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 2c0m_1_B DATA FIRST_RESID 284 DATA SEQUENCE DKGYQFEEEN PLRDHPQPFE EGLRRLQEGD LPNAVLLFEA AVQQDPKHME DATA SEQUENCE AWQYLGTTQA ENEQELLAIS ALRRCLELKP DNQTALMALA VSFTNESLQR DATA SEQUENCE QACEILRDWL RYTPAYAHLV TPXXXXXXXX XXXXXXXXXX XXXXDSLFLE DATA SEQUENCE VKELFLAAVR LDPTSIDPDV QCGLGVLFNL SGEYDKAVDC FTAALSVRPN DATA SEQUENCE DYLLWNKLGA TLANGNQSEE AVAAYRRALE LQPGYIRSRY NLGISCINLG DATA SEQUENCE AHREAVEHFL EALNMQRKSR GPRGEGGAMS ENIWSTLRLA LSMLGQSDAY DATA SEQUENCE GAADARDLST LLTMFGLPQ 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 284 D HA 0.000 nan 4.640 nan 0.000 0.175 284 D C 0.000 176.304 176.300 0.007 0.000 2.045 284 D CA 0.000 54.012 54.000 0.020 0.000 0.868 284 D CB 0.000 40.807 40.800 0.012 0.000 0.688 285 K N -0.053 120.346 120.400 -0.002 0.000 2.533 285 K HA 0.548 4.869 4.320 0.001 0.000 0.202 285 K C -0.114 176.479 176.600 -0.013 0.000 1.096 285 K CA 0.264 56.548 56.287 -0.006 0.000 1.056 285 K CB 1.191 33.687 32.500 -0.007 0.000 0.890 285 K HN 0.662 nan 8.250 nan 0.000 0.552 286 G N 0.920 109.711 108.800 -0.015 0.000 2.690 286 G HA2 -0.286 3.675 3.960 0.001 0.000 0.686 286 G HA3 -0.286 3.675 3.960 0.001 0.000 0.686 286 G C -1.354 173.531 174.900 -0.025 0.000 1.277 286 G CA -0.938 44.158 45.100 -0.007 0.000 0.799 286 G HN 0.183 nan 8.290 nan 0.000 0.613 287 Y N 1.335 121.565 120.300 -0.117 0.000 2.496 287 Y HA 0.430 4.981 4.550 0.001 0.000 0.334 287 Y C 1.176 176.885 175.900 -0.317 0.000 1.080 287 Y CA 0.458 58.450 58.100 -0.180 0.000 1.355 287 Y CB 0.594 38.978 38.460 -0.127 0.000 1.193 287 Y HN 0.524 nan 8.280 nan 0.000 0.523 288 Q N 6.860 126.362 119.800 -0.496 0.000 2.421 288 Q HA 0.211 4.551 4.340 0.001 0.000 0.242 288 Q C -0.998 174.896 176.000 -0.177 0.000 1.024 288 Q CA -0.469 55.181 55.803 -0.256 0.000 0.891 288 Q CB 0.720 29.354 28.738 -0.173 0.000 1.222 288 Q HN 0.640 nan 8.270 nan 0.000 0.483 289 F N 1.349 121.455 119.950 0.260 0.000 2.553 289 F HA -0.050 4.477 4.527 0.001 0.000 0.356 289 F C 1.196 177.091 175.800 0.158 0.000 1.142 289 F CA -0.245 57.941 58.000 0.310 0.000 1.322 289 F CB 0.486 39.621 39.000 0.225 0.000 1.126 289 F HN 0.436 nan 8.300 nan 0.000 0.599 290 E N 2.868 123.292 120.200 0.373 0.000 2.220 290 E HA 0.033 4.383 4.350 0.001 0.000 0.272 290 E C -0.850 175.854 176.600 0.172 0.000 1.099 290 E CA -0.007 56.515 56.400 0.204 0.000 0.907 290 E CB 0.169 29.970 29.700 0.168 0.000 1.022 290 E HN 0.448 nan 8.360 nan 0.000 0.428 291 E N 3.796 124.074 120.200 0.132 0.000 2.354 291 E HA 0.073 4.423 4.350 0.001 0.000 0.269 291 E C -0.637 176.004 176.600 0.068 0.000 1.036 291 E CA 0.034 56.494 56.400 0.101 0.000 0.876 291 E CB 0.494 30.246 29.700 0.086 0.000 1.009 291 E HN 0.472 nan 8.360 nan 0.000 0.416 292 E N 1.676 121.907 120.200 0.053 0.000 3.439 292 E HA -0.261 4.089 4.350 0.001 0.000 0.149 292 E C -0.972 175.651 176.600 0.039 0.000 1.846 292 E CA 0.068 56.490 56.400 0.037 0.000 0.770 292 E CB -1.104 28.614 29.700 0.031 0.000 1.082 292 E HN 0.368 nan 8.360 nan 0.000 0.357 293 N N 3.173 121.892 118.700 0.031 0.000 2.511 293 N HA 0.218 4.959 4.740 0.001 0.000 0.249 293 N C -1.406 174.110 175.510 0.011 0.000 0.971 293 N CA -2.264 50.800 53.050 0.024 0.000 0.938 293 N CB 1.162 39.661 38.487 0.020 0.000 1.131 293 N HN -0.018 nan 8.380 nan 0.000 0.505 294 P HA -0.062 nan 4.420 nan 0.000 0.220 294 P C 0.677 177.985 177.300 0.013 0.000 1.148 294 P CA 0.965 64.071 63.100 0.010 0.000 0.803 294 P CB 0.522 32.227 31.700 0.008 0.000 0.782 295 L N -1.028 120.197 121.223 0.005 0.000 2.791 295 L HA 0.302 4.642 4.340 0.001 0.000 0.239 295 L C 2.376 179.255 176.870 0.015 0.000 1.203 295 L CA -0.294 54.555 54.840 0.016 0.000 1.002 295 L CB -0.333 41.699 42.059 -0.044 0.000 1.295 295 L HN -0.206 nan 8.230 nan 0.000 0.504 296 R N 1.159 121.659 120.500 -0.000 0.000 2.103 296 R HA -0.175 4.165 4.340 0.001 0.000 0.242 296 R C 1.041 177.337 176.300 -0.008 0.000 1.142 296 R CA 1.844 57.931 56.100 -0.022 0.000 0.960 296 R CB -0.160 30.122 30.300 -0.029 0.000 0.858 296 R HN 0.290 nan 8.270 nan 0.000 0.439 297 D N -0.359 120.047 120.400 0.010 0.000 2.358 297 D HA -0.031 4.610 4.640 0.001 0.000 0.224 297 D C -0.391 175.915 176.300 0.008 0.000 1.123 297 D CA -0.028 53.972 54.000 0.000 0.000 0.833 297 D CB -0.275 40.517 40.800 -0.015 0.000 0.946 297 D HN 0.358 nan 8.370 nan 0.000 0.505 298 H N 2.618 121.663 119.070 -0.043 0.000 3.091 298 H HA -0.008 4.548 4.556 0.000 0.000 0.289 298 H C -1.158 174.151 175.328 -0.032 0.000 0.995 298 H CA -0.927 55.096 56.048 -0.042 0.000 1.461 298 H CB 1.508 31.234 29.762 -0.059 0.000 1.510 298 H HN -0.073 nan 8.280 nan 0.000 0.546 299 P HA -0.200 nan 4.420 nan 0.000 0.218 299 P C 0.413 177.713 177.300 -0.001 0.000 1.154 299 P CA 1.293 64.327 63.100 -0.110 0.000 0.872 299 P CB 0.443 32.044 31.700 -0.166 0.000 0.790 300 Q N -1.222 118.622 119.800 0.073 0.000 2.397 300 Q HA 0.233 4.574 4.340 0.001 0.000 0.260 300 Q C -2.346 173.751 176.000 0.162 0.000 1.002 300 Q CA -2.074 53.800 55.803 0.118 0.000 0.716 300 Q CB 1.965 30.757 28.738 0.090 0.000 1.258 300 Q HN 0.050 nan 8.270 nan 0.000 0.477 301 P HA 0.003 nan 4.420 nan 0.000 0.224 301 P C 1.042 178.331 177.300 -0.019 0.000 1.159 301 P CA 0.196 63.310 63.100 0.023 0.000 0.824 301 P CB 0.050 31.759 31.700 0.014 0.000 0.833 302 F N 1.924 121.862 119.950 -0.019 0.000 2.113 302 F HA -0.102 4.425 4.527 0.001 0.000 0.297 302 F C 1.808 177.601 175.800 -0.012 0.000 1.103 302 F CA 1.668 59.683 58.000 0.025 0.000 1.248 302 F CB -0.675 38.391 39.000 0.110 0.000 0.999 302 F HN -0.181 nan 8.300 nan 0.000 0.475 303 E N -0.068 120.007 120.200 -0.208 0.000 2.152 303 E HA -0.151 4.200 4.350 0.001 0.000 0.192 303 E C 2.169 178.608 176.600 -0.269 0.000 0.983 303 E CA 1.046 57.266 56.400 -0.300 0.000 0.818 303 E CB -0.170 29.475 29.700 -0.091 0.000 0.758 303 E HN 0.320 nan 8.360 nan 0.000 0.467 304 E N -0.087 119.982 120.200 -0.219 0.000 2.072 304 E HA -0.096 4.254 4.350 0.001 0.000 0.191 304 E C 2.199 178.570 176.600 -0.381 0.000 0.985 304 E CA 1.085 57.329 56.400 -0.259 0.000 0.801 304 E CB -0.469 29.048 29.700 -0.304 0.000 0.750 304 E HN 0.349 nan 8.360 nan 0.000 0.452 305 G N 1.363 109.831 108.800 -0.553 0.000 2.469 305 G HA2 -0.249 3.712 3.960 0.001 0.000 0.219 305 G HA3 -0.249 3.712 3.960 0.001 0.000 0.219 305 G C 1.778 176.364 174.900 -0.523 0.000 1.150 305 G CA 0.768 45.296 45.100 -0.954 0.000 0.763 305 G HN 0.191 nan 8.290 nan 0.000 0.561 306 L N -0.355 120.634 121.223 -0.390 0.000 2.017 306 L HA -0.075 4.266 4.340 0.001 0.000 0.208 306 L C 3.223 179.988 176.870 -0.175 0.000 1.073 306 L CA 1.191 55.868 54.840 -0.272 0.000 0.745 306 L CB -0.381 41.406 42.059 -0.453 0.000 0.894 306 L HN 0.165 nan 8.230 nan 0.000 0.432 307 R N -0.485 119.898 120.500 -0.194 0.000 2.096 307 R HA -0.132 4.208 4.340 0.001 0.000 0.229 307 R C 2.424 178.657 176.300 -0.112 0.000 1.134 307 R CA 1.139 57.160 56.100 -0.131 0.000 0.917 307 R CB -0.456 29.768 30.300 -0.127 0.000 0.832 307 R HN 0.227 nan 8.270 nan 0.000 0.430 308 R N 0.912 121.320 120.500 -0.153 0.000 2.159 308 R HA -0.231 4.109 4.340 0.001 0.000 0.252 308 R C 2.330 178.588 176.300 -0.069 0.000 1.144 308 R CA 1.604 57.626 56.100 -0.129 0.000 0.961 308 R CB -1.165 29.016 30.300 -0.198 0.000 0.877 308 R HN 0.244 nan 8.270 nan 0.000 0.444 309 L N 1.388 122.580 121.223 -0.051 0.000 1.994 309 L HA -0.188 4.153 4.340 0.001 0.000 0.208 309 L C 2.281 179.176 176.870 0.041 0.000 1.071 309 L CA 1.818 56.687 54.840 0.048 0.000 0.745 309 L CB -0.765 41.390 42.059 0.159 0.000 0.892 309 L HN 0.135 nan 8.230 nan 0.000 0.431 310 Q N -0.143 119.666 119.800 0.015 0.000 2.133 310 Q HA -0.256 4.085 4.340 0.001 0.000 0.208 310 Q C 1.821 177.824 176.000 0.006 0.000 0.991 310 Q CA 2.373 58.188 55.803 0.020 0.000 0.867 310 Q CB -0.232 28.506 28.738 -0.000 0.000 0.911 310 Q HN 0.663 nan 8.270 nan 0.000 0.417 311 E N -0.991 119.202 120.200 -0.012 0.000 2.512 311 E HA 0.066 4.417 4.350 0.001 0.000 0.195 311 E C 0.543 177.134 176.600 -0.014 0.000 1.083 311 E CA 0.264 56.654 56.400 -0.017 0.000 0.873 311 E CB 0.199 29.883 29.700 -0.027 0.000 0.897 311 E HN 0.498 nan 8.360 nan 0.000 0.514 312 G N 2.565 111.364 108.800 -0.002 0.000 2.147 312 G HA2 -0.259 3.702 3.960 0.001 0.000 0.244 312 G HA3 -0.259 3.702 3.960 0.001 0.000 0.244 312 G C -0.290 174.618 174.900 0.012 0.000 1.005 312 G CA 0.229 45.331 45.100 0.004 0.000 0.713 312 G HN 0.301 nan 8.290 nan 0.000 0.515 313 D N 0.302 120.706 120.400 0.005 0.000 2.499 313 D HA 0.492 5.132 4.640 0.001 0.000 0.225 313 D C 1.743 178.053 176.300 0.016 0.000 1.124 313 D CA -0.576 53.423 54.000 -0.001 0.000 0.938 313 D CB 0.078 40.859 40.800 -0.031 0.000 1.014 313 D HN 0.204 nan 8.370 nan 0.000 0.517 314 L N 3.623 124.875 121.223 0.049 0.000 2.068 314 L HA 0.065 4.406 4.340 0.001 0.000 0.204 314 L C -0.578 176.334 176.870 0.070 0.000 1.076 314 L CA 0.519 55.410 54.840 0.086 0.000 0.753 314 L CB -1.298 40.828 42.059 0.113 0.000 0.910 314 L HN 0.289 nan 8.230 nan 0.000 0.439 315 P HA -0.163 nan 4.420 nan 0.000 0.216 315 P C 1.071 178.382 177.300 0.019 0.000 1.157 315 P CA 1.457 64.582 63.100 0.043 0.000 0.880 315 P CB -0.068 31.648 31.700 0.028 0.000 0.791 316 N N -0.896 117.792 118.700 -0.020 0.000 2.171 316 N HA -0.064 4.676 4.740 0.001 0.000 0.184 316 N C 1.746 177.171 175.510 -0.141 0.000 1.021 316 N CA 1.379 54.385 53.050 -0.074 0.000 0.854 316 N CB -0.801 37.629 38.487 -0.095 0.000 0.994 316 N HN 0.044 nan 8.380 nan 0.000 0.426 317 A N 1.125 123.860 122.820 -0.143 0.000 1.908 317 A HA -0.099 4.222 4.320 0.001 0.000 0.218 317 A C 2.550 179.990 177.584 -0.240 0.000 1.181 317 A CA 1.261 53.116 52.037 -0.304 0.000 0.627 317 A CB -0.859 18.081 19.000 -0.100 0.000 0.818 317 A HN 0.086 nan 8.150 nan 0.000 0.445 318 V N 0.296 120.261 119.914 0.085 0.000 2.252 318 V HA -0.305 3.816 4.120 0.001 0.000 0.249 318 V C 2.561 178.718 176.094 0.105 0.000 1.056 318 V CA 2.176 64.600 62.300 0.206 0.000 1.022 318 V CB -0.754 31.185 31.823 0.193 0.000 0.641 318 V HN 0.608 nan 8.190 nan 0.000 0.445 319 L N -1.206 120.032 121.223 0.024 0.000 2.187 319 L HA -0.199 4.142 4.340 0.001 0.000 0.213 319 L C 2.362 179.189 176.870 -0.071 0.000 1.100 319 L CA 0.984 55.826 54.840 0.003 0.000 0.765 319 L CB -0.495 41.553 42.059 -0.019 0.000 0.904 319 L HN 0.325 nan 8.230 nan 0.000 0.437 320 L N -1.180 119.923 121.223 -0.199 0.000 2.068 320 L HA -0.062 4.278 4.340 0.001 0.000 0.204 320 L C 2.238 178.968 176.870 -0.233 0.000 1.076 320 L CA 1.714 56.374 54.840 -0.300 0.000 0.753 320 L CB -0.634 41.104 42.059 -0.535 0.000 0.910 320 L HN 0.018 nan 8.230 nan 0.000 0.439 321 F N -0.130 119.784 119.950 -0.060 0.000 2.102 321 F HA -0.211 4.317 4.527 0.001 0.000 0.298 321 F C 2.477 178.160 175.800 -0.194 0.000 1.105 321 F CA 1.094 59.036 58.000 -0.097 0.000 1.239 321 F CB -0.415 38.556 39.000 -0.049 0.000 0.991 321 F HN 0.121 nan 8.300 nan 0.000 0.474 322 E N 0.528 120.761 120.200 0.056 0.000 2.086 322 E HA -0.317 4.034 4.350 0.001 0.000 0.200 322 E C 2.391 178.889 176.600 -0.170 0.000 1.012 322 E CA 1.227 57.624 56.400 -0.005 0.000 0.812 322 E CB -0.396 29.412 29.700 0.181 0.000 0.743 322 E HN 0.428 nan 8.360 nan 0.000 0.453 323 A N 1.391 124.138 122.820 -0.121 0.000 1.883 323 A HA -0.183 4.137 4.320 0.001 0.000 0.217 323 A C 2.415 179.918 177.584 -0.135 0.000 1.186 323 A CA 2.024 53.978 52.037 -0.139 0.000 0.624 323 A CB -0.745 18.208 19.000 -0.078 0.000 0.822 323 A HN 0.330 nan 8.150 nan 0.000 0.444 324 A N -0.189 122.576 122.820 -0.091 0.000 1.940 324 A HA -0.038 4.283 4.320 0.001 0.000 0.219 324 A C 2.191 179.694 177.584 -0.134 0.000 1.176 324 A CA 2.204 54.210 52.037 -0.051 0.000 0.631 324 A CB -1.158 17.842 19.000 -0.001 0.000 0.814 324 A HN 1.232 nan 8.150 nan 0.000 0.446 325 V N -3.269 116.453 119.914 -0.319 0.000 3.461 325 V HA -0.023 4.097 4.120 0.001 0.000 0.267 325 V C 1.655 177.602 176.094 -0.246 0.000 1.186 325 V CA 1.599 63.649 62.300 -0.417 0.000 1.154 325 V CB -0.587 30.551 31.823 -1.143 0.000 0.802 325 V HN 0.574 nan 8.190 nan 0.000 0.474 326 Q N 0.666 120.273 119.800 -0.321 0.000 2.339 326 Q HA -0.038 4.303 4.340 0.001 0.000 0.205 326 Q C 2.354 178.262 176.000 -0.152 0.000 0.925 326 Q CA 1.208 56.805 55.803 -0.344 0.000 0.898 326 Q CB 0.150 28.558 28.738 -0.550 0.000 1.013 326 Q HN 0.952 nan 8.270 nan 0.000 0.504 327 Q N 0.301 120.041 119.800 -0.099 0.000 2.062 327 Q HA -0.069 4.272 4.340 0.001 0.000 0.196 327 Q C 0.099 176.101 176.000 0.003 0.000 0.967 327 Q CA 1.170 56.952 55.803 -0.035 0.000 0.832 327 Q CB 0.110 28.840 28.738 -0.014 0.000 0.899 327 Q HN -0.039 nan 8.270 nan 0.000 0.442 328 D N 0.711 121.127 120.400 0.026 0.000 2.420 328 D HA 0.271 4.911 4.640 0.001 0.000 0.255 328 D C -2.262 174.115 176.300 0.128 0.000 1.185 328 D CA -2.573 51.468 54.000 0.069 0.000 0.904 328 D CB 1.826 42.661 40.800 0.059 0.000 1.102 328 D HN -0.138 nan 8.370 nan 0.000 0.534 329 P HA -0.043 nan 4.420 nan 0.000 0.223 329 P C 0.576 178.135 177.300 0.432 0.000 1.151 329 P CA 0.795 64.111 63.100 0.361 0.000 0.787 329 P CB 0.258 32.140 31.700 0.303 0.000 0.788 330 K N -1.528 119.020 120.400 0.247 0.000 2.458 330 K HA -0.027 4.293 4.320 0.001 0.000 0.194 330 K C 0.431 177.164 176.600 0.221 0.000 1.024 330 K CA -0.066 56.340 56.287 0.199 0.000 1.108 330 K CB -0.583 31.974 32.500 0.095 0.000 0.846 330 K HN 0.360 nan 8.250 nan 0.000 0.518 331 H N 2.090 121.238 119.070 0.129 0.000 3.216 331 H HA 0.029 4.585 4.556 0.001 0.000 0.263 331 H C 1.567 176.957 175.328 0.104 0.000 1.601 331 H CA -0.583 55.475 56.048 0.016 0.000 1.509 331 H CB 0.364 30.064 29.762 -0.103 0.000 1.759 331 H HN 0.066 nan 8.280 nan 0.000 0.533 332 M N 3.057 122.846 119.600 0.314 0.000 2.108 332 M HA -0.199 4.281 4.480 0.001 0.000 0.261 332 M C 1.685 178.096 176.300 0.185 0.000 1.066 332 M CA 1.968 57.423 55.300 0.259 0.000 1.107 332 M CB -0.342 32.328 32.600 0.117 0.000 1.356 332 M HN 0.714 nan 8.290 nan 0.000 0.406 333 E N -0.343 119.921 120.200 0.107 0.000 2.150 333 E HA -0.089 4.262 4.350 0.001 0.000 0.193 333 E C 1.921 178.431 176.600 -0.151 0.000 0.985 333 E CA 1.059 57.456 56.400 -0.004 0.000 0.814 333 E CB -0.033 29.652 29.700 -0.025 0.000 0.752 333 E HN 0.608 nan 8.360 nan 0.000 0.466 334 A N 0.561 123.015 122.820 -0.611 0.000 1.865 334 A HA -0.211 4.109 4.320 0.001 0.000 0.217 334 A C 1.822 179.243 177.584 -0.271 0.000 1.191 334 A CA 1.575 53.275 52.037 -0.561 0.000 0.623 334 A CB -1.271 17.184 19.000 -0.907 0.000 0.826 334 A HN 0.517 nan 8.150 nan 0.000 0.444 335 W N -0.300 120.903 121.300 -0.163 0.000 2.318 335 W HA -0.244 4.417 4.660 0.001 0.000 0.313 335 W C 2.709 179.142 176.519 -0.143 0.000 1.221 335 W CA 1.746 59.016 57.345 -0.125 0.000 1.266 335 W CB -0.369 29.041 29.460 -0.083 0.000 1.150 335 W HN 0.540 nan 8.180 nan 0.000 0.496 336 Q N -0.657 119.206 119.800 0.105 0.000 2.077 336 Q HA -0.294 4.047 4.340 0.001 0.000 0.206 336 Q C 1.979 177.856 176.000 -0.205 0.000 0.989 336 Q CA 2.203 57.968 55.803 -0.064 0.000 0.853 336 Q CB -0.751 27.907 28.738 -0.133 0.000 0.907 336 Q HN 0.415 nan 8.270 nan 0.000 0.418 337 Y N -0.267 119.874 120.300 -0.265 0.000 2.263 337 Y HA -0.192 4.358 4.550 0.001 0.000 0.292 337 Y C 2.111 177.650 175.900 -0.602 0.000 1.130 337 Y CA 0.809 58.594 58.100 -0.525 0.000 1.179 337 Y CB -0.123 37.780 38.460 -0.928 0.000 0.998 337 Y HN 0.240 nan 8.280 nan 0.000 0.532 338 L N 0.203 121.181 121.223 -0.408 0.000 2.043 338 L HA -0.151 4.189 4.340 0.001 0.000 0.212 338 L C 2.229 179.124 176.870 0.043 0.000 1.075 338 L CA 2.168 56.945 54.840 -0.105 0.000 0.752 338 L CB -1.330 40.672 42.059 -0.095 0.000 0.891 338 L HN 0.221 nan 8.230 nan 0.000 0.432 339 G N -1.359 107.460 108.800 0.031 0.000 2.604 339 G HA2 -0.352 3.609 3.960 0.001 0.000 0.216 339 G HA3 -0.352 3.609 3.960 0.001 0.000 0.216 339 G C 1.449 176.364 174.900 0.025 0.000 1.265 339 G CA 1.965 47.097 45.100 0.054 0.000 0.804 339 G HN 0.514 nan 8.290 nan 0.000 0.579 340 T N -1.600 112.929 114.554 -0.042 0.000 2.822 340 T HA -0.147 4.203 4.350 0.001 0.000 0.270 340 T C 2.204 176.940 174.700 0.060 0.000 1.064 340 T CA 2.309 64.394 62.100 -0.025 0.000 1.131 340 T CB -0.711 68.094 68.868 -0.105 0.000 0.858 340 T HN 0.223 nan 8.240 nan 0.000 0.483 341 T N 1.370 115.978 114.554 0.090 0.000 2.809 341 T HA 0.005 4.356 4.350 0.001 0.000 0.260 341 T C 2.211 177.015 174.700 0.174 0.000 1.039 341 T CA 0.796 63.001 62.100 0.176 0.000 1.141 341 T CB -0.199 68.825 68.868 0.259 0.000 0.869 341 T HN 0.355 nan 8.240 nan 0.000 0.437 342 Q N 0.833 120.732 119.800 0.164 0.000 2.124 342 Q HA -0.003 4.337 4.340 0.001 0.000 0.202 342 Q C 2.721 178.792 176.000 0.118 0.000 0.977 342 Q CA 1.360 57.255 55.803 0.154 0.000 0.850 342 Q CB -0.498 28.349 28.738 0.182 0.000 0.901 342 Q HN 0.538 nan 8.270 nan 0.000 0.429 343 A N 1.202 124.082 122.820 0.100 0.000 1.873 343 A HA -0.260 4.061 4.320 0.001 0.000 0.218 343 A C 2.027 179.692 177.584 0.135 0.000 1.193 343 A CA 1.907 53.996 52.037 0.087 0.000 0.629 343 A CB -0.545 18.488 19.000 0.056 0.000 0.826 343 A HN 0.280 nan 8.150 nan 0.000 0.447 344 E N -0.272 120.034 120.200 0.177 0.000 2.058 344 E HA -0.200 4.151 4.350 0.001 0.000 0.194 344 E C 1.820 178.558 176.600 0.231 0.000 0.997 344 E CA 1.464 58.031 56.400 0.278 0.000 0.801 344 E CB -0.315 29.558 29.700 0.288 0.000 0.746 344 E HN 0.661 nan 8.360 nan 0.000 0.450 345 N N 0.458 119.259 118.700 0.169 0.000 2.609 345 N HA -0.134 4.607 4.740 0.001 0.000 0.190 345 N C -0.661 174.896 175.510 0.078 0.000 1.157 345 N CA 0.827 53.950 53.050 0.122 0.000 0.918 345 N CB 0.073 38.631 38.487 0.119 0.000 0.978 345 N HN 0.158 nan 8.380 nan 0.000 0.448 346 E N -1.836 118.410 120.200 0.077 0.000 3.181 346 E HA -0.212 4.139 4.350 0.001 0.000 0.293 346 E C -0.846 175.772 176.600 0.030 0.000 0.936 346 E CA 0.250 56.674 56.400 0.039 0.000 0.975 346 E CB -1.299 28.402 29.700 0.002 0.000 1.496 346 E HN 0.383 nan 8.360 nan 0.000 0.429 347 Q N 0.474 120.300 119.800 0.044 0.000 2.963 347 Q HA 0.126 4.467 4.340 0.001 0.000 0.262 347 Q C 0.795 176.811 176.000 0.026 0.000 1.318 347 Q CA 0.192 56.014 55.803 0.030 0.000 1.089 347 Q CB 1.161 29.925 28.738 0.043 0.000 1.424 347 Q HN 0.220 nan 8.270 nan 0.000 0.560 348 E N 0.964 121.175 120.200 0.017 0.000 2.150 348 E HA -0.076 4.275 4.350 0.001 0.000 0.193 348 E C 1.268 177.866 176.600 -0.003 0.000 0.985 348 E CA 0.854 57.261 56.400 0.012 0.000 0.814 348 E CB 0.163 29.874 29.700 0.018 0.000 0.752 348 E HN 0.485 nan 8.360 nan 0.000 0.466 349 L N -0.338 120.882 121.223 -0.005 0.000 1.976 349 L HA -0.176 4.164 4.340 0.001 0.000 0.209 349 L C 2.433 179.285 176.870 -0.029 0.000 1.071 349 L CA 1.113 55.944 54.840 -0.014 0.000 0.746 349 L CB -0.528 41.517 42.059 -0.024 0.000 0.890 349 L HN 0.190 nan 8.230 nan 0.000 0.432 350 L N -0.409 120.780 121.223 -0.056 0.000 2.079 350 L HA -0.235 4.105 4.340 0.001 0.000 0.210 350 L C 2.857 179.789 176.870 0.104 0.000 1.081 350 L CA 1.126 55.916 54.840 -0.084 0.000 0.752 350 L CB -0.760 41.184 42.059 -0.191 0.000 0.896 350 L HN 0.278 nan 8.230 nan 0.000 0.433 351 A N 0.677 123.547 122.820 0.083 0.000 1.859 351 A HA -0.250 4.070 4.320 0.001 0.000 0.217 351 A C 2.202 179.807 177.584 0.035 0.000 1.198 351 A CA 2.070 54.158 52.037 0.086 0.000 0.629 351 A CB -0.860 18.160 19.000 0.033 0.000 0.830 351 A HN 0.340 nan 8.150 nan 0.000 0.446 352 I N -0.657 119.881 120.570 -0.053 0.000 2.151 352 I HA -0.285 3.885 4.170 0.001 0.000 0.243 352 I C 2.832 178.921 176.117 -0.047 0.000 1.080 352 I CA 1.653 62.864 61.300 -0.147 0.000 1.339 352 I CB -0.419 37.454 38.000 -0.211 0.000 1.039 352 I HN 0.409 nan 8.210 nan 0.000 0.409 353 S N 0.240 115.953 115.700 0.021 0.000 2.365 353 S HA -0.281 4.189 4.470 0.001 0.000 0.225 353 S C 2.163 176.830 174.600 0.111 0.000 1.039 353 S CA 1.834 60.072 58.200 0.062 0.000 1.033 353 S CB -0.295 62.938 63.200 0.055 0.000 0.887 353 S HN 0.519 nan 8.310 nan 0.000 0.447 354 A N 0.802 123.787 122.820 0.275 0.000 1.897 354 A HA 0.130 4.450 4.320 0.001 0.000 0.215 354 A C 2.180 179.819 177.584 0.092 0.000 1.181 354 A CA 1.197 53.413 52.037 0.298 0.000 0.620 354 A CB -0.733 18.528 19.000 0.436 0.000 0.821 354 A HN 0.549 nan 8.150 nan 0.000 0.443 355 L N -1.043 120.207 121.223 0.045 0.000 2.187 355 L HA -0.182 4.158 4.340 0.001 0.000 0.213 355 L C 2.777 179.603 176.870 -0.072 0.000 1.100 355 L CA 1.286 56.112 54.840 -0.023 0.000 0.765 355 L CB -0.314 41.704 42.059 -0.068 0.000 0.904 355 L HN 0.328 nan 8.230 nan 0.000 0.437 356 R N -0.966 119.481 120.500 -0.089 0.000 2.090 356 R HA -0.049 4.292 4.340 0.001 0.000 0.228 356 R C 2.386 178.562 176.300 -0.208 0.000 1.110 356 R CA 0.723 56.761 56.100 -0.102 0.000 0.973 356 R CB -0.090 30.173 30.300 -0.062 0.000 0.869 356 R HN 0.145 nan 8.270 nan 0.000 0.440 357 R N 0.017 120.289 120.500 -0.380 0.000 2.115 357 R HA -0.097 4.244 4.340 0.001 0.000 0.230 357 R C 2.325 178.242 176.300 -0.638 0.000 1.111 357 R CA 0.881 56.545 56.100 -0.727 0.000 0.976 357 R CB -1.000 28.324 30.300 -1.626 0.000 0.870 357 R HN 0.319 nan 8.270 nan 0.000 0.445 358 C N 0.575 119.657 119.300 -0.364 0.000 2.429 358 C HA -0.015 4.445 4.460 0.001 0.000 0.277 358 C C 2.591 177.513 174.990 -0.113 0.000 1.262 358 C CA 0.578 59.520 59.018 -0.127 0.000 1.733 358 C CB -0.970 26.770 27.740 0.000 0.000 2.010 358 C HN 0.396 nan 8.230 nan 0.000 0.483 359 L N 0.258 121.414 121.223 -0.112 0.000 2.240 359 L HA -0.001 4.339 4.340 0.001 0.000 0.211 359 L C 2.593 179.409 176.870 -0.089 0.000 1.106 359 L CA 1.123 55.914 54.840 -0.082 0.000 0.793 359 L CB -0.699 41.336 42.059 -0.041 0.000 0.927 359 L HN 0.414 nan 8.230 nan 0.000 0.446 360 E N 0.403 120.535 120.200 -0.113 0.000 2.209 360 E HA -0.210 4.141 4.350 0.001 0.000 0.196 360 E C 2.096 178.643 176.600 -0.089 0.000 0.993 360 E CA 1.082 57.422 56.400 -0.100 0.000 0.819 360 E CB -0.014 29.605 29.700 -0.136 0.000 0.745 360 E HN 0.505 nan 8.360 nan 0.000 0.477 361 L N -0.396 120.768 121.223 -0.099 0.000 2.416 361 L HA 0.105 4.446 4.340 0.001 0.000 0.216 361 L C 1.101 177.938 176.870 -0.055 0.000 1.098 361 L CA 0.429 55.234 54.840 -0.059 0.000 0.840 361 L CB 0.380 42.421 42.059 -0.030 0.000 0.981 361 L HN -0.146 nan 8.230 nan 0.000 0.462 362 K N 0.184 120.537 120.400 -0.078 0.000 2.832 362 K HA 0.203 4.523 4.320 0.001 0.000 0.243 362 K C -2.213 174.283 176.600 -0.174 0.000 1.117 362 K CA -1.171 55.050 56.287 -0.109 0.000 1.068 362 K CB 1.482 33.931 32.500 -0.084 0.000 1.286 362 K HN -0.293 nan 8.250 nan 0.000 0.553 363 P HA -0.163 nan 4.420 nan 0.000 0.219 363 P C 0.229 177.126 177.300 -0.671 0.000 1.146 363 P CA 1.147 64.066 63.100 -0.302 0.000 0.808 363 P CB 0.095 31.672 31.700 -0.204 0.000 0.779 364 D N -1.720 118.216 120.400 -0.772 0.000 2.434 364 D HA -0.025 4.615 4.640 0.001 0.000 0.232 364 D C 0.069 176.155 176.300 -0.356 0.000 1.166 364 D CA -0.416 53.057 54.000 -0.878 0.000 0.830 364 D CB -1.208 39.179 40.800 -0.688 0.000 0.960 364 D HN -0.051 nan 8.370 nan 0.000 0.497 365 N N 1.621 120.180 118.700 -0.235 0.000 2.466 365 N HA -0.012 4.729 4.740 0.001 0.000 0.263 365 N C 0.805 176.301 175.510 -0.024 0.000 1.178 365 N CA 0.106 53.094 53.050 -0.103 0.000 0.983 365 N CB 0.762 39.206 38.487 -0.071 0.000 1.331 365 N HN 0.227 nan 8.380 nan 0.000 0.500 366 Q N 0.932 120.724 119.800 -0.014 0.000 2.119 366 Q HA -0.111 4.229 4.340 0.001 0.000 0.201 366 Q C 1.447 177.622 176.000 0.291 0.000 0.972 366 Q CA 1.898 57.754 55.803 0.089 0.000 0.847 366 Q CB 0.023 28.711 28.738 -0.083 0.000 0.903 366 Q HN 0.679 nan 8.270 nan 0.000 0.433 367 T N 0.100 114.751 114.554 0.161 0.000 2.708 367 T HA -0.108 4.242 4.350 0.001 0.000 0.266 367 T C 2.079 176.826 174.700 0.079 0.000 1.037 367 T CA 1.121 63.297 62.100 0.127 0.000 1.146 367 T CB -0.421 68.469 68.868 0.037 0.000 0.865 367 T HN 0.303 nan 8.240 nan 0.000 0.435 368 A N 1.104 123.945 122.820 0.036 0.000 1.972 368 A HA 0.136 4.456 4.320 0.001 0.000 0.219 368 A C 2.251 179.865 177.584 0.050 0.000 1.169 368 A CA 0.972 53.011 52.037 0.004 0.000 0.635 368 A CB -0.836 18.152 19.000 -0.020 0.000 0.810 368 A HN 0.387 nan 8.150 nan 0.000 0.446 369 L N -1.719 119.586 121.223 0.137 0.000 1.961 369 L HA -0.154 4.186 4.340 0.001 0.000 0.210 369 L C 2.610 179.586 176.870 0.177 0.000 1.072 369 L CA 2.292 57.258 54.840 0.211 0.000 0.749 369 L CB -0.623 41.660 42.059 0.374 0.000 0.889 369 L HN 0.453 nan 8.230 nan 0.000 0.432 370 M N -0.579 119.143 119.600 0.203 0.000 2.106 370 M HA -0.218 4.262 4.480 0.001 0.000 0.259 370 M C 2.159 178.456 176.300 -0.004 0.000 1.068 370 M CA 2.069 57.373 55.300 0.006 0.000 1.100 370 M CB -0.582 31.959 32.600 -0.099 0.000 1.351 370 M HN 0.249 nan 8.290 nan 0.000 0.404 371 A N -0.433 122.390 122.820 0.004 0.000 1.877 371 A HA -0.130 4.190 4.320 0.001 0.000 0.216 371 A C 2.114 179.664 177.584 -0.057 0.000 1.186 371 A CA 1.765 53.784 52.037 -0.030 0.000 0.620 371 A CB -1.203 17.769 19.000 -0.046 0.000 0.822 371 A HN 0.555 nan 8.150 nan 0.000 0.443 372 L N -0.085 121.095 121.223 -0.072 0.000 2.043 372 L HA -0.151 4.189 4.340 0.001 0.000 0.212 372 L C 2.669 179.442 176.870 -0.161 0.000 1.075 372 L CA 2.297 57.024 54.840 -0.189 0.000 0.752 372 L CB -0.788 41.188 42.059 -0.139 0.000 0.891 372 L HN 0.367 nan 8.230 nan 0.000 0.432 373 A N -1.507 121.332 122.820 0.032 0.000 1.902 373 A HA -0.139 4.182 4.320 0.001 0.000 0.217 373 A C 2.310 179.946 177.584 0.086 0.000 1.181 373 A CA 1.848 53.966 52.037 0.134 0.000 0.623 373 A CB -1.056 17.997 19.000 0.088 0.000 0.818 373 A HN 0.293 nan 8.150 nan 0.000 0.443 374 V N -0.133 119.795 119.914 0.022 0.000 2.343 374 V HA -0.214 3.907 4.120 0.001 0.000 0.247 374 V C 2.821 178.937 176.094 0.037 0.000 1.051 374 V CA 2.333 64.652 62.300 0.033 0.000 1.036 374 V CB -0.598 31.237 31.823 0.019 0.000 0.654 374 V HN 0.581 nan 8.190 nan 0.000 0.451 375 S N -0.562 115.123 115.700 -0.025 0.000 2.356 375 S HA -0.151 4.319 4.470 0.001 0.000 0.223 375 S C 1.781 176.395 174.600 0.024 0.000 1.032 375 S CA 1.638 59.809 58.200 -0.049 0.000 1.005 375 S CB -0.475 62.624 63.200 -0.168 0.000 0.867 375 S HN 0.555 nan 8.310 nan 0.000 0.449 376 F N 1.794 121.760 119.950 0.026 0.000 2.043 376 F HA -0.213 4.315 4.527 0.001 0.000 0.297 376 F C 2.978 178.788 175.800 0.017 0.000 1.121 376 F CA 1.277 59.289 58.000 0.020 0.000 1.199 376 F CB -0.850 38.161 39.000 0.018 0.000 0.968 376 F HN 0.161 nan 8.300 nan 0.000 0.478 377 T N -0.163 114.525 114.554 0.223 0.000 2.720 377 T HA -0.201 4.150 4.350 0.001 0.000 0.268 377 T C 1.583 176.346 174.700 0.104 0.000 1.037 377 T CA 1.462 63.638 62.100 0.127 0.000 1.144 377 T CB -0.399 68.528 68.868 0.099 0.000 0.864 377 T HN 0.174 nan 8.240 nan 0.000 0.444 378 N N 1.099 119.858 118.700 0.099 0.000 2.289 378 N HA -0.071 4.670 4.740 0.001 0.000 0.184 378 N C 1.570 177.124 175.510 0.073 0.000 1.016 378 N CA 0.778 53.874 53.050 0.076 0.000 0.872 378 N CB -0.140 38.386 38.487 0.064 0.000 0.973 378 N HN 0.423 nan 8.380 nan 0.000 0.433 379 E N 0.194 120.452 120.200 0.096 0.000 2.489 379 E HA 0.113 4.463 4.350 0.001 0.000 0.193 379 E C 0.035 176.681 176.600 0.078 0.000 1.057 379 E CA -0.088 56.367 56.400 0.091 0.000 0.866 379 E CB 0.108 29.884 29.700 0.128 0.000 0.916 379 E HN 0.029 nan 8.360 nan 0.000 0.500 380 S N -0.113 115.630 115.700 0.071 0.000 3.380 380 S HA -0.188 4.282 4.470 0.001 0.000 0.300 380 S C 0.448 175.062 174.600 0.023 0.000 1.255 380 S CA 0.329 58.553 58.200 0.040 0.000 0.963 380 S CB -1.582 61.632 63.200 0.024 0.000 1.106 380 S HN 0.310 nan 8.310 nan 0.000 0.629 381 L N 1.753 123.005 121.223 0.048 0.000 2.423 381 L HA 0.177 4.517 4.340 0.001 0.000 0.249 381 L C 1.543 178.362 176.870 -0.085 0.000 1.276 381 L CA -0.542 54.278 54.840 -0.034 0.000 1.199 381 L CB 0.138 42.179 42.059 -0.030 0.000 1.407 381 L HN 0.151 nan 8.230 nan 0.000 0.410 382 Q N 0.829 120.592 119.800 -0.061 0.000 2.224 382 Q HA -0.158 4.182 4.340 0.001 0.000 0.203 382 Q C 2.041 177.998 176.000 -0.072 0.000 0.970 382 Q CA 1.150 56.923 55.803 -0.050 0.000 0.865 382 Q CB -0.120 28.580 28.738 -0.064 0.000 0.922 382 Q HN 0.557 nan 8.270 nan 0.000 0.445 383 R N 0.824 121.257 120.500 -0.112 0.000 2.055 383 R HA -0.138 4.203 4.340 0.001 0.000 0.228 383 R C 2.178 178.376 176.300 -0.169 0.000 1.143 383 R CA 1.348 57.382 56.100 -0.109 0.000 0.945 383 R CB 0.044 30.278 30.300 -0.109 0.000 0.841 383 R HN 0.103 nan 8.270 nan 0.000 0.429 384 Q N 0.352 119.942 119.800 -0.351 0.000 2.077 384 Q HA -0.174 4.167 4.340 0.001 0.000 0.206 384 Q C 2.126 177.936 176.000 -0.317 0.000 0.989 384 Q CA 2.344 57.813 55.803 -0.557 0.000 0.853 384 Q CB -0.464 27.408 28.738 -1.445 0.000 0.907 384 Q HN 0.510 nan 8.270 nan 0.000 0.418 385 A N 0.036 122.729 122.820 -0.212 0.000 1.940 385 A HA -0.316 4.005 4.320 0.001 0.000 0.221 385 A C 2.315 179.933 177.584 0.058 0.000 1.190 385 A CA 1.900 53.998 52.037 0.100 0.000 0.647 385 A CB -1.291 17.770 19.000 0.101 0.000 0.821 385 A HN 0.586 nan 8.150 nan 0.000 0.457 386 C N -1.187 118.115 119.300 0.004 0.000 2.457 386 C HA -0.026 4.434 4.460 0.001 0.000 0.278 386 C C 2.600 177.619 174.990 0.049 0.000 1.309 386 C CA 0.928 59.956 59.018 0.016 0.000 1.735 386 C CB -1.345 26.406 27.740 0.019 0.000 1.992 386 C HN 0.708 nan 8.230 nan 0.000 0.493 387 E N 0.907 121.124 120.200 0.027 0.000 2.077 387 E HA -0.168 4.183 4.350 0.001 0.000 0.193 387 E C 2.003 178.674 176.600 0.117 0.000 0.989 387 E CA 1.129 57.558 56.400 0.049 0.000 0.800 387 E CB -0.091 29.615 29.700 0.011 0.000 0.746 387 E HN 0.517 nan 8.360 nan 0.000 0.452 388 I N 0.793 121.459 120.570 0.160 0.000 2.252 388 I HA -0.210 3.961 4.170 0.001 0.000 0.245 388 I C 2.335 178.618 176.117 0.277 0.000 1.102 388 I CA 1.213 62.657 61.300 0.241 0.000 1.385 388 I CB -0.916 37.271 38.000 0.313 0.000 1.064 388 I HN 0.180 nan 8.210 nan 0.000 0.414 389 L N 0.077 121.440 121.223 0.233 0.000 2.201 389 L HA -0.169 4.172 4.340 0.001 0.000 0.212 389 L C 2.791 179.958 176.870 0.496 0.000 1.105 389 L CA 0.979 56.022 54.840 0.337 0.000 0.775 389 L CB -0.449 41.652 42.059 0.071 0.000 0.913 389 L HN 0.225 nan 8.230 nan 0.000 0.440 390 R N 0.119 120.798 120.500 0.299 0.000 2.062 390 R HA -0.149 4.192 4.340 0.001 0.000 0.229 390 R C 1.863 178.252 176.300 0.149 0.000 1.128 390 R CA 1.607 57.828 56.100 0.202 0.000 0.960 390 R CB -0.062 30.299 30.300 0.103 0.000 0.855 390 R HN 0.265 nan 8.270 nan 0.000 0.432 391 D N -0.131 120.368 120.400 0.165 0.000 2.116 391 D HA -0.239 4.402 4.640 0.001 0.000 0.193 391 D C 1.403 177.832 176.300 0.214 0.000 0.998 391 D CA 1.231 55.308 54.000 0.129 0.000 0.836 391 D CB -0.567 40.373 40.800 0.233 0.000 0.951 391 D HN 0.380 nan 8.370 nan 0.000 0.449 392 W N 0.766 122.162 121.300 0.160 0.000 2.331 392 W HA -0.188 4.472 4.660 0.001 0.000 0.291 392 W C 1.929 178.495 176.519 0.079 0.000 1.214 392 W CA 0.861 58.306 57.345 0.167 0.000 1.228 392 W CB -0.164 29.406 29.460 0.184 0.000 1.135 392 W HN -0.042 nan 8.180 nan 0.000 0.537 393 L N 1.083 122.445 121.223 0.232 0.000 2.209 393 L HA -0.014 4.327 4.340 0.001 0.000 0.207 393 L C 2.720 179.521 176.870 -0.115 0.000 1.094 393 L CA 2.013 56.873 54.840 0.033 0.000 0.790 393 L CB -0.846 41.171 42.059 -0.070 0.000 0.932 393 L HN 0.114 nan 8.230 nan 0.000 0.447 394 R N -2.622 117.774 120.500 -0.173 0.000 2.200 394 R HA -0.082 4.259 4.340 0.001 0.000 0.208 394 R C 1.590 177.697 176.300 -0.322 0.000 1.033 394 R CA 1.130 57.065 56.100 -0.275 0.000 1.000 394 R CB -0.773 29.306 30.300 -0.368 0.000 0.906 394 R HN 0.301 nan 8.270 nan 0.000 0.462 395 Y N 1.433 121.635 120.300 -0.164 0.000 2.529 395 Y HA 0.139 4.690 4.550 0.001 0.000 0.290 395 Y C 0.185 175.893 175.900 -0.320 0.000 1.177 395 Y CA -0.102 57.874 58.100 -0.205 0.000 1.305 395 Y CB 0.847 39.202 38.460 -0.176 0.000 1.047 395 Y HN -0.040 nan 8.280 nan 0.000 0.522 396 T N 2.114 116.491 114.554 -0.295 0.000 2.929 396 T HA 0.125 4.476 4.350 0.001 0.000 0.331 396 T C -1.836 172.662 174.700 -0.337 0.000 1.120 396 T CA -1.518 60.312 62.100 -0.449 0.000 0.973 396 T CB 1.067 69.454 68.868 -0.802 0.000 1.036 396 T HN -0.048 nan 8.240 nan 0.000 0.502 397 P HA -0.298 nan 4.420 nan 0.000 0.222 397 P C 1.497 178.695 177.300 -0.170 0.000 1.155 397 P CA 1.453 64.454 63.100 -0.165 0.000 0.890 397 P CB 0.192 31.807 31.700 -0.143 0.000 0.790 398 A N -1.895 120.740 122.820 -0.309 0.000 1.873 398 A HA -0.184 4.136 4.320 0.001 0.000 0.215 398 A C 1.626 179.119 177.584 -0.151 0.000 1.186 398 A CA 1.477 53.341 52.037 -0.287 0.000 0.616 398 A CB -1.661 17.030 19.000 -0.516 0.000 0.823 398 A HN 0.178 nan 8.150 nan 0.000 0.442 399 Y N -0.360 119.854 120.300 -0.144 0.000 2.466 399 Y HA 0.441 4.991 4.550 0.001 0.000 0.272 399 Y C 2.394 178.118 175.900 -0.294 0.000 1.169 399 Y CA -0.623 57.327 58.100 -0.250 0.000 1.285 399 Y CB -1.180 37.130 38.460 -0.251 0.000 1.078 399 Y HN 0.312 nan 8.280 nan 0.000 0.523 400 A N 0.798 123.558 122.820 -0.101 0.000 1.902 400 A HA -0.237 4.084 4.320 0.001 0.000 0.217 400 A C 2.189 179.713 177.584 -0.099 0.000 1.181 400 A CA 1.974 53.946 52.037 -0.109 0.000 0.623 400 A CB -1.149 17.803 19.000 -0.080 0.000 0.818 400 A HN 0.685 nan 8.150 nan 0.000 0.443 401 H N -0.193 118.856 119.070 -0.034 0.000 2.457 401 H HA -0.039 4.518 4.556 0.001 0.000 0.297 401 H C 1.684 176.997 175.328 -0.024 0.000 1.092 401 H CA 1.436 57.466 56.048 -0.029 0.000 1.309 401 H CB -0.661 29.089 29.762 -0.020 0.000 1.382 401 H HN 0.450 nan 8.280 nan 0.000 0.535 402 L N 1.304 122.196 121.223 -0.552 0.000 2.265 402 L HA -0.023 4.318 4.340 0.001 0.000 0.215 402 L C 0.852 177.629 176.870 -0.155 0.000 1.117 402 L CA 0.136 54.776 54.840 -0.333 0.000 0.782 402 L CB -0.084 41.761 42.059 -0.358 0.000 0.914 402 L HN 0.035 nan 8.230 nan 0.000 0.441 403 V N 0.767 120.602 119.914 -0.131 0.000 2.427 403 V HA -0.019 4.101 4.120 0.001 0.000 0.268 403 V C 1.489 177.545 176.094 -0.064 0.000 1.046 403 V CA 0.217 62.460 62.300 -0.096 0.000 0.970 403 V CB 1.131 32.888 31.823 -0.111 0.000 1.001 403 V HN 0.383 nan 8.190 nan 0.000 0.476 404 T N 5.054 119.577 114.554 -0.052 0.000 2.635 404 T HA -0.172 4.178 4.350 0.001 0.000 0.265 404 T C -0.156 174.526 174.700 -0.030 0.000 1.058 404 T CA 1.642 63.720 62.100 -0.036 0.000 1.162 404 T CB -1.498 67.350 68.868 -0.033 0.000 0.859 404 T HN 0.758 nan 8.240 nan 0.000 0.449 429 S N 0.661 116.424 115.700 0.106 0.000 2.325 429 S HA -0.108 4.362 4.470 0.001 0.000 0.214 429 S C 1.846 176.471 174.600 0.041 0.000 1.031 429 S CA 0.590 58.828 58.200 0.063 0.000 0.972 429 S CB -0.108 63.108 63.200 0.027 0.000 0.908 429 S HN 0.486 nan 8.310 nan 0.000 0.453 430 L N 2.020 123.269 121.223 0.044 0.000 2.021 430 L HA -0.145 4.195 4.340 0.001 0.000 0.215 430 L C 2.038 178.918 176.870 0.018 0.000 1.074 430 L CA 1.882 56.735 54.840 0.021 0.000 0.760 430 L CB -1.101 40.972 42.059 0.025 0.000 0.889 430 L HN 0.331 nan 8.230 nan 0.000 0.433 431 F N -0.363 119.551 119.950 -0.060 0.000 2.120 431 F HA -0.254 4.273 4.527 0.001 0.000 0.300 431 F C 2.002 177.749 175.800 -0.090 0.000 1.095 431 F CA 2.126 60.076 58.000 -0.083 0.000 1.249 431 F CB -0.582 38.369 39.000 -0.082 0.000 0.995 431 F HN 0.170 nan 8.300 nan 0.000 0.480 432 L N 0.503 121.447 121.223 -0.464 0.000 2.240 432 L HA -0.072 4.269 4.340 0.001 0.000 0.211 432 L C 2.489 179.144 176.870 -0.358 0.000 1.106 432 L CA 1.505 56.000 54.840 -0.575 0.000 0.793 432 L CB -0.795 41.155 42.059 -0.181 0.000 0.927 432 L HN 0.327 nan 8.230 nan 0.000 0.446 433 E N -0.810 119.264 120.200 -0.210 0.000 2.031 433 E HA -0.199 4.152 4.350 0.001 0.000 0.193 433 E C 2.163 178.680 176.600 -0.139 0.000 0.994 433 E CA 1.743 58.063 56.400 -0.134 0.000 0.800 433 E CB -0.004 29.651 29.700 -0.073 0.000 0.752 433 E HN 0.286 nan 8.360 nan 0.000 0.447 434 V N 1.656 121.486 119.914 -0.140 0.000 2.287 434 V HA -0.292 3.829 4.120 0.001 0.000 0.248 434 V C 2.566 178.589 176.094 -0.118 0.000 1.053 434 V CA 2.173 64.436 62.300 -0.061 0.000 1.027 434 V CB -0.559 31.235 31.823 -0.048 0.000 0.646 434 V HN 0.303 nan 8.190 nan 0.000 0.447 435 K N -0.242 119.931 120.400 -0.379 0.000 2.059 435 K HA -0.257 4.064 4.320 0.001 0.000 0.212 435 K C 2.012 178.454 176.600 -0.264 0.000 1.050 435 K CA 2.098 58.097 56.287 -0.480 0.000 0.927 435 K CB -0.141 31.906 32.500 -0.756 0.000 0.714 435 K HN 0.566 nan 8.250 nan 0.000 0.447 436 E N 0.114 120.192 120.200 -0.202 0.000 2.435 436 E HA -0.071 4.279 4.350 0.001 0.000 0.195 436 E C 1.929 178.485 176.600 -0.072 0.000 1.029 436 E CA 0.259 56.589 56.400 -0.116 0.000 0.865 436 E CB 0.189 29.826 29.700 -0.106 0.000 0.833 436 E HN 0.355 nan 8.360 nan 0.000 0.510 437 L N -0.345 120.850 121.223 -0.048 0.000 2.068 437 L HA -0.082 4.258 4.340 0.001 0.000 0.204 437 L C 2.136 178.950 176.870 -0.095 0.000 1.076 437 L CA 0.893 55.696 54.840 -0.063 0.000 0.753 437 L CB -0.329 41.703 42.059 -0.044 0.000 0.910 437 L HN 0.061 nan 8.230 nan 0.000 0.439 438 F N 0.287 120.109 119.950 -0.213 0.000 2.171 438 F HA -0.193 4.335 4.527 0.001 0.000 0.300 438 F C 2.299 177.970 175.800 -0.215 0.000 1.090 438 F CA 1.278 59.131 58.000 -0.245 0.000 1.293 438 F CB -0.572 38.270 39.000 -0.264 0.000 1.013 438 F HN -0.070 nan 8.300 nan 0.000 0.486 439 L N -0.782 120.442 121.223 0.001 0.000 2.131 439 L HA -0.197 4.143 4.340 0.001 0.000 0.210 439 L C 2.596 179.443 176.870 -0.038 0.000 1.092 439 L CA 1.034 55.867 54.840 -0.012 0.000 0.759 439 L CB -0.917 41.139 42.059 -0.003 0.000 0.903 439 L HN 0.134 nan 8.230 nan 0.000 0.435 440 A N -0.131 122.649 122.820 -0.068 0.000 1.929 440 A HA -0.050 4.270 4.320 0.001 0.000 0.216 440 A C 2.548 180.071 177.584 -0.103 0.000 1.176 440 A CA 1.367 53.362 52.037 -0.070 0.000 0.628 440 A CB -0.572 18.381 19.000 -0.077 0.000 0.816 440 A HN 0.356 nan 8.150 nan 0.000 0.444 441 A N -0.267 122.413 122.820 -0.233 0.000 1.845 441 A HA -0.055 4.265 4.320 0.001 0.000 0.215 441 A C 2.168 179.647 177.584 -0.175 0.000 1.195 441 A CA 1.857 53.667 52.037 -0.379 0.000 0.616 441 A CB -1.275 17.118 19.000 -1.012 0.000 0.832 441 A HN 0.461 nan 8.150 nan 0.000 0.443 442 V N -0.119 119.708 119.914 -0.146 0.000 2.277 442 V HA -0.378 3.743 4.120 0.001 0.000 0.255 442 V C 2.671 178.770 176.094 0.008 0.000 1.074 442 V CA 2.716 64.994 62.300 -0.037 0.000 1.058 442 V CB -0.731 31.085 31.823 -0.011 0.000 0.656 442 V HN 0.588 nan 8.190 nan 0.000 0.449 443 R N -1.186 119.317 120.500 0.004 0.000 2.276 443 R HA 0.101 4.441 4.340 0.001 0.000 0.203 443 R C 2.071 178.399 176.300 0.047 0.000 1.017 443 R CA 0.435 56.549 56.100 0.024 0.000 1.010 443 R CB -0.244 30.066 30.300 0.017 0.000 0.900 443 R HN 0.485 nan 8.270 nan 0.000 0.469 444 L N -0.374 120.891 121.223 0.071 0.000 1.989 444 L HA -0.171 4.170 4.340 0.001 0.000 0.211 444 L C 0.404 177.328 176.870 0.090 0.000 1.071 444 L CA 1.304 56.211 54.840 0.111 0.000 0.749 444 L CB 0.002 42.180 42.059 0.198 0.000 0.890 444 L HN 0.136 nan 8.230 nan 0.000 0.431 445 D N -1.607 118.851 120.400 0.096 0.000 2.405 445 D HA 0.177 4.818 4.640 0.001 0.000 0.264 445 D C -2.056 174.282 176.300 0.063 0.000 1.240 445 D CA -1.594 52.451 54.000 0.074 0.000 0.893 445 D CB 0.925 41.773 40.800 0.080 0.000 1.198 445 D HN -0.078 nan 8.370 nan 0.000 0.514 446 P HA 0.042 nan 4.420 nan 0.000 0.249 446 P C 1.073 178.393 177.300 0.033 0.000 1.241 446 P CA 0.411 63.534 63.100 0.038 0.000 0.781 446 P CB 0.062 31.779 31.700 0.028 0.000 1.088 447 T N -4.101 110.474 114.554 0.035 0.000 3.057 447 T HA 0.108 4.459 4.350 0.001 0.000 0.254 447 T C 0.792 175.512 174.700 0.033 0.000 1.094 447 T CA 0.135 62.253 62.100 0.030 0.000 1.088 447 T CB -0.423 68.460 68.868 0.026 0.000 0.934 447 T HN 0.154 nan 8.240 nan 0.000 0.497 448 S N 0.294 116.020 115.700 0.043 0.000 2.599 448 S HA 0.738 5.208 4.470 0.001 0.000 0.294 448 S C -0.854 173.781 174.600 0.060 0.000 1.094 448 S CA -1.116 57.113 58.200 0.048 0.000 0.931 448 S CB 1.551 64.780 63.200 0.048 0.000 1.093 448 S HN 0.305 nan 8.310 nan 0.000 0.488 449 I N 1.996 122.600 120.570 0.057 0.000 2.359 449 I HA 0.248 4.419 4.170 0.001 0.000 0.284 449 I C -0.575 175.592 176.117 0.082 0.000 1.018 449 I CA -0.421 60.915 61.300 0.060 0.000 1.173 449 I CB 1.065 39.088 38.000 0.037 0.000 1.326 449 I HN 0.663 nan 8.210 nan 0.000 0.462 450 D N 9.765 130.239 120.400 0.123 0.000 2.338 450 D HA 0.129 4.770 4.640 0.001 0.000 0.255 450 D C -1.553 174.816 176.300 0.114 0.000 1.237 450 D CA -1.996 52.106 54.000 0.170 0.000 0.883 450 D CB 1.557 42.549 40.800 0.320 0.000 1.087 450 D HN 0.260 nan 8.370 nan 0.000 0.485 451 P HA 0.018 nan 4.420 nan 0.000 0.241 451 P C 0.408 177.710 177.300 0.004 0.000 1.191 451 P CA 0.296 63.414 63.100 0.030 0.000 0.771 451 P CB 0.776 32.492 31.700 0.025 0.000 0.929 452 D N -0.468 119.960 120.400 0.047 0.000 2.216 452 D HA -0.031 4.610 4.640 0.001 0.000 0.208 452 D C 2.121 178.245 176.300 -0.293 0.000 0.960 452 D CA 0.576 54.520 54.000 -0.093 0.000 0.861 452 D CB -0.319 40.547 40.800 0.110 0.000 0.985 452 D HN -0.073 nan 8.370 nan 0.000 0.493 453 V N 1.621 121.482 119.914 -0.088 0.000 2.255 453 V HA -0.246 3.875 4.120 0.001 0.000 0.247 453 V C 2.527 178.625 176.094 0.007 0.000 1.051 453 V CA 1.587 63.889 62.300 0.003 0.000 1.018 453 V CB -0.303 31.533 31.823 0.021 0.000 0.641 453 V HN 0.183 nan 8.190 nan 0.000 0.445 454 Q N -1.340 118.430 119.800 -0.051 0.000 2.123 454 Q HA -0.179 4.162 4.340 0.001 0.000 0.199 454 Q C 2.410 178.258 176.000 -0.253 0.000 0.966 454 Q CA 1.789 57.523 55.803 -0.116 0.000 0.845 454 Q CB -1.133 27.553 28.738 -0.087 0.000 0.907 454 Q HN 0.763 nan 8.270 nan 0.000 0.439 455 C N 0.508 119.681 119.300 -0.212 0.000 2.413 455 C HA -0.119 4.342 4.460 0.001 0.000 0.278 455 C C 2.766 177.571 174.990 -0.307 0.000 1.224 455 C CA 1.517 60.397 59.018 -0.230 0.000 1.732 455 C CB -1.217 26.454 27.740 -0.115 0.000 2.050 455 C HN 0.637 nan 8.230 nan 0.000 0.463 456 G N 0.478 109.091 108.800 -0.311 0.000 2.514 456 G HA2 -0.264 3.696 3.960 0.001 0.000 0.217 456 G HA3 -0.264 3.696 3.960 0.001 0.000 0.217 456 G C 1.502 175.988 174.900 -0.691 0.000 1.198 456 G CA 1.254 46.059 45.100 -0.490 0.000 0.780 456 G HN 0.568 nan 8.290 nan 0.000 0.565 457 L N 1.663 122.532 121.223 -0.590 0.000 2.043 457 L HA 0.045 4.385 4.340 0.001 0.000 0.212 457 L C 2.836 179.442 176.870 -0.439 0.000 1.075 457 L CA 2.480 56.993 54.840 -0.545 0.000 0.752 457 L CB -1.019 40.904 42.059 -0.228 0.000 0.891 457 L HN 0.205 nan 8.230 nan 0.000 0.432 458 G N -1.863 106.673 108.800 -0.439 0.000 2.443 458 G HA2 -0.132 3.828 3.960 0.001 0.000 0.219 458 G HA3 -0.132 3.828 3.960 0.001 0.000 0.219 458 G C 1.550 176.283 174.900 -0.278 0.000 1.131 458 G CA 0.807 45.581 45.100 -0.544 0.000 0.775 458 G HN 0.332 nan 8.290 nan 0.000 0.547 459 V N 0.774 120.555 119.914 -0.221 0.000 2.358 459 V HA -0.089 4.031 4.120 0.001 0.000 0.246 459 V C 2.874 178.940 176.094 -0.046 0.000 1.047 459 V CA 1.336 63.641 62.300 0.008 0.000 1.035 459 V CB -0.271 31.524 31.823 -0.047 0.000 0.658 459 V HN 0.359 nan 8.190 nan 0.000 0.452 460 L N -1.543 119.547 121.223 -0.220 0.000 2.093 460 L HA -0.118 4.223 4.340 0.001 0.000 0.208 460 L C 2.300 179.125 176.870 -0.074 0.000 1.085 460 L CA 1.665 56.390 54.840 -0.192 0.000 0.755 460 L CB -0.529 41.249 42.059 -0.468 0.000 0.904 460 L HN 0.250 nan 8.230 nan 0.000 0.435 461 F N -0.465 119.462 119.950 -0.038 0.000 2.325 461 F HA -0.134 4.394 4.527 0.001 0.000 0.299 461 F C 2.510 178.286 175.800 -0.041 0.000 1.090 461 F CA 0.646 58.631 58.000 -0.025 0.000 1.392 461 F CB -0.197 38.767 39.000 -0.060 0.000 1.053 461 F HN 0.192 nan 8.300 nan 0.000 0.521 462 N N 1.223 120.053 118.700 0.217 0.000 2.106 462 N HA -0.163 4.577 4.740 0.001 0.000 0.188 462 N C 2.115 177.662 175.510 0.061 0.000 1.029 462 N CA 1.496 54.675 53.050 0.214 0.000 0.848 462 N CB -0.091 38.603 38.487 0.345 0.000 1.007 462 N HN 0.265 nan 8.380 nan 0.000 0.423 463 L N 1.123 122.373 121.223 0.046 0.000 2.042 463 L HA -0.103 4.237 4.340 0.001 0.000 0.210 463 L C 2.200 178.974 176.870 -0.160 0.000 1.076 463 L CA 2.428 57.242 54.840 -0.043 0.000 0.749 463 L CB -1.507 40.517 42.059 -0.059 0.000 0.893 463 L HN 0.125 nan 8.230 nan 0.000 0.432 464 S N -0.844 114.770 115.700 -0.144 0.000 2.607 464 S HA 0.276 4.747 4.470 0.001 0.000 0.224 464 S C 1.675 176.156 174.600 -0.197 0.000 0.969 464 S CA 0.287 58.373 58.200 -0.190 0.000 0.927 464 S CB -0.933 62.329 63.200 0.104 0.000 0.772 464 S HN 1.230 nan 8.310 nan 0.000 0.533 465 G N 1.045 109.629 108.800 -0.360 0.000 2.148 465 G HA2 -0.265 3.696 3.960 0.001 0.000 0.254 465 G HA3 -0.265 3.696 3.960 0.001 0.000 0.254 465 G C -0.108 174.357 174.900 -0.726 0.000 0.981 465 G CA 0.251 44.897 45.100 -0.758 0.000 0.670 465 G HN 0.633 nan 8.290 nan 0.000 0.528 466 E N 0.129 120.119 120.200 -0.351 0.000 2.261 466 E HA 0.363 4.713 4.350 0.001 0.000 0.308 466 E C 0.951 177.468 176.600 -0.138 0.000 1.400 466 E CA -0.587 55.705 56.400 -0.180 0.000 1.542 466 E CB -0.145 29.538 29.700 -0.028 0.000 1.369 466 E HN 0.681 nan 8.360 nan 0.000 0.493 467 Y N 0.587 120.905 120.300 0.030 0.000 2.181 467 Y HA -0.232 4.318 4.550 0.001 0.000 0.288 467 Y C 2.007 177.914 175.900 0.011 0.000 1.146 467 Y CA 0.625 58.753 58.100 0.048 0.000 1.164 467 Y CB 0.180 38.666 38.460 0.042 0.000 0.982 467 Y HN 0.308 nan 8.280 nan 0.000 0.515 468 D N 0.139 120.604 120.400 0.108 0.000 2.218 468 D HA -0.136 4.505 4.640 0.001 0.000 0.204 468 D C 1.694 177.955 176.300 -0.066 0.000 0.976 468 D CA 1.123 55.138 54.000 0.024 0.000 0.853 468 D CB -0.090 40.707 40.800 -0.006 0.000 0.939 468 D HN 0.432 nan 8.370 nan 0.000 0.481 469 K N 0.390 120.672 120.400 -0.197 0.000 2.243 469 K HA 0.074 4.394 4.320 0.001 0.000 0.201 469 K C 2.057 178.508 176.600 -0.248 0.000 1.051 469 K CA 0.431 56.453 56.287 -0.441 0.000 0.970 469 K CB 0.240 32.066 32.500 -1.123 0.000 0.755 469 K HN -0.028 nan 8.250 nan 0.000 0.465 470 A N 1.241 124.060 122.820 -0.002 0.000 1.898 470 A HA -0.090 4.230 4.320 0.001 0.000 0.216 470 A C 2.342 180.044 177.584 0.196 0.000 1.181 470 A CA 1.049 53.180 52.037 0.157 0.000 0.620 470 A CB -0.594 18.633 19.000 0.379 0.000 0.819 470 A HN 0.016 nan 8.150 nan 0.000 0.442 471 V N 0.872 120.913 119.914 0.211 0.000 2.231 471 V HA -0.320 3.801 4.120 0.001 0.000 0.248 471 V C 2.263 178.408 176.094 0.086 0.000 1.054 471 V CA 2.501 64.909 62.300 0.180 0.000 1.015 471 V CB -0.837 31.044 31.823 0.096 0.000 0.638 471 V HN 0.522 nan 8.190 nan 0.000 0.444 472 D N -0.727 119.679 120.400 0.009 0.000 2.158 472 D HA -0.183 4.458 4.640 0.001 0.000 0.197 472 D C 2.143 178.420 176.300 -0.038 0.000 0.995 472 D CA 1.861 55.847 54.000 -0.023 0.000 0.846 472 D CB -0.327 40.439 40.800 -0.057 0.000 0.941 472 D HN 0.518 nan 8.370 nan 0.000 0.456 473 C N -0.172 119.082 119.300 -0.077 0.000 2.489 473 C HA -0.070 4.390 4.460 0.001 0.000 0.279 473 C C 2.637 177.501 174.990 -0.210 0.000 1.266 473 C CA -0.030 58.889 59.018 -0.166 0.000 1.707 473 C CB -1.373 26.199 27.740 -0.281 0.000 2.059 473 C HN 0.263 nan 8.230 nan 0.000 0.481 474 F N 1.198 121.123 119.950 -0.042 0.000 2.171 474 F HA -0.183 4.345 4.527 0.001 0.000 0.300 474 F C 2.665 178.366 175.800 -0.165 0.000 1.090 474 F CA 1.811 59.749 58.000 -0.103 0.000 1.293 474 F CB -1.113 37.830 39.000 -0.095 0.000 1.013 474 F HN 0.150 nan 8.300 nan 0.000 0.486 475 T N -0.200 114.374 114.554 0.033 0.000 2.720 475 T HA -0.209 4.142 4.350 0.001 0.000 0.268 475 T C 2.219 176.877 174.700 -0.070 0.000 1.037 475 T CA 1.338 63.405 62.100 -0.056 0.000 1.144 475 T CB -0.522 68.334 68.868 -0.019 0.000 0.864 475 T HN 0.333 nan 8.240 nan 0.000 0.444 476 A N 1.209 124.000 122.820 -0.049 0.000 1.929 476 A HA 0.284 4.604 4.320 0.001 0.000 0.216 476 A C 2.637 180.193 177.584 -0.045 0.000 1.176 476 A CA 1.591 53.605 52.037 -0.039 0.000 0.628 476 A CB -1.020 17.962 19.000 -0.029 0.000 0.816 476 A HN 0.486 nan 8.150 nan 0.000 0.444 477 A N -0.279 122.504 122.820 -0.062 0.000 1.940 477 A HA -0.086 4.234 4.320 0.001 0.000 0.219 477 A C 2.115 179.650 177.584 -0.082 0.000 1.176 477 A CA 1.574 53.576 52.037 -0.058 0.000 0.631 477 A CB -0.541 18.423 19.000 -0.060 0.000 0.814 477 A HN 0.476 nan 8.150 nan 0.000 0.446 478 L N 0.108 121.240 121.223 -0.153 0.000 2.240 478 L HA -0.113 4.227 4.340 0.001 0.000 0.211 478 L C 2.943 179.748 176.870 -0.108 0.000 1.106 478 L CA 1.116 55.807 54.840 -0.248 0.000 0.793 478 L CB -0.301 41.399 42.059 -0.600 0.000 0.927 478 L HN 0.631 nan 8.230 nan 0.000 0.446 479 S N -0.547 115.117 115.700 -0.061 0.000 2.383 479 S HA -0.155 4.316 4.470 0.001 0.000 0.229 479 S C 1.748 176.358 174.600 0.017 0.000 1.030 479 S CA 1.561 59.760 58.200 -0.001 0.000 1.002 479 S CB -0.472 62.730 63.200 0.003 0.000 0.829 479 S HN 0.203 nan 8.310 nan 0.000 0.467 480 V N 1.052 120.969 119.914 0.005 0.000 2.685 480 V HA 0.237 4.357 4.120 0.001 0.000 0.244 480 V C 1.402 177.515 176.094 0.030 0.000 1.054 480 V CA 0.888 63.202 62.300 0.023 0.000 1.076 480 V CB -0.531 31.308 31.823 0.025 0.000 0.725 480 V HN 0.406 nan 8.190 nan 0.000 0.467 481 R N 1.157 121.664 120.500 0.012 0.000 3.057 481 R HA 0.244 4.585 4.340 0.001 0.000 0.291 481 R C -2.033 174.296 176.300 0.049 0.000 1.394 481 R CA -1.340 54.776 56.100 0.027 0.000 1.630 481 R CB 0.605 30.907 30.300 0.003 0.000 1.268 481 R HN 0.330 nan 8.270 nan 0.000 0.621 482 P HA -0.061 nan 4.420 nan 0.000 0.242 482 P C -0.125 177.422 177.300 0.412 0.000 1.197 482 P CA 0.775 64.031 63.100 0.259 0.000 0.765 482 P CB 0.382 32.221 31.700 0.231 0.000 0.936 483 N N -0.394 118.468 118.700 0.271 0.000 2.203 483 N HA 0.004 4.744 4.740 0.001 0.000 0.207 483 N C 0.166 175.842 175.510 0.277 0.000 1.130 483 N CA 0.099 53.318 53.050 0.281 0.000 0.861 483 N CB 0.025 38.620 38.487 0.181 0.000 1.005 483 N HN 0.080 nan 8.380 nan 0.000 0.507 484 D N 1.199 121.710 120.400 0.185 0.000 2.416 484 D HA -0.050 4.591 4.640 0.001 0.000 0.240 484 D C 1.150 177.540 176.300 0.151 0.000 1.250 484 D CA -0.361 53.650 54.000 0.018 0.000 0.967 484 D CB 0.126 40.882 40.800 -0.074 0.000 1.059 484 D HN 0.318 nan 8.370 nan 0.000 0.512 485 Y N 2.440 122.860 120.300 0.199 0.000 2.224 485 Y HA -0.171 4.380 4.550 0.001 0.000 0.289 485 Y C 1.938 177.887 175.900 0.081 0.000 1.146 485 Y CA 0.174 58.389 58.100 0.193 0.000 1.182 485 Y CB -0.413 38.023 38.460 -0.041 0.000 0.983 485 Y HN 0.239 nan 8.280 nan 0.000 0.524 486 L N 1.375 122.347 121.223 -0.419 0.000 1.991 486 L HA -0.261 4.079 4.340 0.001 0.000 0.221 486 L C 2.183 179.057 176.870 0.007 0.000 1.079 486 L CA 2.234 56.974 54.840 -0.167 0.000 0.778 486 L CB -1.094 40.811 42.059 -0.256 0.000 0.893 486 L HN 0.533 nan 8.230 nan 0.000 0.437 487 L N -2.233 118.954 121.223 -0.059 0.000 2.046 487 L HA -0.259 4.082 4.340 0.001 0.000 0.208 487 L C 2.526 179.303 176.870 -0.155 0.000 1.077 487 L CA 1.569 56.350 54.840 -0.099 0.000 0.747 487 L CB -0.788 41.190 42.059 -0.136 0.000 0.896 487 L HN 0.341 nan 8.230 nan 0.000 0.432 488 W N 0.806 122.123 121.300 0.027 0.000 2.304 488 W HA -0.304 4.356 4.660 0.001 0.000 0.315 488 W C 2.660 179.198 176.519 0.032 0.000 1.233 488 W CA 1.704 59.068 57.345 0.032 0.000 1.261 488 W CB -0.556 28.954 29.460 0.084 0.000 1.150 488 W HN 0.277 nan 8.180 nan 0.000 0.494 489 N N 0.431 119.363 118.700 0.387 0.000 2.058 489 N HA -0.187 4.554 4.740 0.001 0.000 0.191 489 N C 1.621 177.225 175.510 0.157 0.000 1.037 489 N CA 1.977 55.264 53.050 0.395 0.000 0.848 489 N CB -0.374 38.422 38.487 0.515 0.000 1.021 489 N HN -0.027 nan 8.380 nan 0.000 0.422 490 K N -0.190 120.183 120.400 -0.045 0.000 2.034 490 K HA -0.202 4.118 4.320 0.001 0.000 0.214 490 K C 1.932 178.190 176.600 -0.569 0.000 1.051 490 K CA 1.500 57.550 56.287 -0.396 0.000 0.931 490 K CB -0.609 31.445 32.500 -0.744 0.000 0.715 490 K HN 0.232 nan 8.250 nan 0.000 0.446 491 L N 0.960 121.886 121.223 -0.494 0.000 2.127 491 L HA -0.111 4.229 4.340 0.001 0.000 0.211 491 L C 2.123 178.876 176.870 -0.196 0.000 1.089 491 L CA 2.019 56.692 54.840 -0.278 0.000 0.757 491 L CB -0.904 41.069 42.059 -0.145 0.000 0.899 491 L HN 0.230 nan 8.230 nan 0.000 0.434 492 G N -1.239 107.421 108.800 -0.233 0.000 2.418 492 G HA2 -0.231 3.730 3.960 0.001 0.000 0.217 492 G HA3 -0.231 3.730 3.960 0.001 0.000 0.217 492 G C 1.565 176.288 174.900 -0.296 0.000 1.158 492 G CA 0.821 45.577 45.100 -0.573 0.000 0.771 492 G HN 0.626 nan 8.290 nan 0.000 0.545 493 A N 0.414 123.219 122.820 -0.026 0.000 1.841 493 A HA 0.016 4.337 4.320 0.001 0.000 0.214 493 A C 2.522 180.058 177.584 -0.080 0.000 1.195 493 A CA 2.436 54.495 52.037 0.037 0.000 0.611 493 A CB -1.126 17.897 19.000 0.038 0.000 0.835 493 A HN 0.268 nan 8.150 nan 0.000 0.443 494 T N 0.681 115.176 114.554 -0.098 0.000 2.778 494 T HA -0.164 4.186 4.350 0.001 0.000 0.269 494 T C 1.764 176.426 174.700 -0.064 0.000 1.050 494 T CA 1.608 63.696 62.100 -0.020 0.000 1.137 494 T CB -0.425 68.521 68.868 0.130 0.000 0.860 494 T HN 0.331 nan 8.240 nan 0.000 0.468 495 L N 0.446 121.620 121.223 -0.083 0.000 2.044 495 L HA -0.029 4.312 4.340 0.001 0.000 0.205 495 L C 3.057 179.867 176.870 -0.101 0.000 1.075 495 L CA 1.165 55.957 54.840 -0.080 0.000 0.747 495 L CB -0.678 41.321 42.059 -0.100 0.000 0.903 495 L HN 0.238 nan 8.230 nan 0.000 0.435 496 A N 0.238 122.997 122.820 -0.103 0.000 1.917 496 A HA -0.264 4.057 4.320 0.001 0.000 0.219 496 A C 1.974 179.467 177.584 -0.152 0.000 1.182 496 A CA 2.197 54.188 52.037 -0.077 0.000 0.633 496 A CB -0.711 18.291 19.000 0.003 0.000 0.819 496 A HN 0.458 nan 8.150 nan 0.000 0.448 497 N N -0.041 118.488 118.700 -0.285 0.000 2.364 497 N HA -0.074 4.666 4.740 0.001 0.000 0.183 497 N C 1.366 176.563 175.510 -0.521 0.000 1.022 497 N CA 1.227 53.922 53.050 -0.592 0.000 0.883 497 N CB -0.418 37.345 38.487 -1.207 0.000 0.965 497 N HN 0.482 nan 8.380 nan 0.000 0.438 498 G N -0.187 108.461 108.800 -0.254 0.000 3.609 498 G HA2 0.015 3.975 3.960 0.001 0.000 0.280 498 G HA3 0.015 3.975 3.960 0.001 0.000 0.280 498 G C -0.012 174.863 174.900 -0.041 0.000 1.155 498 G CA -0.392 44.671 45.100 -0.062 0.000 0.876 498 G HN 0.065 nan 8.290 nan 0.000 0.535 499 N N 0.218 118.878 118.700 -0.066 0.000 2.725 499 N HA -0.145 4.595 4.740 0.001 0.000 0.249 499 N C 0.458 175.952 175.510 -0.026 0.000 1.103 499 N CA 0.827 53.855 53.050 -0.037 0.000 0.707 499 N CB -1.022 37.454 38.487 -0.017 0.000 1.043 499 N HN 0.529 nan 8.380 nan 0.000 0.553 500 Q N -0.855 118.923 119.800 -0.035 0.000 2.936 500 Q HA 0.295 4.635 4.340 0.001 0.000 0.383 500 Q C 0.709 176.688 176.000 -0.035 0.000 1.167 500 Q CA -0.144 55.641 55.803 -0.029 0.000 1.038 500 Q CB 0.362 29.083 28.738 -0.028 0.000 1.409 500 Q HN 0.205 nan 8.270 nan 0.000 0.448 501 S N 1.099 116.786 115.700 -0.023 0.000 2.370 501 S HA -0.203 4.268 4.470 0.001 0.000 0.226 501 S C 1.733 176.322 174.600 -0.017 0.000 1.033 501 S CA 1.463 59.656 58.200 -0.012 0.000 1.011 501 S CB 0.160 63.361 63.200 0.002 0.000 0.852 501 S HN 0.482 nan 8.310 nan 0.000 0.457 502 E N 1.120 121.309 120.200 -0.018 0.000 2.058 502 E HA -0.176 4.175 4.350 0.001 0.000 0.194 502 E C 1.878 178.459 176.600 -0.031 0.000 0.997 502 E CA 1.497 57.886 56.400 -0.018 0.000 0.801 502 E CB -0.142 29.549 29.700 -0.014 0.000 0.746 502 E HN 0.430 nan 8.360 nan 0.000 0.450 503 E N -0.293 119.885 120.200 -0.037 0.000 2.107 503 E HA -0.008 4.342 4.350 0.001 0.000 0.191 503 E C 1.870 178.414 176.600 -0.093 0.000 0.982 503 E CA 1.025 57.401 56.400 -0.041 0.000 0.809 503 E CB -0.381 29.304 29.700 -0.024 0.000 0.756 503 E HN 0.348 nan 8.360 nan 0.000 0.459 504 A N 0.621 123.356 122.820 -0.141 0.000 1.892 504 A HA -0.231 4.090 4.320 0.001 0.000 0.218 504 A C 2.473 179.813 177.584 -0.406 0.000 1.188 504 A CA 1.731 53.572 52.037 -0.327 0.000 0.631 504 A CB -0.953 17.917 19.000 -0.216 0.000 0.822 504 A HN 0.169 nan 8.150 nan 0.000 0.447 505 V N -0.353 119.485 119.914 -0.126 0.000 2.261 505 V HA -0.258 3.862 4.120 0.001 0.000 0.246 505 V C 3.085 179.147 176.094 -0.055 0.000 1.047 505 V CA 2.054 64.348 62.300 -0.010 0.000 1.015 505 V CB -1.249 30.584 31.823 0.016 0.000 0.642 505 V HN 0.664 nan 8.190 nan 0.000 0.446 506 A N -0.019 122.759 122.820 -0.070 0.000 1.873 506 A HA -0.243 4.078 4.320 0.001 0.000 0.218 506 A C 2.454 179.976 177.584 -0.104 0.000 1.193 506 A CA 2.591 54.584 52.037 -0.073 0.000 0.629 506 A CB -1.044 17.929 19.000 -0.044 0.000 0.826 506 A HN 0.627 nan 8.150 nan 0.000 0.447 507 A N -1.108 121.663 122.820 -0.082 0.000 1.873 507 A HA -0.187 4.133 4.320 0.001 0.000 0.218 507 A C 2.132 179.701 177.584 -0.025 0.000 1.193 507 A CA 1.774 53.826 52.037 0.025 0.000 0.629 507 A CB -1.060 17.923 19.000 -0.028 0.000 0.826 507 A HN 0.694 nan 8.150 nan 0.000 0.447 508 Y N -0.649 119.676 120.300 0.041 0.000 2.145 508 Y HA -0.212 4.339 4.550 0.001 0.000 0.286 508 Y C 2.788 178.653 175.900 -0.059 0.000 1.145 508 Y CA 1.317 59.424 58.100 0.012 0.000 1.148 508 Y CB -0.283 38.154 38.460 -0.039 0.000 0.981 508 Y HN 0.192 nan 8.280 nan 0.000 0.507 509 R N 0.078 120.597 120.500 0.031 0.000 2.096 509 R HA -0.246 4.094 4.340 0.001 0.000 0.240 509 R C 2.310 178.532 176.300 -0.130 0.000 1.139 509 R CA 1.859 57.923 56.100 -0.060 0.000 0.952 509 R CB -0.428 29.823 30.300 -0.082 0.000 0.854 509 R HN 0.165 nan 8.270 nan 0.000 0.436 510 R N 0.925 121.267 120.500 -0.264 0.000 2.120 510 R HA -0.067 4.274 4.340 0.001 0.000 0.234 510 R C 1.864 177.899 176.300 -0.442 0.000 1.123 510 R CA 1.785 57.564 56.100 -0.535 0.000 0.975 510 R CB -0.511 29.099 30.300 -1.150 0.000 0.866 510 R HN 0.271 nan 8.270 nan 0.000 0.446 511 A N -0.369 122.353 122.820 -0.164 0.000 2.067 511 A HA 0.065 4.386 4.320 0.001 0.000 0.217 511 A C 2.049 179.672 177.584 0.065 0.000 1.156 511 A CA 0.815 52.912 52.037 0.099 0.000 0.683 511 A CB -0.246 18.985 19.000 0.383 0.000 0.808 511 A HN 0.337 nan 8.150 nan 0.000 0.455 512 L N -0.992 120.245 121.223 0.023 0.000 2.162 512 L HA -0.070 4.271 4.340 0.001 0.000 0.205 512 L C 2.386 179.223 176.870 -0.054 0.000 1.086 512 L CA 0.871 55.711 54.840 -0.001 0.000 0.778 512 L CB -0.429 41.628 42.059 -0.003 0.000 0.928 512 L HN 0.394 nan 8.230 nan 0.000 0.446 513 E N 0.520 120.672 120.200 -0.081 0.000 2.048 513 E HA -0.276 4.074 4.350 0.001 0.000 0.202 513 E C 2.215 178.764 176.600 -0.085 0.000 1.021 513 E CA 1.592 57.939 56.400 -0.088 0.000 0.825 513 E CB -0.276 29.352 29.700 -0.121 0.000 0.756 513 E HN 0.417 nan 8.360 nan 0.000 0.454 514 L N -0.347 120.822 121.223 -0.091 0.000 2.217 514 L HA -0.086 4.255 4.340 0.001 0.000 0.211 514 L C 1.130 177.881 176.870 -0.198 0.000 1.107 514 L CA 0.678 55.479 54.840 -0.064 0.000 0.783 514 L CB 0.181 42.275 42.059 0.058 0.000 0.919 514 L HN 0.073 nan 8.230 nan 0.000 0.442 515 Q N -1.458 118.176 119.800 -0.277 0.000 3.258 515 Q HA 0.191 4.532 4.340 0.001 0.000 0.214 515 Q C -2.046 173.857 176.000 -0.162 0.000 0.873 515 Q CA -1.245 54.324 55.803 -0.389 0.000 0.752 515 Q CB 1.733 29.846 28.738 -1.042 0.000 1.396 515 Q HN -0.081 nan 8.270 nan 0.000 0.463 516 P HA -0.128 nan 4.420 nan 0.000 0.217 516 P C 1.049 178.348 177.300 -0.002 0.000 1.148 516 P CA 1.418 64.498 63.100 -0.034 0.000 0.828 516 P CB 0.332 32.012 31.700 -0.034 0.000 0.783 517 G N -2.624 106.173 108.800 -0.004 0.000 2.920 517 G HA2 -0.170 3.791 3.960 0.001 0.000 0.208 517 G HA3 -0.170 3.791 3.960 0.001 0.000 0.208 517 G C 0.088 175.045 174.900 0.095 0.000 1.159 517 G CA -0.152 44.965 45.100 0.029 0.000 0.784 517 G HN 0.191 nan 8.290 nan 0.000 0.535 518 Y N 2.920 123.180 120.300 -0.068 0.000 2.604 518 Y HA 0.113 4.664 4.550 0.001 0.000 0.341 518 Y C 1.714 177.614 175.900 0.001 0.000 1.249 518 Y CA -1.835 56.252 58.100 -0.022 0.000 1.926 518 Y CB -0.446 37.998 38.460 -0.027 0.000 1.941 518 Y HN 0.031 nan 8.280 nan 0.000 0.426 519 I N 1.796 122.328 120.570 -0.064 0.000 2.147 519 I HA -0.437 3.734 4.170 0.001 0.000 0.245 519 I C 2.551 178.568 176.117 -0.167 0.000 1.059 519 I CA 2.029 63.266 61.300 -0.104 0.000 1.320 519 I CB -0.839 37.098 38.000 -0.105 0.000 1.021 519 I HN 0.545 nan 8.210 nan 0.000 0.415 520 R N 0.748 121.052 120.500 -0.328 0.000 2.120 520 R HA -0.116 4.225 4.340 0.001 0.000 0.234 520 R C 2.059 178.210 176.300 -0.249 0.000 1.123 520 R CA 1.958 57.892 56.100 -0.277 0.000 0.975 520 R CB -0.432 29.637 30.300 -0.386 0.000 0.866 520 R HN 0.222 nan 8.270 nan 0.000 0.446 521 S N 0.517 116.049 115.700 -0.280 0.000 2.414 521 S HA 0.018 4.489 4.470 0.001 0.000 0.227 521 S C 1.778 176.243 174.600 -0.224 0.000 1.022 521 S CA 0.692 58.787 58.200 -0.176 0.000 0.958 521 S CB -0.135 63.157 63.200 0.152 0.000 0.797 521 S HN 0.394 nan 8.310 nan 0.000 0.493 522 R N -0.115 120.315 120.500 -0.117 0.000 2.081 522 R HA -0.137 4.204 4.340 0.001 0.000 0.235 522 R C 2.187 178.458 176.300 -0.049 0.000 1.131 522 R CA 1.455 57.496 56.100 -0.099 0.000 0.960 522 R CB -0.361 29.928 30.300 -0.018 0.000 0.856 522 R HN 0.447 nan 8.270 nan 0.000 0.436 523 Y N 1.574 121.789 120.300 -0.142 0.000 2.133 523 Y HA -0.146 4.405 4.550 0.001 0.000 0.287 523 Y C 1.822 177.653 175.900 -0.115 0.000 1.134 523 Y CA 1.636 59.722 58.100 -0.024 0.000 1.133 523 Y CB -0.415 37.987 38.460 -0.097 0.000 0.987 523 Y HN 0.111 nan 8.280 nan 0.000 0.502 524 N N 0.608 119.059 118.700 -0.415 0.000 2.094 524 N HA -0.208 4.533 4.740 0.001 0.000 0.191 524 N C 1.931 176.941 175.510 -0.834 0.000 1.023 524 N CA 1.489 54.063 53.050 -0.794 0.000 0.857 524 N CB -0.935 36.804 38.487 -1.247 0.000 1.013 524 N HN 0.420 nan 8.380 nan 0.000 0.426 525 L N 1.070 121.814 121.223 -0.798 0.000 1.990 525 L HA -0.111 4.229 4.340 0.001 0.000 0.213 525 L C 2.143 178.892 176.870 -0.202 0.000 1.072 525 L CA 2.235 56.901 54.840 -0.291 0.000 0.755 525 L CB -1.227 40.612 42.059 -0.366 0.000 0.889 525 L HN 0.203 nan 8.230 nan 0.000 0.432 526 G N -0.515 108.144 108.800 -0.235 0.000 2.446 526 G HA2 -0.289 3.672 3.960 0.001 0.000 0.217 526 G HA3 -0.289 3.672 3.960 0.001 0.000 0.217 526 G C 1.677 176.458 174.900 -0.198 0.000 1.168 526 G CA 1.241 46.105 45.100 -0.393 0.000 0.771 526 G HN 0.496 nan 8.290 nan 0.000 0.551 527 I N 0.942 121.505 120.570 -0.013 0.000 2.163 527 I HA -0.191 3.979 4.170 0.001 0.000 0.243 527 I C 2.961 179.075 176.117 -0.006 0.000 1.085 527 I CA 1.336 62.633 61.300 -0.006 0.000 1.347 527 I CB -0.086 37.772 38.000 -0.237 0.000 1.044 527 I HN 0.109 nan 8.210 nan 0.000 0.408 528 S N -0.482 115.214 115.700 -0.006 0.000 2.423 528 S HA -0.168 4.302 4.470 0.001 0.000 0.231 528 S C 2.082 176.698 174.600 0.027 0.000 1.014 528 S CA 1.012 59.242 58.200 0.050 0.000 0.965 528 S CB -0.415 62.879 63.200 0.157 0.000 0.785 528 S HN 0.502 nan 8.310 nan 0.000 0.495 529 C N 1.690 120.991 119.300 0.002 0.000 2.446 529 C HA 0.004 4.465 4.460 0.001 0.000 0.277 529 C C 2.485 177.478 174.990 0.005 0.000 1.275 529 C CA 0.130 59.141 59.018 -0.010 0.000 1.727 529 C CB -1.266 26.458 27.740 -0.027 0.000 2.010 529 C HN 0.545 nan 8.230 nan 0.000 0.486 530 I N 1.839 122.441 120.570 0.053 0.000 2.118 530 I HA -0.217 3.953 4.170 0.001 0.000 0.241 530 I C 2.119 178.306 176.117 0.116 0.000 1.070 530 I CA 1.781 63.180 61.300 0.165 0.000 1.327 530 I CB -1.511 36.588 38.000 0.165 0.000 1.034 530 I HN 0.416 nan 8.210 nan 0.000 0.405 531 N N 1.358 120.095 118.700 0.063 0.000 2.091 531 N HA -0.188 4.552 4.740 0.001 0.000 0.193 531 N C 1.815 177.336 175.510 0.018 0.000 1.021 531 N CA 1.336 54.410 53.050 0.040 0.000 0.862 531 N CB -0.563 37.937 38.487 0.022 0.000 1.018 531 N HN 0.385 nan 8.380 nan 0.000 0.429 532 L N -0.403 120.815 121.223 -0.008 0.000 2.599 532 L HA 0.137 4.477 4.340 0.001 0.000 0.230 532 L C 1.296 178.101 176.870 -0.109 0.000 1.141 532 L CA 0.284 55.099 54.840 -0.041 0.000 0.877 532 L CB -0.288 41.749 42.059 -0.037 0.000 1.009 532 L HN 0.273 nan 8.230 nan 0.000 0.447 533 G N -0.066 108.627 108.800 -0.178 0.000 2.162 533 G HA2 -0.332 3.629 3.960 0.001 0.000 0.260 533 G HA3 -0.332 3.629 3.960 0.001 0.000 0.260 533 G C 0.538 174.997 174.900 -0.736 0.000 0.976 533 G CA 0.138 44.905 45.100 -0.555 0.000 0.655 533 G HN 0.472 nan 8.290 nan 0.000 0.533 534 A N 0.309 122.920 122.820 -0.348 0.000 3.063 534 A HA 0.610 4.931 4.320 0.001 0.000 0.263 534 A C 1.045 178.544 177.584 -0.142 0.000 1.736 534 A CA 0.821 52.732 52.037 -0.210 0.000 1.408 534 A CB -0.701 18.237 19.000 -0.104 0.000 1.108 534 A HN 0.714 nan 8.150 nan 0.000 0.621 535 H N -0.229 118.827 119.070 -0.023 0.000 2.389 535 H HA -0.133 4.424 4.556 0.001 0.000 0.299 535 H C 2.390 177.687 175.328 -0.052 0.000 1.081 535 H CA 1.614 57.648 56.048 -0.023 0.000 1.345 535 H CB 0.242 30.017 29.762 0.022 0.000 1.393 535 H HN 0.609 nan 8.280 nan 0.000 0.520 536 R N 1.463 122.007 120.500 0.073 0.000 2.070 536 R HA -0.140 4.200 4.340 0.001 0.000 0.232 536 R C 2.212 178.452 176.300 -0.101 0.000 1.138 536 R CA 1.896 58.019 56.100 0.039 0.000 0.936 536 R CB -0.342 29.996 30.300 0.064 0.000 0.839 536 R HN 0.386 nan 8.270 nan 0.000 0.429 537 E N -0.475 119.637 120.200 -0.147 0.000 2.065 537 E HA -0.266 4.084 4.350 0.001 0.000 0.201 537 E C 1.768 178.074 176.600 -0.491 0.000 1.016 537 E CA 1.676 57.890 56.400 -0.310 0.000 0.818 537 E CB -0.308 29.269 29.700 -0.205 0.000 0.749 537 E HN 0.469 nan 8.360 nan 0.000 0.453 538 A N 0.379 122.996 122.820 -0.337 0.000 1.948 538 A HA -0.179 4.141 4.320 0.001 0.000 0.220 538 A C 2.405 179.539 177.584 -0.749 0.000 1.177 538 A CA 1.658 53.370 52.037 -0.541 0.000 0.636 538 A CB -0.677 18.100 19.000 -0.372 0.000 0.815 538 A HN 0.253 nan 8.150 nan 0.000 0.449 539 V N -0.123 119.550 119.914 -0.402 0.000 2.295 539 V HA -0.276 3.845 4.120 0.001 0.000 0.246 539 V C 2.398 178.250 176.094 -0.402 0.000 1.049 539 V CA 2.273 64.364 62.300 -0.348 0.000 1.024 539 V CB -0.860 30.707 31.823 -0.427 0.000 0.648 539 V HN 0.648 nan 8.190 nan 0.000 0.447 540 E N -0.701 119.251 120.200 -0.413 0.000 2.033 540 E HA -0.253 4.097 4.350 0.001 0.000 0.199 540 E C 2.262 178.686 176.600 -0.293 0.000 1.011 540 E CA 1.684 57.878 56.400 -0.344 0.000 0.815 540 E CB -0.284 29.209 29.700 -0.346 0.000 0.755 540 E HN 0.664 nan 8.360 nan 0.000 0.451 541 H N -0.227 118.685 119.070 -0.263 0.000 2.352 541 H HA -0.144 4.413 4.556 0.001 0.000 0.299 541 H C 2.113 177.376 175.328 -0.109 0.000 1.097 541 H CA 1.210 57.127 56.048 -0.219 0.000 1.311 541 H CB -0.622 28.962 29.762 -0.297 0.000 1.377 541 H HN 0.268 nan 8.280 nan 0.000 0.504 542 F N 0.484 120.427 119.950 -0.012 0.000 2.146 542 F HA -0.143 4.384 4.527 0.000 0.000 0.298 542 F C 2.607 178.287 175.800 -0.200 0.000 1.096 542 F CA 0.192 58.144 58.000 -0.079 0.000 1.275 542 F CB -0.256 38.680 39.000 -0.106 0.000 1.008 542 F HN 0.009 nan 8.300 nan 0.000 0.480 543 L N -0.075 121.121 121.223 -0.045 0.000 2.093 543 L HA -0.186 4.154 4.340 0.001 0.000 0.208 543 L C 2.266 179.079 176.870 -0.095 0.000 1.085 543 L CA 1.231 55.983 54.840 -0.145 0.000 0.755 543 L CB -0.590 41.376 42.059 -0.154 0.000 0.904 543 L HN 0.171 nan 8.230 nan 0.000 0.435 544 E N 0.246 120.419 120.200 -0.045 0.000 2.007 544 E HA -0.254 4.096 4.350 0.001 0.000 0.194 544 E C 2.321 178.907 176.600 -0.023 0.000 0.999 544 E CA 1.270 57.660 56.400 -0.016 0.000 0.811 544 E CB -0.244 29.469 29.700 0.022 0.000 0.762 544 E HN 0.467 nan 8.360 nan 0.000 0.450 545 A N 1.444 124.259 122.820 -0.007 0.000 1.884 545 A HA -0.257 4.063 4.320 0.001 0.000 0.219 545 A C 2.268 179.794 177.584 -0.096 0.000 1.197 545 A CA 1.719 53.735 52.037 -0.034 0.000 0.637 545 A CB -1.121 17.880 19.000 0.001 0.000 0.827 545 A HN 0.216 nan 8.150 nan 0.000 0.450 546 L N -0.671 120.452 121.223 -0.167 0.000 2.089 546 L HA -0.288 4.052 4.340 0.001 0.000 0.213 546 L C 2.562 179.369 176.870 -0.104 0.000 1.079 546 L CA 1.758 56.458 54.840 -0.234 0.000 0.758 546 L CB -0.635 41.140 42.059 -0.473 0.000 0.891 546 L HN 0.500 nan 8.230 nan 0.000 0.433 547 N N -0.065 118.593 118.700 -0.069 0.000 2.135 547 N HA -0.126 4.614 4.740 0.001 0.000 0.186 547 N C 1.892 177.396 175.510 -0.009 0.000 1.027 547 N CA 1.334 54.373 53.050 -0.019 0.000 0.849 547 N CB -0.074 38.407 38.487 -0.010 0.000 1.002 547 N HN 0.196 nan 8.380 nan 0.000 0.425 548 M N 0.226 119.816 119.600 -0.017 0.000 2.213 548 M HA -0.169 4.312 4.480 0.001 0.000 0.263 548 M C 1.910 178.205 176.300 -0.009 0.000 1.062 548 M CA 1.305 56.599 55.300 -0.009 0.000 1.105 548 M CB -0.251 32.343 32.600 -0.010 0.000 1.385 548 M HN 0.269 nan 8.290 nan 0.000 0.417 549 Q N -0.436 119.351 119.800 -0.022 0.000 2.079 549 Q HA -0.174 4.167 4.340 0.001 0.000 0.200 549 Q C 2.121 178.127 176.000 0.010 0.000 0.974 549 Q CA 1.280 57.075 55.803 -0.014 0.000 0.840 549 Q CB -0.105 28.612 28.738 -0.035 0.000 0.898 549 Q HN 0.443 nan 8.270 nan 0.000 0.430 550 R N 0.875 121.386 120.500 0.019 0.000 2.115 550 R HA -0.085 4.255 4.340 0.001 0.000 0.226 550 R C 1.780 178.097 176.300 0.027 0.000 1.100 550 R CA 1.125 57.248 56.100 0.038 0.000 0.980 550 R CB 0.169 30.503 30.300 0.058 0.000 0.875 550 R HN 0.014 nan 8.270 nan 0.000 0.445 551 K N -0.036 120.375 120.400 0.018 0.000 2.211 551 K HA -0.010 4.310 4.320 0.001 0.000 0.203 551 K C 0.696 177.304 176.600 0.013 0.000 1.050 551 K CA 0.735 57.031 56.287 0.015 0.000 0.945 551 K CB 0.020 32.526 32.500 0.010 0.000 0.732 551 K HN -0.049 nan 8.250 nan 0.000 0.451 552 S N 2.196 117.904 115.700 0.013 0.000 3.355 552 S HA 0.041 4.511 4.470 0.001 0.000 0.293 552 S C -0.228 174.381 174.600 0.015 0.000 1.197 552 S CA -0.373 57.835 58.200 0.013 0.000 1.117 552 S CB -0.184 63.025 63.200 0.015 0.000 1.587 552 S HN 0.083 nan 8.310 nan 0.000 0.536 553 R N 2.040 122.548 120.500 0.013 0.000 2.615 553 R HA 0.312 4.652 4.340 0.001 0.000 0.270 553 R C 1.084 177.391 176.300 0.013 0.000 1.081 553 R CA -0.241 55.867 56.100 0.014 0.000 1.154 553 R CB 0.026 30.333 30.300 0.012 0.000 1.063 553 R HN 0.573 nan 8.270 nan 0.000 0.519 554 G N 1.688 110.496 108.800 0.014 0.000 2.539 554 G HA2 0.213 4.173 3.960 0.001 0.000 0.258 554 G HA3 0.213 4.173 3.960 0.001 0.000 0.258 554 G C -2.032 172.874 174.900 0.010 0.000 1.202 554 G CA -1.019 44.089 45.100 0.013 0.000 0.851 554 G HN 0.351 nan 8.290 nan 0.000 0.556 555 P HA 0.124 nan 4.420 nan 0.000 0.249 555 P C 0.199 177.503 177.300 0.007 0.000 1.737 555 P CA -0.174 62.930 63.100 0.006 0.000 1.128 555 P CB -0.088 31.615 31.700 0.006 0.000 1.942 556 R N -0.254 120.250 120.500 0.007 0.000 4.024 556 R HA -0.181 4.160 4.340 0.001 0.000 0.391 556 R C 1.036 177.341 176.300 0.008 0.000 1.157 556 R CA 1.228 57.332 56.100 0.007 0.000 1.215 556 R CB -2.526 27.778 30.300 0.006 0.000 1.738 556 R HN 0.546 nan 8.270 nan 0.000 0.566 557 G N 1.054 109.859 108.800 0.009 0.000 3.515 557 G HA2 0.217 4.178 3.960 0.001 0.000 0.288 557 G HA3 0.217 4.178 3.960 0.001 0.000 0.288 557 G C -0.041 174.865 174.900 0.010 0.000 1.012 557 G CA -0.439 44.666 45.100 0.009 0.000 1.689 557 G HN 0.202 nan 8.290 nan 0.000 0.572 558 E N 0.537 120.743 120.200 0.011 0.000 2.849 558 E HA 0.593 4.943 4.350 0.001 0.000 0.257 558 E C 0.824 177.433 176.600 0.015 0.000 1.306 558 E CA 0.432 56.840 56.400 0.012 0.000 1.058 558 E CB 1.097 30.804 29.700 0.012 0.000 1.249 558 E HN 0.667 nan 8.360 nan 0.000 0.638 559 G N -1.517 107.294 108.800 0.018 0.000 2.730 559 G HA2 0.107 4.067 3.960 0.001 0.000 0.686 559 G HA3 0.107 4.067 3.960 0.001 0.000 0.686 559 G C -0.407 174.508 174.900 0.025 0.000 1.343 559 G CA -0.549 44.566 45.100 0.024 0.000 0.826 559 G HN 0.700 nan 8.290 nan 0.000 0.582 560 G N -0.679 108.141 108.800 0.033 0.000 2.707 560 G HA2 0.869 4.830 3.960 0.001 0.000 0.299 560 G HA3 0.869 4.830 3.960 0.001 0.000 0.299 560 G C 0.090 175.015 174.900 0.041 0.000 1.442 560 G CA 0.603 45.723 45.100 0.032 0.000 1.009 560 G HN 2.140 nan 8.290 nan 0.000 0.515 561 A N 3.306 126.146 122.820 0.033 0.000 2.522 561 A HA 0.569 4.890 4.320 0.001 0.000 0.256 561 A C 0.564 178.175 177.584 0.046 0.000 1.086 561 A CA 0.304 52.364 52.037 0.038 0.000 0.763 561 A CB -0.115 18.899 19.000 0.023 0.000 1.024 561 A HN 0.671 nan 8.150 nan 0.000 0.502 562 M N 2.142 121.799 119.600 0.094 0.000 2.423 562 M HA 0.270 4.750 4.480 0.001 0.000 0.335 562 M C 0.213 176.588 176.300 0.126 0.000 1.177 562 M CA -0.185 55.186 55.300 0.119 0.000 1.038 562 M CB 1.849 34.623 32.600 0.290 0.000 1.641 562 M HN 0.623 nan 8.290 nan 0.000 0.455 563 S N 1.877 117.590 115.700 0.021 0.000 2.505 563 S HA 0.063 4.534 4.470 0.001 0.000 0.276 563 S C 0.911 175.574 174.600 0.106 0.000 1.274 563 S CA -0.648 57.544 58.200 -0.013 0.000 1.053 563 S CB 0.743 63.835 63.200 -0.180 0.000 0.919 563 S HN 0.579 nan 8.310 nan 0.000 0.490 564 E N 3.031 123.293 120.200 0.103 0.000 2.118 564 E HA -0.195 4.155 4.350 0.001 0.000 0.195 564 E C 1.710 178.343 176.600 0.055 0.000 0.992 564 E CA 1.021 57.490 56.400 0.116 0.000 0.804 564 E CB -0.319 29.399 29.700 0.030 0.000 0.741 564 E HN 0.670 nan 8.360 nan 0.000 0.458 565 N N 0.509 119.181 118.700 -0.046 0.000 2.036 565 N HA -0.138 4.602 4.740 0.001 0.000 0.195 565 N C 1.859 177.263 175.510 -0.176 0.000 1.037 565 N CA 1.420 54.409 53.050 -0.102 0.000 0.855 565 N CB -0.146 38.241 38.487 -0.167 0.000 1.033 565 N HN 0.122 nan 8.380 nan 0.000 0.423 566 I N -1.288 119.057 120.570 -0.374 0.000 2.286 566 I HA -0.199 3.972 4.170 0.001 0.000 0.245 566 I C 1.638 177.544 176.117 -0.352 0.000 1.104 566 I CA 0.691 61.674 61.300 -0.527 0.000 1.397 566 I CB -0.337 37.237 38.000 -0.710 0.000 1.072 566 I HN 0.298 nan 8.210 nan 0.000 0.417 567 W N 1.509 122.691 121.300 -0.196 0.000 2.302 567 W HA -0.320 4.340 4.660 0.000 0.000 0.320 567 W C 3.190 179.631 176.519 -0.131 0.000 1.241 567 W CA 2.071 59.337 57.345 -0.132 0.000 1.264 567 W CB -0.717 28.686 29.460 -0.096 0.000 1.154 567 W HN 0.216 nan 8.180 nan 0.000 0.483 568 S N -0.987 114.777 115.700 0.107 0.000 2.382 568 S HA -0.191 4.279 4.470 0.001 0.000 0.228 568 S C 1.603 176.174 174.600 -0.048 0.000 1.027 568 S CA 1.841 60.057 58.200 0.027 0.000 0.991 568 S CB -1.159 62.046 63.200 0.008 0.000 0.823 568 S HN 0.226 nan 8.310 nan 0.000 0.469 569 T N 2.989 117.468 114.554 -0.126 0.000 2.788 569 T HA -0.005 4.345 4.350 0.001 0.000 0.268 569 T C 1.677 176.215 174.700 -0.270 0.000 1.044 569 T CA 1.315 63.271 62.100 -0.240 0.000 1.139 569 T CB -0.659 67.952 68.868 -0.429 0.000 0.867 569 T HN 0.321 nan 8.240 nan 0.000 0.454 570 L N 1.528 122.577 121.223 -0.290 0.000 1.989 570 L HA -0.064 4.276 4.340 0.001 0.000 0.211 570 L C 2.505 179.384 176.870 0.016 0.000 1.071 570 L CA 1.762 56.562 54.840 -0.067 0.000 0.749 570 L CB -0.540 41.456 42.059 -0.105 0.000 0.890 570 L HN -0.004 nan 8.230 nan 0.000 0.431 571 R N -0.639 119.868 120.500 0.011 0.000 2.133 571 R HA -0.209 4.131 4.340 0.001 0.000 0.247 571 R C 2.285 178.525 176.300 -0.100 0.000 1.151 571 R CA 1.988 58.067 56.100 -0.035 0.000 0.971 571 R CB -1.010 29.269 30.300 -0.036 0.000 0.866 571 R HN 0.397 nan 8.270 nan 0.000 0.447 572 L N 0.166 121.349 121.223 -0.066 0.000 2.109 572 L HA -0.053 4.288 4.340 0.001 0.000 0.207 572 L C 2.282 179.118 176.870 -0.055 0.000 1.086 572 L CA 1.680 56.477 54.840 -0.072 0.000 0.760 572 L CB -0.345 41.684 42.059 -0.050 0.000 0.910 572 L HN 0.106 nan 8.230 nan 0.000 0.437 573 A N -0.955 121.875 122.820 0.016 0.000 1.930 573 A HA -0.065 4.256 4.320 0.001 0.000 0.215 573 A C 2.168 179.772 177.584 0.033 0.000 1.176 573 A CA 1.241 53.311 52.037 0.055 0.000 0.632 573 A CB -0.674 18.474 19.000 0.247 0.000 0.819 573 A HN 0.422 nan 8.150 nan 0.000 0.445 574 L N -0.050 121.204 121.223 0.051 0.000 2.131 574 L HA -0.174 4.167 4.340 0.001 0.000 0.210 574 L C 2.806 179.782 176.870 0.176 0.000 1.092 574 L CA 1.360 56.291 54.840 0.152 0.000 0.759 574 L CB -0.426 41.740 42.059 0.178 0.000 0.903 574 L HN 0.339 nan 8.230 nan 0.000 0.435 575 S N 0.035 115.697 115.700 -0.063 0.000 2.343 575 S HA -0.187 4.283 4.470 0.001 0.000 0.219 575 S C 1.912 176.522 174.600 0.017 0.000 1.033 575 S CA 1.573 59.745 58.200 -0.046 0.000 1.014 575 S CB -0.331 62.778 63.200 -0.152 0.000 0.915 575 S HN 0.310 nan 8.310 nan 0.000 0.435 576 M N 0.698 120.233 119.600 -0.108 0.000 2.358 576 M HA 0.006 4.487 4.480 0.001 0.000 0.264 576 M C 2.030 178.227 176.300 -0.172 0.000 1.064 576 M CA 0.753 55.900 55.300 -0.255 0.000 1.093 576 M CB -0.402 31.798 32.600 -0.667 0.000 1.401 576 M HN 0.195 nan 8.290 nan 0.000 0.440 577 L N 0.031 121.247 121.223 -0.012 0.000 2.072 577 L HA 0.102 4.442 4.340 0.001 0.000 0.205 577 L C 1.533 178.495 176.870 0.153 0.000 1.079 577 L CA 2.092 57.014 54.840 0.138 0.000 0.752 577 L CB -0.532 41.650 42.059 0.205 0.000 0.906 577 L HN 0.486 nan 8.230 nan 0.000 0.436 578 G N -0.970 107.948 108.800 0.197 0.000 2.141 578 G HA2 -0.348 3.613 3.960 0.001 0.000 0.231 578 G HA3 -0.348 3.613 3.960 0.001 0.000 0.231 578 G C 0.468 175.422 174.900 0.090 0.000 0.984 578 G CA 0.345 45.551 45.100 0.177 0.000 0.660 578 G HN 0.412 nan 8.290 nan 0.000 0.525 579 Q N 1.229 121.118 119.800 0.149 0.000 2.962 579 Q HA 0.569 4.909 4.340 0.001 0.000 0.251 579 Q C 1.755 177.546 176.000 -0.349 0.000 1.380 579 Q CA 0.730 56.544 55.803 0.018 0.000 0.926 579 Q CB -0.352 28.509 28.738 0.205 0.000 1.704 579 Q HN 0.334 nan 8.270 nan 0.000 0.563 580 S N 1.452 116.786 115.700 -0.610 0.000 2.420 580 S HA -0.197 4.274 4.470 0.001 0.000 0.237 580 S C 0.969 175.190 174.600 -0.631 0.000 1.023 580 S CA 1.545 59.106 58.200 -1.066 0.000 0.991 580 S CB -0.134 62.760 63.200 -0.510 0.000 0.792 580 S HN 0.843 nan 8.310 nan 0.000 0.488 581 D N 1.159 121.381 120.400 -0.296 0.000 2.347 581 D HA 0.157 4.798 4.640 0.001 0.000 0.213 581 D C 1.321 177.605 176.300 -0.026 0.000 0.985 581 D CA 0.741 54.663 54.000 -0.131 0.000 0.879 581 D CB -0.293 40.450 40.800 -0.095 0.000 0.919 581 D HN 0.398 nan 8.370 nan 0.000 0.526 582 A N -0.511 122.329 122.820 0.034 0.000 2.195 582 A HA 0.059 4.379 4.320 0.001 0.000 0.210 582 A C 1.300 179.101 177.584 0.361 0.000 1.165 582 A CA -0.074 52.105 52.037 0.237 0.000 0.806 582 A CB -0.557 18.691 19.000 0.412 0.000 0.847 582 A HN 0.084 nan 8.150 nan 0.000 0.482 583 Y N 0.295 120.661 120.300 0.110 0.000 2.145 583 Y HA -0.110 4.440 4.550 0.000 0.000 0.286 583 Y C 2.700 178.645 175.900 0.075 0.000 1.145 583 Y CA 0.688 58.842 58.100 0.090 0.000 1.148 583 Y CB -1.449 37.049 38.460 0.063 0.000 0.981 583 Y HN 0.316 nan 8.280 nan 0.000 0.507 584 G N -0.401 108.533 108.800 0.222 0.000 2.442 584 G HA2 -0.207 3.753 3.960 0.001 0.000 0.219 584 G HA3 -0.207 3.753 3.960 0.001 0.000 0.219 584 G C 1.964 176.925 174.900 0.103 0.000 1.141 584 G CA 1.294 46.469 45.100 0.126 0.000 0.763 584 G HN 0.476 nan 8.290 nan 0.000 0.554 585 A N 1.268 124.169 122.820 0.134 0.000 1.877 585 A HA 0.254 4.574 4.320 0.001 0.000 0.216 585 A C 2.831 180.505 177.584 0.149 0.000 1.186 585 A CA 2.316 54.433 52.037 0.134 0.000 0.620 585 A CB -0.875 18.230 19.000 0.176 0.000 0.822 585 A HN 0.841 nan 8.150 nan 0.000 0.443 586 A N -0.233 122.717 122.820 0.218 0.000 1.972 586 A HA -0.162 4.159 4.320 0.001 0.000 0.219 586 A C 1.704 179.336 177.584 0.079 0.000 1.169 586 A CA 1.940 54.139 52.037 0.270 0.000 0.635 586 A CB -0.520 18.641 19.000 0.269 0.000 0.810 586 A HN 0.475 nan 8.150 nan 0.000 0.446 587 D N 0.057 120.478 120.400 0.035 0.000 2.103 587 D HA 0.024 4.664 4.640 0.001 0.000 0.199 587 D C 2.146 178.376 176.300 -0.116 0.000 0.978 587 D CA 1.494 55.471 54.000 -0.038 0.000 0.829 587 D CB -0.445 40.353 40.800 -0.002 0.000 0.981 587 D HN 0.400 nan 8.370 nan 0.000 0.464 588 A N 0.076 122.844 122.820 -0.088 0.000 2.172 588 A HA -0.037 4.284 4.320 0.001 0.000 0.216 588 A C 0.761 178.192 177.584 -0.256 0.000 1.154 588 A CA 0.591 52.553 52.037 -0.125 0.000 0.701 588 A CB -0.269 18.698 19.000 -0.053 0.000 0.789 588 A HN 0.126 nan 8.150 nan 0.000 0.465 589 R N -1.047 119.192 120.500 -0.435 0.000 3.418 589 R HA -0.129 4.211 4.340 0.001 0.000 0.274 589 R C -0.755 175.343 176.300 -0.337 0.000 1.108 589 R CA 0.863 56.377 56.100 -0.977 0.000 0.741 589 R CB -2.398 27.260 30.300 -1.071 0.000 1.223 589 R HN 0.509 nan 8.270 nan 0.000 0.434 590 D N 0.164 120.560 120.400 -0.007 0.000 2.639 590 D HA 0.094 4.734 4.640 0.001 0.000 0.233 590 D C 1.135 177.592 176.300 0.262 0.000 1.161 590 D CA -0.351 53.718 54.000 0.116 0.000 1.003 590 D CB 0.302 41.148 40.800 0.077 0.000 1.034 590 D HN 0.181 nan 8.370 nan 0.000 0.514 591 L N 1.993 123.451 121.223 0.392 0.000 2.081 591 L HA -0.176 4.165 4.340 0.001 0.000 0.212 591 L C 1.902 178.883 176.870 0.185 0.000 1.080 591 L CA 1.726 56.770 54.840 0.340 0.000 0.754 591 L CB -0.657 41.588 42.059 0.309 0.000 0.893 591 L HN 0.163 nan 8.230 nan 0.000 0.433 592 S N -0.885 114.904 115.700 0.148 0.000 2.378 592 S HA -0.243 4.228 4.470 0.001 0.000 0.221 592 S C 1.792 176.458 174.600 0.110 0.000 1.037 592 S CA 2.099 60.361 58.200 0.104 0.000 1.069 592 S CB -0.757 62.491 63.200 0.079 0.000 1.006 592 S HN 0.652 nan 8.310 nan 0.000 0.423 593 T N 3.218 117.839 114.554 0.111 0.000 2.620 593 T HA -0.169 4.181 4.350 0.001 0.000 0.267 593 T C 1.780 176.572 174.700 0.154 0.000 1.044 593 T CA 1.613 63.779 62.100 0.111 0.000 1.161 593 T CB -0.760 68.172 68.868 0.106 0.000 0.862 593 T HN 0.228 nan 8.240 nan 0.000 0.438 594 L N 0.169 121.512 121.223 0.199 0.000 2.042 594 L HA -0.097 4.244 4.340 0.001 0.000 0.210 594 L C 2.588 179.624 176.870 0.278 0.000 1.076 594 L CA 1.203 56.207 54.840 0.273 0.000 0.749 594 L CB -0.661 41.539 42.059 0.234 0.000 0.893 594 L HN 0.259 nan 8.230 nan 0.000 0.432 595 L N -0.915 120.409 121.223 0.169 0.000 2.083 595 L HA -0.208 4.133 4.340 0.001 0.000 0.209 595 L C 2.598 179.550 176.870 0.137 0.000 1.083 595 L CA 1.504 56.425 54.840 0.135 0.000 0.752 595 L CB -0.811 41.298 42.059 0.083 0.000 0.899 595 L HN 0.294 nan 8.230 nan 0.000 0.433 596 T N -0.606 114.015 114.554 0.112 0.000 2.737 596 T HA -0.166 4.185 4.350 0.001 0.000 0.265 596 T C 1.927 176.659 174.700 0.053 0.000 1.038 596 T CA 1.270 63.413 62.100 0.071 0.000 1.144 596 T CB -0.182 68.717 68.868 0.051 0.000 0.866 596 T HN 0.208 nan 8.240 nan 0.000 0.434 597 M N 0.069 119.708 119.600 0.065 0.000 2.144 597 M HA -0.050 4.431 4.480 0.001 0.000 0.260 597 M C 1.179 177.334 176.300 -0.242 0.000 1.067 597 M CA 1.761 57.014 55.300 -0.079 0.000 1.095 597 M CB -0.361 32.201 32.600 -0.064 0.000 1.365 597 M HN 0.197 nan 8.290 nan 0.000 0.406 598 F N -0.532 119.425 119.950 0.012 0.000 2.664 598 F HA 0.313 4.840 4.527 0.000 0.000 0.303 598 F C 1.462 177.256 175.800 -0.010 0.000 1.092 598 F CA 0.229 58.229 58.000 -0.000 0.000 1.305 598 F CB 0.066 39.065 39.000 -0.002 0.000 1.054 598 F HN 0.280 nan 8.300 nan 0.000 0.565 599 G N 1.383 110.239 108.800 0.093 0.000 2.246 599 G HA2 -0.265 3.695 3.960 0.001 0.000 0.273 599 G HA3 -0.265 3.695 3.960 0.001 0.000 0.273 599 G C -0.428 174.507 174.900 0.058 0.000 1.055 599 G CA -0.304 44.825 45.100 0.049 0.000 0.851 599 G HN 0.131 nan 8.290 nan 0.000 0.500 600 L N 1.078 122.347 121.223 0.077 0.000 2.331 600 L HA 0.660 5.001 4.340 0.001 0.000 0.275 600 L C -1.558 175.336 176.870 0.041 0.000 1.022 600 L CA -2.559 52.314 54.840 0.054 0.000 0.812 600 L CB 1.279 43.373 42.059 0.058 0.000 1.257 600 L HN 0.020 nan 8.230 nan 0.000 0.435 601 P HA 0.134 nan 4.420 nan 0.000 0.276 601 P C -0.420 176.895 177.300 0.026 0.000 1.243 601 P CA -0.586 62.528 63.100 0.023 0.000 0.768 601 P CB 0.826 32.536 31.700 0.016 0.000 0.856 602 Q N 0.000 119.817 119.800 0.028 0.000 2.315 602 Q HA 0.000 4.341 4.340 0.001 0.000 0.214 602 Q CA 0.000 55.821 55.803 0.030 0.000 1.022 602 Q CB 0.000 28.756 28.738 0.029 0.000 1.108 602 Q HN 0.000 nan 8.270 nan 0.000 0.481