020 0.000 1.843 278 A HA -0.140 4.157 4.320 -0.038 0.000 0.213 278 A C 1.938 179.430 177.584 -0.153 0.000 1.239 278 A CA 2.988 54.995 52.037 -0.049 0.000 0.606 278 A CB -0.635 18.430 19.000 0.109 0.000 0.903 278 A HN -0.188 7.939 8.150 0.067 0.063 0.455 279 I N -0.443 120.060 120.570 -0.113 0.000 2.231 279 I HA -0.505 3.644 4.170 -0.034 0.000 0.251 279 I C 2.298 178.341 176.117 -0.123 0.000 1.076 279 I CA 3.160 64.421 61.300 -0.065 0.000 1.347 279 I CB -0.458 37.566 38.000 0.041 0.000 1.038 279 I HN -0.133 8.062 8.210 -0.025 0.000 0.429 280 R N -2.370 118.080 120.500 -0.083 0.000 2.055 280 R HA -0.223 4.056 4.340 -0.102 0.000 0.226 280 R C 2.672 178.908 176.300 -0.107 0.000 1.135 280 R CA 3.359 59.407 56.100 -0.086 0.000 0.959 280 R CB -0.031 30.247 30.300 -0.037 0.000 0.854 280 R HN -0.568 7.654 8.270 -0.050 0.018 0.431 281 I N -0.303 120.197 120.570 -0.117 0.000 2.233 281 I HA -0.372 3.724 4.170 -0.123 0.000 0.243 281 I C 1.509 177.579 176.117 -0.077 0.000 1.093 281 I CA 3.718 64.929 61.300 -0.149 0.000 1.380 281 I CB 0.418 38.224 38.000 -0.323 0.000 1.067 281 I HN -0.431 7.659 8.210 -0.109 0.054 0.413 282 F N 0.922 120.695 119.950 -0.295 0.000 2.120 282 F HA -0.290 4.130 4.527 -0.178 0.000 0.300 282 F C 1.699 177.348 175.800 -0.251 0.000 1.095 282 F CA 2.674 60.444 58.000 -0.383 0.000 1.249 282 F CB -0.687 37.606 39.000 -1.178 0.000 0.995 282 F HN 0.726 8.813 8.300 -0.080 0.165 0.480 283 Q N -2.237 117.184 119.800 -0.631 0.000 2.119 283 Q HA -0.309 3.454 4.340 -0.961 0.000 0.201 283 Q C 2.558 178.419 176.000 -0.232 0.000 0.972 283 Q CA 2.571 58.010 55.803 -0.606 0.000 0.847 283 Q CB 0.135 28.621 28.738 -0.419 0.000 0.903 283 Q HN -0.583 7.322 8.270 -0.436 0.104 0.433 284 G N -1.039 107.693 108.800 -0.113 0.000 2.439 284 G HA2 -0.139 3.907 3.960 0.145 0.000 0.212 284 G HA3 -0.139 3.854 3.960 0.055 0.000 0.212 284 G C 0.519 175.494 174.900 0.125 0.000 1.199 284 G CA 1.386 46.523 45.100 0.062 0.000 0.807 284 G HN -0.430 7.675 8.290 -0.137 0.103 0.537 285 C N -1.039 118.303 119.300 0.070 0.000 2.409 285 C HA -0.393 4.145 4.460 0.130 0.000 0.288 285 C C 0.666 175.724 174.990 0.114 0.000 1.395 285 C CA 1.923 61.006 59.018 0.108 0.000 1.792 285 C CB -0.004 27.803 27.740 0.111 0.000 1.847 285 C HN 0.784 8.888 8.230 0.020 0.139 0.534 286 Q N -1.707 118.134 119.800 0.069 0.000 2.378 286 Q HA -0.094 4.324 4.340 0.130 0.000 0.229 286 Q C 2.129 178.184 176.000 0.092 0.000 0.882 286 Q CA 1.479 57.325 55.803 0.071 0.000 0.936 286 Q CB 0.390 29.122 28.738 -0.010 0.000 1.092 286 Q HN -0.681 7.507 8.270 0.015 0.091 0.535 287 F N 4.314 124.212 119.950 -0.086 0.000 2.091 287 F HA -0.404 4.062 4.527 -0.102 0.000 0.299 287 F C 1.024 176.783 175.800 -0.069 0.000 1.103 287 F CA 2.489 60.439 58.000 -0.082 0.000 1.228 287 F CB -0.457 38.503 39.000 -0.067 0.000 0.984 287 F HN -0.863 7.313 8.300 0.188 0.237 0.477 288 R N -2.811 117.574 120.500 -0.191 0.000 2.226 288 R HA -0.387 3.766 4.340 -0.592 -0.168 0.246 288 R C 3.155 179.271 176.300 -0.307 0.000 1.161 288 R CA 1.919 57.821 56.100 -0.330 0.000 0.997 288 R CB -1.542 28.701 30.300 -0.094 0.000 0.870 288 R HN -0.425 7.858 8.270 0.021 0.000 0.465 289 S N -0.975 114.624 115.700 -0.167 0.000 2.341 289 S HA -0.194 4.135 4.470 -0.235 0.000 0.216 289 S C 1.356 175.844 174.600 -0.186 0.000 1.034 289 S CA 3.087 61.185 58.200 -0.169 0.000 0.964 289 S CB 0.070 63.234 63.200 -0.059 0.000 0.882 289 S HN 0.110 8.184 8.310 -0.067 0.196 0.469 290 V N -0.423 119.434 119.914 -0.094 0.000 2.660 290 V HA -0.457 3.622 4.120 -0.068 0.000 0.257 290 V C 1.656 177.676 176.094 -0.123 0.000 1.088 290 V CA 3.485 65.753 62.300 -0.053 0.000 1.106 290 V CB -0.371 31.494 31.823 0.071 0.000 0.686 290 V HN -0.624 7.551 8.190 -0.024 0.000 0.481 291 E N 0.165 120.193 120.200 -0.285 0.000 2.014 291 E HA -0.232 3.970 4.350 -0.246 0.000 0.190 291 E C 2.464 178.855 176.600 -0.350 0.000 0.980 291 E CA 2.393 58.559 56.400 -0.390 0.000 0.807 291 E CB 0.108 29.355 29.700 -0.755 0.000 0.770 291 E HN 0.051 8.159 8.360 -0.359 0.036 0.451 292 A N 1.324 123.884 122.820 -0.434 0.000 1.906 292 A HA -0.462 3.553 4.320 -0.510 0.000 0.222 292 A C 1.991 179.428 177.584 -0.244 0.000 1.282 292 A CA 3.291 55.089 52.037 -0.397 0.000 0.675 292 A CB -0.810 17.970 19.000 -0.366 0.000 0.838 292 A HN -0.396 7.465 8.150 -0.482 0.000 0.469 293 V N -1.514 118.271 119.914 -0.216 0.000 2.277 293 V HA -0.592 3.434 4.120 -0.157 0.000 0.255 293 V C 2.163 178.187 176.094 -0.117 0.000 1.074 293 V CA 4.220 66.425 62.300 -0.159 0.000 1.058 293 V CB -0.736 30.997 31.823 -0.151 0.000 0.656 293 V HN -0.448 7.615 8.190 -0.236 -0.015 0.449 294 Q N -3.746 115.982 119.800 -0.121 0.000 2.230 294 Q HA -0.253 4.052 4.340 -0.058 0.000 0.202 294 Q C 2.475 178.423 176.000 -0.085 0.000 0.963 294 Q CA 2.776 58.529 55.803 -0.085 0.000 0.866 294 Q CB -0.575 28.120 28.738 -0.072 0.000 0.931 294 Q HN 0.575 8.652 8.270 -0.147 0.104 0.452 295 E N -0.069 120.054 120.200 -0.128 0.000 2.021 295 E HA -0.182 4.132 4.350 -0.060 0.000 0.189 295 E C 2.290 178.884 176.600 -0.010 0.000 0.980 295 E CA 1.497 57.845 56.400 -0.088 0.000 0.803 295 E CB -0.535 29.054 29.700 -0.186 0.000 0.766 295 E HN 0.055 8.045 8.360 -0.186 0.259 0.449 296 I N 0.937 121.486 120.570 -0.035 0.000 2.093 296 I HA -0.664 3.555 4.170 0.082 0.000 0.239 296 I C 1.981 178.025 176.117 -0.122 0.000 1.026 296 I CA 4.596 65.873 61.300 -0.039 0.000 1.295 296 I CB -0.517 37.421 38.000 -0.103 0.000 1.007 296 I HN 0.830 8.855 8.210 -0.093 0.129 0.401 297 T N 0.915 115.386 114.554 -0.139 0.000 2.565 297 T HA -0.583 3.556 4.350 -0.351 0.000 0.265 297 T C 2.093 176.715 174.700 -0.129 0.000 1.082 297 T CA 5.285 67.283 62.100 -0.171 0.000 1.173 297 T CB -0.368 68.475 68.868 -0.042 0.000 0.864 297 T HN -0.596 7.583 8.240 -0.102 0.000 0.425 298 E N -0.961 119.216 120.200 -0.037 0.000 2.253 298 E HA -0.380 3.968 4.350 -0.004 0.000 0.202 298 E C 1.025 177.660 176.600 0.058 0.000 1.014 298 E CA 2.980 59.383 56.400 0.005 0.000 0.823 298 E CB 0.076 29.782 29.700 0.010 0.000 0.736 298 E HN -0.412 7.929 8.360 -0.032 0.000 0.478 299 Y N -2.885 117.350 120.300 -0.108 0.000 2.558 299 Y HA -0.016 4.573 4.550 -0.086 -0.091 0.273 299 Y C -0.355 175.428 175.900 -0.194 0.000 1.100 299 Y CA -0.542 57.502 58.100 -0.093 0.000 1.276 299 Y CB 1.534 40.010 38.460 0.027 0.000 1.196 299 Y HN -0.154 7.983 8.280 0.084 0.194 0.527 300 A N 0.755 123.274 122.820 -0.503 0.000 1.845 300 A HA -0.383 3.359 4.320 -0.964 0.000 0.215 300 A C 1.802 178.832 177.584 -0.924 0.000 1.195 300 A CA 3.310 54.775 52.037 -0.954 0.000 0.616 300 A CB -0.509 17.753 19.000 -1.230 0.000 0.832 300 A HN 1.113 8.792 8.150 -0.355 0.257 0.443 301 K N -4.047 115.914 120.400 -0.733 0.000 2.589 301 K HA -0.281 4.051 4.320 0.020 0.000 0.195 301 K C 1.453 178.042 176.600 -0.018 0.000 1.042 301 K CA 2.038 58.206 56.287 -0.199 0.000 0.940 301 K CB -0.583 31.924 32.500 0.011 0.000 0.776 301 K HN 0.205 7.971 8.250 -0.613 0.116 0.487 302 S N -0.692 114.971 115.700 -0.062 0.000 2.387 302 S HA -0.158 4.398 4.470 0.143 0.000 0.226 302 S C 0.839 175.604 174.600 0.275 0.000 1.026 302 S CA 1.949 60.217 58.200 0.113 0.000 0.972 302 S CB 0.582 63.835 63.200 0.088 0.000 0.814 302 S HN -0.506 7.491 8.310 -0.203 0.191 0.477 303 I N 3.699 124.340 120.570 0.118 0.000 2.741 303 I HA -0.104 4.184 4.170 0.196 0.000 0.288 303 I C -0.805 175.406 176.117 0.157 0.000 1.192 303 I CA -0.306 61.083 61.300 0.148 0.000 1.426 303 I CB -0.566 37.486 38.000 0.087 0.000 1.367 303 I HN 0.178 8.254 8.210 -0.062 0.098 0.563 304 P HA 0.009 4.473 4.420 0.074 0.000 0.249 304 P C -1.313 176.022 177.300 0.057 0.000 1.686 304 P CA 0.042 63.173 63.100 0.052 0.000 0.873 304 P CB -1.984 29.700 31.700 -0.027 0.000 1.828 305 G N -2.671 106.188 108.800 0.098 0.000 3.765 305 G HA2 -0.005 3.981 3.960 0.044 0.000 0.153 305 G HA3 -0.005 3.988 3.960 0.057 0.000 0.153 305 G C -0.579 174.377 174.900 0.093 0.000 1.286 305 G CA 0.676 45.820 45.100 0.072 0.000 0.814 305 G HN 0.195 8.467 8.290 0.151 0.108 0.772 306 F N 3.887 123.834 119.950 -0.005 0.000 2.026 306 F HA -0.350 4.166 4.527 -0.020 0.000 0.296 306 F C 1.378 177.173 175.800 -0.008 0.000 1.133 306 F CA 3.866 61.857 58.000 -0.014 0.000 1.188 306 F CB 0.584 39.569 39.000 -0.024 0.000 0.968 306 F HN -0.739 7.632 8.300 0.290 0.102 0.476 307 V N -3.970 116.099 119.914 0.258 0.000 2.759 307 V HA -0.422 3.871 4.120 0.022 -0.159 0.256 307 V C 0.720 176.815 176.094 0.002 0.000 1.080 307 V CA 2.415 64.785 62.300 0.116 0.000 1.101 307 V CB -1.386 30.555 31.823 0.198 0.000 0.698 307 V HN -0.230 8.209 8.190 0.416 0.000 0.477 308 N N -3.301 115.407 118.700 0.014 0.000 2.512 308 N HA -0.178 4.562 4.740 -0.001 0.000 0.183 308 N C 0.896 176.377 175.510 -0.049 0.000 1.073 308 N CA 1.748 54.793 53.050 -0.008 0.000 0.911 308 N CB 0.447 38.939 38.487 0.009 0.000 0.964 308 N HN -0.219 8.052 8.380 0.056 0.142 0.447 309 L N -2.154 119.006 121.223 -0.105 0.000 1.851 309 L HA -0.146 4.138 4.340 -0.092 0.000 0.228 309 L C 0.357 177.151 176.870 -0.125 0.000 1.095 309 L CA 1.880 56.638 54.840 -0.137 0.000 1.147 309 L CB 0.167 42.089 42.059 -0.229 0.000 1.019 309 L HN -0.328 7.623 8.230 -0.136 0.197 0.580 310 D N -5.279 115.018 120.400 -0.171 0.000 2.661 310 D HA 0.175 4.760 4.640 -0.091 0.000 0.228 310 D C 0.654 176.866 176.300 -0.146 0.000 1.183 310 D CA -1.301 52.625 54.000 -0.124 0.000 0.844 310 D CB 3.521 44.265 40.800 -0.094 0.000 1.555 310 D HN -0.347 7.872 8.370 -0.251 0.000 0.453 311 L N 0.585 121.753 121.223 -0.091 0.000 2.012 311 L HA -0.139 4.310 4.340 -0.077 -0.155 0.210 311 L C 1.474 178.298 176.870 -0.077 0.000 1.073 311 L CA 2.627 57.423 54.840 -0.072 0.000 0.748 311 L CB -0.136 41.900 42.059 -0.037 0.000 0.891 311 L HN 0.357 8.547 8.230 -0.067 0.000 0.431 312 N N -1.537 117.124 118.700 -0.066 0.000 2.148 312 N HA -0.214 4.500 4.740 -0.044 0.000 0.186 312 N C 1.478 176.944 175.510 -0.073 0.000 1.031 312 N CA 3.535 56.553 53.050 -0.054 0.000 0.848 312 N CB -0.115 38.350 38.487 -0.037 0.000 1.005 312 N HN -0.218 8.407 8.380 -0.060 -0.281 0.427 313 D N 1.610 121.955 120.400 -0.091 0.000 2.126 313 D HA -0.362 4.239 4.640 -0.064 0.000 0.190 313 D C 1.875 178.075 176.300 -0.167 0.000 1.001 313 D CA 3.711 57.647 54.000 -0.106 0.000 0.841 313 D CB -0.230 40.498 40.800 -0.120 0.000 0.949 313 D HN -0.409 8.074 8.370 -0.086 -0.165 0.446 314 Q N -1.514 118.108 119.800 -0.296 0.000 2.077 314 Q HA -0.420 3.487 4.340 -0.722 0.000 0.206 314 Q C 2.662 178.547 176.000 -0.191 0.000 0.989 314 Q CA 3.467 58.944 55.803 -0.544 0.000 0.853 314 Q CB -0.048 28.186 28.738 -0.840 0.000 0.907 314 Q HN 0.489 8.456 8.270 -0.282 0.134 0.418 315 V N 0.218 120.077 119.914 -0.091 0.000 2.270 315 V HA -0.455 3.685 4.120 0.033 0.000 0.245 315 V C 1.732 177.818 176.094 -0.013 0.000 1.043 315 V CA 4.209 66.500 62.300 -0.016 0.000 1.014 315 V CB -0.013 31.797 31.823 -0.022 0.000 0.645 315 V HN -0.678 7.366 8.190 -0.110 0.080 0.447 316 T N 3.058 117.603 114.554 -0.015 0.000 2.592 316 T HA -0.543 3.833 4.350 0.042 0.000 0.267 316 T C 1.999 176.748 174.700 0.082 0.000 1.060 316 T CA 5.611 67.733 62.100 0.036 0.000 1.167 316 T CB -0.014 68.872 68.868 0.031 0.000 0.863 316 T HN 0.625 8.705 8.240 -0.036 0.138 0.431 317 L N -0.707 120.546 121.223 0.050 0.000 1.971 317 L HA -0.230 4.176 4.340 0.111 0.000 0.215 317 L C 2.421 179.347 176.870 0.093 0.000 1.072 317 L CA 3.172 58.060 54.840 0.080 0.000 0.758 317 L CB -1.110 40.976 42.059 0.046 0.000 0.889 317 L HN 0.137 8.366 8.230 -0.001 0.000 0.433 318 L N -1.408 119.857 121.223 0.070 0.000 2.013 318 L HA -0.528 3.890 4.340 0.027 -0.062 0.212 318 L C 2.797 179.618 176.870 -0.081 0.000 1.073 318 L CA 3.651 58.504 54.840 0.021 0.000 0.753 318 L CB -0.437 41.654 42.059 0.052 0.000 0.890 318 L HN -0.534 7.743 8.230 0.078 0.000 0.432 319 K N 0.083 120.429 120.400 -0.090 0.000 2.107 319 K HA -0.370 3.785 4.320 -0.276 0.000 0.211 319 K C 1.391 177.797 176.600 -0.322 0.000 1.049 319 K CA 2.752 58.902 56.287 -0.227 0.000 0.927 319 K CB -0.134 32.250 32.500 -0.193 0.000 0.714 319 K HN 0.739 8.771 8.250 -0.040 0.194 0.452 320 Y N -6.602 113.691 120.300 -0.011 0.000 2.531 320 Y HA 0.272 4.958 4.550 0.228 0.000 0.249 320 Y C -0.088 175.872 175.900 0.101 0.000 1.168 320 Y CA -0.024 58.137 58.100 0.101 0.000 1.226 320 Y CB 1.433 39.950 38.460 0.095 0.000 1.177 320 Y HN -0.386 7.886 8.280 0.157 0.103 0.527 321 G N -1.319 107.563 108.800 0.137 0.000 2.763 321 G HA2 -0.048 4.009 3.960 0.162 0.000 0.205 321 G HA3 -0.048 3.997 3.960 0.092 -0.030 0.205 321 G C 0.318 175.241 174.900 0.038 0.000 1.137 321 G CA 0.793 45.960 45.100 0.111 0.000 0.839 321 G HN -0.004 8.081 8.290 0.047 0.233 0.596 322 V N 3.238 123.104 119.914 -0.079 0.000 2.418 322 V HA -0.648 3.410 4.120 -0.104 0.000 0.258 322 V C 0.837 176.820 176.094 -0.185 0.000 1.088 322 V CA 4.075 66.279 62.300 -0.161 0.000 1.091 322 V CB 0.196 31.869 31.823 -0.249 0.000 0.669 322 V HN 0.141 8.121 8.190 -0.087 0.158 0.461 323 H N 0.008 119.033 119.070 -0.075 0.000 2.253 323 H HA -0.453 3.826 4.556 -0.462 0.000 0.296 323 H C 2.217 177.595 175.328 0.082 0.000 1.067 323 H CA 3.958 59.968 56.048 -0.062 0.000 1.245 323 H CB -0.269 29.642 29.762 0.248 0.000 1.364 323 H HN -0.270 7.889 8.280 -0.160 0.024 0.494 324 E N -3.307 117.113 120.200 0.366 0.000 2.501 324 E HA -0.315 4.289 4.350 0.424 0.000 0.203 324 E C 0.714 177.457 176.600 0.237 0.000 1.072 324 E CA 2.490 59.087 56.400 0.328 0.000 0.885 324 E CB -0.787 29.076 29.700 0.271 0.000 0.813 324 E HN -0.031 8.543 8.360 0.357 0.000 0.556 325 I N -1.102 119.535 120.570 0.112 0.000 2.522 325 I HA -0.383 3.884 4.170 0.162 0.000 0.240 325 I C 0.968 177.104 176.117 0.032 0.000 1.078 325 I CA 2.816 64.164 61.300 0.080 0.000 1.422 325 I CB 0.520 38.529 38.000 0.014 0.000 1.188 325 I HN -0.744 7.330 8.210 0.052 0.167 0.442 326 I N 0.131 120.609 120.570 -0.153 0.000 2.208 326 I HA -0.627 3.513 4.170 -0.049 0.000 0.245 326 I C 2.344 178.393 176.117 -0.114 0.000 1.097 326 I CA 4.538 65.710 61.300 -0.214 0.000 1.363 326 I CB -0.184 37.543 38.000 -0.455 0.000 1.051 326 I HN 0.634 8.584 8.210 -0.244 0.113 0.413 327 Y N -3.777 116.566 120.300 0.071 0.000 2.457 327 Y HA -0.206 4.354 4.550 0.017 0.000 0.292 327 Y C 2.544 178.427 175.900 -0.028 0.000 1.125 327 Y CA 1.450 59.557 58.100 0.012 0.000 1.254 327 Y CB -1.338 37.110 38.460 -0.019 0.000 1.012 327 Y HN 0.380 8.444 8.280 -0.358 0.001 0.555 328 T N 2.109 116.773 114.554 0.183 0.000 2.622 328 T HA -0.353 4.094 4.350 0.162 0.000 0.266 328 T C 1.538 176.309 174.700 0.118 0.000 1.047 328 T CA 4.349 66.562 62.100 0.187 0.000 1.159 328 T CB -0.034 69.033 68.868 0.333 0.000 0.863 328 T HN -0.203 7.972 8.240 0.179 0.172 0.422 329 M N -2.900 116.789 119.600 0.149 0.000 2.466 329 M HA 0.306 5.096 4.480 0.112 -0.243 0.265 329 M C 2.017 178.407 176.300 0.150 0.000 1.122 329 M CA 2.306 57.694 55.300 0.146 0.000 1.157 329 M CB 0.305 33.024 32.600 0.197 0.000 1.352 329 M HN -0.698 7.696 8.290 0.173 0.000 0.464 330 L N 1.568 122.892 121.223 0.169 0.000 1.997 330 L HA -0.559 3.903 4.340 0.204 0.000 0.227 330 L C 2.355 179.322 176.870 0.162 0.000 1.087 330 L CA 3.664 58.614 54.840 0.183 0.000 0.797 330 L CB -0.970 41.213 42.059 0.207 0.000 0.902 330 L HN -0.035 8.200 8.230 0.168 0.096 0.441 331 A N -3.325 119.575 122.820 0.134 0.000 1.944 331 A HA -0.437 3.982 4.320 0.165 0.000 0.222 331 A C 2.387 180.067 177.584 0.161 0.000 1.237 331 A CA 2.909 55.030 52.037 0.140 0.000 0.668 331 A CB -0.984 18.062 19.000 0.076 0.000 0.830 331 A HN -0.478 7.733 8.150 0.101 0.000 0.471 332 S N -0.805 114.979 115.700 0.141 0.000 2.359 332 S HA -0.228 4.312 4.470 0.117 0.000 0.224 332 S C 1.300 175.955 174.600 0.092 0.000 1.035 332 S CA 2.807 61.074 58.200 0.113 0.000 1.018 332 S CB -0.203 63.054 63.200 0.094 0.000 0.876 332 S HN -0.014 8.290 8.310 0.137 0.089 0.448 333 L N -0.227 121.055 121.223 0.098 0.000 2.801 333 L HA 0.068 4.435 4.340 0.046 0.000 0.250 333 L C -1.369 175.562 176.870 0.103 0.000 1.222 333 L CA -0.810 54.080 54.840 0.082 0.000 1.054 333 L CB -2.894 39.216 42.059 0.086 0.000 1.330 333 L HN -0.046 8.168 8.230 0.117 0.086 0.426 334 M N -1.468 118.197 119.600 0.109 0.000 2.753 334 M HA 0.163 4.720 4.480 0.129 0.000 0.299 334 M C -1.766 174.539 176.300 0.010 0.000 1.219 334 M CA -1.342 54.036 55.300 0.129 0.000 0.900 334 M CB 3.264 36.020 32.600 0.261 0.000 1.628 334 M HN -0.749 7.410 8.290 0.112 0.198 0.502 335 N N -0.923 117.710 118.700 -0.112 0.000 2.647 335 N HA 0.250 4.848 4.740 -0.236 0.000 0.266 335 N C 0.298 175.317 175.510 -0.819 0.000 1.373 335 N CA -0.983 51.850 53.050 -0.363 0.000 0.807 335 N CB 3.609 41.756 38.487 -0.567 0.000 1.513 335 N HN 0.409 8.744 8.380 -0.074 0.000 0.505 336 K N 0.400 120.390 120.400 -0.684 0.000 2.032 336 K HA -0.276 3.588 4.320 -0.759 0.000 0.209 336 K C -0.000 175.813 176.600 -1.311 0.000 1.048 336 K CA 2.835 58.616 56.287 -0.844 0.000 0.927 336 K CB 0.224 32.570 32.500 -0.257 0.000 0.712 336 K HN 0.610 8.603 8.250 -0.428 0.000 0.441 337 D N -1.777 118.187 120.400 -0.726 0.000 2.908 337 D HA 0.369 4.725 4.640 -0.475 0.000 0.361 337 D C -1.248 174.935 176.300 -0.195 0.000 1.416 337 D CA -0.578 53.171 54.000 -0.418 0.000 0.796 337 D CB 1.657 42.335 40.800 -0.203 0.000 1.185 337 D HN 0.402 8.907 8.370 -0.559 -0.471 0.451 338 G N -2.709 105.928 108.800 -0.271 0.000 2.441 338 G HA2 0.339 4.549 3.960 0.272 0.000 0.294 338 G HA3 0.339 4.516 3.960 0.353 -0.005 0.294 338 G C -3.355 171.577 174.900 0.053 0.000 1.393 338 G CA 0.535 45.711 45.100 0.126 0.000 0.796 338 G HN -0.750 7.035 8.290 -0.590 0.151 0.494 339 V N -5.270 114.828 119.914 0.306 0.000 2.711 339 V HA 0.404 4.590 4.120 0.111 0.000 0.304 339 V C -1.638 174.627 176.094 0.284 0.000 1.097 339 V CA -2.189 60.239 62.300 0.213 0.000 0.906 339 V CB 3.056 35.012 31.823 0.222 0.000 1.015 339 V HN -0.333 8.208 8.190 0.605 0.011 0.427 340 L N 6.193 127.534 121.223 0.195 0.000 2.601 340 L HA -0.071 4.643 4.340 0.288 -0.201 0.277 340 L C 0.216 177.220 176.870 0.224 0.000 1.219 340 L CA 0.778 55.745 54.840 0.210 0.000 0.915 340 L CB -1.792 40.336 42.059 0.115 0.000 1.160 340 L HN 0.267 8.465 8.230 0.119 0.104 0.494 341 I N -0.500 120.212 120.570 0.236 0.000 2.466 341 I HA 0.371 4.673 4.170 0.220 0.000 0.289 341 I C -0.165 176.095 176.117 0.238 0.000 1.026 341 I CA -1.983 59.452 61.300 0.225 0.000 1.078 341 I CB 3.454 41.577 38.000 0.204 0.000 1.249 341 I HN 0.243 8.528 8.210 0.255 0.079 0.429 342 S N 7.724 123.560 115.700 0.227 0.000 2.555 342 S HA -0.421 4.168 4.470 0.198 0.000 0.267 342 S C 0.508 175.231 174.600 0.204 0.000 1.109 342 S CA 2.753 61.077 58.200 0.206 0.000 1.578 342 S CB 0.017 63.320 63.200 0.172 0.000 1.234 342 S HN 0.658 9.103 8.310 0.225 0.000 0.413 343 E N -0.002 120.316 120.200 0.196 0.000 3.699 343 E HA -0.328 4.100 4.350 0.130 0.000 0.299 343 E C 1.680 178.325 176.600 0.075 0.000 1.551 343 E CA 1.250 57.751 56.400 0.168 0.000 2.243 343 E CB -0.293 29.591 29.700 0.308 0.000 1.984 343 E HN 0.112 8.588 8.360 0.192 0.000 0.434 344 G N -1.665 107.088 108.800 -0.080 0.000 3.262 344 G HA2 -0.187 3.704 3.960 -0.116 0.000 0.222 344 G HA3 -0.187 3.519 3.960 -0.424 0.000 0.222 344 G C -1.245 173.658 174.900 0.005 0.000 1.269 344 G CA 0.147 45.139 45.100 -0.180 0.000 1.032 344 G HN 0.143 8.301 8.290 -0.219 0.000 0.502 345 Q N -4.065 115.827 119.800 0.154 0.000 2.430 345 Q HA -0.506 4.027 4.340 0.180 -0.084 0.333 345 Q C -1.360 174.848 176.000 0.347 0.000 1.447 345 Q CA 0.814 56.735 55.803 0.196 0.000 0.852 345 Q CB -2.974 25.826 28.738 0.103 0.000 1.101 345 Q HN 0.098 8.197 8.270 0.163 0.268 0.345 346 G N -1.635 107.436 108.800 0.451 0.000 3.253 346 G HA2 0.875 5.052 3.960 0.345 0.000 0.175 346 G HA3 0.875 5.106 3.960 0.150 -0.181 0.175 346 G C -2.637 172.417 174.900 0.257 0.000 1.098 346 G CA -0.906 44.391 45.100 0.328 0.000 0.790 346 G HN 0.015 8.555 8.290 0.416 0.000 0.648 347 F N -4.533 115.345 119.950 -0.120 0.000 2.714 347 F HA 0.465 5.138 4.527 0.024 -0.132 0.313 347 F C -3.086 172.672 175.800 -0.070 0.000 1.104 347 F CA -0.456 57.516 58.000 -0.047 0.000 1.005 347 F CB 2.040 41.021 39.000 -0.033 0.000 1.268 347 F HN -0.078 7.863 8.300 -0.599 0.000 0.449 348 M N 3.548 123.232 119.600 0.140 0.000 2.084 348 M HA 0.302 4.769 4.480 -0.022 0.000 0.351 348 M C 0.206 176.675 176.300 0.281 0.000 1.240 348 M CA -0.470 54.911 55.300 0.135 0.000 1.083 348 M CB 1.945 34.666 32.600 0.203 0.000 1.593 348 M HN 0.719 9.092 8.290 0.263 0.075 0.463 349 T N 4.057 118.722 114.554 0.186 0.000 2.860 349 T HA 0.095 4.799 4.350 0.367 -0.134 0.299 349 T C 0.633 175.427 174.700 0.157 0.000 1.045 349 T CA -0.518 61.718 62.100 0.227 0.000 1.071 349 T CB 1.788 70.672 68.868 0.027 0.000 0.985 349 T HN 0.037 8.279 8.240 0.003 0.000 0.537 350 R N 4.544 125.084 120.500 0.067 0.000 2.062 350 R HA -0.259 4.154 4.340 0.121 0.000 0.231 350 R C 2.001 178.332 176.300 0.052 0.000 1.136 350 R CA 3.822 59.969 56.100 0.078 0.000 0.948 350 R CB 0.012 30.363 30.300 0.085 0.000 0.845 350 R HN 0.372 8.486 8.270 0.010 0.161 0.430 351 E N -1.963 118.206 120.200 -0.052 0.000 2.339 351 E HA -0.294 4.059 4.350 0.005 0.000 0.201 351 E C 1.686 178.354 176.600 0.114 0.000 1.015 351 E CA 2.710 59.068 56.400 -0.069 0.000 0.841 351 E CB -1.026 28.492 29.700 -0.303 0.000 0.754 351 E HN 0.326 8.614 8.360 -0.120 0.000 0.508 352 F N -0.495 119.433 119.950 -0.036 0.000 2.135 352 F HA -0.124 4.579 4.527 0.294 0.000 0.280 352 F C 0.561 176.432 175.800 0.118 0.000 1.109 352 F CA 1.548 59.645 58.000 0.161 0.000 1.163 352 F CB 0.418 39.528 39.000 0.183 0.000 1.062 352 F HN -0.877 7.341 8.300 0.164 0.180 0.496 353 L N -3.271 117.859 121.223 -0.156 0.000 2.010 353 L HA -0.429 3.596 4.340 -0.526 0.000 0.219 353 L C 2.341 179.169 176.870 -0.069 0.000 1.077 353 L CA 3.302 57.999 54.840 -0.239 0.000 0.773 353 L CB -1.493 40.540 42.059 -0.043 0.000 0.892 353 L HN -0.344 7.921 8.230 0.059 0.000 0.436 354 K N -1.931 118.481 120.400 0.021 0.000 2.032 354 K HA -0.333 4.026 4.320 0.023 -0.026 0.209 354 K C 0.936 177.563 176.600 0.044 0.000 1.048 354 K CA 2.651 58.959 56.287 0.035 0.000 0.927 354 K CB -0.164 32.364 32.500 0.047 0.000 0.712 354 K HN 0.117 8.397 8.250 0.050 0.000 0.441 355 S N -0.595 115.157 115.700 0.086 0.000 3.219 355 S HA -0.216 4.315 4.470 0.102 0.000 0.278 355 S C -0.687 173.966 174.600 0.087 0.000 1.024 355 S CA 1.460 59.733 58.200 0.122 0.000 1.528 355 S CB -2.295 61.048 63.200 0.238 0.000 1.548 355 S HN -0.567 7.642 8.310 0.114 0.170 0.596 356 L N -1.176 120.083 121.223 0.060 0.000 2.808 356 L HA 0.090 4.469 4.340 0.065 0.000 0.317 356 L C -1.373 175.528 176.870 0.053 0.000 0.756 356 L CA -0.579 54.295 54.840 0.057 0.000 1.128 356 L CB 0.290 42.374 42.059 0.042 0.000 1.726 356 L HN -0.215 8.036 8.230 0.052 0.010 0.343 357 R N 2.111 122.658 120.500 0.078 0.000 2.543 357 R HA -0.291 4.077 4.340 0.046 0.000 0.280 357 R C 1.316 177.620 176.300 0.006 0.000 0.885 357 R CA 1.231 57.372 56.100 0.067 0.000 1.130 357 R CB 0.427 30.826 30.300 0.165 0.000 0.871 357 R HN 0.261 8.590 8.270 0.099 0.000 0.424 358 K N 4.404 124.783 120.400 -0.034 0.000 2.077 358 K HA -0.331 3.960 4.320 -0.048 0.000 0.213 358 K C -0.932 175.588 176.600 -0.133 0.000 1.051 358 K CA 3.006 59.251 56.287 -0.070 0.000 0.929 358 K CB -2.218 30.237 32.500 -0.075 0.000 0.715 358 K HN 0.510 8.743 8.250 -0.027 0.000 0.451 359 P HA -0.070 4.128 4.420 -0.370 0.000 0.207 359 P C 0.559 177.646 177.300 -0.355 0.000 1.212 359 P CA 0.966 63.850 63.100 -0.361 0.000 0.914 359 P CB -0.023 31.388 31.700 -0.483 0.000 0.750 360 F N -3.720 116.079 119.950 -0.252 0.000 2.380 360 F HA -0.221 4.272 4.527 -0.057 0.000 0.299 360 F C 2.030 177.796 175.800 -0.057 0.000 1.064 360 F CA 1.520 59.452 58.000 -0.115 0.000 1.432 360 F CB -0.780 38.184 39.000 -0.060 0.000 1.089 360 F HN -0.108 7.967 8.300 -0.376 0.000 0.562 361 G N -1.707 107.125 108.800 0.053 0.000 3.709 361 G HA2 -0.085 4.163 3.960 0.050 0.000 0.272 361 G HA3 -0.085 4.116 3.960 0.015 -0.232 0.272 361 G C -2.169 172.711 174.900 -0.033 0.000 1.259 361 G CA -0.169 44.944 45.100 0.023 0.000 1.512 361 G HN 0.096 8.197 8.290 -0.017 0.179 0.625 362 D N -1.985 118.373 120.400 -0.070 0.000 4.135 362 D HA 0.024 4.656 4.640 -0.013 0.000 0.227 362 D C -2.308 173.887 176.300 -0.175 0.000 1.501 362 D CA 0.382 54.318 54.000 -0.107 0.000 1.027 362 D CB 0.395 41.090 40.800 -0.174 0.000 1.320 362 D HN -0.690 7.570 8.370 -0.041 0.086 0.855 363 F N -0.756 119.199 119.950 0.007 0.000 2.850 363 F HA 0.220 4.706 4.527 -0.068 0.000 0.329 363 F C -1.735 174.092 175.800 0.046 0.000 1.182 363 F CA -1.065 56.929 58.000 -0.009 0.000 1.270 363 F CB 1.587 40.599 39.000 0.019 0.000 0.979 363 F HN 0.177 8.599 8.300 0.204 0.000 0.506 364 M N 0.347 120.083 119.600 0.227 0.000 1.643 364 M HA -0.021 4.594 4.480 0.225 0.000 0.222 364 M C -0.870 175.569 176.300 0.231 0.000 1.060 364 M CA 2.907 58.342 55.300 0.225 0.000 0.920 364 M CB 0.795 33.533 32.600 0.230 0.000 1.774 364 M HN -0.434 7.899 8.290 0.161 0.054 0.650 365 E N 2.304 122.636 120.200 0.220 0.000 2.147 365 E HA -0.322 4.374 4.350 0.577 0.000 0.199 365 E C -0.897 175.750 176.600 0.080 0.000 1.005 365 E CA 5.348 61.913 56.400 0.275 0.000 0.810 365 E CB -1.979 27.828 29.700 0.178 0.000 0.736 365 E HN 0.672 9.136 8.360 0.175 0.000 0.460 366 P HA -0.017 4.380 4.420 -0.037 0.000 0.222 366 P C 1.259 178.444 177.300 -0.190 0.000 1.153 366 P CA 1.947 64.984 63.100 -0.105 0.000 0.798 366 P CB -0.456 31.131 31.700 -0.188 0.000 0.796 367 K N -0.663 119.694 120.400 -0.071 0.000 1.991 367 K HA -0.246 3.956 4.320 -0.197 0.000 0.207 367 K C 2.159 178.825 176.600 0.110 0.000 1.045 367 K CA 3.483 59.757 56.287 -0.021 0.000 0.937 367 K CB -0.216 32.349 32.500 0.109 0.000 0.720 367 K HN -0.079 8.023 8.250 0.029 0.166 0.438 368 F N 0.666 120.675 119.950 0.099 0.000 2.069 368 F HA -0.304 4.285 4.527 0.102 0.000 0.298 368 F C 1.431 177.312 175.800 0.135 0.000 1.113 368 F CA 1.662 59.726 58.000 0.105 0.000 1.214 368 F CB -0.546 38.503 39.000 0.083 0.000 0.978 368 F HN 0.393 8.904 8.300 0.353 0.000 0.474 369 E N 0.089 119.557 120.200 -1.220 0.000 2.065 369 E HA -0.510 2.830 4.350 -1.682 0.000 0.201 369 E C 2.530 178.996 176.600 -0.224 0.000 1.016 369 E CA 3.315 59.085 56.400 -1.051 0.000 0.818 369 E CB -0.307 29.016 29.700 -0.629 0.000 0.749 369 E HN -0.343 7.411 8.360 -1.009 0.000 0.453 370 F N -2.613 117.190 119.950 -0.244 0.000 2.161 370 F HA -0.324 4.170 4.527 -0.055 0.000 0.300 370 F C 2.077 177.895 175.800 0.030 0.000 1.089 370 F CA 3.214 61.163 58.000 -0.085 0.000 1.282 370 F CB -0.558 38.376 39.000 -0.112 0.000 1.010 370 F HN -0.576 7.912 8.300 0.314 0.000 0.485 371 A N -0.408 122.536 122.820 0.207 0.000 1.877 371 A HA -0.379 4.126 4.320 0.309 0.000 0.216 371 A C 1.528 179.231 177.584 0.198 0.000 1.186 371 A CA 3.181 55.358 52.037 0.234 0.000 0.620 371 A CB -0.928 18.206 19.000 0.223 0.000 0.822 371 A HN -0.312 7.817 8.150 0.171 0.123 0.443 372 V N -2.091 117.908 119.914 0.142 0.000 2.660 372 V HA -0.284 4.071 4.120 0.143 -0.150 0.257 372 V C 1.066 177.197 176.094 0.062 0.000 1.088 372 V CA 3.273 65.641 62.300 0.113 0.000 1.106 372 V CB -0.560 31.324 31.823 0.103 0.000 0.686 372 V HN 0.078 8.249 8.190 0.103 0.080 0.481 373 K N -2.438 117.996 120.400 0.058 0.000 2.370 373 K HA 0.025 4.343 4.320 -0.004 0.000 0.194 373 K C 1.144 177.787 176.600 0.071 0.000 1.070 373 K CA 1.094 57.393 56.287 0.019 0.000 0.998 373 K CB 0.845 33.306 32.500 -0.065 0.000 0.911 373 K HN -0.524 7.589 8.250 0.080 0.184 0.533 374 F N 1.781 121.722 119.950 -0.016 0.000 2.317 374 F HA -0.100 4.419 4.527 -0.013 0.000 0.293 374 F C 0.464 176.257 175.800 -0.011 0.000 1.085 374 F CA 2.604 60.604 58.000 0.000 0.000 1.390 374 F CB 1.744 40.775 39.000 0.052 0.000 1.077 374 F HN -0.185 8.049 8.300 0.308 0.250 0.517 375 N N -0.772 118.034 118.700 0.177 0.000 2.405 375 N HA -0.429 4.377 4.740 0.110 0.000 0.189 375 N C 0.566 176.076 175.510 -0.000 0.000 1.021 375 N CA 2.717 55.821 53.050 0.089 0.000 0.891 375 N CB -0.141 38.398 38.487 0.086 0.000 0.955 375 N HN 0.854 9.207 8.380 0.211 0.154 0.443 376 A N -2.752 120.046 122.820 -0.036 0.000 2.648 376 A HA 0.040 4.326 4.320 -0.057 0.000 0.269 376 A C -0.979 176.525 177.584 -0.133 0.000 1.392 376 A CA 0.296 52.289 52.037 -0.073 0.000 1.019 376 A CB -1.483 17.479 19.000 -0.063 0.000 1.009 376 A HN -0.350 7.715 8.150 -0.021 0.073 0.565 377 L N -9.626 111.501 121.223 -0.160 0.000 4.368 377 L HA 0.342 4.592 4.340 -0.150 0.000 0.430 377 L C -1.255 175.509 176.870 -0.176 0.000 1.098 377 L CA 0.480 55.197 54.840 -0.206 0.000 1.557 377 L CB 1.304 43.138 42.059 -0.375 0.000 1.638 377 L HN -0.747 7.301 8.230 -0.119 0.110 0.622 378 E N 1.143 121.270 120.200 -0.121 0.000 2.081 378 E HA 0.184 4.456 4.350 -0.130 0.000 0.276 378 E C -1.557 174.999 176.600 -0.073 0.000 0.950 378 E CA -0.701 55.646 56.400 -0.089 0.000 0.776 378 E CB 0.891 30.576 29.700 -0.026 0.000 1.094 378 E HN -0.750 7.452 8.360 -0.091 0.104 0.402 379 L N 3.315 124.495 121.223 -0.072 0.000 2.350 379 L HA -0.076 4.140 4.340 -0.207 0.000 0.209 379 L C -0.351 176.515 176.870 -0.006 0.000 1.215 379 L CA 0.232 54.996 54.840 -0.127 0.000 2.667 379 L CB 0.310 42.234 42.059 -0.225 0.000 2.466 379 L HN 0.274 8.481 8.230 -0.039 0.000 1.095 380 D N -4.341 116.113 120.400 0.090 0.000 2.185 380 D HA 0.080 4.771 4.640 0.085 0.000 0.247 380 D C 0.643 177.038 176.300 0.158 0.000 1.027 380 D CA -1.094 52.975 54.000 0.115 0.000 0.861 380 D CB 1.137 42.012 40.800 0.124 0.000 1.202 380 D HN -0.418 8.360 8.370 0.162 -0.310 0.453 381 D N 2.625 123.146 120.400 0.201 0.000 2.244 381 D HA -0.503 4.303 4.640 0.277 0.000 0.197 381 D C 1.732 178.325 176.300 0.488 0.000 1.006 381 D CA 4.231 58.443 54.000 0.354 0.000 0.888 381 D CB -0.414 40.657 40.800 0.451 0.000 0.912 381 D HN 0.495 8.964 8.370 0.165 0.000 0.452 382 S N 0.785 116.644 115.700 0.264 0.000 2.354 382 S HA -0.431 4.120 4.470 0.136 0.000 0.219 382 S C 1.351 176.063 174.600 0.188 0.000 1.035 382 S CA 3.745 61.989 58.200 0.075 0.000 1.037 382 S CB -0.108 62.971 63.200 -0.202 0.000 0.956 382 S HN -0.107 8.279 8.310 0.127 -0.000 0.428 383 D N 0.984 121.484 120.400 0.167 0.000 2.218 383 D HA -0.196 4.543 4.640 0.165 0.000 0.204 383 D C 2.640 179.085 176.300 0.242 0.000 0.976 383 D CA 3.019 57.138 54.000 0.199 0.000 0.853 383 D CB -0.330 40.618 40.800 0.248 0.000 0.939 383 D HN 0.533 9.639 8.370 0.155 -0.643 0.481 384 L N -0.226 121.127 121.223 0.216 0.000 2.034 384 L HA -0.300 4.170 4.340 0.217 0.000 0.203 384 L C 2.003 178.965 176.870 0.153 0.000 1.074 384 L CA 2.768 57.723 54.840 0.192 0.000 0.748 384 L CB -0.741 41.398 42.059 0.134 0.000 0.905 384 L HN -0.115 8.119 8.230 0.213 0.124 0.439 385 A N -0.732 122.139 122.820 0.084 0.000 1.954 385 A HA -0.441 3.136 4.320 -1.239 0.000 0.222 385 A C 2.348 179.907 177.584 -0.042 0.000 1.199 385 A CA 3.148 54.972 52.037 -0.356 0.000 0.657 385 A CB -0.722 18.333 19.000 0.092 0.000 0.823 385 A HN 0.915 9.074 8.150 0.267 0.152 0.463 386 I N -2.665 117.989 120.570 0.140 0.000 2.233 386 I HA -0.409 3.850 4.170 0.148 0.000 0.243 386 I C 2.572 178.768 176.117 0.131 0.000 1.093 386 I CA 3.552 64.938 61.300 0.144 0.000 1.380 386 I CB -0.140 37.940 38.000 0.134 0.000 1.067 386 I HN -0.616 7.700 8.210 0.184 0.004 0.413 387 F N 1.308 121.286 119.950 0.047 0.000 2.048 387 F HA -0.558 4.018 4.527 0.081 0.000 0.296 387 F C 1.725 177.549 175.800 0.041 0.000 1.109 387 F CA 4.365 62.407 58.000 0.069 0.000 1.214 387 F CB 0.070 39.134 39.000 0.106 0.000 0.963 387 F HN -0.566 7.885 8.300 0.369 0.070 0.491 388 I N -2.294 118.443 120.570 0.277 0.000 2.290 388 I HA -0.650 3.655 4.170 0.224 0.000 0.253 388 I C 1.334 177.440 176.117 -0.018 0.000 1.112 388 I CA 3.044 64.424 61.300 0.132 0.000 1.377 388 I CB -0.023 38.013 38.000 0.060 0.000 1.060 388 I HN -0.306 8.070 8.210 0.277 0.000 0.428 389 A N -1.147 121.629 122.820 -0.072 0.000 1.897 389 A HA -0.157 4.043 4.320 -0.200 0.000 0.215 389 A C 1.653 179.192 177.584 -0.075 0.000 1.181 389 A CA 3.283 55.241 52.037 -0.131 0.000 0.620 389 A CB -0.843 18.080 19.000 -0.129 0.000 0.821 389 A HN 0.554 8.532 8.150 -0.020 0.161 0.443 390 V N -2.675 117.182 119.914 -0.096 0.000 2.982 390 V HA -0.274 3.793 4.120 -0.089 0.000 0.265 390 V C 0.817 176.841 176.094 -0.117 0.000 1.122 390 V CA 2.913 65.129 62.300 -0.140 0.000 1.143 390 V CB -0.658 31.001 31.823 -0.274 0.000 0.726 390 V HN -0.466 7.571 8.190 -0.088 0.100 0.507 391 I N -4.674 115.855 120.570 -0.068 0.000 4.139 391 I HA -0.023 4.148 4.170 0.001 0.000 0.320 391 I C 0.592 176.728 176.117 0.031 0.000 1.290 391 I CA -0.062 61.240 61.300 0.005 0.000 1.253 391 I CB 1.746 39.791 38.000 0.076 0.000 1.122 391 I HN -0.682 7.371 8.210 -0.054 0.125 0.421 392 I N 1.050 121.621 120.570 0.003 0.000 2.163 392 I HA -0.273 3.918 4.170 0.035 0.000 0.240 392 I C 1.095 177.264 176.117 0.086 0.000 1.081 392 I CA 2.702 64.016 61.300 0.022 0.000 1.353 392 I CB 0.380 38.334 38.000 -0.077 0.000 1.054 392 I HN -0.472 7.489 8.210 -0.031 0.231 0.407 393 L N -0.024 121.239 121.223 0.066 0.000 3.461 393 L HA -0.216 4.192 4.340 0.114 0.000 0.246 393 L C -0.080 176.816 176.870 0.044 0.000 1.454 393 L CA -0.151 54.733 54.840 0.073 0.000 1.091 393 L CB -3.432 38.657 42.059 0.051 0.000 1.512 393 L HN -0.264 7.982 8.230 0.026 0.000 0.444 394 S N 1.180 116.914 115.700 0.057 0.000 4.006 394 S HA -0.502 4.011 4.470 0.072 0.000 0.537 394 S C 1.177 175.798 174.600 0.034 0.000 0.960 394 S CA 2.689 60.919 58.200 0.051 0.000 3.417 394 S CB -0.131 63.091 63.200 0.038 0.000 2.317 394 S HN 0.697 8.959 8.310 0.078 0.095 0.469 395 G N -2.272 106.540 108.800 0.020 0.000 2.233 395 G HA2 -0.319 3.646 3.960 0.008 0.000 0.270 395 G HA3 -0.319 3.783 3.960 0.012 -0.134 0.270 395 G C -1.304 173.605 174.900 0.015 0.000 1.011 395 G CA 1.378 46.486 45.100 0.013 0.000 0.762 395 G HN 0.413 8.712 8.290 0.015 0.000 0.511 396 D N -4.777 115.633 120.400 0.017 0.000 4.507 396 D HA -0.077 4.564 4.640 0.002 0.000 0.140 396 D C -2.140 174.164 176.300 0.007 0.000 0.848 396 D CA -0.087 53.921 54.000 0.013 0.000 0.709 396 D CB 0.468 41.285 40.800 0.027 0.000 1.586 396 D HN -0.213 8.125 8.370 0.019 0.044 0.575 397 R N -1.166 119.333 120.500 -0.001 0.000 2.437 397 R HA 0.436 4.747 4.340 -0.048 0.000 0.310 397 R C -2.591 173.650 176.300 -0.098 0.000 0.955 397 R CA -3.610 52.475 56.100 -0.024 0.000 0.851 397 R CB 0.602 30.947 30.300 0.075 0.000 1.161 397 R HN -0.420 7.852 8.270 0.003 0.000 0.446 398 P HA 0.004 4.338 4.420 -0.145 0.000 0.276 398 P C -0.306 176.882 177.300 -0.187 0.000 1.235 398 P CA -0.122 62.829 63.100 -0.248 0.000 0.772 398 P CB 0.268 31.765 31.700 -0.338 0.000 0.871 399 G N 1.313 110.072 108.800 -0.067 0.000 2.164 399 G HA2 -0.394 3.568 3.960 0.002 0.000 0.212 399 G HA3 -0.394 3.597 3.960 0.051 0.000 0.212 399 G C -1.315 173.602 174.900 0.027 0.000 1.031 399 G CA -0.221 44.883 45.100 0.007 0.000 0.730 399 G HN 0.212 8.465 8.290 -0.061 0.000 0.501 400 L N -2.241 118.983 121.223 0.003 0.000 2.482 400 L HA -0.076 4.273 4.340 0.015 0.000 0.242 400 L C -0.169 176.696 176.870 -0.008 0.000 1.210 400 L CA 0.053 54.894 54.840 0.002 0.000 0.819 400 L CB 0.943 42.998 42.059 -0.007 0.000 1.203 400 L HN -0.429 7.792 8.230 -0.016 0.000 0.495 401 L N -0.752 120.459 121.223 -0.020 0.000 2.777 401 L HA 0.172 4.501 4.340 -0.018 0.000 0.172 401 L C 0.196 177.049 176.870 -0.028 0.000 1.179 401 L CA 1.026 55.851 54.840 -0.025 0.000 0.859 401 L CB 1.214 43.252 42.059 -0.035 0.000 1.269 401 L HN 0.068 8.574 8.230 -0.027 -0.293 0.511 402 N N 0.516 119.192 118.700 -0.039 0.000 3.091 402 N HA 0.136 4.859 4.740 -0.028 0.000 0.255 402 N C -0.341 175.150 175.510 -0.032 0.000 1.204 402 N CA -0.972 52.056 53.050 -0.036 0.000 0.990 402 N CB -0.418 38.041 38.487 -0.046 0.000 1.260 402 N HN 0.016 8.819 8.380 -0.050 -0.453 0.502 403 V N 2.109 122.009 119.914 -0.023 0.000 3.241 403 V HA -0.383 3.727 4.120 -0.017 0.000 0.269 403 V C 1.043 177.129 176.094 -0.014 0.000 1.151 403 V CA 1.945 64.235 62.300 -0.017 0.000 1.158 403 V CB -0.022 31.793 31.823 -0.013 0.000 0.764 403 V HN -0.126 8.052 8.190 -0.020 0.000 0.508 404 K N -0.491 119.899 120.400 -0.016 0.000 2.021 404 K HA -0.080 4.235 4.320 -0.009 0.000 0.205 404 K C -0.827 175.766 176.600 -0.013 0.000 1.047 404 K CA 5.088 61.368 56.287 -0.012 0.000 0.943 404 K CB -1.857 30.636 32.500 -0.012 0.000 0.725 404 K HN 0.112 8.275 8.250 -0.019 0.075 0.439 405 P HA -0.046 4.366 4.420 -0.013 0.000 0.218 405 P C 1.343 178.633 177.300 -0.017 0.000 1.152 405 P CA 2.086 65.174 63.100 -0.020 0.000 0.826 405 P CB 0.052 31.734 31.700 -0.030 0.000 0.790 406 I N -0.500 120.054 120.570 -0.026 0.000 2.045 406 I HA -0.573 3.585 4.170 -0.020 0.000 0.233 406 I C 1.905 178.022 176.117 -0.000 0.000 1.048 406 I CA 4.899 66.188 61.300 -0.018 0.000 1.313 406 I CB -0.464 37.519 38.000 -0.027 0.000 1.043 406 I HN 0.459 8.650 8.210 -0.032 0.000 0.393 407 E N -1.630 118.569 120.200 -0.002 0.000 2.273 407 E HA -0.411 3.943 4.350 0.006 0.000 0.198 407 E C 2.189 178.791 176.600 0.004 0.000 1.002 407 E CA 3.061 59.463 56.400 0.003 0.000 0.828 407 E CB -0.725 28.977 29.700 0.002 0.000 0.747 407 E HN -0.553 7.803 8.360 -0.006 0.000 0.491 408 D N 0.031 120.432 120.400 0.001 0.000 2.091 408 D HA -0.165 4.477 4.640 0.002 0.000 0.199 408 D C 2.569 178.872 176.300 0.005 0.000 0.980 408 D CA 3.004 57.005 54.000 0.002 0.000 0.831 408 D CB -0.261 40.538 40.800 -0.001 0.000 0.987 408 D HN -0.712 7.506 8.370 -0.002 0.151 0.460 409 I N -0.429 120.147 120.570 0.010 0.000 2.530 409 I HA -0.412 3.769 4.170 0.019 0.000 0.257 409 I C 2.001 178.128 176.117 0.017 0.000 1.179 409 I CA 1.561 62.874 61.300 0.022 0.000 1.440 409 I CB -1.276 36.750 38.000 0.044 0.000 1.087 409 I HN 0.519 8.546 8.210 0.008 0.188 0.440 410 Q N -0.547 119.259 119.800 0.010 0.000 2.049 410 Q HA -0.346 3.992 4.340 -0.003 0.000 0.198 410 Q C 1.775 177.769 176.000 -0.010 0.000 0.971 410 Q CA 4.022 59.825 55.803 -0.001 0.000 0.833 410 Q CB -0.289 28.449 28.738 -0.000 0.000 0.896 410 Q HN -0.297 7.826 8.270 0.010 0.153 0.434 411 D N -1.991 118.406 120.400 -0.004 0.000 2.254 411 D HA -0.319 4.319 4.640 -0.003 0.000 0.201 411 D C 1.584 177.870 176.300 -0.025 0.000 0.998 411 D CA 3.684 57.679 54.000 -0.008 0.000 0.885 411 D CB -0.193 40.606 40.800 -0.001 0.000 0.915 411 D HN -0.329 7.958 8.370 0.002 0.083 0.460 412 N N -0.656 118.033 118.700 -0.018 0.000 2.178 412 N HA -0.129 4.594 4.740 -0.028 0.000 0.189 412 N C 1.855 177.348 175.510 -0.028 0.000 1.048 412 N CA 2.375 55.413 53.050 -0.020 0.000 0.855 412 N CB 0.265 38.750 38.487 -0.004 0.000 1.028 412 N HN -0.946 7.278 8.380 -0.008 0.151 0.441 413 L N -0.332 120.883 121.223 -0.014 0.000 2.064 413 L HA -0.494 3.852 4.340 0.009 0.000 0.216 413 L C 2.209 179.050 176.870 -0.048 0.000 1.077 413 L CA 3.326 58.157 54.840 -0.014 0.000 0.766 413 L CB -0.670 41.380 42.059 -0.017 0.000 0.890 413 L HN -0.582 7.646 8.230 -0.004 0.000 0.435 414 L N -2.947 118.233 121.223 -0.072 0.000 2.017 414 L HA -0.550 3.717 4.340 -0.122 0.000 0.208 414 L C 1.768 178.504 176.870 -0.223 0.000 1.073 414 L CA 3.621 58.385 54.840 -0.128 0.000 0.745 414 L CB -0.193 41.817 42.059 -0.082 0.000 0.894 414 L HN 0.834 8.912 8.230 -0.053 0.120 0.432 415 Q N -1.641 118.056 119.800 -0.173 0.000 2.014 415 Q HA -0.522 3.652 4.340 -0.275 0.000 0.207 415 Q C 2.759 178.666 176.000 -0.154 0.000 0.993 415 Q CA 3.191 58.883 55.803 -0.184 0.000 0.850 415 Q CB -0.360 28.316 28.738 -0.104 0.000 0.916 415 Q HN -0.188 7.930 8.270 -0.114 0.084 0.417 416 A N -0.414 122.357 122.820 -0.083 0.000 1.892 416 A HA -0.376 3.920 4.320 -0.040 0.000 0.218 416 A C 1.641 179.200 177.584 -0.042 0.000 1.188 416 A CA 3.246 55.259 52.037 -0.040 0.000 0.631 416 A CB -0.676 18.331 19.000 0.012 0.000 0.822 416 A HN -0.350 7.763 8.150 -0.061 0.000 0.447 417 L N -0.632 120.561 121.223 -0.050 0.000 1.929 417 L HA -0.431 3.954 4.340 0.074 0.000 0.229 417 L C 1.589 178.434 176.870 -0.042 0.000 1.086 417 L CA 3.217 58.055 54.840 -0.003 0.000 0.798 417 L CB -1.055 41.003 42.059 -0.001 0.000 0.898 417 L HN -0.074 8.047 8.230 -0.065 0.070 0.436 418 E N -1.066 119.003 120.200 -0.218 0.000 2.331 418 E HA -0.357 3.993 4.350 0.001 0.000 0.199 418 E C 2.652 179.172 176.600 -0.132 0.000 1.008 418 E CA 2.316 58.579 56.400 -0.229 0.000 0.843 418 E CB -0.276 28.916 29.700 -0.846 0.000 0.761 418 E HN -0.423 7.698 8.360 -0.398 0.000 0.507 419 L N 1.148 122.288 121.223 -0.139 0.000 1.925 419 L HA -0.306 3.980 4.340 -0.091 0.000 0.214 419 L C 1.186 178.013 176.870 -0.072 0.000 1.091 419 L CA 3.298 58.082 54.840 -0.093 0.000 0.768 419 L CB -0.108 41.902 42.059 -0.082 0.000 0.887 419 L HN 0.161 8.119 8.230 -0.160 0.176 0.433 420 Q N -1.497 118.267 119.800 -0.060 0.000 2.515 420 Q HA -0.315 3.969 4.340 -0.093 0.000 0.215 420 Q C 2.708 178.632 176.000 -0.127 0.000 0.983 420 Q CA 2.549 58.305 55.803 -0.078 0.000 0.905 420 Q CB -0.466 28.243 28.738 -0.048 0.000 0.961 420 Q HN -0.046 8.113 8.270 -0.045 0.084 0.503 421 L N 0.272 121.457 121.223 -0.063 0.000 2.189 421 L HA 0.111 4.526 4.340 -0.085 -0.126 0.199 421 L C 1.090 177.920 176.870 -0.065 0.000 1.074 421 L CA 1.412 56.247 54.840 -0.007 0.000 0.783 421 L CB 0.420 42.588 42.059 0.182 0.000 0.955 421 L HN 0.190 8.303 8.230 -0.034 0.096 0.460 422 K N -1.921 118.475 120.400 -0.007 0.000 2.555 422 K HA -0.204 4.162 4.320 0.077 0.000 0.193 422 K C 0.910 177.480 176.600 -0.050 0.000 1.032 422 K CA 2.016 58.314 56.287 0.018 0.000 1.004 422 K CB -0.440 32.087 32.500 0.045 0.000 0.804 422 K HN 0.210 8.291 8.250 -0.010 0.163 0.496 423 L N -3.564 117.580 121.223 -0.131 0.000 2.349 423 L HA 0.003 4.294 4.340 -0.081 0.000 0.200 423 L C 1.404 178.145 176.870 -0.216 0.000 1.064 423 L CA 1.567 56.328 54.840 -0.132 0.000 0.821 423 L CB 0.638 42.634 42.059 -0.105 0.000 1.027 423 L HN -0.453 7.569 8.230 -0.168 0.107 0.476 424 N N -2.224 116.212 118.700 -0.439 0.000 2.550 424 N HA -0.108 4.465 4.740 -0.278 0.000 0.186 424 N C -0.754 174.376 175.510 -0.634 0.000 1.110 424 N CA 1.619 54.313 53.050 -0.593 0.000 0.912 424 N CB 0.597 38.609 38.487 -0.791 0.000 0.968 424 N HN -0.629 7.353 8.380 -0.479 0.110 0.448 425 H N -5.003 114.077 119.070 0.015 0.000 3.068 425 H HA 0.263 4.827 4.556 0.014 0.000 0.231 425 H C -2.723 172.621 175.328 0.026 0.000 1.339 425 H CA -2.850 53.209 56.048 0.019 0.000 1.433 425 H CB -0.424 29.351 29.762 0.022 0.000 2.168 425 H HN -0.419 7.634 8.280 -0.415 -0.022 0.623 426 P HA 0.095 4.596 4.420 0.060 -0.045 0.281 426 P C -1.268 176.070 177.300 0.062 0.000 1.286 426 P CA -0.042 63.089 63.100 0.050 0.000 0.772 426 P CB -0.126 31.585 31.700 0.018 0.000 0.862 427 E N 3.771 124.014 120.200 0.071 0.000 2.597 427 E HA -0.037 4.339 4.350 0.044 0.000 0.310 427 E C -1.637 174.996 176.600 0.055 0.000 0.970 427 E CA -0.476 55.958 56.400 0.056 0.000 0.819 427 E CB 1.502 31.235 29.700 0.055 0.000 1.267 427 E HN -0.058 8.352 8.360 0.084 0.000 0.411 428 S N 2.048 117.772 115.700 0.041 0.000 3.914 428 S HA -0.083 4.401 4.470 0.024 0.000 0.638 428 S C -1.546 173.080 174.600 0.044 0.000 1.812 428 S CA 0.294 58.514 58.200 0.033 0.000 1.988 428 S CB 0.088 63.304 63.200 0.028 0.000 0.329 428 S HN 0.170 8.501 8.310 0.034 0.000 1.785 429 S N 2.431 118.150 115.700 0.033 0.000 2.568 429 S HA 0.289 4.801 4.470 0.069 0.000 0.293 429 S C -1.481 173.128 174.600 0.015 0.000 1.089 429 S CA -0.053 58.171 58.200 0.040 0.000 0.945 429 S CB 2.015 65.228 63.200 0.022 0.000 1.077 429 S HN -0.231 8.089 8.310 0.016 0.000 0.485 430 Q N -0.973 118.848 119.800 0.034 0.000 2.370 430 Q HA -0.368 3.914 4.340 -0.097 0.000 0.266 430 Q C 0.125 176.002 176.000 -0.205 0.000 1.094 430 Q CA 0.855 56.555 55.803 -0.172 0.000 0.972 430 Q CB -2.216 26.353 28.738 -0.281 0.000 1.413 430 Q HN 0.531 8.867 8.270 0.111 0.000 0.536 431 L N -2.769 118.480 121.223 0.044 0.000 2.064 431 L HA -0.467 3.880 4.340 0.012 0.000 0.216 431 L C 1.410 178.323 176.870 0.072 0.000 1.077 431 L CA 2.826 57.707 54.840 0.068 0.000 0.766 431 L CB -0.351 41.790 42.059 0.137 0.000 0.890 431 L HN -0.119 8.146 8.230 0.120 0.036 0.435 432 F N -5.947 114.040 119.950 0.061 0.000 2.206 432 F HA -0.340 4.254 4.527 0.113 0.000 0.298 432 F C 0.753 176.587 175.800 0.057 0.000 1.090 432 F CA 1.881 59.929 58.000 0.080 0.000 1.323 432 F CB -1.914 37.130 39.000 0.073 0.000 1.028 432 F HN -0.406 8.237 8.300 0.572 -0.000 0.492 433 A N 0.287 122.330 122.820 -1.295 0.000 2.024 433 A HA -0.300 3.554 4.320 -0.778 0.000 0.220 433 A C 1.647 179.032 177.584 -0.331 0.000 1.164 433 A CA 2.991 54.484 52.037 -0.906 0.000 0.643 433 A CB -1.176 17.267 19.000 -0.929 0.000 0.806 433 A HN -0.237 6.662 8.150 -1.902 0.110 0.451 434 K N -4.469 115.795 120.400 -0.227 0.000 2.354 434 K HA 0.035 4.296 4.320 -0.098 0.000 0.194 434 K C 1.270 177.845 176.600 -0.041 0.000 1.045 434 K CA 1.792 58.015 56.287 -0.106 0.000 1.026 434 K CB 0.635 33.080 32.500 -0.093 0.000 0.866 434 K HN -0.231 7.724 8.250 -0.247 0.147 0.530 435 L N 0.920 122.149 121.223 0.009 0.000 2.209 435 L HA 0.024 4.363 4.340 -0.002 0.000 0.207 435 L C 1.407 178.399 176.870 0.204 0.000 1.094 435 L CA 2.680 57.570 54.840 0.084 0.000 0.790 435 L CB -0.159 41.994 42.059 0.156 0.000 0.932 435 L HN -0.325 7.745 8.230 -0.005 0.157 0.447 436 L N -1.311 120.033 121.223 0.203 0.000 2.095 436 L HA -0.394 4.207 4.340 0.436 0.000 0.204 436 L C 1.811 178.787 176.870 0.177 0.000 1.080 436 L CA 2.512 57.483 54.840 0.218 0.000 0.759 436 L CB -0.590 41.507 42.059 0.063 0.000 0.914 436 L HN 0.882 9.068 8.230 0.111 0.111 0.439 437 Q N -2.829 117.018 119.800 0.078 0.000 2.404 437 Q HA -0.375 4.005 4.340 0.067 0.000 0.214 437 Q C 1.927 177.993 176.000 0.110 0.000 0.992 437 Q CA 2.589 58.431 55.803 0.064 0.000 0.899 437 Q CB -0.968 27.775 28.738 0.009 0.000 0.921 437 Q HN -0.099 8.188 8.270 0.027 0.000 0.453 438 K N -1.143 119.329 120.400 0.120 0.000 2.286 438 K HA -0.261 4.073 4.320 0.024 0.000 0.203 438 K C 2.442 179.287 176.600 0.407 0.000 1.045 438 K CA 1.976 58.327 56.287 0.106 0.000 0.935 438 K CB -0.818 31.498 32.500 -0.307 0.000 0.737 438 K HN -0.796 7.335 8.250 0.117 0.190 0.460 439 M N -2.545 117.288 119.600 0.388 0.000 2.168 439 M HA -0.620 4.132 4.480 0.453 0.000 0.248 439 M C 1.689 178.175 176.300 0.309 0.000 1.086 439 M CA 3.447 58.962 55.300 0.359 0.000 1.070 439 M CB -1.370 31.365 32.600 0.224 0.000 1.332 439 M HN 0.609 8.947 8.290 0.324 0.146 0.399 440 T N -0.991 113.711 114.554 0.245 0.000 2.481 440 T HA -0.581 3.861 4.350 0.154 0.000 0.252 440 T C 2.033 176.892 174.700 0.265 0.000 1.242 440 T CA 3.865 66.083 62.100 0.198 0.000 1.170 440 T CB -0.741 68.209 68.868 0.137 0.000 0.860 440 T HN -0.189 8.164 8.240 0.206 0.011 0.422 441 D N 1.053 121.663 120.400 0.351 0.000 2.265 441 D HA -0.228 4.702 4.640 0.483 0.000 0.208 441 D C 2.480 179.024 176.300 0.406 0.000 0.977 441 D CA 3.116 57.389 54.000 0.456 0.000 0.871 441 D CB -0.737 40.313 40.800 0.417 0.000 0.925 441 D HN -0.273 8.315 8.370 0.363 0.000 0.485 442 L N -0.095 121.289 121.223 0.267 0.000 1.960 442 L HA -0.203 4.065 4.340 -0.120 0.000 0.209 442 L C 1.318 178.239 176.870 0.085 0.000 1.090 442 L CA 2.795 57.686 54.840 0.085 0.000 0.759 442 L CB -0.672 41.529 42.059 0.238 0.000 0.892 442 L HN -0.815 7.506 8.230 0.429 0.167 0.436 443 R N -1.863 118.727 120.500 0.151 0.000 2.276 443 R HA -0.465 3.950 4.340 0.125 0.000 0.243 443 R C 2.402 178.729 176.300 0.044 0.000 1.161 443 R CA 2.909 59.075 56.100 0.111 0.000 1.007 443 R CB -0.422 29.952 30.300 0.123 0.000 0.867 443 R HN 0.451 8.726 8.270 0.202 0.116 0.472 444 Q N -0.961 118.882 119.800 0.072 0.000 1.941 444 Q HA -0.245 4.127 4.340 0.054 0.000 0.201 444 Q C 2.532 178.442 176.000 -0.150 0.000 0.982 444 Q CA 2.795 58.634 55.803 0.059 0.000 0.839 444 Q CB -0.269 28.646 28.738 0.294 0.000 0.904 444 Q HN -0.147 8.135 8.270 0.144 0.074 0.427 445 I N -1.253 119.092 120.570 -0.376 0.000 2.181 445 I HA -0.479 3.428 4.170 -0.734 -0.178 0.247 445 I C 2.397 178.171 176.117 -0.572 0.000 1.081 445 I CA 3.413 64.303 61.300 -0.683 0.000 1.340 445 I CB -0.853 36.611 38.000 -0.894 0.000 1.036 445 I HN -0.480 7.563 8.210 -0.280 0.000 0.417 446 V N -0.161 119.421 119.914 -0.552 0.000 2.214 446 V HA -0.553 3.172 4.120 -0.659 0.000 0.247 446 V C 1.777 177.742 176.094 -0.215 0.000 1.051 446 V CA 4.864 66.908 62.300 -0.428 0.000 1.003 446 V CB -0.863 30.871 31.823 -0.148 0.000 0.635 446 V HN -0.434 7.497 8.190 -0.433 -0.001 0.447 447 T N -0.816 113.671 114.554 -0.112 0.000 2.848 447 T HA -0.526 3.819 4.350 -0.009 0.000 0.269 447 T C 2.338 177.014 174.700 -0.039 0.000 1.081 447 T CA 4.207 66.284 62.100 -0.039 0.000 1.125 447 T CB -0.298 68.566 68.868 -0.007 0.000 0.848 447 T HN -0.556 7.633 8.240 -0.086 0.000 0.503 448 E N 1.531 121.677 120.200 -0.090 0.000 2.042 448 E HA -0.293 4.205 4.350 -0.061 -0.185 0.189 448 E C 1.516 178.138 176.600 0.036 0.000 0.974 448 E CA 3.072 59.426 56.400 -0.077 0.000 0.806 448 E CB 0.091 29.688 29.700 -0.171 0.000 0.769 448 E HN -0.386 7.703 8.360 -0.160 0.174 0.451 449 H N 0.154 119.189 119.070 -0.059 0.000 2.472 449 H HA -0.318 4.525 4.556 0.479 0.000 0.296 449 H C 2.145 177.605 175.328 0.220 0.000 1.120 449 H CA 3.563 59.707 56.048 0.161 0.000 1.250 449 H CB 0.036 29.798 29.762 -0.000 0.000 1.366 449 H HN 0.516 8.594 8.280 -0.040 0.177 0.524 450 V N -0.672 119.400 119.914 0.264 0.000 2.426 450 V HA -0.317 3.965 4.120 0.271 0.000 0.242 450 V C 1.623 177.767 176.094 0.084 0.000 1.036 450 V CA 2.426 64.841 62.300 0.191 0.000 1.044 450 V CB -1.092 30.803 31.823 0.120 0.000 0.688 450 V HN -0.344 7.903 8.190 0.139 0.027 0.462 451 Q N -0.412 119.407 119.800 0.032 0.000 2.290 451 Q HA -0.448 3.873 4.340 -0.031 0.000 0.211 451 Q C 2.908 178.853 176.000 -0.091 0.000 0.991 451 Q CA 3.641 59.422 55.803 -0.036 0.000 0.893 451 Q CB -0.308 28.396 28.738 -0.057 0.000 0.913 451 Q HN -0.338 7.887 8.270 0.033 0.064 0.428 452 L N -1.867 119.309 121.223 -0.080 0.000 2.121 452 L HA -0.161 3.991 4.340 -0.314 0.000 0.200 452 L C 1.473 178.280 176.870 -0.105 0.000 1.077 452 L CA 2.491 57.191 54.840 -0.234 0.000 0.766 452 L CB 0.498 42.111 42.059 -0.744 0.000 0.931 452 L HN -0.250 7.970 8.230 0.034 0.030 0.452 453 L N -2.578 118.748 121.223 0.172 0.000 2.551 453 L HA -0.231 4.054 4.340 -0.092 0.000 0.228 453 L C 1.987 178.796 176.870 -0.101 0.000 1.153 453 L CA 1.977 56.840 54.840 0.039 0.000 0.851 453 L CB -0.075 42.069 42.059 0.141 0.000 0.959 453 L HN -0.663 7.798 8.230 0.385 0.000 0.451 454 Q N -0.030 119.715 119.800 -0.091 0.000 2.200 454 Q HA -0.089 4.102 4.340 -0.248 0.000 0.197 454 Q C 1.933 177.842 176.000 -0.151 0.000 0.953 454 Q CA 3.134 58.850 55.803 -0.143 0.000 0.851 454 Q CB 0.363 29.065 28.738 -0.060 0.000 0.938 454 Q HN 0.977 9.047 8.270 -0.043 0.175 0.488 455 V N -1.111 118.718 119.914 -0.141 0.000 3.078 455 V HA -0.336 3.716 4.120 -0.114 0.000 0.265 455 V C 0.937 176.925 176.094 -0.176 0.000 1.122 455 V CA 2.841 65.054 62.300 -0.144 0.000 1.141 455 V CB -0.211 31.524 31.823 -0.146 0.000 0.735 455 V HN -0.486 7.512 8.190 -0.134 0.111 0.498 456 I N -7.289 113.147 120.570 -0.223 0.000 2.685 456 I HA 0.105 4.271 4.170 -0.229 -0.133 0.251 456 I C 0.466 176.470 176.117 -0.188 0.000 1.102 456 I CA 1.062 62.210 61.300 -0.255 0.000 1.442 456 I CB 0.542 38.282 38.000 -0.433 0.000 1.194 456 I HN -0.657 7.447 8.210 -0.223 -0.029 0.448 457 K N 0.658 120.937 120.400 -0.201 0.000 2.360 457 K HA -0.251 3.996 4.320 -0.122 0.000 0.201 457 K C 1.355 177.858 176.600 -0.161 0.000 1.046 457 K CA 2.724 58.893 56.287 -0.196 0.000 0.940 457 K CB -0.359 31.926 32.500 -0.358 0.000 0.748 457 K HN -0.350 7.643 8.250 -0.222 0.124 0.465 458 K N -4.347 115.965 120.400 -0.146 0.000 2.399 458 K HA 0.061 4.342 4.320 -0.065 0.000 0.196 458 K C 0.289 176.846 176.600 -0.072 0.000 1.103 458 K CA 0.973 57.206 56.287 -0.090 0.000 0.986 458 K CB 1.034 33.486 32.500 -0.080 0.000 0.952 458 K HN -0.414 7.762 8.250 -0.161 -0.022 0.541 459 T N 0.089 114.586 114.554 -0.095 0.000 4.076 459 T HA 0.015 4.327 4.350 -0.063 0.000 0.222 459 T C -1.448 173.185 174.700 -0.111 0.000 1.008 459 T CA -0.291 61.758 62.100 -0.085 0.000 1.486 459 T CB 0.708 69.529 68.868 -0.078 0.000 0.828 459 T HN -0.575 7.367 8.240 -0.124 0.224 0.625 460 E N 1.881 122.016 120.200 -0.109 0.000 2.478 460 E HA -0.166 4.043 4.350 -0.203 0.019 0.262 460 E C 1.002 177.538 176.600 -0.106 0.000 1.243 460 E CA 1.045 57.367 56.400 -0.130 0.000 1.039 460 E CB 0.790 30.444 29.700 -0.077 0.000 0.983 460 E HN -0.260 8.048 8.360 -0.087 0.000 0.479 461 T N -0.568 113.920 114.554 -0.110 0.000 2.915 461 T HA -0.150 4.149 4.350 -0.085 0.000 0.269 461 T C 0.087 174.766 174.700 -0.035 0.000 1.071 461 T CA 2.623 64.678 62.100 -0.076 0.000 1.132 461 T CB 0.652 69.477 68.868 -0.072 0.000 0.878 461 T HN 0.287 8.446 8.240 -0.135 0.000 0.479 462 D N -2.213 118.177 120.400 -0.017 0.000 4.569 462 D HA 0.018 4.654 4.640 -0.006 0.000 0.176 462 D C -1.875 174.438 176.300 0.021 0.000 1.237 462 D CA 0.600 54.601 54.000 0.002 0.000 1.009 462 D CB -0.376 40.428 40.800 0.008 0.000 1.341 462 D HN -0.333 8.012 8.370 -0.016 0.016 0.874 463 M N -0.333 119.280 119.600 0.021 0.000 5.632 463 M HA -0.398 4.107 4.480 0.042 0.000 0.157 463 M C -2.371 173.975 176.300 0.076 0.000 1.214 463 M CA 1.215 56.542 55.300 0.044 0.000 1.190 463 M CB 0.555 33.178 32.600 0.039 0.000 1.066 463 M HN -0.157 8.135 8.290 0.003 0.000 0.190 464 S N -0.787 114.977 115.700 0.106 0.000 4.553 464 S HA 0.099 4.639 4.470 0.117 0.000 0.049 464 S C -2.527 172.181 174.600 0.180 0.000 0.861 464 S CA 0.146 58.431 58.200 0.141 0.000 0.875 464 S CB -0.309 62.988 63.200 0.162 0.000 0.541 464 S HN 0.146 8.517 8.310 0.101 0.000 0.788 465 L N -1.342 119.966 121.223 0.141 0.000 2.341 465 L HA 0.752 5.154 4.340 0.103 0.000 0.254 465 L C -2.065 174.854 176.870 0.083 0.000 1.040 465 L CA -0.754 54.141 54.840 0.092 0.000 0.837 465 L CB 2.598 44.715 42.059 0.095 0.000 1.425 465 L HN -0.693 7.606 8.230 0.114 0.000 0.414 466 H N -3.025 116.101 119.070 0.094 0.000 2.960 466 H HA 0.535 5.125 4.556 0.058 0.000 0.302 466 H C -1.739 173.631 175.328 0.070 0.000 1.515 466 H CA -2.150 53.935 56.048 0.062 0.000 1.431 466 H CB -0.786 28.995 29.762 0.032 0.000 1.890 466 H HN 0.067 7.927 8.280 -0.699 0.000 0.762 467 P HA 0.018 4.503 4.420 0.108 0.000 0.217 467 P C 0.965 178.364 177.300 0.164 0.000 1.154 467 P CA 2.144 65.332 63.100 0.147 0.000 0.841 467 P CB 0.590 32.361 31.700 0.118 0.000 0.788 468 L N -3.658 117.753 121.223 0.314 0.000 2.357 468 L HA -0.283 4.261 4.340 0.150 -0.114 0.220 468 L C 2.360 179.318 176.870 0.146 0.000 1.123 468 L CA 2.874 57.870 54.840 0.259 0.000 0.782 468 L CB -1.069 41.174 42.059 0.308 0.000 0.910 468 L HN -0.388 8.106 8.230 0.440 0.000 0.442 469 L N -3.322 117.905 121.223 0.008 0.000 2.185 469 L HA -0.177 4.168 4.340 0.009 0.000 0.198 469 L C 1.648 178.575 176.870 0.094 0.000 1.079 469 L CA 2.088 56.903 54.840 -0.041 0.000 0.780 469 L CB -0.762 41.153 42.059 -0.241 0.000 0.955 469 L HN -0.723 7.312 8.230 -0.028 0.179 0.462 470 Q N -0.634 119.224 119.800 0.097 0.000 2.268 470 Q HA -0.519 3.980 4.340 0.265 0.000 0.210 470 Q C 2.653 178.747 176.000 0.157 0.000 0.988 470 Q CA 3.690 59.599 55.803 0.176 0.000 0.883 470 Q CB -0.105 28.713 28.738 0.133 0.000 0.911 470 Q HN -0.379 7.919 8.270 0.048 0.000 0.430 471 E N -1.888 118.370 120.200 0.097 0.000 2.033 471 E HA -0.265 4.099 4.350 0.024 0.000 0.189 471 E C 1.683 178.306 176.600 0.038 0.000 0.979 471 E CA 2.389 58.819 56.400 0.050 0.000 0.802 471 E CB 0.060 29.787 29.700 0.045 0.000 0.763 471 E HN -0.057 8.334 8.360 0.094 0.025 0.449 472 I N -1.443 119.170 120.570 0.072 0.000 2.087 472 I HA -0.511 3.675 4.170 0.026 0.000 0.240 472 I C 1.647 177.819 176.117 0.092 0.000 1.054 472 I CA 3.297 64.638 61.300 0.069 0.000 1.311 472 I CB -0.304 37.748 38.000 0.088 0.000 1.024 472 I HN -1.002 7.197 8.210 0.084 0.062 0.402 473 Y N -0.279 120.047 120.300 0.042 0.000 2.097 473 Y HA -0.450 4.135 4.550 0.060 0.000 0.282 473 Y C 0.519 176.431 175.900 0.020 0.000 1.152 473 Y CA 1.880 60.009 58.100 0.049 0.000 1.136 473 Y CB -0.096 38.407 38.460 0.071 0.000 0.975 473 Y HN -0.517 7.945 8.280 0.302 0.000 0.498 474 K N -0.768 119.361 120.400 -0.452 0.000 2.457 474 K HA -0.232 3.534 4.320 -0.923 0.000 0.269 474 K C -0.491 175.922 176.600 -0.312 0.000 0.969 474 K CA 0.777 56.746 56.287 -0.530 0.000 0.921 474 K CB 0.229 32.583 32.500 -0.244 0.000 0.940 474 K HN -0.621 7.558 8.250 -0.119 0.000 0.517 475 D N -1.625 118.622 120.400 -0.256 0.000 2.294 475 D HA -0.187 4.346 4.640 -0.178 0.000 0.250 475 D C 0.082 176.321 176.300 -0.102 0.000 1.058 475 D CA -0.114 53.790 54.000 -0.159 0.000 0.950 475 D CB 1.597 42.335 40.800 -0.104 0.000 1.158 475 D HN 0.028 8.240 8.370 -0.263 0.000 0.453 476 L N 0.000 121.177 121.223 -0.077 0.000 2.949 476 L HA 0.000 4.312 4.340 -0.046 0.000 0.249 476 L CA 0.000 54.809 54.840 -0.051 0.000 0.813 476 L CB 0.000 42.038 42.059 -0.036 0.000 0.961 476 L HN 0.000 8.181 8.230 -0.082 0.000 0.502