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 1svm_1_E DATA FIRST_RESID 266 DATA SEQUENCE KQVSWKLVTE YAMETKCDDV LLLLGMYLEF QYSFEMCLKC IKKEQPSHYK DATA SEQUENCE YHEKHYANAA IFADSKNQKT ICQQAVDTVL AKKRVDSLQL TREQMLTNRF DATA SEQUENCE NDLLDRMDIM FGSTGSADIE EWMAGVAWLH CLLPKMDSVV YDFLKCMVYN DATA SEQUENCE IPKKRYWLFK GPIDSGKTTL AAALLELCGG KALNVNLPLD RLNFELGVAI DATA SEQUENCE DQFLVVFEDV KGTGGESRDL PSGQGINNLD NLRDYLDGSV KVNLEKKHLN DATA SEQUENCE KRTQIFPPGI VTMNEYSVPK TLQARFVKQI DFRPKDYLKH CLERSEFLLE DATA SEQUENCE KRIIQSGIAL LLMLIWYRPV AEFAQSIQSR IVEWKERLDK EFSLSVYQKM DATA SEQUENCE KFNVAMGIGV LD 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 266 K HA 0.000 nan 4.320 nan 0.000 0.191 266 K C 0.000 176.629 176.600 0.049 0.000 0.988 266 K CA 0.000 56.309 56.287 0.036 0.000 0.838 266 K CB 0.000 32.517 32.500 0.027 0.000 1.064 267 Q N 1.960 121.799 119.800 0.065 0.000 2.337 267 Q HA 0.385 4.725 4.340 -0.000 0.000 0.266 267 Q C -0.903 175.177 176.000 0.133 0.000 1.023 267 Q CA -0.759 55.100 55.803 0.092 0.000 0.829 267 Q CB 2.298 31.088 28.738 0.087 0.000 1.306 267 Q HN 0.208 nan 8.270 nan 0.000 0.449 268 V N 3.341 123.359 119.914 0.174 0.000 2.788 268 V HA 0.165 4.285 4.120 -0.000 0.000 0.307 268 V C -0.336 175.939 176.094 0.300 0.000 1.069 268 V CA 0.646 63.082 62.300 0.227 0.000 1.173 268 V CB 1.193 33.159 31.823 0.239 0.000 0.925 268 V HN 0.844 nan 8.190 nan 0.000 0.492 269 S N 6.603 122.457 115.700 0.257 0.000 2.410 269 S HA 0.232 4.702 4.470 -0.000 0.000 0.304 269 S C 0.292 175.078 174.600 0.309 0.000 1.095 269 S CA -0.542 57.817 58.200 0.265 0.000 1.089 269 S CB 0.190 63.497 63.200 0.178 0.000 0.968 269 S HN 0.783 nan 8.310 nan 0.000 0.480 270 W N 4.201 125.523 121.300 0.038 0.000 2.388 270 W HA 0.078 4.738 4.660 -0.000 0.000 0.294 270 W C 2.305 178.821 176.519 -0.005 0.000 1.212 270 W CA 0.463 57.815 57.345 0.011 0.000 1.271 270 W CB -0.385 29.084 29.460 0.015 0.000 1.126 270 W HN 0.638 nan 8.180 nan 0.000 0.535 271 K N -0.084 120.469 120.400 0.255 0.000 2.103 271 K HA -0.203 4.117 4.320 -0.000 0.000 0.207 271 K C 1.873 178.555 176.600 0.136 0.000 1.048 271 K CA 1.329 57.709 56.287 0.155 0.000 0.930 271 K CB -0.387 32.181 32.500 0.115 0.000 0.716 271 K HN 0.004 nan 8.250 nan 0.000 0.444 272 L N 0.236 121.554 121.223 0.158 0.000 2.093 272 L HA -0.153 4.186 4.340 -0.000 0.000 0.208 272 L C 2.137 179.132 176.870 0.207 0.000 1.085 272 L CA 1.137 56.116 54.840 0.232 0.000 0.755 272 L CB -0.461 41.759 42.059 0.268 0.000 0.904 272 L HN 0.000 nan 8.230 nan 0.000 0.435 273 V N -1.391 118.489 119.914 -0.055 0.000 2.358 273 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 273 V C 2.403 178.402 176.094 -0.157 0.000 1.047 273 V CA 2.078 64.127 62.300 -0.418 0.000 1.035 273 V CB -0.916 30.485 31.823 -0.703 0.000 0.658 273 V HN 0.456 nan 8.190 nan 0.000 0.452 274 T N -0.400 114.125 114.554 -0.048 0.000 2.746 274 T HA -0.200 4.150 4.350 -0.000 0.000 0.267 274 T C 1.833 176.538 174.700 0.008 0.000 1.039 274 T CA 1.670 63.764 62.100 -0.011 0.000 1.142 274 T CB -0.212 68.682 68.868 0.043 0.000 0.866 274 T HN 0.585 nan 8.240 nan 0.000 0.444 275 E N -0.139 120.105 120.200 0.074 0.000 2.051 275 E HA -0.160 4.190 4.350 -0.000 0.000 0.192 275 E C 1.945 178.588 176.600 0.072 0.000 0.991 275 E CA 1.157 57.619 56.400 0.103 0.000 0.799 275 E CB -0.248 29.565 29.700 0.188 0.000 0.748 275 E HN 0.563 nan 8.360 nan 0.000 0.449 276 Y N 1.215 121.486 120.300 -0.050 0.000 2.165 276 Y HA -0.246 4.304 4.550 -0.000 0.000 0.286 276 Y C 2.136 177.890 175.900 -0.244 0.000 1.155 276 Y CA 1.455 59.407 58.100 -0.246 0.000 1.164 276 Y CB -0.507 37.723 38.460 -0.384 0.000 0.978 276 Y HN -0.007 nan 8.280 nan 0.000 0.513 277 A N 0.320 122.959 122.820 -0.302 0.000 1.902 277 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 277 A C 2.244 179.662 177.584 -0.275 0.000 1.181 277 A CA 1.973 53.813 52.037 -0.328 0.000 0.623 277 A CB -0.671 18.233 19.000 -0.161 0.000 0.818 277 A HN 0.505 nan 8.150 nan 0.000 0.443 278 M N -0.474 119.023 119.600 -0.171 0.000 2.132 278 M HA -0.091 4.389 4.480 -0.000 0.000 0.263 278 M C 1.945 178.167 176.300 -0.129 0.000 1.065 278 M CA 1.243 56.477 55.300 -0.111 0.000 1.122 278 M CB -1.254 31.319 32.600 -0.044 0.000 1.365 278 M HN 0.397 nan 8.290 nan 0.000 0.411 279 E N -0.067 120.039 120.200 -0.157 0.000 2.110 279 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 279 E C 1.849 178.333 176.600 -0.192 0.000 0.988 279 E CA 1.908 58.244 56.400 -0.107 0.000 0.804 279 E CB -0.419 29.276 29.700 -0.009 0.000 0.745 279 E HN 0.610 nan 8.360 nan 0.000 0.458 280 T N -2.030 112.270 114.554 -0.422 0.000 3.086 280 T HA 0.153 4.503 4.350 -0.000 0.000 0.250 280 T C 0.515 175.071 174.700 -0.240 0.000 1.074 280 T CA -0.272 61.602 62.100 -0.376 0.000 0.988 280 T CB -0.030 68.450 68.868 -0.647 0.000 0.988 280 T HN 0.030 nan 8.240 nan 0.000 0.530 281 K N -0.104 120.176 120.400 -0.199 0.000 3.077 281 K HA -0.170 4.150 4.320 -0.000 0.000 0.264 281 K C -0.121 176.401 176.600 -0.130 0.000 1.008 281 K CA 0.265 56.474 56.287 -0.129 0.000 0.740 281 K CB -2.546 29.905 32.500 -0.082 0.000 1.273 281 K HN 0.603 nan 8.250 nan 0.000 0.477 282 C N 2.603 121.797 119.300 -0.177 0.000 2.349 282 C HA 0.189 4.649 4.460 -0.000 0.000 0.348 282 C C 0.763 175.695 174.990 -0.096 0.000 1.223 282 C CA -0.103 58.831 59.018 -0.140 0.000 1.746 282 C CB -0.237 27.392 27.740 -0.184 0.000 2.360 282 C HN 0.524 nan 8.230 nan 0.000 0.533 283 D N 2.736 123.098 120.400 -0.063 0.000 2.670 283 D HA 0.174 4.814 4.640 -0.000 0.000 0.255 283 D C -0.404 175.879 176.300 -0.029 0.000 1.286 283 D CA -0.011 53.963 54.000 -0.043 0.000 0.830 283 D CB -0.109 40.672 40.800 -0.032 0.000 1.065 283 D HN 0.520 nan 8.370 nan 0.000 0.486 284 D N 0.631 121.012 120.400 -0.032 0.000 2.462 284 D HA 0.100 4.740 4.640 -0.000 0.000 0.245 284 D C 1.269 177.558 176.300 -0.019 0.000 1.122 284 D CA -0.681 53.308 54.000 -0.018 0.000 0.864 284 D CB 2.128 42.919 40.800 -0.014 0.000 1.098 284 D HN -0.159 nan 8.370 nan 0.000 0.541 285 V N 4.351 124.256 119.914 -0.014 0.000 2.287 285 V HA -0.248 3.872 4.120 -0.000 0.000 0.248 285 V C 2.528 178.619 176.094 -0.005 0.000 1.053 285 V CA 1.446 63.737 62.300 -0.014 0.000 1.027 285 V CB -0.449 31.368 31.823 -0.010 0.000 0.646 285 V HN 0.628 nan 8.190 nan 0.000 0.447 286 L N -1.009 120.215 121.223 0.001 0.000 2.093 286 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 286 L C 2.425 179.299 176.870 0.007 0.000 1.085 286 L CA 1.031 55.875 54.840 0.008 0.000 0.755 286 L CB -0.506 41.558 42.059 0.009 0.000 0.904 286 L HN 0.347 nan 8.230 nan 0.000 0.435 287 L N -0.137 121.087 121.223 0.001 0.000 2.027 287 L HA -0.200 4.140 4.340 -0.000 0.000 0.206 287 L C 2.306 179.180 176.870 0.007 0.000 1.074 287 L CA 1.581 56.421 54.840 0.001 0.000 0.745 287 L CB -0.541 41.515 42.059 -0.005 0.000 0.898 287 L HN 0.115 nan 8.230 nan 0.000 0.433 288 L N -0.826 120.398 121.223 0.003 0.000 2.012 288 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 288 L C 2.355 179.228 176.870 0.006 0.000 1.073 288 L CA 2.006 56.858 54.840 0.020 0.000 0.748 288 L CB -1.001 41.043 42.059 -0.025 0.000 0.891 288 L HN 0.403 nan 8.230 nan 0.000 0.431 289 L N -0.059 121.169 121.223 0.008 0.000 2.012 289 L HA -0.056 4.284 4.340 -0.000 0.000 0.210 289 L C 2.315 179.210 176.870 0.041 0.000 1.073 289 L CA 2.253 57.127 54.840 0.057 0.000 0.748 289 L CB -1.538 40.567 42.059 0.076 0.000 0.891 289 L HN 0.319 nan 8.230 nan 0.000 0.431 290 G N -0.808 107.998 108.800 0.010 0.000 2.421 290 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.216 290 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.216 290 G C 1.536 176.381 174.900 -0.093 0.000 1.171 290 G CA 1.064 46.156 45.100 -0.014 0.000 0.775 290 G HN 0.433 nan 8.290 nan 0.000 0.543 291 M N -1.113 118.416 119.600 -0.118 0.000 2.132 291 M HA 0.020 4.500 4.480 -0.000 0.000 0.263 291 M C 2.423 178.263 176.300 -0.766 0.000 1.065 291 M CA 1.101 56.226 55.300 -0.292 0.000 1.122 291 M CB -0.321 32.245 32.600 -0.057 0.000 1.365 291 M HN 0.260 nan 8.290 nan 0.000 0.411 292 Y N 1.036 120.930 120.300 -0.677 0.000 2.293 292 Y HA -0.116 4.434 4.550 -0.000 0.000 0.291 292 Y C 1.989 177.550 175.900 -0.565 0.000 1.137 292 Y CA 1.338 58.941 58.100 -0.828 0.000 1.202 292 Y CB -0.154 37.868 38.460 -0.729 0.000 0.990 292 Y HN 0.109 nan 8.280 nan 0.000 0.537 293 L N -0.404 120.699 121.223 -0.201 0.000 2.201 293 L HA -0.190 4.150 4.340 -0.000 0.000 0.212 293 L C 2.005 178.793 176.870 -0.137 0.000 1.105 293 L CA 1.233 56.042 54.840 -0.052 0.000 0.775 293 L CB -0.405 41.697 42.059 0.072 0.000 0.913 293 L HN 0.267 nan 8.230 nan 0.000 0.440 294 E N -0.202 119.837 120.200 -0.268 0.000 2.268 294 E HA -0.170 4.180 4.350 -0.000 0.000 0.195 294 E C 1.733 178.273 176.600 -0.101 0.000 0.995 294 E CA 0.876 57.226 56.400 -0.083 0.000 0.836 294 E CB -0.004 29.617 29.700 -0.133 0.000 0.763 294 E HN 0.416 nan 8.360 nan 0.000 0.491 295 F N 1.552 121.317 119.950 -0.308 0.000 2.748 295 F HA -0.041 4.486 4.527 -0.000 0.000 0.299 295 F C 2.400 178.218 175.800 0.031 0.000 1.154 295 F CA 0.525 58.322 58.000 -0.338 0.000 1.446 295 F CB -0.680 38.019 39.000 -0.503 0.000 1.112 295 F HN 0.086 nan 8.300 nan 0.000 0.584 296 Q N -0.385 119.426 119.800 0.018 0.000 2.297 296 Q HA -0.144 4.196 4.340 -0.000 0.000 0.204 296 Q C -0.153 175.875 176.000 0.046 0.000 0.962 296 Q CA 0.928 56.678 55.803 -0.088 0.000 0.879 296 Q CB -0.542 28.003 28.738 -0.321 0.000 0.947 296 Q HN 0.295 nan 8.270 nan 0.000 0.462 297 Y N 2.453 122.999 120.300 0.410 0.000 2.301 297 Y HA 0.148 4.698 4.550 -0.000 0.000 0.328 297 Y C 0.788 176.968 175.900 0.467 0.000 1.242 297 Y CA -0.694 57.640 58.100 0.391 0.000 1.323 297 Y CB 0.856 39.474 38.460 0.262 0.000 1.266 297 Y HN 0.087 nan 8.280 nan 0.000 0.527 298 S N 2.102 117.993 115.700 0.318 0.000 2.552 298 S HA -0.036 4.434 4.470 -0.000 0.000 0.289 298 S C 0.417 174.902 174.600 -0.192 0.000 1.304 298 S CA -0.453 57.610 58.200 -0.228 0.000 1.063 298 S CB -0.236 62.824 63.200 -0.233 0.000 0.848 298 S HN 0.675 nan 8.310 nan 0.000 0.499 299 F N 0.828 120.466 119.950 -0.521 0.000 2.619 299 F HA 0.290 4.817 4.527 -0.000 0.000 0.293 299 F C 1.789 177.427 175.800 -0.270 0.000 1.119 299 F CA -0.169 57.507 58.000 -0.540 0.000 1.445 299 F CB -0.726 37.694 39.000 -0.967 0.000 1.119 299 F HN 0.479 nan 8.300 nan 0.000 0.573 300 E N 1.929 121.578 120.200 -0.918 0.000 2.149 300 E HA -0.268 4.082 4.350 -0.000 0.000 0.215 300 E C 1.376 177.880 176.600 -0.159 0.000 1.055 300 E CA 2.223 58.313 56.400 -0.517 0.000 0.870 300 E CB -0.682 28.716 29.700 -0.504 0.000 0.764 300 E HN 0.571 nan 8.360 nan 0.000 0.463 301 M N -0.049 119.481 119.600 -0.118 0.000 2.785 301 M HA 0.169 4.649 4.480 -0.000 0.000 0.374 301 M C -0.257 176.057 176.300 0.024 0.000 1.221 301 M CA -0.446 54.834 55.300 -0.034 0.000 0.912 301 M CB 1.211 33.785 32.600 -0.044 0.000 1.355 301 M HN -0.055 nan 8.290 nan 0.000 0.513 302 C N 2.136 121.483 119.300 0.079 0.000 2.624 302 C HA 0.160 4.620 4.460 -0.000 0.000 0.397 302 C C 1.798 176.876 174.990 0.146 0.000 1.331 302 C CA -0.283 58.841 59.018 0.176 0.000 1.716 302 C CB -0.636 27.323 27.740 0.366 0.000 2.452 302 C HN 0.761 nan 8.230 nan 0.000 0.586 303 L N 4.744 126.023 121.223 0.094 0.000 2.217 303 L HA -0.068 4.272 4.340 -0.000 0.000 0.211 303 L C 2.550 179.460 176.870 0.067 0.000 1.107 303 L CA 1.262 56.136 54.840 0.058 0.000 0.783 303 L CB -0.515 41.558 42.059 0.023 0.000 0.919 303 L HN 0.748 nan 8.230 nan 0.000 0.442 304 K N -0.534 119.913 120.400 0.078 0.000 2.097 304 K HA -0.157 4.163 4.320 -0.000 0.000 0.206 304 K C 2.223 178.940 176.600 0.196 0.000 1.049 304 K CA 1.456 57.760 56.287 0.028 0.000 0.933 304 K CB -0.288 32.061 32.500 -0.252 0.000 0.717 304 K HN 0.317 nan 8.250 nan 0.000 0.442 305 C N 0.784 120.277 119.300 0.321 0.000 2.508 305 C HA -0.030 4.430 4.460 -0.000 0.000 0.280 305 C C 2.633 177.685 174.990 0.105 0.000 1.262 305 C CA 0.440 59.660 59.018 0.336 0.000 1.706 305 C CB -0.693 27.254 27.740 0.345 0.000 2.078 305 C HN 0.548 nan 8.230 nan 0.000 0.480 306 I N 1.203 121.817 120.570 0.073 0.000 2.264 306 I HA -0.055 4.115 4.170 -0.000 0.000 0.248 306 I C 2.291 178.379 176.117 -0.049 0.000 1.111 306 I CA 2.442 63.742 61.300 0.000 0.000 1.382 306 I CB -0.706 37.301 38.000 0.013 0.000 1.060 306 I HN 0.240 nan 8.210 nan 0.000 0.418 307 K N 1.545 121.929 120.400 -0.026 0.000 2.487 307 K HA 0.104 4.424 4.320 -0.000 0.000 0.192 307 K C 1.127 177.671 176.600 -0.094 0.000 1.027 307 K CA 0.631 56.892 56.287 -0.044 0.000 1.054 307 K CB -0.875 31.619 32.500 -0.010 0.000 0.824 307 K HN 0.570 nan 8.250 nan 0.000 0.510 308 K N 0.295 120.587 120.400 -0.181 0.000 3.490 308 K HA -0.261 4.059 4.320 -0.000 0.000 0.273 308 K C 0.196 176.784 176.600 -0.019 0.000 0.916 308 K CA 0.859 56.861 56.287 -0.474 0.000 0.718 308 K CB -1.337 30.655 32.500 -0.847 0.000 1.477 308 K HN 0.766 nan 8.250 nan 0.000 0.452 309 E N 0.518 120.819 120.200 0.169 0.000 2.112 309 E HA -0.069 4.281 4.350 -0.000 0.000 0.190 309 E C 0.214 176.966 176.600 0.253 0.000 0.979 309 E CA 0.750 57.249 56.400 0.166 0.000 0.814 309 E CB 0.204 29.954 29.700 0.083 0.000 0.762 309 E HN 0.299 nan 8.360 nan 0.000 0.460 310 Q N -0.466 119.562 119.800 0.379 0.000 2.275 310 Q HA 0.184 4.524 4.340 -0.000 0.000 0.266 310 Q C -2.268 173.779 176.000 0.077 0.000 1.002 310 Q CA -1.841 54.109 55.803 0.245 0.000 0.761 310 Q CB 1.832 30.674 28.738 0.173 0.000 1.255 310 Q HN -0.080 nan 8.270 nan 0.000 0.446 311 P HA -0.139 nan 4.420 nan 0.000 0.216 311 P C 1.126 178.306 177.300 -0.200 0.000 1.153 311 P CA 1.368 64.067 63.100 -0.668 0.000 0.858 311 P CB 0.421 31.974 31.700 -0.246 0.000 0.789 312 S N -2.277 113.471 115.700 0.080 0.000 2.465 312 S HA -0.193 4.277 4.470 -0.000 0.000 0.241 312 S C 1.665 176.571 174.600 0.510 0.000 1.000 312 S CA 1.327 59.691 58.200 0.273 0.000 0.964 312 S CB -0.762 62.535 63.200 0.161 0.000 0.763 312 S HN 0.407 nan 8.310 nan 0.000 0.512 313 H N -0.365 118.881 119.070 0.293 0.000 2.348 313 H HA 0.078 4.634 4.556 -0.000 0.000 0.306 313 H C 1.974 177.530 175.328 0.380 0.000 1.034 313 H CA 0.757 57.068 56.048 0.439 0.000 1.395 313 H CB -0.457 29.489 29.762 0.307 0.000 1.495 313 H HN 0.385 nan 8.280 nan 0.000 0.616 314 Y N 0.894 121.449 120.300 0.425 0.000 2.403 314 Y HA 0.057 4.607 4.550 -0.000 0.000 0.291 314 Y C 1.468 177.382 175.900 0.024 0.000 1.143 314 Y CA 0.906 59.153 58.100 0.244 0.000 1.257 314 Y CB -0.448 38.150 38.460 0.230 0.000 0.984 314 Y HN 0.061 nan 8.280 nan 0.000 0.550 315 K N -0.931 119.334 120.400 -0.225 0.000 2.459 315 K HA 0.033 4.353 4.320 -0.000 0.000 0.193 315 K C 0.135 176.303 176.600 -0.720 0.000 1.030 315 K CA 0.920 56.935 56.287 -0.453 0.000 1.026 315 K CB -0.069 31.996 32.500 -0.724 0.000 0.809 315 K HN 0.480 nan 8.250 nan 0.000 0.504 316 Y N -2.867 117.351 120.300 -0.138 0.000 2.441 316 Y HA 0.067 4.617 4.550 -0.000 0.000 0.266 316 Y C 1.976 177.444 175.900 -0.720 0.000 1.093 316 Y CA -0.371 57.565 58.100 -0.274 0.000 1.246 316 Y CB -0.062 38.321 38.460 -0.129 0.000 1.262 316 Y HN 0.051 nan 8.280 nan 0.000 0.518 317 H N 2.128 120.679 119.070 -0.864 0.000 2.265 317 H HA -0.234 4.322 4.556 -0.000 0.000 0.293 317 H C 2.050 177.056 175.328 -0.536 0.000 1.089 317 H CA 2.473 57.979 56.048 -0.903 0.000 1.244 317 H CB -0.129 29.398 29.762 -0.392 0.000 1.355 317 H HN 0.453 nan 8.280 nan 0.000 0.485 318 E N 0.794 120.669 120.200 -0.542 0.000 2.077 318 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 318 E C 2.396 178.665 176.600 -0.553 0.000 0.989 318 E CA 1.984 57.796 56.400 -0.980 0.000 0.800 318 E CB -0.419 28.631 29.700 -1.084 0.000 0.746 318 E HN 0.510 nan 8.360 nan 0.000 0.452 319 K N -0.860 119.301 120.400 -0.398 0.000 2.097 319 K HA -0.166 4.154 4.320 -0.000 0.000 0.206 319 K C 1.503 177.860 176.600 -0.405 0.000 1.049 319 K CA 1.498 57.580 56.287 -0.343 0.000 0.933 319 K CB -0.149 32.175 32.500 -0.294 0.000 0.717 319 K HN 0.372 nan 8.250 nan 0.000 0.442 320 H N -1.370 117.540 119.070 -0.266 0.000 2.586 320 H HA -0.037 4.519 4.556 -0.000 0.000 0.273 320 H C 1.198 176.447 175.328 -0.132 0.000 0.997 320 H CA 0.156 56.066 56.048 -0.231 0.000 1.177 320 H CB 0.255 29.721 29.762 -0.493 0.000 1.471 320 H HN 0.269 nan 8.280 nan 0.000 0.538 321 Y N 2.437 122.705 120.300 -0.053 0.000 2.081 321 Y HA -0.328 4.222 4.550 -0.000 0.000 0.280 321 Y C 2.542 178.508 175.900 0.111 0.000 1.163 321 Y CA 1.870 60.042 58.100 0.121 0.000 1.135 321 Y CB -0.487 38.121 38.460 0.248 0.000 0.970 321 Y HN 0.139 nan 8.280 nan 0.000 0.498 322 A N 0.483 123.222 122.820 -0.135 0.000 1.873 322 A HA -0.315 4.005 4.320 -0.000 0.000 0.218 322 A C 2.356 179.870 177.584 -0.116 0.000 1.193 322 A CA 2.123 54.041 52.037 -0.199 0.000 0.629 322 A CB -1.371 17.622 19.000 -0.013 0.000 0.826 322 A HN 0.736 nan 8.150 nan 0.000 0.447 323 N N -0.188 118.519 118.700 0.012 0.000 2.166 323 N HA -0.116 4.624 4.740 -0.000 0.000 0.186 323 N C 1.895 177.527 175.510 0.204 0.000 1.019 323 N CA 1.129 54.263 53.050 0.139 0.000 0.856 323 N CB -0.168 38.471 38.487 0.254 0.000 0.993 323 N HN 0.426 nan 8.380 nan 0.000 0.426 324 A N 0.848 123.729 122.820 0.102 0.000 1.930 324 A HA 0.071 4.391 4.320 -0.000 0.000 0.217 324 A C 2.317 179.936 177.584 0.058 0.000 1.175 324 A CA 1.430 53.516 52.037 0.082 0.000 0.627 324 A CB -0.666 18.242 19.000 -0.154 0.000 0.815 324 A HN 0.435 nan 8.150 nan 0.000 0.443 325 A N 0.003 122.743 122.820 -0.134 0.000 1.933 325 A HA -0.070 4.250 4.320 -0.000 0.000 0.218 325 A C 2.082 179.643 177.584 -0.040 0.000 1.175 325 A CA 1.538 53.477 52.037 -0.165 0.000 0.628 325 A CB -0.543 18.237 19.000 -0.367 0.000 0.814 325 A HN 0.507 nan 8.150 nan 0.000 0.444 326 I N -2.194 118.384 120.570 0.013 0.000 2.286 326 I HA -0.152 4.018 4.170 -0.000 0.000 0.245 326 I C 2.295 178.474 176.117 0.102 0.000 1.104 326 I CA 1.188 62.520 61.300 0.053 0.000 1.397 326 I CB -0.357 37.688 38.000 0.074 0.000 1.072 326 I HN 0.413 nan 8.210 nan 0.000 0.417 327 F N 2.239 122.204 119.950 0.025 0.000 2.120 327 F HA -0.299 4.228 4.527 -0.000 0.000 0.300 327 F C 2.468 178.261 175.800 -0.011 0.000 1.095 327 F CA 1.509 59.523 58.000 0.025 0.000 1.249 327 F CB -0.278 38.802 39.000 0.133 0.000 0.995 327 F HN 0.023 nan 8.300 nan 0.000 0.480 328 A N -0.572 122.305 122.820 0.094 0.000 2.076 328 A HA -0.198 4.122 4.320 -0.000 0.000 0.220 328 A C 1.705 179.222 177.584 -0.112 0.000 1.160 328 A CA 1.984 53.998 52.037 -0.037 0.000 0.653 328 A CB -0.741 18.240 19.000 -0.032 0.000 0.801 328 A HN 0.514 nan 8.150 nan 0.000 0.455 329 D N -0.736 119.608 120.400 -0.093 0.000 2.349 329 D HA 0.103 4.743 4.640 -0.000 0.000 0.214 329 D C 0.581 176.813 176.300 -0.114 0.000 1.063 329 D CA 0.259 54.209 54.000 -0.083 0.000 0.847 329 D CB 0.189 40.965 40.800 -0.040 0.000 0.933 329 D HN 0.322 nan 8.370 nan 0.000 0.513 330 S N 0.459 116.039 115.700 -0.200 0.000 2.585 330 S HA 0.099 4.569 4.470 -0.000 0.000 0.273 330 S C 1.012 175.482 174.600 -0.217 0.000 1.339 330 S CA -0.198 57.873 58.200 -0.215 0.000 1.028 330 S CB 1.042 64.036 63.200 -0.343 0.000 0.906 330 S HN -0.047 nan 8.310 nan 0.000 0.528 331 K N 2.240 122.557 120.400 -0.137 0.000 2.372 331 K HA 0.241 4.561 4.320 -0.000 0.000 0.200 331 K C -0.121 176.412 176.600 -0.112 0.000 1.022 331 K CA -0.100 56.122 56.287 -0.108 0.000 1.125 331 K CB 0.161 32.630 32.500 -0.053 0.000 0.855 331 K HN 0.448 nan 8.250 nan 0.000 0.524 332 N N 1.285 119.890 118.700 -0.159 0.000 2.497 332 N HA 0.067 4.807 4.740 -0.000 0.000 0.284 332 N C 0.382 175.726 175.510 -0.277 0.000 1.459 332 N CA 0.024 52.986 53.050 -0.146 0.000 0.899 332 N CB 0.976 39.443 38.487 -0.033 0.000 1.316 332 N HN 0.177 nan 8.380 nan 0.000 0.500 333 Q N 1.041 120.621 119.800 -0.366 0.000 2.045 333 Q HA -0.161 4.179 4.340 -0.000 0.000 0.206 333 Q C 1.907 177.828 176.000 -0.132 0.000 0.991 333 Q CA 1.596 57.135 55.803 -0.440 0.000 0.851 333 Q CB 0.095 28.514 28.738 -0.532 0.000 0.911 333 Q HN 0.292 nan 8.270 nan 0.000 0.418 334 K N -0.030 120.306 120.400 -0.106 0.000 2.057 334 K HA -0.135 4.184 4.320 -0.000 0.000 0.207 334 K C 2.043 178.591 176.600 -0.086 0.000 1.049 334 K CA 1.644 57.896 56.287 -0.058 0.000 0.931 334 K CB 0.027 32.502 32.500 -0.042 0.000 0.714 334 K HN 0.136 nan 8.250 nan 0.000 0.440 335 T N 1.418 115.903 114.554 -0.115 0.000 2.788 335 T HA -0.102 4.248 4.350 -0.000 0.000 0.268 335 T C 1.783 176.318 174.700 -0.274 0.000 1.044 335 T CA 1.359 63.397 62.100 -0.104 0.000 1.139 335 T CB -0.121 68.739 68.868 -0.015 0.000 0.867 335 T HN 0.194 nan 8.240 nan 0.000 0.454 336 I N 0.610 120.846 120.570 -0.556 0.000 2.252 336 I HA -0.162 4.008 4.170 -0.000 0.000 0.245 336 I C 2.550 178.450 176.117 -0.361 0.000 1.102 336 I CA 0.816 61.584 61.300 -0.886 0.000 1.385 336 I CB -0.419 37.062 38.000 -0.865 0.000 1.064 336 I HN 0.308 nan 8.210 nan 0.000 0.414 337 C N 0.010 119.194 119.300 -0.195 0.000 2.435 337 C HA -0.124 4.336 4.460 -0.000 0.000 0.279 337 C C 2.819 177.759 174.990 -0.083 0.000 1.321 337 C CA 0.516 59.457 59.018 -0.128 0.000 1.752 337 C CB -0.917 26.788 27.740 -0.058 0.000 1.959 337 C HN 0.515 nan 8.230 nan 0.000 0.500 338 Q N 0.511 120.273 119.800 -0.063 0.000 2.079 338 Q HA -0.202 4.138 4.340 -0.000 0.000 0.200 338 Q C 2.229 178.234 176.000 0.008 0.000 0.974 338 Q CA 1.502 57.293 55.803 -0.020 0.000 0.840 338 Q CB -0.508 28.227 28.738 -0.005 0.000 0.898 338 Q HN 0.784 nan 8.270 nan 0.000 0.430 339 Q N -0.384 119.441 119.800 0.041 0.000 2.124 339 Q HA -0.126 4.214 4.340 -0.000 0.000 0.202 339 Q C 1.845 177.880 176.000 0.057 0.000 0.977 339 Q CA 1.440 57.307 55.803 0.107 0.000 0.850 339 Q CB -0.040 28.869 28.738 0.284 0.000 0.901 339 Q HN 0.332 nan 8.270 nan 0.000 0.429 340 A N -0.140 122.684 122.820 0.007 0.000 1.877 340 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 340 A C 2.202 179.767 177.584 -0.032 0.000 1.186 340 A CA 1.493 53.515 52.037 -0.025 0.000 0.620 340 A CB -0.762 18.183 19.000 -0.091 0.000 0.822 340 A HN 0.305 nan 8.150 nan 0.000 0.443 341 V N 0.671 120.563 119.914 -0.037 0.000 2.427 341 V HA -0.218 3.902 4.120 -0.000 0.000 0.248 341 V C 2.060 178.143 176.094 -0.018 0.000 1.051 341 V CA 2.237 64.516 62.300 -0.034 0.000 1.048 341 V CB -0.769 31.035 31.823 -0.031 0.000 0.666 341 V HN 0.494 nan 8.190 nan 0.000 0.456 342 D N -0.237 120.162 120.400 -0.003 0.000 2.178 342 D HA -0.131 4.509 4.640 -0.000 0.000 0.201 342 D C 2.256 178.557 176.300 0.003 0.000 0.980 342 D CA 1.692 55.694 54.000 0.004 0.000 0.842 342 D CB -0.255 40.556 40.800 0.018 0.000 0.948 342 D HN 0.393 nan 8.370 nan 0.000 0.472 343 T N 0.305 114.861 114.554 0.005 0.000 2.777 343 T HA -0.072 4.278 4.350 -0.000 0.000 0.266 343 T C 2.251 176.945 174.700 -0.010 0.000 1.040 343 T CA 0.583 62.685 62.100 0.003 0.000 1.141 343 T CB -0.179 68.695 68.868 0.010 0.000 0.868 343 T HN -0.018 nan 8.240 nan 0.000 0.444 344 V N 1.589 121.490 119.914 -0.022 0.000 2.343 344 V HA -0.096 4.024 4.120 -0.000 0.000 0.247 344 V C 2.458 178.538 176.094 -0.023 0.000 1.051 344 V CA 1.417 63.698 62.300 -0.032 0.000 1.036 344 V CB -0.656 31.136 31.823 -0.051 0.000 0.654 344 V HN 0.443 nan 8.190 nan 0.000 0.451 345 L N -0.025 121.188 121.223 -0.017 0.000 2.141 345 L HA -0.116 4.223 4.340 -0.000 0.000 0.209 345 L C 2.704 179.569 176.870 -0.008 0.000 1.094 345 L CA 1.375 56.208 54.840 -0.012 0.000 0.763 345 L CB -0.759 41.295 42.059 -0.008 0.000 0.908 345 L HN 0.363 nan 8.230 nan 0.000 0.437 346 A N 0.302 123.119 122.820 -0.006 0.000 1.898 346 A HA -0.238 4.082 4.320 -0.000 0.000 0.216 346 A C 2.303 179.884 177.584 -0.006 0.000 1.181 346 A CA 1.872 53.907 52.037 -0.004 0.000 0.620 346 A CB -0.363 18.637 19.000 -0.000 0.000 0.819 346 A HN 0.220 nan 8.150 nan 0.000 0.442 347 K N 0.449 120.844 120.400 -0.008 0.000 2.063 347 K HA -0.116 4.204 4.320 -0.000 0.000 0.208 347 K C 1.828 178.422 176.600 -0.009 0.000 1.048 347 K CA 2.051 58.333 56.287 -0.008 0.000 0.928 347 K CB -0.308 32.185 32.500 -0.012 0.000 0.713 347 K HN 0.472 nan 8.250 nan 0.000 0.442 348 K N -0.396 119.997 120.400 -0.011 0.000 2.148 348 K HA -0.124 4.196 4.320 -0.000 0.000 0.204 348 K C 2.220 178.816 176.600 -0.007 0.000 1.050 348 K CA 1.227 57.509 56.287 -0.009 0.000 0.942 348 K CB -0.121 32.373 32.500 -0.010 0.000 0.724 348 K HN -0.010 nan 8.250 nan 0.000 0.446 349 R N 1.148 121.644 120.500 -0.007 0.000 2.075 349 R HA -0.074 4.266 4.340 -0.000 0.000 0.232 349 R C 1.882 178.178 176.300 -0.008 0.000 1.126 349 R CA 1.277 57.372 56.100 -0.008 0.000 0.963 349 R CB -0.720 29.576 30.300 -0.007 0.000 0.858 349 R HN -0.053 nan 8.270 nan 0.000 0.435 350 V N 1.309 121.219 119.914 -0.007 0.000 2.295 350 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 350 V C 1.647 177.737 176.094 -0.007 0.000 1.049 350 V CA 2.298 64.594 62.300 -0.007 0.000 1.024 350 V CB -0.577 31.243 31.823 -0.006 0.000 0.648 350 V HN 0.347 nan 8.190 nan 0.000 0.447 351 D N 0.349 120.745 120.400 -0.006 0.000 2.123 351 D HA -0.140 4.499 4.640 -0.000 0.000 0.196 351 D C 2.435 178.735 176.300 -0.001 0.000 0.992 351 D CA 1.822 55.820 54.000 -0.005 0.000 0.833 351 D CB -0.362 40.435 40.800 -0.004 0.000 0.954 351 D HN 0.597 nan 8.370 nan 0.000 0.455 352 S N -0.197 115.503 115.700 -0.001 0.000 2.399 352 S HA -0.085 4.385 4.470 -0.000 0.000 0.231 352 S C 2.057 176.650 174.600 -0.012 0.000 1.022 352 S CA 0.648 58.846 58.200 -0.002 0.000 0.983 352 S CB -0.422 62.773 63.200 -0.008 0.000 0.803 352 S HN 0.253 nan 8.310 nan 0.000 0.480 353 L N -0.111 121.104 121.223 -0.013 0.000 2.416 353 L HA 0.230 4.570 4.340 -0.000 0.000 0.216 353 L C 2.626 179.487 176.870 -0.016 0.000 1.098 353 L CA 0.576 55.406 54.840 -0.017 0.000 0.840 353 L CB -0.158 41.892 42.059 -0.015 0.000 0.981 353 L HN 0.340 nan 8.230 nan 0.000 0.462 354 Q N -0.792 119.000 119.800 -0.013 0.000 2.353 354 Q HA 0.258 4.598 4.340 -0.000 0.000 0.240 354 Q C 0.309 176.300 176.000 -0.015 0.000 0.868 354 Q CA -0.072 55.723 55.803 -0.014 0.000 0.944 354 Q CB 0.968 29.700 28.738 -0.011 0.000 1.104 354 Q HN 0.344 nan 8.270 nan 0.000 0.531 355 L N 1.777 122.993 121.223 -0.012 0.000 2.439 355 L HA 0.237 4.577 4.340 -0.000 0.000 0.261 355 L C 0.746 177.605 176.870 -0.017 0.000 1.153 355 L CA -0.559 54.273 54.840 -0.013 0.000 0.808 355 L CB 0.905 42.958 42.059 -0.010 0.000 1.126 355 L HN 0.116 nan 8.230 nan 0.000 0.460 356 T N -1.763 112.777 114.554 -0.025 0.000 2.828 356 T HA 0.202 4.552 4.350 -0.000 0.000 0.290 356 T C 1.105 175.796 174.700 -0.014 0.000 1.019 356 T CA -0.627 61.452 62.100 -0.036 0.000 1.031 356 T CB 0.873 69.709 68.868 -0.053 0.000 1.001 356 T HN 0.527 nan 8.240 nan 0.000 0.531 357 R N 0.314 120.807 120.500 -0.011 0.000 2.148 357 R HA -0.063 4.277 4.340 -0.000 0.000 0.227 357 R C 2.343 178.685 176.300 0.070 0.000 1.103 357 R CA 1.305 57.459 56.100 0.089 0.000 0.983 357 R CB -0.254 30.072 30.300 0.043 0.000 0.874 357 R HN 0.844 nan 8.270 nan 0.000 0.451 358 E N 1.403 121.584 120.200 -0.032 0.000 2.106 358 E HA -0.193 4.157 4.350 -0.000 0.000 0.192 358 E C 1.825 178.360 176.600 -0.108 0.000 0.984 358 E CA 0.960 57.310 56.400 -0.083 0.000 0.806 358 E CB 0.194 29.843 29.700 -0.085 0.000 0.750 358 E HN 0.382 nan 8.360 nan 0.000 0.458 359 Q N -0.237 119.521 119.800 -0.070 0.000 2.119 359 Q HA -0.152 4.188 4.340 -0.000 0.000 0.201 359 Q C 2.220 178.165 176.000 -0.092 0.000 0.972 359 Q CA 1.484 57.247 55.803 -0.067 0.000 0.847 359 Q CB -0.060 28.655 28.738 -0.039 0.000 0.903 359 Q HN 0.382 nan 8.270 nan 0.000 0.433 360 M N 0.197 119.749 119.600 -0.080 0.000 2.086 360 M HA -0.189 4.291 4.480 -0.000 0.000 0.261 360 M C 2.223 178.343 176.300 -0.300 0.000 1.067 360 M CA 1.365 56.596 55.300 -0.114 0.000 1.116 360 M CB -0.297 32.316 32.600 0.022 0.000 1.348 360 M HN 0.261 nan 8.290 nan 0.000 0.407 361 L N -0.262 120.694 121.223 -0.445 0.000 2.046 361 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 361 L C 2.333 178.862 176.870 -0.569 0.000 1.077 361 L CA 1.634 56.069 54.840 -0.675 0.000 0.747 361 L CB -0.572 41.070 42.059 -0.694 0.000 0.896 361 L HN 0.369 nan 8.230 nan 0.000 0.432 362 T N -0.182 114.147 114.554 -0.375 0.000 2.746 362 T HA -0.154 4.196 4.350 -0.000 0.000 0.267 362 T C 1.628 176.285 174.700 -0.071 0.000 1.039 362 T CA 1.432 63.408 62.100 -0.206 0.000 1.142 362 T CB -0.240 68.571 68.868 -0.095 0.000 0.866 362 T HN 0.341 nan 8.240 nan 0.000 0.444 363 N N 0.853 119.503 118.700 -0.084 0.000 2.120 363 N HA -0.073 4.667 4.740 -0.000 0.000 0.188 363 N C 2.010 177.516 175.510 -0.007 0.000 1.024 363 N CA 0.965 53.996 53.050 -0.033 0.000 0.852 363 N CB -0.322 38.138 38.487 -0.045 0.000 1.003 363 N HN 0.218 nan 8.380 nan 0.000 0.424 364 R N 0.506 120.979 120.500 -0.045 0.000 2.073 364 R HA 0.007 4.347 4.340 -0.000 0.000 0.234 364 R C 1.847 178.262 176.300 0.191 0.000 1.134 364 R CA 1.116 57.230 56.100 0.023 0.000 0.952 364 R CB -0.912 29.354 30.300 -0.057 0.000 0.850 364 R HN 0.054 nan 8.270 nan 0.000 0.433 365 F N 1.290 121.206 119.950 -0.057 0.000 2.126 365 F HA -0.154 4.373 4.527 -0.000 0.000 0.299 365 F C 2.061 177.850 175.800 -0.018 0.000 1.096 365 F CA 1.221 59.210 58.000 -0.019 0.000 1.255 365 F CB -0.920 38.101 39.000 0.035 0.000 0.997 365 F HN 0.161 nan 8.300 nan 0.000 0.479 366 N N 0.304 119.118 118.700 0.190 0.000 2.166 366 N HA -0.153 4.587 4.740 -0.000 0.000 0.186 366 N C 1.444 176.994 175.510 0.066 0.000 1.019 366 N CA 1.356 54.470 53.050 0.108 0.000 0.856 366 N CB -0.382 38.155 38.487 0.084 0.000 0.993 366 N HN 0.265 nan 8.380 nan 0.000 0.426 367 D N 0.842 121.275 120.400 0.054 0.000 2.117 367 D HA -0.036 4.604 4.640 -0.000 0.000 0.198 367 D C 2.190 178.494 176.300 0.006 0.000 0.982 367 D CA 0.400 54.416 54.000 0.026 0.000 0.828 367 D CB -0.181 40.628 40.800 0.015 0.000 0.967 367 D HN 0.237 nan 8.370 nan 0.000 0.464 368 L N 0.293 121.515 121.223 -0.002 0.000 2.093 368 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 368 L C 2.513 179.322 176.870 -0.102 0.000 1.085 368 L CA 0.580 55.382 54.840 -0.063 0.000 0.755 368 L CB -0.315 41.685 42.059 -0.098 0.000 0.904 368 L HN 0.031 nan 8.230 nan 0.000 0.435 369 L N -0.553 120.621 121.223 -0.082 0.000 2.141 369 L HA -0.207 4.133 4.340 -0.000 0.000 0.209 369 L C 2.170 179.074 176.870 0.057 0.000 1.094 369 L CA 0.868 55.661 54.840 -0.079 0.000 0.763 369 L CB -0.593 41.456 42.059 -0.018 0.000 0.908 369 L HN 0.281 nan 8.230 nan 0.000 0.437 370 D N 0.230 120.660 120.400 0.050 0.000 2.117 370 D HA -0.145 4.495 4.640 -0.000 0.000 0.197 370 D C 2.333 178.658 176.300 0.041 0.000 0.987 370 D CA 1.137 55.177 54.000 0.066 0.000 0.829 370 D CB -0.075 40.752 40.800 0.046 0.000 0.961 370 D HN 0.284 nan 8.370 nan 0.000 0.460 371 R N -0.170 120.321 120.500 -0.014 0.000 2.092 371 R HA 0.042 4.382 4.340 -0.000 0.000 0.231 371 R C 2.431 178.660 176.300 -0.119 0.000 1.119 371 R CA 0.798 56.858 56.100 -0.067 0.000 0.970 371 R CB -0.189 30.051 30.300 -0.101 0.000 0.864 371 R HN 0.219 nan 8.270 nan 0.000 0.440 372 M N 0.557 120.104 119.600 -0.088 0.000 2.175 372 M HA -0.137 4.343 4.480 -0.000 0.000 0.264 372 M C 1.291 177.763 176.300 0.286 0.000 1.063 372 M CA 1.353 56.632 55.300 -0.035 0.000 1.119 372 M CB -0.084 32.432 32.600 -0.139 0.000 1.377 372 M HN 0.007 nan 8.290 nan 0.000 0.415 373 D N 0.718 121.320 120.400 0.336 0.000 2.123 373 D HA -0.126 4.514 4.640 -0.000 0.000 0.196 373 D C 1.888 178.284 176.300 0.160 0.000 0.992 373 D CA 1.396 55.586 54.000 0.317 0.000 0.833 373 D CB -0.199 40.731 40.800 0.218 0.000 0.954 373 D HN 0.393 nan 8.370 nan 0.000 0.455 374 I N 0.229 120.844 120.570 0.074 0.000 2.235 374 I HA -0.204 3.966 4.170 -0.000 0.000 0.241 374 I C 2.552 178.637 176.117 -0.052 0.000 1.085 374 I CA 0.583 61.904 61.300 0.035 0.000 1.378 374 I CB -0.210 37.815 38.000 0.042 0.000 1.076 374 I HN -0.096 nan 8.210 nan 0.000 0.415 375 M N 0.165 119.629 119.600 -0.227 0.000 2.089 375 M HA -0.243 4.237 4.480 -0.000 0.000 0.257 375 M C 1.489 177.535 176.300 -0.423 0.000 1.071 375 M CA 2.166 57.174 55.300 -0.487 0.000 1.096 375 M CB -0.424 31.515 32.600 -1.101 0.000 1.330 375 M HN 0.118 nan 8.290 nan 0.000 0.403 376 F N -0.228 119.740 119.950 0.031 0.000 2.660 376 F HA 0.340 4.867 4.527 -0.000 0.000 0.302 376 F C 1.382 177.211 175.800 0.048 0.000 1.103 376 F CA -0.614 57.424 58.000 0.064 0.000 1.340 376 F CB -1.055 38.041 39.000 0.160 0.000 1.048 376 F HN -0.063 nan 8.300 nan 0.000 0.551 377 G N -0.276 108.607 108.800 0.139 0.000 2.522 377 G HA2 0.310 4.270 3.960 -0.000 0.000 0.304 377 G HA3 0.310 4.270 3.960 -0.000 0.000 0.304 377 G C 0.864 175.796 174.900 0.054 0.000 1.210 377 G CA -0.008 45.142 45.100 0.084 0.000 0.960 377 G HN 0.162 nan 8.290 nan 0.000 0.497 378 S N -1.854 113.863 115.700 0.028 0.000 2.500 378 S HA -0.122 4.348 4.470 -0.000 0.000 0.239 378 S C 1.723 176.326 174.600 0.005 0.000 0.989 378 S CA 1.823 60.031 58.200 0.013 0.000 0.951 378 S CB -0.053 63.145 63.200 -0.003 0.000 0.759 378 S HN 0.619 nan 8.310 nan 0.000 0.523 379 T N 0.311 114.869 114.554 0.008 0.000 3.001 379 T HA 0.403 4.753 4.350 -0.000 0.000 0.251 379 T C 0.885 175.594 174.700 0.015 0.000 1.040 379 T CA 0.342 62.439 62.100 -0.005 0.000 0.985 379 T CB -0.431 68.422 68.868 -0.025 0.000 1.011 379 T HN 0.527 nan 8.240 nan 0.000 0.509 380 G N -0.075 108.737 108.800 0.020 0.000 2.621 380 G HA2 0.405 4.365 3.960 -0.000 0.000 0.271 380 G HA3 0.405 4.365 3.960 -0.000 0.000 0.271 380 G C 0.477 175.384 174.900 0.012 0.000 1.236 380 G CA -0.018 45.082 45.100 -0.000 0.000 0.958 380 G HN 0.223 nan 8.290 nan 0.000 0.512 381 S N -1.412 114.288 115.700 0.000 0.000 2.666 381 S HA 0.500 4.970 4.470 -0.000 0.000 0.239 381 S C 0.866 175.509 174.600 0.072 0.000 1.031 381 S CA 0.424 58.646 58.200 0.038 0.000 1.015 381 S CB -0.289 62.935 63.200 0.041 0.000 0.981 381 S HN 0.992 nan 8.310 nan 0.000 0.547 382 A N 1.431 124.268 122.820 0.029 0.000 2.327 382 A HA 0.561 4.881 4.320 -0.000 0.000 0.283 382 A C -0.530 177.260 177.584 0.344 0.000 1.127 382 A CA -0.406 51.713 52.037 0.137 0.000 0.810 382 A CB 0.453 19.273 19.000 -0.301 0.000 1.066 382 A HN 0.356 nan 8.150 nan 0.000 0.492 383 D N 2.249 122.937 120.400 0.479 0.000 2.412 383 D HA 0.212 4.852 4.640 -0.000 0.000 0.224 383 D C 0.810 177.440 176.300 0.551 0.000 1.093 383 D CA -0.516 53.728 54.000 0.407 0.000 0.850 383 D CB 0.756 41.689 40.800 0.221 0.000 1.046 383 D HN 0.283 nan 8.370 nan 0.000 0.507 384 I N 3.922 124.731 120.570 0.397 0.000 2.399 384 I HA -0.210 3.960 4.170 -0.000 0.000 0.254 384 I C 1.856 178.182 176.117 0.349 0.000 1.146 384 I CA 1.603 62.963 61.300 0.101 0.000 1.412 384 I CB -0.080 37.861 38.000 -0.099 0.000 1.076 384 I HN 0.626 nan 8.210 nan 0.000 0.432 385 E N 0.291 120.711 120.200 0.368 0.000 2.072 385 E HA -0.251 4.099 4.350 -0.000 0.000 0.191 385 E C 1.989 178.708 176.600 0.197 0.000 0.985 385 E CA 1.428 58.044 56.400 0.359 0.000 0.801 385 E CB -0.178 29.674 29.700 0.253 0.000 0.750 385 E HN 0.646 nan 8.360 nan 0.000 0.452 386 E N -0.569 119.728 120.200 0.162 0.000 2.150 386 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 386 E C 1.680 178.394 176.600 0.190 0.000 0.985 386 E CA 0.921 57.363 56.400 0.071 0.000 0.814 386 E CB -0.120 29.486 29.700 -0.156 0.000 0.752 386 E HN 0.443 nan 8.360 nan 0.000 0.466 387 W N 0.235 121.648 121.300 0.189 0.000 2.409 387 W HA -0.020 4.640 4.660 -0.000 0.000 0.299 387 W C 2.201 178.750 176.519 0.050 0.000 1.203 387 W CA 0.431 57.878 57.345 0.170 0.000 1.298 387 W CB -0.134 29.474 29.460 0.247 0.000 1.127 387 W HN 0.028 nan 8.180 nan 0.000 0.528 388 M N -0.052 119.606 119.600 0.098 0.000 2.296 388 M HA -0.048 4.432 4.480 -0.000 0.000 0.265 388 M C 2.093 178.371 176.300 -0.037 0.000 1.064 388 M CA 1.520 56.722 55.300 -0.164 0.000 1.109 388 M CB -1.756 30.389 32.600 -0.758 0.000 1.396 388 M HN 0.086 nan 8.290 nan 0.000 0.430 389 A N -0.138 122.715 122.820 0.056 0.000 1.969 389 A HA 0.040 4.360 4.320 -0.000 0.000 0.218 389 A C 2.377 180.039 177.584 0.130 0.000 1.169 389 A CA 1.729 53.839 52.037 0.122 0.000 0.635 389 A CB -1.183 17.986 19.000 0.283 0.000 0.810 389 A HN 0.501 nan 8.150 nan 0.000 0.445 390 G N -0.635 108.219 108.800 0.091 0.000 2.403 390 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.216 390 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.216 390 G C 1.461 176.470 174.900 0.180 0.000 1.154 390 G CA 1.088 46.221 45.100 0.055 0.000 0.784 390 G HN 0.286 nan 8.290 nan 0.000 0.538 391 V N 1.594 121.614 119.914 0.177 0.000 2.343 391 V HA -0.143 3.977 4.120 -0.000 0.000 0.247 391 V C 3.322 179.606 176.094 0.316 0.000 1.051 391 V CA 2.002 64.442 62.300 0.234 0.000 1.036 391 V CB -0.835 31.073 31.823 0.141 0.000 0.654 391 V HN 0.464 nan 8.190 nan 0.000 0.451 392 A N -0.961 122.018 122.820 0.264 0.000 1.883 392 A HA -0.303 4.017 4.320 -0.000 0.000 0.217 392 A C 1.984 179.690 177.584 0.203 0.000 1.186 392 A CA 2.157 54.287 52.037 0.154 0.000 0.624 392 A CB -1.016 17.947 19.000 -0.063 0.000 0.822 392 A HN 0.719 nan 8.150 nan 0.000 0.444 393 W N 0.431 121.758 121.300 0.045 0.000 2.355 393 W HA -0.158 4.502 4.660 -0.000 0.000 0.309 393 W C 1.863 178.419 176.519 0.062 0.000 1.206 393 W CA 1.935 59.300 57.345 0.034 0.000 1.284 393 W CB -0.266 29.180 29.460 -0.023 0.000 1.145 393 W HN 0.266 nan 8.180 nan 0.000 0.502 394 L N -0.804 120.701 121.223 0.470 0.000 2.083 394 L HA -0.281 4.059 4.340 -0.000 0.000 0.209 394 L C 2.612 179.545 176.870 0.105 0.000 1.083 394 L CA 1.410 56.443 54.840 0.321 0.000 0.752 394 L CB -1.068 41.184 42.059 0.321 0.000 0.899 394 L HN 0.137 nan 8.230 nan 0.000 0.433 395 H N -1.266 117.848 119.070 0.073 0.000 2.561 395 H HA -0.074 4.482 4.556 -0.000 0.000 0.278 395 H C 1.548 176.842 175.328 -0.057 0.000 1.014 395 H CA 0.906 56.966 56.048 0.021 0.000 1.211 395 H CB 0.409 30.253 29.762 0.135 0.000 1.365 395 H HN 0.419 nan 8.280 nan 0.000 0.594 396 C N -0.155 119.083 119.300 -0.104 0.000 3.038 396 C HA 0.062 4.522 4.460 -0.000 0.000 0.279 396 C C 2.400 177.221 174.990 -0.281 0.000 1.276 396 C CA -0.458 58.464 59.018 -0.161 0.000 1.697 396 C CB -0.555 27.107 27.740 -0.132 0.000 2.032 396 C HN 0.411 nan 8.230 nan 0.000 0.636 397 L N 0.399 121.400 121.223 -0.371 0.000 2.109 397 L HA 0.198 4.538 4.340 -0.000 0.000 0.207 397 L C 0.202 176.894 176.870 -0.297 0.000 1.086 397 L CA 2.209 56.820 54.840 -0.382 0.000 0.760 397 L CB -0.071 41.836 42.059 -0.254 0.000 0.910 397 L HN 0.118 nan 8.230 nan 0.000 0.437 398 L N -1.615 119.436 121.223 -0.287 0.000 2.415 398 L HA 0.515 4.855 4.340 -0.000 0.000 0.256 398 L C -2.372 174.334 176.870 -0.273 0.000 1.010 398 L CA -1.520 53.135 54.840 -0.309 0.000 0.826 398 L CB 1.037 42.876 42.059 -0.368 0.000 1.405 398 L HN -0.238 nan 8.230 nan 0.000 0.410 399 P HA 0.199 nan 4.420 nan 0.000 0.271 399 P C -0.776 176.409 177.300 -0.192 0.000 1.216 399 P CA -0.302 62.689 63.100 -0.181 0.000 0.771 399 P CB 0.304 31.924 31.700 -0.133 0.000 0.864 400 K N 1.037 121.319 120.400 -0.197 0.000 3.156 400 K HA -0.253 4.067 4.320 -0.000 0.000 0.266 400 K C 0.881 177.354 176.600 -0.211 0.000 0.966 400 K CA 0.037 56.225 56.287 -0.165 0.000 0.719 400 K CB -1.195 31.269 32.500 -0.060 0.000 1.333 400 K HN 0.384 nan 8.250 nan 0.000 0.468 401 M N 1.856 121.205 119.600 -0.418 0.000 2.106 401 M HA -0.214 4.266 4.480 -0.000 0.000 0.259 401 M C 1.798 178.029 176.300 -0.116 0.000 1.068 401 M CA 2.495 57.616 55.300 -0.298 0.000 1.100 401 M CB -0.163 32.192 32.600 -0.408 0.000 1.351 401 M HN 0.420 nan 8.290 nan 0.000 0.404 402 D N -1.868 118.457 120.400 -0.125 0.000 2.178 402 D HA -0.120 4.520 4.640 -0.000 0.000 0.201 402 D C 1.584 177.950 176.300 0.110 0.000 0.980 402 D CA 1.631 55.642 54.000 0.018 0.000 0.842 402 D CB -0.549 40.197 40.800 -0.090 0.000 0.948 402 D HN 0.420 nan 8.370 nan 0.000 0.472 403 S N -0.002 115.747 115.700 0.082 0.000 2.414 403 S HA -0.021 4.449 4.470 -0.000 0.000 0.227 403 S C 2.292 177.037 174.600 0.241 0.000 1.022 403 S CA 0.223 58.523 58.200 0.168 0.000 0.958 403 S CB 0.070 63.334 63.200 0.106 0.000 0.797 403 S HN 0.161 nan 8.310 nan 0.000 0.493 404 V N 1.519 121.539 119.914 0.177 0.000 2.343 404 V HA -0.127 3.993 4.120 -0.000 0.000 0.247 404 V C 2.281 178.568 176.094 0.321 0.000 1.051 404 V CA 1.431 63.894 62.300 0.272 0.000 1.036 404 V CB -0.619 31.295 31.823 0.152 0.000 0.654 404 V HN 0.336 nan 8.190 nan 0.000 0.451 405 V N -0.967 119.085 119.914 0.230 0.000 2.358 405 V HA -0.275 3.845 4.120 -0.000 0.000 0.246 405 V C 2.190 178.444 176.094 0.265 0.000 1.047 405 V CA 2.317 64.756 62.300 0.231 0.000 1.035 405 V CB -0.813 31.131 31.823 0.201 0.000 0.658 405 V HN 0.652 nan 8.190 nan 0.000 0.452 406 Y N 1.685 122.071 120.300 0.144 0.000 2.145 406 Y HA -0.251 4.299 4.550 -0.000 0.000 0.286 406 Y C 2.357 178.321 175.900 0.107 0.000 1.145 406 Y CA 2.072 60.234 58.100 0.103 0.000 1.148 406 Y CB -0.411 38.093 38.460 0.074 0.000 0.981 406 Y HN 0.318 nan 8.280 nan 0.000 0.507 407 D N -0.395 120.111 120.400 0.176 0.000 2.144 407 D HA -0.205 4.435 4.640 -0.000 0.000 0.199 407 D C 2.003 178.318 176.300 0.025 0.000 0.984 407 D CA 1.318 55.401 54.000 0.138 0.000 0.834 407 D CB -0.747 40.306 40.800 0.422 0.000 0.955 407 D HN 0.429 nan 8.370 nan 0.000 0.465 408 F N 1.433 121.221 119.950 -0.270 0.000 2.102 408 F HA -0.115 4.412 4.527 -0.000 0.000 0.298 408 F C 2.098 177.647 175.800 -0.418 0.000 1.105 408 F CA 1.072 58.589 58.000 -0.805 0.000 1.239 408 F CB -0.314 38.233 39.000 -0.754 0.000 0.991 408 F HN -0.123 nan 8.300 nan 0.000 0.474 409 L N -0.212 120.867 121.223 -0.240 0.000 2.042 409 L HA -0.242 4.098 4.340 -0.000 0.000 0.210 409 L C 2.462 179.162 176.870 -0.284 0.000 1.076 409 L CA 1.466 56.172 54.840 -0.224 0.000 0.749 409 L CB -0.774 41.243 42.059 -0.069 0.000 0.893 409 L HN 0.033 nan 8.230 nan 0.000 0.432 410 K N -0.349 119.851 120.400 -0.334 0.000 2.057 410 K HA -0.182 4.138 4.320 -0.000 0.000 0.207 410 K C 2.223 178.739 176.600 -0.139 0.000 1.049 410 K CA 1.441 57.591 56.287 -0.227 0.000 0.931 410 K CB -0.992 31.280 32.500 -0.380 0.000 0.714 410 K HN 0.332 nan 8.250 nan 0.000 0.440 411 C N 0.263 119.410 119.300 -0.255 0.000 2.429 411 C HA -0.099 4.361 4.460 -0.000 0.000 0.277 411 C C 2.379 177.196 174.990 -0.287 0.000 1.262 411 C CA 0.808 59.701 59.018 -0.208 0.000 1.733 411 C CB -0.694 26.935 27.740 -0.186 0.000 2.010 411 C HN 0.423 nan 8.230 nan 0.000 0.483 412 M N 0.373 119.664 119.600 -0.514 0.000 2.175 412 M HA -0.051 4.429 4.480 -0.000 0.000 0.264 412 M C 2.340 178.458 176.300 -0.303 0.000 1.063 412 M CA 1.498 56.496 55.300 -0.503 0.000 1.119 412 M CB -1.836 30.439 32.600 -0.541 0.000 1.377 412 M HN 0.472 nan 8.290 nan 0.000 0.415 413 V N -0.541 119.320 119.914 -0.088 0.000 2.323 413 V HA -0.256 3.864 4.120 -0.000 0.000 0.244 413 V C 2.141 178.206 176.094 -0.049 0.000 1.041 413 V CA 1.622 63.920 62.300 -0.004 0.000 1.025 413 V CB -0.575 31.266 31.823 0.031 0.000 0.656 413 V HN 0.291 nan 8.190 nan 0.000 0.451 414 Y N 0.964 121.183 120.300 -0.134 0.000 2.224 414 Y HA -0.049 4.501 4.550 -0.000 0.000 0.289 414 Y C 1.704 177.542 175.900 -0.103 0.000 1.146 414 Y CA 1.307 59.349 58.100 -0.097 0.000 1.182 414 Y CB -0.714 37.702 38.460 -0.072 0.000 0.983 414 Y HN 0.558 nan 8.280 nan 0.000 0.524 415 N N 0.622 119.322 118.700 -0.000 0.000 2.705 415 N HA -0.234 4.506 4.740 -0.000 0.000 0.255 415 N C -0.986 174.529 175.510 0.007 0.000 1.008 415 N CA -0.237 52.774 53.050 -0.065 0.000 0.742 415 N CB -1.089 37.315 38.487 -0.138 0.000 0.906 415 N HN 0.239 nan 8.380 nan 0.000 0.541 416 I N 1.212 121.817 120.570 0.059 0.000 2.471 416 I HA 0.155 4.325 4.170 -0.000 0.000 0.286 416 I C -1.801 174.357 176.117 0.068 0.000 1.079 416 I CA -1.703 59.641 61.300 0.073 0.000 1.398 416 I CB 0.668 38.725 38.000 0.095 0.000 1.403 416 I HN 0.079 nan 8.210 nan 0.000 0.530 417 P HA -0.118 nan 4.420 nan 0.000 0.260 417 P C 0.162 177.505 177.300 0.071 0.000 1.172 417 P CA 0.410 63.545 63.100 0.059 0.000 0.760 417 P CB 0.277 32.001 31.700 0.040 0.000 0.773 418 K N 1.436 121.890 120.400 0.090 0.000 3.349 418 K HA -0.239 4.081 4.320 -0.000 0.000 0.310 418 K C -0.299 176.370 176.600 0.114 0.000 1.267 418 K CA 1.290 57.630 56.287 0.088 0.000 0.920 418 K CB -0.855 31.673 32.500 0.046 0.000 1.240 418 K HN 0.488 nan 8.250 nan 0.000 0.453 419 K N 0.043 120.525 120.400 0.137 0.000 3.278 419 K HA 0.177 4.497 4.320 -0.000 0.000 0.200 419 K C 0.099 176.813 176.600 0.189 0.000 1.107 419 K CA -0.330 56.051 56.287 0.158 0.000 0.923 419 K CB 0.642 33.209 32.500 0.111 0.000 0.787 419 K HN 0.191 nan 8.250 nan 0.000 0.481 420 R N -0.577 120.065 120.500 0.237 0.000 2.509 420 R HA 0.210 4.550 4.340 -0.000 0.000 0.297 420 R C -0.338 176.032 176.300 0.116 0.000 0.951 420 R CA -0.283 55.903 56.100 0.144 0.000 1.103 420 R CB 0.321 30.669 30.300 0.080 0.000 1.283 420 R HN -0.009 nan 8.270 nan 0.000 0.534 421 Y N -0.098 120.429 120.300 0.377 0.000 2.409 421 Y HA 0.378 4.928 4.550 -0.000 0.000 0.343 421 Y C -0.731 175.591 175.900 0.704 0.000 0.973 421 Y CA -1.117 57.289 58.100 0.511 0.000 1.064 421 Y CB 1.397 40.206 38.460 0.582 0.000 1.207 421 Y HN -0.083 nan 8.280 nan 0.000 0.452 422 W N 4.575 126.077 121.300 0.337 0.000 2.573 422 W HA 0.572 5.232 4.660 -0.000 0.000 0.326 422 W C -1.267 175.270 176.519 0.031 0.000 1.049 422 W CA -1.236 56.263 57.345 0.256 0.000 1.220 422 W CB 1.488 31.172 29.460 0.374 0.000 1.373 422 W HN 0.233 nan 8.180 nan 0.000 0.507 423 L N 4.752 126.031 121.223 0.093 0.000 2.287 423 L HA 0.585 4.925 4.340 -0.000 0.000 0.287 423 L C -1.416 175.644 176.870 0.316 0.000 1.022 423 L CA -0.489 54.249 54.840 -0.170 0.000 0.814 423 L CB 0.143 41.799 42.059 -0.671 0.000 1.217 423 L HN 0.081 nan 8.230 nan 0.000 0.420 424 F N 4.924 124.908 119.950 0.058 0.000 2.391 424 F HA 0.547 5.074 4.527 -0.000 0.000 0.359 424 F C 0.278 176.107 175.800 0.049 0.000 1.122 424 F CA -0.805 57.289 58.000 0.156 0.000 1.120 424 F CB 0.988 39.967 39.000 -0.036 0.000 1.142 424 F HN 0.464 nan 8.300 nan 0.000 0.483 425 K N 1.557 122.146 120.400 0.315 0.000 2.422 425 K HA 0.800 5.120 4.320 -0.000 0.000 0.251 425 K C -0.403 176.305 176.600 0.180 0.000 0.933 425 K CA -0.619 55.774 56.287 0.175 0.000 0.798 425 K CB 2.509 35.083 32.500 0.123 0.000 1.238 425 K HN 0.836 nan 8.250 nan 0.000 0.428 426 G N 2.605 111.465 108.800 0.100 0.000 2.320 426 G HA2 0.201 4.161 3.960 -0.000 0.000 0.297 426 G HA3 0.201 4.161 3.960 -0.000 0.000 0.297 426 G C -3.306 171.609 174.900 0.026 0.000 1.344 426 G CA -0.952 44.196 45.100 0.080 0.000 0.851 426 G HN 0.368 nan 8.290 nan 0.000 0.567 427 P HA 0.423 nan 4.420 nan 0.000 0.277 427 P C 0.341 177.633 177.300 -0.014 0.000 1.276 427 P CA -0.591 62.500 63.100 -0.015 0.000 0.788 427 P CB 0.521 32.208 31.700 -0.020 0.000 1.114 428 I N 0.713 121.270 120.570 -0.021 0.000 2.752 428 I HA -0.092 4.078 4.170 -0.000 0.000 0.287 428 I C 0.255 176.361 176.117 -0.018 0.000 1.188 428 I CA 0.793 62.082 61.300 -0.018 0.000 1.427 428 I CB -0.443 37.545 38.000 -0.019 0.000 1.365 428 I HN 0.475 nan 8.210 nan 0.000 0.585 429 D N 3.598 123.987 120.400 -0.018 0.000 2.699 429 D HA -0.149 4.491 4.640 -0.000 0.000 0.239 429 D C 0.838 177.141 176.300 0.004 0.000 1.136 429 D CA 1.257 55.251 54.000 -0.011 0.000 0.668 429 D CB -0.974 39.816 40.800 -0.017 0.000 1.060 429 D HN 0.748 nan 8.370 nan 0.000 0.429 430 S N -1.982 113.723 115.700 0.008 0.000 2.559 430 S HA 0.458 4.928 4.470 -0.000 0.000 0.226 430 S C 1.606 176.280 174.600 0.123 0.000 1.000 430 S CA 0.565 58.798 58.200 0.054 0.000 0.948 430 S CB 1.486 64.734 63.200 0.081 0.000 0.870 430 S HN 0.966 nan 8.310 nan 0.000 0.497 431 G N 1.808 110.632 108.800 0.041 0.000 2.179 431 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.220 431 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.220 431 G C 0.757 175.514 174.900 -0.238 0.000 0.990 431 G CA 0.228 45.374 45.100 0.077 0.000 0.646 431 G HN 0.455 nan 8.290 nan 0.000 0.517 432 K N -0.143 119.900 120.400 -0.594 0.000 1.991 432 K HA -0.062 4.258 4.320 -0.000 0.000 0.212 432 K C 2.522 179.012 176.600 -0.182 0.000 1.049 432 K CA 1.922 57.739 56.287 -0.783 0.000 0.932 432 K CB -0.421 31.770 32.500 -0.515 0.000 0.717 432 K HN 0.286 nan 8.250 nan 0.000 0.441 433 T N 0.888 115.384 114.554 -0.097 0.000 2.821 433 T HA -0.108 4.242 4.350 -0.000 0.000 0.267 433 T C 1.930 176.636 174.700 0.009 0.000 1.046 433 T CA 1.691 63.779 62.100 -0.019 0.000 1.139 433 T CB -0.342 68.513 68.868 -0.021 0.000 0.871 433 T HN 0.297 nan 8.240 nan 0.000 0.454 434 T N 2.380 116.937 114.554 0.006 0.000 2.652 434 T HA -0.085 4.264 4.350 -0.000 0.000 0.267 434 T C 1.851 176.602 174.700 0.085 0.000 1.039 434 T CA 1.051 63.173 62.100 0.036 0.000 1.153 434 T CB -0.472 68.436 68.868 0.067 0.000 0.863 434 T HN 0.118 nan 8.240 nan 0.000 0.428 435 L N 1.074 122.374 121.223 0.128 0.000 2.109 435 L HA 0.229 4.569 4.340 -0.000 0.000 0.207 435 L C 2.582 179.573 176.870 0.202 0.000 1.086 435 L CA 1.624 56.574 54.840 0.184 0.000 0.760 435 L CB -1.006 41.193 42.059 0.232 0.000 0.910 435 L HN 0.223 nan 8.230 nan 0.000 0.437 436 A N -0.563 122.403 122.820 0.243 0.000 1.930 436 A HA -0.066 4.254 4.320 -0.000 0.000 0.217 436 A C 2.427 180.030 177.584 0.031 0.000 1.175 436 A CA 1.598 53.702 52.037 0.111 0.000 0.627 436 A CB -1.031 17.980 19.000 0.019 0.000 0.815 436 A HN 0.528 nan 8.150 nan 0.000 0.443 437 A N -0.192 122.653 122.820 0.043 0.000 1.930 437 A HA 0.207 4.527 4.320 -0.000 0.000 0.217 437 A C 2.467 180.079 177.584 0.046 0.000 1.175 437 A CA 1.913 53.969 52.037 0.032 0.000 0.627 437 A CB -0.880 18.134 19.000 0.024 0.000 0.815 437 A HN 0.981 nan 8.150 nan 0.000 0.443 438 A N -0.289 122.568 122.820 0.062 0.000 1.898 438 A HA 0.036 4.355 4.320 -0.000 0.000 0.216 438 A C 2.132 179.760 177.584 0.074 0.000 1.181 438 A CA 1.351 53.435 52.037 0.077 0.000 0.620 438 A CB -0.542 18.516 19.000 0.096 0.000 0.819 438 A HN 0.454 nan 8.150 nan 0.000 0.442 439 L N -0.973 120.276 121.223 0.044 0.000 2.093 439 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 439 L C 2.506 179.431 176.870 0.092 0.000 1.085 439 L CA 0.823 55.679 54.840 0.027 0.000 0.755 439 L CB -0.474 41.450 42.059 -0.225 0.000 0.904 439 L HN 0.442 nan 8.230 nan 0.000 0.435 440 L N 0.302 121.559 121.223 0.057 0.000 2.017 440 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 440 L C 2.458 179.375 176.870 0.079 0.000 1.073 440 L CA 1.913 56.795 54.840 0.071 0.000 0.745 440 L CB -0.559 41.520 42.059 0.033 0.000 0.894 440 L HN 0.292 nan 8.230 nan 0.000 0.432 441 E N -1.004 119.237 120.200 0.069 0.000 2.152 441 E HA -0.233 4.117 4.350 -0.000 0.000 0.192 441 E C 2.200 178.844 176.600 0.074 0.000 0.983 441 E CA 1.032 57.471 56.400 0.064 0.000 0.818 441 E CB -0.178 29.560 29.700 0.064 0.000 0.758 441 E HN 0.438 nan 8.360 nan 0.000 0.467 442 L N 0.440 121.721 121.223 0.097 0.000 2.046 442 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 442 L C 1.996 178.974 176.870 0.181 0.000 1.077 442 L CA 1.771 56.684 54.840 0.122 0.000 0.747 442 L CB -0.373 41.777 42.059 0.151 0.000 0.896 442 L HN 0.314 nan 8.230 nan 0.000 0.432 443 C N -0.110 119.280 119.300 0.150 0.000 2.674 443 C HA 0.644 5.104 4.460 -0.000 0.000 0.276 443 C C 1.169 176.135 174.990 -0.040 0.000 1.300 443 C CA -0.065 58.972 59.018 0.033 0.000 1.732 443 C CB -1.401 26.454 27.740 0.192 0.000 2.076 443 C HN 0.828 nan 8.230 nan 0.000 0.548 444 G N -0.138 108.693 108.800 0.052 0.000 2.879 444 G HA2 0.465 4.425 3.960 -0.000 0.000 0.686 444 G HA3 0.465 4.425 3.960 -0.000 0.000 0.686 444 G C -0.286 174.672 174.900 0.097 0.000 1.115 444 G CA -0.414 44.712 45.100 0.043 0.000 0.770 444 G HN 1.364 nan 8.290 nan 0.000 0.601 445 G N 1.261 110.097 108.800 0.060 0.000 2.344 445 G HA2 0.657 4.617 3.960 -0.000 0.000 0.282 445 G HA3 0.657 4.617 3.960 -0.000 0.000 0.282 445 G C -1.494 173.409 174.900 0.004 0.000 1.281 445 G CA -0.053 45.070 45.100 0.039 0.000 0.877 445 G HN 0.959 nan 8.290 nan 0.000 0.494 446 K N -0.453 119.930 120.400 -0.029 0.000 2.477 446 K HA 0.786 5.106 4.320 -0.000 0.000 0.255 446 K C -0.601 175.964 176.600 -0.059 0.000 0.952 446 K CA -0.428 55.839 56.287 -0.033 0.000 0.826 446 K CB 2.350 34.831 32.500 -0.031 0.000 1.331 446 K HN 1.123 nan 8.250 nan 0.000 0.437 447 A N 3.245 126.042 122.820 -0.039 0.000 2.276 447 A HA 0.646 4.966 4.320 -0.000 0.000 0.316 447 A C -0.444 177.116 177.584 -0.041 0.000 1.229 447 A CA -0.617 51.392 52.037 -0.048 0.000 0.851 447 A CB 0.146 19.137 19.000 -0.014 0.000 1.165 447 A HN 0.558 nan 8.150 nan 0.000 0.513 448 L N 2.398 123.571 121.223 -0.083 0.000 2.334 448 L HA 0.470 4.810 4.340 -0.000 0.000 0.276 448 L C 0.011 176.937 176.870 0.092 0.000 1.014 448 L CA -0.939 53.894 54.840 -0.012 0.000 0.815 448 L CB 1.681 43.690 42.059 -0.083 0.000 1.268 448 L HN 0.718 nan 8.230 nan 0.000 0.428 449 N N 1.936 120.703 118.700 0.110 0.000 2.511 449 N HA 0.219 4.959 4.740 -0.000 0.000 0.249 449 N C -0.157 175.427 175.510 0.123 0.000 0.971 449 N CA -0.327 52.789 53.050 0.110 0.000 0.938 449 N CB 1.963 40.488 38.487 0.063 0.000 1.131 449 N HN 0.481 nan 8.380 nan 0.000 0.505 450 V N 1.276 121.277 119.914 0.145 0.000 3.177 450 V HA 0.363 4.483 4.120 -0.000 0.000 0.342 450 V C 0.656 176.754 176.094 0.007 0.000 1.379 450 V CA -0.083 62.264 62.300 0.079 0.000 1.191 450 V CB -0.819 31.041 31.823 0.061 0.000 1.167 450 V HN 0.459 nan 8.190 nan 0.000 0.471 451 N N 0.507 119.214 118.700 0.010 0.000 2.424 451 N HA 0.303 5.043 4.740 -0.000 0.000 0.178 451 N C 0.554 176.051 175.510 -0.022 0.000 1.060 451 N CA -0.004 53.034 53.050 -0.020 0.000 0.901 451 N CB 0.167 38.646 38.487 -0.014 0.000 0.979 451 N HN 0.452 nan 8.380 nan 0.000 0.451 452 L N 1.378 122.595 121.223 -0.009 0.000 2.466 452 L HA 0.286 4.626 4.340 -0.000 0.000 0.257 452 L C -1.862 174.993 176.870 -0.026 0.000 1.189 452 L CA -1.892 52.938 54.840 -0.017 0.000 0.813 452 L CB -0.073 41.979 42.059 -0.012 0.000 1.118 452 L HN -0.178 nan 8.230 nan 0.000 0.471 453 P HA -0.096 nan 4.420 nan 0.000 0.269 453 P C 0.471 177.750 177.300 -0.034 0.000 1.205 453 P CA -0.194 62.883 63.100 -0.038 0.000 0.780 453 P CB 0.358 32.032 31.700 -0.043 0.000 0.858 454 L N 0.954 122.157 121.223 -0.034 0.000 2.376 454 L HA -0.070 4.270 4.340 -0.000 0.000 0.219 454 L C 1.333 178.200 176.870 -0.005 0.000 1.133 454 L CA 1.540 56.365 54.840 -0.025 0.000 0.816 454 L CB -1.605 40.434 42.059 -0.034 0.000 0.933 454 L HN 0.362 nan 8.230 nan 0.000 0.449 455 D N 1.024 121.410 120.400 -0.023 0.000 2.137 455 D HA -0.212 4.428 4.640 -0.000 0.000 0.189 455 D C 1.630 177.915 176.300 -0.024 0.000 0.998 455 D CA 1.561 55.543 54.000 -0.029 0.000 0.839 455 D CB -0.058 40.697 40.800 -0.075 0.000 0.962 455 D HN 0.089 nan 8.370 nan 0.000 0.446 456 R N -0.039 120.393 120.500 -0.113 0.000 2.449 456 R HA 0.232 4.572 4.340 -0.000 0.000 0.262 456 R C 1.184 177.552 176.300 0.113 0.000 1.006 456 R CA -0.131 55.863 56.100 -0.176 0.000 1.104 456 R CB -0.346 29.715 30.300 -0.399 0.000 1.206 456 R HN 0.131 nan 8.270 nan 0.000 0.538 457 L N 0.262 121.550 121.223 0.109 0.000 2.046 457 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 457 L C 0.876 177.839 176.870 0.156 0.000 1.077 457 L CA 1.898 56.794 54.840 0.093 0.000 0.747 457 L CB -0.262 41.808 42.059 0.019 0.000 0.896 457 L HN 0.164 nan 8.230 nan 0.000 0.432 458 N N -1.275 117.552 118.700 0.212 0.000 2.244 458 N HA -0.158 4.582 4.740 -0.000 0.000 0.183 458 N C 1.545 177.166 175.510 0.184 0.000 1.016 458 N CA 1.504 54.656 53.050 0.169 0.000 0.866 458 N CB -0.347 38.205 38.487 0.108 0.000 0.980 458 N HN 0.254 nan 8.380 nan 0.000 0.430 459 F N 0.916 120.895 119.950 0.048 0.000 2.102 459 F HA -0.079 4.448 4.527 -0.000 0.000 0.298 459 F C 2.473 178.313 175.800 0.067 0.000 1.105 459 F CA 0.990 59.020 58.000 0.051 0.000 1.239 459 F CB -0.666 38.353 39.000 0.032 0.000 0.991 459 F HN 0.035 nan 8.300 nan 0.000 0.474 460 E N 0.717 121.084 120.200 0.279 0.000 2.072 460 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 460 E C 2.094 178.812 176.600 0.196 0.000 0.985 460 E CA 1.190 57.705 56.400 0.191 0.000 0.801 460 E CB -0.484 29.308 29.700 0.154 0.000 0.750 460 E HN 0.389 nan 8.360 nan 0.000 0.452 461 L N -0.448 120.907 121.223 0.220 0.000 2.191 461 L HA -0.044 4.296 4.340 -0.000 0.000 0.212 461 L C 2.371 179.425 176.870 0.308 0.000 1.103 461 L CA 0.993 56.017 54.840 0.308 0.000 0.769 461 L CB -0.585 41.638 42.059 0.273 0.000 0.908 461 L HN 0.299 nan 8.230 nan 0.000 0.438 462 G N -0.563 108.353 108.800 0.193 0.000 2.509 462 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.218 462 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.218 462 G C 1.536 176.501 174.900 0.108 0.000 1.124 462 G CA 0.478 45.655 45.100 0.129 0.000 0.776 462 G HN 0.219 nan 8.290 nan 0.000 0.547 463 V N 1.148 121.132 119.914 0.117 0.000 2.720 463 V HA -0.093 4.027 4.120 -0.000 0.000 0.256 463 V C 3.086 179.205 176.094 0.043 0.000 1.082 463 V CA 1.605 63.950 62.300 0.075 0.000 1.101 463 V CB -0.440 31.427 31.823 0.074 0.000 0.693 463 V HN 0.445 nan 8.190 nan 0.000 0.479 464 A N -0.515 122.344 122.820 0.064 0.000 2.209 464 A HA 0.111 4.431 4.320 -0.000 0.000 0.212 464 A C 1.079 178.615 177.584 -0.081 0.000 1.158 464 A CA 0.140 52.140 52.037 -0.062 0.000 0.742 464 A CB -0.544 18.350 19.000 -0.176 0.000 0.790 464 A HN 0.508 nan 8.150 nan 0.000 0.472 465 I N 1.279 121.847 120.570 -0.003 0.000 2.821 465 I HA -0.098 4.072 4.170 -0.000 0.000 0.294 465 I C 0.064 176.162 176.117 -0.031 0.000 1.210 465 I CA 0.444 61.737 61.300 -0.011 0.000 1.430 465 I CB 0.093 38.101 38.000 0.013 0.000 1.356 465 I HN 0.326 nan 8.210 nan 0.000 0.563 466 D N 3.128 123.503 120.400 -0.043 0.000 3.059 466 D HA -0.167 4.473 4.640 -0.000 0.000 0.220 466 D C 0.069 176.351 176.300 -0.030 0.000 1.169 466 D CA 0.909 54.889 54.000 -0.034 0.000 0.902 466 D CB -0.566 40.225 40.800 -0.015 0.000 1.116 466 D HN 0.500 nan 8.370 nan 0.000 0.417 467 Q N -0.865 118.896 119.800 -0.064 0.000 2.259 467 Q HA 0.287 4.627 4.340 -0.000 0.000 0.246 467 Q C 1.067 177.045 176.000 -0.037 0.000 0.920 467 Q CA -0.449 55.329 55.803 -0.042 0.000 0.895 467 Q CB 0.649 29.337 28.738 -0.083 0.000 1.220 467 Q HN 0.142 nan 8.270 nan 0.000 0.439 468 F N 2.333 122.218 119.950 -0.109 0.000 2.146 468 F HA -0.102 4.425 4.527 -0.000 0.000 0.298 468 F C 0.373 176.085 175.800 -0.146 0.000 1.096 468 F CA 0.811 58.742 58.000 -0.115 0.000 1.275 468 F CB 0.425 39.373 39.000 -0.087 0.000 1.008 468 F HN 0.514 nan 8.300 nan 0.000 0.480 469 L N -1.796 119.397 121.223 -0.050 0.000 2.600 469 L HA 0.704 5.044 4.340 -0.000 0.000 0.257 469 L C -1.158 175.636 176.870 -0.127 0.000 1.048 469 L CA -1.616 53.125 54.840 -0.165 0.000 0.869 469 L CB 1.593 43.619 42.059 -0.054 0.000 1.482 469 L HN -0.178 nan 8.230 nan 0.000 0.408 470 V N -1.622 118.198 119.914 -0.156 0.000 3.007 470 V HA 0.935 5.055 4.120 -0.000 0.000 0.311 470 V C -1.030 174.991 176.094 -0.122 0.000 1.120 470 V CA -0.766 61.433 62.300 -0.169 0.000 0.980 470 V CB 1.857 33.510 31.823 -0.283 0.000 1.033 470 V HN 0.733 nan 8.190 nan 0.000 0.429 471 V N 3.523 123.341 119.914 -0.159 0.000 2.378 471 V HA 0.499 4.618 4.120 -0.000 0.000 0.288 471 V C -0.823 175.193 176.094 -0.130 0.000 1.016 471 V CA -0.163 62.087 62.300 -0.083 0.000 0.840 471 V CB 1.321 33.110 31.823 -0.057 0.000 0.994 471 V HN 0.768 nan 8.190 nan 0.000 0.431 472 F N 3.157 123.190 119.950 0.139 0.000 2.368 472 F HA 0.370 4.897 4.527 -0.000 0.000 0.362 472 F C 0.960 176.788 175.800 0.047 0.000 1.137 472 F CA -0.193 57.870 58.000 0.105 0.000 1.161 472 F CB 0.549 39.621 39.000 0.119 0.000 1.265 472 F HN 0.413 nan 8.300 nan 0.000 0.530 473 E N 2.906 123.199 120.200 0.155 0.000 2.313 473 E HA 0.001 4.351 4.350 -0.000 0.000 0.276 473 E C 0.002 176.652 176.600 0.084 0.000 1.031 473 E CA -0.007 56.446 56.400 0.088 0.000 0.857 473 E CB 0.715 30.443 29.700 0.047 0.000 1.040 473 E HN 0.492 nan 8.360 nan 0.000 0.408 474 D N 1.933 122.372 120.400 0.064 0.000 2.802 474 D HA -0.167 4.473 4.640 -0.000 0.000 0.229 474 D C -0.829 175.499 176.300 0.048 0.000 1.203 474 D CA 0.381 54.416 54.000 0.060 0.000 0.712 474 D CB -0.608 40.221 40.800 0.050 0.000 0.973 474 D HN 0.065 nan 8.370 nan 0.000 0.407 475 V N 2.966 122.905 119.914 0.041 0.000 2.479 475 V HA 0.018 4.138 4.120 -0.000 0.000 0.281 475 V C 1.141 177.150 176.094 -0.142 0.000 1.031 475 V CA 0.017 62.304 62.300 -0.023 0.000 1.038 475 V CB 1.176 32.991 31.823 -0.013 0.000 0.981 475 V HN 0.037 nan 8.190 nan 0.000 0.478 476 K N 4.006 124.266 120.400 -0.234 0.000 2.205 476 K HA 0.543 4.863 4.320 -0.000 0.000 0.279 476 K C 0.496 176.677 176.600 -0.698 0.000 1.027 476 K CA 0.009 55.974 56.287 -0.536 0.000 0.932 476 K CB 1.953 34.284 32.500 -0.282 0.000 1.032 476 K HN 0.828 nan 8.250 nan 0.000 0.466 477 G N 0.837 108.796 108.800 -1.401 0.000 3.211 477 G HA2 0.536 4.496 3.960 -0.000 0.000 0.167 477 G HA3 0.536 4.496 3.960 -0.000 0.000 0.167 477 G C -0.483 174.221 174.900 -0.328 0.000 1.212 477 G CA -0.243 44.444 45.100 -0.689 0.000 0.928 477 G HN 0.583 nan 8.290 nan 0.000 0.607 478 T N -5.072 109.495 114.554 0.021 0.000 2.716 478 T HA 0.533 4.883 4.350 -0.000 0.000 0.286 478 T C 0.832 175.654 174.700 0.203 0.000 1.052 478 T CA 0.461 62.637 62.100 0.127 0.000 1.024 478 T CB 1.201 70.091 68.868 0.038 0.000 1.349 478 T HN 2.304 nan 8.240 nan 0.000 0.525 479 G N -0.679 108.196 108.800 0.124 0.000 2.323 479 G HA2 0.087 4.047 3.960 -0.000 0.000 0.292 479 G HA3 0.087 4.047 3.960 -0.000 0.000 0.292 479 G C 0.613 175.561 174.900 0.079 0.000 1.040 479 G CA 0.229 45.380 45.100 0.086 0.000 0.942 479 G HN 1.619 nan 8.290 nan 0.000 0.506 480 G N -1.235 107.613 108.800 0.080 0.000 3.839 480 G HA2 0.476 4.436 3.960 -0.000 0.000 0.286 480 G HA3 0.476 4.436 3.960 -0.000 0.000 0.286 480 G C 0.778 175.650 174.900 -0.047 0.000 1.005 480 G CA 0.746 45.819 45.100 -0.046 0.000 0.824 480 G HN 0.392 nan 8.290 nan 0.000 0.489 481 E N 1.014 121.214 120.200 -0.000 0.000 2.153 481 E HA -0.137 4.213 4.350 -0.000 0.000 0.194 481 E C 2.673 179.261 176.600 -0.021 0.000 0.988 481 E CA 1.396 57.794 56.400 -0.003 0.000 0.811 481 E CB -0.072 29.633 29.700 0.009 0.000 0.746 481 E HN 0.472 nan 8.360 nan 0.000 0.466 482 S N 0.208 115.893 115.700 -0.025 0.000 2.447 482 S HA -0.055 4.415 4.470 -0.000 0.000 0.233 482 S C 1.618 176.192 174.600 -0.044 0.000 1.006 482 S CA 0.482 58.665 58.200 -0.028 0.000 0.957 482 S CB 0.024 63.210 63.200 -0.024 0.000 0.773 482 S HN 0.061 nan 8.310 nan 0.000 0.507 483 R N 1.052 121.511 120.500 -0.069 0.000 2.334 483 R HA 0.199 4.539 4.340 -0.000 0.000 0.216 483 R C -0.416 175.831 176.300 -0.088 0.000 0.905 483 R CA 0.348 56.393 56.100 -0.092 0.000 1.064 483 R CB -0.640 29.570 30.300 -0.149 0.000 1.046 483 R HN 0.374 nan 8.270 nan 0.000 0.508 484 D N 1.041 121.404 120.400 -0.063 0.000 2.800 484 D HA -0.167 4.473 4.640 -0.000 0.000 0.232 484 D C -0.673 175.597 176.300 -0.051 0.000 1.137 484 D CA 0.794 54.768 54.000 -0.043 0.000 0.718 484 D CB -1.224 39.555 40.800 -0.035 0.000 1.084 484 D HN 0.235 nan 8.370 nan 0.000 0.432 485 L N 0.353 121.528 121.223 -0.079 0.000 2.287 485 L HA 0.403 4.743 4.340 -0.000 0.000 0.287 485 L C -2.015 174.904 176.870 0.082 0.000 1.022 485 L CA -1.733 53.058 54.840 -0.082 0.000 0.814 485 L CB 1.346 43.146 42.059 -0.433 0.000 1.217 485 L HN -0.332 nan 8.230 nan 0.000 0.420 486 P HA 0.073 nan 4.420 nan 0.000 0.266 486 P C -0.469 176.957 177.300 0.210 0.000 1.195 486 P CA 0.063 63.244 63.100 0.135 0.000 0.768 486 P CB 0.731 32.487 31.700 0.094 0.000 0.838 487 S N 0.689 116.464 115.700 0.126 0.000 2.603 487 S HA 0.677 5.147 4.470 -0.000 0.000 0.268 487 S C 0.506 175.101 174.600 -0.009 0.000 1.317 487 S CA 0.198 58.445 58.200 0.079 0.000 1.012 487 S CB 0.782 64.013 63.200 0.050 0.000 0.926 487 S HN 0.694 nan 8.310 nan 0.000 0.539 488 G N 0.128 108.873 108.800 -0.091 0.000 2.645 488 G HA2 0.432 4.392 3.960 -0.000 0.000 0.292 488 G HA3 0.432 4.392 3.960 -0.000 0.000 0.292 488 G C -0.888 173.937 174.900 -0.125 0.000 1.415 488 G CA -0.447 44.589 45.100 -0.107 0.000 0.785 488 G HN 0.453 nan 8.290 nan 0.000 0.483 489 Q N -0.159 119.577 119.800 -0.106 0.000 2.247 489 Q HA 0.162 4.502 4.340 -0.000 0.000 0.211 489 Q C 2.130 178.058 176.000 -0.120 0.000 0.861 489 Q CA 0.555 56.297 55.803 -0.102 0.000 0.949 489 Q CB 0.997 29.689 28.738 -0.076 0.000 1.115 489 Q HN 0.722 nan 8.270 nan 0.000 0.507 490 G N 1.996 110.714 108.800 -0.136 0.000 2.529 490 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.219 490 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.219 490 G C 1.408 176.216 174.900 -0.154 0.000 1.177 490 G CA 0.829 45.850 45.100 -0.133 0.000 0.773 490 G HN 0.448 nan 8.290 nan 0.000 0.573 491 I N 0.232 120.703 120.570 -0.164 0.000 2.226 491 I HA -0.171 3.999 4.170 -0.000 0.000 0.245 491 I C 2.349 178.387 176.117 -0.132 0.000 1.100 491 I CA 1.719 62.939 61.300 -0.134 0.000 1.374 491 I CB -0.351 37.581 38.000 -0.113 0.000 1.057 491 I HN 0.234 nan 8.210 nan 0.000 0.413 492 N N 0.955 119.582 118.700 -0.123 0.000 2.104 492 N HA -0.221 4.519 4.740 -0.000 0.000 0.190 492 N C 1.525 176.953 175.510 -0.136 0.000 1.024 492 N CA 1.858 54.841 53.050 -0.111 0.000 0.853 492 N CB -0.254 38.178 38.487 -0.092 0.000 1.008 492 N HN 0.524 nan 8.380 nan 0.000 0.424 493 N N 0.768 119.378 118.700 -0.149 0.000 2.120 493 N HA -0.090 4.650 4.740 -0.000 0.000 0.188 493 N C 1.712 177.072 175.510 -0.250 0.000 1.024 493 N CA 0.625 53.568 53.050 -0.178 0.000 0.852 493 N CB -0.032 38.360 38.487 -0.157 0.000 1.003 493 N HN 0.154 nan 8.380 nan 0.000 0.424 494 L N 0.674 121.730 121.223 -0.279 0.000 2.046 494 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 494 L C 1.910 178.596 176.870 -0.307 0.000 1.077 494 L CA 1.221 55.836 54.840 -0.376 0.000 0.747 494 L CB -0.371 41.471 42.059 -0.361 0.000 0.896 494 L HN 0.186 nan 8.230 nan 0.000 0.432 495 D N -0.122 120.145 120.400 -0.221 0.000 2.263 495 D HA -0.167 4.473 4.640 -0.000 0.000 0.208 495 D C 1.610 177.806 176.300 -0.174 0.000 0.971 495 D CA 0.757 54.646 54.000 -0.184 0.000 0.867 495 D CB 0.104 40.824 40.800 -0.134 0.000 0.929 495 D HN 0.167 nan 8.370 nan 0.000 0.492 496 N N -0.359 118.227 118.700 -0.189 0.000 2.398 496 N HA 0.059 4.799 4.740 -0.000 0.000 0.188 496 N C 0.251 175.633 175.510 -0.213 0.000 1.122 496 N CA 0.217 53.166 53.050 -0.169 0.000 0.866 496 N CB 0.490 38.884 38.487 -0.155 0.000 0.970 496 N HN 0.325 nan 8.380 nan 0.000 0.462 497 L N 0.339 121.394 121.223 -0.281 0.000 3.141 497 L HA 0.318 4.658 4.340 -0.000 0.000 0.267 497 L C 1.426 178.193 176.870 -0.171 0.000 1.281 497 L CA -0.152 54.482 54.840 -0.343 0.000 1.037 497 L CB 0.400 42.077 42.059 -0.637 0.000 1.407 497 L HN -0.139 nan 8.230 nan 0.000 0.566 498 R N 0.805 121.229 120.500 -0.127 0.000 2.117 498 R HA -0.189 4.151 4.340 -0.000 0.000 0.243 498 R C 1.703 177.990 176.300 -0.022 0.000 1.143 498 R CA 1.936 57.976 56.100 -0.101 0.000 0.968 498 R CB -0.269 29.976 30.300 -0.091 0.000 0.863 498 R HN 0.519 nan 8.270 nan 0.000 0.444 499 D N -0.243 120.184 120.400 0.045 0.000 2.264 499 D HA -0.185 4.455 4.640 -0.000 0.000 0.208 499 D C 1.417 177.756 176.300 0.066 0.000 0.966 499 D CA 1.194 55.227 54.000 0.054 0.000 0.864 499 D CB -0.402 40.426 40.800 0.046 0.000 0.933 499 D HN 0.258 nan 8.370 nan 0.000 0.499 500 Y N 0.982 121.199 120.300 -0.140 0.000 2.184 500 Y HA 0.099 4.649 4.550 -0.000 0.000 0.290 500 Y C 2.620 178.533 175.900 0.021 0.000 1.129 500 Y CA 0.571 58.559 58.100 -0.187 0.000 1.144 500 Y CB -0.556 37.530 38.460 -0.624 0.000 0.995 500 Y HN -0.086 nan 8.280 nan 0.000 0.513 501 L N -0.554 120.709 121.223 0.067 0.000 2.093 501 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 501 L C 1.867 178.832 176.870 0.158 0.000 1.085 501 L CA 1.251 56.092 54.840 0.002 0.000 0.755 501 L CB -0.549 41.330 42.059 -0.300 0.000 0.904 501 L HN 0.139 nan 8.230 nan 0.000 0.435 502 D N 0.659 121.109 120.400 0.083 0.000 2.104 502 D HA -0.116 4.524 4.640 -0.000 0.000 0.194 502 D C 1.699 178.070 176.300 0.119 0.000 0.994 502 D CA 1.562 55.612 54.000 0.083 0.000 0.830 502 D CB -0.353 40.468 40.800 0.034 0.000 0.959 502 D HN 0.382 nan 8.370 nan 0.000 0.452 503 G N -0.265 108.611 108.800 0.126 0.000 2.176 503 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.252 503 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.252 503 G C 1.133 176.065 174.900 0.053 0.000 1.024 503 G CA 0.840 46.006 45.100 0.109 0.000 0.755 503 G HN 0.336 nan 8.290 nan 0.000 0.507 504 S N -1.640 114.081 115.700 0.036 0.000 2.398 504 S HA 0.335 4.805 4.470 -0.000 0.000 0.220 504 S C 1.409 176.011 174.600 0.003 0.000 1.046 504 S CA 0.970 59.181 58.200 0.018 0.000 0.953 504 S CB 0.197 63.405 63.200 0.014 0.000 0.856 504 S HN 1.471 nan 8.310 nan 0.000 0.506 505 V N 0.713 120.624 119.914 -0.005 0.000 2.834 505 V HA 0.561 4.681 4.120 -0.000 0.000 0.313 505 V C -0.581 175.492 176.094 -0.035 0.000 1.060 505 V CA -1.215 61.074 62.300 -0.018 0.000 0.989 505 V CB 1.060 32.870 31.823 -0.021 0.000 1.041 505 V HN 0.082 nan 8.190 nan 0.000 0.459 506 K N 1.812 122.188 120.400 -0.039 0.000 2.270 506 K HA 0.568 4.888 4.320 -0.000 0.000 0.276 506 K C -0.188 176.354 176.600 -0.096 0.000 1.023 506 K CA -0.337 55.917 56.287 -0.055 0.000 0.955 506 K CB 1.610 34.087 32.500 -0.039 0.000 0.975 506 K HN 0.849 nan 8.250 nan 0.000 0.471 507 V N -0.763 119.055 119.914 -0.160 0.000 3.093 507 V HA 0.427 4.547 4.120 -0.000 0.000 0.320 507 V C -0.534 175.472 176.094 -0.147 0.000 1.093 507 V CA -1.136 61.004 62.300 -0.267 0.000 1.016 507 V CB 1.748 33.101 31.823 -0.783 0.000 1.096 507 V HN 0.638 nan 8.190 nan 0.000 0.452 508 N N 2.337 120.980 118.700 -0.095 0.000 2.511 508 N HA 0.524 5.264 4.740 -0.000 0.000 0.249 508 N C -0.980 174.553 175.510 0.038 0.000 0.971 508 N CA -0.161 52.880 53.050 -0.015 0.000 0.938 508 N CB 1.619 40.107 38.487 0.001 0.000 1.131 508 N HN 0.637 nan 8.380 nan 0.000 0.505 509 L N 1.579 122.831 121.223 0.048 0.000 2.322 509 L HA 0.475 4.815 4.340 -0.000 0.000 0.279 509 L C 0.588 177.479 176.870 0.035 0.000 1.036 509 L CA -0.748 54.147 54.840 0.091 0.000 0.807 509 L CB 1.105 43.243 42.059 0.133 0.000 1.226 509 L HN 0.498 nan 8.230 nan 0.000 0.433 510 E N 1.190 121.394 120.200 0.007 0.000 2.317 510 E HA 0.459 4.809 4.350 -0.000 0.000 0.270 510 E C -1.331 175.208 176.600 -0.103 0.000 0.885 510 E CA -1.031 55.333 56.400 -0.061 0.000 0.760 510 E CB 2.136 31.765 29.700 -0.118 0.000 1.227 510 E HN 0.416 nan 8.360 nan 0.000 0.434 511 K N 2.325 122.671 120.400 -0.090 0.000 3.084 511 K HA 0.206 4.526 4.320 -0.000 0.000 0.210 511 K C -0.702 175.851 176.600 -0.080 0.000 1.137 511 K CA -0.671 55.572 56.287 -0.073 0.000 1.010 511 K CB 0.384 32.882 32.500 -0.003 0.000 0.806 511 K HN 0.433 nan 8.250 nan 0.000 0.460 512 K N 0.243 120.518 120.400 -0.208 0.000 1.399 512 K HA -0.221 4.099 4.320 -0.000 0.000 0.733 512 K C 0.289 176.909 176.600 0.033 0.000 1.997 512 K CA 1.408 57.603 56.287 -0.153 0.000 1.105 512 K CB -0.853 31.617 32.500 -0.051 0.000 2.031 512 K HN 0.841 nan 8.250 nan 0.000 0.456 513 H N 1.444 120.490 119.070 -0.040 0.000 2.933 513 H HA 0.309 4.865 4.556 -0.000 0.000 0.306 513 H C 1.261 176.582 175.328 -0.011 0.000 1.142 513 H CA -0.048 55.988 56.048 -0.019 0.000 1.193 513 H CB -0.276 29.485 29.762 -0.002 0.000 1.330 513 H HN 0.240 nan 8.280 nan 0.000 0.585 514 L N -0.340 120.965 121.223 0.137 0.000 2.777 514 L HA 0.210 4.550 4.340 -0.000 0.000 0.172 514 L C 0.544 177.426 176.870 0.020 0.000 1.179 514 L CA -0.090 54.779 54.840 0.048 0.000 0.859 514 L CB 0.334 42.435 42.059 0.069 0.000 1.269 514 L HN 0.305 nan 8.230 nan 0.000 0.511 515 N N 0.305 119.016 118.700 0.018 0.000 2.500 515 N HA 0.289 5.029 4.740 -0.000 0.000 0.291 515 N C -1.430 174.080 175.510 0.000 0.000 1.092 515 N CA -0.364 52.691 53.050 0.007 0.000 0.890 515 N CB 1.640 40.131 38.487 0.007 0.000 1.466 515 N HN 0.046 nan 8.380 nan 0.000 0.507 516 K N 2.075 122.475 120.400 -0.001 0.000 2.208 516 K HA 0.556 4.876 4.320 -0.000 0.000 0.247 516 K C -0.821 175.778 176.600 -0.000 0.000 0.953 516 K CA -0.727 55.557 56.287 -0.004 0.000 0.837 516 K CB 2.418 34.914 32.500 -0.007 0.000 1.131 516 K HN 0.468 nan 8.250 nan 0.000 0.431 517 R N 0.895 121.397 120.500 0.002 0.000 2.633 517 R HA 0.166 4.506 4.340 -0.000 0.000 0.256 517 R C -1.650 174.650 176.300 -0.001 0.000 1.131 517 R CA -0.351 55.749 56.100 0.001 0.000 0.994 517 R CB 1.854 32.155 30.300 0.001 0.000 1.261 517 R HN 0.589 nan 8.270 nan 0.000 0.446 518 T N 4.691 119.239 114.554 -0.009 0.000 2.733 518 T HA 0.349 4.698 4.350 -0.000 0.000 0.294 518 T C -0.932 173.756 174.700 -0.020 0.000 0.956 518 T CA -0.309 61.781 62.100 -0.018 0.000 0.987 518 T CB 1.077 69.934 68.868 -0.018 0.000 0.920 518 T HN 0.589 nan 8.240 nan 0.000 0.470 519 Q N 2.485 122.270 119.800 -0.025 0.000 2.630 519 Q HA 0.557 4.897 4.340 -0.000 0.000 0.295 519 Q C -1.010 174.975 176.000 -0.024 0.000 0.944 519 Q CA -1.118 54.670 55.803 -0.025 0.000 0.766 519 Q CB 1.300 30.024 28.738 -0.024 0.000 1.471 519 Q HN 0.628 nan 8.270 nan 0.000 0.416 520 I N 1.595 122.152 120.570 -0.022 0.000 2.556 520 I HA 0.239 4.409 4.170 -0.000 0.000 0.284 520 I C -0.838 175.297 176.117 0.031 0.000 1.114 520 I CA -0.526 60.774 61.300 -0.001 0.000 1.418 520 I CB 0.358 38.351 38.000 -0.011 0.000 1.394 520 I HN 0.721 nan 8.210 nan 0.000 0.552 521 F N 9.701 129.606 119.950 -0.075 0.000 2.518 521 F HA 0.372 4.899 4.527 -0.000 0.000 0.359 521 F C -1.996 173.831 175.800 0.045 0.000 1.118 521 F CA -1.769 56.226 58.000 -0.008 0.000 1.287 521 F CB 0.152 39.172 39.000 0.033 0.000 1.132 521 F HN 0.403 nan 8.300 nan 0.000 0.587 522 P HA 0.125 nan 4.420 nan 0.000 0.269 522 P C -2.541 174.656 177.300 -0.173 0.000 1.215 522 P CA -0.734 62.128 63.100 -0.396 0.000 0.780 522 P CB 0.131 31.530 31.700 -0.502 0.000 0.898 523 P HA 0.409 nan 4.420 nan 0.000 0.293 523 P C -0.104 176.760 177.300 -0.727 0.000 1.304 523 P CA 0.068 62.900 63.100 -0.447 0.000 0.767 523 P CB 1.031 32.484 31.700 -0.410 0.000 1.247 524 G N -1.250 106.811 108.800 -1.232 0.000 2.452 524 G HA2 0.397 4.357 3.960 -0.000 0.000 0.224 524 G HA3 0.397 4.357 3.960 -0.000 0.000 0.224 524 G C -1.769 172.996 174.900 -0.225 0.000 1.208 524 G CA -0.569 44.181 45.100 -0.584 0.000 0.946 524 G HN 0.451 nan 8.290 nan 0.000 0.481 525 I N -0.163 120.471 120.570 0.107 0.000 2.828 525 I HA 0.654 4.824 4.170 -0.000 0.000 0.302 525 I C -0.765 175.516 176.117 0.273 0.000 1.101 525 I CA -1.226 60.130 61.300 0.092 0.000 1.031 525 I CB 2.527 40.317 38.000 -0.350 0.000 1.231 525 I HN 0.294 nan 8.210 nan 0.000 0.427 526 V N 2.412 122.403 119.914 0.129 0.000 2.531 526 V HA 0.533 4.653 4.120 -0.000 0.000 0.301 526 V C -0.241 175.829 176.094 -0.040 0.000 1.034 526 V CA -0.482 61.904 62.300 0.143 0.000 0.865 526 V CB 2.140 34.026 31.823 0.104 0.000 0.995 526 V HN 0.882 nan 8.190 nan 0.000 0.424 527 T N 3.474 118.038 114.554 0.016 0.000 2.856 527 T HA 0.926 5.276 4.350 -0.000 0.000 0.283 527 T C -0.681 174.054 174.700 0.057 0.000 1.008 527 T CA -0.682 61.435 62.100 0.028 0.000 0.997 527 T CB 1.856 70.732 68.868 0.014 0.000 0.992 527 T HN 0.887 nan 8.240 nan 0.000 0.454 528 M N 1.090 120.736 119.600 0.076 0.000 2.732 528 M HA 0.499 4.979 4.480 -0.000 0.000 0.272 528 M C -1.382 175.003 176.300 0.142 0.000 1.203 528 M CA -0.913 54.462 55.300 0.126 0.000 0.841 528 M CB 1.481 34.167 32.600 0.143 0.000 1.685 528 M HN 0.420 nan 8.290 nan 0.000 0.492 529 N N 0.613 119.445 118.700 0.220 0.000 2.441 529 N HA 0.101 4.841 4.740 -0.000 0.000 0.225 529 N C -0.786 174.704 175.510 -0.033 0.000 1.208 529 N CA 0.163 53.261 53.050 0.081 0.000 0.847 529 N CB 0.029 38.533 38.487 0.027 0.000 1.121 529 N HN 0.808 nan 8.380 nan 0.000 0.479 530 E N -0.412 119.827 120.200 0.065 0.000 2.358 530 E HA -0.241 4.109 4.350 -0.000 0.000 0.246 530 E C -1.047 175.532 176.600 -0.034 0.000 1.127 530 E CA 0.151 56.559 56.400 0.014 0.000 0.726 530 E CB -1.081 28.597 29.700 -0.037 0.000 1.272 530 E HN 0.413 nan 8.360 nan 0.000 0.390 531 Y N -0.111 120.202 120.300 0.022 0.000 2.418 531 Y HA 0.402 4.952 4.550 -0.000 0.000 0.327 531 Y C 1.273 177.188 175.900 0.025 0.000 1.309 531 Y CA 0.051 58.162 58.100 0.019 0.000 1.423 531 Y CB 0.837 39.306 38.460 0.016 0.000 1.423 531 Y HN 0.196 nan 8.280 nan 0.000 0.532 532 S N 0.095 115.918 115.700 0.206 0.000 2.580 532 S HA 0.543 5.013 4.470 -0.000 0.000 0.274 532 S C -0.871 173.800 174.600 0.118 0.000 1.329 532 S CA -0.766 57.507 58.200 0.121 0.000 1.036 532 S CB 0.785 64.037 63.200 0.085 0.000 0.919 532 S HN 0.347 nan 8.310 nan 0.000 0.515 533 V N 3.898 123.873 119.914 0.102 0.000 2.444 533 V HA 0.412 4.532 4.120 -0.000 0.000 0.294 533 V C -2.300 173.834 176.094 0.066 0.000 1.022 533 V CA -1.819 60.545 62.300 0.106 0.000 0.850 533 V CB 1.069 32.998 31.823 0.176 0.000 0.992 533 V HN 0.825 nan 8.190 nan 0.000 0.426 534 P HA 0.122 nan 4.420 nan 0.000 0.266 534 P C 0.816 178.112 177.300 -0.006 0.000 1.195 534 P CA -0.372 62.729 63.100 0.002 0.000 0.768 534 P CB 0.524 32.209 31.700 -0.025 0.000 0.838 535 K N 0.787 121.182 120.400 -0.008 0.000 2.152 535 K HA -0.186 4.134 4.320 -0.000 0.000 0.206 535 K C 1.318 177.891 176.600 -0.046 0.000 1.048 535 K CA 2.054 58.333 56.287 -0.013 0.000 0.933 535 K CB -1.250 31.244 32.500 -0.009 0.000 0.721 535 K HN 0.494 nan 8.250 nan 0.000 0.447 536 T N 0.098 114.616 114.554 -0.059 0.000 2.788 536 T HA -0.141 4.209 4.350 -0.000 0.000 0.268 536 T C 1.834 176.446 174.700 -0.147 0.000 1.044 536 T CA 1.046 63.094 62.100 -0.087 0.000 1.139 536 T CB -0.280 68.540 68.868 -0.080 0.000 0.867 536 T HN 0.185 nan 8.240 nan 0.000 0.454 537 L N 0.980 122.104 121.223 -0.164 0.000 2.095 537 L HA 0.212 4.552 4.340 -0.000 0.000 0.204 537 L C 2.698 179.290 176.870 -0.463 0.000 1.080 537 L CA 1.649 56.309 54.840 -0.300 0.000 0.759 537 L CB -1.157 40.787 42.059 -0.192 0.000 0.914 537 L HN 0.187 nan 8.230 nan 0.000 0.439 538 Q N 0.033 119.726 119.800 -0.178 0.000 2.181 538 Q HA -0.150 4.190 4.340 -0.000 0.000 0.205 538 Q C 2.049 177.987 176.000 -0.104 0.000 0.980 538 Q CA 1.822 57.609 55.803 -0.027 0.000 0.862 538 Q CB -0.419 28.375 28.738 0.093 0.000 0.905 538 Q HN 0.598 nan 8.270 nan 0.000 0.429 539 A N -0.020 122.720 122.820 -0.133 0.000 2.125 539 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 539 A C 1.475 178.988 177.584 -0.120 0.000 1.156 539 A CA 1.123 53.107 52.037 -0.089 0.000 0.671 539 A CB -0.266 18.689 19.000 -0.075 0.000 0.794 539 A HN 0.253 nan 8.150 nan 0.000 0.459 540 R N -1.199 119.123 120.500 -0.297 0.000 2.317 540 R HA 0.209 4.549 4.340 -0.000 0.000 0.208 540 R C -0.707 175.531 176.300 -0.105 0.000 0.914 540 R CA -0.022 55.922 56.100 -0.260 0.000 1.060 540 R CB -0.422 29.625 30.300 -0.421 0.000 1.015 540 R HN 0.555 nan 8.270 nan 0.000 0.498 541 F N 1.049 121.069 119.950 0.117 0.000 2.361 541 F HA 0.128 4.655 4.527 -0.000 0.000 0.364 541 F C 1.693 177.557 175.800 0.107 0.000 1.120 541 F CA -0.982 57.116 58.000 0.163 0.000 1.102 541 F CB 1.494 40.574 39.000 0.133 0.000 1.183 541 F HN -0.337 nan 8.300 nan 0.000 0.476 542 V N 0.605 120.709 119.914 0.316 0.000 2.667 542 V HA -0.057 4.063 4.120 -0.000 0.000 0.252 542 V C 0.559 176.642 176.094 -0.019 0.000 1.065 542 V CA 1.050 63.438 62.300 0.147 0.000 1.083 542 V CB -0.710 31.221 31.823 0.180 0.000 0.692 542 V HN 0.678 nan 8.190 nan 0.000 0.468 543 K N 0.243 120.561 120.400 -0.136 0.000 2.523 543 K HA 0.472 4.792 4.320 -0.000 0.000 0.257 543 K C -1.395 175.078 176.600 -0.212 0.000 0.932 543 K CA -0.587 55.468 56.287 -0.386 0.000 0.812 543 K CB 2.444 34.273 32.500 -1.117 0.000 1.326 543 K HN 0.238 nan 8.250 nan 0.000 0.433 544 Q N 4.853 124.566 119.800 -0.144 0.000 2.330 544 Q HA 0.431 4.771 4.340 -0.000 0.000 0.269 544 Q C -1.413 174.562 176.000 -0.043 0.000 1.022 544 Q CA -0.684 55.102 55.803 -0.029 0.000 0.796 544 Q CB 1.346 30.089 28.738 0.008 0.000 1.271 544 Q HN 0.596 nan 8.270 nan 0.000 0.450 545 I N 3.604 124.213 120.570 0.065 0.000 2.362 545 I HA 0.289 4.459 4.170 -0.000 0.000 0.289 545 I C -0.776 175.358 176.117 0.029 0.000 0.994 545 I CA -0.789 60.477 61.300 -0.057 0.000 1.158 545 I CB 1.651 39.546 38.000 -0.175 0.000 1.315 545 I HN 0.528 nan 8.210 nan 0.000 0.451 546 D N 7.186 127.542 120.400 -0.074 0.000 2.359 546 D HA 0.299 4.939 4.640 -0.000 0.000 0.230 546 D C -0.519 175.739 176.300 -0.070 0.000 1.118 546 D CA -0.098 53.914 54.000 0.019 0.000 0.844 546 D CB 1.251 42.043 40.800 -0.014 0.000 1.059 546 D HN 0.082 nan 8.370 nan 0.000 0.493 547 F N 1.693 121.587 119.950 -0.093 0.000 2.375 547 F HA 0.372 4.899 4.527 -0.000 0.000 0.333 547 F C 1.263 177.007 175.800 -0.092 0.000 1.104 547 F CA -0.331 57.602 58.000 -0.113 0.000 1.149 547 F CB 1.027 39.962 39.000 -0.109 0.000 1.190 547 F HN -0.082 nan 8.300 nan 0.000 0.533 548 R N 2.034 122.554 120.500 0.033 0.000 2.621 548 R HA 0.407 4.747 4.340 -0.000 0.000 0.284 548 R C -2.828 173.436 176.300 -0.060 0.000 0.998 548 R CA -2.008 54.079 56.100 -0.021 0.000 0.895 548 R CB 1.883 32.144 30.300 -0.066 0.000 1.195 548 R HN 0.288 nan 8.270 nan 0.000 0.450 549 P HA 0.083 nan 4.420 nan 0.000 0.268 549 P C -1.084 176.106 177.300 -0.183 0.000 1.204 549 P CA -0.041 62.997 63.100 -0.102 0.000 0.768 549 P CB 0.612 32.265 31.700 -0.078 0.000 0.842 550 K N 2.158 122.384 120.400 -0.292 0.000 2.463 550 K HA 0.137 4.457 4.320 -0.000 0.000 0.255 550 K C 0.274 176.583 176.600 -0.484 0.000 0.942 550 K CA -0.507 55.491 56.287 -0.482 0.000 0.814 550 K CB 1.586 33.563 32.500 -0.871 0.000 1.122 550 K HN 0.369 nan 8.250 nan 0.000 0.425 551 D N 1.665 121.860 120.400 -0.342 0.000 2.133 551 D HA -0.308 4.332 4.640 -0.000 0.000 0.195 551 D C 1.618 177.757 176.300 -0.269 0.000 0.997 551 D CA 1.728 55.556 54.000 -0.287 0.000 0.840 551 D CB -0.552 40.212 40.800 -0.061 0.000 0.947 551 D HN 0.702 nan 8.370 nan 0.000 0.452 552 Y N 0.315 120.590 120.300 -0.043 0.000 2.293 552 Y HA 0.094 4.644 4.550 -0.000 0.000 0.291 552 Y C 2.044 177.935 175.900 -0.015 0.000 1.137 552 Y CA 0.396 58.507 58.100 0.019 0.000 1.202 552 Y CB -0.837 37.604 38.460 -0.031 0.000 0.990 552 Y HN -0.013 nan 8.280 nan 0.000 0.537 553 L N 0.702 121.745 121.223 -0.301 0.000 2.046 553 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 553 L C 2.797 179.779 176.870 0.187 0.000 1.077 553 L CA 2.010 56.799 54.840 -0.084 0.000 0.747 553 L CB -0.533 41.279 42.059 -0.412 0.000 0.896 553 L HN 0.260 nan 8.230 nan 0.000 0.432 554 K N -0.725 119.650 120.400 -0.042 0.000 2.025 554 K HA -0.201 4.119 4.320 -0.000 0.000 0.207 554 K C 2.251 178.833 176.600 -0.031 0.000 1.049 554 K CA 1.311 57.558 56.287 -0.068 0.000 0.933 554 K CB -0.075 32.281 32.500 -0.240 0.000 0.714 554 K HN 0.317 nan 8.250 nan 0.000 0.438 555 H N 0.355 119.461 119.070 0.060 0.000 2.353 555 H HA -0.152 4.404 4.556 -0.000 0.000 0.300 555 H C 2.505 177.875 175.328 0.070 0.000 1.090 555 H CA 1.352 57.433 56.048 0.054 0.000 1.327 555 H CB -0.874 28.919 29.762 0.051 0.000 1.383 555 H HN 0.414 nan 8.280 nan 0.000 0.508 556 C N 1.051 120.493 119.300 0.237 0.000 2.413 556 C HA -0.121 4.339 4.460 -0.000 0.000 0.277 556 C C 2.918 177.978 174.990 0.117 0.000 1.228 556 C CA 0.653 59.790 59.018 0.198 0.000 1.731 556 C CB -1.387 26.527 27.740 0.289 0.000 2.042 556 C HN 0.439 nan 8.230 nan 0.000 0.468 557 L N 0.487 121.774 121.223 0.107 0.000 2.079 557 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 557 L C 2.691 179.517 176.870 -0.074 0.000 1.081 557 L CA 1.984 56.773 54.840 -0.084 0.000 0.752 557 L CB -0.842 41.136 42.059 -0.135 0.000 0.896 557 L HN 0.492 nan 8.230 nan 0.000 0.433 558 E N -0.001 120.201 120.200 0.004 0.000 2.267 558 E HA -0.197 4.153 4.350 -0.000 0.000 0.197 558 E C 1.666 178.275 176.600 0.014 0.000 0.998 558 E CA 0.866 57.275 56.400 0.014 0.000 0.830 558 E CB 0.063 29.803 29.700 0.068 0.000 0.751 558 E HN 0.471 nan 8.360 nan 0.000 0.491 559 R N -0.535 119.979 120.500 0.024 0.000 2.472 559 R HA 0.206 4.546 4.340 -0.000 0.000 0.279 559 R C 0.081 176.400 176.300 0.032 0.000 0.953 559 R CA 0.023 56.146 56.100 0.038 0.000 1.088 559 R CB 1.008 31.343 30.300 0.059 0.000 1.197 559 R HN -0.142 nan 8.270 nan 0.000 0.536 560 S N 0.423 116.083 115.700 -0.066 0.000 2.569 560 S HA 0.124 4.594 4.470 -0.000 0.000 0.215 560 S C 0.296 174.616 174.600 -0.467 0.000 1.096 560 S CA -0.470 57.587 58.200 -0.239 0.000 1.183 560 S CB 0.767 63.769 63.200 -0.330 0.000 1.324 560 S HN 0.217 nan 8.310 nan 0.000 0.421 561 E N 1.036 121.120 120.200 -0.194 0.000 2.171 561 E HA -0.219 4.131 4.350 -0.000 0.000 0.197 561 E C 1.434 177.911 176.600 -0.204 0.000 0.997 561 E CA 1.647 57.944 56.400 -0.171 0.000 0.810 561 E CB -0.378 29.297 29.700 -0.041 0.000 0.738 561 E HN 0.852 nan 8.360 nan 0.000 0.467 562 F N 0.076 119.975 119.950 -0.085 0.000 2.250 562 F HA -0.115 4.412 4.527 -0.000 0.000 0.301 562 F C 1.746 177.444 175.800 -0.169 0.000 1.077 562 F CA 0.778 58.720 58.000 -0.097 0.000 1.348 562 F CB -0.578 38.382 39.000 -0.065 0.000 1.040 562 F HN -0.100 nan 8.300 nan 0.000 0.509 563 L N 0.009 120.663 121.223 -0.948 0.000 2.191 563 L HA -0.154 4.186 4.340 -0.000 0.000 0.212 563 L C 2.344 178.932 176.870 -0.469 0.000 1.103 563 L CA 1.036 55.440 54.840 -0.726 0.000 0.769 563 L CB -0.448 41.080 42.059 -0.885 0.000 0.908 563 L HN 0.340 nan 8.230 nan 0.000 0.438 564 L N -1.499 119.496 121.223 -0.380 0.000 2.286 564 L HA -0.016 4.324 4.340 -0.000 0.000 0.203 564 L C 2.367 179.140 176.870 -0.160 0.000 1.068 564 L CA 0.414 55.093 54.840 -0.268 0.000 0.811 564 L CB -0.264 41.649 42.059 -0.242 0.000 0.989 564 L HN 0.145 nan 8.230 nan 0.000 0.467 565 E N 0.911 121.043 120.200 -0.115 0.000 2.118 565 E HA -0.213 4.137 4.350 -0.000 0.000 0.195 565 E C 1.377 177.964 176.600 -0.021 0.000 0.992 565 E CA 1.088 57.461 56.400 -0.044 0.000 0.804 565 E CB 0.029 29.728 29.700 -0.002 0.000 0.741 565 E HN 0.388 nan 8.360 nan 0.000 0.458 566 K N 0.296 120.679 120.400 -0.029 0.000 2.387 566 K HA 0.172 4.492 4.320 -0.000 0.000 0.198 566 K C -0.295 176.268 176.600 -0.062 0.000 1.022 566 K CA -0.148 56.138 56.287 -0.002 0.000 1.128 566 K CB 0.399 32.925 32.500 0.043 0.000 0.853 566 K HN -0.008 nan 8.250 nan 0.000 0.523 567 R N 0.513 120.946 120.500 -0.111 0.000 3.322 567 R HA -0.202 4.138 4.340 -0.000 0.000 0.253 567 R C 0.610 176.787 176.300 -0.204 0.000 0.987 567 R CA 0.150 56.178 56.100 -0.120 0.000 0.666 567 R CB -2.247 28.038 30.300 -0.025 0.000 1.072 567 R HN 0.320 nan 8.270 nan 0.000 0.447 568 I N 0.034 120.367 120.570 -0.395 0.000 2.429 568 I HA -0.174 3.996 4.170 -0.000 0.000 0.247 568 I C 2.366 178.273 176.117 -0.351 0.000 1.099 568 I CA 1.267 62.172 61.300 -0.658 0.000 1.422 568 I CB -0.101 37.374 38.000 -0.874 0.000 1.112 568 I HN 0.357 nan 8.210 nan 0.000 0.430 569 I N -0.092 120.285 120.570 -0.323 0.000 2.756 569 I HA -0.219 3.951 4.170 -0.000 0.000 0.262 569 I C 1.900 177.967 176.117 -0.083 0.000 1.225 569 I CA 1.099 62.272 61.300 -0.211 0.000 1.472 569 I CB -0.579 37.148 38.000 -0.455 0.000 1.094 569 I HN 0.364 nan 8.210 nan 0.000 0.454 570 Q N 1.366 121.112 119.800 -0.090 0.000 2.220 570 Q HA 0.275 4.615 4.340 -0.000 0.000 0.205 570 Q C 0.622 176.645 176.000 0.037 0.000 0.865 570 Q CA -0.290 55.504 55.803 -0.015 0.000 0.960 570 Q CB 0.201 28.917 28.738 -0.036 0.000 1.097 570 Q HN 0.390 nan 8.270 nan 0.000 0.493 571 S N -0.523 115.216 115.700 0.066 0.000 2.554 571 S HA 0.487 4.957 4.470 -0.000 0.000 0.278 571 S C 1.084 175.789 174.600 0.175 0.000 1.242 571 S CA -0.115 58.184 58.200 0.165 0.000 1.051 571 S CB 1.297 64.701 63.200 0.341 0.000 0.986 571 S HN 0.430 nan 8.310 nan 0.000 0.502 572 G N 3.986 112.872 108.800 0.143 0.000 2.443 572 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.219 572 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.219 572 G C 1.213 176.165 174.900 0.088 0.000 1.131 572 G CA 0.335 45.495 45.100 0.101 0.000 0.775 572 G HN 0.708 nan 8.290 nan 0.000 0.547 573 I N 1.710 122.366 120.570 0.144 0.000 2.315 573 I HA -0.074 4.096 4.170 -0.000 0.000 0.248 573 I C 3.139 179.388 176.117 0.220 0.000 1.117 573 I CA 1.048 62.406 61.300 0.096 0.000 1.404 573 I CB -1.140 36.855 38.000 -0.008 0.000 1.071 573 I HN 0.250 nan 8.210 nan 0.000 0.419 574 A N 0.992 124.046 122.820 0.390 0.000 1.902 574 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 574 A C 2.383 180.091 177.584 0.206 0.000 1.181 574 A CA 1.176 53.420 52.037 0.345 0.000 0.623 574 A CB -0.737 18.421 19.000 0.263 0.000 0.818 574 A HN 0.377 nan 8.150 nan 0.000 0.443 575 L N -1.083 120.237 121.223 0.162 0.000 2.093 575 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 575 L C 2.528 179.451 176.870 0.089 0.000 1.085 575 L CA 0.911 55.834 54.840 0.138 0.000 0.755 575 L CB -0.480 41.654 42.059 0.124 0.000 0.904 575 L HN 0.444 nan 8.230 nan 0.000 0.435 576 L N -0.056 121.160 121.223 -0.012 0.000 2.093 576 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 576 L C 2.270 179.110 176.870 -0.051 0.000 1.085 576 L CA 1.647 56.398 54.840 -0.147 0.000 0.755 576 L CB -0.441 41.414 42.059 -0.340 0.000 0.904 576 L HN 0.103 nan 8.230 nan 0.000 0.435 577 L N -1.304 119.911 121.223 -0.012 0.000 2.083 577 L HA -0.234 4.106 4.340 -0.000 0.000 0.209 577 L C 2.618 179.569 176.870 0.135 0.000 1.083 577 L CA 1.716 56.568 54.840 0.019 0.000 0.752 577 L CB -0.440 41.642 42.059 0.037 0.000 0.899 577 L HN 0.412 nan 8.230 nan 0.000 0.433 578 M N -0.281 119.433 119.600 0.190 0.000 2.117 578 M HA -0.230 4.249 4.480 -0.000 0.000 0.262 578 M C 2.229 178.788 176.300 0.430 0.000 1.065 578 M CA 1.829 57.329 55.300 0.333 0.000 1.114 578 M CB -0.010 32.785 32.600 0.325 0.000 1.361 578 M HN 0.195 nan 8.290 nan 0.000 0.408 579 L N 0.067 121.485 121.223 0.325 0.000 2.046 579 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 579 L C 2.351 179.507 176.870 0.477 0.000 1.077 579 L CA 1.151 56.224 54.840 0.388 0.000 0.747 579 L CB -0.615 41.654 42.059 0.350 0.000 0.896 579 L HN 0.362 nan 8.230 nan 0.000 0.432 580 I N -1.272 119.507 120.570 0.349 0.000 2.226 580 I HA -0.337 3.833 4.170 -0.000 0.000 0.245 580 I C 2.416 178.665 176.117 0.218 0.000 1.100 580 I CA 1.480 62.918 61.300 0.229 0.000 1.374 580 I CB -0.381 37.680 38.000 0.102 0.000 1.057 580 I HN 0.517 nan 8.210 nan 0.000 0.413 581 W N 0.901 122.205 121.300 0.008 0.000 2.407 581 W HA -0.216 4.444 4.660 -0.000 0.000 0.305 581 W C 2.149 178.532 176.519 -0.228 0.000 1.196 581 W CA 1.510 58.741 57.345 -0.189 0.000 1.311 581 W CB -0.284 28.920 29.460 -0.427 0.000 1.135 581 W HN 0.124 nan 8.180 nan 0.000 0.514 582 Y N 0.386 120.784 120.300 0.162 0.000 2.347 582 Y HA 0.119 4.669 4.550 -0.000 0.000 0.294 582 Y C 1.491 177.420 175.900 0.048 0.000 1.117 582 Y CA 0.881 59.025 58.100 0.073 0.000 1.184 582 Y CB -0.463 38.101 38.460 0.173 0.000 1.047 582 Y HN -0.493 nan 8.280 nan 0.000 0.546 583 R N 1.411 122.082 120.500 0.284 0.000 2.441 583 R HA 0.233 4.573 4.340 -0.000 0.000 0.284 583 R C -2.693 173.745 176.300 0.230 0.000 1.070 583 R CA -2.013 54.205 56.100 0.197 0.000 1.047 583 R CB -0.266 30.124 30.300 0.151 0.000 1.016 583 R HN -0.023 nan 8.270 nan 0.000 0.477 584 P HA 0.009 nan 4.420 nan 0.000 0.271 584 P C 0.949 178.413 177.300 0.274 0.000 1.216 584 P CA -0.153 63.024 63.100 0.128 0.000 0.771 584 P CB 0.638 32.370 31.700 0.053 0.000 0.864 585 V N 3.204 123.254 119.914 0.227 0.000 2.370 585 V HA -0.338 3.782 4.120 -0.000 0.000 0.252 585 V C 2.336 178.631 176.094 0.334 0.000 1.068 585 V CA 2.643 65.106 62.300 0.270 0.000 1.061 585 V CB -1.658 30.221 31.823 0.094 0.000 0.656 585 V HN 0.692 nan 8.190 nan 0.000 0.455 586 A N -0.392 122.549 122.820 0.201 0.000 2.032 586 A HA -0.271 4.049 4.320 -0.000 0.000 0.221 586 A C 2.139 179.827 177.584 0.173 0.000 1.165 586 A CA 1.964 54.095 52.037 0.157 0.000 0.645 586 A CB -0.463 18.595 19.000 0.096 0.000 0.807 586 A HN 0.686 nan 8.150 nan 0.000 0.453 587 E N -1.543 118.761 120.200 0.173 0.000 2.358 587 E HA 0.021 4.371 4.350 -0.000 0.000 0.195 587 E C -0.416 176.225 176.600 0.069 0.000 1.010 587 E CA -0.117 56.340 56.400 0.094 0.000 0.856 587 E CB -0.032 29.636 29.700 -0.054 0.000 0.795 587 E HN 0.664 nan 8.360 nan 0.000 0.504 588 F N 1.005 121.047 119.950 0.152 0.000 2.378 588 F HA 0.310 4.837 4.527 -0.000 0.000 0.319 588 F C 0.887 176.746 175.800 0.098 0.000 1.155 588 F CA -0.976 57.114 58.000 0.150 0.000 1.157 588 F CB 0.386 39.484 39.000 0.163 0.000 1.252 588 F HN -0.187 nan 8.300 nan 0.000 0.550 589 A N 1.610 124.587 122.820 0.261 0.000 2.498 589 A HA 0.054 4.374 4.320 -0.000 0.000 0.239 589 A C 1.451 179.122 177.584 0.145 0.000 1.068 589 A CA -0.389 51.731 52.037 0.140 0.000 0.766 589 A CB 0.328 19.372 19.000 0.073 0.000 1.003 589 A HN 0.839 nan 8.150 nan 0.000 0.497 590 Q N 2.094 121.953 119.800 0.100 0.000 2.096 590 Q HA -0.227 4.113 4.340 -0.000 0.000 0.208 590 Q C 2.070 178.113 176.000 0.073 0.000 0.993 590 Q CA 2.864 58.717 55.803 0.083 0.000 0.862 590 Q CB -0.476 28.297 28.738 0.058 0.000 0.915 590 Q HN 1.022 nan 8.270 nan 0.000 0.416 591 S N -0.610 115.128 115.700 0.063 0.000 2.469 591 S HA -0.083 4.387 4.470 -0.000 0.000 0.238 591 S C 1.880 176.520 174.600 0.066 0.000 0.998 591 S CA 1.022 59.254 58.200 0.054 0.000 0.957 591 S CB -0.213 63.012 63.200 0.041 0.000 0.764 591 S HN 0.504 nan 8.310 nan 0.000 0.514 592 I N 0.053 120.678 120.570 0.092 0.000 4.070 592 I HA 0.106 4.276 4.170 -0.000 0.000 0.328 592 I C 2.200 178.359 176.117 0.069 0.000 1.298 592 I CA -0.015 61.346 61.300 0.100 0.000 1.173 592 I CB 0.028 38.123 38.000 0.158 0.000 1.051 592 I HN 0.230 nan 8.210 nan 0.000 0.409 593 Q N 0.087 119.934 119.800 0.078 0.000 2.133 593 Q HA -0.276 4.064 4.340 -0.000 0.000 0.208 593 Q C 2.232 178.233 176.000 0.002 0.000 0.991 593 Q CA 2.280 58.105 55.803 0.037 0.000 0.867 593 Q CB -0.256 28.529 28.738 0.079 0.000 0.911 593 Q HN 0.457 nan 8.270 nan 0.000 0.417 594 S N 0.137 115.851 115.700 0.023 0.000 2.383 594 S HA -0.200 4.270 4.470 -0.000 0.000 0.229 594 S C 1.884 176.496 174.600 0.021 0.000 1.030 594 S CA 1.315 59.525 58.200 0.017 0.000 1.002 594 S CB -0.077 63.137 63.200 0.023 0.000 0.829 594 S HN 0.288 nan 8.310 nan 0.000 0.467 595 R N -0.051 120.475 120.500 0.043 0.000 2.115 595 R HA 0.063 4.403 4.340 -0.000 0.000 0.226 595 R C 2.025 178.397 176.300 0.120 0.000 1.100 595 R CA 1.208 57.364 56.100 0.094 0.000 0.980 595 R CB -0.184 30.189 30.300 0.123 0.000 0.875 595 R HN 0.398 nan 8.270 nan 0.000 0.445 596 I N 0.495 121.059 120.570 -0.011 0.000 2.315 596 I HA -0.199 3.971 4.170 -0.000 0.000 0.248 596 I C 2.251 178.343 176.117 -0.042 0.000 1.117 596 I CA 1.017 62.235 61.300 -0.136 0.000 1.404 596 I CB -0.848 36.815 38.000 -0.561 0.000 1.071 596 I HN 0.040 nan 8.210 nan 0.000 0.419 597 V N 1.062 120.954 119.914 -0.037 0.000 2.295 597 V HA -0.261 3.859 4.120 -0.000 0.000 0.246 597 V C 2.442 178.531 176.094 -0.008 0.000 1.049 597 V CA 1.692 63.978 62.300 -0.023 0.000 1.024 597 V CB -0.680 31.131 31.823 -0.021 0.000 0.648 597 V HN 0.427 nan 8.190 nan 0.000 0.447 598 E N -1.236 118.959 120.200 -0.008 0.000 2.085 598 E HA -0.280 4.070 4.350 -0.000 0.000 0.194 598 E C 2.029 178.554 176.600 -0.125 0.000 0.994 598 E CA 1.865 58.218 56.400 -0.078 0.000 0.801 598 E CB -0.241 29.397 29.700 -0.103 0.000 0.743 598 E HN 0.728 nan 8.360 nan 0.000 0.453 599 W N 1.240 122.514 121.300 -0.044 0.000 2.436 599 W HA -0.052 4.608 4.660 -0.000 0.000 0.284 599 W C 2.187 178.698 176.519 -0.013 0.000 1.225 599 W CA 0.714 58.044 57.345 -0.026 0.000 1.271 599 W CB 0.157 29.596 29.460 -0.035 0.000 1.114 599 W HN -0.062 nan 8.180 nan 0.000 0.559 600 K N 0.233 120.731 120.400 0.164 0.000 2.147 600 K HA -0.164 4.156 4.320 -0.000 0.000 0.205 600 K C 1.614 178.238 176.600 0.040 0.000 1.049 600 K CA 1.552 57.889 56.287 0.083 0.000 0.936 600 K CB -0.225 32.272 32.500 -0.006 0.000 0.722 600 K HN 0.255 nan 8.250 nan 0.000 0.446 601 E N 0.437 120.635 120.200 -0.003 0.000 2.072 601 E HA -0.192 4.158 4.350 -0.000 0.000 0.191 601 E C 2.070 178.646 176.600 -0.040 0.000 0.985 601 E CA 0.771 57.150 56.400 -0.036 0.000 0.801 601 E CB -0.014 29.648 29.700 -0.064 0.000 0.750 601 E HN 0.101 nan 8.360 nan 0.000 0.452 602 R N 1.182 121.634 120.500 -0.080 0.000 2.073 602 R HA -0.157 4.183 4.340 -0.000 0.000 0.234 602 R C 2.044 178.352 176.300 0.013 0.000 1.134 602 R CA 1.196 57.222 56.100 -0.123 0.000 0.952 602 R CB -0.611 29.482 30.300 -0.345 0.000 0.850 602 R HN 0.078 nan 8.270 nan 0.000 0.433 603 L N 0.995 122.325 121.223 0.177 0.000 2.017 603 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 603 L C 1.760 178.872 176.870 0.403 0.000 1.073 603 L CA 1.955 57.030 54.840 0.393 0.000 0.745 603 L CB -0.883 41.502 42.059 0.543 0.000 0.894 603 L HN 0.222 nan 8.230 nan 0.000 0.432 604 D N -0.669 119.871 120.400 0.234 0.000 2.182 604 D HA -0.216 4.424 4.640 -0.000 0.000 0.201 604 D C 2.197 178.549 176.300 0.085 0.000 0.986 604 D CA 0.936 55.026 54.000 0.150 0.000 0.847 604 D CB 0.043 40.847 40.800 0.006 0.000 0.942 604 D HN 0.325 nan 8.370 nan 0.000 0.467 605 K N 0.666 121.074 120.400 0.014 0.000 2.103 605 K HA -0.094 4.226 4.320 -0.000 0.000 0.204 605 K C 1.651 178.171 176.600 -0.134 0.000 1.052 605 K CA 0.863 57.117 56.287 -0.055 0.000 0.945 605 K CB 0.294 32.746 32.500 -0.080 0.000 0.722 605 K HN -0.059 nan 8.250 nan 0.000 0.443 606 E N -0.232 119.824 120.200 -0.241 0.000 2.112 606 E HA -0.036 4.314 4.350 -0.000 0.000 0.190 606 E C -0.173 175.869 176.600 -0.929 0.000 0.979 606 E CA 0.783 56.772 56.400 -0.685 0.000 0.814 606 E CB 0.189 29.280 29.700 -1.016 0.000 0.762 606 E HN 0.179 nan 8.360 nan 0.000 0.460 607 F N 0.295 120.311 119.950 0.110 0.000 2.561 607 F HA 0.225 4.752 4.527 -0.000 0.000 0.313 607 F C 0.387 176.331 175.800 0.240 0.000 1.126 607 F CA -1.199 56.883 58.000 0.137 0.000 0.918 607 F CB 1.440 40.472 39.000 0.053 0.000 1.199 607 F HN -0.284 nan 8.300 nan 0.000 0.444 608 S N 2.112 118.014 115.700 0.336 0.000 2.645 608 S HA 0.308 4.778 4.470 -0.000 0.000 0.266 608 S C 0.912 175.738 174.600 0.378 0.000 1.258 608 S CA -0.733 57.628 58.200 0.269 0.000 0.990 608 S CB 1.241 64.535 63.200 0.157 0.000 0.967 608 S HN 0.749 nan 8.310 nan 0.000 0.556 609 L N 1.817 123.221 121.223 0.301 0.000 2.042 609 L HA -0.101 4.239 4.340 -0.000 0.000 0.210 609 L C 2.612 179.662 176.870 0.299 0.000 1.076 609 L CA 2.678 57.728 54.840 0.350 0.000 0.749 609 L CB -1.532 40.639 42.059 0.187 0.000 0.893 609 L HN 0.999 nan 8.230 nan 0.000 0.432 610 S N -1.915 113.896 115.700 0.185 0.000 2.383 610 S HA -0.137 4.333 4.470 -0.000 0.000 0.227 610 S C 1.952 176.621 174.600 0.115 0.000 1.026 610 S CA 1.250 59.520 58.200 0.116 0.000 0.981 610 S CB -1.193 62.046 63.200 0.065 0.000 0.818 610 S HN 0.257 nan 8.310 nan 0.000 0.472 611 V N 0.816 120.829 119.914 0.165 0.000 2.407 611 V HA -0.126 3.994 4.120 -0.000 0.000 0.248 611 V C 2.286 178.471 176.094 0.151 0.000 1.055 611 V CA 2.008 64.407 62.300 0.166 0.000 1.049 611 V CB -1.001 30.960 31.823 0.230 0.000 0.662 611 V HN 0.671 nan 8.190 nan 0.000 0.455 612 Y N 0.958 121.286 120.300 0.046 0.000 2.220 612 Y HA -0.173 4.376 4.550 -0.000 0.000 0.291 612 Y C 2.573 178.446 175.900 -0.044 0.000 1.129 612 Y CA 1.618 59.634 58.100 -0.141 0.000 1.161 612 Y CB -0.319 37.922 38.460 -0.365 0.000 0.997 612 Y HN 0.280 nan 8.280 nan 0.000 0.522 613 Q N 0.357 120.112 119.800 -0.074 0.000 2.181 613 Q HA -0.243 4.097 4.340 -0.000 0.000 0.205 613 Q C 2.226 178.174 176.000 -0.087 0.000 0.980 613 Q CA 1.831 57.566 55.803 -0.114 0.000 0.862 613 Q CB -0.213 28.553 28.738 0.046 0.000 0.905 613 Q HN 0.463 nan 8.270 nan 0.000 0.429 614 K N 0.683 121.060 120.400 -0.038 0.000 2.097 614 K HA -0.136 4.184 4.320 -0.000 0.000 0.206 614 K C 1.999 178.634 176.600 0.058 0.000 1.049 614 K CA 1.079 57.383 56.287 0.029 0.000 0.933 614 K CB 0.041 32.553 32.500 0.021 0.000 0.717 614 K HN 0.173 nan 8.250 nan 0.000 0.442 615 M N 0.547 120.101 119.600 -0.076 0.000 2.117 615 M HA -0.160 4.320 4.480 -0.000 0.000 0.262 615 M C 2.040 178.278 176.300 -0.104 0.000 1.065 615 M CA 1.531 56.780 55.300 -0.085 0.000 1.114 615 M CB -0.108 32.388 32.600 -0.173 0.000 1.361 615 M HN 0.022 nan 8.290 nan 0.000 0.408 616 K N -0.263 119.997 120.400 -0.232 0.000 2.097 616 K HA -0.145 4.175 4.320 -0.000 0.000 0.205 616 K C 1.873 178.439 176.600 -0.057 0.000 1.050 616 K CA 1.331 57.523 56.287 -0.159 0.000 0.938 616 K CB -0.457 31.921 32.500 -0.202 0.000 0.718 616 K HN 0.252 nan 8.250 nan 0.000 0.442 617 F N 3.223 123.093 119.950 -0.133 0.000 2.075 617 F HA -0.215 4.312 4.527 -0.000 0.000 0.297 617 F C 1.834 177.584 175.800 -0.084 0.000 1.113 617 F CA 1.507 59.447 58.000 -0.100 0.000 1.218 617 F CB -0.350 38.608 39.000 -0.070 0.000 0.984 617 F HN 0.019 nan 8.300 nan 0.000 0.472 618 N N 0.610 119.309 118.700 -0.003 0.000 2.104 618 N HA -0.172 4.568 4.740 -0.000 0.000 0.190 618 N C 2.076 177.514 175.510 -0.119 0.000 1.024 618 N CA 1.778 54.782 53.050 -0.076 0.000 0.853 618 N CB -0.835 37.697 38.487 0.075 0.000 1.008 618 N HN 0.277 nan 8.380 nan 0.000 0.424 619 V N 1.570 121.443 119.914 -0.069 0.000 2.261 619 V HA -0.205 3.915 4.120 -0.000 0.000 0.246 619 V C 2.424 178.427 176.094 -0.150 0.000 1.047 619 V CA 1.887 64.175 62.300 -0.020 0.000 1.015 619 V CB -1.076 30.744 31.823 -0.005 0.000 0.642 619 V HN 0.313 nan 8.190 nan 0.000 0.446 620 A N -0.744 121.848 122.820 -0.380 0.000 2.024 620 A HA -0.199 4.121 4.320 -0.000 0.000 0.220 620 A C 2.110 179.327 177.584 -0.611 0.000 1.164 620 A CA 1.852 53.435 52.037 -0.757 0.000 0.643 620 A CB -0.418 18.230 19.000 -0.585 0.000 0.806 620 A HN 0.441 nan 8.150 nan 0.000 0.451 621 M N -1.625 117.684 119.600 -0.485 0.000 2.595 621 M HA 0.120 4.600 4.480 -0.000 0.000 0.248 621 M C 1.475 177.687 176.300 -0.147 0.000 1.119 621 M CA 0.908 55.974 55.300 -0.389 0.000 1.079 621 M CB -0.980 31.274 32.600 -0.576 0.000 1.472 621 M HN 0.788 nan 8.290 nan 0.000 0.501 622 G N 2.579 111.359 108.800 -0.033 0.000 2.160 622 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.244 622 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.244 622 G C 0.189 175.140 174.900 0.085 0.000 1.022 622 G CA 0.628 45.807 45.100 0.133 0.000 0.741 622 G HN 0.582 nan 8.290 nan 0.000 0.508 623 I N -2.852 117.734 120.570 0.028 0.000 3.237 623 I HA 0.890 5.059 4.170 -0.000 0.000 0.308 623 I C 0.943 177.100 176.117 0.067 0.000 1.093 623 I CA -1.139 60.183 61.300 0.037 0.000 1.001 623 I CB 1.275 39.281 38.000 0.010 0.000 1.245 623 I HN 0.243 nan 8.210 nan 0.000 0.485 624 G N 1.305 110.151 108.800 0.076 0.000 2.225 624 G HA2 0.220 4.180 3.960 -0.000 0.000 0.245 624 G HA3 0.220 4.180 3.960 -0.000 0.000 0.245 624 G C 1.014 175.986 174.900 0.120 0.000 1.249 624 G CA 0.111 45.272 45.100 0.102 0.000 0.919 624 G HN 0.929 nan 8.290 nan 0.000 0.486 625 V N 2.060 122.060 119.914 0.143 0.000 2.392 625 V HA -0.116 4.003 4.120 -0.000 0.000 0.249 625 V C 2.058 178.249 176.094 0.162 0.000 1.059 625 V CA 1.422 63.813 62.300 0.153 0.000 1.051 625 V CB -0.594 31.335 31.823 0.178 0.000 0.658 625 V HN 0.593 nan 8.190 nan 0.000 0.455 626 L N 0.322 121.664 121.223 0.198 0.000 2.741 626 L HA 0.383 4.723 4.340 -0.000 0.000 0.237 626 L C 0.215 177.152 176.870 0.113 0.000 1.178 626 L CA -0.300 54.627 54.840 0.146 0.000 0.973 626 L CB -0.381 41.752 42.059 0.122 0.000 1.255 626 L HN 0.322 nan 8.230 nan 0.000 0.498 627 D N 0.000 120.469 120.400 0.115 0.000 6.856 627 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 627 D CA 0.000 54.057 54.000 0.096 0.000 0.868 627 D CB 0.000 40.855 40.800 0.092 0.000 0.688 627 D HN 0.000 nan 8.370 nan 0.000 0.683