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 3hx0_1_A DATA FIRST_RESID 246 DATA SEQUENCE SQKATNHNLH ITEKLEVLAK AYSVQGDKWR AAGYAKAINA LKSFHKPVTS DATA SEQUENCE YQEACSIPGI GKRMAEKIIE ILESGHLRKL DHISESVPVL ELFSNIWGAG DATA SEQUENCE TKTAQMWYQQ GFRSLEDIRS QASLTTQQAI GLKHYSDFLE RMPREEATEI DATA SEQUENCE EQTVQKAAQA FNSGLLCVAC GSYRRGKATC GDVDVLITHP DGRSHRGIFS DATA SEQUENCE RLLDSLRQEG FLTDDLVSQE ENGQQQKYLG VCRLPGPGRR HRRLDIIVVP DATA SEQUENCE YSEFACALLY FTGSAAFNAS MRALAKTKGM SLSEHALSTA VVRNTHGAKV DATA SEQUENCE GPGRVLPTPT EKDVFRLLGL PYREPAERDW 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 246 S HA 0.000 4.470 4.470 0.000 0.000 0.327 246 S C 0.000 174.604 174.600 0.006 0.000 1.055 246 S CA 0.000 58.219 58.200 0.032 0.000 1.107 246 S CB 0.000 63.194 63.200 -0.011 0.000 0.593 247 Q N 0.574 120.303 119.800 -0.119 0.000 1.967 247 Q HA -0.107 4.232 4.340 -0.001 0.000 0.210 247 Q C 2.275 178.207 176.000 -0.113 0.000 1.005 247 Q CA 2.354 58.021 55.803 -0.226 0.000 0.862 247 Q CB -0.804 27.582 28.738 -0.587 0.000 0.939 247 Q HN 0.899 9.169 8.270 0.000 0.000 0.417 248 K N 0.849 121.172 120.400 -0.128 0.000 2.587 248 K HA 0.031 4.351 4.320 -0.001 0.000 0.196 248 K C 0.747 177.318 176.600 -0.048 0.000 1.046 248 K CA 1.245 57.480 56.287 -0.087 0.000 0.930 248 K CB -1.227 31.219 32.500 -0.090 0.000 0.771 248 K HN 0.447 8.697 8.250 0.000 0.000 0.492 249 A N -0.099 122.704 122.820 -0.028 0.000 2.242 249 A HA 0.596 4.915 4.320 -0.001 0.000 0.304 249 A C 0.557 178.101 177.584 -0.068 0.000 1.100 249 A CA -0.098 51.922 52.037 -0.029 0.000 0.860 249 A CB 0.501 19.505 19.000 0.007 0.000 1.168 249 A HN 0.312 8.462 8.150 0.000 0.000 0.503 250 T N 1.707 116.172 114.554 -0.148 0.000 2.913 250 T HA 0.105 4.455 4.350 -0.001 0.000 0.297 250 T C 0.521 175.021 174.700 -0.334 0.000 1.029 250 T CA -0.220 61.757 62.100 -0.204 0.000 1.104 250 T CB 0.107 68.856 68.868 -0.199 0.000 0.964 250 T HN 0.581 8.821 8.240 0.000 0.000 0.532 251 N N 1.863 120.471 118.700 -0.155 0.000 2.421 251 N HA -0.037 4.703 4.740 -0.001 0.000 0.260 251 N C 0.882 176.355 175.510 -0.061 0.000 1.173 251 N CA 0.017 53.021 53.050 -0.076 0.000 0.960 251 N CB 0.164 38.659 38.487 0.013 0.000 1.273 251 N HN 0.541 8.921 8.380 0.000 0.000 0.497 252 H N 1.853 120.988 119.070 0.108 0.000 2.546 252 H HA 0.074 4.630 4.556 -0.001 0.000 0.277 252 H C -0.009 175.419 175.328 0.166 0.000 1.004 252 H CA 0.646 56.767 56.048 0.123 0.000 1.231 252 H CB 0.486 30.309 29.762 0.102 0.000 1.382 252 H HN 0.541 8.821 8.280 0.000 0.000 0.580 253 N N 0.755 119.566 118.700 0.186 0.000 2.480 253 N HA -0.001 4.739 4.740 -0.001 0.000 0.281 253 N C 1.394 176.848 175.510 -0.093 0.000 1.381 253 N CA -0.057 52.992 53.050 -0.000 0.000 0.903 253 N CB 0.858 39.314 38.487 -0.051 0.000 1.274 253 N HN 0.128 8.508 8.380 0.000 0.000 0.505 254 L N 2.391 123.673 121.223 0.097 0.000 2.013 254 L HA -0.218 4.121 4.340 -0.001 0.000 0.212 254 L C 2.529 179.439 176.870 0.067 0.000 1.073 254 L CA 2.074 56.966 54.840 0.086 0.000 0.753 254 L CB -0.647 41.488 42.059 0.127 0.000 0.890 254 L HN 0.392 8.622 8.230 0.000 0.000 0.432 255 H N -1.126 117.970 119.070 0.044 0.000 2.457 255 H HA -0.165 4.390 4.556 -0.001 0.000 0.297 255 H C 2.186 177.538 175.328 0.040 0.000 1.092 255 H CA 2.026 58.099 56.048 0.042 0.000 1.309 255 H CB -0.957 28.832 29.762 0.045 0.000 1.382 255 H HN 0.479 8.759 8.280 0.000 0.000 0.535 256 I N 1.666 121.990 120.570 -0.410 0.000 2.206 256 I HA -0.195 3.974 4.170 -0.001 0.000 0.239 256 I C 2.860 178.916 176.117 -0.102 0.000 1.078 256 I CA 1.628 62.779 61.300 -0.249 0.000 1.367 256 I CB -0.500 37.311 38.000 -0.315 0.000 1.078 256 I HN 0.359 8.569 8.210 0.000 0.000 0.413 257 T N -1.273 113.225 114.554 -0.095 0.000 2.759 257 T HA -0.199 4.151 4.350 -0.001 0.000 0.269 257 T C 1.594 176.290 174.700 -0.007 0.000 1.042 257 T CA 1.399 63.475 62.100 -0.040 0.000 1.140 257 T CB -0.616 68.230 68.868 -0.038 0.000 0.864 257 T HN 0.365 8.605 8.240 0.000 0.000 0.455 258 E N 1.450 121.652 120.200 0.004 0.000 2.086 258 E HA -0.220 4.130 4.350 -0.001 0.000 0.200 258 E C 2.368 178.980 176.600 0.021 0.000 1.012 258 E CA 1.748 58.162 56.400 0.024 0.000 0.812 258 E CB -0.168 29.561 29.700 0.048 0.000 0.743 258 E HN 0.641 9.001 8.360 0.000 0.000 0.453 259 K N 0.403 120.815 120.400 0.021 0.000 2.021 259 K HA -0.036 4.284 4.320 -0.001 0.000 0.205 259 K C 2.298 178.907 176.600 0.015 0.000 1.047 259 K CA 0.769 57.065 56.287 0.016 0.000 0.943 259 K CB -0.166 32.345 32.500 0.017 0.000 0.725 259 K HN 0.051 8.301 8.250 0.000 0.000 0.439 260 L N 1.310 122.558 121.223 0.042 0.000 2.081 260 L HA -0.229 4.111 4.340 -0.001 0.000 0.212 260 L C 2.524 179.429 176.870 0.058 0.000 1.080 260 L CA 1.164 56.072 54.840 0.114 0.000 0.754 260 L CB -0.430 41.718 42.059 0.150 0.000 0.893 260 L HN 0.224 8.454 8.230 0.000 0.000 0.433 261 E N 0.234 120.449 120.200 0.025 0.000 2.160 261 E HA -0.172 4.178 4.350 -0.001 0.000 0.195 261 E C 2.040 178.619 176.600 -0.036 0.000 0.991 261 E CA 1.191 57.592 56.400 0.000 0.000 0.810 261 E CB -0.117 29.586 29.700 0.004 0.000 0.742 261 E HN 0.256 8.616 8.360 0.000 0.000 0.466 262 V N 0.419 120.308 119.914 -0.042 0.000 2.343 262 V HA -0.232 3.888 4.120 -0.001 0.000 0.247 262 V C 2.429 178.442 176.094 -0.136 0.000 1.051 262 V CA 1.622 63.880 62.300 -0.068 0.000 1.036 262 V CB -0.453 31.339 31.823 -0.052 0.000 0.654 262 V HN 0.300 8.490 8.190 0.000 0.000 0.451 263 L N -0.133 120.979 121.223 -0.185 0.000 2.027 263 L HA -0.112 4.228 4.340 -0.001 0.000 0.206 263 L C 2.787 179.444 176.870 -0.356 0.000 1.074 263 L CA 1.417 56.050 54.840 -0.345 0.000 0.745 263 L CB -0.799 40.999 42.059 -0.435 0.000 0.898 263 L HN 0.352 8.582 8.230 0.000 0.000 0.433 264 A N 0.419 123.049 122.820 -0.317 0.000 1.884 264 A HA -0.296 4.024 4.320 -0.001 0.000 0.219 264 A C 2.300 179.832 177.584 -0.087 0.000 1.197 264 A CA 2.218 54.152 52.037 -0.171 0.000 0.637 264 A CB -0.512 18.466 19.000 -0.037 0.000 0.827 264 A HN 0.353 8.503 8.150 0.000 0.000 0.450 265 K N -0.599 119.750 120.400 -0.085 0.000 2.057 265 K HA -0.040 4.279 4.320 -0.001 0.000 0.207 265 K C 2.389 178.938 176.600 -0.086 0.000 1.049 265 K CA 1.011 57.260 56.287 -0.063 0.000 0.931 265 K CB -0.380 32.091 32.500 -0.049 0.000 0.714 265 K HN 0.474 8.724 8.250 0.000 0.000 0.440 266 A N 1.199 123.929 122.820 -0.150 0.000 1.841 266 A HA -0.210 4.110 4.320 -0.001 0.000 0.216 266 A C 1.966 179.441 177.584 -0.182 0.000 1.199 266 A CA 1.552 53.463 52.037 -0.211 0.000 0.621 266 A CB -1.087 17.707 19.000 -0.343 0.000 0.835 266 A HN 0.268 8.418 8.150 0.000 0.000 0.445 267 Y N 0.354 120.560 120.300 -0.156 0.000 2.315 267 Y HA -0.167 4.383 4.550 -0.001 0.000 0.288 267 Y C 3.144 178.985 175.900 -0.098 0.000 1.154 267 Y CA 1.141 59.166 58.100 -0.125 0.000 1.229 267 Y CB -0.644 37.727 38.460 -0.148 0.000 0.980 267 Y HN 0.379 8.659 8.280 0.000 0.000 0.540 268 S N -0.242 115.484 115.700 0.044 0.000 2.343 268 S HA -0.166 4.303 4.470 -0.001 0.000 0.219 268 S C 2.328 176.913 174.600 -0.025 0.000 1.033 268 S CA 1.766 59.962 58.200 -0.008 0.000 1.014 268 S CB -0.922 62.261 63.200 -0.029 0.000 0.915 268 S HN 0.323 8.633 8.310 0.000 0.000 0.435 269 V N 0.331 120.225 119.914 -0.033 0.000 2.469 269 V HA -0.143 3.977 4.120 -0.001 0.000 0.251 269 V C 2.111 178.180 176.094 -0.042 0.000 1.064 269 V CA 2.076 64.354 62.300 -0.036 0.000 1.066 269 V CB -1.321 30.477 31.823 -0.042 0.000 0.667 269 V HN 0.532 8.722 8.190 0.000 0.000 0.461 270 Q N 0.809 120.585 119.800 -0.040 0.000 2.437 270 Q HA 0.206 4.545 4.340 -0.001 0.000 0.210 270 Q C 1.919 177.914 176.000 -0.009 0.000 0.972 270 Q CA 0.953 56.736 55.803 -0.033 0.000 0.903 270 Q CB 0.057 28.785 28.738 -0.018 0.000 0.967 270 Q HN 0.973 9.243 8.270 0.000 0.000 0.486 271 G N 0.799 109.593 108.800 -0.010 0.000 2.213 271 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.226 271 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.226 271 G C 0.077 174.971 174.900 -0.011 0.000 0.992 271 G CA 0.036 45.125 45.100 -0.018 0.000 0.632 271 G HN 0.358 8.648 8.290 0.000 0.000 0.511 272 D N 2.006 122.425 120.400 0.031 0.000 2.598 272 D HA 0.463 5.102 4.640 -0.001 0.000 0.231 272 D C 1.896 178.182 176.300 -0.022 0.000 1.127 272 D CA 1.150 55.172 54.000 0.038 0.000 1.126 272 D CB 0.099 40.956 40.800 0.096 0.000 1.124 272 D HN 0.698 9.068 8.370 0.000 0.000 0.485 273 K N 1.746 122.076 120.400 -0.116 0.000 1.987 273 K HA -0.207 4.113 4.320 -0.001 0.000 0.216 273 K C 1.910 178.325 176.600 -0.308 0.000 1.051 273 K CA 1.590 57.697 56.287 -0.300 0.000 0.942 273 K CB -1.421 30.750 32.500 -0.549 0.000 0.722 273 K HN 0.515 8.765 8.250 0.000 0.000 0.444 274 W N 0.168 121.456 121.300 -0.021 0.000 2.358 274 W HA -0.029 4.631 4.660 -0.001 0.000 0.303 274 W C 2.686 179.182 176.519 -0.039 0.000 1.208 274 W CA 1.300 58.628 57.345 -0.029 0.000 1.274 274 W CB -0.066 29.372 29.460 -0.036 0.000 1.138 274 W HN 0.355 8.535 8.180 0.000 0.000 0.515 275 R N 0.878 121.454 120.500 0.126 0.000 2.091 275 R HA -0.189 4.150 4.340 -0.001 0.000 0.238 275 R C 2.245 178.592 176.300 0.079 0.000 1.136 275 R CA 1.980 58.077 56.100 -0.004 0.000 0.959 275 R CB -0.640 29.492 30.300 -0.280 0.000 0.856 275 R HN 0.135 8.405 8.270 0.000 0.000 0.437 276 A N 0.551 123.394 122.820 0.039 0.000 1.933 276 A HA -0.085 4.235 4.320 -0.001 0.000 0.218 276 A C 2.351 179.996 177.584 0.101 0.000 1.175 276 A CA 1.601 53.685 52.037 0.078 0.000 0.628 276 A CB -0.755 18.257 19.000 0.021 0.000 0.814 276 A HN 0.557 8.707 8.150 0.000 0.000 0.444 277 A N -0.368 122.486 122.820 0.058 0.000 1.933 277 A HA 0.110 4.430 4.320 -0.001 0.000 0.218 277 A C 2.405 180.044 177.584 0.091 0.000 1.175 277 A CA 1.940 54.014 52.037 0.061 0.000 0.628 277 A CB -1.394 17.661 19.000 0.092 0.000 0.814 277 A HN 0.713 8.863 8.150 0.000 0.000 0.444 278 G N -1.391 107.476 108.800 0.112 0.000 2.459 278 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.217 278 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.217 278 G C 1.462 176.352 174.900 -0.017 0.000 1.183 278 G CA 1.279 46.395 45.100 0.027 0.000 0.776 278 G HN 0.521 8.811 8.290 0.000 0.000 0.552 279 Y N 1.403 121.675 120.300 -0.046 0.000 2.128 279 Y HA -0.062 4.488 4.550 -0.001 0.000 0.284 279 Y C 3.247 179.102 175.900 -0.076 0.000 1.154 279 Y CA 1.140 59.211 58.100 -0.048 0.000 1.149 279 Y CB -0.650 37.807 38.460 -0.005 0.000 0.976 279 Y HN 0.271 8.551 8.280 0.000 0.000 0.505 280 A N 0.187 123.069 122.820 0.104 0.000 1.903 280 A HA -0.352 3.967 4.320 -0.001 0.000 0.219 280 A C 2.269 179.788 177.584 -0.108 0.000 1.191 280 A CA 2.409 54.443 52.037 -0.005 0.000 0.638 280 A CB -0.863 18.135 19.000 -0.002 0.000 0.823 280 A HN 0.482 8.632 8.150 0.000 0.000 0.451 281 K N -0.593 119.748 120.400 -0.099 0.000 2.002 281 K HA -0.111 4.208 4.320 -0.001 0.000 0.209 281 K C 2.236 178.700 176.600 -0.226 0.000 1.048 281 K CA 1.380 57.566 56.287 -0.168 0.000 0.930 281 K CB -0.399 32.042 32.500 -0.098 0.000 0.714 281 K HN 0.377 8.627 8.250 0.000 0.000 0.438 282 A N 1.600 124.310 122.820 -0.183 0.000 1.865 282 A HA -0.180 4.140 4.320 -0.001 0.000 0.217 282 A C 2.131 179.589 177.584 -0.211 0.000 1.191 282 A CA 1.821 53.737 52.037 -0.202 0.000 0.623 282 A CB -0.740 18.129 19.000 -0.218 0.000 0.826 282 A HN 0.388 8.538 8.150 0.000 0.000 0.444 283 I N 0.281 120.748 120.570 -0.172 0.000 2.118 283 I HA -0.359 3.810 4.170 -0.001 0.000 0.241 283 I C 2.175 178.120 176.117 -0.286 0.000 1.070 283 I CA 1.682 62.883 61.300 -0.165 0.000 1.327 283 I CB -0.676 37.264 38.000 -0.100 0.000 1.034 283 I HN 0.370 8.580 8.210 0.000 0.000 0.405 284 N N 1.174 119.579 118.700 -0.492 0.000 2.149 284 N HA -0.171 4.568 4.740 -0.001 0.000 0.188 284 N C 1.885 176.952 175.510 -0.740 0.000 1.019 284 N CA 1.679 54.105 53.050 -1.039 0.000 0.857 284 N CB -0.472 36.962 38.487 -1.755 0.000 0.997 284 N HN 0.426 8.806 8.380 0.000 0.000 0.426 285 A N 1.657 124.217 122.820 -0.434 0.000 1.877 285 A HA -0.081 4.239 4.320 -0.001 0.000 0.216 285 A C 2.451 179.988 177.584 -0.078 0.000 1.186 285 A CA 1.009 52.938 52.037 -0.181 0.000 0.620 285 A CB -0.815 18.078 19.000 -0.178 0.000 0.822 285 A HN 0.195 8.345 8.150 0.000 0.000 0.443 286 L N -0.643 120.498 121.223 -0.135 0.000 2.017 286 L HA -0.237 4.103 4.340 -0.001 0.000 0.208 286 L C 2.620 179.523 176.870 0.056 0.000 1.073 286 L CA 1.905 56.701 54.840 -0.073 0.000 0.745 286 L CB -0.553 41.437 42.059 -0.116 0.000 0.894 286 L HN 0.360 8.590 8.230 0.000 0.000 0.432 287 K N 0.194 120.603 120.400 0.015 0.000 2.059 287 K HA -0.201 4.118 4.320 -0.001 0.000 0.212 287 K C 2.036 178.775 176.600 0.231 0.000 1.050 287 K CA 1.813 58.164 56.287 0.107 0.000 0.927 287 K CB -0.457 32.107 32.500 0.107 0.000 0.714 287 K HN 0.415 8.665 8.250 0.000 0.000 0.447 288 S N 0.812 116.717 115.700 0.342 0.000 2.671 288 S HA 0.039 4.509 4.470 -0.001 0.000 0.220 288 S C 0.217 175.032 174.600 0.358 0.000 0.951 288 S CA -0.276 58.165 58.200 0.402 0.000 0.932 288 S CB -0.281 63.297 63.200 0.631 0.000 0.777 288 S HN 0.100 8.410 8.310 0.000 0.000 0.508 289 F N 3.033 123.060 119.950 0.129 0.000 2.467 289 F HA 0.321 4.847 4.527 -0.001 0.000 0.362 289 F C 1.627 177.496 175.800 0.114 0.000 1.090 289 F CA -1.237 56.802 58.000 0.064 0.000 1.202 289 F CB 0.658 39.640 39.000 -0.030 0.000 1.113 289 F HN 0.422 8.722 8.300 0.000 0.000 0.541 290 H N 3.230 122.118 119.070 -0.303 0.000 2.496 290 H HA 0.069 4.625 4.556 -0.001 0.000 0.296 290 H C 0.256 175.427 175.328 -0.262 0.000 1.107 290 H CA 1.741 57.657 56.048 -0.221 0.000 1.263 290 H CB -0.500 29.079 29.762 -0.306 0.000 1.369 290 H HN 0.465 8.745 8.280 0.000 0.000 0.541 291 K N 0.301 120.223 120.400 -0.797 0.000 2.499 291 K HA 0.536 4.856 4.320 -0.001 0.000 0.277 291 K C -3.156 173.384 176.600 -0.100 0.000 1.025 291 K CA -1.665 54.327 56.287 -0.493 0.000 0.900 291 K CB 0.376 32.620 32.500 -0.427 0.000 1.494 291 K HN 0.201 8.451 8.250 0.000 0.000 0.442 292 P HA 0.526 4.946 4.420 0.000 0.000 0.285 292 P C -0.056 177.351 177.300 0.177 0.000 1.259 292 P CA -0.209 62.995 63.100 0.173 0.000 0.794 292 P CB 0.747 32.551 31.700 0.172 0.000 0.940 293 V N 2.049 122.062 119.914 0.164 0.000 2.637 293 V HA 0.436 4.555 4.120 -0.001 0.000 0.296 293 V C 1.519 177.665 176.094 0.088 0.000 1.046 293 V CA 1.366 63.718 62.300 0.087 0.000 1.066 293 V CB -0.500 31.295 31.823 -0.047 0.000 0.968 293 V HN 0.789 8.979 8.190 0.000 0.000 0.483 294 T N 1.705 116.306 114.554 0.078 0.000 2.966 294 T HA 0.519 4.869 4.350 -0.001 0.000 0.254 294 T C 0.833 175.575 174.700 0.070 0.000 0.961 294 T CA 0.859 63.007 62.100 0.080 0.000 0.915 294 T CB 0.039 68.953 68.868 0.076 0.000 1.186 294 T HN 1.428 9.668 8.240 0.000 0.000 0.505 295 S N -1.212 114.525 115.700 0.061 0.000 2.599 295 S HA 0.562 5.032 4.470 -0.001 0.000 0.294 295 S C 0.588 175.235 174.600 0.078 0.000 1.094 295 S CA -0.671 57.577 58.200 0.079 0.000 0.931 295 S CB 1.257 64.504 63.200 0.078 0.000 1.093 295 S HN 0.240 8.550 8.310 0.000 0.000 0.488 296 Y N 1.488 121.783 120.300 -0.008 0.000 2.145 296 Y HA -0.089 4.461 4.550 -0.001 0.000 0.286 296 Y C 3.102 178.984 175.900 -0.030 0.000 1.145 296 Y CA 3.060 61.146 58.100 -0.022 0.000 1.148 296 Y CB -1.078 37.372 38.460 -0.016 0.000 0.981 296 Y HN 0.868 9.148 8.280 0.000 0.000 0.507 297 Q N 0.877 120.741 119.800 0.106 0.000 2.050 297 Q HA -0.269 4.071 4.340 -0.001 0.000 0.202 297 Q C 2.177 178.133 176.000 -0.074 0.000 0.980 297 Q CA 1.999 57.810 55.803 0.014 0.000 0.840 297 Q CB -1.196 27.590 28.738 0.080 0.000 0.898 297 Q HN 0.781 9.051 8.270 0.000 0.000 0.424 298 E N -0.337 119.841 120.200 -0.038 0.000 2.130 298 E HA -0.143 4.206 4.350 -0.001 0.000 0.196 298 E C 2.157 178.654 176.600 -0.173 0.000 0.998 298 E CA 1.310 57.681 56.400 -0.048 0.000 0.806 298 E CB -0.305 29.401 29.700 0.011 0.000 0.738 298 E HN 0.662 9.022 8.360 0.000 0.000 0.459 299 A N 0.261 122.942 122.820 -0.232 0.000 1.898 299 A HA -0.158 4.162 4.320 -0.001 0.000 0.216 299 A C 2.400 179.792 177.584 -0.319 0.000 1.181 299 A CA 1.251 53.097 52.037 -0.318 0.000 0.620 299 A CB -0.748 18.059 19.000 -0.320 0.000 0.819 299 A HN 0.546 8.696 8.150 0.000 0.000 0.442 300 C N 0.628 119.730 119.300 -0.331 0.000 2.422 300 C HA -0.031 4.428 4.460 -0.001 0.000 0.286 300 C C 3.095 177.983 174.990 -0.170 0.000 1.412 300 C CA 1.185 60.042 59.018 -0.269 0.000 1.786 300 C CB -1.525 26.054 27.740 -0.269 0.000 1.835 300 C HN 0.775 9.005 8.230 0.000 0.000 0.533 301 S N -0.001 115.609 115.700 -0.150 0.000 2.496 301 S HA 0.181 4.650 4.470 -0.001 0.000 0.224 301 S C 0.413 174.955 174.600 -0.097 0.000 0.996 301 S CA 0.302 58.451 58.200 -0.084 0.000 0.927 301 S CB -0.453 62.731 63.200 -0.027 0.000 0.774 301 S HN 0.613 8.923 8.310 0.000 0.000 0.524 302 I N 4.577 125.031 120.570 -0.193 0.000 2.322 302 I HA 0.260 4.430 4.170 -0.001 0.000 0.292 302 I C -2.260 173.770 176.117 -0.144 0.000 1.060 302 I CA -2.495 58.681 61.300 -0.207 0.000 1.309 302 I CB 0.825 38.581 38.000 -0.406 0.000 1.415 302 I HN 0.047 8.257 8.210 0.000 0.000 0.492 303 P HA 0.023 4.443 4.420 0.000 0.000 0.261 303 P C 0.721 177.970 177.300 -0.085 0.000 1.203 303 P CA 0.654 63.717 63.100 -0.062 0.000 0.767 303 P CB 0.825 32.514 31.700 -0.017 0.000 0.785 304 G N 3.107 111.845 108.800 -0.104 0.000 2.260 304 G HA2 -0.139 3.820 3.960 -0.001 0.000 0.179 304 G HA3 -0.139 3.820 3.960 -0.001 0.000 0.179 304 G C -0.119 174.685 174.900 -0.161 0.000 1.002 304 G CA -0.488 44.539 45.100 -0.121 0.000 0.677 304 G HN 0.488 8.778 8.290 0.000 0.000 0.486 305 I N 1.894 122.360 120.570 -0.174 0.000 2.389 305 I HA 0.612 4.782 4.170 -0.001 0.000 0.288 305 I C 0.850 176.852 176.117 -0.191 0.000 0.999 305 I CA -0.478 60.698 61.300 -0.207 0.000 1.129 305 I CB 1.676 39.529 38.000 -0.244 0.000 1.288 305 I HN 0.154 8.364 8.210 0.000 0.000 0.444 306 G N 4.246 112.935 108.800 -0.185 0.000 2.667 306 G HA2 0.373 4.332 3.960 -0.001 0.000 0.310 306 G HA3 0.373 4.332 3.960 -0.001 0.000 0.310 306 G C 0.416 175.223 174.900 -0.155 0.000 1.259 306 G CA -0.500 44.509 45.100 -0.151 0.000 1.019 306 G HN 0.585 8.875 8.290 0.000 0.000 0.496 307 K N -0.406 119.937 120.400 -0.094 0.000 2.000 307 K HA -0.185 4.135 4.320 -0.001 0.000 0.218 307 K C 2.694 179.299 176.600 0.008 0.000 1.053 307 K CA 1.692 57.970 56.287 -0.015 0.000 0.946 307 K CB -0.178 32.364 32.500 0.069 0.000 0.723 307 K HN 0.369 8.619 8.250 0.000 0.000 0.446 308 R N 0.228 120.719 120.500 -0.014 0.000 2.112 308 R HA -0.213 4.127 4.340 -0.001 0.000 0.242 308 R C 2.398 178.671 176.300 -0.045 0.000 1.137 308 R CA 1.981 58.073 56.100 -0.013 0.000 0.944 308 R CB -0.488 29.789 30.300 -0.038 0.000 0.857 308 R HN 0.208 8.478 8.270 0.000 0.000 0.435 309 M N 0.744 120.267 119.600 -0.129 0.000 2.117 309 M HA -0.070 4.410 4.480 -0.001 0.000 0.262 309 M C 2.213 178.435 176.300 -0.131 0.000 1.065 309 M CA 1.789 56.981 55.300 -0.179 0.000 1.114 309 M CB -0.434 32.010 32.600 -0.260 0.000 1.361 309 M HN 0.192 8.482 8.290 0.000 0.000 0.408 310 A N -0.168 122.551 122.820 -0.170 0.000 1.902 310 A HA -0.123 4.196 4.320 -0.001 0.000 0.217 310 A C 2.176 179.784 177.584 0.040 0.000 1.181 310 A CA 2.597 54.491 52.037 -0.238 0.000 0.623 310 A CB -1.631 16.949 19.000 -0.701 0.000 0.818 310 A HN 0.616 8.766 8.150 0.000 0.000 0.443 311 E N 0.398 120.721 120.200 0.205 0.000 2.171 311 E HA -0.269 4.081 4.350 -0.001 0.000 0.197 311 E C 1.946 178.617 176.600 0.119 0.000 0.997 311 E CA 1.926 58.474 56.400 0.247 0.000 0.810 311 E CB -0.735 29.062 29.700 0.162 0.000 0.738 311 E HN 0.809 9.169 8.360 0.000 0.000 0.467 312 K N -0.746 119.692 120.400 0.062 0.000 2.167 312 K HA 0.178 4.497 4.320 -0.001 0.000 0.203 312 K C 2.321 178.939 176.600 0.029 0.000 1.052 312 K CA 1.015 57.327 56.287 0.042 0.000 0.956 312 K CB -0.044 32.483 32.500 0.044 0.000 0.735 312 K HN 0.404 8.654 8.250 0.000 0.000 0.451 313 I N 1.361 121.937 120.570 0.009 0.000 2.252 313 I HA -0.262 3.907 4.170 -0.001 0.000 0.245 313 I C 2.963 179.103 176.117 0.039 0.000 1.102 313 I CA 1.176 62.471 61.300 -0.009 0.000 1.385 313 I CB -0.677 37.283 38.000 -0.067 0.000 1.064 313 I HN 0.102 8.312 8.210 0.000 0.000 0.414 314 I N 0.465 121.093 120.570 0.096 0.000 2.286 314 I HA -0.278 3.892 4.170 -0.001 0.000 0.248 314 I C 2.548 178.713 176.117 0.080 0.000 1.115 314 I CA 2.384 63.758 61.300 0.123 0.000 1.392 314 I CB -1.163 36.962 38.000 0.209 0.000 1.065 314 I HN 0.391 8.601 8.210 0.000 0.000 0.418 315 E N 0.321 120.561 120.200 0.066 0.000 2.031 315 E HA -0.208 4.141 4.350 -0.001 0.000 0.193 315 E C 2.234 178.866 176.600 0.054 0.000 0.994 315 E CA 1.811 58.241 56.400 0.049 0.000 0.800 315 E CB -0.258 29.462 29.700 0.033 0.000 0.752 315 E HN 0.763 9.123 8.360 0.000 0.000 0.447 316 I N 0.955 121.555 120.570 0.049 0.000 2.179 316 I HA -0.284 3.885 4.170 -0.001 0.000 0.242 316 I C 2.463 178.640 176.117 0.100 0.000 1.088 316 I CA 0.928 62.268 61.300 0.067 0.000 1.357 316 I CB -0.251 37.776 38.000 0.045 0.000 1.051 316 I HN 0.227 8.437 8.210 0.000 0.000 0.409 317 L N 0.141 121.421 121.223 0.095 0.000 2.353 317 L HA -0.174 4.166 4.340 -0.001 0.000 0.220 317 L C 2.076 179.001 176.870 0.093 0.000 1.133 317 L CA 1.289 56.199 54.840 0.117 0.000 0.798 317 L CB -0.326 41.794 42.059 0.101 0.000 0.922 317 L HN 0.329 8.559 8.230 0.000 0.000 0.445 318 E N -1.448 118.798 120.200 0.077 0.000 2.372 318 E HA -0.016 4.333 4.350 -0.001 0.000 0.201 318 E C 1.722 178.358 176.600 0.060 0.000 0.938 318 E CA 0.788 57.225 56.400 0.062 0.000 0.944 318 E CB 0.485 30.215 29.700 0.051 0.000 0.937 318 E HN 0.365 8.725 8.360 0.000 0.000 0.495 319 S N -1.370 114.373 115.700 0.072 0.000 2.666 319 S HA 0.265 4.735 4.470 -0.001 0.000 0.239 319 S C 1.568 176.232 174.600 0.106 0.000 1.031 319 S CA 0.264 58.512 58.200 0.080 0.000 1.015 319 S CB 0.952 64.202 63.200 0.084 0.000 0.981 319 S HN 0.265 8.575 8.310 0.000 0.000 0.547 320 G N 1.049 109.915 108.800 0.110 0.000 2.186 320 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.266 320 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.266 320 G C -0.058 174.953 174.900 0.184 0.000 0.982 320 G CA 0.977 46.154 45.100 0.129 0.000 0.670 320 G HN 1.004 9.294 8.290 0.000 0.000 0.533 321 H N -1.896 117.199 119.070 0.042 0.000 2.954 321 H HA 0.711 5.267 4.556 -0.001 0.000 0.361 321 H C -0.192 175.154 175.328 0.031 0.000 1.122 321 H CA 0.332 56.398 56.048 0.030 0.000 1.217 321 H CB 0.986 30.759 29.762 0.018 0.000 1.776 321 H HN 0.871 9.151 8.280 0.000 0.000 0.533 322 L N 2.613 123.509 121.223 -0.546 0.000 2.289 322 L HA 0.792 5.132 4.340 -0.001 0.000 0.285 322 L C 1.286 177.814 176.870 -0.569 0.000 1.049 322 L CA 0.064 54.675 54.840 -0.381 0.000 0.804 322 L CB -0.323 41.622 42.059 -0.190 0.000 1.195 322 L HN 1.022 9.252 8.230 0.000 0.000 0.428 323 R N 2.124 122.479 120.500 -0.243 0.000 2.093 323 R HA -0.045 4.294 4.340 -0.001 0.000 0.224 323 R C 2.173 178.445 176.300 -0.046 0.000 1.101 323 R CA 1.533 57.564 56.100 -0.115 0.000 0.979 323 R CB -0.777 29.541 30.300 0.031 0.000 0.877 323 R HN 0.906 9.176 8.270 0.000 0.000 0.441 324 K N 0.849 121.242 120.400 -0.012 0.000 2.218 324 K HA 0.020 4.339 4.320 -0.001 0.000 0.205 324 K C 1.909 178.490 176.600 -0.032 0.000 1.046 324 K CA 1.290 57.598 56.287 0.035 0.000 0.933 324 K CB -0.499 32.025 32.500 0.039 0.000 0.728 324 K HN 0.493 8.743 8.250 0.000 0.000 0.454 325 L N 0.211 121.372 121.223 -0.104 0.000 2.201 325 L HA -0.140 4.200 4.340 -0.001 0.000 0.212 325 L C 1.183 177.990 176.870 -0.105 0.000 1.105 325 L CA 1.062 55.840 54.840 -0.104 0.000 0.775 325 L CB -0.309 41.691 42.059 -0.099 0.000 0.913 325 L HN 0.164 8.394 8.230 0.000 0.000 0.440 326 D N -1.342 118.952 120.400 -0.176 0.000 2.349 326 D HA -0.024 4.615 4.640 -0.001 0.000 0.224 326 D C 0.508 176.521 176.300 -0.478 0.000 1.029 326 D CA 0.715 54.541 54.000 -0.290 0.000 0.879 326 D CB 0.174 40.775 40.800 -0.332 0.000 0.906 326 D HN 0.386 8.756 8.370 0.000 0.000 0.528 327 H N 0.167 119.223 119.070 -0.024 0.000 2.471 327 H HA 0.355 4.911 4.556 -0.001 0.000 0.234 327 H C -0.078 175.213 175.328 -0.062 0.000 1.388 327 H CA -0.186 55.843 56.048 -0.031 0.000 1.198 327 H CB 0.311 30.060 29.762 -0.022 0.000 1.714 327 H HN 0.022 8.302 8.280 0.000 0.000 0.536 328 I N 1.266 121.833 120.570 -0.005 0.000 2.389 328 I HA 0.130 4.300 4.170 -0.001 0.000 0.288 328 I C 0.390 176.475 176.117 -0.054 0.000 0.999 328 I CA -0.678 60.582 61.300 -0.066 0.000 1.129 328 I CB 1.844 39.774 38.000 -0.118 0.000 1.288 328 I HN 0.035 8.245 8.210 0.000 0.000 0.444 329 S N 4.586 120.249 115.700 -0.062 0.000 2.931 329 S HA -0.106 4.364 4.470 -0.001 0.000 0.342 329 S C 1.218 175.785 174.600 -0.055 0.000 1.220 329 S CA 0.076 58.244 58.200 -0.053 0.000 1.045 329 S CB -0.092 63.057 63.200 -0.085 0.000 0.758 329 S HN 0.792 9.102 8.310 0.000 0.000 0.508 330 E N 1.823 122.011 120.200 -0.019 0.000 2.461 330 E HA -0.059 4.291 4.350 -0.001 0.000 0.196 330 E C 1.146 177.752 176.600 0.010 0.000 1.129 330 E CA 0.663 57.057 56.400 -0.008 0.000 0.902 330 E CB -0.191 29.516 29.700 0.011 0.000 0.963 330 E HN 0.652 9.012 8.360 0.000 0.000 0.503 331 S N -0.648 115.030 115.700 -0.037 0.000 2.486 331 S HA 0.014 4.483 4.470 -0.001 0.000 0.220 331 S C 1.836 176.308 174.600 -0.214 0.000 1.011 331 S CA 0.162 58.298 58.200 -0.107 0.000 0.921 331 S CB 0.063 63.042 63.200 -0.368 0.000 0.785 331 S HN 0.167 8.477 8.310 0.000 0.000 0.517 332 V N 3.287 123.103 119.914 -0.163 0.000 2.295 332 V HA -0.038 4.082 4.120 -0.001 0.000 0.246 332 V C -0.424 175.606 176.094 -0.108 0.000 1.049 332 V CA 1.822 64.032 62.300 -0.150 0.000 1.024 332 V CB -1.724 30.017 31.823 -0.137 0.000 0.648 332 V HN 0.344 8.534 8.190 0.000 0.000 0.447 333 P HA -0.158 4.262 4.420 0.000 0.000 0.216 333 P C 1.924 179.177 177.300 -0.079 0.000 1.157 333 P CA 1.582 64.651 63.100 -0.051 0.000 0.880 333 P CB -0.108 31.574 31.700 -0.031 0.000 0.791 334 V N -0.677 119.168 119.914 -0.115 0.000 2.261 334 V HA -0.241 3.878 4.120 -0.001 0.000 0.246 334 V C 2.483 178.317 176.094 -0.433 0.000 1.047 334 V CA 1.715 63.831 62.300 -0.306 0.000 1.015 334 V CB -1.340 30.367 31.823 -0.194 0.000 0.642 334 V HN 0.068 8.258 8.190 0.000 0.000 0.446 335 L N -0.076 121.008 121.223 -0.233 0.000 2.012 335 L HA -0.260 4.079 4.340 -0.001 0.000 0.210 335 L C 2.652 179.528 176.870 0.010 0.000 1.073 335 L CA 2.325 57.106 54.840 -0.098 0.000 0.748 335 L CB -0.726 41.270 42.059 -0.105 0.000 0.891 335 L HN 0.465 8.695 8.230 0.000 0.000 0.431 336 E N 0.423 120.615 120.200 -0.015 0.000 2.118 336 E HA -0.281 4.069 4.350 -0.001 0.000 0.195 336 E C 2.220 178.894 176.600 0.124 0.000 0.992 336 E CA 1.248 57.673 56.400 0.041 0.000 0.804 336 E CB -0.013 29.693 29.700 0.011 0.000 0.741 336 E HN 0.310 8.670 8.360 0.000 0.000 0.458 337 L N 0.112 121.397 121.223 0.103 0.000 2.027 337 L HA -0.082 4.257 4.340 -0.001 0.000 0.206 337 L C 2.031 179.168 176.870 0.445 0.000 1.074 337 L CA 1.667 56.644 54.840 0.228 0.000 0.745 337 L CB -0.584 41.533 42.059 0.097 0.000 0.898 337 L HN 0.220 8.450 8.230 0.000 0.000 0.433 338 F N -0.293 119.776 119.950 0.199 0.000 2.084 338 F HA -0.228 4.299 4.527 -0.001 0.000 0.296 338 F C 2.703 178.686 175.800 0.305 0.000 1.111 338 F CA 0.811 58.974 58.000 0.272 0.000 1.224 338 F CB -0.661 38.569 39.000 0.385 0.000 0.991 338 F HN 0.314 8.614 8.300 0.000 0.000 0.471 339 S N -0.192 115.758 115.700 0.417 0.000 2.469 339 S HA -0.205 4.264 4.470 -0.001 0.000 0.238 339 S C 1.154 175.886 174.600 0.220 0.000 0.998 339 S CA 1.089 59.437 58.200 0.246 0.000 0.957 339 S CB -0.984 62.297 63.200 0.135 0.000 0.764 339 S HN 0.439 8.749 8.310 0.000 0.000 0.514 340 N N 0.668 119.544 118.700 0.293 0.000 2.571 340 N HA 0.171 4.911 4.740 -0.001 0.000 0.189 340 N C -0.185 175.518 175.510 0.321 0.000 1.154 340 N CA 0.222 53.425 53.050 0.254 0.000 0.907 340 N CB -0.069 38.580 38.487 0.269 0.000 0.977 340 N HN 0.506 8.886 8.380 0.000 0.000 0.449 341 I N 0.541 121.359 120.570 0.413 0.000 2.428 341 I HA 0.029 4.199 4.170 -0.001 0.000 0.289 341 I C 0.132 176.440 176.117 0.318 0.000 1.019 341 I CA -0.687 60.877 61.300 0.440 0.000 1.351 341 I CB 0.635 38.885 38.000 0.415 0.000 1.412 341 I HN 0.031 8.241 8.210 0.000 0.000 0.513 342 W N 5.879 127.287 121.300 0.181 0.000 2.251 342 W HA 0.345 5.005 4.660 -0.000 0.000 0.327 342 W C 1.294 177.864 176.519 0.085 0.000 1.361 342 W CA 1.444 58.833 57.345 0.074 0.000 1.234 342 W CB 0.622 30.088 29.460 0.011 0.000 1.212 342 W HN 0.783 8.963 8.180 0.000 0.000 0.557 343 G N 2.953 111.529 108.800 -0.374 0.000 2.179 343 G HA2 -0.115 3.845 3.960 -0.001 0.000 0.260 343 G HA3 -0.115 3.845 3.960 -0.001 0.000 0.260 343 G C -0.183 174.651 174.900 -0.110 0.000 0.977 343 G CA -0.053 44.905 45.100 -0.238 0.000 0.641 343 G HN 1.263 9.553 8.290 0.000 0.000 0.533 344 A N -0.025 122.767 122.820 -0.046 0.000 2.287 344 A HA 0.903 5.222 4.320 -0.001 0.000 0.317 344 A C 0.584 178.144 177.584 -0.040 0.000 1.220 344 A CA 0.740 52.770 52.037 -0.010 0.000 0.835 344 A CB 1.321 20.461 19.000 0.232 0.000 1.180 344 A HN 1.691 9.841 8.150 0.000 0.000 0.500 345 G N 0.219 108.962 108.800 -0.095 0.000 3.042 345 G HA2 0.478 4.437 3.960 -0.001 0.000 0.278 345 G HA3 0.478 4.437 3.960 -0.001 0.000 0.278 345 G C 0.728 175.598 174.900 -0.050 0.000 1.371 345 G CA 0.403 45.459 45.100 -0.074 0.000 1.009 345 G HN 0.515 8.805 8.290 0.000 0.000 0.523 346 T N 0.751 115.279 114.554 -0.043 0.000 2.567 346 T HA -0.224 4.126 4.350 -0.001 0.000 0.261 346 T C 2.405 177.083 174.700 -0.037 0.000 1.123 346 T CA 1.817 63.899 62.100 -0.030 0.000 1.166 346 T CB -0.228 68.613 68.868 -0.045 0.000 0.860 346 T HN 0.322 8.562 8.240 0.000 0.000 0.436 347 K N 0.637 120.997 120.400 -0.066 0.000 2.001 347 K HA -0.090 4.229 4.320 -0.001 0.000 0.214 347 K C 2.659 179.183 176.600 -0.127 0.000 1.050 347 K CA 1.756 57.996 56.287 -0.079 0.000 0.934 347 K CB -1.250 31.196 32.500 -0.090 0.000 0.718 347 K HN 0.420 8.670 8.250 0.000 0.000 0.443 348 T N 1.461 115.884 114.554 -0.218 0.000 2.635 348 T HA -0.184 4.166 4.350 -0.001 0.000 0.267 348 T C 1.945 176.416 174.700 -0.382 0.000 1.040 348 T CA 1.857 63.677 62.100 -0.466 0.000 1.156 348 T CB -0.357 68.153 68.868 -0.597 0.000 0.863 348 T HN 0.389 8.629 8.240 0.000 0.000 0.430 349 A N 0.963 123.757 122.820 -0.044 0.000 1.978 349 A HA -0.185 4.135 4.320 -0.001 0.000 0.220 349 A C 2.263 180.062 177.584 0.358 0.000 1.170 349 A CA 1.947 54.194 52.037 0.350 0.000 0.636 349 A CB -0.705 18.488 19.000 0.321 0.000 0.810 349 A HN 0.606 8.756 8.150 0.000 0.000 0.448 350 Q N -1.004 118.883 119.800 0.145 0.000 2.083 350 Q HA -0.148 4.191 4.340 -0.001 0.000 0.198 350 Q C 2.114 178.228 176.000 0.190 0.000 0.969 350 Q CA 1.489 57.372 55.803 0.133 0.000 0.838 350 Q CB -0.198 28.561 28.738 0.037 0.000 0.900 350 Q HN 0.746 9.016 8.270 0.000 0.000 0.436 351 M N -0.389 119.263 119.600 0.085 0.000 2.065 351 M HA -0.223 4.256 4.480 -0.001 0.000 0.259 351 M C 1.535 178.006 176.300 0.285 0.000 1.071 351 M CA 1.841 57.188 55.300 0.077 0.000 1.109 351 M CB -0.375 32.156 32.600 -0.115 0.000 1.313 351 M HN 0.341 8.631 8.290 0.000 0.000 0.408 352 W N -0.034 121.452 121.300 0.309 0.000 2.321 352 W HA -0.270 4.389 4.660 -0.001 0.000 0.306 352 W C 2.423 179.275 176.519 0.555 0.000 1.217 352 W CA 1.564 59.200 57.345 0.485 0.000 1.257 352 W CB -1.718 27.916 29.460 0.291 0.000 1.145 352 W HN 0.447 8.627 8.180 0.000 0.000 0.509 353 Y N 1.081 121.768 120.300 0.645 0.000 2.181 353 Y HA -0.274 4.276 4.550 -0.001 0.000 0.288 353 Y C 2.752 178.776 175.900 0.207 0.000 1.146 353 Y CA 2.624 60.957 58.100 0.390 0.000 1.164 353 Y CB -0.831 37.759 38.460 0.217 0.000 0.982 353 Y HN 0.044 8.324 8.280 0.000 0.000 0.515 354 Q N -0.127 119.917 119.800 0.406 0.000 2.437 354 Q HA -0.183 4.156 4.340 -0.001 0.000 0.210 354 Q C 1.182 177.239 176.000 0.095 0.000 0.972 354 Q CA 1.203 57.147 55.803 0.234 0.000 0.903 354 Q CB -0.002 28.843 28.738 0.177 0.000 0.967 354 Q HN 0.640 8.910 8.270 0.000 0.000 0.486 355 Q N -1.826 118.017 119.800 0.072 0.000 2.247 355 Q HA 0.172 4.511 4.340 -0.001 0.000 0.204 355 Q C 0.745 176.516 176.000 -0.382 0.000 0.872 355 Q CA 0.373 56.105 55.803 -0.118 0.000 0.951 355 Q CB 1.173 29.875 28.738 -0.059 0.000 1.099 355 Q HN 0.544 8.814 8.270 0.000 0.000 0.501 356 G N 0.637 109.265 108.800 -0.287 0.000 2.284 356 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.216 356 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.216 356 G C -0.030 174.697 174.900 -0.287 0.000 1.009 356 G CA -0.540 44.358 45.100 -0.337 0.000 0.625 356 G HN 0.246 8.536 8.290 0.000 0.000 0.501 357 F N 1.208 121.158 119.950 -0.001 0.000 2.629 357 F HA 0.509 5.036 4.527 -0.001 0.000 0.369 357 F C 1.782 177.638 175.800 0.092 0.000 1.125 357 F CA 0.504 58.540 58.000 0.060 0.000 1.330 357 F CB 0.502 39.547 39.000 0.075 0.000 1.071 357 F HN 0.009 8.309 8.300 0.000 0.000 0.595 358 R N -0.205 120.487 120.500 0.319 0.000 2.591 358 R HA 0.126 4.466 4.340 -0.001 0.000 0.288 358 R C -0.440 175.957 176.300 0.161 0.000 0.947 358 R CA 0.261 56.428 56.100 0.111 0.000 1.085 358 R CB 0.254 30.530 30.300 -0.041 0.000 1.618 358 R HN 0.650 8.920 8.270 0.000 0.000 0.524 359 S N -1.015 114.840 115.700 0.259 0.000 2.595 359 S HA 0.435 4.904 4.470 -0.001 0.000 0.281 359 S C 0.964 175.622 174.600 0.097 0.000 1.117 359 S CA -0.807 57.489 58.200 0.159 0.000 0.873 359 S CB 1.652 64.879 63.200 0.044 0.000 1.108 359 S HN -0.009 8.301 8.310 0.000 0.000 0.477 360 L N 0.345 121.559 121.223 -0.016 0.000 2.265 360 L HA -0.050 4.290 4.340 -0.001 0.000 0.215 360 L C 2.638 179.360 176.870 -0.247 0.000 1.117 360 L CA 1.489 56.197 54.840 -0.220 0.000 0.782 360 L CB -0.537 41.331 42.059 -0.318 0.000 0.914 360 L HN 0.828 9.058 8.230 0.000 0.000 0.441 361 E N 0.664 120.774 120.200 -0.150 0.000 2.072 361 E HA -0.193 4.157 4.350 -0.001 0.000 0.191 361 E C 1.634 178.141 176.600 -0.155 0.000 0.985 361 E CA 1.355 57.675 56.400 -0.134 0.000 0.801 361 E CB 0.042 29.698 29.700 -0.074 0.000 0.750 361 E HN 0.349 8.709 8.360 0.000 0.000 0.452 362 D N 0.203 120.529 120.400 -0.123 0.000 2.084 362 D HA -0.152 4.487 4.640 -0.001 0.000 0.194 362 D C 1.910 177.945 176.300 -0.441 0.000 0.990 362 D CA 1.078 55.025 54.000 -0.089 0.000 0.826 362 D CB -0.248 40.657 40.800 0.174 0.000 0.971 362 D HN 0.224 8.594 8.370 0.000 0.000 0.453 363 I N 0.925 121.041 120.570 -0.758 0.000 2.208 363 I HA -0.232 3.937 4.170 -0.001 0.000 0.245 363 I C 2.651 178.335 176.117 -0.721 0.000 1.097 363 I CA 1.168 61.766 61.300 -1.170 0.000 1.363 363 I CB -1.453 35.698 38.000 -1.416 0.000 1.051 363 I HN 0.028 8.238 8.210 0.000 0.000 0.413 364 R N 0.998 121.210 120.500 -0.480 0.000 2.377 364 R HA -0.056 4.284 4.340 -0.001 0.000 0.207 364 R C 1.868 178.026 176.300 -0.237 0.000 1.075 364 R CA 1.422 57.332 56.100 -0.317 0.000 1.035 364 R CB -1.311 28.845 30.300 -0.240 0.000 0.857 364 R HN 0.733 9.003 8.270 0.000 0.000 0.475 365 S N -3.818 111.735 115.700 -0.245 0.000 2.560 365 S HA 0.048 4.517 4.470 -0.001 0.000 0.281 365 S C 1.215 175.748 174.600 -0.112 0.000 1.075 365 S CA 0.206 58.318 58.200 -0.147 0.000 1.295 365 S CB 0.155 63.298 63.200 -0.096 0.000 1.156 365 S HN 0.552 8.862 8.310 0.000 0.000 0.627 366 Q N 0.812 120.516 119.800 -0.160 0.000 2.164 366 Q HA 0.580 4.919 4.340 -0.001 0.000 0.226 366 Q C 0.234 176.194 176.000 -0.066 0.000 0.813 366 Q CA 0.150 55.958 55.803 0.008 0.000 0.978 366 Q CB 1.555 30.485 28.738 0.320 0.000 1.149 366 Q HN 0.604 8.874 8.270 0.000 0.000 0.489 367 A N 0.924 123.460 122.820 -0.473 0.000 2.306 367 A HA 0.528 4.848 4.320 -0.001 0.000 0.330 367 A C -0.298 177.231 177.584 -0.090 0.000 1.146 367 A CA -0.451 51.299 52.037 -0.478 0.000 0.827 367 A CB 1.435 19.683 19.000 -1.252 0.000 1.178 367 A HN 0.036 8.186 8.150 0.000 0.000 0.490 368 S N 1.443 117.241 115.700 0.162 0.000 2.416 368 S HA 0.518 4.987 4.470 -0.001 0.000 0.287 368 S C -0.447 174.280 174.600 0.212 0.000 1.139 368 S CA -0.378 57.918 58.200 0.160 0.000 1.058 368 S CB -0.955 62.348 63.200 0.172 0.000 0.967 368 S HN 0.469 8.779 8.310 0.000 0.000 0.495 369 L N 4.377 125.671 121.223 0.118 0.000 2.334 369 L HA 0.560 4.899 4.340 -0.001 0.000 0.273 369 L C 0.764 177.696 176.870 0.104 0.000 1.013 369 L CA -0.988 53.937 54.840 0.141 0.000 0.816 369 L CB 2.111 44.207 42.059 0.061 0.000 1.278 369 L HN 0.630 8.860 8.230 0.000 0.000 0.431 370 T N -3.016 111.609 114.554 0.118 0.000 2.918 370 T HA 0.159 4.509 4.350 -0.001 0.000 0.283 370 T C 1.081 175.840 174.700 0.099 0.000 1.001 370 T CA -0.508 61.648 62.100 0.093 0.000 1.041 370 T CB 1.451 70.372 68.868 0.089 0.000 1.028 370 T HN 0.619 8.859 8.240 0.000 0.000 0.511 371 T N 1.625 116.228 114.554 0.082 0.000 2.721 371 T HA -0.208 4.141 4.350 -0.001 0.000 0.268 371 T C 1.980 176.746 174.700 0.109 0.000 1.038 371 T CA 2.020 64.165 62.100 0.077 0.000 1.145 371 T CB -0.332 68.574 68.868 0.064 0.000 0.858 371 T HN 0.712 8.952 8.240 0.000 0.000 0.459 372 Q N 0.656 120.554 119.800 0.162 0.000 2.016 372 Q HA -0.103 4.236 4.340 -0.001 0.000 0.200 372 Q C 2.673 178.856 176.000 0.304 0.000 0.978 372 Q CA 1.209 57.172 55.803 0.267 0.000 0.833 372 Q CB -0.241 28.750 28.738 0.422 0.000 0.895 372 Q HN 0.629 8.899 8.270 0.000 0.000 0.427 373 Q N 0.509 120.466 119.800 0.262 0.000 2.112 373 Q HA -0.187 4.152 4.340 -0.001 0.000 0.206 373 Q C 2.151 178.264 176.000 0.188 0.000 0.987 373 Q CA 1.392 57.352 55.803 0.262 0.000 0.858 373 Q CB -0.328 28.566 28.738 0.260 0.000 0.905 373 Q HN 0.379 8.649 8.270 0.000 0.000 0.420 374 A N 0.986 123.876 122.820 0.116 0.000 1.933 374 A HA -0.174 4.146 4.320 -0.001 0.000 0.218 374 A C 2.054 179.656 177.584 0.031 0.000 1.175 374 A CA 1.179 53.239 52.037 0.039 0.000 0.628 374 A CB -0.590 18.418 19.000 0.013 0.000 0.814 374 A HN 0.310 8.460 8.150 0.000 0.000 0.444 375 I N -0.497 120.122 120.570 0.081 0.000 2.202 375 I HA -0.173 3.996 4.170 -0.001 0.000 0.242 375 I C 2.711 178.948 176.117 0.201 0.000 1.091 375 I CA 1.111 62.461 61.300 0.083 0.000 1.368 375 I CB -0.713 37.351 38.000 0.106 0.000 1.058 375 I HN 0.396 8.606 8.210 0.000 0.000 0.410 376 G N 1.017 110.019 108.800 0.336 0.000 2.432 376 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.219 376 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.219 376 G C 1.638 176.773 174.900 0.392 0.000 1.135 376 G CA 0.535 45.956 45.100 0.536 0.000 0.767 376 G HN 0.241 8.531 8.290 0.000 0.000 0.550 377 L N 0.460 121.810 121.223 0.211 0.000 2.095 377 L HA 0.245 4.584 4.340 -0.001 0.000 0.204 377 L C 2.570 179.430 176.870 -0.015 0.000 1.080 377 L CA 1.995 56.902 54.840 0.111 0.000 0.759 377 L CB -0.516 41.527 42.059 -0.027 0.000 0.914 377 L HN 0.191 8.421 8.230 0.000 0.000 0.439 378 K N -1.411 118.897 120.400 -0.153 0.000 2.152 378 K HA -0.173 4.146 4.320 -0.001 0.000 0.206 378 K C 0.611 176.894 176.600 -0.529 0.000 1.048 378 K CA 1.353 57.415 56.287 -0.375 0.000 0.933 378 K CB -0.050 32.124 32.500 -0.543 0.000 0.721 378 K HN 0.494 8.744 8.250 0.000 0.000 0.447 379 H N -1.117 117.786 119.070 -0.279 0.000 2.472 379 H HA 0.006 4.561 4.556 -0.001 0.000 0.287 379 H C 0.370 175.358 175.328 -0.567 0.000 1.112 379 H CA -0.305 55.369 56.048 -0.624 0.000 1.021 379 H CB -0.052 28.985 29.762 -1.209 0.000 1.635 379 H HN 0.242 8.522 8.280 0.000 0.000 0.559 380 Y N 2.189 122.387 120.300 -0.170 0.000 2.030 380 Y HA -0.334 4.216 4.550 -0.001 0.000 0.274 380 Y C 2.344 178.238 175.900 -0.011 0.000 1.153 380 Y CA 2.196 60.292 58.100 -0.007 0.000 1.115 380 Y CB -0.076 38.391 38.460 0.012 0.000 0.969 380 Y HN 0.086 8.366 8.280 0.000 0.000 0.488 381 S N 0.093 115.856 115.700 0.104 0.000 2.387 381 S HA -0.218 4.251 4.470 -0.001 0.000 0.230 381 S C 1.525 176.096 174.600 -0.049 0.000 1.035 381 S CA 1.525 59.752 58.200 0.045 0.000 1.014 381 S CB -0.426 62.820 63.200 0.076 0.000 0.836 381 S HN 0.537 8.847 8.310 0.000 0.000 0.466 382 D N 0.380 120.704 120.400 -0.128 0.000 2.183 382 D HA 0.030 4.669 4.640 -0.001 0.000 0.203 382 D C 1.160 177.438 176.300 -0.037 0.000 0.969 382 D CA 0.670 54.597 54.000 -0.122 0.000 0.842 382 D CB -0.207 40.478 40.800 -0.193 0.000 0.957 382 D HN 0.331 8.701 8.370 0.000 0.000 0.484 383 F N 0.347 120.274 119.950 -0.039 0.000 2.748 383 F HA 0.135 4.662 4.527 -0.001 0.000 0.299 383 F C 2.054 177.800 175.800 -0.089 0.000 1.154 383 F CA 0.058 58.025 58.000 -0.056 0.000 1.446 383 F CB -0.570 38.407 39.000 -0.039 0.000 1.112 383 F HN -0.034 8.266 8.300 0.000 0.000 0.584 384 L N -0.967 120.273 121.223 0.028 0.000 2.341 384 L HA 0.018 4.357 4.340 -0.001 0.000 0.214 384 L C 0.692 177.576 176.870 0.025 0.000 1.115 384 L CA 0.558 55.386 54.840 -0.020 0.000 0.820 384 L CB -0.146 41.867 42.059 -0.076 0.000 0.944 384 L HN -0.152 8.078 8.230 0.000 0.000 0.452 385 E N 1.140 121.365 120.200 0.041 0.000 2.227 385 E HA 0.298 4.647 4.350 -0.001 0.000 0.282 385 E C -0.340 176.292 176.600 0.053 0.000 1.015 385 E CA -0.170 56.255 56.400 0.042 0.000 0.823 385 E CB 1.258 30.980 29.700 0.035 0.000 1.081 385 E HN 0.160 8.520 8.360 0.000 0.000 0.396 386 R N 1.585 122.112 120.500 0.044 0.000 2.543 386 R HA 0.480 4.820 4.340 -0.001 0.000 0.268 386 R C 0.649 176.975 176.300 0.043 0.000 1.067 386 R CA -0.421 55.705 56.100 0.044 0.000 1.142 386 R CB 0.743 31.065 30.300 0.036 0.000 1.110 386 R HN 0.508 8.778 8.270 0.000 0.000 0.549 387 M N -0.158 119.469 119.600 0.045 0.000 2.578 387 M HA 0.579 5.059 4.480 -0.001 0.000 0.321 387 M C -2.590 173.740 176.300 0.051 0.000 1.182 387 M CA -2.422 52.905 55.300 0.046 0.000 0.965 387 M CB 1.986 34.615 32.600 0.048 0.000 1.694 387 M HN 0.121 8.411 8.290 0.000 0.000 0.461 388 P HA 0.179 4.599 4.420 0.000 0.000 0.271 388 P C -0.099 177.247 177.300 0.077 0.000 1.216 388 P CA -0.265 62.865 63.100 0.049 0.000 0.776 388 P CB 0.639 32.363 31.700 0.040 0.000 0.881 389 R N 2.889 123.436 120.500 0.078 0.000 2.185 389 R HA -0.247 4.093 4.340 -0.001 0.000 0.247 389 R C 1.749 178.152 176.300 0.172 0.000 1.159 389 R CA 1.654 57.836 56.100 0.137 0.000 0.988 389 R CB -0.124 30.193 30.300 0.029 0.000 0.871 389 R HN 0.564 8.834 8.270 0.000 0.000 0.458 390 E N 0.470 120.728 120.200 0.097 0.000 2.017 390 E HA -0.268 4.082 4.350 -0.001 0.000 0.193 390 E C 1.786 178.433 176.600 0.079 0.000 0.997 390 E CA 1.628 58.077 56.400 0.081 0.000 0.804 390 E CB -0.092 29.637 29.700 0.050 0.000 0.757 390 E HN 0.481 8.841 8.360 0.000 0.000 0.448 391 E N 0.124 120.364 120.200 0.066 0.000 2.051 391 E HA -0.218 4.131 4.350 -0.001 0.000 0.192 391 E C 1.983 178.615 176.600 0.054 0.000 0.991 391 E CA 1.261 57.694 56.400 0.055 0.000 0.799 391 E CB -0.240 29.488 29.700 0.048 0.000 0.748 391 E HN 0.322 8.682 8.360 0.000 0.000 0.449 392 A N 0.338 123.199 122.820 0.068 0.000 1.892 392 A HA -0.256 4.064 4.320 -0.001 0.000 0.218 392 A C 2.450 179.984 177.584 -0.083 0.000 1.188 392 A CA 2.397 54.443 52.037 0.015 0.000 0.631 392 A CB -1.303 17.753 19.000 0.095 0.000 0.822 392 A HN 0.413 8.563 8.150 0.000 0.000 0.447 393 T N -0.728 113.835 114.554 0.013 0.000 2.720 393 T HA -0.179 4.170 4.350 -0.001 0.000 0.268 393 T C 1.813 176.493 174.700 -0.033 0.000 1.037 393 T CA 1.646 63.735 62.100 -0.018 0.000 1.144 393 T CB -0.255 68.701 68.868 0.148 0.000 0.864 393 T HN 0.711 8.951 8.240 0.000 0.000 0.444 394 E N 0.122 120.324 120.200 0.003 0.000 2.268 394 E HA -0.056 4.293 4.350 -0.001 0.000 0.195 394 E C 1.943 178.532 176.600 -0.017 0.000 0.995 394 E CA 0.605 57.002 56.400 -0.005 0.000 0.836 394 E CB -0.122 29.587 29.700 0.017 0.000 0.763 394 E HN 0.528 8.888 8.360 0.000 0.000 0.491 395 I N 0.561 121.139 120.570 0.014 0.000 2.400 395 I HA -0.156 4.014 4.170 -0.001 0.000 0.248 395 I C 2.616 178.741 176.117 0.014 0.000 1.109 395 I CA 0.551 61.908 61.300 0.094 0.000 1.425 395 I CB -0.245 37.851 38.000 0.160 0.000 1.094 395 I HN 0.125 8.335 8.210 0.000 0.000 0.425 396 E N 1.190 121.350 120.200 -0.066 0.000 2.051 396 E HA -0.246 4.103 4.350 -0.001 0.000 0.192 396 E C 2.080 178.639 176.600 -0.069 0.000 0.991 396 E CA 1.513 57.861 56.400 -0.087 0.000 0.799 396 E CB -0.062 29.515 29.700 -0.204 0.000 0.748 396 E HN 0.395 8.755 8.360 0.000 0.000 0.449 397 Q N 0.062 119.815 119.800 -0.078 0.000 2.077 397 Q HA -0.134 4.206 4.340 -0.001 0.000 0.206 397 Q C 2.305 178.235 176.000 -0.116 0.000 0.989 397 Q CA 1.979 57.738 55.803 -0.075 0.000 0.853 397 Q CB -0.974 27.727 28.738 -0.062 0.000 0.907 397 Q HN 0.326 8.596 8.270 0.000 0.000 0.418 398 T N 1.151 115.586 114.554 -0.199 0.000 2.652 398 T HA -0.116 4.233 4.350 -0.001 0.000 0.267 398 T C 2.112 176.647 174.700 -0.276 0.000 1.039 398 T CA 1.673 63.550 62.100 -0.371 0.000 1.153 398 T CB -0.345 68.004 68.868 -0.865 0.000 0.863 398 T HN 0.069 8.309 8.240 0.000 0.000 0.428 399 V N 1.512 121.330 119.914 -0.159 0.000 2.407 399 V HA -0.220 3.900 4.120 -0.001 0.000 0.248 399 V C 2.581 178.683 176.094 0.013 0.000 1.055 399 V CA 1.973 64.274 62.300 0.001 0.000 1.049 399 V CB -0.738 31.155 31.823 0.116 0.000 0.662 399 V HN 0.512 8.703 8.190 0.000 0.000 0.455 400 Q N 0.629 120.421 119.800 -0.014 0.000 1.990 400 Q HA -0.269 4.070 4.340 -0.001 0.000 0.200 400 Q C 2.436 178.425 176.000 -0.019 0.000 0.980 400 Q CA 2.177 57.973 55.803 -0.012 0.000 0.832 400 Q CB -0.270 28.455 28.738 -0.022 0.000 0.897 400 Q HN 0.584 8.854 8.270 0.000 0.000 0.427 401 K N -0.324 120.054 120.400 -0.038 0.000 2.113 401 K HA -0.186 4.133 4.320 -0.001 0.000 0.208 401 K C 1.846 178.448 176.600 0.003 0.000 1.047 401 K CA 1.292 57.560 56.287 -0.031 0.000 0.928 401 K CB -0.244 32.226 32.500 -0.050 0.000 0.716 401 K HN 0.328 8.578 8.250 0.000 0.000 0.446 402 A N 0.531 123.357 122.820 0.010 0.000 2.015 402 A HA -0.008 4.312 4.320 -0.001 0.000 0.219 402 A C 2.173 179.896 177.584 0.232 0.000 1.163 402 A CA 1.549 53.632 52.037 0.077 0.000 0.646 402 A CB -0.447 18.574 19.000 0.035 0.000 0.806 402 A HN 0.482 8.632 8.150 0.000 0.000 0.448 403 A N -0.498 122.424 122.820 0.170 0.000 1.861 403 A HA -0.088 4.231 4.320 -0.001 0.000 0.212 403 A C 1.977 179.459 177.584 -0.171 0.000 1.199 403 A CA 1.203 53.331 52.037 0.152 0.000 0.613 403 A CB -0.548 18.472 19.000 0.033 0.000 0.846 403 A HN 0.553 8.703 8.150 0.000 0.000 0.446 404 Q N -0.120 119.614 119.800 -0.111 0.000 2.508 404 Q HA 0.017 4.356 4.340 -0.001 0.000 0.214 404 Q C 2.021 177.975 176.000 -0.076 0.000 0.979 404 Q CA 0.613 56.330 55.803 -0.144 0.000 0.911 404 Q CB -0.349 28.332 28.738 -0.095 0.000 0.969 404 Q HN 0.683 8.953 8.270 0.000 0.000 0.504 405 A N 1.161 124.005 122.820 0.039 0.000 1.930 405 A HA -0.131 4.189 4.320 -0.001 0.000 0.217 405 A C 1.374 179.066 177.584 0.180 0.000 1.175 405 A CA 0.980 53.087 52.037 0.117 0.000 0.627 405 A CB -0.352 18.750 19.000 0.169 0.000 0.815 405 A HN 0.539 8.689 8.150 0.000 0.000 0.443 406 F N -2.199 117.746 119.950 -0.008 0.000 2.735 406 F HA 0.536 5.063 4.527 0.000 0.000 0.304 406 F C -0.283 175.519 175.800 0.003 0.000 1.119 406 F CA -1.169 56.828 58.000 -0.005 0.000 1.280 406 F CB -0.147 38.850 39.000 -0.006 0.000 0.994 406 F HN 0.104 8.404 8.300 0.000 0.000 0.520 407 N N 0.890 119.401 118.700 -0.315 0.000 4.614 407 N HA -0.097 4.642 4.740 -0.001 0.000 0.158 407 N C 0.400 175.780 175.510 -0.216 0.000 1.311 407 N CA 0.902 53.788 53.050 -0.273 0.000 0.922 407 N CB 0.200 38.444 38.487 -0.405 0.000 1.696 407 N HN 0.177 8.557 8.380 0.000 0.000 0.871 408 S N -0.132 115.493 115.700 -0.125 0.000 2.500 408 S HA -0.048 4.421 4.470 -0.001 0.000 0.239 408 S C 1.872 176.376 174.600 -0.160 0.000 0.989 408 S CA 1.376 59.504 58.200 -0.119 0.000 0.951 408 S CB -0.124 63.028 63.200 -0.079 0.000 0.759 408 S HN 0.529 8.839 8.310 0.000 0.000 0.523 409 G N 1.617 110.327 108.800 -0.149 0.000 2.421 409 G HA2 0.140 4.099 3.960 -0.001 0.000 0.217 409 G HA3 0.140 4.099 3.960 -0.001 0.000 0.217 409 G C 0.558 175.020 174.900 -0.730 0.000 1.143 409 G CA -0.076 44.801 45.100 -0.370 0.000 0.784 409 G HN 0.517 8.807 8.290 0.000 0.000 0.541 410 L N 0.580 121.552 121.223 -0.418 0.000 2.559 410 L HA 0.127 4.467 4.340 -0.001 0.000 0.282 410 L C -0.045 176.665 176.870 -0.267 0.000 1.232 410 L CA -0.462 54.195 54.840 -0.306 0.000 0.885 410 L CB 0.581 42.523 42.059 -0.195 0.000 1.131 410 L HN 0.110 8.340 8.230 0.000 0.000 0.498 411 L N 4.282 125.375 121.223 -0.217 0.000 2.305 411 L HA 0.462 4.802 4.340 -0.001 0.000 0.284 411 L C -0.764 176.090 176.870 -0.028 0.000 1.013 411 L CA 0.010 54.766 54.840 -0.141 0.000 0.819 411 L CB 1.302 43.245 42.059 -0.193 0.000 1.227 411 L HN 0.590 8.820 8.230 0.000 0.000 0.417 412 C N 4.422 123.726 119.300 0.007 0.000 2.379 412 C HA 0.841 5.300 4.460 -0.001 0.000 0.323 412 C C -0.370 174.677 174.990 0.096 0.000 1.262 412 C CA -0.829 58.227 59.018 0.062 0.000 1.581 412 C CB 1.250 29.010 27.740 0.034 0.000 2.221 412 C HN 0.626 8.856 8.230 0.000 0.000 0.497 413 V N 2.872 122.875 119.914 0.149 0.000 2.623 413 V HA 0.661 4.780 4.120 -0.001 0.000 0.304 413 V C 0.147 176.314 176.094 0.122 0.000 1.054 413 V CA -0.390 62.003 62.300 0.155 0.000 0.882 413 V CB 1.780 33.743 31.823 0.234 0.000 1.002 413 V HN 1.037 9.227 8.190 0.000 0.000 0.424 414 A N 3.796 126.647 122.820 0.051 0.000 2.354 414 A HA 0.600 4.920 4.320 -0.001 0.000 0.281 414 A C 0.276 177.903 177.584 0.072 0.000 1.174 414 A CA -0.126 51.881 52.037 -0.050 0.000 0.828 414 A CB 0.020 18.766 19.000 -0.424 0.000 1.099 414 A HN 0.931 9.081 8.150 0.000 0.000 0.516 415 C N 1.376 120.656 119.300 -0.033 0.000 2.511 415 C HA 0.936 5.395 4.460 -0.001 0.000 0.221 415 C C 1.800 176.704 174.990 -0.144 0.000 2.963 415 C CA 0.452 59.432 59.018 -0.064 0.000 1.934 415 C CB -0.378 27.307 27.740 -0.092 0.000 2.827 415 C HN 1.773 10.003 8.230 0.000 0.000 0.360 416 G N 1.064 109.712 108.800 -0.253 0.000 2.574 416 G HA2 -0.317 3.643 3.960 -0.001 0.000 0.282 416 G HA3 -0.317 3.643 3.960 -0.001 0.000 0.282 416 G C 1.080 175.915 174.900 -0.107 0.000 1.257 416 G CA 1.442 46.403 45.100 -0.231 0.000 0.956 416 G HN 1.604 9.894 8.290 0.000 0.000 0.560 417 S N -1.258 114.397 115.700 -0.075 0.000 2.400 417 S HA -0.202 4.268 4.470 -0.001 0.000 0.232 417 S C 2.009 176.600 174.600 -0.016 0.000 1.025 417 S CA 2.316 60.491 58.200 -0.042 0.000 0.993 417 S CB -0.465 62.724 63.200 -0.020 0.000 0.808 417 S HN 1.144 9.454 8.310 0.000 0.000 0.478 418 Y N 2.624 122.866 120.300 -0.097 0.000 2.070 418 Y HA -0.115 4.435 4.550 -0.000 0.000 0.280 418 Y C 2.848 178.705 175.900 -0.071 0.000 1.148 418 Y CA 2.076 60.133 58.100 -0.072 0.000 1.125 418 Y CB -0.484 37.936 38.460 -0.067 0.000 0.975 418 Y HN 0.199 8.479 8.280 0.000 0.000 0.492 419 R N 0.331 120.867 120.500 0.061 0.000 2.120 419 R HA -0.113 4.227 4.340 -0.001 0.000 0.234 419 R C 2.041 178.273 176.300 -0.114 0.000 1.123 419 R CA 1.308 57.395 56.100 -0.021 0.000 0.975 419 R CB -0.160 30.148 30.300 0.014 0.000 0.866 419 R HN 0.307 8.577 8.270 0.000 0.000 0.446 420 R N -0.535 119.889 120.500 -0.125 0.000 2.339 420 R HA 0.027 4.367 4.340 -0.001 0.000 0.199 420 R C 0.733 176.937 176.300 -0.161 0.000 1.018 420 R CA 0.691 56.699 56.100 -0.153 0.000 1.036 420 R CB 0.177 30.385 30.300 -0.152 0.000 0.899 420 R HN 0.505 8.775 8.270 0.000 0.000 0.473 421 G N 1.954 110.636 108.800 -0.196 0.000 2.176 421 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.252 421 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.252 421 G C -0.087 174.710 174.900 -0.172 0.000 1.024 421 G CA -0.030 44.941 45.100 -0.216 0.000 0.755 421 G HN 0.105 8.395 8.290 0.000 0.000 0.507 422 K N -0.316 119.998 120.400 -0.143 0.000 2.230 422 K HA 0.586 4.905 4.320 -0.001 0.000 0.253 422 K C 1.538 178.088 176.600 -0.084 0.000 1.008 422 K CA 0.180 56.414 56.287 -0.089 0.000 0.910 422 K CB 0.487 32.957 32.500 -0.051 0.000 0.994 422 K HN 0.504 8.754 8.250 0.000 0.000 0.495 423 A N 0.497 123.288 122.820 -0.047 0.000 2.123 423 A HA -0.003 4.316 4.320 -0.001 0.000 0.214 423 A C 0.749 178.330 177.584 -0.003 0.000 1.152 423 A CA 1.233 53.251 52.037 -0.031 0.000 0.728 423 A CB -0.159 18.829 19.000 -0.020 0.000 0.814 423 A HN 0.762 8.912 8.150 0.000 0.000 0.464 424 T N -4.251 110.306 114.554 0.006 0.000 2.896 424 T HA 0.576 4.926 4.350 -0.001 0.000 0.297 424 T C -0.954 173.768 174.700 0.037 0.000 1.108 424 T CA -0.824 61.293 62.100 0.028 0.000 1.004 424 T CB 1.491 70.374 68.868 0.025 0.000 1.159 424 T HN 0.181 8.421 8.240 0.000 0.000 0.499 425 C N 1.184 120.516 119.300 0.053 0.000 2.547 425 C HA 0.796 5.256 4.460 -0.001 0.000 0.313 425 C C 1.882 176.893 174.990 0.036 0.000 1.191 425 C CA -0.297 58.751 59.018 0.051 0.000 1.474 425 C CB 1.225 29.017 27.740 0.087 0.000 2.081 425 C HN 1.219 9.449 8.230 0.000 0.000 0.476 426 G N 1.018 109.830 108.800 0.020 0.000 2.403 426 G HA2 0.154 4.113 3.960 -0.001 0.000 0.216 426 G HA3 0.154 4.113 3.960 -0.001 0.000 0.216 426 G C 0.137 175.044 174.900 0.011 0.000 1.154 426 G CA 1.345 46.457 45.100 0.020 0.000 0.784 426 G HN 0.886 9.176 8.290 0.000 0.000 0.538 427 D N -2.022 118.373 120.400 -0.009 0.000 2.677 427 D HA 0.387 5.027 4.640 -0.001 0.000 0.298 427 D C -1.316 174.960 176.300 -0.041 0.000 1.250 427 D CA -0.816 53.168 54.000 -0.028 0.000 0.888 427 D CB 1.297 42.065 40.800 -0.054 0.000 1.397 427 D HN -0.085 8.285 8.370 0.000 0.000 0.461 428 V N 0.755 120.637 119.914 -0.052 0.000 2.378 428 V HA 0.327 4.447 4.120 -0.001 0.000 0.288 428 V C -0.918 175.114 176.094 -0.102 0.000 1.016 428 V CA -0.744 61.505 62.300 -0.084 0.000 0.840 428 V CB 1.365 33.149 31.823 -0.066 0.000 0.994 428 V HN 0.447 8.637 8.190 0.000 0.000 0.431 429 D N 4.714 124.982 120.400 -0.219 0.000 2.428 429 D HA 0.296 4.936 4.640 -0.001 0.000 0.221 429 D C -0.329 175.865 176.300 -0.177 0.000 1.123 429 D CA -0.034 53.724 54.000 -0.403 0.000 0.869 429 D CB 2.087 42.231 40.800 -1.093 0.000 1.032 429 D HN 0.236 8.606 8.370 0.000 0.000 0.506 430 V N 3.133 123.137 119.914 0.150 0.000 2.439 430 V HA 0.302 4.421 4.120 -0.001 0.000 0.282 430 V C 0.351 176.710 176.094 0.441 0.000 1.039 430 V CA -0.824 61.614 62.300 0.230 0.000 0.913 430 V CB 1.947 33.880 31.823 0.183 0.000 0.983 430 V HN 0.388 8.578 8.190 0.000 0.000 0.460 431 L N 6.530 127.979 121.223 0.377 0.000 2.313 431 L HA 0.673 5.012 4.340 -0.001 0.000 0.283 431 L C -0.898 176.124 176.870 0.255 0.000 1.013 431 L CA -0.294 54.764 54.840 0.364 0.000 0.816 431 L CB 1.111 43.415 42.059 0.409 0.000 1.236 431 L HN 0.557 8.787 8.230 0.000 0.000 0.419 432 I N 4.396 125.079 120.570 0.189 0.000 2.509 432 I HA 0.558 4.727 4.170 -0.001 0.000 0.293 432 I C -0.142 176.039 176.117 0.106 0.000 1.020 432 I CA -0.286 61.086 61.300 0.118 0.000 1.088 432 I CB 2.224 40.255 38.000 0.052 0.000 1.267 432 I HN 0.599 8.809 8.210 0.000 0.000 0.430 433 T N 3.105 117.703 114.554 0.072 0.000 2.665 433 T HA 0.411 4.760 4.350 -0.001 0.000 0.303 433 T C -1.952 172.764 174.700 0.026 0.000 1.334 433 T CA -0.446 61.688 62.100 0.058 0.000 1.011 433 T CB 1.618 70.537 68.868 0.085 0.000 1.573 433 T HN 0.628 8.868 8.240 0.000 0.000 0.492 434 H N 0.634 119.664 119.070 -0.066 0.000 2.947 434 H HA 0.374 4.929 4.556 -0.001 0.000 0.354 434 H C -2.434 172.662 175.328 -0.387 0.000 1.085 434 H CA -1.611 54.333 56.048 -0.173 0.000 1.253 434 H CB 2.574 32.291 29.762 -0.076 0.000 1.757 434 H HN 0.292 8.572 8.280 0.000 0.000 0.523 435 P HA -0.165 4.255 4.420 0.000 0.000 0.216 435 P C 0.696 177.758 177.300 -0.396 0.000 1.150 435 P CA 1.600 63.993 63.100 -1.178 0.000 0.843 435 P CB 0.205 31.426 31.700 -0.799 0.000 0.787 436 D N -0.966 119.468 120.400 0.056 0.000 2.348 436 D HA 0.027 4.667 4.640 -0.001 0.000 0.248 436 D C 1.173 177.477 176.300 0.007 0.000 1.142 436 D CA 0.340 54.326 54.000 -0.024 0.000 0.904 436 D CB -1.664 39.059 40.800 -0.129 0.000 0.901 436 D HN 0.127 8.497 8.370 0.000 0.000 0.523 437 G N 1.540 110.388 108.800 0.081 0.000 2.473 437 G HA2 -0.388 3.572 3.960 -0.001 0.000 0.307 437 G HA3 -0.388 3.572 3.960 -0.001 0.000 0.307 437 G C 0.851 175.887 174.900 0.226 0.000 0.937 437 G CA 1.273 46.477 45.100 0.174 0.000 0.947 437 G HN 0.726 9.016 8.290 0.000 0.000 0.513 438 R N -3.612 117.020 120.500 0.220 0.000 2.707 438 R HA 0.174 4.514 4.340 -0.001 0.000 0.101 438 R C 1.797 178.038 176.300 -0.098 0.000 0.851 438 R CA 0.737 56.888 56.100 0.086 0.000 2.367 438 R CB -0.754 29.539 30.300 -0.013 0.000 1.548 438 R HN 0.377 8.647 8.270 0.000 0.000 0.505 439 S N 1.646 117.235 115.700 -0.185 0.000 2.571 439 S HA -0.126 4.343 4.470 -0.001 0.000 0.245 439 S C 1.428 175.952 174.600 -0.127 0.000 0.976 439 S CA 1.281 59.305 58.200 -0.293 0.000 0.954 439 S CB -0.549 62.204 63.200 -0.745 0.000 0.756 439 S HN 0.653 8.963 8.310 0.000 0.000 0.535 440 H N -0.410 118.620 119.070 -0.067 0.000 2.497 440 H HA 0.226 4.782 4.556 -0.000 0.000 0.282 440 H C 1.064 176.385 175.328 -0.012 0.000 1.003 440 H CA 0.660 56.701 56.048 -0.012 0.000 1.307 440 H CB -1.115 28.667 29.762 0.033 0.000 1.437 440 H HN 0.413 8.693 8.280 0.000 0.000 0.544 441 R N 1.938 121.984 120.500 -0.757 0.000 2.504 441 R HA 0.197 4.537 4.340 -0.001 0.000 0.291 441 R C 1.270 177.480 176.300 -0.151 0.000 0.974 441 R CA 0.801 56.626 56.100 -0.458 0.000 1.077 441 R CB -1.873 28.192 30.300 -0.391 0.000 0.926 441 R HN 0.839 9.109 8.270 0.000 0.000 0.407 442 G N 1.745 110.516 108.800 -0.049 0.000 2.296 442 G HA2 -0.141 3.818 3.960 -0.001 0.000 0.263 442 G HA3 -0.141 3.818 3.960 -0.001 0.000 0.263 442 G C 0.615 175.542 174.900 0.045 0.000 0.887 442 G CA 0.774 45.894 45.100 0.033 0.000 1.318 442 G HN 1.965 10.255 8.290 0.000 0.000 0.403 443 I N -2.985 117.612 120.570 0.044 0.000 4.557 443 I HA 0.389 4.559 4.170 -0.001 0.000 0.333 443 I C 1.800 177.964 176.117 0.079 0.000 1.332 443 I CA -0.427 60.934 61.300 0.103 0.000 1.240 443 I CB -0.052 38.042 38.000 0.156 0.000 1.312 443 I HN 0.109 8.319 8.210 0.000 0.000 0.457 444 F N 2.091 122.086 119.950 0.074 0.000 2.120 444 F HA -0.201 4.325 4.527 -0.002 0.000 0.300 444 F C 2.927 178.697 175.800 -0.051 0.000 1.095 444 F CA 2.105 60.116 58.000 0.018 0.000 1.249 444 F CB -0.632 38.377 39.000 0.014 0.000 0.995 444 F HN 0.220 8.520 8.300 0.000 0.000 0.480 445 S N 0.085 115.872 115.700 0.145 0.000 2.354 445 S HA -0.227 4.243 4.470 -0.001 0.000 0.219 445 S C 2.283 176.834 174.600 -0.081 0.000 1.035 445 S CA 1.524 59.738 58.200 0.023 0.000 1.037 445 S CB -0.231 62.975 63.200 0.011 0.000 0.956 445 S HN 0.328 8.638 8.310 0.000 0.000 0.428 446 R N -0.035 120.359 120.500 -0.177 0.000 2.193 446 R HA -0.053 4.287 4.340 -0.001 0.000 0.229 446 R C 2.174 178.145 176.300 -0.548 0.000 1.110 446 R CA 1.224 57.049 56.100 -0.459 0.000 0.988 446 R CB -0.379 29.445 30.300 -0.793 0.000 0.871 446 R HN 0.398 8.668 8.270 0.000 0.000 0.458 447 L N 0.454 121.520 121.223 -0.263 0.000 2.121 447 L HA -0.007 4.332 4.340 -0.001 0.000 0.200 447 L C 1.918 178.767 176.870 -0.035 0.000 1.077 447 L CA 1.391 56.188 54.840 -0.072 0.000 0.766 447 L CB -0.396 41.736 42.059 0.122 0.000 0.931 447 L HN 0.036 8.266 8.230 0.000 0.000 0.452 448 L N 0.209 121.415 121.223 -0.028 0.000 2.079 448 L HA -0.216 4.124 4.340 -0.001 0.000 0.210 448 L C 2.662 179.495 176.870 -0.061 0.000 1.081 448 L CA 1.769 56.554 54.840 -0.091 0.000 0.752 448 L CB -1.715 40.241 42.059 -0.171 0.000 0.896 448 L HN 0.549 8.779 8.230 0.000 0.000 0.433 449 D N -1.103 119.255 120.400 -0.070 0.000 2.117 449 D HA -0.202 4.437 4.640 -0.001 0.000 0.198 449 D C 2.303 178.574 176.300 -0.048 0.000 0.982 449 D CA 1.414 55.378 54.000 -0.059 0.000 0.828 449 D CB -0.514 40.239 40.800 -0.078 0.000 0.967 449 D HN 0.273 8.643 8.370 0.000 0.000 0.464 450 S N -0.817 114.836 115.700 -0.077 0.000 2.383 450 S HA -0.076 4.394 4.470 -0.001 0.000 0.229 450 S C 2.181 176.789 174.600 0.013 0.000 1.030 450 S CA 1.159 59.328 58.200 -0.052 0.000 1.002 450 S CB -0.397 62.750 63.200 -0.088 0.000 0.829 450 S HN 0.533 8.843 8.310 0.000 0.000 0.467 451 L N 0.645 121.898 121.223 0.049 0.000 2.005 451 L HA -0.032 4.308 4.340 -0.001 0.000 0.207 451 L C 2.931 179.886 176.870 0.143 0.000 1.072 451 L CA 1.295 56.227 54.840 0.153 0.000 0.744 451 L CB -0.532 41.667 42.059 0.235 0.000 0.895 451 L HN 0.243 8.473 8.230 0.000 0.000 0.433 452 R N -0.068 120.476 120.500 0.075 0.000 2.105 452 R HA -0.222 4.117 4.340 -0.001 0.000 0.239 452 R C 2.614 178.944 176.300 0.049 0.000 1.135 452 R CA 1.760 57.893 56.100 0.055 0.000 0.967 452 R CB -0.772 29.542 30.300 0.023 0.000 0.861 452 R HN 0.508 8.778 8.270 0.000 0.000 0.442 453 Q N 2.057 121.876 119.800 0.033 0.000 1.985 453 Q HA -0.254 4.085 4.340 -0.001 0.000 0.207 453 Q C 1.782 177.803 176.000 0.036 0.000 0.996 453 Q CA 2.143 57.959 55.803 0.022 0.000 0.851 453 Q CB -1.041 27.699 28.738 0.004 0.000 0.921 453 Q HN 0.810 9.081 8.270 0.000 0.000 0.418 454 E N -1.512 118.718 120.200 0.049 0.000 2.472 454 E HA 0.258 4.607 4.350 -0.001 0.000 0.200 454 E C 1.456 178.104 176.600 0.079 0.000 1.046 454 E CA 0.582 57.014 56.400 0.054 0.000 0.871 454 E CB -0.105 29.622 29.700 0.045 0.000 0.806 454 E HN 0.916 9.276 8.360 0.000 0.000 0.533 455 G N 0.689 109.545 108.800 0.094 0.000 2.213 455 G HA2 -0.385 3.575 3.960 -0.001 0.000 0.236 455 G HA3 -0.385 3.575 3.960 -0.001 0.000 0.236 455 G C 0.448 175.426 174.900 0.129 0.000 0.991 455 G CA 0.127 45.280 45.100 0.090 0.000 0.629 455 G HN 0.328 8.618 8.290 0.000 0.000 0.517 456 F N 1.357 121.310 119.950 0.006 0.000 2.024 456 F HA 0.075 4.601 4.527 -0.002 0.000 0.296 456 F C 1.601 177.413 175.800 0.020 0.000 1.137 456 F CA 1.805 59.809 58.000 0.007 0.000 1.200 456 F CB -0.594 38.414 39.000 0.014 0.000 0.954 456 F HN 0.223 8.523 8.300 0.000 0.000 0.497 457 L N 0.520 121.710 121.223 -0.054 0.000 2.456 457 L HA 0.081 4.420 4.340 -0.001 0.000 0.272 457 L C 1.419 178.258 176.870 -0.053 0.000 1.189 457 L CA 0.656 55.417 54.840 -0.131 0.000 0.846 457 L CB 0.790 42.868 42.059 0.032 0.000 1.111 457 L HN 0.439 8.669 8.230 0.000 0.000 0.475 458 T N -3.248 111.279 114.554 -0.045 0.000 3.010 458 T HA 0.253 4.602 4.350 -0.001 0.000 0.252 458 T C 0.095 174.832 174.700 0.061 0.000 0.963 458 T CA -0.256 61.859 62.100 0.026 0.000 0.952 458 T CB 0.466 69.373 68.868 0.064 0.000 1.182 458 T HN 0.530 8.770 8.240 0.000 0.000 0.495 459 D N 0.611 121.041 120.400 0.050 0.000 2.570 459 D HA 0.601 5.240 4.640 -0.001 0.000 0.244 459 D C -1.725 174.599 176.300 0.041 0.000 1.178 459 D CA -0.596 53.439 54.000 0.058 0.000 0.881 459 D CB 1.738 42.591 40.800 0.087 0.000 1.453 459 D HN 0.073 8.443 8.370 0.000 0.000 0.447 460 D N 0.937 121.355 120.400 0.030 0.000 2.629 460 D HA 0.312 4.952 4.640 -0.001 0.000 0.250 460 D C 0.368 176.619 176.300 -0.081 0.000 1.126 460 D CA -0.359 53.657 54.000 0.026 0.000 0.852 460 D CB 2.428 43.307 40.800 0.131 0.000 1.335 460 D HN 0.226 8.596 8.370 0.000 0.000 0.518 461 L N 0.452 121.536 121.223 -0.232 0.000 2.445 461 L HA 0.229 4.569 4.340 -0.001 0.000 0.207 461 L C 0.217 177.061 176.870 -0.044 0.000 1.053 461 L CA 0.462 55.137 54.840 -0.276 0.000 0.841 461 L CB 0.606 42.111 42.059 -0.922 0.000 1.074 461 L HN 0.123 8.353 8.230 0.000 0.000 0.479 462 V N -0.642 119.230 119.914 -0.070 0.000 2.610 462 V HA 0.457 4.577 4.120 -0.001 0.000 0.298 462 V C -0.893 175.217 176.094 0.027 0.000 1.067 462 V CA -0.427 61.895 62.300 0.036 0.000 0.894 462 V CB 1.653 33.540 31.823 0.107 0.000 1.015 462 V HN 0.115 8.305 8.190 0.000 0.000 0.432 463 S N 3.413 119.146 115.700 0.054 0.000 2.277 463 S HA 0.434 4.904 4.470 -0.001 0.000 0.230 463 S C -0.213 174.386 174.600 -0.002 0.000 0.893 463 S CA 0.324 58.552 58.200 0.047 0.000 1.044 463 S CB 1.114 64.426 63.200 0.186 0.000 1.252 463 S HN 1.189 9.499 8.310 0.000 0.000 0.393 464 Q N 2.982 122.763 119.800 -0.030 0.000 2.837 464 Q HA 0.327 4.666 4.340 -0.001 0.000 0.235 464 Q C 0.514 176.498 176.000 -0.026 0.000 1.348 464 Q CA -0.096 55.698 55.803 -0.014 0.000 0.990 464 Q CB -0.688 28.050 28.738 -0.001 0.000 1.570 464 Q HN 0.880 9.150 8.270 0.000 0.000 0.575 465 E N 0.142 120.329 120.200 -0.023 0.000 2.511 465 E HA -0.110 4.239 4.350 -0.001 0.000 0.196 465 E C 0.801 177.405 176.600 0.007 0.000 1.066 465 E CA 0.891 57.282 56.400 -0.016 0.000 0.871 465 E CB 0.417 30.106 29.700 -0.020 0.000 0.863 465 E HN 0.911 9.271 8.360 0.000 0.000 0.520 466 E N 0.813 121.019 120.200 0.010 0.000 2.042 466 E HA -0.031 4.318 4.350 -0.001 0.000 0.189 466 E C 1.101 177.714 176.600 0.022 0.000 0.974 466 E CA 0.108 56.517 56.400 0.015 0.000 0.806 466 E CB -0.023 29.685 29.700 0.014 0.000 0.769 466 E HN 0.017 8.377 8.360 0.000 0.000 0.451 467 N N 0.562 119.276 118.700 0.025 0.000 2.503 467 N HA 0.012 4.752 4.740 -0.001 0.000 0.267 467 N C 0.555 176.095 175.510 0.050 0.000 1.214 467 N CA 0.294 53.364 53.050 0.033 0.000 0.959 467 N CB 1.483 39.990 38.487 0.033 0.000 1.142 467 N HN 0.163 8.543 8.380 0.000 0.000 0.455 468 G N 0.356 109.187 108.800 0.053 0.000 2.985 468 G HA2 -0.049 3.911 3.960 -0.001 0.000 0.209 468 G HA3 -0.049 3.911 3.960 -0.001 0.000 0.209 468 G C 1.028 175.983 174.900 0.092 0.000 1.165 468 G CA 0.489 45.632 45.100 0.071 0.000 0.776 468 G HN 0.729 9.019 8.290 0.000 0.000 0.541 469 Q N 0.109 119.960 119.800 0.084 0.000 2.228 469 Q HA 0.367 4.707 4.340 -0.001 0.000 0.211 469 Q C 0.908 176.988 176.000 0.134 0.000 0.890 469 Q CA -0.189 55.673 55.803 0.098 0.000 0.953 469 Q CB -0.441 28.338 28.738 0.068 0.000 1.053 469 Q HN 0.634 8.904 8.270 0.000 0.000 0.471 470 Q N -0.210 119.687 119.800 0.161 0.000 2.349 470 Q HA 0.027 4.366 4.340 -0.001 0.000 0.287 470 Q C 0.263 176.462 176.000 0.331 0.000 1.044 470 Q CA 0.721 56.619 55.803 0.158 0.000 0.918 470 Q CB 0.591 29.380 28.738 0.085 0.000 1.242 470 Q HN 0.698 8.968 8.270 0.000 0.000 0.405 471 Q N 2.075 122.029 119.800 0.257 0.000 2.631 471 Q HA 0.113 4.453 4.340 -0.001 0.000 0.220 471 Q C -0.369 175.874 176.000 0.405 0.000 0.819 471 Q CA 0.151 56.170 55.803 0.360 0.000 0.914 471 Q CB 0.565 29.427 28.738 0.206 0.000 1.248 471 Q HN 0.576 8.846 8.270 0.000 0.000 0.629 472 K N -0.493 120.010 120.400 0.172 0.000 2.211 472 K HA 0.464 4.784 4.320 -0.001 0.000 0.237 472 K C -1.413 175.208 176.600 0.034 0.000 1.002 472 K CA -0.790 55.600 56.287 0.171 0.000 0.885 472 K CB 1.679 34.249 32.500 0.117 0.000 1.136 472 K HN -0.063 8.187 8.250 0.000 0.000 0.448 473 Y N 1.033 121.335 120.300 0.003 0.000 2.401 473 Y HA 0.396 4.946 4.550 0.001 0.000 0.330 473 Y C -2.149 173.775 175.900 0.041 0.000 1.071 473 Y CA -1.101 56.957 58.100 -0.071 0.000 1.049 473 Y CB 1.473 39.893 38.460 -0.067 0.000 1.239 473 Y HN 0.563 8.843 8.280 0.000 0.000 0.437 474 L N 7.298 128.084 121.223 -0.728 0.000 2.377 474 L HA 0.868 5.208 4.340 -0.001 0.000 0.270 474 L C 0.170 176.478 176.870 -0.937 0.000 0.991 474 L CA -0.526 53.921 54.840 -0.655 0.000 0.851 474 L CB 1.320 43.256 42.059 -0.206 0.000 1.218 474 L HN 0.885 9.115 8.230 0.000 0.000 0.420 475 G N 2.244 110.464 108.800 -0.966 0.000 3.058 475 G HA2 0.771 4.730 3.960 -0.001 0.000 0.282 475 G HA3 0.771 4.730 3.960 -0.001 0.000 0.282 475 G C -1.472 173.222 174.900 -0.344 0.000 1.248 475 G CA -0.479 44.277 45.100 -0.573 0.000 0.822 475 G HN 0.151 8.441 8.290 0.000 0.000 0.579 476 V N -0.181 119.635 119.914 -0.165 0.000 2.709 476 V HA 0.590 4.710 4.120 -0.001 0.000 0.308 476 V C 0.174 176.169 176.094 -0.165 0.000 1.062 476 V CA -0.634 61.595 62.300 -0.118 0.000 0.901 476 V CB 0.876 32.678 31.823 -0.034 0.000 1.003 476 V HN 1.317 9.507 8.190 0.000 0.000 0.425 477 C N 3.232 122.373 119.300 -0.265 0.000 3.256 477 C HA 1.024 5.483 4.460 -0.001 0.000 0.361 477 C C -0.496 174.232 174.990 -0.436 0.000 1.665 477 C CA -0.967 57.723 59.018 -0.547 0.000 1.445 477 C CB 2.085 29.160 27.740 -1.110 0.000 2.144 477 C HN 1.081 9.311 8.230 0.000 0.000 0.448 478 R N 0.358 120.567 120.500 -0.484 0.000 3.262 478 R HA 0.430 4.769 4.340 -0.001 0.000 0.270 478 R C -1.604 174.675 176.300 -0.034 0.000 1.147 478 R CA -0.460 55.480 56.100 -0.267 0.000 1.189 478 R CB 0.557 30.594 30.300 -0.438 0.000 1.271 478 R HN 0.927 9.197 8.270 0.000 0.000 0.447 479 L N 4.393 125.669 121.223 0.089 0.000 2.476 479 L HA 0.358 4.698 4.340 -0.001 0.000 0.264 479 L C -1.762 175.149 176.870 0.069 0.000 1.224 479 L CA -1.753 53.186 54.840 0.166 0.000 0.821 479 L CB 0.158 42.290 42.059 0.121 0.000 1.101 479 L HN 0.448 8.678 8.230 0.000 0.000 0.488 480 P HA 0.360 4.780 4.420 0.000 0.000 0.274 480 P C -0.219 177.090 177.300 0.015 0.000 1.237 480 P CA 0.109 63.229 63.100 0.033 0.000 0.793 480 P CB 0.976 32.695 31.700 0.032 0.000 0.977 481 G N 1.243 110.047 108.800 0.007 0.000 2.440 481 G HA2 0.075 4.034 3.960 -0.001 0.000 0.684 481 G HA3 0.075 4.034 3.960 -0.001 0.000 0.684 481 G C -3.131 171.768 174.900 -0.003 0.000 1.309 481 G CA -0.981 44.121 45.100 0.003 0.000 0.931 481 G HN 0.530 8.820 8.290 0.000 0.000 0.612 482 P HA 0.502 4.922 4.420 0.000 0.000 0.282 482 P C 0.846 178.145 177.300 -0.001 0.000 1.249 482 P CA 1.138 64.238 63.100 -0.000 0.000 0.806 482 P CB 1.138 32.840 31.700 0.003 0.000 0.984 483 G N 1.732 110.532 108.800 -0.001 0.000 2.273 483 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.280 483 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.280 483 G C 0.075 174.971 174.900 -0.008 0.000 1.047 483 G CA -0.310 44.791 45.100 0.001 0.000 0.869 483 G HN 0.596 8.886 8.290 0.000 0.000 0.502 484 R N -0.173 120.311 120.500 -0.026 0.000 2.346 484 R HA 0.495 4.835 4.340 -0.001 0.000 0.311 484 R C 0.859 177.110 176.300 -0.083 0.000 0.983 484 R CA -0.556 55.513 56.100 -0.051 0.000 0.880 484 R CB 1.036 31.294 30.300 -0.070 0.000 1.100 484 R HN 0.442 8.712 8.270 0.000 0.000 0.453 485 R N 0.973 121.433 120.500 -0.066 0.000 2.549 485 R HA 0.284 4.623 4.340 -0.001 0.000 0.267 485 R C -0.414 175.802 176.300 -0.141 0.000 1.045 485 R CA -0.805 55.268 56.100 -0.045 0.000 1.115 485 R CB 0.702 31.004 30.300 0.003 0.000 1.121 485 R HN 0.473 8.743 8.270 0.000 0.000 0.543 486 H N 1.346 120.319 119.070 -0.161 0.000 2.742 486 H HA 0.206 4.762 4.556 -0.001 0.000 0.302 486 H C -0.185 175.085 175.328 -0.098 0.000 1.069 486 H CA -0.045 55.857 56.048 -0.242 0.000 1.446 486 H CB 0.549 29.959 29.762 -0.587 0.000 1.462 486 H HN 0.011 8.291 8.280 0.000 0.000 0.499 487 R N 2.709 123.220 120.500 0.019 0.000 2.604 487 R HA 0.407 4.746 4.340 -0.001 0.000 0.287 487 R C 0.012 176.344 176.300 0.054 0.000 0.970 487 R CA -0.882 55.262 56.100 0.073 0.000 0.946 487 R CB 1.301 31.607 30.300 0.011 0.000 1.127 487 R HN 0.638 8.908 8.270 0.000 0.000 0.473 488 R N 1.442 121.950 120.500 0.013 0.000 2.298 488 R HA 0.231 4.570 4.340 -0.001 0.000 0.310 488 R C -0.176 176.048 176.300 -0.126 0.000 1.068 488 R CA -0.576 55.419 56.100 -0.175 0.000 0.957 488 R CB 0.559 30.653 30.300 -0.344 0.000 1.003 488 R HN 0.178 8.448 8.270 0.000 0.000 0.454 489 L N 2.255 123.388 121.223 -0.149 0.000 2.331 489 L HA 0.376 4.716 4.340 -0.001 0.000 0.275 489 L C -0.701 176.124 176.870 -0.075 0.000 1.022 489 L CA -0.024 54.781 54.840 -0.059 0.000 0.812 489 L CB 1.715 43.785 42.059 0.019 0.000 1.257 489 L HN 0.505 8.735 8.230 0.000 0.000 0.435 490 D N 4.741 125.177 120.400 0.060 0.000 2.386 490 D HA 0.373 5.012 4.640 -0.001 0.000 0.247 490 D C -1.280 175.244 176.300 0.373 0.000 1.336 490 D CA -0.089 54.010 54.000 0.166 0.000 0.976 490 D CB 0.950 41.859 40.800 0.181 0.000 1.257 490 D HN 0.427 8.797 8.370 0.000 0.000 0.570 491 I N 4.256 125.085 120.570 0.431 0.000 2.530 491 I HA 0.534 4.704 4.170 -0.001 0.000 0.297 491 I C 0.187 176.609 176.117 0.509 0.000 1.011 491 I CA -1.077 60.531 61.300 0.513 0.000 1.107 491 I CB 2.171 40.516 38.000 0.576 0.000 1.285 491 I HN 0.266 8.476 8.210 0.000 0.000 0.436 492 I N 2.942 123.734 120.570 0.369 0.000 2.769 492 I HA 0.713 4.883 4.170 -0.001 0.000 0.298 492 I C -1.370 174.849 176.117 0.170 0.000 1.128 492 I CA -0.935 60.530 61.300 0.275 0.000 1.031 492 I CB 2.297 40.250 38.000 -0.078 0.000 1.235 492 I HN 0.171 8.381 8.210 0.000 0.000 0.423 493 V N 5.386 125.382 119.914 0.137 0.000 2.495 493 V HA 0.725 4.845 4.120 -0.001 0.000 0.298 493 V C 0.010 176.177 176.094 0.122 0.000 1.031 493 V CA -0.557 61.758 62.300 0.026 0.000 0.871 493 V CB 1.576 33.275 31.823 -0.206 0.000 0.988 493 V HN 0.715 8.905 8.190 0.000 0.000 0.432 494 V N 2.885 122.851 119.914 0.087 0.000 3.007 494 V HA 0.760 4.880 4.120 -0.001 0.000 0.311 494 V C -3.015 172.944 176.094 -0.225 0.000 1.120 494 V CA -2.994 59.331 62.300 0.040 0.000 0.980 494 V CB 2.253 34.127 31.823 0.084 0.000 1.033 494 V HN 0.630 8.820 8.190 0.000 0.000 0.429 495 P HA 0.159 4.579 4.420 0.000 0.000 0.268 495 P C -0.245 176.971 177.300 -0.141 0.000 1.204 495 P CA 0.175 62.953 63.100 -0.536 0.000 0.768 495 P CB 0.143 31.779 31.700 -0.107 0.000 0.842 496 Y N 2.685 122.855 120.300 -0.218 0.000 2.716 496 Y HA -0.165 4.385 4.550 -0.001 0.000 0.302 496 Y C 1.733 177.647 175.900 0.023 0.000 1.160 496 Y CA 1.697 59.749 58.100 -0.079 0.000 1.362 496 Y CB -0.371 38.039 38.460 -0.082 0.000 0.988 496 Y HN 0.316 8.596 8.280 0.000 0.000 0.546 497 S N -2.103 113.610 115.700 0.022 0.000 2.548 497 S HA 0.062 4.532 4.470 -0.001 0.000 0.215 497 S C 1.128 175.734 174.600 0.011 0.000 0.976 497 S CA 0.348 58.552 58.200 0.007 0.000 0.908 497 S CB -0.016 63.214 63.200 0.051 0.000 0.781 497 S HN 0.604 8.914 8.310 0.000 0.000 0.519 498 E N -0.284 119.937 120.200 0.034 0.000 2.539 498 E HA 0.242 4.592 4.350 -0.001 0.000 0.215 498 E C 0.770 177.416 176.600 0.076 0.000 0.965 498 E CA -0.362 56.075 56.400 0.061 0.000 1.019 498 E CB -0.117 29.641 29.700 0.097 0.000 1.059 498 E HN 0.392 8.752 8.360 0.000 0.000 0.496 499 F N 3.000 122.882 119.950 -0.113 0.000 2.048 499 F HA -0.379 4.148 4.527 -0.001 0.000 0.296 499 F C 2.298 178.077 175.800 -0.035 0.000 1.109 499 F CA 2.150 60.089 58.000 -0.102 0.000 1.214 499 F CB -0.549 38.292 39.000 -0.265 0.000 0.963 499 F HN 0.046 8.346 8.300 0.000 0.000 0.491 500 A N -1.110 121.650 122.820 -0.101 0.000 1.940 500 A HA -0.254 4.066 4.320 -0.001 0.000 0.219 500 A C 2.353 179.892 177.584 -0.076 0.000 1.176 500 A CA 1.932 53.887 52.037 -0.137 0.000 0.631 500 A CB -1.609 17.383 19.000 -0.012 0.000 0.814 500 A HN 0.592 8.742 8.150 0.000 0.000 0.446 501 C N -1.661 117.626 119.300 -0.022 0.000 2.495 501 C HA 0.346 4.806 4.460 -0.001 0.000 0.275 501 C C 3.162 178.173 174.990 0.034 0.000 1.392 501 C CA 0.271 59.299 59.018 0.018 0.000 1.766 501 C CB -0.947 26.806 27.740 0.021 0.000 1.933 501 C HN 0.706 8.936 8.230 0.000 0.000 0.519 502 A N 0.075 122.897 122.820 0.004 0.000 1.930 502 A HA -0.009 4.311 4.320 -0.001 0.000 0.215 502 A C 1.951 179.590 177.584 0.092 0.000 1.176 502 A CA 0.987 53.064 52.037 0.067 0.000 0.632 502 A CB -0.470 18.560 19.000 0.050 0.000 0.819 502 A HN 0.439 8.589 8.150 0.000 0.000 0.445 503 L N -0.679 120.481 121.223 -0.105 0.000 2.056 503 L HA -0.073 4.266 4.340 -0.001 0.000 0.207 503 L C 2.227 179.103 176.870 0.010 0.000 1.078 503 L CA 1.728 56.486 54.840 -0.137 0.000 0.749 503 L CB -0.566 41.212 42.059 -0.468 0.000 0.901 503 L HN 0.350 8.580 8.230 0.000 0.000 0.433 504 L N -1.391 119.860 121.223 0.047 0.000 1.989 504 L HA -0.253 4.086 4.340 -0.001 0.000 0.211 504 L C 2.411 179.389 176.870 0.181 0.000 1.071 504 L CA 2.129 57.048 54.840 0.131 0.000 0.749 504 L CB -1.018 41.145 42.059 0.173 0.000 0.890 504 L HN 0.493 8.723 8.230 0.000 0.000 0.431 505 Y N -0.470 119.881 120.300 0.086 0.000 2.049 505 Y HA -0.332 4.218 4.550 -0.001 0.000 0.277 505 Y C 2.328 178.355 175.900 0.211 0.000 1.143 505 Y CA 2.040 60.208 58.100 0.114 0.000 1.115 505 Y CB -1.128 37.356 38.460 0.041 0.000 0.975 505 Y HN 0.213 8.493 8.280 0.000 0.000 0.487 506 F N 0.097 119.853 119.950 -0.323 0.000 2.408 506 F HA -0.222 4.305 4.527 -0.001 0.000 0.300 506 F C 1.973 177.643 175.800 -0.216 0.000 1.090 506 F CA 1.187 58.950 58.000 -0.396 0.000 1.427 506 F CB 0.072 38.998 39.000 -0.124 0.000 1.070 506 F HN 0.169 8.469 8.300 0.000 0.000 0.549 507 T N -0.436 114.109 114.554 -0.016 0.000 2.978 507 T HA 0.148 4.498 4.350 -0.001 0.000 0.262 507 T C 1.217 175.846 174.700 -0.118 0.000 1.063 507 T CA 0.739 62.788 62.100 -0.085 0.000 1.140 507 T CB -0.522 68.307 68.868 -0.065 0.000 0.886 507 T HN 0.569 8.809 8.240 0.000 0.000 0.470 508 G N 1.630 110.389 108.800 -0.068 0.000 2.564 508 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.273 508 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.273 508 G C 0.392 175.223 174.900 -0.115 0.000 1.242 508 G CA 0.057 45.147 45.100 -0.017 0.000 0.951 508 G HN 1.015 9.305 8.290 0.000 0.000 0.564 509 S N 0.142 115.812 115.700 -0.049 0.000 2.626 509 S HA 0.648 5.117 4.470 -0.001 0.000 0.257 509 S C 1.945 176.637 174.600 0.153 0.000 1.288 509 S CA 0.792 59.023 58.200 0.052 0.000 0.980 509 S CB 1.106 64.350 63.200 0.073 0.000 0.975 509 S HN 2.346 10.656 8.310 0.000 0.000 0.577 510 A N 1.534 124.418 122.820 0.106 0.000 1.859 510 A HA 0.057 4.377 4.320 -0.001 0.000 0.217 510 A C 2.536 180.207 177.584 0.146 0.000 1.198 510 A CA 2.418 54.523 52.037 0.113 0.000 0.629 510 A CB -1.935 17.108 19.000 0.072 0.000 0.830 510 A HN 1.511 9.661 8.150 0.000 0.000 0.446 511 A N -1.298 121.614 122.820 0.153 0.000 1.892 511 A HA -0.174 4.145 4.320 -0.001 0.000 0.218 511 A C 2.111 179.805 177.584 0.183 0.000 1.188 511 A CA 1.960 54.092 52.037 0.159 0.000 0.631 511 A CB -0.866 18.250 19.000 0.193 0.000 0.822 511 A HN 0.833 8.983 8.150 0.000 0.000 0.447 512 F N 1.399 121.403 119.950 0.090 0.000 2.095 512 F HA -0.239 4.288 4.527 -0.001 0.000 0.298 512 F C 2.103 177.928 175.800 0.042 0.000 1.104 512 F CA 2.124 60.164 58.000 0.066 0.000 1.232 512 F CB -0.264 38.761 39.000 0.041 0.000 0.987 512 F HN 0.226 8.526 8.300 0.000 0.000 0.475 513 N N 1.057 119.890 118.700 0.222 0.000 2.013 513 N HA -0.198 4.542 4.740 -0.001 0.000 0.195 513 N C 2.123 177.626 175.510 -0.010 0.000 1.051 513 N CA 1.820 54.940 53.050 0.115 0.000 0.851 513 N CB -1.260 37.355 38.487 0.213 0.000 1.044 513 N HN 0.407 8.787 8.380 0.000 0.000 0.422 514 A N 0.872 123.713 122.820 0.036 0.000 1.903 514 A HA -0.200 4.119 4.320 -0.001 0.000 0.219 514 A C 2.539 180.104 177.584 -0.032 0.000 1.191 514 A CA 2.313 54.362 52.037 0.019 0.000 0.638 514 A CB -0.968 18.060 19.000 0.048 0.000 0.823 514 A HN 0.337 8.487 8.150 0.000 0.000 0.451 515 S N -0.937 114.724 115.700 -0.066 0.000 2.351 515 S HA -0.235 4.235 4.470 -0.001 0.000 0.220 515 S C 2.074 176.558 174.600 -0.192 0.000 1.035 515 S CA 1.826 59.961 58.200 -0.108 0.000 1.031 515 S CB -0.456 62.674 63.200 -0.117 0.000 0.928 515 S HN 0.671 8.981 8.310 0.000 0.000 0.433 516 M N 1.385 120.774 119.600 -0.351 0.000 2.080 516 M HA -0.146 4.333 4.480 -0.001 0.000 0.260 516 M C 2.151 178.321 176.300 -0.217 0.000 1.068 516 M CA 1.508 56.576 55.300 -0.386 0.000 1.109 516 M CB -0.133 32.100 32.600 -0.611 0.000 1.342 516 M HN 0.134 8.424 8.290 0.000 0.000 0.405 517 R N 0.093 120.504 120.500 -0.147 0.000 2.096 517 R HA -0.107 4.232 4.340 -0.001 0.000 0.235 517 R C 2.303 178.564 176.300 -0.064 0.000 1.127 517 R CA 1.404 57.455 56.100 -0.081 0.000 0.968 517 R CB -0.674 29.605 30.300 -0.036 0.000 0.861 517 R HN 0.527 8.797 8.270 0.000 0.000 0.440 518 A N 1.505 124.289 122.820 -0.060 0.000 1.908 518 A HA -0.181 4.139 4.320 -0.001 0.000 0.218 518 A C 2.110 179.664 177.584 -0.051 0.000 1.181 518 A CA 1.194 53.208 52.037 -0.039 0.000 0.627 518 A CB -0.513 18.471 19.000 -0.026 0.000 0.818 518 A HN 0.253 8.403 8.150 0.000 0.000 0.445 519 L N -0.046 121.130 121.223 -0.077 0.000 1.989 519 L HA -0.119 4.220 4.340 -0.001 0.000 0.211 519 L C 2.675 179.507 176.870 -0.063 0.000 1.071 519 L CA 2.469 57.265 54.840 -0.074 0.000 0.749 519 L CB -1.006 40.991 42.059 -0.104 0.000 0.890 519 L HN 0.359 8.589 8.230 0.000 0.000 0.431 520 A N -0.471 122.304 122.820 -0.074 0.000 1.927 520 A HA -0.342 3.978 4.320 -0.001 0.000 0.220 520 A C 2.467 180.029 177.584 -0.037 0.000 1.185 520 A CA 2.285 54.288 52.037 -0.057 0.000 0.639 520 A CB -0.855 18.109 19.000 -0.060 0.000 0.820 520 A HN 0.566 8.716 8.150 0.000 0.000 0.451 521 K N -0.510 119.869 120.400 -0.034 0.000 2.360 521 K HA -0.171 4.148 4.320 -0.001 0.000 0.201 521 K C 1.903 178.491 176.600 -0.020 0.000 1.046 521 K CA 1.849 58.123 56.287 -0.022 0.000 0.940 521 K CB -0.233 32.256 32.500 -0.018 0.000 0.748 521 K HN 0.742 8.992 8.250 0.000 0.000 0.465 522 T N -2.710 111.829 114.554 -0.025 0.000 3.009 522 T HA 0.073 4.422 4.350 -0.001 0.000 0.258 522 T C 1.399 176.089 174.700 -0.017 0.000 1.063 522 T CA 0.304 62.391 62.100 -0.021 0.000 1.139 522 T CB 0.090 68.944 68.868 -0.024 0.000 0.890 522 T HN -0.045 8.195 8.240 0.000 0.000 0.471 523 K N 1.344 121.733 120.400 -0.019 0.000 2.505 523 K HA 0.438 4.758 4.320 -0.001 0.000 0.192 523 K C 1.325 177.919 176.600 -0.011 0.000 1.025 523 K CA 0.427 56.706 56.287 -0.014 0.000 1.086 523 K CB -0.516 31.975 32.500 -0.016 0.000 0.840 523 K HN 0.553 8.803 8.250 0.000 0.000 0.514 524 G N 0.598 109.391 108.800 -0.011 0.000 2.160 524 G HA2 -0.307 3.653 3.960 -0.001 0.000 0.251 524 G HA3 -0.307 3.653 3.960 -0.001 0.000 0.251 524 G C 0.092 174.988 174.900 -0.007 0.000 1.008 524 G CA 0.612 45.708 45.100 -0.008 0.000 0.724 524 G HN 0.248 8.538 8.290 0.000 0.000 0.514 525 M N -0.893 118.701 119.600 -0.011 0.000 2.758 525 M HA 0.770 5.249 4.480 -0.001 0.000 0.281 525 M C 0.277 176.569 176.300 -0.012 0.000 1.082 525 M CA -0.836 54.458 55.300 -0.011 0.000 0.866 525 M CB 2.251 34.843 32.600 -0.014 0.000 1.662 525 M HN 0.268 8.558 8.290 0.000 0.000 0.515 526 S N 0.696 116.389 115.700 -0.012 0.000 2.603 526 S HA 0.624 5.093 4.470 -0.001 0.000 0.274 526 S C -2.064 172.528 174.600 -0.013 0.000 1.168 526 S CA -0.690 57.503 58.200 -0.012 0.000 0.963 526 S CB 1.252 64.450 63.200 -0.003 0.000 1.078 526 S HN 0.507 8.817 8.310 0.000 0.000 0.477 527 L N 4.531 125.741 121.223 -0.022 0.000 2.334 527 L HA 0.953 5.292 4.340 -0.001 0.000 0.276 527 L C -0.230 176.622 176.870 -0.030 0.000 1.014 527 L CA 0.422 55.247 54.840 -0.025 0.000 0.815 527 L CB 1.844 43.878 42.059 -0.042 0.000 1.268 527 L HN 0.914 9.144 8.230 0.000 0.000 0.428 528 S N 1.762 117.437 115.700 -0.042 0.000 2.703 528 S HA 0.349 4.818 4.470 -0.001 0.000 0.273 528 S C 0.100 174.597 174.600 -0.172 0.000 1.178 528 S CA -0.121 58.008 58.200 -0.119 0.000 0.838 528 S CB 0.753 63.891 63.200 -0.104 0.000 1.178 528 S HN 0.667 8.977 8.310 0.000 0.000 0.494 529 E N 0.491 120.440 120.200 -0.419 0.000 2.482 529 E HA -0.101 4.249 4.350 -0.001 0.000 0.196 529 E C 0.664 177.090 176.600 -0.290 0.000 1.047 529 E CA 0.935 57.092 56.400 -0.404 0.000 0.869 529 E CB -0.471 28.768 29.700 -0.768 0.000 0.836 529 E HN 0.732 9.092 8.360 0.000 0.000 0.520 530 H N 1.254 120.270 119.070 -0.089 0.000 2.388 530 H HA 0.493 5.049 4.556 -0.001 0.000 0.304 530 H C 1.055 176.370 175.328 -0.022 0.000 1.049 530 H CA 1.179 57.200 56.048 -0.045 0.000 1.371 530 H CB 0.652 30.389 29.762 -0.043 0.000 1.436 530 H HN 0.351 8.631 8.280 0.000 0.000 0.544 531 A N 0.084 122.962 122.820 0.098 0.000 2.452 531 A HA 0.335 4.654 4.320 -0.001 0.000 0.294 531 A C -1.978 175.626 177.584 0.033 0.000 1.010 531 A CA -0.746 51.325 52.037 0.056 0.000 0.613 531 A CB 0.220 19.255 19.000 0.058 0.000 1.363 531 A HN 0.078 8.228 8.150 0.000 0.000 0.463 532 L N 1.496 122.734 121.223 0.025 0.000 2.264 532 L HA 0.719 5.058 4.340 -0.001 0.000 0.287 532 L C -0.028 176.850 176.870 0.013 0.000 1.039 532 L CA 0.364 55.211 54.840 0.012 0.000 0.829 532 L CB 0.619 42.684 42.059 0.009 0.000 1.211 532 L HN 0.666 8.896 8.230 0.000 0.000 0.427 533 S N 1.624 117.331 115.700 0.010 0.000 2.758 533 S HA 0.744 5.213 4.470 -0.001 0.000 0.292 533 S C 0.146 174.749 174.600 0.005 0.000 1.131 533 S CA -0.204 58.002 58.200 0.009 0.000 0.997 533 S CB 1.476 64.683 63.200 0.010 0.000 1.111 533 S HN 0.779 9.089 8.310 0.000 0.000 0.552 534 T N -0.899 113.658 114.554 0.005 0.000 2.888 534 T HA 0.742 5.092 4.350 -0.001 0.000 0.283 534 T C 0.236 174.937 174.700 0.002 0.000 1.013 534 T CA -0.695 61.407 62.100 0.003 0.000 0.938 534 T CB 0.186 69.057 68.868 0.004 0.000 1.298 534 T HN 0.728 8.968 8.240 0.000 0.000 0.580 535 A N 0.918 123.739 122.820 0.001 0.000 2.540 535 A HA 0.479 4.798 4.320 -0.001 0.000 0.239 535 A C 0.853 178.439 177.584 0.003 0.000 1.061 535 A CA -0.348 51.690 52.037 0.001 0.000 0.758 535 A CB -0.852 18.149 19.000 0.001 0.000 0.991 535 A HN 1.467 9.617 8.150 0.000 0.000 0.502 536 V N 1.867 121.783 119.914 0.003 0.000 2.881 536 V HA 0.483 4.602 4.120 -0.001 0.000 0.303 536 V C 0.488 176.584 176.094 0.004 0.000 1.070 536 V CA -0.815 61.487 62.300 0.003 0.000 1.074 536 V CB 0.893 32.718 31.823 0.002 0.000 1.012 536 V HN 0.646 8.836 8.190 0.000 0.000 0.482 537 V N 5.493 125.409 119.914 0.003 0.000 2.521 537 V HA 0.354 4.474 4.120 -0.001 0.000 0.286 537 V C 0.610 176.707 176.094 0.005 0.000 1.034 537 V CA 0.031 62.333 62.300 0.004 0.000 1.045 537 V CB -0.195 31.629 31.823 0.002 0.000 0.974 537 V HN 1.006 9.196 8.190 0.000 0.000 0.480 538 R N 3.736 124.242 120.500 0.010 0.000 2.514 538 R HA 0.381 4.721 4.340 -0.001 0.000 0.296 538 R C -0.307 176.008 176.300 0.025 0.000 1.012 538 R CA -0.848 55.261 56.100 0.015 0.000 0.897 538 R CB 1.411 31.722 30.300 0.018 0.000 1.184 538 R HN 0.847 9.117 8.270 0.000 0.000 0.440 539 N N 0.666 119.383 118.700 0.028 0.000 2.221 539 N HA -0.056 4.683 4.740 -0.001 0.000 0.239 539 N C 0.693 176.258 175.510 0.091 0.000 1.328 539 N CA 0.026 53.106 53.050 0.050 0.000 0.878 539 N CB -0.003 38.506 38.487 0.036 0.000 1.083 539 N HN 0.338 8.718 8.380 0.000 0.000 0.471 540 T N -0.733 113.897 114.554 0.127 0.000 2.624 540 T HA -0.236 4.114 4.350 -0.001 0.000 0.268 540 T C 1.320 176.088 174.700 0.113 0.000 1.041 540 T CA 2.197 64.362 62.100 0.109 0.000 1.159 540 T CB -0.867 68.061 68.868 0.099 0.000 0.863 540 T HN 0.525 8.765 8.240 0.000 0.000 0.434 541 H N 0.693 119.762 119.070 -0.001 0.000 2.390 541 H HA 0.159 4.714 4.556 -0.001 0.000 0.298 541 H C 1.886 177.213 175.328 -0.002 0.000 1.106 541 H CA 1.192 57.239 56.048 -0.002 0.000 1.297 541 H CB -0.636 29.125 29.762 -0.001 0.000 1.375 541 H HN 0.604 8.884 8.280 0.000 0.000 0.509 542 G N -1.350 107.531 108.800 0.134 0.000 2.145 542 G HA2 -0.054 3.905 3.960 -0.001 0.000 0.176 542 G HA3 -0.054 3.905 3.960 -0.001 0.000 0.176 542 G C 0.014 174.946 174.900 0.054 0.000 1.013 542 G CA -0.024 45.117 45.100 0.068 0.000 0.689 542 G HN 0.699 8.989 8.290 0.000 0.000 0.506 543 A N -0.054 122.797 122.820 0.051 0.000 2.274 543 A HA 0.884 5.204 4.320 -0.001 0.000 0.309 543 A C 0.642 178.228 177.584 0.003 0.000 1.226 543 A CA 0.769 52.816 52.037 0.016 0.000 0.853 543 A CB 0.508 19.497 19.000 -0.017 0.000 1.146 543 A HN 1.852 10.002 8.150 0.000 0.000 0.518 544 K N 1.444 121.845 120.400 0.002 0.000 2.366 544 K HA 0.424 4.743 4.320 -0.001 0.000 0.279 544 K C 0.564 177.159 176.600 -0.009 0.000 1.098 544 K CA 0.690 56.976 56.287 -0.001 0.000 1.087 544 K CB -0.744 31.756 32.500 -0.000 0.000 0.901 544 K HN 1.824 10.074 8.250 0.000 0.000 0.463 545 V N 1.203 121.112 119.914 -0.009 0.000 3.523 545 V HA 0.531 4.650 4.120 -0.001 0.000 0.255 545 V C 1.043 177.131 176.094 -0.010 0.000 1.226 545 V CA 1.294 63.585 62.300 -0.014 0.000 1.092 545 V CB 0.175 31.988 31.823 -0.017 0.000 0.817 545 V HN 0.979 9.169 8.190 0.000 0.000 0.458 546 G N -0.538 108.259 108.800 -0.006 0.000 2.706 546 G HA2 0.596 4.555 3.960 -0.001 0.000 0.297 546 G HA3 0.596 4.555 3.960 -0.001 0.000 0.297 546 G C -3.510 171.388 174.900 -0.003 0.000 1.403 546 G CA -1.320 43.777 45.100 -0.005 0.000 0.954 546 G HN 0.013 8.303 8.290 0.000 0.000 0.500 547 P HA 0.325 4.745 4.420 0.000 0.000 0.272 547 P C 0.698 177.997 177.300 -0.000 0.000 1.240 547 P CA 0.059 63.157 63.100 -0.003 0.000 0.791 547 P CB 1.027 32.723 31.700 -0.007 0.000 0.978 548 G N 0.547 109.348 108.800 0.001 0.000 2.557 548 G HA2 0.328 4.287 3.960 -0.001 0.000 0.292 548 G HA3 0.328 4.287 3.960 -0.001 0.000 0.292 548 G C -0.770 174.133 174.900 0.004 0.000 1.237 548 G CA -0.689 44.413 45.100 0.003 0.000 0.978 548 G HN 0.426 8.716 8.290 0.000 0.000 0.498 549 R N 0.039 120.543 120.500 0.006 0.000 2.242 549 R HA 0.277 4.616 4.340 -0.001 0.000 0.334 549 R C -0.328 175.978 176.300 0.010 0.000 1.071 549 R CA -0.437 55.668 56.100 0.007 0.000 0.922 549 R CB 0.292 30.596 30.300 0.008 0.000 1.023 549 R HN 0.180 8.450 8.270 0.000 0.000 0.458 550 V N 7.397 127.317 119.914 0.011 0.000 2.458 550 V HA -0.013 4.107 4.120 -0.001 0.000 0.287 550 V C 0.768 176.872 176.094 0.017 0.000 1.009 550 V CA 0.262 62.571 62.300 0.015 0.000 1.091 550 V CB 0.263 32.096 31.823 0.017 0.000 0.960 550 V HN 0.658 8.848 8.190 0.000 0.000 0.476 551 L N 8.190 129.424 121.223 0.019 0.000 2.417 551 L HA 0.361 4.701 4.340 -0.001 0.000 0.268 551 L C -1.725 175.160 176.870 0.025 0.000 1.158 551 L CA -1.634 53.219 54.840 0.021 0.000 0.819 551 L CB 0.678 42.749 42.059 0.021 0.000 1.112 551 L HN 0.451 8.681 8.230 0.000 0.000 0.458 552 P HA 0.063 4.483 4.420 0.000 0.000 0.275 552 P C -0.526 176.794 177.300 0.033 0.000 1.276 552 P CA -0.173 62.943 63.100 0.027 0.000 0.782 552 P CB 0.358 32.074 31.700 0.026 0.000 0.851 553 T N 0.777 115.351 114.554 0.033 0.000 3.327 553 T HA 0.377 4.726 4.350 -0.001 0.000 0.373 553 T C -2.138 172.582 174.700 0.033 0.000 1.589 553 T CA -1.982 60.143 62.100 0.042 0.000 1.497 553 T CB 0.841 69.738 68.868 0.049 0.000 1.032 553 T HN 0.024 8.264 8.240 0.000 0.000 0.640 554 P HA 0.011 4.431 4.420 0.000 0.000 0.218 554 P C 0.889 178.206 177.300 0.029 0.000 1.149 554 P CA 1.091 64.201 63.100 0.018 0.000 0.817 554 P CB 0.196 31.910 31.700 0.022 0.000 0.785 555 T N -5.276 109.301 114.554 0.039 0.000 2.831 555 T HA 0.318 4.668 4.350 -0.001 0.000 0.287 555 T C 0.873 175.619 174.700 0.076 0.000 1.070 555 T CA -0.782 61.343 62.100 0.042 0.000 1.010 555 T CB 1.554 70.431 68.868 0.014 0.000 1.264 555 T HN -0.131 8.109 8.240 0.000 0.000 0.532 556 E N 0.341 120.604 120.200 0.105 0.000 2.072 556 E HA -0.097 4.252 4.350 -0.001 0.000 0.191 556 E C 1.972 178.791 176.600 0.366 0.000 0.985 556 E CA 0.886 57.436 56.400 0.249 0.000 0.801 556 E CB -0.117 29.779 29.700 0.327 0.000 0.750 556 E HN 0.590 8.950 8.360 0.000 0.000 0.452 557 K N 1.000 121.514 120.400 0.189 0.000 2.089 557 K HA -0.212 4.108 4.320 -0.001 0.000 0.210 557 K C 1.802 178.536 176.600 0.224 0.000 1.048 557 K CA 1.657 58.027 56.287 0.138 0.000 0.926 557 K CB -0.158 32.239 32.500 -0.172 0.000 0.714 557 K HN 0.147 8.397 8.250 0.000 0.000 0.448 558 D N 0.480 120.969 120.400 0.149 0.000 2.149 558 D HA -0.131 4.509 4.640 -0.001 0.000 0.198 558 D C 1.991 178.389 176.300 0.164 0.000 0.990 558 D CA 1.062 55.138 54.000 0.127 0.000 0.839 558 D CB -0.110 40.737 40.800 0.079 0.000 0.948 558 D HN -0.002 8.368 8.370 0.000 0.000 0.460 559 V N 0.858 120.899 119.914 0.211 0.000 2.343 559 V HA -0.237 3.882 4.120 -0.001 0.000 0.247 559 V C 2.180 178.362 176.094 0.146 0.000 1.051 559 V CA 1.331 63.723 62.300 0.153 0.000 1.036 559 V CB -0.593 31.314 31.823 0.140 0.000 0.654 559 V HN 0.027 8.217 8.190 0.000 0.000 0.451 560 F N 0.400 120.415 119.950 0.108 0.000 2.031 560 F HA -0.115 4.411 4.527 -0.001 0.000 0.295 560 F C 2.631 178.476 175.800 0.075 0.000 1.133 560 F CA 2.081 60.143 58.000 0.103 0.000 1.188 560 F CB -0.835 38.261 39.000 0.159 0.000 0.974 560 F HN -0.050 8.250 8.300 0.000 0.000 0.473 561 R N 0.778 121.455 120.500 0.295 0.000 2.136 561 R HA -0.245 4.095 4.340 -0.001 0.000 0.242 561 R C 2.179 178.543 176.300 0.107 0.000 1.131 561 R CA 2.265 58.464 56.100 0.165 0.000 0.937 561 R CB -0.880 29.494 30.300 0.122 0.000 0.863 561 R HN 0.332 8.602 8.270 0.000 0.000 0.435 562 L N 0.475 121.752 121.223 0.090 0.000 2.079 562 L HA -0.194 4.146 4.340 -0.001 0.000 0.210 562 L C 2.314 179.203 176.870 0.033 0.000 1.081 562 L CA 1.115 55.987 54.840 0.052 0.000 0.752 562 L CB -0.326 41.759 42.059 0.043 0.000 0.896 562 L HN 0.333 8.563 8.230 0.000 0.000 0.433 563 L N -0.114 121.123 121.223 0.024 0.000 2.610 563 L HA 0.076 4.416 4.340 -0.001 0.000 0.232 563 L C 1.260 178.135 176.870 0.009 0.000 1.149 563 L CA 0.405 55.236 54.840 -0.015 0.000 0.872 563 L CB -0.652 41.353 42.059 -0.089 0.000 0.992 563 L HN 0.505 8.735 8.230 0.000 0.000 0.447 564 G N 1.076 109.905 108.800 0.048 0.000 2.246 564 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.273 564 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.273 564 G C -0.204 174.743 174.900 0.078 0.000 1.055 564 G CA 0.032 45.167 45.100 0.058 0.000 0.851 564 G HN 0.278 8.568 8.290 0.000 0.000 0.500 565 L N 0.154 121.458 121.223 0.136 0.000 2.381 565 L HA 0.585 4.924 4.340 -0.001 0.000 0.268 565 L C -1.970 175.082 176.870 0.304 0.000 0.997 565 L CA -2.549 52.408 54.840 0.195 0.000 0.818 565 L CB 2.610 44.778 42.059 0.181 0.000 1.310 565 L HN -0.054 8.176 8.230 0.000 0.000 0.416 566 P HA -0.011 4.409 4.420 0.000 0.000 0.276 566 P C -0.956 176.428 177.300 0.140 0.000 1.235 566 P CA -0.177 63.026 63.100 0.172 0.000 0.772 566 P CB 0.508 32.272 31.700 0.107 0.000 0.871 567 Y N 4.804 125.002 120.300 -0.169 0.000 2.810 567 Y HA -0.021 4.528 4.550 -0.001 0.000 0.332 567 Y C 0.386 175.993 175.900 -0.489 0.000 1.243 567 Y CA 0.512 58.201 58.100 -0.685 0.000 1.537 567 Y CB 0.469 38.631 38.460 -0.496 0.000 1.265 567 Y HN 0.305 8.585 8.280 0.000 0.000 0.572 568 R N 5.160 124.849 120.500 -1.352 0.000 2.437 568 R HA 0.223 4.563 4.340 -0.001 0.000 0.310 568 R C -0.485 175.205 176.300 -1.018 0.000 0.955 568 R CA -1.074 54.575 56.100 -0.751 0.000 0.851 568 R CB 1.261 31.425 30.300 -0.227 0.000 1.161 568 R HN 0.643 8.913 8.270 0.000 0.000 0.446 569 E N 2.959 122.828 120.200 -0.552 0.000 2.438 569 E HA -0.043 4.306 4.350 -0.001 0.000 0.261 569 E C -1.630 174.757 176.600 -0.354 0.000 1.103 569 E CA -1.519 54.677 56.400 -0.340 0.000 0.959 569 E CB 0.340 29.956 29.700 -0.139 0.000 0.958 569 E HN 0.337 8.697 8.360 0.000 0.000 0.447 570 P HA -0.190 4.230 4.420 0.000 0.000 0.215 570 P C 1.036 178.174 177.300 -0.270 0.000 1.157 570 P CA 2.291 65.234 63.100 -0.262 0.000 0.874 570 P CB 0.099 31.704 31.700 -0.158 0.000 0.790 571 A N -0.107 122.586 122.820 -0.212 0.000 2.032 571 A HA -0.192 4.127 4.320 -0.001 0.000 0.221 571 A C 1.648 179.083 177.584 -0.248 0.000 1.165 571 A CA 1.513 53.429 52.037 -0.202 0.000 0.645 571 A CB -0.927 17.979 19.000 -0.157 0.000 0.807 571 A HN 0.128 8.278 8.150 0.000 0.000 0.453 572 E N -0.430 119.607 120.200 -0.271 0.000 2.349 572 E HA 0.114 4.463 4.350 -0.001 0.000 0.201 572 E C 0.184 176.575 176.600 -0.348 0.000 1.087 572 E CA 0.047 56.271 56.400 -0.294 0.000 1.128 572 E CB 0.044 29.609 29.700 -0.224 0.000 1.188 572 E HN 0.606 8.966 8.360 0.000 0.000 0.445 573 R N 0.138 120.386 120.500 -0.420 0.000 2.662 573 R HA 0.135 4.475 4.340 -0.001 0.000 0.396 573 R C 0.381 176.477 176.300 -0.339 0.000 1.096 573 R CA -0.182 55.579 56.100 -0.565 0.000 1.081 573 R CB 0.536 30.205 30.300 -1.053 0.000 1.382 573 R HN -0.090 8.180 8.270 0.000 0.000 0.580 574 D N 0.919 121.120 120.400 -0.332 0.000 2.144 574 D HA -0.092 4.547 4.640 -0.001 0.000 0.199 574 D C 0.441 176.829 176.300 0.147 0.000 0.984 574 D CA 1.402 55.311 54.000 -0.151 0.000 0.834 574 D CB 0.238 40.885 40.800 -0.255 0.000 0.955 574 D HN 0.262 8.632 8.370 0.000 0.000 0.465 575 W N 0.000 121.379 121.300 0.132 0.000 2.388 575 W HA 0.000 4.659 4.660 -0.001 0.000 0.303 575 W CA 0.000 57.446 57.345 0.168 0.000 1.226 575 W CB 0.000 29.517 29.460 0.094 0.000 1.126 575 W HN 0.000 8.180 8.180 0.000 0.000 0.535