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 1opj_1_A DATA FIRST_RESID 243 DATA SEQUENCE AMDPSSPNYD KWEMERTDIT MKHKLGGGQY GEVYEGVWKK YSLTVAVKTL DATA SEQUENCE KEDTMEVEEF LKEAAVMKEI KHPNLVQLLG VCTREPPFYI ITEFMTYGNL DATA SEQUENCE LDYLRECNRQ EVSAVVLLYM ATQISSAMEY LEKKNFIHRD LAARNCLVGE DATA SEQUENCE NHLVKVADFG LSRLMTGDTY TAHAGAKFPI KWTAPESLAY NKFSIKSDVW DATA SEQUENCE AFGVLLWEIA TYGMSPYPGI DLSQVYELLE KDYRMERPEG CPEKVYELMR DATA SEQUENCE ACWQWNPSDR PSFAEIHQAF ETMFQESSIS DEVEKEL 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 243 A HA 0.000 nan 4.320 nan 0.000 0.244 243 A C 0.000 177.624 177.584 0.067 0.000 1.274 243 A CA 0.000 52.057 52.037 0.033 0.000 0.836 243 A CB 0.000 18.978 19.000 -0.037 0.000 0.831 244 M N 0.915 120.591 119.600 0.126 0.000 2.495 244 M HA 0.146 4.627 4.480 0.001 0.000 0.237 244 M C 0.031 176.536 176.300 0.342 0.000 1.131 244 M CA 0.358 55.791 55.300 0.221 0.000 1.032 244 M CB 0.252 32.924 32.600 0.120 0.000 1.513 244 M HN 0.313 nan 8.290 nan 0.000 0.488 245 D N 1.298 121.874 120.400 0.294 0.000 2.347 245 D HA 0.161 4.802 4.640 0.001 0.000 0.235 245 D C -1.976 174.311 176.300 -0.021 0.000 1.149 245 D CA -1.781 52.290 54.000 0.119 0.000 0.850 245 D CB 1.753 42.597 40.800 0.074 0.000 1.061 245 D HN -0.068 nan 8.370 nan 0.000 0.487 246 P HA -0.206 nan 4.420 nan 0.000 0.218 246 P C 1.300 178.362 177.300 -0.397 0.000 1.154 246 P CA 1.463 64.099 63.100 -0.773 0.000 0.872 246 P CB 0.174 31.588 31.700 -0.476 0.000 0.790 247 S N -2.292 113.300 115.700 -0.180 0.000 2.489 247 S HA 0.026 4.496 4.470 0.001 0.000 0.228 247 S C 1.168 175.753 174.600 -0.025 0.000 0.995 247 S CA -0.019 58.128 58.200 -0.087 0.000 0.934 247 S CB -0.962 62.204 63.200 -0.057 0.000 0.771 247 S HN 0.084 nan 8.310 nan 0.000 0.522 248 S N 3.510 119.217 115.700 0.013 0.000 2.533 248 S HA 0.224 4.695 4.470 0.001 0.000 0.282 248 S C -1.152 173.504 174.600 0.094 0.000 1.304 248 S CA -1.288 56.950 58.200 0.064 0.000 1.063 248 S CB 0.851 64.110 63.200 0.099 0.000 0.881 248 S HN 0.255 nan 8.310 nan 0.000 0.493 249 P HA -0.008 nan 4.420 nan 0.000 0.234 249 P C 0.107 177.457 177.300 0.083 0.000 1.167 249 P CA 0.675 63.816 63.100 0.069 0.000 0.763 249 P CB 0.035 31.762 31.700 0.045 0.000 0.835 250 N N -1.230 117.525 118.700 0.091 0.000 2.235 250 N HA 0.001 4.742 4.740 0.001 0.000 0.209 250 N C 0.206 175.772 175.510 0.092 0.000 1.122 250 N CA -0.383 52.712 53.050 0.074 0.000 0.845 250 N CB -0.300 38.218 38.487 0.051 0.000 1.004 250 N HN 0.207 nan 8.380 nan 0.000 0.499 251 Y N 2.422 122.731 120.300 0.016 0.000 2.717 251 Y HA 0.011 4.562 4.550 0.001 0.000 0.330 251 Y C -0.115 175.799 175.900 0.023 0.000 1.217 251 Y CA 0.183 58.291 58.100 0.014 0.000 1.506 251 Y CB 0.382 38.844 38.460 0.004 0.000 1.268 251 Y HN -0.082 nan 8.280 nan 0.000 0.561 252 D N 5.697 125.623 120.400 -0.791 0.000 2.473 252 D HA 0.126 4.767 4.640 0.001 0.000 0.253 252 D C 0.310 176.111 176.300 -0.832 0.000 1.233 252 D CA -0.613 53.051 54.000 -0.561 0.000 0.908 252 D CB 1.047 41.733 40.800 -0.190 0.000 1.170 252 D HN 0.750 nan 8.370 nan 0.000 0.558 253 K N 1.912 121.806 120.400 -0.843 0.000 2.281 253 K HA -0.117 4.204 4.320 0.001 0.000 0.203 253 K C 1.022 177.356 176.600 -0.444 0.000 1.046 253 K CA 0.860 56.788 56.287 -0.598 0.000 0.938 253 K CB -0.086 32.154 32.500 -0.434 0.000 0.737 253 K HN 0.366 nan 8.250 nan 0.000 0.458 254 W N 2.192 123.392 121.300 -0.167 0.000 2.584 254 W HA 0.087 4.747 4.660 0.001 0.000 0.264 254 W C 0.382 176.842 176.519 -0.099 0.000 1.264 254 W CA -0.417 56.868 57.345 -0.099 0.000 1.306 254 W CB 0.189 29.592 29.460 -0.095 0.000 1.110 254 W HN -0.080 nan 8.180 nan 0.000 0.606 255 E N 1.728 121.957 120.200 0.049 0.000 2.415 255 E HA 0.076 4.426 4.350 0.001 0.000 0.263 255 E C 0.163 176.774 176.600 0.019 0.000 0.995 255 E CA 0.533 56.940 56.400 0.011 0.000 0.915 255 E CB 0.238 29.913 29.700 -0.041 0.000 0.951 255 E HN 0.248 nan 8.360 nan 0.000 0.449 256 M N -0.028 119.584 119.600 0.020 0.000 2.691 256 M HA 0.497 4.977 4.480 0.001 0.000 0.293 256 M C -0.262 176.044 176.300 0.011 0.000 1.259 256 M CA -1.244 54.074 55.300 0.030 0.000 0.827 256 M CB 1.754 34.361 32.600 0.011 0.000 1.753 256 M HN -0.065 nan 8.290 nan 0.000 0.465 257 E N 1.616 121.838 120.200 0.036 0.000 2.217 257 E HA 0.142 4.492 4.350 0.001 0.000 0.279 257 E C 0.821 177.423 176.600 0.004 0.000 1.068 257 E CA 0.039 56.450 56.400 0.020 0.000 0.882 257 E CB 0.754 30.481 29.700 0.046 0.000 1.039 257 E HN 0.719 nan 8.360 nan 0.000 0.418 258 R N 2.292 122.762 120.500 -0.051 0.000 2.241 258 R HA -0.108 4.232 4.340 0.001 0.000 0.224 258 R C 1.130 177.443 176.300 0.020 0.000 1.101 258 R CA 1.692 57.756 56.100 -0.060 0.000 0.995 258 R CB -0.624 29.492 30.300 -0.306 0.000 0.870 258 R HN 0.505 nan 8.270 nan 0.000 0.463 259 T N -2.166 112.397 114.554 0.016 0.000 3.113 259 T HA -0.022 4.328 4.350 0.001 0.000 0.263 259 T C 0.962 175.704 174.700 0.069 0.000 1.143 259 T CA 0.778 62.900 62.100 0.036 0.000 1.090 259 T CB -0.057 68.823 68.868 0.021 0.000 0.922 259 T HN 0.181 nan 8.240 nan 0.000 0.521 260 D N 0.949 121.408 120.400 0.097 0.000 2.347 260 D HA 0.188 4.828 4.640 0.001 0.000 0.215 260 D C 0.501 176.925 176.300 0.207 0.000 0.976 260 D CA 0.449 54.554 54.000 0.175 0.000 0.884 260 D CB 0.195 41.164 40.800 0.282 0.000 0.915 260 D HN 0.504 nan 8.370 nan 0.000 0.526 261 I N 0.474 121.124 120.570 0.132 0.000 2.441 261 I HA 0.121 4.292 4.170 0.001 0.000 0.295 261 I C -0.050 176.122 176.117 0.091 0.000 0.994 261 I CA -0.379 60.992 61.300 0.119 0.000 1.144 261 I CB 2.189 40.241 38.000 0.087 0.000 1.314 261 I HN -0.386 nan 8.210 nan 0.000 0.445 262 T N 6.759 121.353 114.554 0.066 0.000 2.733 262 T HA 0.392 4.742 4.350 0.001 0.000 0.294 262 T C 0.120 174.817 174.700 -0.005 0.000 0.956 262 T CA -0.574 61.542 62.100 0.027 0.000 0.987 262 T CB 0.588 69.465 68.868 0.014 0.000 0.920 262 T HN 0.258 nan 8.240 nan 0.000 0.470 263 M N 4.236 123.820 119.600 -0.028 0.000 2.185 263 M HA 0.341 4.821 4.480 0.001 0.000 0.357 263 M C 0.542 176.799 176.300 -0.071 0.000 1.260 263 M CA -0.149 55.107 55.300 -0.073 0.000 1.124 263 M CB 0.538 33.053 32.600 -0.142 0.000 1.600 263 M HN 0.439 nan 8.290 nan 0.000 0.467 264 K N 1.383 121.758 120.400 -0.042 0.000 2.512 264 K HA 0.458 4.779 4.320 0.001 0.000 0.272 264 K C 0.070 176.685 176.600 0.025 0.000 1.033 264 K CA -0.748 55.479 56.287 -0.101 0.000 1.096 264 K CB 0.222 32.665 32.500 -0.096 0.000 1.498 264 K HN 0.520 nan 8.250 nan 0.000 0.629 265 H N 1.512 120.655 119.070 0.121 0.000 2.671 265 H HA 0.082 4.638 4.556 0.001 0.000 0.372 265 H C 0.145 175.551 175.328 0.130 0.000 1.227 265 H CA 0.093 56.230 56.048 0.147 0.000 1.426 265 H CB 0.477 30.280 29.762 0.068 0.000 1.480 265 H HN 0.262 nan 8.280 nan 0.000 0.611 266 K N 1.178 121.659 120.400 0.136 0.000 2.436 266 K HA 0.011 4.332 4.320 0.001 0.000 0.275 266 K C -0.261 176.296 176.600 -0.073 0.000 0.999 266 K CA -0.497 55.612 56.287 -0.297 0.000 0.980 266 K CB 0.317 32.599 32.500 -0.364 0.000 0.919 266 K HN 0.172 nan 8.250 nan 0.000 0.484 267 L N 3.159 124.339 121.223 -0.071 0.000 2.436 267 L HA 0.198 4.539 4.340 0.001 0.000 0.265 267 L C 0.992 177.958 176.870 0.160 0.000 1.168 267 L CA 1.343 56.236 54.840 0.088 0.000 0.815 267 L CB 0.546 42.641 42.059 0.060 0.000 1.109 267 L HN 0.939 nan 8.230 nan 0.000 0.462 268 G N 2.949 111.864 108.800 0.191 0.000 2.421 268 G HA2 -0.051 3.910 3.960 0.001 0.000 0.300 268 G HA3 -0.051 3.910 3.960 0.001 0.000 0.300 268 G C 1.113 175.998 174.900 -0.024 0.000 0.974 268 G CA 1.103 46.276 45.100 0.122 0.000 1.062 268 G HN 1.607 nan 8.290 nan 0.000 0.514 269 G N -0.808 107.984 108.800 -0.013 0.000 4.825 269 G HA2 0.092 4.052 3.960 0.001 0.000 0.224 269 G HA3 0.092 4.052 3.960 0.001 0.000 0.224 269 G C 1.727 176.576 174.900 -0.084 0.000 1.356 269 G CA 1.541 46.609 45.100 -0.053 0.000 0.966 269 G HN 2.501 nan 8.290 nan 0.000 0.690 270 G N -0.666 108.061 108.800 -0.123 0.000 4.755 270 G HA2 0.377 4.337 3.960 0.001 0.000 0.220 270 G HA3 0.377 4.337 3.960 0.001 0.000 0.220 270 G C 0.687 175.470 174.900 -0.196 0.000 0.675 270 G CA 1.053 46.071 45.100 -0.136 0.000 1.040 270 G HN 1.340 nan 8.290 nan 0.000 0.727 271 Q N -0.330 119.263 119.800 -0.345 0.000 2.515 271 Q HA 0.174 4.515 4.340 0.001 0.000 0.214 271 Q C 0.748 176.325 176.000 -0.705 0.000 0.971 271 Q CA 0.623 56.124 55.803 -0.503 0.000 0.952 271 Q CB -0.310 28.068 28.738 -0.600 0.000 0.999 271 Q HN 0.611 nan 8.270 nan 0.000 0.524 272 Y N -0.638 119.564 120.300 -0.163 0.000 2.563 272 Y HA 0.357 4.907 4.550 0.001 0.000 0.250 272 Y C 1.346 177.171 175.900 -0.126 0.000 1.126 272 Y CA -0.355 57.625 58.100 -0.200 0.000 1.231 272 Y CB 1.358 39.615 38.460 -0.339 0.000 1.288 272 Y HN 0.299 nan 8.280 nan 0.000 0.537 273 G N 1.094 109.878 108.800 -0.027 0.000 2.514 273 G HA2 -0.280 3.681 3.960 0.001 0.000 0.265 273 G HA3 -0.280 3.681 3.960 0.001 0.000 0.265 273 G C -0.011 174.856 174.900 -0.055 0.000 1.150 273 G CA -0.105 44.980 45.100 -0.025 0.000 0.959 273 G HN 0.162 nan 8.290 nan 0.000 0.556 274 E N 1.073 121.282 120.200 0.015 0.000 2.676 274 E HA 0.392 4.743 4.350 0.001 0.000 0.318 274 E C -0.011 176.631 176.600 0.070 0.000 1.514 274 E CA 0.206 56.642 56.400 0.060 0.000 1.667 274 E CB 0.048 29.863 29.700 0.192 0.000 1.336 274 E HN 0.456 nan 8.360 nan 0.000 0.492 275 V N 2.002 121.836 119.914 -0.133 0.000 2.487 275 V HA 0.331 4.451 4.120 0.001 0.000 0.298 275 V C -0.704 175.242 176.094 -0.247 0.000 1.028 275 V CA -0.804 61.459 62.300 -0.061 0.000 0.860 275 V CB 0.891 32.666 31.823 -0.080 0.000 0.991 275 V HN 0.210 nan 8.190 nan 0.000 0.427 276 Y N 1.448 121.732 120.300 -0.028 0.000 2.524 276 Y HA 0.491 5.042 4.550 0.001 0.000 0.344 276 Y C 0.347 176.239 175.900 -0.013 0.000 1.012 276 Y CA -1.036 57.056 58.100 -0.014 0.000 1.068 276 Y CB 1.495 39.924 38.460 -0.052 0.000 1.249 276 Y HN 0.645 nan 8.280 nan 0.000 0.468 277 E N 0.880 121.177 120.200 0.161 0.000 2.313 277 E HA 0.550 4.901 4.350 0.001 0.000 0.276 277 E C -0.407 176.210 176.600 0.029 0.000 1.031 277 E CA -0.213 56.230 56.400 0.072 0.000 0.857 277 E CB 0.690 30.391 29.700 0.002 0.000 1.040 277 E HN 0.881 nan 8.360 nan 0.000 0.408 278 G N 1.547 110.340 108.800 -0.013 0.000 2.694 278 G HA2 0.523 4.484 3.960 0.001 0.000 0.290 278 G HA3 0.523 4.484 3.960 0.001 0.000 0.290 278 G C -1.501 173.396 174.900 -0.005 0.000 1.386 278 G CA -0.549 44.541 45.100 -0.017 0.000 0.872 278 G HN 0.440 nan 8.290 nan 0.000 0.475 279 V N 0.445 120.379 119.914 0.033 0.000 2.483 279 V HA 0.355 4.476 4.120 0.001 0.000 0.297 279 V C -1.105 175.109 176.094 0.200 0.000 1.027 279 V CA -0.790 61.563 62.300 0.087 0.000 0.855 279 V CB 1.949 33.799 31.823 0.044 0.000 0.995 279 V HN 0.723 nan 8.190 nan 0.000 0.424 280 W N 5.764 127.094 121.300 0.050 0.000 2.290 280 W HA 0.345 5.006 4.660 0.001 0.000 0.408 280 W C 1.189 177.735 176.519 0.045 0.000 0.966 280 W CA -1.297 56.095 57.345 0.078 0.000 1.579 280 W CB -0.034 29.522 29.460 0.160 0.000 1.662 280 W HN 0.737 nan 8.180 nan 0.000 0.341 281 K N 3.246 123.804 120.400 0.264 0.000 2.023 281 K HA -0.369 3.952 4.320 0.001 0.000 0.227 281 K C 2.119 178.689 176.600 -0.050 0.000 1.054 281 K CA 3.152 59.491 56.287 0.087 0.000 0.977 281 K CB -0.348 32.195 32.500 0.071 0.000 0.733 281 K HN 0.426 nan 8.250 nan 0.000 0.451 282 K N 0.230 120.516 120.400 -0.191 0.000 2.127 282 K HA -0.235 4.086 4.320 0.001 0.000 0.208 282 K C 1.562 177.860 176.600 -0.505 0.000 1.047 282 K CA 2.185 58.211 56.287 -0.436 0.000 0.927 282 K CB -0.397 31.681 32.500 -0.704 0.000 0.716 282 K HN 0.407 nan 8.250 nan 0.000 0.450 283 Y N 0.401 120.505 120.300 -0.327 0.000 2.467 283 Y HA 0.139 4.689 4.550 0.001 0.000 0.250 283 Y C 0.805 176.635 175.900 -0.117 0.000 1.155 283 Y CA -0.065 57.875 58.100 -0.268 0.000 1.249 283 Y CB 0.935 39.145 38.460 -0.416 0.000 1.146 283 Y HN 0.164 nan 8.280 nan 0.000 0.524 284 S N 0.985 116.718 115.700 0.055 0.000 3.581 284 S HA -0.232 4.239 4.470 0.001 0.000 0.354 284 S C -0.312 174.337 174.600 0.081 0.000 1.059 284 S CA 0.051 58.284 58.200 0.054 0.000 1.060 284 S CB -1.488 61.727 63.200 0.025 0.000 0.908 284 S HN 0.378 nan 8.310 nan 0.000 0.475 285 L N 2.429 123.744 121.223 0.154 0.000 2.282 285 L HA 0.625 4.965 4.340 0.001 0.000 0.288 285 L C 0.406 177.370 176.870 0.156 0.000 1.033 285 L CA 0.150 55.090 54.840 0.166 0.000 0.807 285 L CB 1.531 43.741 42.059 0.251 0.000 1.209 285 L HN 0.253 nan 8.230 nan 0.000 0.423 286 T N 5.090 119.674 114.554 0.050 0.000 2.851 286 T HA 0.544 4.895 4.350 0.001 0.000 0.298 286 T C -0.145 174.590 174.700 0.058 0.000 0.977 286 T CA -0.070 61.996 62.100 -0.057 0.000 1.126 286 T CB 0.702 69.379 68.868 -0.319 0.000 0.916 286 T HN 0.585 nan 8.240 nan 0.000 0.529 287 V N -0.104 119.854 119.914 0.072 0.000 3.158 287 V HA 1.014 5.134 4.120 0.001 0.000 0.311 287 V C -0.563 175.631 176.094 0.166 0.000 1.181 287 V CA -1.672 60.722 62.300 0.156 0.000 1.054 287 V CB 1.674 33.563 31.823 0.110 0.000 1.085 287 V HN 0.950 nan 8.190 nan 0.000 0.446 288 A N 0.904 123.816 122.820 0.153 0.000 2.304 288 A HA 0.857 5.177 4.320 0.001 0.000 0.323 288 A C -0.693 176.896 177.584 0.009 0.000 1.195 288 A CA -0.643 51.456 52.037 0.103 0.000 0.826 288 A CB 1.330 20.347 19.000 0.028 0.000 1.184 288 A HN 1.397 nan 8.150 nan 0.000 0.496 289 V N 3.169 123.077 119.914 -0.009 0.000 2.407 289 V HA 0.356 4.477 4.120 0.001 0.000 0.291 289 V C 0.056 176.144 176.094 -0.009 0.000 1.018 289 V CA -0.665 61.581 62.300 -0.090 0.000 0.842 289 V CB 1.387 33.035 31.823 -0.292 0.000 0.996 289 V HN 0.931 nan 8.190 nan 0.000 0.426 290 K N 3.538 123.962 120.400 0.041 0.000 2.183 290 K HA 0.701 5.022 4.320 0.001 0.000 0.274 290 K C 0.063 176.857 176.600 0.323 0.000 1.009 290 K CA -0.189 56.197 56.287 0.165 0.000 0.888 290 K CB 1.397 33.977 32.500 0.132 0.000 1.078 290 K HN 0.902 nan 8.250 nan 0.000 0.459 291 T N 0.471 115.222 114.554 0.327 0.000 2.858 291 T HA 0.475 4.826 4.350 0.001 0.000 0.285 291 T C -0.241 174.555 174.700 0.160 0.000 1.052 291 T CA -1.017 61.240 62.100 0.262 0.000 1.009 291 T CB 0.736 69.700 68.868 0.160 0.000 1.241 291 T HN 0.406 nan 8.240 nan 0.000 0.542 292 L N 1.209 122.380 121.223 -0.087 0.000 2.307 292 L HA 0.482 4.823 4.340 0.001 0.000 0.282 292 L C 0.576 177.430 176.870 -0.028 0.000 1.051 292 L CA -1.140 53.627 54.840 -0.120 0.000 0.804 292 L CB 1.383 43.244 42.059 -0.330 0.000 1.197 292 L HN 0.677 nan 8.230 nan 0.000 0.431 293 K N 1.957 122.364 120.400 0.012 0.000 2.336 293 K HA 0.075 4.396 4.320 0.001 0.000 0.262 293 K C -0.185 176.405 176.600 -0.017 0.000 0.992 293 K CA -0.636 55.663 56.287 0.019 0.000 0.927 293 K CB 0.353 32.868 32.500 0.025 0.000 0.956 293 K HN 0.396 nan 8.250 nan 0.000 0.495 294 E N 2.792 122.987 120.200 -0.009 0.000 2.558 294 E HA -0.126 4.225 4.350 0.001 0.000 0.255 294 E C -0.600 175.980 176.600 -0.034 0.000 0.968 294 E CA 0.621 57.005 56.400 -0.026 0.000 0.939 294 E CB -0.075 29.617 29.700 -0.013 0.000 0.921 294 E HN 0.472 nan 8.360 nan 0.000 0.477 295 D N 2.263 122.630 120.400 -0.055 0.000 3.061 295 D HA -0.173 4.468 4.640 0.001 0.000 0.203 295 D C 0.219 176.497 176.300 -0.036 0.000 1.245 295 D CA 1.050 55.018 54.000 -0.054 0.000 0.812 295 D CB -0.863 39.911 40.800 -0.043 0.000 0.857 295 D HN 0.470 nan 8.370 nan 0.000 0.387 296 T N -2.398 112.133 114.554 -0.038 0.000 2.950 296 T HA 0.660 5.010 4.350 0.001 0.000 0.288 296 T C 0.975 175.668 174.700 -0.012 0.000 1.035 296 T CA -1.038 61.052 62.100 -0.017 0.000 1.028 296 T CB 1.633 70.499 68.868 -0.004 0.000 1.109 296 T HN 0.120 nan 8.240 nan 0.000 0.514 297 M N 0.934 120.535 119.600 0.003 0.000 3.007 297 M HA 0.299 4.779 4.480 0.001 0.000 0.288 297 M C 0.730 177.047 176.300 0.028 0.000 1.246 297 M CA 0.129 55.435 55.300 0.011 0.000 1.040 297 M CB -0.223 32.383 32.600 0.009 0.000 1.254 297 M HN 0.800 nan 8.290 nan 0.000 0.517 298 E N -0.107 120.118 120.200 0.041 0.000 2.734 298 E HA 0.104 4.454 4.350 0.001 0.000 0.211 298 E C 1.014 177.688 176.600 0.123 0.000 0.991 298 E CA -0.140 56.305 56.400 0.075 0.000 1.065 298 E CB 0.638 30.386 29.700 0.081 0.000 1.047 298 E HN 0.276 nan 8.360 nan 0.000 0.470 299 V N 1.530 121.502 119.914 0.096 0.000 2.343 299 V HA -0.298 3.822 4.120 0.001 0.000 0.247 299 V C 2.319 178.538 176.094 0.210 0.000 1.051 299 V CA 2.426 64.813 62.300 0.145 0.000 1.036 299 V CB -0.485 31.393 31.823 0.093 0.000 0.654 299 V HN 0.519 nan 8.190 nan 0.000 0.451 300 E N -0.242 120.041 120.200 0.138 0.000 2.107 300 E HA -0.217 4.134 4.350 0.001 0.000 0.191 300 E C 1.918 178.584 176.600 0.110 0.000 0.982 300 E CA 1.174 57.643 56.400 0.115 0.000 0.809 300 E CB -0.320 29.423 29.700 0.072 0.000 0.756 300 E HN 0.494 nan 8.360 nan 0.000 0.459 301 E N 0.388 120.653 120.200 0.109 0.000 2.150 301 E HA -0.122 4.228 4.350 0.001 0.000 0.193 301 E C 1.692 178.351 176.600 0.098 0.000 0.985 301 E CA 0.654 57.100 56.400 0.077 0.000 0.814 301 E CB -0.317 29.418 29.700 0.059 0.000 0.752 301 E HN 0.375 nan 8.360 nan 0.000 0.466 302 F N 1.105 121.072 119.950 0.028 0.000 2.113 302 F HA -0.122 4.406 4.527 0.001 0.000 0.297 302 F C 2.147 177.947 175.800 0.000 0.000 1.103 302 F CA 1.067 59.089 58.000 0.036 0.000 1.248 302 F CB -0.106 38.958 39.000 0.108 0.000 0.999 302 F HN -0.082 nan 8.300 nan 0.000 0.475 303 L N 0.386 121.769 121.223 0.266 0.000 2.083 303 L HA -0.216 4.124 4.340 0.001 0.000 0.209 303 L C 2.423 179.276 176.870 -0.029 0.000 1.083 303 L CA 1.776 56.669 54.840 0.089 0.000 0.752 303 L CB -0.720 41.390 42.059 0.085 0.000 0.899 303 L HN 0.150 nan 8.230 nan 0.000 0.433 304 K N 0.764 121.157 120.400 -0.011 0.000 2.057 304 K HA -0.247 4.074 4.320 0.001 0.000 0.206 304 K C 2.011 178.548 176.600 -0.104 0.000 1.050 304 K CA 1.683 57.946 56.287 -0.040 0.000 0.935 304 K CB -0.101 32.390 32.500 -0.014 0.000 0.715 304 K HN 0.282 nan 8.250 nan 0.000 0.439 305 E N -0.009 120.096 120.200 -0.158 0.000 2.077 305 E HA -0.204 4.147 4.350 0.001 0.000 0.193 305 E C 1.843 178.267 176.600 -0.293 0.000 0.989 305 E CA 1.172 57.428 56.400 -0.241 0.000 0.800 305 E CB -0.250 29.268 29.700 -0.303 0.000 0.746 305 E HN 0.453 nan 8.360 nan 0.000 0.452 306 A N 1.238 123.859 122.820 -0.332 0.000 1.908 306 A HA -0.128 4.193 4.320 0.001 0.000 0.218 306 A C 2.419 179.839 177.584 -0.274 0.000 1.181 306 A CA 1.931 53.770 52.037 -0.329 0.000 0.627 306 A CB -0.858 17.969 19.000 -0.288 0.000 0.818 306 A HN 0.442 nan 8.150 nan 0.000 0.445 307 A N -0.746 121.962 122.820 -0.188 0.000 1.902 307 A HA -0.000 4.320 4.320 0.001 0.000 0.217 307 A C 2.238 179.744 177.584 -0.130 0.000 1.181 307 A CA 1.759 53.716 52.037 -0.132 0.000 0.623 307 A CB -0.924 18.037 19.000 -0.066 0.000 0.818 307 A HN 0.388 nan 8.150 nan 0.000 0.443 308 V N 0.022 119.854 119.914 -0.138 0.000 2.407 308 V HA -0.294 3.827 4.120 0.001 0.000 0.248 308 V C 2.611 178.552 176.094 -0.256 0.000 1.055 308 V CA 2.186 64.397 62.300 -0.148 0.000 1.049 308 V CB -0.629 31.080 31.823 -0.189 0.000 0.662 308 V HN 0.585 nan 8.190 nan 0.000 0.455 309 M N -0.852 118.563 119.600 -0.309 0.000 2.296 309 M HA -0.172 4.309 4.480 0.001 0.000 0.265 309 M C 2.059 178.116 176.300 -0.405 0.000 1.064 309 M CA 1.593 56.679 55.300 -0.355 0.000 1.109 309 M CB -0.432 31.938 32.600 -0.382 0.000 1.396 309 M HN 0.234 nan 8.290 nan 0.000 0.430 310 K N -0.057 120.085 120.400 -0.430 0.000 2.365 310 K HA -0.077 4.243 4.320 0.001 0.000 0.199 310 K C 1.452 177.990 176.600 -0.103 0.000 1.045 310 K CA 0.628 56.632 56.287 -0.471 0.000 0.962 310 K CB 0.100 32.360 32.500 -0.400 0.000 0.759 310 K HN 0.240 nan 8.250 nan 0.000 0.469 311 E N 0.635 120.803 120.200 -0.054 0.000 2.447 311 E HA 0.059 4.410 4.350 0.001 0.000 0.195 311 E C 0.719 177.397 176.600 0.130 0.000 1.028 311 E CA 0.279 56.728 56.400 0.082 0.000 0.876 311 E CB 0.241 30.036 29.700 0.160 0.000 0.885 311 E HN 0.417 nan 8.360 nan 0.000 0.500 312 I N -1.255 119.337 120.570 0.037 0.000 2.474 312 I HA 0.632 4.802 4.170 0.001 0.000 0.294 312 I C -0.499 175.653 176.117 0.060 0.000 1.005 312 I CA -1.218 60.179 61.300 0.162 0.000 1.113 312 I CB 1.752 39.792 38.000 0.066 0.000 1.289 312 I HN -0.341 nan 8.210 nan 0.000 0.436 313 K N 5.035 125.469 120.400 0.057 0.000 2.637 313 K HA 0.494 4.814 4.320 0.001 0.000 0.248 313 K C -1.695 174.707 176.600 -0.330 0.000 0.971 313 K CA -0.399 55.844 56.287 -0.073 0.000 0.858 313 K CB 0.747 33.276 32.500 0.048 0.000 1.170 313 K HN 0.823 nan 8.250 nan 0.000 0.443 314 H N 4.307 123.109 119.070 -0.447 0.000 3.085 314 H HA 0.276 4.832 4.556 0.001 0.000 0.356 314 H C -2.389 172.773 175.328 -0.276 0.000 1.178 314 H CA -1.606 54.131 56.048 -0.517 0.000 1.214 314 H CB 2.283 31.500 29.762 -0.907 0.000 1.881 314 H HN 0.328 nan 8.280 nan 0.000 0.538 315 P HA -0.050 nan 4.420 nan 0.000 0.221 315 P C 0.029 177.300 177.300 -0.048 0.000 1.145 315 P CA 1.319 64.285 63.100 -0.222 0.000 0.795 315 P CB 0.269 31.805 31.700 -0.274 0.000 0.775 316 N N -1.483 117.333 118.700 0.193 0.000 2.238 316 N HA 0.203 4.944 4.740 0.001 0.000 0.222 316 N C -0.323 175.190 175.510 0.005 0.000 1.133 316 N CA -0.085 53.029 53.050 0.106 0.000 0.854 316 N CB 0.185 38.736 38.487 0.107 0.000 1.041 316 N HN 0.088 nan 8.380 nan 0.000 0.510 317 L N 0.666 121.880 121.223 -0.015 0.000 2.365 317 L HA 0.421 4.761 4.340 0.001 0.000 0.273 317 L C -0.051 176.767 176.870 -0.087 0.000 1.000 317 L CA -1.133 53.653 54.840 -0.091 0.000 0.819 317 L CB 2.174 44.153 42.059 -0.134 0.000 1.284 317 L HN -0.108 nan 8.230 nan 0.000 0.418 318 V N 3.838 123.695 119.914 -0.096 0.000 2.681 318 V HA -0.122 3.999 4.120 0.001 0.000 0.306 318 V C 0.349 176.391 176.094 -0.087 0.000 1.077 318 V CA 0.397 62.649 62.300 -0.081 0.000 1.224 318 V CB 1.018 32.796 31.823 -0.075 0.000 0.879 318 V HN 0.884 nan 8.190 nan 0.000 0.494 319 Q N 5.083 124.849 119.800 -0.056 0.000 2.307 319 Q HA 0.301 4.641 4.340 0.001 0.000 0.259 319 Q C -0.503 175.468 176.000 -0.047 0.000 0.998 319 Q CA -0.794 54.985 55.803 -0.041 0.000 0.923 319 Q CB 1.222 29.963 28.738 0.007 0.000 1.196 319 Q HN 0.802 nan 8.270 nan 0.000 0.416 320 L N 4.820 125.973 121.223 -0.118 0.000 2.453 320 L HA 0.040 4.380 4.340 0.001 0.000 0.272 320 L C -0.180 176.691 176.870 0.003 0.000 1.182 320 L CA 0.853 55.577 54.840 -0.192 0.000 0.858 320 L CB 0.545 42.298 42.059 -0.511 0.000 1.120 320 L HN 0.880 nan 8.230 nan 0.000 0.474 321 L N 4.219 125.475 121.223 0.055 0.000 2.609 321 L HA 0.529 4.870 4.340 0.001 0.000 0.230 321 L C 0.878 177.895 176.870 0.245 0.000 1.064 321 L CA 0.350 55.309 54.840 0.198 0.000 0.873 321 L CB 0.159 42.260 42.059 0.070 0.000 1.139 321 L HN 0.839 nan 8.230 nan 0.000 0.490 322 G N -0.163 108.713 108.800 0.126 0.000 2.356 322 G HA2 0.463 4.423 3.960 0.001 0.000 0.294 322 G HA3 0.463 4.423 3.960 0.001 0.000 0.294 322 G C -1.855 173.077 174.900 0.053 0.000 1.423 322 G CA 0.053 45.255 45.100 0.170 0.000 0.806 322 G HN -0.124 nan 8.290 nan 0.000 0.527 323 V N -4.016 115.945 119.914 0.077 0.000 3.159 323 V HA 0.840 4.961 4.120 0.001 0.000 0.308 323 V C -0.643 175.475 176.094 0.042 0.000 1.190 323 V CA -1.108 61.221 62.300 0.049 0.000 1.037 323 V CB 1.628 33.446 31.823 -0.009 0.000 1.060 323 V HN 1.318 nan 8.190 nan 0.000 0.437 324 C N 1.870 121.198 119.300 0.048 0.000 2.978 324 C HA 0.662 5.123 4.460 0.001 0.000 0.274 324 C C 0.911 175.876 174.990 -0.042 0.000 1.087 324 C CA 0.352 59.348 59.018 -0.037 0.000 1.453 324 C CB -0.181 27.443 27.740 -0.194 0.000 1.838 324 C HN 1.117 nan 8.230 nan 0.000 0.470 325 T N -2.174 112.287 114.554 -0.155 0.000 3.288 325 T HA 0.151 4.501 4.350 0.001 0.000 0.293 325 T C 1.333 175.837 174.700 -0.328 0.000 1.008 325 T CA -0.231 61.559 62.100 -0.517 0.000 0.929 325 T CB -0.051 68.451 68.868 -0.609 0.000 1.152 325 T HN 0.400 nan 8.240 nan 0.000 0.517 326 R N 1.828 122.286 120.500 -0.071 0.000 2.161 326 R HA 0.194 4.535 4.340 0.001 0.000 0.213 326 R C 0.819 177.193 176.300 0.123 0.000 1.055 326 R CA 0.888 56.992 56.100 0.006 0.000 0.996 326 R CB -0.114 30.188 30.300 0.004 0.000 0.901 326 R HN 0.800 nan 8.270 nan 0.000 0.456 327 E N -0.664 119.678 120.200 0.236 0.000 2.409 327 E HA 0.331 4.682 4.350 0.001 0.000 0.280 327 E C -3.148 173.597 176.600 0.241 0.000 1.079 327 E CA -2.315 54.239 56.400 0.257 0.000 0.840 327 E CB 1.368 31.115 29.700 0.078 0.000 1.309 327 E HN -0.267 nan 8.360 nan 0.000 0.447 328 P HA 0.235 nan 4.420 nan 0.000 0.269 328 P C -2.291 174.929 177.300 -0.134 0.000 1.215 328 P CA -0.638 62.306 63.100 -0.260 0.000 0.780 328 P CB -0.049 31.436 31.700 -0.359 0.000 0.898 329 P HA 0.195 nan 4.420 nan 0.000 0.286 329 P C -0.621 176.667 177.300 -0.020 0.000 1.269 329 P CA -0.159 62.852 63.100 -0.147 0.000 0.787 329 P CB 0.543 32.211 31.700 -0.053 0.000 0.920 330 F N 2.718 122.576 119.950 -0.153 0.000 2.538 330 F HA 0.147 4.675 4.527 0.001 0.000 0.371 330 F C 0.777 176.699 175.800 0.203 0.000 1.087 330 F CA -0.188 57.753 58.000 -0.099 0.000 1.250 330 F CB 0.405 39.213 39.000 -0.320 0.000 1.110 330 F HN 0.258 nan 8.300 nan 0.000 0.570 331 Y N 3.427 123.920 120.300 0.321 0.000 2.499 331 Y HA 0.582 5.133 4.550 0.001 0.000 0.347 331 Y C -0.214 175.855 175.900 0.282 0.000 0.987 331 Y CA -1.384 56.897 58.100 0.301 0.000 1.044 331 Y CB 2.641 41.173 38.460 0.121 0.000 1.245 331 Y HN 0.272 nan 8.280 nan 0.000 0.461 332 I N 4.325 125.104 120.570 0.348 0.000 2.447 332 I HA 0.296 4.467 4.170 0.001 0.000 0.287 332 I C -1.263 174.862 176.117 0.012 0.000 1.023 332 I CA -0.693 60.632 61.300 0.041 0.000 1.083 332 I CB 1.641 39.517 38.000 -0.206 0.000 1.245 332 I HN 0.351 nan 8.210 nan 0.000 0.434 333 I N 5.853 126.410 120.570 -0.022 0.000 2.378 333 I HA 0.463 4.633 4.170 0.001 0.000 0.291 333 I C 0.500 176.578 176.117 -0.064 0.000 0.992 333 I CA -0.106 61.161 61.300 -0.055 0.000 1.154 333 I CB 1.797 39.735 38.000 -0.103 0.000 1.315 333 I HN 0.571 nan 8.210 nan 0.000 0.448 334 T N 1.335 115.865 114.554 -0.040 0.000 2.888 334 T HA 0.644 4.994 4.350 0.001 0.000 0.288 334 T C -0.294 174.426 174.700 0.034 0.000 1.063 334 T CA -1.020 61.067 62.100 -0.022 0.000 1.010 334 T CB 1.336 70.176 68.868 -0.046 0.000 1.214 334 T HN 0.623 nan 8.240 nan 0.000 0.533 335 E N 0.338 120.567 120.200 0.049 0.000 2.425 335 E HA 0.296 4.647 4.350 0.001 0.000 0.258 335 E C -1.154 175.505 176.600 0.098 0.000 1.151 335 E CA -0.801 55.657 56.400 0.095 0.000 0.958 335 E CB 0.327 30.067 29.700 0.067 0.000 0.968 335 E HN 0.524 nan 8.360 nan 0.000 0.451 336 F N 1.911 121.857 119.950 -0.008 0.000 2.420 336 F HA 0.310 4.837 4.527 0.001 0.000 0.342 336 F C -0.602 175.174 175.800 -0.040 0.000 1.113 336 F CA -1.177 56.801 58.000 -0.036 0.000 1.059 336 F CB 1.270 40.253 39.000 -0.028 0.000 1.128 336 F HN 0.320 nan 8.300 nan 0.000 0.475 337 M N 6.213 125.462 119.600 -0.585 0.000 2.061 337 M HA 0.159 4.640 4.480 0.001 0.000 0.346 337 M C 1.220 177.245 176.300 -0.459 0.000 1.112 337 M CA -0.184 54.904 55.300 -0.354 0.000 1.021 337 M CB 0.663 33.109 32.600 -0.257 0.000 1.530 337 M HN 0.727 nan 8.290 nan 0.000 0.437 338 T N 2.062 116.499 114.554 -0.195 0.000 2.624 338 T HA -0.225 4.126 4.350 0.001 0.000 0.266 338 T C 1.091 175.510 174.700 -0.468 0.000 1.050 338 T CA 2.232 64.167 62.100 -0.275 0.000 1.163 338 T CB -0.349 68.230 68.868 -0.483 0.000 0.861 338 T HN 0.599 nan 8.240 nan 0.000 0.443 339 Y N 1.369 121.625 120.300 -0.074 0.000 2.461 339 Y HA 0.397 4.947 4.550 0.001 0.000 0.277 339 Y C 1.753 177.636 175.900 -0.028 0.000 1.182 339 Y CA -0.078 57.998 58.100 -0.040 0.000 1.276 339 Y CB -0.428 37.935 38.460 -0.162 0.000 1.087 339 Y HN 0.483 nan 8.280 nan 0.000 0.519 340 G N 1.392 110.163 108.800 -0.048 0.000 2.645 340 G HA2 -0.354 3.606 3.960 0.001 0.000 0.239 340 G HA3 -0.354 3.606 3.960 0.001 0.000 0.239 340 G C -0.382 174.560 174.900 0.070 0.000 1.331 340 G CA -0.376 44.718 45.100 -0.011 0.000 0.890 340 G HN 0.637 nan 8.290 nan 0.000 0.572 341 N N -0.301 118.499 118.700 0.167 0.000 2.508 341 N HA 0.383 5.124 4.740 0.001 0.000 0.264 341 N C 1.350 176.993 175.510 0.221 0.000 1.216 341 N CA 0.153 53.342 53.050 0.232 0.000 0.943 341 N CB 1.104 39.783 38.487 0.321 0.000 1.113 341 N HN 1.010 nan 8.380 nan 0.000 0.447 342 L N 1.997 123.337 121.223 0.195 0.000 2.083 342 L HA -0.042 4.299 4.340 0.001 0.000 0.209 342 L C 1.739 178.753 176.870 0.240 0.000 1.083 342 L CA 1.370 56.334 54.840 0.206 0.000 0.752 342 L CB -0.918 41.222 42.059 0.135 0.000 0.899 342 L HN 0.832 nan 8.230 nan 0.000 0.433 343 L N -0.455 120.893 121.223 0.208 0.000 1.994 343 L HA -0.215 4.125 4.340 0.001 0.000 0.208 343 L C 2.089 179.072 176.870 0.188 0.000 1.071 343 L CA 2.030 56.987 54.840 0.194 0.000 0.745 343 L CB -1.031 41.139 42.059 0.185 0.000 0.892 343 L HN 0.314 nan 8.230 nan 0.000 0.431 344 D N -1.716 118.798 120.400 0.190 0.000 2.144 344 D HA -0.239 4.402 4.640 0.001 0.000 0.199 344 D C 2.020 178.437 176.300 0.195 0.000 0.984 344 D CA 1.403 55.505 54.000 0.169 0.000 0.834 344 D CB -0.287 40.606 40.800 0.155 0.000 0.955 344 D HN 0.464 nan 8.370 nan 0.000 0.465 345 Y N 1.601 121.974 120.300 0.122 0.000 2.128 345 Y HA -0.185 4.366 4.550 0.001 0.000 0.284 345 Y C 2.242 178.211 175.900 0.116 0.000 1.154 345 Y CA 1.316 59.489 58.100 0.121 0.000 1.149 345 Y CB -0.483 38.052 38.460 0.125 0.000 0.976 345 Y HN -0.097 nan 8.280 nan 0.000 0.505 346 L N -0.295 121.021 121.223 0.156 0.000 2.042 346 L HA -0.256 4.085 4.340 0.001 0.000 0.210 346 L C 2.533 179.457 176.870 0.091 0.000 1.076 346 L CA 1.706 56.611 54.840 0.108 0.000 0.749 346 L CB -0.482 41.659 42.059 0.137 0.000 0.893 346 L HN 0.140 nan 8.230 nan 0.000 0.432 347 R N -0.185 120.362 120.500 0.077 0.000 2.148 347 R HA -0.098 4.242 4.340 0.001 0.000 0.223 347 R C 1.429 177.722 176.300 -0.011 0.000 1.088 347 R CA 0.955 57.086 56.100 0.050 0.000 0.985 347 R CB 0.010 30.353 30.300 0.072 0.000 0.880 347 R HN 0.435 nan 8.270 nan 0.000 0.451 348 E N -0.357 119.819 120.200 -0.039 0.000 2.526 348 E HA 0.033 4.384 4.350 0.001 0.000 0.208 348 E C 0.272 176.786 176.600 -0.143 0.000 0.997 348 E CA -0.320 56.044 56.400 -0.060 0.000 0.961 348 E CB 0.538 30.241 29.700 0.005 0.000 1.030 348 E HN 0.324 nan 8.360 nan 0.000 0.483 349 C N 0.743 119.881 119.300 -0.269 0.000 2.580 349 C HA 0.326 4.787 4.460 0.001 0.000 0.371 349 C C 0.678 175.533 174.990 -0.224 0.000 1.308 349 C CA -1.350 57.448 59.018 -0.366 0.000 2.428 349 C CB 0.230 27.595 27.740 -0.625 0.000 2.529 349 C HN 0.178 nan 8.230 nan 0.000 0.657 350 N N 1.008 119.606 118.700 -0.170 0.000 2.401 350 N HA 0.165 4.906 4.740 0.001 0.000 0.255 350 N C 1.014 176.443 175.510 -0.135 0.000 1.110 350 N CA 0.032 53.010 53.050 -0.120 0.000 0.949 350 N CB 0.235 38.687 38.487 -0.059 0.000 1.110 350 N HN 0.707 nan 8.380 nan 0.000 0.490 351 R N 2.112 122.490 120.500 -0.204 0.000 2.237 351 R HA -0.129 4.212 4.340 0.001 0.000 0.219 351 R C 1.240 177.478 176.300 -0.103 0.000 1.080 351 R CA 0.810 56.766 56.100 -0.240 0.000 0.995 351 R CB 0.149 30.153 30.300 -0.493 0.000 0.875 351 R HN 0.583 nan 8.270 nan 0.000 0.462 352 Q N 1.165 120.915 119.800 -0.084 0.000 2.079 352 Q HA -0.166 4.175 4.340 0.001 0.000 0.200 352 Q C 1.878 177.866 176.000 -0.020 0.000 0.974 352 Q CA 1.627 57.402 55.803 -0.047 0.000 0.840 352 Q CB 0.094 28.807 28.738 -0.041 0.000 0.898 352 Q HN 0.338 nan 8.270 nan 0.000 0.430 353 E N -0.939 119.256 120.200 -0.008 0.000 2.033 353 E HA -0.044 4.307 4.350 0.001 0.000 0.189 353 E C -0.186 176.417 176.600 0.005 0.000 0.979 353 E CA 0.889 57.309 56.400 0.034 0.000 0.802 353 E CB 0.327 30.078 29.700 0.084 0.000 0.763 353 E HN 0.150 nan 8.360 nan 0.000 0.449 354 V N 3.748 123.659 119.914 -0.004 0.000 2.153 354 V HA 0.052 4.172 4.120 0.001 0.000 0.250 354 V C 0.392 176.520 176.094 0.057 0.000 1.334 354 V CA 0.011 62.294 62.300 -0.028 0.000 1.249 354 V CB -0.407 31.437 31.823 0.036 0.000 1.371 354 V HN 0.248 nan 8.190 nan 0.000 0.498 355 S N 2.925 118.619 115.700 -0.010 0.000 2.652 355 S HA 0.604 5.075 4.470 0.001 0.000 0.267 355 S C 1.664 176.249 174.600 -0.024 0.000 1.201 355 S CA 0.008 58.215 58.200 0.012 0.000 0.996 355 S CB 1.486 64.669 63.200 -0.028 0.000 1.054 355 S HN 0.629 nan 8.310 nan 0.000 0.561 356 A N 0.285 123.081 122.820 -0.040 0.000 1.948 356 A HA -0.041 4.280 4.320 0.001 0.000 0.220 356 A C 2.170 179.685 177.584 -0.115 0.000 1.177 356 A CA 1.896 53.876 52.037 -0.095 0.000 0.636 356 A CB -1.509 17.423 19.000 -0.113 0.000 0.815 356 A HN 0.753 nan 8.150 nan 0.000 0.449 357 V N -0.507 119.340 119.914 -0.112 0.000 2.343 357 V HA -0.232 3.888 4.120 0.001 0.000 0.247 357 V C 2.551 178.608 176.094 -0.063 0.000 1.051 357 V CA 2.025 64.263 62.300 -0.104 0.000 1.036 357 V CB -0.745 31.017 31.823 -0.102 0.000 0.654 357 V HN 0.393 nan 8.190 nan 0.000 0.451 358 V N -0.257 119.606 119.914 -0.084 0.000 2.358 358 V HA -0.209 3.911 4.120 0.001 0.000 0.246 358 V C 2.287 178.356 176.094 -0.042 0.000 1.047 358 V CA 1.688 63.939 62.300 -0.082 0.000 1.035 358 V CB -0.530 31.110 31.823 -0.305 0.000 0.658 358 V HN 0.438 nan 8.190 nan 0.000 0.452 359 L N -0.652 120.513 121.223 -0.096 0.000 2.046 359 L HA -0.199 4.142 4.340 0.001 0.000 0.208 359 L C 2.482 179.288 176.870 -0.108 0.000 1.077 359 L CA 1.355 56.117 54.840 -0.130 0.000 0.747 359 L CB -0.660 41.264 42.059 -0.225 0.000 0.896 359 L HN 0.343 nan 8.230 nan 0.000 0.432 360 L N -0.958 120.217 121.223 -0.080 0.000 2.046 360 L HA -0.267 4.074 4.340 0.001 0.000 0.208 360 L C 2.522 179.333 176.870 -0.099 0.000 1.077 360 L CA 1.707 56.492 54.840 -0.092 0.000 0.747 360 L CB -0.741 41.319 42.059 0.001 0.000 0.896 360 L HN 0.189 nan 8.230 nan 0.000 0.432 361 Y N -0.227 119.989 120.300 -0.139 0.000 2.181 361 Y HA -0.248 4.302 4.550 0.001 0.000 0.288 361 Y C 2.314 178.161 175.900 -0.089 0.000 1.146 361 Y CA 2.040 60.082 58.100 -0.096 0.000 1.164 361 Y CB -0.394 38.036 38.460 -0.050 0.000 0.982 361 Y HN 0.226 nan 8.280 nan 0.000 0.515 362 M N -0.552 118.954 119.600 -0.157 0.000 2.132 362 M HA -0.163 4.318 4.480 0.001 0.000 0.263 362 M C 2.475 178.673 176.300 -0.168 0.000 1.065 362 M CA 1.681 56.846 55.300 -0.226 0.000 1.122 362 M CB -0.591 31.943 32.600 -0.110 0.000 1.365 362 M HN 0.369 nan 8.290 nan 0.000 0.411 363 A N 0.054 122.765 122.820 -0.181 0.000 1.902 363 A HA -0.145 4.176 4.320 0.001 0.000 0.217 363 A C 2.185 179.640 177.584 -0.215 0.000 1.181 363 A CA 2.231 54.173 52.037 -0.157 0.000 0.623 363 A CB -1.153 17.663 19.000 -0.307 0.000 0.818 363 A HN 0.463 nan 8.150 nan 0.000 0.443 364 T N 0.133 114.414 114.554 -0.456 0.000 2.746 364 T HA -0.189 4.162 4.350 0.001 0.000 0.267 364 T C 2.050 176.797 174.700 0.077 0.000 1.039 364 T CA 1.756 63.722 62.100 -0.223 0.000 1.142 364 T CB -0.303 68.487 68.868 -0.131 0.000 0.866 364 T HN 0.631 nan 8.240 nan 0.000 0.444 365 Q N 0.209 119.977 119.800 -0.053 0.000 2.124 365 Q HA -0.021 4.320 4.340 0.001 0.000 0.202 365 Q C 2.351 178.337 176.000 -0.024 0.000 0.977 365 Q CA 1.208 56.980 55.803 -0.052 0.000 0.850 365 Q CB -0.394 28.203 28.738 -0.235 0.000 0.901 365 Q HN 0.529 nan 8.270 nan 0.000 0.429 366 I N 0.662 121.233 120.570 0.002 0.000 2.252 366 I HA -0.268 3.903 4.170 0.001 0.000 0.245 366 I C 2.592 178.674 176.117 -0.060 0.000 1.102 366 I CA 1.297 62.613 61.300 0.026 0.000 1.385 366 I CB -0.401 37.724 38.000 0.208 0.000 1.064 366 I HN 0.233 nan 8.210 nan 0.000 0.414 367 S N -0.658 115.051 115.700 0.016 0.000 2.419 367 S HA -0.187 4.284 4.470 0.001 0.000 0.233 367 S C 2.116 176.653 174.600 -0.105 0.000 1.016 367 S CA 1.497 59.636 58.200 -0.101 0.000 0.974 367 S CB -0.444 62.883 63.200 0.212 0.000 0.786 367 S HN 0.396 nan 8.310 nan 0.000 0.492 368 S N 1.597 117.243 115.700 -0.090 0.000 2.368 368 S HA 0.111 4.582 4.470 0.001 0.000 0.224 368 S C 2.129 176.475 174.600 -0.424 0.000 1.029 368 S CA 1.054 59.075 58.200 -0.299 0.000 0.988 368 S CB -0.855 62.266 63.200 -0.132 0.000 0.838 368 S HN 0.791 nan 8.310 nan 0.000 0.462 369 A N 1.591 124.151 122.820 -0.434 0.000 1.930 369 A HA 0.021 4.342 4.320 0.001 0.000 0.217 369 A C 2.181 179.507 177.584 -0.431 0.000 1.175 369 A CA 1.446 53.122 52.037 -0.602 0.000 0.627 369 A CB -0.489 18.308 19.000 -0.337 0.000 0.815 369 A HN 0.534 nan 8.150 nan 0.000 0.443 370 M N -0.631 118.671 119.600 -0.497 0.000 2.319 370 M HA -0.048 4.433 4.480 0.001 0.000 0.265 370 M C 1.931 177.950 176.300 -0.470 0.000 1.068 370 M CA 1.369 56.225 55.300 -0.739 0.000 1.118 370 M CB -1.212 30.326 32.600 -1.771 0.000 1.395 370 M HN 0.709 nan 8.290 nan 0.000 0.435 371 E N -0.318 119.727 120.200 -0.259 0.000 2.110 371 E HA -0.245 4.106 4.350 0.001 0.000 0.193 371 E C 2.036 178.624 176.600 -0.020 0.000 0.988 371 E CA 1.158 57.539 56.400 -0.032 0.000 0.804 371 E CB -0.171 29.510 29.700 -0.031 0.000 0.745 371 E HN 0.481 nan 8.360 nan 0.000 0.458 372 Y N 1.153 121.322 120.300 -0.219 0.000 2.145 372 Y HA -0.190 4.361 4.550 0.001 0.000 0.286 372 Y C 1.990 177.864 175.900 -0.045 0.000 1.145 372 Y CA 1.738 59.755 58.100 -0.140 0.000 1.148 372 Y CB -0.212 38.074 38.460 -0.290 0.000 0.981 372 Y HN 0.019 nan 8.280 nan 0.000 0.507 373 L N 0.211 121.448 121.223 0.023 0.000 2.083 373 L HA -0.218 4.123 4.340 0.001 0.000 0.209 373 L C 2.559 179.466 176.870 0.061 0.000 1.083 373 L CA 1.896 56.780 54.840 0.074 0.000 0.752 373 L CB -0.672 41.418 42.059 0.052 0.000 0.899 373 L HN 0.359 nan 8.230 nan 0.000 0.433 374 E N 1.396 121.613 120.200 0.028 0.000 2.038 374 E HA -0.288 4.063 4.350 0.001 0.000 0.195 374 E C 2.117 178.719 176.600 0.003 0.000 1.000 374 E CA 1.900 58.345 56.400 0.076 0.000 0.803 374 E CB 0.025 29.826 29.700 0.168 0.000 0.750 374 E HN 0.540 nan 8.360 nan 0.000 0.448 375 K N 0.131 120.505 120.400 -0.043 0.000 2.288 375 K HA -0.085 4.236 4.320 0.001 0.000 0.201 375 K C 1.457 177.974 176.600 -0.139 0.000 1.048 375 K CA 1.074 57.315 56.287 -0.076 0.000 0.956 375 K CB 0.039 32.500 32.500 -0.065 0.000 0.746 375 K HN -0.030 nan 8.250 nan 0.000 0.461 376 K N 1.108 121.393 120.400 -0.192 0.000 2.437 376 K HA 0.093 4.414 4.320 0.001 0.000 0.198 376 K C -0.449 175.914 176.600 -0.395 0.000 1.024 376 K CA -0.047 56.091 56.287 -0.247 0.000 1.148 376 K CB 0.004 32.394 32.500 -0.184 0.000 0.860 376 K HN 0.228 nan 8.250 nan 0.000 0.515 377 N N 0.486 119.037 118.700 -0.249 0.000 2.735 377 N HA -0.192 4.549 4.740 0.001 0.000 0.248 377 N C -0.796 174.516 175.510 -0.330 0.000 1.083 377 N CA 1.108 54.007 53.050 -0.251 0.000 0.703 377 N CB -1.743 36.586 38.487 -0.264 0.000 1.005 377 N HN 0.157 nan 8.380 nan 0.000 0.550 378 F N 0.164 120.085 119.950 -0.048 0.000 2.483 378 F HA 0.674 5.202 4.527 0.001 0.000 0.329 378 F C 1.134 176.936 175.800 0.002 0.000 1.064 378 F CA -0.821 57.157 58.000 -0.038 0.000 0.986 378 F CB 1.360 40.323 39.000 -0.061 0.000 1.218 378 F HN -0.175 nan 8.300 nan 0.000 0.484 379 I N 1.178 121.892 120.570 0.240 0.000 2.689 379 I HA 0.186 4.357 4.170 0.001 0.000 0.299 379 I C 0.555 176.760 176.117 0.147 0.000 1.059 379 I CA -0.619 60.795 61.300 0.190 0.000 1.055 379 I CB 2.105 40.205 38.000 0.167 0.000 1.243 379 I HN 0.696 nan 8.210 nan 0.000 0.425 380 H N 4.646 123.765 119.070 0.082 0.000 2.344 380 H HA 0.166 4.723 4.556 0.001 0.000 0.307 380 H C 1.311 176.651 175.328 0.020 0.000 1.057 380 H CA 1.722 57.781 56.048 0.018 0.000 1.373 380 H CB 0.563 30.326 29.762 0.002 0.000 1.421 380 H HN 0.659 nan 8.280 nan 0.000 0.532 381 R N -0.689 119.990 120.500 0.298 0.000 3.405 381 R HA -0.165 4.175 4.340 0.001 0.000 0.458 381 R C -0.721 175.723 176.300 0.240 0.000 0.589 381 R CA 1.322 57.543 56.100 0.202 0.000 1.480 381 R CB -1.175 29.084 30.300 -0.067 0.000 2.107 381 R HN 0.409 nan 8.270 nan 0.000 0.379 382 D N 0.204 120.877 120.400 0.455 0.000 3.100 382 D HA 0.150 4.791 4.640 0.001 0.000 0.350 382 D C -1.282 175.094 176.300 0.127 0.000 1.310 382 D CA -0.377 53.790 54.000 0.278 0.000 0.741 382 D CB 0.359 41.280 40.800 0.202 0.000 1.248 382 D HN 0.063 nan 8.370 nan 0.000 0.527 383 L N 1.623 122.828 121.223 -0.030 0.000 2.410 383 L HA 0.713 5.054 4.340 0.001 0.000 0.273 383 L C -0.355 176.503 176.870 -0.021 0.000 1.152 383 L CA 0.287 54.978 54.840 -0.247 0.000 0.855 383 L CB 0.571 42.567 42.059 -0.105 0.000 1.129 383 L HN 0.296 nan 8.230 nan 0.000 0.463 384 A N 3.646 126.425 122.820 -0.069 0.000 2.567 384 A HA 0.643 4.964 4.320 0.001 0.000 0.291 384 A C 0.341 177.948 177.584 0.038 0.000 1.048 384 A CA -0.126 51.892 52.037 -0.032 0.000 0.661 384 A CB -0.037 18.597 19.000 -0.610 0.000 1.288 384 A HN 1.044 nan 8.150 nan 0.000 0.424 385 A N 0.529 123.446 122.820 0.161 0.000 1.972 385 A HA -0.112 4.209 4.320 0.001 0.000 0.219 385 A C 1.893 179.554 177.584 0.128 0.000 1.169 385 A CA 1.966 54.091 52.037 0.147 0.000 0.635 385 A CB -0.635 18.485 19.000 0.200 0.000 0.810 385 A HN 1.143 nan 8.150 nan 0.000 0.446 386 R N -0.877 119.683 120.500 0.100 0.000 2.241 386 R HA -0.021 4.320 4.340 0.001 0.000 0.224 386 R C 0.541 176.992 176.300 0.252 0.000 1.101 386 R CA 1.480 57.674 56.100 0.157 0.000 0.995 386 R CB -0.439 29.916 30.300 0.091 0.000 0.870 386 R HN 0.287 nan 8.270 nan 0.000 0.463 387 N N 0.019 118.770 118.700 0.085 0.000 2.251 387 N HA 0.124 4.864 4.740 0.001 0.000 0.217 387 N C -0.941 174.449 175.510 -0.200 0.000 1.124 387 N CA -0.066 52.910 53.050 -0.123 0.000 0.843 387 N CB 0.453 38.829 38.487 -0.185 0.000 1.024 387 N HN 0.168 nan 8.380 nan 0.000 0.501 388 C N 0.465 119.775 119.300 0.016 0.000 2.529 388 C HA 0.615 5.075 4.460 0.001 0.000 0.329 388 C C 0.237 175.289 174.990 0.103 0.000 1.194 388 C CA -0.881 58.139 59.018 0.004 0.000 1.779 388 C CB 1.294 29.041 27.740 0.011 0.000 2.322 388 C HN 0.156 nan 8.230 nan 0.000 0.500 389 L N 1.680 122.933 121.223 0.050 0.000 2.333 389 L HA 0.813 5.154 4.340 0.001 0.000 0.269 389 L C -0.816 176.031 176.870 -0.039 0.000 1.010 389 L CA -0.627 54.235 54.840 0.037 0.000 0.818 389 L CB 1.722 43.792 42.059 0.018 0.000 1.306 389 L HN 0.327 nan 8.230 nan 0.000 0.430 390 V N 0.794 120.663 119.914 -0.074 0.000 2.540 390 V HA 0.727 4.848 4.120 0.001 0.000 0.302 390 V C 0.355 176.431 176.094 -0.030 0.000 1.035 390 V CA -0.348 61.866 62.300 -0.143 0.000 0.873 390 V CB 1.478 33.038 31.823 -0.438 0.000 0.992 390 V HN 0.923 nan 8.190 nan 0.000 0.428 391 G N 2.741 111.542 108.800 0.002 0.000 3.119 391 G HA2 0.617 4.578 3.960 0.001 0.000 0.206 391 G HA3 0.617 4.578 3.960 0.001 0.000 0.206 391 G C -0.673 174.339 174.900 0.187 0.000 1.313 391 G CA -0.551 44.609 45.100 0.100 0.000 1.010 391 G HN 0.578 nan 8.290 nan 0.000 0.578 392 E N 0.745 121.039 120.200 0.156 0.000 2.415 392 E HA 0.168 4.519 4.350 0.001 0.000 0.262 392 E C 0.201 176.796 176.600 -0.009 0.000 1.038 392 E CA 0.132 56.609 56.400 0.128 0.000 0.921 392 E CB 0.212 29.969 29.700 0.095 0.000 0.950 392 E HN 0.410 nan 8.360 nan 0.000 0.438 393 N N 2.631 121.247 118.700 -0.141 0.000 2.721 393 N HA -0.260 4.480 4.740 0.001 0.000 0.249 393 N C -0.864 174.572 175.510 -0.124 0.000 1.072 393 N CA 1.253 54.170 53.050 -0.222 0.000 0.710 393 N CB -1.752 36.721 38.487 -0.024 0.000 0.993 393 N HN 0.782 nan 8.380 nan 0.000 0.547 394 H N -3.858 115.227 119.070 0.025 0.000 2.861 394 H HA -0.206 4.350 4.556 0.001 0.000 0.289 394 H C 0.579 175.887 175.328 -0.034 0.000 1.176 394 H CA 0.753 56.810 56.048 0.015 0.000 1.146 394 H CB -1.264 28.605 29.762 0.179 0.000 1.330 394 H HN 0.396 nan 8.280 nan 0.000 0.379 395 L N 1.001 122.247 121.223 0.037 0.000 2.410 395 L HA 0.379 4.720 4.340 0.001 0.000 0.273 395 L C -0.102 176.711 176.870 -0.095 0.000 1.152 395 L CA -0.012 54.806 54.840 -0.038 0.000 0.855 395 L CB 0.831 42.891 42.059 0.002 0.000 1.129 395 L HN 0.095 nan 8.230 nan 0.000 0.463 396 V N 5.466 125.292 119.914 -0.146 0.000 2.604 396 V HA 0.557 4.678 4.120 0.001 0.000 0.305 396 V C -0.295 175.746 176.094 -0.089 0.000 1.043 396 V CA -0.878 61.352 62.300 -0.117 0.000 0.888 396 V CB 1.875 33.619 31.823 -0.131 0.000 0.995 396 V HN 0.753 nan 8.190 nan 0.000 0.429 397 K N 2.949 123.308 120.400 -0.069 0.000 2.378 397 K HA 0.654 4.974 4.320 0.001 0.000 0.252 397 K C -1.308 175.245 176.600 -0.078 0.000 0.931 397 K CA -0.801 55.446 56.287 -0.066 0.000 0.794 397 K CB 2.747 35.211 32.500 -0.060 0.000 1.181 397 K HN 0.388 nan 8.250 nan 0.000 0.425 398 V N 2.364 122.221 119.914 -0.095 0.000 2.530 398 V HA 0.396 4.516 4.120 0.001 0.000 0.282 398 V C 0.205 176.216 176.094 -0.138 0.000 1.048 398 V CA -0.042 62.190 62.300 -0.114 0.000 0.997 398 V CB 1.015 32.769 31.823 -0.116 0.000 0.987 398 V HN 0.974 nan 8.190 nan 0.000 0.477 399 A N 3.818 126.501 122.820 -0.228 0.000 2.470 399 A HA 0.870 5.191 4.320 0.001 0.000 0.271 399 A C -1.052 176.298 177.584 -0.390 0.000 1.269 399 A CA -0.490 51.319 52.037 -0.380 0.000 0.828 399 A CB 1.790 20.402 19.000 -0.646 0.000 1.374 399 A HN 0.686 nan 8.150 nan 0.000 0.454 400 D N -0.928 119.156 120.400 -0.526 0.000 2.319 400 D HA 0.374 5.015 4.640 0.001 0.000 0.237 400 D C -0.968 175.186 176.300 -0.243 0.000 1.353 400 D CA -0.253 53.524 54.000 -0.372 0.000 0.992 400 D CB 0.035 40.588 40.800 -0.412 0.000 1.368 400 D HN 0.289 nan 8.370 nan 0.000 0.564 401 F N 1.648 121.612 119.950 0.024 0.000 2.773 401 F HA 0.258 4.785 4.527 0.001 0.000 0.304 401 F C 1.948 177.754 175.800 0.009 0.000 1.129 401 F CA -0.218 57.807 58.000 0.041 0.000 1.378 401 F CB 0.563 39.666 39.000 0.173 0.000 1.095 401 F HN 0.591 nan 8.300 nan 0.000 0.565 402 G N 1.924 110.778 108.800 0.090 0.000 2.386 402 G HA2 -0.293 3.668 3.960 0.001 0.000 0.295 402 G HA3 -0.293 3.668 3.960 0.001 0.000 0.295 402 G C 0.692 175.575 174.900 -0.029 0.000 0.979 402 G CA 0.165 45.267 45.100 0.002 0.000 1.193 402 G HN 0.511 nan 8.290 nan 0.000 0.508 403 L N 0.664 121.856 121.223 -0.053 0.000 2.313 403 L HA -0.079 4.262 4.340 0.001 0.000 0.214 403 L C 3.068 179.541 176.870 -0.662 0.000 1.119 403 L CA 1.274 55.999 54.840 -0.190 0.000 0.809 403 L CB -0.677 41.385 42.059 0.005 0.000 0.933 403 L HN 0.689 nan 8.230 nan 0.000 0.449 404 S N 1.287 116.464 115.700 -0.870 0.000 2.426 404 S HA -0.366 4.104 4.470 0.001 0.000 0.253 404 S C 1.979 176.220 174.600 -0.599 0.000 1.104 404 S CA 2.056 59.637 58.200 -1.031 0.000 1.158 404 S CB -0.497 62.489 63.200 -0.357 0.000 1.043 404 S HN 0.534 nan 8.310 nan 0.000 0.443 405 R N 0.402 120.718 120.500 -0.307 0.000 2.282 405 R HA 0.437 4.778 4.340 0.001 0.000 0.195 405 R C 2.283 178.513 176.300 -0.117 0.000 0.909 405 R CA 0.434 56.444 56.100 -0.150 0.000 1.039 405 R CB -0.173 30.081 30.300 -0.076 0.000 1.015 405 R HN 0.411 nan 8.270 nan 0.000 0.513 406 L N 0.295 121.433 121.223 -0.142 0.000 2.095 406 L HA 0.063 4.403 4.340 0.001 0.000 0.204 406 L C 1.190 178.011 176.870 -0.081 0.000 1.080 406 L CA 0.552 55.338 54.840 -0.091 0.000 0.759 406 L CB -0.235 41.778 42.059 -0.077 0.000 0.914 406 L HN 0.128 nan 8.230 nan 0.000 0.439 407 M N 1.213 120.754 119.600 -0.099 0.000 2.250 407 M HA 0.030 4.510 4.480 0.001 0.000 0.337 407 M C 0.458 176.784 176.300 0.043 0.000 1.161 407 M CA 0.787 56.089 55.300 0.003 0.000 1.088 407 M CB 0.356 33.047 32.600 0.152 0.000 1.639 407 M HN 0.241 nan 8.290 nan 0.000 0.447 408 T N -0.303 114.282 114.554 0.052 0.000 2.949 408 T HA 0.856 5.207 4.350 0.001 0.000 0.287 408 T C 0.442 175.193 174.700 0.086 0.000 1.034 408 T CA -0.014 62.118 62.100 0.055 0.000 1.018 408 T CB 1.902 70.786 68.868 0.026 0.000 1.135 408 T HN 1.055 nan 8.240 nan 0.000 0.532 409 G N 0.538 109.386 108.800 0.080 0.000 2.615 409 G HA2 -0.157 3.804 3.960 0.001 0.000 0.218 409 G HA3 -0.157 3.804 3.960 0.001 0.000 0.218 409 G C -0.151 174.816 174.900 0.111 0.000 1.339 409 G CA 0.089 45.243 45.100 0.089 0.000 0.884 409 G HN 0.747 nan 8.290 nan 0.000 0.559 410 D N 0.101 120.570 120.400 0.114 0.000 2.339 410 D HA 0.125 4.765 4.640 0.001 0.000 0.217 410 D C 2.403 178.787 176.300 0.140 0.000 1.050 410 D CA 1.076 55.150 54.000 0.122 0.000 0.856 410 D CB -0.063 40.801 40.800 0.106 0.000 0.922 410 D HN 0.390 nan 8.370 nan 0.000 0.518 411 T N 0.225 114.861 114.554 0.137 0.000 2.607 411 T HA -0.194 4.156 4.350 0.001 0.000 0.267 411 T C 0.501 175.160 174.700 -0.069 0.000 1.049 411 T CA 1.283 63.410 62.100 0.044 0.000 1.162 411 T CB -0.187 68.654 68.868 -0.044 0.000 0.863 411 T HN 0.148 nan 8.240 nan 0.000 0.424 412 Y N 1.757 122.119 120.300 0.103 0.000 2.331 412 Y HA 0.468 5.018 4.550 0.001 0.000 0.338 412 Y C 0.658 176.637 175.900 0.131 0.000 0.976 412 Y CA -1.111 57.064 58.100 0.124 0.000 1.137 412 Y CB 1.092 39.606 38.460 0.090 0.000 1.172 412 Y HN 0.076 nan 8.280 nan 0.000 0.478 413 T N -0.612 114.110 114.554 0.280 0.000 2.916 413 T HA 0.829 5.179 4.350 0.001 0.000 0.292 413 T C -0.120 174.705 174.700 0.208 0.000 1.055 413 T CA -1.206 61.014 62.100 0.200 0.000 1.009 413 T CB 1.567 70.516 68.868 0.136 0.000 1.118 413 T HN 0.795 nan 8.240 nan 0.000 0.497 414 A N 1.634 124.540 122.820 0.143 0.000 2.565 414 A HA 0.463 4.784 4.320 0.001 0.000 0.237 414 A C 0.069 177.710 177.584 0.096 0.000 1.053 414 A CA 0.394 52.496 52.037 0.109 0.000 0.755 414 A CB -0.915 18.119 19.000 0.056 0.000 0.980 414 A HN 1.297 nan 8.150 nan 0.000 0.506 415 H N 0.378 119.371 119.070 -0.129 0.000 3.153 415 H HA 0.441 4.997 4.556 0.001 0.000 0.323 415 H C -0.020 175.014 175.328 -0.490 0.000 1.096 415 H CA 0.498 56.324 56.048 -0.370 0.000 1.385 415 H CB 0.646 30.047 29.762 -0.602 0.000 2.027 415 H HN 2.056 nan 8.280 nan 0.000 0.499 416 A N 2.937 125.238 122.820 -0.866 0.000 2.748 416 A HA 0.017 4.338 4.320 0.001 0.000 0.297 416 A C 1.956 179.433 177.584 -0.179 0.000 1.508 416 A CA 2.037 53.753 52.037 -0.535 0.000 0.799 416 A CB -2.268 16.403 19.000 -0.549 0.000 1.011 416 A HN 2.401 nan 8.150 nan 0.000 0.500 417 G N -3.634 105.090 108.800 -0.126 0.000 2.184 417 G HA2 0.174 4.135 3.960 0.001 0.000 0.264 417 G HA3 0.174 4.135 3.960 0.001 0.000 0.264 417 G C 0.775 175.710 174.900 0.058 0.000 0.975 417 G CA 1.488 46.576 45.100 -0.021 0.000 0.642 417 G HN 2.638 nan 8.290 nan 0.000 0.536 418 A N -1.099 121.799 122.820 0.130 0.000 2.486 418 A HA 0.866 5.186 4.320 0.001 0.000 0.277 418 A C -0.440 177.342 177.584 0.330 0.000 1.282 418 A CA -0.500 51.692 52.037 0.258 0.000 0.784 418 A CB 1.090 20.343 19.000 0.421 0.000 1.350 418 A HN 0.141 nan 8.150 nan 0.000 0.454 419 K N 1.031 121.663 120.400 0.386 0.000 2.367 419 K HA 0.491 4.811 4.320 0.001 0.000 0.263 419 K C -1.839 175.157 176.600 0.661 0.000 1.000 419 K CA 0.286 56.821 56.287 0.412 0.000 0.891 419 K CB 0.615 33.254 32.500 0.231 0.000 1.117 419 K HN 0.546 nan 8.250 nan 0.000 0.443 420 F N 4.313 124.436 119.950 0.289 0.000 2.443 420 F HA 0.290 4.818 4.527 0.001 0.000 0.335 420 F C -1.540 174.356 175.800 0.159 0.000 1.104 420 F CA -2.379 55.784 58.000 0.270 0.000 1.013 420 F CB 2.040 41.149 39.000 0.183 0.000 1.136 420 F HN 0.231 nan 8.300 nan 0.000 0.470 421 P HA 0.087 nan 4.420 nan 0.000 0.241 421 P C 0.825 178.269 177.300 0.241 0.000 1.780 421 P CA -0.078 62.937 63.100 -0.142 0.000 1.111 421 P CB 0.172 31.499 31.700 -0.622 0.000 1.852 422 I N 2.392 123.098 120.570 0.226 0.000 2.185 422 I HA -0.264 3.906 4.170 0.001 0.000 0.246 422 I C 1.878 178.092 176.117 0.162 0.000 1.088 422 I CA 1.806 63.199 61.300 0.153 0.000 1.347 422 I CB -1.173 36.844 38.000 0.028 0.000 1.041 422 I HN 0.313 nan 8.210 nan 0.000 0.415 423 K N -1.019 119.521 120.400 0.233 0.000 2.442 423 K HA -0.141 4.180 4.320 0.001 0.000 0.198 423 K C 1.595 178.265 176.600 0.116 0.000 1.042 423 K CA 0.773 57.117 56.287 0.095 0.000 0.958 423 K CB -0.006 32.471 32.500 -0.038 0.000 0.766 423 K HN 0.473 nan 8.250 nan 0.000 0.474 424 W N 1.038 122.445 121.300 0.178 0.000 3.008 424 W HA 0.125 4.786 4.660 0.001 0.000 0.355 424 W C -0.207 176.487 176.519 0.291 0.000 1.095 424 W CA -0.286 57.217 57.345 0.264 0.000 1.738 424 W CB 0.643 30.208 29.460 0.176 0.000 1.091 424 W HN -0.201 nan 8.180 nan 0.000 0.574 425 T N 1.596 116.360 114.554 0.351 0.000 2.771 425 T HA 0.484 4.834 4.350 0.001 0.000 0.291 425 T C 0.469 174.981 174.700 -0.314 0.000 0.954 425 T CA -0.261 61.909 62.100 0.117 0.000 1.045 425 T CB 1.934 70.896 68.868 0.157 0.000 0.917 425 T HN -0.004 nan 8.240 nan 0.000 0.484 426 A N 5.841 128.327 122.820 -0.557 0.000 2.466 426 A HA 0.367 4.688 4.320 0.001 0.000 0.238 426 A C -0.722 176.324 177.584 -0.897 0.000 1.074 426 A CA -1.205 50.090 52.037 -1.236 0.000 0.774 426 A CB -0.050 18.556 19.000 -0.657 0.000 1.015 426 A HN 0.547 nan 8.150 nan 0.000 0.498 427 P HA -0.236 nan 4.420 nan 0.000 0.216 427 P C 1.095 178.213 177.300 -0.303 0.000 1.153 427 P CA 1.779 64.483 63.100 -0.660 0.000 0.858 427 P CB 0.004 30.893 31.700 -1.352 0.000 0.789 428 E N 0.200 120.151 120.200 -0.414 0.000 2.268 428 E HA -0.075 4.276 4.350 0.001 0.000 0.195 428 E C 1.657 178.184 176.600 -0.121 0.000 0.995 428 E CA 1.082 57.406 56.400 -0.128 0.000 0.836 428 E CB -1.015 28.562 29.700 -0.205 0.000 0.763 428 E HN 0.180 nan 8.360 nan 0.000 0.491 429 S N 1.082 116.582 115.700 -0.333 0.000 2.395 429 S HA 0.083 4.554 4.470 0.001 0.000 0.225 429 S C 2.130 176.698 174.600 -0.053 0.000 1.027 429 S CA 0.549 58.460 58.200 -0.481 0.000 0.965 429 S CB -0.175 62.428 63.200 -0.995 0.000 0.812 429 S HN 0.179 nan 8.310 nan 0.000 0.482 430 L N 0.945 122.137 121.223 -0.051 0.000 2.027 430 L HA -0.062 4.278 4.340 0.001 0.000 0.206 430 L C 2.668 179.525 176.870 -0.022 0.000 1.074 430 L CA 1.392 56.234 54.840 0.004 0.000 0.745 430 L CB -0.497 41.498 42.059 -0.107 0.000 0.898 430 L HN 0.346 nan 8.230 nan 0.000 0.433 431 A N -1.818 120.876 122.820 -0.209 0.000 2.030 431 A HA -0.036 4.285 4.320 0.001 0.000 0.215 431 A C 1.249 178.406 177.584 -0.711 0.000 1.164 431 A CA 0.701 52.402 52.037 -0.559 0.000 0.697 431 A CB -0.123 18.415 19.000 -0.771 0.000 0.827 431 A HN 0.467 nan 8.150 nan 0.000 0.457 432 Y N -1.487 118.781 120.300 -0.052 0.000 2.626 432 Y HA 0.290 4.840 4.550 0.001 0.000 0.248 432 Y C 0.709 176.621 175.900 0.020 0.000 1.147 432 Y CA -0.744 57.343 58.100 -0.023 0.000 1.219 432 Y CB 0.302 38.745 38.460 -0.029 0.000 1.279 432 Y HN 0.273 nan 8.280 nan 0.000 0.541 433 N N 1.539 120.332 118.700 0.155 0.000 2.721 433 N HA -0.216 4.525 4.740 0.001 0.000 0.249 433 N C -0.354 175.304 175.510 0.246 0.000 1.072 433 N CA 0.778 53.995 53.050 0.279 0.000 0.710 433 N CB -0.464 38.199 38.487 0.294 0.000 0.993 433 N HN 0.239 nan 8.380 nan 0.000 0.547 434 K N 0.870 121.293 120.400 0.039 0.000 2.253 434 K HA 0.406 4.726 4.320 0.001 0.000 0.277 434 K C -1.082 175.416 176.600 -0.170 0.000 1.053 434 K CA -0.134 56.167 56.287 0.024 0.000 0.892 434 K CB 0.082 32.578 32.500 -0.007 0.000 1.102 434 K HN 0.026 nan 8.250 nan 0.000 0.469 435 F N 2.316 122.303 119.950 0.061 0.000 2.508 435 F HA 0.576 5.104 4.527 0.001 0.000 0.325 435 F C 0.450 176.284 175.800 0.056 0.000 1.090 435 F CA -0.115 57.919 58.000 0.056 0.000 0.945 435 F CB 2.127 41.155 39.000 0.048 0.000 1.156 435 F HN 0.707 nan 8.300 nan 0.000 0.463 436 S N 1.620 117.450 115.700 0.218 0.000 2.661 436 S HA 0.359 4.829 4.470 0.001 0.000 0.268 436 S C 0.075 174.788 174.600 0.189 0.000 1.162 436 S CA -0.747 57.550 58.200 0.161 0.000 0.817 436 S CB 0.834 64.087 63.200 0.089 0.000 1.141 436 S HN 0.499 nan 8.310 nan 0.000 0.477 437 I N 1.422 122.094 120.570 0.169 0.000 2.454 437 I HA 0.007 4.177 4.170 0.001 0.000 0.254 437 I C 1.911 178.145 176.117 0.195 0.000 1.156 437 I CA 1.577 63.017 61.300 0.233 0.000 1.433 437 I CB -0.425 37.700 38.000 0.210 0.000 1.082 437 I HN 0.594 nan 8.210 nan 0.000 0.432 438 K N 0.267 120.730 120.400 0.106 0.000 2.217 438 K HA 0.015 4.336 4.320 0.001 0.000 0.202 438 K C 2.227 178.903 176.600 0.127 0.000 1.051 438 K CA 1.321 57.645 56.287 0.061 0.000 0.952 438 K CB -0.630 31.884 32.500 0.024 0.000 0.736 438 K HN 0.551 nan 8.250 nan 0.000 0.453 439 S N 0.881 116.665 115.700 0.139 0.000 2.436 439 S HA -0.068 4.403 4.470 0.001 0.000 0.228 439 S C 1.418 176.208 174.600 0.317 0.000 1.014 439 S CA 0.724 59.015 58.200 0.152 0.000 0.950 439 S CB -0.038 63.158 63.200 -0.007 0.000 0.784 439 S HN 0.102 nan 8.310 nan 0.000 0.504 440 D N 1.809 122.422 120.400 0.355 0.000 2.144 440 D HA -0.004 4.637 4.640 0.001 0.000 0.200 440 D C 2.076 178.718 176.300 0.570 0.000 0.978 440 D CA 0.751 55.041 54.000 0.483 0.000 0.833 440 D CB -0.442 40.690 40.800 0.554 0.000 0.961 440 D HN 0.294 nan 8.370 nan 0.000 0.470 441 V N 0.924 121.016 119.914 0.298 0.000 2.343 441 V HA -0.206 3.915 4.120 0.001 0.000 0.247 441 V C 2.190 178.455 176.094 0.286 0.000 1.051 441 V CA 1.328 63.634 62.300 0.010 0.000 1.036 441 V CB -0.459 31.168 31.823 -0.328 0.000 0.654 441 V HN 0.398 nan 8.190 nan 0.000 0.451 442 W N 1.193 122.601 121.300 0.180 0.000 2.335 442 W HA -0.245 4.415 4.660 0.001 0.000 0.311 442 W C 2.472 179.230 176.519 0.400 0.000 1.213 442 W CA 2.446 59.968 57.345 0.295 0.000 1.274 442 W CB -0.554 29.032 29.460 0.210 0.000 1.148 442 W HN 0.298 nan 8.180 nan 0.000 0.498 443 A N 0.218 123.458 122.820 0.700 0.000 1.933 443 A HA -0.248 4.073 4.320 0.001 0.000 0.218 443 A C 1.928 179.828 177.584 0.527 0.000 1.175 443 A CA 1.669 54.091 52.037 0.642 0.000 0.628 443 A CB -1.614 17.719 19.000 0.555 0.000 0.814 443 A HN 0.378 nan 8.150 nan 0.000 0.444 444 F N 1.301 121.474 119.950 0.372 0.000 2.171 444 F HA -0.045 4.483 4.527 0.001 0.000 0.300 444 F C 2.237 178.154 175.800 0.195 0.000 1.090 444 F CA 1.393 59.581 58.000 0.314 0.000 1.293 444 F CB -0.674 38.593 39.000 0.444 0.000 1.013 444 F HN 0.191 nan 8.300 nan 0.000 0.486 445 G N -0.090 108.719 108.800 0.015 0.000 2.422 445 G HA2 -0.209 3.751 3.960 0.001 0.000 0.218 445 G HA3 -0.209 3.751 3.960 0.001 0.000 0.218 445 G C 1.710 176.602 174.900 -0.014 0.000 1.146 445 G CA 1.192 46.069 45.100 -0.371 0.000 0.769 445 G HN 0.348 nan 8.290 nan 0.000 0.547 446 V N 0.755 120.875 119.914 0.343 0.000 2.427 446 V HA -0.094 4.026 4.120 0.001 0.000 0.248 446 V C 2.620 178.834 176.094 0.200 0.000 1.051 446 V CA 1.426 63.877 62.300 0.251 0.000 1.048 446 V CB -0.389 31.397 31.823 -0.061 0.000 0.666 446 V HN 0.358 nan 8.190 nan 0.000 0.456 447 L N 0.029 121.365 121.223 0.189 0.000 2.083 447 L HA -0.093 4.248 4.340 0.001 0.000 0.209 447 L C 2.142 178.989 176.870 -0.038 0.000 1.083 447 L CA 1.804 56.737 54.840 0.156 0.000 0.752 447 L CB -0.881 41.246 42.059 0.113 0.000 0.899 447 L HN 0.283 nan 8.230 nan 0.000 0.433 448 L N -1.331 119.733 121.223 -0.265 0.000 2.083 448 L HA -0.196 4.145 4.340 0.001 0.000 0.209 448 L C 2.248 179.096 176.870 -0.038 0.000 1.083 448 L CA 1.920 56.611 54.840 -0.249 0.000 0.752 448 L CB -1.029 40.807 42.059 -0.372 0.000 0.899 448 L HN 0.549 nan 8.230 nan 0.000 0.433 449 W N 0.686 121.924 121.300 -0.103 0.000 2.388 449 W HA -0.158 4.503 4.660 0.001 0.000 0.294 449 W C 2.318 178.811 176.519 -0.043 0.000 1.212 449 W CA 1.844 59.172 57.345 -0.030 0.000 1.271 449 W CB 0.046 29.544 29.460 0.063 0.000 1.126 449 W HN 0.226 nan 8.180 nan 0.000 0.535 450 E N 0.169 120.516 120.200 0.245 0.000 2.051 450 E HA -0.267 4.084 4.350 0.001 0.000 0.192 450 E C 2.106 178.658 176.600 -0.081 0.000 0.991 450 E CA 1.930 58.412 56.400 0.136 0.000 0.799 450 E CB -0.536 29.328 29.700 0.272 0.000 0.748 450 E HN 0.361 nan 8.360 nan 0.000 0.449 451 I N 1.143 121.659 120.570 -0.090 0.000 2.179 451 I HA -0.262 3.908 4.170 0.001 0.000 0.242 451 I C 2.521 178.428 176.117 -0.350 0.000 1.088 451 I CA 1.019 62.209 61.300 -0.183 0.000 1.357 451 I CB -0.331 37.583 38.000 -0.143 0.000 1.051 451 I HN 0.073 nan 8.210 nan 0.000 0.409 452 A N 0.253 122.877 122.820 -0.327 0.000 2.125 452 A HA -0.168 4.153 4.320 0.001 0.000 0.219 452 A C 2.059 179.359 177.584 -0.473 0.000 1.156 452 A CA 2.027 53.836 52.037 -0.380 0.000 0.671 452 A CB -0.888 17.942 19.000 -0.283 0.000 0.794 452 A HN 0.558 nan 8.150 nan 0.000 0.459 453 T N -7.036 107.192 114.554 -0.543 0.000 3.129 453 T HA 0.291 4.642 4.350 0.001 0.000 0.267 453 T C 0.220 174.827 174.700 -0.154 0.000 1.018 453 T CA -0.017 61.809 62.100 -0.456 0.000 0.903 453 T CB -0.605 67.765 68.868 -0.830 0.000 1.067 453 T HN 0.461 nan 8.240 nan 0.000 0.549 454 Y N 1.214 121.407 120.300 -0.179 0.000 3.589 454 Y HA -0.115 4.435 4.550 0.001 0.000 0.218 454 Y C 1.402 177.265 175.900 -0.062 0.000 1.234 454 Y CA 0.942 58.978 58.100 -0.106 0.000 1.576 454 Y CB -1.993 36.403 38.460 -0.107 0.000 1.487 454 Y HN 0.790 nan 8.280 nan 0.000 0.616 455 G N -0.913 107.902 108.800 0.025 0.000 2.142 455 G HA2 -0.288 3.673 3.960 0.001 0.000 0.225 455 G HA3 -0.288 3.673 3.960 0.001 0.000 0.225 455 G C 0.245 175.218 174.900 0.122 0.000 1.015 455 G CA -0.014 45.146 45.100 0.100 0.000 0.716 455 G HN 0.392 nan 8.290 nan 0.000 0.508 456 M N 0.634 120.267 119.600 0.055 0.000 2.198 456 M HA 0.373 4.854 4.480 0.001 0.000 0.315 456 M C 0.842 177.353 176.300 0.352 0.000 1.134 456 M CA 0.168 55.552 55.300 0.141 0.000 1.171 456 M CB 0.748 33.368 32.600 0.033 0.000 1.413 456 M HN 0.156 nan 8.290 nan 0.000 0.467 457 S N 2.532 118.431 115.700 0.332 0.000 2.513 457 S HA 0.368 4.838 4.470 0.001 0.000 0.276 457 S C -2.147 172.579 174.600 0.211 0.000 1.254 457 S CA -1.182 57.193 58.200 0.292 0.000 1.053 457 S CB 0.359 63.688 63.200 0.217 0.000 0.958 457 S HN 0.409 nan 8.310 nan 0.000 0.491 458 P HA 0.048 nan 4.420 nan 0.000 0.270 458 P C -0.738 176.307 177.300 -0.425 0.000 1.223 458 P CA -0.149 62.497 63.100 -0.756 0.000 0.785 458 P CB -0.055 31.045 31.700 -0.999 0.000 0.923 459 Y N -2.181 117.803 120.300 -0.527 0.000 3.001 459 Y HA -0.177 4.373 4.550 0.001 0.000 0.207 459 Y C -1.302 174.528 175.900 -0.117 0.000 1.231 459 Y CA -0.267 57.679 58.100 -0.255 0.000 1.024 459 Y CB -2.491 35.839 38.460 -0.216 0.000 1.267 459 Y HN 0.391 nan 8.280 nan 0.000 0.501 460 P HA 0.141 nan 4.420 nan 0.000 0.264 460 P C 1.178 178.518 177.300 0.068 0.000 1.193 460 P CA 1.554 64.699 63.100 0.075 0.000 0.763 460 P CB 1.419 33.183 31.700 0.107 0.000 0.810 461 G N 2.967 111.801 108.800 0.056 0.000 2.179 461 G HA2 -0.241 3.719 3.960 0.001 0.000 0.260 461 G HA3 -0.241 3.719 3.960 0.001 0.000 0.260 461 G C 0.125 175.034 174.900 0.015 0.000 0.977 461 G CA -0.156 44.966 45.100 0.036 0.000 0.641 461 G HN 0.537 nan 8.290 nan 0.000 0.533 462 I N 1.980 122.560 120.570 0.016 0.000 2.353 462 I HA 0.351 4.521 4.170 0.001 0.000 0.293 462 I C 0.204 176.301 176.117 -0.034 0.000 0.992 462 I CA -0.669 60.614 61.300 -0.029 0.000 1.268 462 I CB 1.205 39.182 38.000 -0.039 0.000 1.387 462 I HN 0.345 nan 8.210 nan 0.000 0.478 463 D N 5.975 126.347 120.400 -0.047 0.000 2.308 463 D HA 0.155 4.796 4.640 0.001 0.000 0.251 463 D C 0.935 177.200 176.300 -0.057 0.000 1.127 463 D CA -0.475 53.503 54.000 -0.036 0.000 0.876 463 D CB 1.137 41.920 40.800 -0.027 0.000 1.176 463 D HN 0.443 nan 8.370 nan 0.000 0.446 464 L N 2.212 123.408 121.223 -0.045 0.000 2.197 464 L HA -0.254 4.087 4.340 0.001 0.000 0.215 464 L C 2.390 179.226 176.870 -0.056 0.000 1.095 464 L CA 1.617 56.421 54.840 -0.060 0.000 0.764 464 L CB -0.749 41.294 42.059 -0.026 0.000 0.897 464 L HN 0.657 nan 8.230 nan 0.000 0.436 465 S N -1.536 114.142 115.700 -0.038 0.000 2.474 465 S HA -0.139 4.332 4.470 0.001 0.000 0.235 465 S C 1.804 176.386 174.600 -0.029 0.000 0.997 465 S CA 0.601 58.784 58.200 -0.029 0.000 0.949 465 S CB -0.024 63.163 63.200 -0.022 0.000 0.766 465 S HN 0.427 nan 8.310 nan 0.000 0.517 466 Q N 0.279 120.048 119.800 -0.051 0.000 2.281 466 Q HA 0.331 4.671 4.340 0.001 0.000 0.215 466 Q C 2.019 177.971 176.000 -0.080 0.000 0.867 466 Q CA 0.144 55.913 55.803 -0.058 0.000 0.940 466 Q CB 0.222 28.911 28.738 -0.082 0.000 1.111 466 Q HN 0.488 nan 8.270 nan 0.000 0.513 467 V N 0.554 120.404 119.914 -0.108 0.000 2.252 467 V HA -0.307 3.813 4.120 0.001 0.000 0.249 467 V C 1.992 178.044 176.094 -0.071 0.000 1.056 467 V CA 2.073 64.267 62.300 -0.177 0.000 1.022 467 V CB -0.726 30.931 31.823 -0.275 0.000 0.641 467 V HN 0.329 nan 8.190 nan 0.000 0.445 468 Y N 0.670 120.912 120.300 -0.097 0.000 2.097 468 Y HA -0.230 4.321 4.550 0.001 0.000 0.282 468 Y C 2.756 178.676 175.900 0.034 0.000 1.152 468 Y CA 2.140 60.233 58.100 -0.011 0.000 1.136 468 Y CB -0.149 38.304 38.460 -0.013 0.000 0.975 468 Y HN 0.170 nan 8.280 nan 0.000 0.498 469 E N 0.424 120.696 120.200 0.120 0.000 2.085 469 E HA -0.216 4.134 4.350 0.001 0.000 0.194 469 E C 2.305 178.865 176.600 -0.067 0.000 0.994 469 E CA 1.515 57.929 56.400 0.023 0.000 0.801 469 E CB -0.514 29.199 29.700 0.022 0.000 0.743 469 E HN 0.555 nan 8.360 nan 0.000 0.453 470 L N 0.125 121.306 121.223 -0.069 0.000 2.017 470 L HA -0.199 4.142 4.340 0.001 0.000 0.208 470 L C 2.670 179.553 176.870 0.023 0.000 1.073 470 L CA 0.920 55.722 54.840 -0.064 0.000 0.745 470 L CB -0.455 41.503 42.059 -0.168 0.000 0.894 470 L HN 0.140 nan 8.230 nan 0.000 0.432 471 L N -0.609 120.623 121.223 0.015 0.000 2.083 471 L HA -0.219 4.122 4.340 0.001 0.000 0.209 471 L C 2.666 179.519 176.870 -0.028 0.000 1.083 471 L CA 1.169 56.081 54.840 0.120 0.000 0.752 471 L CB -0.574 41.583 42.059 0.164 0.000 0.899 471 L HN 0.357 nan 8.230 nan 0.000 0.433 472 E N 0.547 120.555 120.200 -0.320 0.000 2.204 472 E HA -0.187 4.163 4.350 0.001 0.000 0.195 472 E C 1.077 177.353 176.600 -0.540 0.000 0.990 472 E CA 0.862 56.767 56.400 -0.824 0.000 0.821 472 E CB 0.297 29.638 29.700 -0.598 0.000 0.750 472 E HN 0.253 nan 8.360 nan 0.000 0.477 473 K N 1.125 121.375 120.400 -0.251 0.000 2.500 473 K HA 0.028 4.348 4.320 0.001 0.000 0.206 473 K C -0.384 176.175 176.600 -0.068 0.000 1.034 473 K CA 0.036 56.232 56.287 -0.152 0.000 1.179 473 K CB 0.344 32.794 32.500 -0.084 0.000 0.884 473 K HN 0.087 nan 8.250 nan 0.000 0.493 474 D N -0.456 119.902 120.400 -0.070 0.000 3.090 474 D HA -0.254 4.387 4.640 0.001 0.000 0.215 474 D C -0.126 176.228 176.300 0.090 0.000 1.140 474 D CA 0.739 54.752 54.000 0.021 0.000 0.937 474 D CB -1.874 38.923 40.800 -0.005 0.000 1.108 474 D HN 0.397 nan 8.370 nan 0.000 0.420 475 Y N 1.546 121.848 120.300 0.003 0.000 2.497 475 Y HA 0.299 4.850 4.550 0.001 0.000 0.334 475 Y C 0.640 176.566 175.900 0.044 0.000 1.199 475 Y CA 0.409 58.522 58.100 0.022 0.000 1.425 475 Y CB 0.534 38.996 38.460 0.004 0.000 1.291 475 Y HN -0.142 nan 8.280 nan 0.000 0.562 476 R N 5.585 125.631 120.500 -0.758 0.000 2.680 476 R HA 0.301 4.642 4.340 0.001 0.000 0.269 476 R C -1.029 174.795 176.300 -0.794 0.000 1.026 476 R CA -1.083 54.682 56.100 -0.558 0.000 0.889 476 R CB 1.641 31.845 30.300 -0.160 0.000 1.241 476 R HN 0.856 nan 8.270 nan 0.000 0.463 477 M N 2.325 121.538 119.600 -0.646 0.000 2.251 477 M HA 0.010 4.490 4.480 0.001 0.000 0.343 477 M C 1.117 177.403 176.300 -0.023 0.000 1.245 477 M CA 0.718 55.751 55.300 -0.446 0.000 1.061 477 M CB 0.088 32.233 32.600 -0.758 0.000 1.723 477 M HN 0.440 nan 8.290 nan 0.000 0.449 478 E N 3.113 123.301 120.200 -0.020 0.000 2.410 478 E HA 0.140 4.491 4.350 0.001 0.000 0.255 478 E C -0.240 176.253 176.600 -0.178 0.000 1.194 478 E CA -0.803 55.582 56.400 -0.025 0.000 0.955 478 E CB 0.596 30.267 29.700 -0.048 0.000 0.988 478 E HN 0.581 nan 8.360 nan 0.000 0.461 479 R N 1.878 121.885 120.500 -0.822 0.000 2.458 479 R HA 0.081 4.422 4.340 0.001 0.000 0.303 479 R C -1.883 174.233 176.300 -0.307 0.000 1.013 479 R CA -1.179 54.294 56.100 -1.045 0.000 1.026 479 R CB 0.212 29.862 30.300 -1.083 0.000 0.948 479 R HN 0.460 nan 8.270 nan 0.000 0.417 480 P HA -0.009 nan 4.420 nan 0.000 0.274 480 P C -1.002 176.225 177.300 -0.121 0.000 1.237 480 P CA -0.261 62.782 63.100 -0.095 0.000 0.793 480 P CB 0.593 32.146 31.700 -0.245 0.000 0.977 481 E N 0.742 120.887 120.200 -0.091 0.000 2.652 481 E HA 0.063 4.414 4.350 0.001 0.000 0.255 481 E C 1.182 177.741 176.600 -0.070 0.000 0.952 481 E CA 1.080 57.438 56.400 -0.070 0.000 0.947 481 E CB -0.886 28.785 29.700 -0.048 0.000 0.912 481 E HN 0.784 nan 8.360 nan 0.000 0.489 482 G N 3.290 112.057 108.800 -0.055 0.000 2.184 482 G HA2 -0.374 3.587 3.960 0.001 0.000 0.264 482 G HA3 -0.374 3.587 3.960 0.001 0.000 0.264 482 G C 0.422 175.297 174.900 -0.042 0.000 0.975 482 G CA 0.128 45.203 45.100 -0.042 0.000 0.642 482 G HN 0.782 nan 8.290 nan 0.000 0.536 483 C N 2.811 122.076 119.300 -0.058 0.000 2.629 483 C HA 0.555 5.016 4.460 0.001 0.000 0.410 483 C C -1.162 173.842 174.990 0.023 0.000 1.339 483 C CA -1.590 57.410 59.018 -0.030 0.000 1.810 483 C CB 0.033 27.745 27.740 -0.047 0.000 2.549 483 C HN 0.383 nan 8.230 nan 0.000 0.589 484 P HA 0.090 nan 4.420 nan 0.000 0.268 484 P C 0.481 177.865 177.300 0.141 0.000 1.205 484 P CA 0.426 63.618 63.100 0.153 0.000 0.771 484 P CB 0.539 32.438 31.700 0.333 0.000 0.858 485 E N 2.911 123.178 120.200 0.112 0.000 2.097 485 E HA -0.244 4.107 4.350 0.001 0.000 0.196 485 E C 1.356 178.008 176.600 0.088 0.000 1.000 485 E CA 1.854 58.317 56.400 0.105 0.000 0.804 485 E CB -0.300 29.442 29.700 0.069 0.000 0.740 485 E HN 0.317 nan 8.360 nan 0.000 0.454 486 K N -0.687 119.732 120.400 0.031 0.000 2.097 486 K HA -0.101 4.220 4.320 0.001 0.000 0.206 486 K C 2.052 178.611 176.600 -0.069 0.000 1.049 486 K CA 1.276 57.512 56.287 -0.084 0.000 0.933 486 K CB -0.058 32.282 32.500 -0.268 0.000 0.717 486 K HN 0.035 nan 8.250 nan 0.000 0.442 487 V N 0.283 120.228 119.914 0.051 0.000 2.358 487 V HA -0.242 3.879 4.120 0.001 0.000 0.246 487 V C 1.956 178.067 176.094 0.030 0.000 1.047 487 V CA 1.523 63.874 62.300 0.084 0.000 1.035 487 V CB -0.503 31.437 31.823 0.195 0.000 0.658 487 V HN 0.277 nan 8.190 nan 0.000 0.452 488 Y N 1.433 121.696 120.300 -0.062 0.000 2.224 488 Y HA -0.205 4.346 4.550 0.001 0.000 0.289 488 Y C 2.459 178.265 175.900 -0.156 0.000 1.146 488 Y CA 1.817 59.859 58.100 -0.097 0.000 1.182 488 Y CB -0.253 38.184 38.460 -0.037 0.000 0.983 488 Y HN 0.402 nan 8.280 nan 0.000 0.524 489 E N -0.508 119.599 120.200 -0.156 0.000 2.118 489 E HA -0.230 4.121 4.350 0.001 0.000 0.195 489 E C 2.018 178.418 176.600 -0.333 0.000 0.992 489 E CA 1.276 57.523 56.400 -0.255 0.000 0.804 489 E CB -0.377 29.235 29.700 -0.146 0.000 0.741 489 E HN 0.379 nan 8.360 nan 0.000 0.458 490 L N 0.523 121.563 121.223 -0.305 0.000 2.093 490 L HA -0.122 4.218 4.340 0.001 0.000 0.208 490 L C 2.089 178.682 176.870 -0.463 0.000 1.085 490 L CA 1.621 56.255 54.840 -0.343 0.000 0.755 490 L CB -0.254 41.603 42.059 -0.337 0.000 0.904 490 L HN 0.149 nan 8.230 nan 0.000 0.435 491 M N -1.249 118.000 119.600 -0.585 0.000 2.086 491 M HA -0.185 4.296 4.480 0.001 0.000 0.261 491 M C 2.234 177.765 176.300 -1.282 0.000 1.067 491 M CA 1.401 56.068 55.300 -1.054 0.000 1.116 491 M CB -0.323 31.605 32.600 -1.120 0.000 1.348 491 M HN 0.148 nan 8.290 nan 0.000 0.407 492 R N 0.118 120.078 120.500 -0.901 0.000 2.120 492 R HA -0.037 4.304 4.340 0.001 0.000 0.234 492 R C 2.168 178.249 176.300 -0.366 0.000 1.123 492 R CA 1.580 57.344 56.100 -0.560 0.000 0.975 492 R CB -1.193 28.808 30.300 -0.499 0.000 0.866 492 R HN 0.422 nan 8.270 nan 0.000 0.446 493 A N 0.314 122.912 122.820 -0.370 0.000 1.930 493 A HA -0.141 4.180 4.320 0.001 0.000 0.217 493 A C 2.524 179.964 177.584 -0.240 0.000 1.175 493 A CA 1.382 53.272 52.037 -0.245 0.000 0.627 493 A CB -0.760 18.099 19.000 -0.234 0.000 0.815 493 A HN 0.383 nan 8.150 nan 0.000 0.443 494 C N -2.192 116.874 119.300 -0.390 0.000 2.432 494 C HA -0.080 4.381 4.460 0.001 0.000 0.280 494 C C 1.414 176.255 174.990 -0.249 0.000 1.353 494 C CA -0.118 58.700 59.018 -0.333 0.000 1.766 494 C CB -1.384 26.086 27.740 -0.450 0.000 1.924 494 C HN 0.803 nan 8.230 nan 0.000 0.509 495 W N 0.901 121.935 121.300 -0.444 0.000 3.269 495 W HA 0.309 4.969 4.660 0.001 0.000 0.413 495 W C 0.501 176.934 176.519 -0.144 0.000 1.057 495 W CA -0.591 56.276 57.345 -0.797 0.000 1.953 495 W CB -1.173 27.652 29.460 -1.058 0.000 1.053 495 W HN 0.367 nan 8.180 nan 0.000 0.753 496 Q N 0.231 120.158 119.800 0.211 0.000 2.361 496 Q HA -0.109 4.231 4.340 0.001 0.000 0.276 496 Q C 1.462 177.735 176.000 0.455 0.000 1.022 496 Q CA 0.139 56.103 55.803 0.267 0.000 0.898 496 Q CB 0.988 29.811 28.738 0.142 0.000 1.246 496 Q HN 0.365 nan 8.270 nan 0.000 0.410 497 W N 3.805 125.252 121.300 0.245 0.000 2.335 497 W HA -0.174 4.487 4.660 0.001 0.000 0.311 497 W C 0.443 177.033 176.519 0.119 0.000 1.213 497 W CA 1.027 58.489 57.345 0.195 0.000 1.274 497 W CB 0.207 29.722 29.460 0.092 0.000 1.148 497 W HN 0.570 nan 8.180 nan 0.000 0.498 498 N N 1.159 119.985 118.700 0.209 0.000 2.442 498 N HA 0.053 4.793 4.740 0.001 0.000 0.265 498 N C -1.920 173.604 175.510 0.024 0.000 1.138 498 N CA -1.432 51.658 53.050 0.067 0.000 0.956 498 N CB 1.318 39.881 38.487 0.126 0.000 1.067 498 N HN -0.167 nan 8.380 nan 0.000 0.474 499 P HA -0.159 nan 4.420 nan 0.000 0.216 499 P C 1.329 178.630 177.300 0.001 0.000 1.150 499 P CA 1.241 64.332 63.100 -0.016 0.000 0.843 499 P CB 0.184 31.851 31.700 -0.056 0.000 0.787 500 S N -1.033 114.665 115.700 -0.004 0.000 2.442 500 S HA -0.157 4.314 4.470 0.001 0.000 0.236 500 S C 1.509 176.109 174.600 0.000 0.000 1.007 500 S CA 1.406 59.603 58.200 -0.004 0.000 0.965 500 S CB -1.056 62.143 63.200 -0.003 0.000 0.773 500 S HN 0.018 nan 8.310 nan 0.000 0.504 501 D N 0.875 121.285 120.400 0.018 0.000 2.347 501 D HA 0.122 4.763 4.640 0.001 0.000 0.213 501 D C 0.662 176.960 176.300 -0.003 0.000 0.985 501 D CA 0.282 54.292 54.000 0.017 0.000 0.879 501 D CB -0.021 40.808 40.800 0.049 0.000 0.919 501 D HN 0.504 nan 8.370 nan 0.000 0.526 502 R N 1.654 122.152 120.500 -0.004 0.000 2.539 502 R HA 0.241 4.582 4.340 0.001 0.000 0.275 502 R C -2.114 174.129 176.300 -0.095 0.000 1.077 502 R CA -1.235 54.841 56.100 -0.041 0.000 1.097 502 R CB 0.206 30.498 30.300 -0.013 0.000 1.018 502 R HN 0.040 nan 8.270 nan 0.000 0.483 503 P HA -0.007 nan 4.420 nan 0.000 0.272 503 P C -0.559 176.608 177.300 -0.222 0.000 1.240 503 P CA -0.322 62.681 63.100 -0.163 0.000 0.791 503 P CB 0.871 32.461 31.700 -0.184 0.000 0.978 504 S N 0.118 115.714 115.700 -0.174 0.000 2.645 504 S HA 0.257 4.727 4.470 0.001 0.000 0.266 504 S C 1.062 175.525 174.600 -0.229 0.000 1.258 504 S CA -0.417 57.676 58.200 -0.178 0.000 0.990 504 S CB -0.062 63.105 63.200 -0.055 0.000 0.967 504 S HN 0.313 nan 8.310 nan 0.000 0.556 505 F N 0.409 120.321 119.950 -0.064 0.000 2.293 505 F HA 0.052 4.580 4.527 0.001 0.000 0.300 505 F C 2.711 178.483 175.800 -0.047 0.000 1.086 505 F CA 0.969 58.904 58.000 -0.107 0.000 1.375 505 F CB -0.571 38.353 39.000 -0.126 0.000 1.045 505 F HN 0.761 nan 8.300 nan 0.000 0.516 506 A N 0.201 123.103 122.820 0.137 0.000 1.877 506 A HA -0.207 4.113 4.320 0.001 0.000 0.216 506 A C 2.046 179.683 177.584 0.088 0.000 1.186 506 A CA 1.826 53.931 52.037 0.112 0.000 0.620 506 A CB -0.678 18.365 19.000 0.072 0.000 0.822 506 A HN 0.399 nan 8.150 nan 0.000 0.443 507 E N -0.441 119.768 120.200 0.015 0.000 2.106 507 E HA -0.101 4.249 4.350 0.001 0.000 0.192 507 E C 1.848 178.406 176.600 -0.070 0.000 0.984 507 E CA 1.018 57.398 56.400 -0.033 0.000 0.806 507 E CB -0.235 29.422 29.700 -0.073 0.000 0.750 507 E HN 0.695 nan 8.360 nan 0.000 0.458 508 I N 0.343 120.862 120.570 -0.085 0.000 2.202 508 I HA -0.269 3.902 4.170 0.001 0.000 0.242 508 I C 2.512 178.597 176.117 -0.052 0.000 1.091 508 I CA 1.307 62.507 61.300 -0.166 0.000 1.368 508 I CB -0.215 37.683 38.000 -0.169 0.000 1.058 508 I HN 0.159 nan 8.210 nan 0.000 0.410 509 H N 0.711 119.816 119.070 0.059 0.000 2.353 509 H HA -0.229 4.328 4.556 0.001 0.000 0.300 509 H C 2.250 177.668 175.328 0.150 0.000 1.090 509 H CA 2.007 58.172 56.048 0.195 0.000 1.327 509 H CB 0.009 29.862 29.762 0.151 0.000 1.383 509 H HN 0.287 nan 8.280 nan 0.000 0.508 510 Q N -0.406 119.429 119.800 0.058 0.000 2.119 510 Q HA -0.122 4.219 4.340 0.001 0.000 0.201 510 Q C 2.380 178.339 176.000 -0.067 0.000 0.972 510 Q CA 1.174 56.969 55.803 -0.012 0.000 0.847 510 Q CB -0.215 28.536 28.738 0.022 0.000 0.903 510 Q HN 0.600 nan 8.270 nan 0.000 0.433 511 A N 0.176 122.923 122.820 -0.121 0.000 1.908 511 A HA -0.191 4.129 4.320 0.001 0.000 0.218 511 A C 1.704 179.190 177.584 -0.164 0.000 1.181 511 A CA 1.342 53.260 52.037 -0.199 0.000 0.627 511 A CB -0.886 17.917 19.000 -0.328 0.000 0.818 511 A HN 0.452 nan 8.150 nan 0.000 0.445 512 F N 0.367 120.266 119.950 -0.084 0.000 2.102 512 F HA -0.117 4.410 4.527 0.001 0.000 0.298 512 F C 2.468 178.230 175.800 -0.063 0.000 1.105 512 F CA 1.561 59.527 58.000 -0.055 0.000 1.239 512 F CB -0.718 38.271 39.000 -0.019 0.000 0.991 512 F HN 0.332 nan 8.300 nan 0.000 0.474 513 E N -0.826 119.415 120.200 0.067 0.000 2.160 513 E HA -0.192 4.158 4.350 0.001 0.000 0.195 513 E C 1.796 178.418 176.600 0.037 0.000 0.991 513 E CA 1.822 58.231 56.400 0.014 0.000 0.810 513 E CB -0.386 29.274 29.700 -0.067 0.000 0.742 513 E HN 0.459 nan 8.360 nan 0.000 0.466 514 T N -2.477 112.079 114.554 0.004 0.000 3.044 514 T HA 0.187 4.538 4.350 0.001 0.000 0.260 514 T C 1.535 176.200 174.700 -0.057 0.000 1.019 514 T CA -0.273 61.820 62.100 -0.011 0.000 0.921 514 T CB 0.165 69.016 68.868 -0.027 0.000 1.053 514 T HN -0.010 nan 8.240 nan 0.000 0.533 515 M N 0.777 120.313 119.600 -0.107 0.000 2.106 515 M HA 0.101 4.582 4.480 0.001 0.000 0.259 515 M C -0.251 175.748 176.300 -0.501 0.000 1.068 515 M CA 1.717 56.806 55.300 -0.351 0.000 1.100 515 M CB -0.146 32.161 32.600 -0.488 0.000 1.351 515 M HN 0.327 nan 8.290 nan 0.000 0.404 516 F N -0.015 119.953 119.950 0.030 0.000 2.701 516 F HA 0.270 4.798 4.527 0.001 0.000 0.315 516 F C 1.220 177.027 175.800 0.012 0.000 1.277 516 F CA -0.467 57.545 58.000 0.020 0.000 1.180 516 F CB 0.101 39.115 39.000 0.024 0.000 1.273 516 F HN 0.129 nan 8.300 nan 0.000 0.532 517 Q N -0.066 119.794 119.800 0.100 0.000 2.269 517 Q HA -0.079 4.262 4.340 0.001 0.000 0.201 517 Q C 1.076 177.115 176.000 0.065 0.000 0.946 517 Q CA 1.039 56.885 55.803 0.071 0.000 0.877 517 Q CB 0.242 28.998 28.738 0.030 0.000 0.963 517 Q HN 0.474 nan 8.270 nan 0.000 0.472 518 E N 0.010 120.250 120.200 0.066 0.000 2.415 518 E HA 0.030 4.381 4.350 0.001 0.000 0.197 518 E C 0.016 176.658 176.600 0.070 0.000 1.007 518 E CA 0.184 56.616 56.400 0.053 0.000 0.890 518 E CB 0.821 30.543 29.700 0.035 0.000 0.891 518 E HN 0.158 nan 8.360 nan 0.000 0.496 519 S N -1.046 114.725 115.700 0.118 0.000 2.537 519 S HA 0.506 4.977 4.470 0.001 0.000 0.271 519 S C -0.277 174.415 174.600 0.153 0.000 1.148 519 S CA -0.906 57.361 58.200 0.111 0.000 0.868 519 S CB 1.311 64.574 63.200 0.105 0.000 1.115 519 S HN 0.035 nan 8.310 nan 0.000 0.461 520 S N 1.423 117.144 115.700 0.036 0.000 2.617 520 S HA 0.441 4.912 4.470 0.001 0.000 0.269 520 S C 1.131 175.536 174.600 -0.325 0.000 1.292 520 S CA -0.678 57.466 58.200 -0.093 0.000 1.010 520 S CB 0.417 63.559 63.200 -0.097 0.000 0.944 520 S HN 0.947 nan 8.310 nan 0.000 0.536 521 I N 1.534 121.626 120.570 -0.796 0.000 2.264 521 I HA -0.189 3.981 4.170 0.001 0.000 0.248 521 I C 2.197 178.061 176.117 -0.421 0.000 1.111 521 I CA 1.498 62.154 61.300 -1.073 0.000 1.382 521 I CB -0.428 36.857 38.000 -1.192 0.000 1.060 521 I HN 0.814 nan 8.210 nan 0.000 0.418 522 S N 0.663 116.196 115.700 -0.278 0.000 2.370 522 S HA -0.218 4.253 4.470 0.001 0.000 0.226 522 S C 1.591 176.126 174.600 -0.108 0.000 1.033 522 S CA 1.674 59.781 58.200 -0.155 0.000 1.011 522 S CB -0.388 62.744 63.200 -0.114 0.000 0.852 522 S HN 0.555 nan 8.310 nan 0.000 0.457 523 D N 0.748 121.090 120.400 -0.097 0.000 2.144 523 D HA -0.074 4.567 4.640 0.001 0.000 0.199 523 D C 1.978 178.260 176.300 -0.029 0.000 0.984 523 D CA 0.828 54.800 54.000 -0.047 0.000 0.834 523 D CB -0.135 40.652 40.800 -0.023 0.000 0.955 523 D HN 0.334 nan 8.370 nan 0.000 0.465 524 E N 0.559 120.738 120.200 -0.036 0.000 2.107 524 E HA -0.069 4.282 4.350 0.001 0.000 0.191 524 E C 2.403 179.001 176.600 -0.003 0.000 0.982 524 E CA 0.223 56.636 56.400 0.021 0.000 0.809 524 E CB -0.217 29.554 29.700 0.119 0.000 0.756 524 E HN 0.148 nan 8.360 nan 0.000 0.459 525 V N 1.502 121.389 119.914 -0.046 0.000 2.913 525 V HA -0.183 3.937 4.120 0.001 0.000 0.260 525 V C 2.290 178.366 176.094 -0.029 0.000 1.098 525 V CA 1.601 63.878 62.300 -0.039 0.000 1.121 525 V CB -0.336 31.451 31.823 -0.059 0.000 0.714 525 V HN 0.264 nan 8.190 nan 0.000 0.487 526 E N 0.486 120.669 120.200 -0.029 0.000 2.075 526 E HA -0.176 4.174 4.350 0.001 0.000 0.190 526 E C 2.310 178.903 176.600 -0.013 0.000 0.969 526 E CA 0.727 57.114 56.400 -0.022 0.000 0.815 526 E CB -0.022 29.663 29.700 -0.024 0.000 0.776 526 E HN 0.525 nan 8.360 nan 0.000 0.457 527 K N 0.509 120.905 120.400 -0.007 0.000 2.044 527 K HA -0.216 4.104 4.320 0.001 0.000 0.210 527 K C 1.982 178.582 176.600 -0.000 0.000 1.049 527 K CA 1.672 57.960 56.287 0.001 0.000 0.927 527 K CB 0.041 32.548 32.500 0.012 0.000 0.713 527 K HN 0.028 nan 8.250 nan 0.000 0.443 528 E N 1.125 121.325 120.200 0.000 0.000 2.017 528 E HA -0.116 4.235 4.350 0.001 0.000 0.193 528 E C 1.364 177.956 176.600 -0.014 0.000 0.997 528 E CA 0.670 57.067 56.400 -0.006 0.000 0.804 528 E CB -0.498 29.198 29.700 -0.006 0.000 0.757 528 E HN 0.306 nan 8.360 nan 0.000 0.448 529 L N 0.000 121.213 121.223 -0.017 0.000 2.949 529 L HA 0.000 4.341 4.340 0.001 0.000 0.249 529 L CA 0.000 54.829 54.840 -0.019 0.000 0.813 529 L CB 0.000 42.047 42.059 -0.019 0.000 0.961 529 L HN 0.000 nan 8.230 nan 0.000 0.502