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 2qxm_1_A DATA FIRST_RESID 305 DATA SEQUENCE SLALSLTADQ MVSALLDAEP PILYSEYXXX RPFSEASMMG LLTNLADREL DATA SEQUENCE VHMINWAKRV PGFVDLTLHD QVHLLECAWL EILMIGLVWR SMEHPGKLLF DATA SEQUENCE APNLLLDRNX XXXXEGMVEI FDMLLATSSR FRMMNLQGEE FVCLKSIILL DATA SEQUENCE NSGVYTFXXX XLKSLEEKDH IHRVLDKITD TLIHLMAKAG LTLQQQHQRL DATA SEQUENCE AQLLLILSHI RHMSNKGMEH LYSMKCKNVV PLSDLLLEML DAHRL 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 305 S HA 0.000 nan 4.470 nan 0.000 0.327 305 S C 0.000 174.631 174.600 0.051 0.000 1.055 305 S CA 0.000 58.245 58.200 0.075 0.000 1.107 305 S CB 0.000 63.214 63.200 0.023 0.000 0.593 306 L N 1.427 122.672 121.223 0.036 0.000 2.141 306 L HA 0.657 4.890 4.340 -0.180 0.000 0.209 306 L C 2.856 179.733 176.870 0.012 0.000 1.094 306 L CA 2.585 57.435 54.840 0.017 0.000 0.763 306 L CB -2.028 40.036 42.059 0.008 0.000 0.908 306 L HN 1.208 nan 8.230 nan 0.000 0.437 307 A N -0.395 122.440 122.820 0.024 0.000 1.969 307 A HA 0.053 4.265 4.320 -0.180 0.000 0.218 307 A C 2.101 179.675 177.584 -0.016 0.000 1.169 307 A CA 1.432 53.467 52.037 -0.002 0.000 0.635 307 A CB -0.512 18.485 19.000 -0.004 0.000 0.810 307 A HN 0.720 nan 8.150 nan 0.000 0.445 308 L N -0.566 120.657 121.223 0.000 0.000 2.599 308 L HA 0.102 4.334 4.340 -0.180 0.000 0.230 308 L C 1.214 178.081 176.870 -0.005 0.000 1.141 308 L CA 0.530 55.366 54.840 -0.007 0.000 0.877 308 L CB -0.124 41.940 42.059 0.009 0.000 1.009 308 L HN 0.212 nan 8.230 nan 0.000 0.447 309 S N -0.599 115.098 115.700 -0.006 0.000 2.603 309 S HA 0.311 4.673 4.470 -0.180 0.000 0.232 309 S C 0.682 175.271 174.600 -0.019 0.000 1.016 309 S CA -0.409 57.786 58.200 -0.009 0.000 0.976 309 S CB 0.421 63.619 63.200 -0.004 0.000 0.921 309 S HN 0.152 nan 8.310 nan 0.000 0.516 310 L N 3.017 124.225 121.223 -0.026 0.000 2.439 310 L HA 0.234 4.466 4.340 -0.180 0.000 0.269 310 L C 1.213 178.052 176.870 -0.052 0.000 1.179 310 L CA -0.296 54.521 54.840 -0.038 0.000 0.828 310 L CB 0.557 42.590 42.059 -0.043 0.000 1.106 310 L HN 0.226 nan 8.230 nan 0.000 0.467 311 T N -0.815 113.700 114.554 -0.065 0.000 2.788 311 T HA 0.365 4.607 4.350 -0.180 0.000 0.280 311 T C 1.172 175.782 174.700 -0.149 0.000 0.984 311 T CA -0.189 61.854 62.100 -0.096 0.000 0.972 311 T CB 1.385 70.196 68.868 -0.095 0.000 1.039 311 T HN 0.636 nan 8.240 nan 0.000 0.530 312 A N 0.786 123.457 122.820 -0.249 0.000 1.873 312 A HA -0.144 4.069 4.320 -0.180 0.000 0.218 312 A C 2.096 179.472 177.584 -0.347 0.000 1.193 312 A CA 2.001 53.800 52.037 -0.396 0.000 0.629 312 A CB -1.151 17.306 19.000 -0.906 0.000 0.826 312 A HN 0.925 nan 8.150 nan 0.000 0.447 313 D N -1.009 119.188 120.400 -0.339 0.000 2.149 313 D HA -0.086 4.446 4.640 -0.180 0.000 0.201 313 D C 2.210 178.458 176.300 -0.085 0.000 0.972 313 D CA 1.181 55.089 54.000 -0.153 0.000 0.835 313 D CB -0.303 40.451 40.800 -0.078 0.000 0.966 313 D HN 0.626 nan 8.370 nan 0.000 0.476 314 Q N -0.164 119.585 119.800 -0.085 0.000 2.124 314 Q HA -0.140 4.092 4.340 -0.180 0.000 0.202 314 Q C 2.025 177.991 176.000 -0.057 0.000 0.977 314 Q CA 0.960 56.729 55.803 -0.057 0.000 0.850 314 Q CB -0.054 28.654 28.738 -0.050 0.000 0.901 314 Q HN 0.145 nan 8.270 nan 0.000 0.429 315 M N 0.087 119.642 119.600 -0.075 0.000 2.065 315 M HA -0.165 4.207 4.480 -0.180 0.000 0.259 315 M C 1.959 178.222 176.300 -0.061 0.000 1.071 315 M CA 1.604 56.862 55.300 -0.070 0.000 1.109 315 M CB -0.536 32.017 32.600 -0.078 0.000 1.313 315 M HN 0.024 nan 8.290 nan 0.000 0.408 316 V N 0.410 120.288 119.914 -0.059 0.000 2.282 316 V HA -0.317 3.695 4.120 -0.180 0.000 0.249 316 V C 2.493 178.572 176.094 -0.024 0.000 1.057 316 V CA 2.286 64.564 62.300 -0.038 0.000 1.032 316 V CB -1.407 30.405 31.823 -0.018 0.000 0.645 316 V HN 0.783 nan 8.190 nan 0.000 0.447 317 S N 0.782 116.469 115.700 -0.022 0.000 2.402 317 S HA -0.084 4.278 4.470 -0.180 0.000 0.229 317 S C 2.031 176.626 174.600 -0.008 0.000 1.021 317 S CA 1.147 59.342 58.200 -0.008 0.000 0.974 317 S CB -0.490 62.708 63.200 -0.004 0.000 0.800 317 S HN 0.596 nan 8.310 nan 0.000 0.484 318 A N 1.301 124.107 122.820 -0.023 0.000 2.066 318 A HA 0.293 4.505 4.320 -0.180 0.000 0.218 318 A C 2.174 179.741 177.584 -0.027 0.000 1.157 318 A CA 0.816 52.837 52.037 -0.027 0.000 0.670 318 A CB -0.520 18.455 19.000 -0.043 0.000 0.804 318 A HN 0.533 nan 8.150 nan 0.000 0.453 319 L N -1.187 120.020 121.223 -0.026 0.000 2.221 319 L HA 0.061 4.293 4.340 -0.180 0.000 0.202 319 L C 2.297 179.190 176.870 0.037 0.000 1.074 319 L CA 0.392 55.225 54.840 -0.012 0.000 0.795 319 L CB -0.366 41.669 42.059 -0.039 0.000 0.960 319 L HN 0.312 nan 8.230 nan 0.000 0.458 320 L N -0.096 121.139 121.223 0.020 0.000 2.127 320 L HA -0.241 3.991 4.340 -0.180 0.000 0.211 320 L C 1.868 178.774 176.870 0.062 0.000 1.089 320 L CA 1.010 55.876 54.840 0.042 0.000 0.757 320 L CB -0.520 41.559 42.059 0.034 0.000 0.899 320 L HN 0.279 nan 8.230 nan 0.000 0.434 321 D N -0.076 120.352 120.400 0.047 0.000 2.224 321 D HA -0.059 4.473 4.640 -0.180 0.000 0.205 321 D C 2.086 178.431 176.300 0.074 0.000 0.965 321 D CA 1.200 55.230 54.000 0.051 0.000 0.852 321 D CB 0.129 40.946 40.800 0.029 0.000 0.947 321 D HN 0.281 nan 8.370 nan 0.000 0.494 322 A N 0.394 123.268 122.820 0.091 0.000 2.178 322 A HA -0.013 4.199 4.320 -0.180 0.000 0.211 322 A C 0.856 178.610 177.584 0.283 0.000 1.157 322 A CA 0.046 52.173 52.037 0.150 0.000 0.780 322 A CB 0.011 19.051 19.000 0.066 0.000 0.828 322 A HN -0.092 nan 8.150 nan 0.000 0.476 323 E N 2.092 122.425 120.200 0.222 0.000 2.694 323 E HA 0.050 4.292 4.350 -0.180 0.000 0.250 323 E C -2.060 174.626 176.600 0.142 0.000 0.963 323 E CA -1.007 55.498 56.400 0.175 0.000 0.949 323 E CB 0.213 29.988 29.700 0.124 0.000 0.911 323 E HN 0.376 nan 8.360 nan 0.000 0.500 324 P HA 0.155 nan 4.420 nan 0.000 0.270 324 P C -2.409 174.904 177.300 0.022 0.000 1.223 324 P CA -1.036 62.105 63.100 0.068 0.000 0.785 324 P CB -0.441 31.256 31.700 -0.004 0.000 0.923 325 P HA 0.266 nan 4.420 nan 0.000 0.274 325 P C -0.124 177.131 177.300 -0.076 0.000 1.231 325 P CA -0.103 62.971 63.100 -0.045 0.000 0.790 325 P CB 0.374 32.024 31.700 -0.082 0.000 0.951 326 I N 2.655 123.208 120.570 -0.028 0.000 2.329 326 I HA 0.087 4.149 4.170 -0.180 0.000 0.295 326 I C 0.771 176.856 176.117 -0.053 0.000 1.109 326 I CA -0.215 61.051 61.300 -0.056 0.000 1.297 326 I CB -0.389 37.568 38.000 -0.071 0.000 1.433 326 I HN 0.117 nan 8.210 nan 0.000 0.509 327 L N 6.072 127.257 121.223 -0.064 0.000 2.472 327 L HA 0.235 4.467 4.340 -0.180 0.000 0.260 327 L C -0.339 176.545 176.870 0.023 0.000 1.209 327 L CA -0.258 54.593 54.840 0.019 0.000 0.817 327 L CB 0.271 42.326 42.059 -0.006 0.000 1.106 327 L HN 0.376 nan 8.230 nan 0.000 0.479 328 Y N -0.192 120.124 120.300 0.027 0.000 2.419 328 Y HA 0.224 4.667 4.550 -0.178 0.000 0.328 328 Y C 0.745 176.682 175.900 0.063 0.000 1.162 328 Y CA 0.016 58.146 58.100 0.050 0.000 1.174 328 Y CB 1.965 40.463 38.460 0.062 0.000 1.228 328 Y HN 0.577 nan 8.280 nan 0.000 0.473 329 S N 0.554 116.372 115.700 0.196 0.000 2.632 329 S HA 0.260 4.622 4.470 -0.180 0.000 0.267 329 S C -0.513 174.194 174.600 0.178 0.000 1.193 329 S CA -0.646 57.637 58.200 0.139 0.000 1.003 329 S CB 0.444 63.692 63.200 0.079 0.000 1.073 329 S HN 0.596 nan 8.310 nan 0.000 0.553 330 E N 1.011 121.270 120.200 0.098 0.000 2.289 330 E HA 0.311 4.554 4.350 -0.180 0.000 0.278 330 E C -0.556 176.038 176.600 -0.010 0.000 1.032 330 E CA -0.075 56.355 56.400 0.049 0.000 0.854 330 E CB 0.260 29.938 29.700 -0.037 0.000 1.046 330 E HN 0.497 nan 8.360 nan 0.000 0.409 336 P HA 0.664 nan 4.420 nan 0.000 0.274 336 P C -0.990 176.178 177.300 -0.219 0.000 1.256 336 P CA -0.560 62.366 63.100 -0.290 0.000 0.795 336 P CB -0.055 31.555 31.700 -0.151 0.000 1.038 337 F N -0.042 119.884 119.950 -0.039 0.000 2.427 337 F HA 0.251 4.674 4.527 -0.173 0.000 0.352 337 F C 1.334 177.109 175.800 -0.042 0.000 1.100 337 F CA -0.594 57.379 58.000 -0.046 0.000 1.191 337 F CB 0.128 39.095 39.000 -0.055 0.000 1.128 337 F HN 0.180 nan 8.300 nan 0.000 0.533 338 S N 1.430 117.211 115.700 0.135 0.000 2.669 338 S HA 0.198 4.560 4.470 -0.180 0.000 0.270 338 S C 1.194 175.821 174.600 0.046 0.000 1.225 338 S CA -0.645 57.593 58.200 0.063 0.000 0.991 338 S CB 1.281 64.501 63.200 0.032 0.000 0.987 338 S HN 0.784 nan 8.310 nan 0.000 0.552 339 E N 1.118 121.328 120.200 0.016 0.000 2.049 339 E HA -0.237 4.005 4.350 -0.180 0.000 0.198 339 E C 2.123 178.713 176.600 -0.017 0.000 1.007 339 E CA 1.426 57.822 56.400 -0.005 0.000 0.809 339 E CB -0.621 29.076 29.700 -0.005 0.000 0.749 339 E HN 0.827 nan 8.360 nan 0.000 0.450 340 A N 0.772 123.586 122.820 -0.009 0.000 1.940 340 A HA -0.219 3.993 4.320 -0.180 0.000 0.219 340 A C 2.351 179.924 177.584 -0.018 0.000 1.176 340 A CA 2.278 54.306 52.037 -0.015 0.000 0.631 340 A CB -0.784 18.209 19.000 -0.011 0.000 0.814 340 A HN 0.493 nan 8.150 nan 0.000 0.446 341 S N -1.156 114.543 115.700 -0.001 0.000 2.371 341 S HA -0.168 4.194 4.470 -0.180 0.000 0.224 341 S C 1.965 176.537 174.600 -0.048 0.000 1.029 341 S CA 1.740 59.946 58.200 0.010 0.000 0.978 341 S CB -0.447 62.800 63.200 0.078 0.000 0.833 341 S HN 0.406 nan 8.310 nan 0.000 0.466 342 M N 1.797 121.332 119.600 -0.109 0.000 2.059 342 M HA 0.142 4.514 4.480 -0.180 0.000 0.259 342 M C 2.188 178.351 176.300 -0.229 0.000 1.072 342 M CA 1.777 56.897 55.300 -0.301 0.000 1.117 342 M CB -1.007 31.397 32.600 -0.327 0.000 1.320 342 M HN 0.242 nan 8.290 nan 0.000 0.408 343 M N -0.262 119.256 119.600 -0.137 0.000 2.202 343 M HA -0.092 4.280 4.480 -0.180 0.000 0.262 343 M C 2.126 178.384 176.300 -0.070 0.000 1.063 343 M CA 1.602 56.848 55.300 -0.089 0.000 1.097 343 M CB -1.818 30.762 32.600 -0.033 0.000 1.382 343 M HN 0.545 nan 8.290 nan 0.000 0.413 344 G N 0.512 109.274 108.800 -0.063 0.000 2.491 344 G HA2 -0.229 3.623 3.960 -0.180 0.000 0.218 344 G HA3 -0.229 3.623 3.960 -0.180 0.000 0.218 344 G C 1.570 176.441 174.900 -0.048 0.000 1.180 344 G CA 0.697 45.772 45.100 -0.042 0.000 0.774 344 G HN 0.426 nan 8.290 nan 0.000 0.562 345 L N -0.020 121.154 121.223 -0.083 0.000 2.083 345 L HA -0.025 4.207 4.340 -0.180 0.000 0.209 345 L C 2.936 179.755 176.870 -0.085 0.000 1.083 345 L CA 0.519 55.309 54.840 -0.084 0.000 0.752 345 L CB -0.358 41.622 42.059 -0.132 0.000 0.899 345 L HN 0.203 nan 8.230 nan 0.000 0.433 346 L N -0.692 120.451 121.223 -0.133 0.000 2.027 346 L HA -0.159 4.073 4.340 -0.180 0.000 0.206 346 L C 2.841 179.716 176.870 0.008 0.000 1.074 346 L CA 1.933 56.710 54.840 -0.105 0.000 0.745 346 L CB -1.090 40.867 42.059 -0.171 0.000 0.898 346 L HN 0.443 nan 8.230 nan 0.000 0.433 347 T N -3.444 111.117 114.554 0.012 0.000 2.857 347 T HA -0.162 4.080 4.350 -0.180 0.000 0.266 347 T C 1.749 176.471 174.700 0.038 0.000 1.048 347 T CA 1.097 63.225 62.100 0.047 0.000 1.139 347 T CB -0.485 68.405 68.868 0.037 0.000 0.874 347 T HN 0.267 nan 8.240 nan 0.000 0.455 348 N N 1.204 119.917 118.700 0.020 0.000 2.043 348 N HA -0.118 4.514 4.740 -0.180 0.000 0.193 348 N C 1.989 177.527 175.510 0.047 0.000 1.037 348 N CA 1.564 54.631 53.050 0.028 0.000 0.851 348 N CB -0.376 38.123 38.487 0.020 0.000 1.027 348 N HN 0.342 nan 8.380 nan 0.000 0.422 349 L N 1.551 122.802 121.223 0.048 0.000 1.989 349 L HA -0.104 4.128 4.340 -0.180 0.000 0.211 349 L C 2.485 179.408 176.870 0.089 0.000 1.071 349 L CA 2.240 57.121 54.840 0.069 0.000 0.749 349 L CB -1.141 40.959 42.059 0.068 0.000 0.890 349 L HN 0.230 nan 8.230 nan 0.000 0.431 350 A N -0.592 122.290 122.820 0.104 0.000 1.883 350 A HA -0.334 3.878 4.320 -0.180 0.000 0.217 350 A C 2.068 179.713 177.584 0.102 0.000 1.186 350 A CA 2.109 54.230 52.037 0.140 0.000 0.624 350 A CB -1.268 17.851 19.000 0.200 0.000 0.822 350 A HN 0.675 nan 8.150 nan 0.000 0.444 351 D N -0.858 119.579 120.400 0.062 0.000 2.106 351 D HA -0.216 4.316 4.640 -0.180 0.000 0.191 351 D C 2.102 178.434 176.300 0.053 0.000 0.997 351 D CA 1.870 55.884 54.000 0.023 0.000 0.834 351 D CB -0.200 40.607 40.800 0.012 0.000 0.956 351 D HN 0.448 nan 8.370 nan 0.000 0.448 352 R N -0.160 120.391 120.500 0.084 0.000 2.081 352 R HA -0.063 4.169 4.340 -0.180 0.000 0.235 352 R C 2.459 178.876 176.300 0.196 0.000 1.131 352 R CA 1.368 57.547 56.100 0.132 0.000 0.960 352 R CB -0.193 30.189 30.300 0.136 0.000 0.856 352 R HN 0.411 nan 8.270 nan 0.000 0.436 353 E N 0.512 120.798 120.200 0.144 0.000 2.204 353 E HA -0.170 4.072 4.350 -0.180 0.000 0.195 353 E C 1.970 178.660 176.600 0.150 0.000 0.990 353 E CA 0.681 57.165 56.400 0.139 0.000 0.821 353 E CB 0.016 29.773 29.700 0.095 0.000 0.750 353 E HN 0.329 nan 8.360 nan 0.000 0.477 354 L N 0.258 121.548 121.223 0.112 0.000 2.005 354 L HA -0.196 4.037 4.340 -0.180 0.000 0.207 354 L C 2.450 179.364 176.870 0.074 0.000 1.072 354 L CA 0.868 55.751 54.840 0.071 0.000 0.744 354 L CB -0.409 41.629 42.059 -0.034 0.000 0.895 354 L HN 0.065 nan 8.230 nan 0.000 0.433 355 V N -0.597 119.352 119.914 0.057 0.000 2.278 355 V HA -0.389 3.623 4.120 -0.180 0.000 0.251 355 V C 2.457 178.554 176.094 0.005 0.000 1.062 355 V CA 1.949 64.254 62.300 0.008 0.000 1.038 355 V CB -0.942 30.861 31.823 -0.033 0.000 0.646 355 V HN 0.491 nan 8.190 nan 0.000 0.447 356 H N -1.232 117.874 119.070 0.060 0.000 2.389 356 H HA -0.086 4.361 4.556 -0.182 0.000 0.299 356 H C 2.286 177.681 175.328 0.110 0.000 1.081 356 H CA 1.960 58.054 56.048 0.077 0.000 1.345 356 H CB -0.055 29.745 29.762 0.063 0.000 1.393 356 H HN 0.388 nan 8.280 nan 0.000 0.520 357 M N 0.723 120.450 119.600 0.211 0.000 2.159 357 M HA -0.131 4.241 4.480 -0.180 0.000 0.263 357 M C 2.037 178.513 176.300 0.293 0.000 1.063 357 M CA 1.314 56.731 55.300 0.196 0.000 1.110 357 M CB -0.134 32.531 32.600 0.107 0.000 1.374 357 M HN 0.122 nan 8.290 nan 0.000 0.411 358 I N 0.683 121.362 120.570 0.182 0.000 2.208 358 I HA -0.364 3.698 4.170 -0.180 0.000 0.245 358 I C 2.032 178.226 176.117 0.129 0.000 1.097 358 I CA 1.335 62.721 61.300 0.143 0.000 1.363 358 I CB -0.742 37.312 38.000 0.092 0.000 1.051 358 I HN 0.438 nan 8.210 nan 0.000 0.413 359 N N -0.144 118.634 118.700 0.129 0.000 2.244 359 N HA -0.218 4.414 4.740 -0.180 0.000 0.183 359 N C 1.704 177.296 175.510 0.136 0.000 1.016 359 N CA 1.441 54.555 53.050 0.106 0.000 0.866 359 N CB -0.191 38.343 38.487 0.078 0.000 0.980 359 N HN 0.545 nan 8.380 nan 0.000 0.430 360 W N 2.214 123.506 121.300 -0.014 0.000 2.436 360 W HA 0.040 4.593 4.660 -0.178 0.000 0.284 360 W C 2.212 178.656 176.519 -0.124 0.000 1.225 360 W CA 1.215 58.533 57.345 -0.044 0.000 1.271 360 W CB -0.089 29.352 29.460 -0.032 0.000 1.114 360 W HN -0.048 nan 8.180 nan 0.000 0.559 361 A N 1.081 123.729 122.820 -0.287 0.000 1.930 361 A HA -0.153 4.059 4.320 -0.180 0.000 0.217 361 A C 1.942 179.127 177.584 -0.666 0.000 1.175 361 A CA 1.703 53.171 52.037 -0.949 0.000 0.627 361 A CB -0.652 17.872 19.000 -0.794 0.000 0.815 361 A HN 0.379 nan 8.150 nan 0.000 0.443 362 K N -0.642 119.650 120.400 -0.180 0.000 2.362 362 K HA -0.024 4.188 4.320 -0.180 0.000 0.200 362 K C 1.301 177.866 176.600 -0.058 0.000 1.046 362 K CA 0.730 57.044 56.287 0.046 0.000 0.952 362 K CB -0.021 32.527 32.500 0.081 0.000 0.753 362 K HN 0.315 nan 8.250 nan 0.000 0.466 363 R N 0.654 121.036 120.500 -0.197 0.000 2.427 363 R HA 0.130 4.362 4.340 -0.180 0.000 0.262 363 R C -0.258 175.852 176.300 -0.318 0.000 0.943 363 R CA 0.016 56.003 56.100 -0.189 0.000 1.081 363 R CB 0.606 30.830 30.300 -0.128 0.000 1.166 363 R HN -0.093 nan 8.270 nan 0.000 0.534 364 V N 4.579 124.196 119.914 -0.496 0.000 2.405 364 V HA 0.137 4.149 4.120 -0.180 0.000 0.264 364 V C -2.056 173.918 176.094 -0.200 0.000 1.048 364 V CA -1.806 60.194 62.300 -0.499 0.000 0.966 364 V CB 0.979 32.305 31.823 -0.827 0.000 1.015 364 V HN 0.001 nan 8.190 nan 0.000 0.477 365 P HA 0.137 nan 4.420 nan 0.000 0.263 365 P C 1.051 178.344 177.300 -0.011 0.000 1.175 365 P CA 1.500 64.565 63.100 -0.058 0.000 0.761 365 P CB 0.476 32.138 31.700 -0.063 0.000 0.794 366 G N 2.096 110.924 108.800 0.047 0.000 2.284 366 G HA2 -0.370 3.482 3.960 -0.180 0.000 0.230 366 G HA3 -0.370 3.482 3.960 -0.180 0.000 0.230 366 G C 0.858 175.853 174.900 0.158 0.000 1.021 366 G CA 0.184 45.354 45.100 0.117 0.000 0.619 366 G HN 0.491 nan 8.290 nan 0.000 0.510 367 F N 2.272 122.196 119.950 -0.045 0.000 2.206 367 F HA 0.097 4.515 4.527 -0.181 0.000 0.298 367 F C 2.642 178.426 175.800 -0.026 0.000 1.090 367 F CA 2.433 60.403 58.000 -0.050 0.000 1.323 367 F CB 0.010 38.930 39.000 -0.134 0.000 1.028 367 F HN 0.294 nan 8.300 nan 0.000 0.492 368 V N -2.462 117.476 119.914 0.040 0.000 3.217 368 V HA -0.105 3.907 4.120 -0.180 0.000 0.264 368 V C 1.437 177.479 176.094 -0.087 0.000 1.135 368 V CA 1.325 63.602 62.300 -0.038 0.000 1.142 368 V CB -0.916 30.916 31.823 0.015 0.000 0.754 368 V HN 0.120 nan 8.190 nan 0.000 0.484 369 D N 1.025 121.384 120.400 -0.070 0.000 2.310 369 D HA 0.096 4.628 4.640 -0.180 0.000 0.212 369 D C 0.821 177.008 176.300 -0.188 0.000 0.965 369 D CA 0.742 54.669 54.000 -0.122 0.000 0.879 369 D CB -0.081 40.652 40.800 -0.111 0.000 0.921 369 D HN 0.441 nan 8.370 nan 0.000 0.510 370 L N 0.172 121.274 121.223 -0.202 0.000 2.416 370 L HA 0.261 4.493 4.340 -0.180 0.000 0.262 370 L C 1.239 177.989 176.870 -0.199 0.000 1.093 370 L CA -0.786 53.924 54.840 -0.217 0.000 0.801 370 L CB 0.879 42.775 42.059 -0.270 0.000 1.191 370 L HN -0.116 nan 8.230 nan 0.000 0.459 371 T N -1.901 112.558 114.554 -0.159 0.000 2.788 371 T HA 0.132 4.374 4.350 -0.180 0.000 0.287 371 T C 0.899 175.547 174.700 -0.087 0.000 1.007 371 T CA -0.585 61.451 62.100 -0.107 0.000 1.005 371 T CB 0.786 69.606 68.868 -0.080 0.000 1.012 371 T HN 0.346 nan 8.240 nan 0.000 0.530 372 L N 0.671 121.871 121.223 -0.037 0.000 2.156 372 L HA 0.004 4.236 4.340 -0.180 0.000 0.208 372 L C 2.563 179.452 176.870 0.032 0.000 1.095 372 L CA 1.598 56.429 54.840 -0.014 0.000 0.770 372 L CB -1.704 40.358 42.059 0.005 0.000 0.914 372 L HN 0.935 nan 8.230 nan 0.000 0.439 373 H N -0.571 118.488 119.070 -0.018 0.000 2.387 373 H HA -0.153 4.297 4.556 -0.177 0.000 0.299 373 H C 1.137 176.523 175.328 0.097 0.000 1.099 373 H CA 1.876 57.938 56.048 0.024 0.000 1.315 373 H CB 0.425 30.179 29.762 -0.013 0.000 1.380 373 H HN 0.328 nan 8.280 nan 0.000 0.513 374 D N 0.007 120.476 120.400 0.116 0.000 2.271 374 D HA -0.049 4.483 4.640 -0.180 0.000 0.206 374 D C 2.365 178.743 176.300 0.130 0.000 0.967 374 D CA 0.429 54.551 54.000 0.203 0.000 0.867 374 D CB -0.015 40.806 40.800 0.034 0.000 0.960 374 D HN 0.535 nan 8.370 nan 0.000 0.509 375 Q N 0.291 120.050 119.800 -0.067 0.000 2.083 375 Q HA -0.054 4.178 4.340 -0.180 0.000 0.198 375 Q C 2.320 178.429 176.000 0.182 0.000 0.969 375 Q CA 0.718 56.468 55.803 -0.088 0.000 0.838 375 Q CB 0.058 28.638 28.738 -0.264 0.000 0.900 375 Q HN 0.079 nan 8.270 nan 0.000 0.436 376 V N 0.728 120.696 119.914 0.090 0.000 2.231 376 V HA -0.330 3.682 4.120 -0.180 0.000 0.248 376 V C 2.258 178.403 176.094 0.086 0.000 1.054 376 V CA 2.445 64.788 62.300 0.071 0.000 1.015 376 V CB -0.684 31.134 31.823 -0.007 0.000 0.638 376 V HN 0.460 nan 8.190 nan 0.000 0.444 377 H N -0.224 118.816 119.070 -0.049 0.000 2.352 377 H HA -0.128 4.321 4.556 -0.179 0.000 0.299 377 H C 2.016 177.360 175.328 0.027 0.000 1.097 377 H CA 2.038 58.063 56.048 -0.038 0.000 1.311 377 H CB -0.345 29.403 29.762 -0.023 0.000 1.377 377 H HN 0.337 nan 8.280 nan 0.000 0.504 378 L N -0.390 120.800 121.223 -0.056 0.000 2.046 378 L HA -0.167 4.065 4.340 -0.180 0.000 0.208 378 L C 2.597 179.501 176.870 0.056 0.000 1.077 378 L CA 1.150 55.958 54.840 -0.054 0.000 0.747 378 L CB -0.414 41.779 42.059 0.224 0.000 0.896 378 L HN 0.316 nan 8.230 nan 0.000 0.432 379 L N -0.628 120.702 121.223 0.178 0.000 2.093 379 L HA -0.179 4.053 4.340 -0.180 0.000 0.208 379 L C 2.429 179.445 176.870 0.243 0.000 1.085 379 L CA 1.098 56.064 54.840 0.209 0.000 0.755 379 L CB -0.376 41.814 42.059 0.218 0.000 0.904 379 L HN 0.291 nan 8.230 nan 0.000 0.435 380 E N -0.938 119.361 120.200 0.166 0.000 2.204 380 E HA -0.204 4.038 4.350 -0.180 0.000 0.195 380 E C 2.220 178.971 176.600 0.251 0.000 0.990 380 E CA 1.197 57.730 56.400 0.222 0.000 0.821 380 E CB -0.016 29.748 29.700 0.106 0.000 0.750 380 E HN 0.525 nan 8.360 nan 0.000 0.477 381 C N -0.353 118.975 119.300 0.047 0.000 2.507 381 C HA 0.186 4.538 4.460 -0.180 0.000 0.280 381 C C 2.570 177.615 174.990 0.091 0.000 1.345 381 C CA 0.581 59.596 59.018 -0.005 0.000 1.736 381 C CB -0.222 27.385 27.740 -0.222 0.000 2.060 381 C HN 0.471 nan 8.230 nan 0.000 0.498 382 A N 0.940 123.815 122.820 0.091 0.000 2.147 382 A HA 0.014 4.226 4.320 -0.180 0.000 0.211 382 A C 1.977 179.598 177.584 0.062 0.000 1.160 382 A CA 0.539 52.611 52.037 0.058 0.000 0.781 382 A CB -0.692 18.351 19.000 0.072 0.000 0.842 382 A HN 0.848 nan 8.150 nan 0.000 0.475 383 W N -0.333 121.006 121.300 0.065 0.000 2.338 383 W HA -0.205 4.403 4.660 -0.087 0.000 0.304 383 W C 1.210 177.742 176.519 0.022 0.000 1.212 383 W CA 1.414 58.787 57.345 0.048 0.000 1.264 383 W CB -1.062 28.437 29.460 0.066 0.000 1.142 383 W HN 0.304 nan 8.180 nan 0.000 0.512 384 L N 1.769 122.494 121.223 -0.830 0.000 2.240 384 L HA 0.022 4.254 4.340 -0.180 0.000 0.211 384 L C 2.514 179.161 176.870 -0.372 0.000 1.106 384 L CA 1.743 56.073 54.840 -0.851 0.000 0.793 384 L CB -0.884 40.389 42.059 -1.309 0.000 0.927 384 L HN -0.029 nan 8.230 nan 0.000 0.446 385 E N -0.168 119.866 120.200 -0.276 0.000 2.038 385 E HA -0.262 3.980 4.350 -0.180 0.000 0.195 385 E C 2.202 178.753 176.600 -0.082 0.000 1.000 385 E CA 1.932 58.245 56.400 -0.144 0.000 0.803 385 E CB -0.245 29.401 29.700 -0.089 0.000 0.750 385 E HN 0.532 nan 8.360 nan 0.000 0.448 386 I N 1.189 121.719 120.570 -0.066 0.000 2.091 386 I HA -0.347 3.715 4.170 -0.180 0.000 0.239 386 I C 2.467 178.549 176.117 -0.059 0.000 1.061 386 I CA 1.210 62.462 61.300 -0.080 0.000 1.317 386 I CB -0.335 37.604 38.000 -0.102 0.000 1.031 386 I HN 0.137 nan 8.210 nan 0.000 0.401 387 L N -0.429 120.780 121.223 -0.024 0.000 2.013 387 L HA -0.307 3.925 4.340 -0.180 0.000 0.212 387 L C 2.686 179.543 176.870 -0.022 0.000 1.073 387 L CA 1.791 56.634 54.840 0.004 0.000 0.753 387 L CB -0.554 41.544 42.059 0.066 0.000 0.890 387 L HN 0.342 nan 8.230 nan 0.000 0.432 388 M N -0.904 118.663 119.600 -0.056 0.000 2.132 388 M HA -0.228 4.144 4.480 -0.180 0.000 0.263 388 M C 2.331 178.623 176.300 -0.014 0.000 1.065 388 M CA 1.700 56.956 55.300 -0.074 0.000 1.122 388 M CB -0.287 32.243 32.600 -0.117 0.000 1.365 388 M HN 0.222 nan 8.290 nan 0.000 0.411 389 I N 0.255 120.863 120.570 0.063 0.000 2.756 389 I HA -0.141 3.921 4.170 -0.180 0.000 0.262 389 I C 2.070 178.364 176.117 0.294 0.000 1.225 389 I CA 0.906 62.344 61.300 0.231 0.000 1.472 389 I CB -0.203 37.964 38.000 0.278 0.000 1.094 389 I HN 0.261 nan 8.210 nan 0.000 0.454 390 G N 0.848 109.754 108.800 0.177 0.000 2.404 390 G HA2 -0.247 3.605 3.960 -0.180 0.000 0.214 390 G HA3 -0.247 3.605 3.960 -0.180 0.000 0.214 390 G C 1.486 176.405 174.900 0.031 0.000 1.189 390 G CA 0.607 45.798 45.100 0.152 0.000 0.789 390 G HN 0.355 nan 8.290 nan 0.000 0.533 391 L N 1.087 122.274 121.223 -0.060 0.000 2.012 391 L HA -0.066 4.166 4.340 -0.180 0.000 0.210 391 L C 2.935 179.688 176.870 -0.195 0.000 1.073 391 L CA 1.655 56.368 54.840 -0.210 0.000 0.748 391 L CB -0.650 41.198 42.059 -0.352 0.000 0.891 391 L HN 0.089 nan 8.230 nan 0.000 0.431 392 V N -0.470 119.385 119.914 -0.098 0.000 2.252 392 V HA -0.359 3.653 4.120 -0.180 0.000 0.249 392 V C 2.238 178.383 176.094 0.085 0.000 1.056 392 V CA 2.423 64.710 62.300 -0.022 0.000 1.022 392 V CB -1.353 30.505 31.823 0.059 0.000 0.641 392 V HN 0.810 nan 8.190 nan 0.000 0.445 393 W N 1.585 122.828 121.300 -0.094 0.000 2.338 393 W HA -0.187 4.362 4.660 -0.185 0.000 0.304 393 W C 2.513 178.857 176.519 -0.292 0.000 1.212 393 W CA 1.809 58.957 57.345 -0.329 0.000 1.264 393 W CB -0.288 28.538 29.460 -1.055 0.000 1.142 393 W HN 0.202 nan 8.180 nan 0.000 0.512 394 R N 0.206 120.469 120.500 -0.395 0.000 2.148 394 R HA -0.072 4.160 4.340 -0.180 0.000 0.227 394 R C 2.306 178.439 176.300 -0.277 0.000 1.103 394 R CA 1.591 57.446 56.100 -0.408 0.000 0.983 394 R CB -0.460 29.700 30.300 -0.233 0.000 0.874 394 R HN 0.054 nan 8.270 nan 0.000 0.451 395 S N 0.973 116.536 115.700 -0.229 0.000 2.478 395 S HA -0.019 4.343 4.470 -0.180 0.000 0.222 395 S C 1.670 176.221 174.600 -0.081 0.000 1.008 395 S CA 0.210 58.324 58.200 -0.142 0.000 0.928 395 S CB 0.050 63.118 63.200 -0.220 0.000 0.781 395 S HN 0.271 nan 8.310 nan 0.000 0.518 396 M N 2.406 121.905 119.600 -0.167 0.000 2.405 396 M HA -0.293 4.079 4.480 -0.180 0.000 0.256 396 M C 1.673 177.879 176.300 -0.157 0.000 1.067 396 M CA 2.172 57.382 55.300 -0.149 0.000 1.073 396 M CB -0.420 32.031 32.600 -0.249 0.000 1.273 396 M HN 0.381 nan 8.290 nan 0.000 0.443 397 E N -1.289 118.758 120.200 -0.254 0.000 2.365 397 E HA -0.059 4.184 4.350 -0.180 0.000 0.188 397 E C -0.469 175.825 176.600 -0.510 0.000 1.102 397 E CA 0.107 56.298 56.400 -0.348 0.000 0.927 397 E CB -0.397 29.054 29.700 -0.415 0.000 1.073 397 E HN 0.656 nan 8.360 nan 0.000 0.467 398 H N 1.009 120.002 119.070 -0.128 0.000 2.386 398 H HA 0.250 4.698 4.556 -0.180 0.000 0.232 398 H C -2.495 172.789 175.328 -0.073 0.000 1.416 398 H CA -2.137 53.855 56.048 -0.094 0.000 1.285 398 H CB 0.538 30.239 29.762 -0.101 0.000 1.625 398 H HN 0.152 nan 8.280 nan 0.000 0.521 399 P HA -0.053 nan 4.420 nan 0.000 0.256 399 P C 1.109 178.418 177.300 0.016 0.000 1.173 399 P CA 1.469 64.564 63.100 -0.009 0.000 0.768 399 P CB 0.296 31.982 31.700 -0.024 0.000 0.758 400 G N 2.074 110.882 108.800 0.013 0.000 2.141 400 G HA2 -0.214 3.638 3.960 -0.180 0.000 0.231 400 G HA3 -0.214 3.638 3.960 -0.180 0.000 0.231 400 G C -0.150 174.787 174.900 0.063 0.000 0.984 400 G CA -0.299 44.822 45.100 0.036 0.000 0.660 400 G HN 0.537 nan 8.290 nan 0.000 0.525 401 K N -0.609 119.814 120.400 0.037 0.000 2.469 401 K HA 0.710 4.922 4.320 -0.180 0.000 0.254 401 K C -0.602 175.943 176.600 -0.092 0.000 0.939 401 K CA -0.944 55.365 56.287 0.036 0.000 0.812 401 K CB 2.220 34.749 32.500 0.048 0.000 1.301 401 K HN 0.061 nan 8.250 nan 0.000 0.433 402 L N 3.023 124.156 121.223 -0.150 0.000 2.276 402 L HA 0.355 4.587 4.340 -0.180 0.000 0.286 402 L C -0.397 176.271 176.870 -0.336 0.000 1.024 402 L CA -0.784 53.802 54.840 -0.423 0.000 0.826 402 L CB 0.955 42.483 42.059 -0.884 0.000 1.211 402 L HN 0.424 nan 8.230 nan 0.000 0.422 403 L N 3.667 124.665 121.223 -0.376 0.000 2.384 403 L HA 0.141 4.373 4.340 -0.180 0.000 0.258 403 L C 0.715 177.423 176.870 -0.270 0.000 1.266 403 L CA 0.342 54.993 54.840 -0.315 0.000 1.162 403 L CB -0.285 41.536 42.059 -0.396 0.000 1.375 403 L HN 0.463 nan 8.230 nan 0.000 0.420 404 F N 2.124 121.986 119.950 -0.146 0.000 2.134 404 F HA -0.002 4.408 4.527 -0.195 0.000 0.299 404 F C 1.516 177.243 175.800 -0.123 0.000 1.097 404 F CA 1.155 59.088 58.000 -0.112 0.000 1.264 404 F CB -0.180 38.776 39.000 -0.075 0.000 1.001 404 F HN 0.511 nan 8.300 nan 0.000 0.479 405 A N -1.709 121.136 122.820 0.042 0.000 2.583 405 A HA 0.524 4.736 4.320 -0.180 0.000 0.289 405 A C -2.038 175.423 177.584 -0.205 0.000 1.151 405 A CA -1.123 50.838 52.037 -0.127 0.000 0.695 405 A CB 0.304 19.236 19.000 -0.112 0.000 1.290 405 A HN -0.159 nan 8.150 nan 0.000 0.419 406 P HA -0.147 nan 4.420 nan 0.000 0.217 406 P C 0.656 177.888 177.300 -0.113 0.000 1.148 406 P CA 1.968 64.882 63.100 -0.309 0.000 0.828 406 P CB 0.020 31.401 31.700 -0.532 0.000 0.783 407 N N -1.706 116.964 118.700 -0.050 0.000 2.336 407 N HA 0.063 4.695 4.740 -0.180 0.000 0.189 407 N C 0.001 175.563 175.510 0.087 0.000 1.113 407 N CA 0.195 53.305 53.050 0.100 0.000 0.858 407 N CB -0.329 38.299 38.487 0.234 0.000 0.970 407 N HN 0.073 nan 8.380 nan 0.000 0.471 408 L N 0.878 122.131 121.223 0.049 0.000 2.462 408 L HA 0.488 4.721 4.340 -0.180 0.000 0.255 408 L C -1.664 175.276 176.870 0.117 0.000 1.076 408 L CA -0.802 54.087 54.840 0.082 0.000 0.920 408 L CB 1.136 43.228 42.059 0.055 0.000 1.214 408 L HN 0.114 nan 8.230 nan 0.000 0.472 409 L N 4.831 126.113 121.223 0.099 0.000 2.377 409 L HA 0.654 4.886 4.340 -0.180 0.000 0.270 409 L C -1.571 175.383 176.870 0.140 0.000 0.991 409 L CA -0.115 54.763 54.840 0.063 0.000 0.851 409 L CB 1.129 43.156 42.059 -0.055 0.000 1.218 409 L HN 0.347 nan 8.230 nan 0.000 0.420 410 L N 3.169 124.544 121.223 0.253 0.000 2.333 410 L HA 0.705 4.938 4.340 -0.180 0.000 0.269 410 L C -0.819 176.276 176.870 0.375 0.000 1.010 410 L CA -0.974 54.058 54.840 0.320 0.000 0.818 410 L CB 1.987 44.304 42.059 0.431 0.000 1.306 410 L HN 0.552 nan 8.230 nan 0.000 0.430 411 D N -0.760 119.806 120.400 0.276 0.000 2.467 411 D HA 0.547 5.079 4.640 -0.180 0.000 0.245 411 D C 0.032 176.420 176.300 0.148 0.000 1.038 411 D CA -0.721 53.441 54.000 0.270 0.000 1.038 411 D CB 0.861 41.745 40.800 0.139 0.000 1.278 411 D HN 0.478 nan 8.370 nan 0.000 0.564 412 R N -0.892 119.690 120.500 0.136 0.000 3.235 412 R HA 0.611 4.843 4.340 -0.180 0.000 0.232 412 R C 0.103 176.378 176.300 -0.043 0.000 1.475 412 R CA 0.008 56.075 56.100 -0.056 0.000 1.405 412 R CB -1.637 28.720 30.300 0.095 0.000 1.266 412 R HN 0.732 nan 8.270 nan 0.000 0.650 420 G N 0.939 109.794 108.800 0.092 0.000 2.217 420 G HA2 -0.274 3.578 3.960 -0.180 0.000 0.246 420 G HA3 -0.274 3.578 3.960 -0.180 0.000 0.246 420 G C 1.395 176.240 174.900 -0.091 0.000 0.990 420 G CA 0.910 46.055 45.100 0.075 0.000 0.627 420 G HN 1.266 nan 8.290 nan 0.000 0.522 421 M N 0.645 120.127 119.600 -0.197 0.000 2.595 421 M HA 0.347 4.719 4.480 -0.180 0.000 0.248 421 M C 2.275 178.534 176.300 -0.068 0.000 1.119 421 M CA 1.210 56.322 55.300 -0.313 0.000 1.079 421 M CB 0.083 32.499 32.600 -0.306 0.000 1.472 421 M HN 0.265 nan 8.290 nan 0.000 0.501 422 V N 0.894 120.773 119.914 -0.059 0.000 2.343 422 V HA -0.282 3.730 4.120 -0.180 0.000 0.247 422 V C 1.576 177.712 176.094 0.070 0.000 1.051 422 V CA 2.372 64.665 62.300 -0.012 0.000 1.036 422 V CB -0.252 31.542 31.823 -0.048 0.000 0.654 422 V HN 0.573 nan 8.190 nan 0.000 0.451 423 E N 0.049 120.270 120.200 0.036 0.000 2.077 423 E HA -0.216 4.026 4.350 -0.180 0.000 0.193 423 E C 2.068 178.708 176.600 0.067 0.000 0.989 423 E CA 1.909 58.339 56.400 0.051 0.000 0.800 423 E CB -0.284 29.438 29.700 0.036 0.000 0.746 423 E HN 0.641 nan 8.360 nan 0.000 0.452 424 I N 0.200 120.794 120.570 0.039 0.000 2.179 424 I HA -0.252 3.810 4.170 -0.180 0.000 0.242 424 I C 2.095 178.257 176.117 0.076 0.000 1.088 424 I CA 0.960 62.275 61.300 0.025 0.000 1.357 424 I CB -0.174 37.799 38.000 -0.045 0.000 1.051 424 I HN 0.048 nan 8.210 nan 0.000 0.409 425 F N 1.699 121.630 119.950 -0.032 0.000 2.095 425 F HA -0.306 4.108 4.527 -0.189 0.000 0.298 425 F C 2.226 178.022 175.800 -0.008 0.000 1.104 425 F CA 1.952 59.949 58.000 -0.005 0.000 1.232 425 F CB -0.289 38.718 39.000 0.011 0.000 0.987 425 F HN 0.111 nan 8.300 nan 0.000 0.475 426 D N -0.397 120.123 120.400 0.200 0.000 2.149 426 D HA -0.205 4.327 4.640 -0.180 0.000 0.198 426 D C 2.347 178.683 176.300 0.059 0.000 0.990 426 D CA 1.437 55.504 54.000 0.111 0.000 0.839 426 D CB -0.292 40.562 40.800 0.090 0.000 0.948 426 D HN 0.309 nan 8.370 nan 0.000 0.460 427 M N -0.368 119.277 119.600 0.076 0.000 2.099 427 M HA -0.082 4.290 4.480 -0.180 0.000 0.262 427 M C 2.258 178.614 176.300 0.093 0.000 1.067 427 M CA 0.930 56.315 55.300 0.142 0.000 1.124 427 M CB -0.206 32.497 32.600 0.171 0.000 1.353 427 M HN -0.015 nan 8.290 nan 0.000 0.410 428 L N 0.092 121.283 121.223 -0.053 0.000 2.046 428 L HA -0.211 4.021 4.340 -0.180 0.000 0.208 428 L C 2.360 179.131 176.870 -0.165 0.000 1.077 428 L CA 1.161 55.907 54.840 -0.156 0.000 0.747 428 L CB -0.643 41.246 42.059 -0.284 0.000 0.896 428 L HN 0.283 nan 8.230 nan 0.000 0.432 429 L N -0.633 120.497 121.223 -0.154 0.000 2.046 429 L HA -0.220 4.012 4.340 -0.180 0.000 0.208 429 L C 2.827 179.645 176.870 -0.086 0.000 1.077 429 L CA 1.235 56.004 54.840 -0.120 0.000 0.747 429 L CB -0.663 41.360 42.059 -0.060 0.000 0.896 429 L HN 0.262 nan 8.230 nan 0.000 0.432 430 A N -0.513 122.272 122.820 -0.058 0.000 1.902 430 A HA -0.193 4.019 4.320 -0.180 0.000 0.217 430 A C 2.346 179.852 177.584 -0.131 0.000 1.181 430 A CA 2.216 54.204 52.037 -0.081 0.000 0.623 430 A CB -0.933 18.016 19.000 -0.086 0.000 0.818 430 A HN 0.417 nan 8.150 nan 0.000 0.443 431 T N 0.974 115.458 114.554 -0.117 0.000 2.720 431 T HA -0.176 4.066 4.350 -0.180 0.000 0.268 431 T C 2.244 176.689 174.700 -0.425 0.000 1.037 431 T CA 2.005 63.943 62.100 -0.270 0.000 1.144 431 T CB -0.541 68.193 68.868 -0.222 0.000 0.864 431 T HN 0.753 nan 8.240 nan 0.000 0.444 432 S N 1.521 117.081 115.700 -0.234 0.000 2.406 432 S HA -0.036 4.326 4.470 -0.180 0.000 0.228 432 S C 2.319 176.880 174.600 -0.065 0.000 1.020 432 S CA 0.895 59.025 58.200 -0.117 0.000 0.965 432 S CB -0.541 62.601 63.200 -0.097 0.000 0.798 432 S HN 0.352 nan 8.310 nan 0.000 0.488 433 S N 1.916 117.565 115.700 -0.085 0.000 2.368 433 S HA -0.050 4.312 4.470 -0.180 0.000 0.225 433 S C 1.960 176.538 174.600 -0.037 0.000 1.030 433 S CA 1.417 59.585 58.200 -0.053 0.000 0.999 433 S CB -0.351 62.816 63.200 -0.056 0.000 0.844 433 S HN 0.568 nan 8.310 nan 0.000 0.459 434 R N 1.103 121.552 120.500 -0.086 0.000 2.088 434 R HA -0.055 4.177 4.340 -0.180 0.000 0.232 434 R C 1.770 178.131 176.300 0.102 0.000 1.136 434 R CA 1.703 57.772 56.100 -0.051 0.000 0.926 434 R CB -0.988 29.221 30.300 -0.153 0.000 0.837 434 R HN 0.275 nan 8.270 nan 0.000 0.429 435 F N 1.099 121.066 119.950 0.029 0.000 2.087 435 F HA -0.211 4.208 4.527 -0.180 0.000 0.299 435 F C 2.491 178.308 175.800 0.028 0.000 1.100 435 F CA 1.825 59.858 58.000 0.055 0.000 1.226 435 F CB -1.064 37.986 39.000 0.083 0.000 0.983 435 F HN 0.174 nan 8.300 nan 0.000 0.479 436 R N 0.057 120.670 120.500 0.188 0.000 2.080 436 R HA -0.248 3.984 4.340 -0.180 0.000 0.236 436 R C 2.265 178.600 176.300 0.058 0.000 1.137 436 R CA 2.044 58.187 56.100 0.071 0.000 0.943 436 R CB -0.546 29.762 30.300 0.013 0.000 0.846 436 R HN 0.262 nan 8.270 nan 0.000 0.431 437 M N -0.174 119.458 119.600 0.052 0.000 2.446 437 M HA -0.088 4.284 4.480 -0.180 0.000 0.263 437 M C 1.574 177.906 176.300 0.054 0.000 1.066 437 M CA 1.577 56.899 55.300 0.036 0.000 1.087 437 M CB 0.212 32.824 32.600 0.020 0.000 1.406 437 M HN 0.243 nan 8.290 nan 0.000 0.459 438 M N -1.051 118.605 119.600 0.093 0.000 2.465 438 M HA 0.116 4.488 4.480 -0.180 0.000 0.249 438 M C 0.440 176.791 176.300 0.085 0.000 1.130 438 M CA 0.080 55.439 55.300 0.098 0.000 1.067 438 M CB 0.107 32.798 32.600 0.151 0.000 1.394 438 M HN 0.393 nan 8.290 nan 0.000 0.483 439 N N 2.048 120.798 118.700 0.084 0.000 2.681 439 N HA -0.173 4.459 4.740 -0.180 0.000 0.259 439 N C -0.891 174.671 175.510 0.086 0.000 1.066 439 N CA 0.081 53.171 53.050 0.066 0.000 0.717 439 N CB -1.107 37.404 38.487 0.040 0.000 0.885 439 N HN 0.279 nan 8.380 nan 0.000 0.547 440 L N 0.743 122.034 121.223 0.114 0.000 2.490 440 L HA 0.192 4.424 4.340 -0.180 0.000 0.274 440 L C 0.450 177.431 176.870 0.185 0.000 1.201 440 L CA 0.632 55.525 54.840 0.089 0.000 0.869 440 L CB 0.558 42.578 42.059 -0.064 0.000 1.123 440 L HN 0.288 nan 8.230 nan 0.000 0.484 441 Q N 3.300 123.164 119.800 0.108 0.000 2.221 441 Q HA 0.315 4.547 4.340 -0.180 0.000 0.242 441 Q C 0.973 176.995 176.000 0.037 0.000 0.940 441 Q CA 0.317 56.198 55.803 0.130 0.000 0.896 441 Q CB 1.231 30.008 28.738 0.066 0.000 1.226 441 Q HN 0.891 nan 8.270 nan 0.000 0.463 442 G N 1.353 110.206 108.800 0.089 0.000 2.421 442 G HA2 -0.290 3.562 3.960 -0.180 0.000 0.216 442 G HA3 -0.290 3.562 3.960 -0.180 0.000 0.216 442 G C 0.962 175.777 174.900 -0.142 0.000 1.171 442 G CA 0.811 45.831 45.100 -0.135 0.000 0.775 442 G HN 0.576 nan 8.290 nan 0.000 0.543 443 E N 0.672 120.844 120.200 -0.047 0.000 2.130 443 E HA -0.099 4.143 4.350 -0.180 0.000 0.196 443 E C 2.383 178.929 176.600 -0.090 0.000 0.998 443 E CA 1.331 57.701 56.400 -0.051 0.000 0.806 443 E CB -0.145 29.554 29.700 -0.001 0.000 0.738 443 E HN 0.623 nan 8.360 nan 0.000 0.459 444 E N -0.537 119.611 120.200 -0.087 0.000 2.072 444 E HA -0.146 4.096 4.350 -0.180 0.000 0.191 444 E C 1.803 178.301 176.600 -0.170 0.000 0.985 444 E CA 0.794 57.137 56.400 -0.096 0.000 0.801 444 E CB -0.191 29.473 29.700 -0.061 0.000 0.750 444 E HN 0.286 nan 8.360 nan 0.000 0.452 445 F N 1.583 121.268 119.950 -0.441 0.000 2.186 445 F HA -0.174 4.241 4.527 -0.185 0.000 0.299 445 F C 2.078 177.631 175.800 -0.411 0.000 1.090 445 F CA 1.312 58.952 58.000 -0.600 0.000 1.307 445 F CB -0.330 37.919 39.000 -1.251 0.000 1.019 445 F HN -0.096 nan 8.300 nan 0.000 0.489 446 V N -1.933 117.541 119.914 -0.732 0.000 2.591 446 V HA -0.153 3.860 4.120 -0.180 0.000 0.249 446 V C 2.338 178.228 176.094 -0.340 0.000 1.053 446 V CA 1.505 63.421 62.300 -0.639 0.000 1.068 446 V CB -1.667 29.970 31.823 -0.311 0.000 0.689 446 V HN 0.478 nan 8.190 nan 0.000 0.462 447 C N 0.359 119.512 119.300 -0.244 0.000 2.432 447 C HA 0.009 4.362 4.460 -0.180 0.000 0.277 447 C C 2.760 177.672 174.990 -0.130 0.000 1.249 447 C CA 1.255 60.189 59.018 -0.140 0.000 1.725 447 C CB -1.176 26.509 27.740 -0.091 0.000 2.028 447 C HN 0.599 nan 8.230 nan 0.000 0.477 448 L N 0.592 121.716 121.223 -0.164 0.000 2.127 448 L HA -0.190 4.042 4.340 -0.180 0.000 0.211 448 L C 2.589 179.392 176.870 -0.112 0.000 1.089 448 L CA 1.586 56.365 54.840 -0.100 0.000 0.757 448 L CB -0.647 41.367 42.059 -0.075 0.000 0.899 448 L HN 0.441 nan 8.230 nan 0.000 0.434 449 K N -0.471 119.780 120.400 -0.249 0.000 2.103 449 K HA -0.084 4.128 4.320 -0.180 0.000 0.204 449 K C 2.224 178.860 176.600 0.060 0.000 1.052 449 K CA 1.115 57.281 56.287 -0.203 0.000 0.945 449 K CB 0.176 32.356 32.500 -0.533 0.000 0.722 449 K HN 0.075 nan 8.250 nan 0.000 0.443 450 S N 0.849 116.582 115.700 0.055 0.000 2.371 450 S HA -0.043 4.320 4.470 -0.180 0.000 0.224 450 S C 1.789 176.396 174.600 0.012 0.000 1.029 450 S CA 0.942 59.170 58.200 0.047 0.000 0.978 450 S CB -0.169 63.002 63.200 -0.049 0.000 0.833 450 S HN 0.240 nan 8.310 nan 0.000 0.466 451 I N 1.537 122.105 120.570 -0.004 0.000 2.118 451 I HA -0.249 3.813 4.170 -0.180 0.000 0.241 451 I C 2.065 178.192 176.117 0.018 0.000 1.070 451 I CA 1.353 62.656 61.300 0.005 0.000 1.327 451 I CB -0.423 37.583 38.000 0.010 0.000 1.034 451 I HN 0.257 nan 8.210 nan 0.000 0.405 452 I N 0.032 120.618 120.570 0.027 0.000 2.113 452 I HA -0.359 3.703 4.170 -0.180 0.000 0.242 452 I C 2.549 178.687 176.117 0.036 0.000 1.064 452 I CA 1.471 62.790 61.300 0.031 0.000 1.320 452 I CB -0.414 37.603 38.000 0.028 0.000 1.028 452 I HN 0.272 nan 8.210 nan 0.000 0.406 453 L N 0.773 122.041 121.223 0.076 0.000 1.990 453 L HA -0.226 4.007 4.340 -0.180 0.000 0.213 453 L C 2.286 179.186 176.870 0.050 0.000 1.072 453 L CA 2.003 56.890 54.840 0.080 0.000 0.755 453 L CB -0.521 41.585 42.059 0.078 0.000 0.889 453 L HN 0.142 nan 8.230 nan 0.000 0.432 454 L N -0.753 120.490 121.223 0.034 0.000 2.156 454 L HA -0.115 4.117 4.340 -0.180 0.000 0.208 454 L C 2.278 179.108 176.870 -0.068 0.000 1.095 454 L CA 1.271 56.126 54.840 0.025 0.000 0.770 454 L CB -0.690 41.378 42.059 0.015 0.000 0.914 454 L HN 0.423 nan 8.230 nan 0.000 0.439 455 N N -0.173 118.486 118.700 -0.068 0.000 2.148 455 N HA -0.138 4.494 4.740 -0.180 0.000 0.186 455 N C 1.936 177.329 175.510 -0.195 0.000 1.031 455 N CA 1.438 54.409 53.050 -0.131 0.000 0.848 455 N CB 0.020 38.489 38.487 -0.032 0.000 1.005 455 N HN -0.005 nan 8.380 nan 0.000 0.427 456 S N -1.313 114.329 115.700 -0.096 0.000 2.392 456 S HA -0.103 4.259 4.470 -0.180 0.000 0.232 456 S C 1.539 176.059 174.600 -0.133 0.000 1.041 456 S CA 1.452 59.615 58.200 -0.061 0.000 1.026 456 S CB -0.585 62.597 63.200 -0.029 0.000 0.845 456 S HN 0.644 nan 8.310 nan 0.000 0.465 457 G N -0.600 108.025 108.800 -0.292 0.000 3.228 457 G HA2 0.228 4.080 3.960 -0.180 0.000 0.245 457 G HA3 0.228 4.080 3.960 -0.180 0.000 0.245 457 G C 0.947 175.447 174.900 -0.667 0.000 1.051 457 G CA -0.035 44.782 45.100 -0.471 0.000 0.809 457 G HN 0.345 nan 8.290 nan 0.000 0.531 458 V N 0.168 119.701 119.914 -0.634 0.000 2.548 458 V HA -0.080 3.932 4.120 -0.180 0.000 0.249 458 V C 2.258 178.171 176.094 -0.302 0.000 1.055 458 V CA 1.453 63.368 62.300 -0.642 0.000 1.065 458 V CB -0.463 31.093 31.823 -0.444 0.000 0.681 458 V HN 0.446 nan 8.190 nan 0.000 0.462 459 Y N 1.250 121.526 120.300 -0.040 0.000 2.224 459 Y HA -0.120 4.319 4.550 -0.185 0.000 0.289 459 Y C 2.553 178.491 175.900 0.063 0.000 1.146 459 Y CA 1.553 59.685 58.100 0.054 0.000 1.182 459 Y CB -1.308 37.181 38.460 0.048 0.000 0.983 459 Y HN 0.483 nan 8.280 nan 0.000 0.524 460 T N -2.061 112.597 114.554 0.174 0.000 3.366 460 T HA 0.144 4.386 4.350 -0.180 0.000 0.249 460 T C 0.102 174.902 174.700 0.166 0.000 1.028 460 T CA -0.199 62.001 62.100 0.166 0.000 0.938 460 T CB -1.184 67.792 68.868 0.180 0.000 1.046 460 T HN -0.185 nan 8.240 nan 0.000 0.587 467 K N -0.587 119.775 120.400 -0.064 0.000 2.335 467 K HA 0.372 4.584 4.320 -0.180 0.000 0.195 467 K C 1.617 178.151 176.600 -0.109 0.000 1.058 467 K CA 1.108 57.344 56.287 -0.086 0.000 0.988 467 K CB 0.448 32.890 32.500 -0.096 0.000 0.880 467 K HN 0.156 nan 8.250 nan 0.000 0.513 468 S N 0.490 116.128 115.700 -0.104 0.000 2.460 468 S HA 0.165 4.527 4.470 -0.180 0.000 0.226 468 S C 1.786 176.335 174.600 -0.084 0.000 1.057 468 S CA 0.103 58.220 58.200 -0.137 0.000 0.948 468 S CB 0.052 63.177 63.200 -0.125 0.000 0.822 468 S HN 0.121 nan 8.310 nan 0.000 0.512 469 L N 1.843 123.047 121.223 -0.033 0.000 2.079 469 L HA -0.132 4.100 4.340 -0.180 0.000 0.210 469 L C 2.430 179.309 176.870 0.016 0.000 1.081 469 L CA 1.318 56.164 54.840 0.011 0.000 0.752 469 L CB -0.659 41.412 42.059 0.019 0.000 0.896 469 L HN 0.350 nan 8.230 nan 0.000 0.433 470 E N -0.086 120.109 120.200 -0.010 0.000 2.106 470 E HA -0.239 4.003 4.350 -0.180 0.000 0.192 470 E C 2.073 178.678 176.600 0.008 0.000 0.984 470 E CA 1.048 57.447 56.400 -0.001 0.000 0.806 470 E CB 0.071 29.755 29.700 -0.028 0.000 0.750 470 E HN 0.393 nan 8.360 nan 0.000 0.458 471 E N 1.223 121.397 120.200 -0.043 0.000 2.047 471 E HA -0.143 4.099 4.350 -0.180 0.000 0.191 471 E C 1.812 178.414 176.600 0.005 0.000 0.987 471 E CA 1.161 57.528 56.400 -0.055 0.000 0.799 471 E CB 0.137 29.727 29.700 -0.185 0.000 0.752 471 E HN 0.007 nan 8.360 nan 0.000 0.449 472 K N 0.403 120.792 120.400 -0.018 0.000 2.001 472 K HA -0.207 4.005 4.320 -0.180 0.000 0.214 472 K C 2.008 178.598 176.600 -0.016 0.000 1.050 472 K CA 1.709 57.990 56.287 -0.010 0.000 0.934 472 K CB -0.259 32.286 32.500 0.075 0.000 0.718 472 K HN 0.141 nan 8.250 nan 0.000 0.443 473 D N -0.260 120.195 120.400 0.092 0.000 2.149 473 D HA -0.231 4.301 4.640 -0.180 0.000 0.194 473 D C 1.824 178.192 176.300 0.114 0.000 1.001 473 D CA 1.199 55.280 54.000 0.135 0.000 0.849 473 D CB -0.135 40.728 40.800 0.104 0.000 0.939 473 D HN 0.359 nan 8.370 nan 0.000 0.449 474 H N 0.360 119.429 119.070 -0.001 0.000 2.293 474 H HA -0.071 4.377 4.556 -0.180 0.000 0.300 474 H C 2.514 177.835 175.328 -0.011 0.000 1.082 474 H CA 1.180 57.222 56.048 -0.010 0.000 1.308 474 H CB -0.117 29.623 29.762 -0.035 0.000 1.375 474 H HN 0.139 nan 8.280 nan 0.000 0.495 475 I N 0.476 120.996 120.570 -0.083 0.000 2.264 475 I HA -0.294 3.768 4.170 -0.180 0.000 0.248 475 I C 2.473 178.505 176.117 -0.140 0.000 1.111 475 I CA 1.058 62.271 61.300 -0.146 0.000 1.382 475 I CB -0.490 37.442 38.000 -0.113 0.000 1.060 475 I HN 0.353 nan 8.210 nan 0.000 0.418 476 H N 0.999 120.050 119.070 -0.032 0.000 2.423 476 H HA -0.018 4.429 4.556 -0.181 0.000 0.297 476 H C 2.377 177.675 175.328 -0.050 0.000 1.075 476 H CA 1.064 57.096 56.048 -0.027 0.000 1.342 476 H CB -0.130 29.636 29.762 0.007 0.000 1.395 476 H HN 0.322 nan 8.280 nan 0.000 0.530 477 R N 0.003 120.520 120.500 0.028 0.000 2.073 477 R HA -0.050 4.182 4.340 -0.180 0.000 0.229 477 R C 2.366 178.611 176.300 -0.092 0.000 1.120 477 R CA 0.997 57.075 56.100 -0.037 0.000 0.967 477 R CB -0.194 30.069 30.300 -0.061 0.000 0.862 477 R HN 0.091 nan 8.270 nan 0.000 0.436 478 V N 1.699 121.502 119.914 -0.186 0.000 2.407 478 V HA -0.222 3.790 4.120 -0.180 0.000 0.248 478 V C 2.304 178.356 176.094 -0.070 0.000 1.055 478 V CA 1.556 63.762 62.300 -0.158 0.000 1.049 478 V CB -0.439 31.262 31.823 -0.204 0.000 0.662 478 V HN 0.282 nan 8.190 nan 0.000 0.455 479 L N -0.345 120.859 121.223 -0.032 0.000 2.156 479 L HA -0.127 4.106 4.340 -0.180 0.000 0.208 479 L C 2.324 179.202 176.870 0.013 0.000 1.095 479 L CA 1.277 56.122 54.840 0.008 0.000 0.770 479 L CB -0.598 41.499 42.059 0.062 0.000 0.914 479 L HN 0.327 nan 8.230 nan 0.000 0.439 480 D N -0.070 120.338 120.400 0.014 0.000 2.117 480 D HA -0.145 4.387 4.640 -0.180 0.000 0.198 480 D C 2.173 178.473 176.300 0.001 0.000 0.982 480 D CA 0.829 54.836 54.000 0.011 0.000 0.828 480 D CB -0.039 40.768 40.800 0.012 0.000 0.967 480 D HN 0.101 nan 8.370 nan 0.000 0.464 481 K N 0.689 121.080 120.400 -0.015 0.000 2.000 481 K HA -0.155 4.058 4.320 -0.180 0.000 0.218 481 K C 2.332 178.920 176.600 -0.021 0.000 1.053 481 K CA 0.891 57.164 56.287 -0.023 0.000 0.946 481 K CB -0.689 31.786 32.500 -0.042 0.000 0.723 481 K HN 0.266 nan 8.250 nan 0.000 0.446 482 I N 1.046 121.600 120.570 -0.025 0.000 2.248 482 I HA -0.294 3.768 4.170 -0.180 0.000 0.248 482 I C 2.282 178.395 176.117 -0.005 0.000 1.107 482 I CA 1.479 62.764 61.300 -0.024 0.000 1.373 482 I CB -0.890 37.092 38.000 -0.030 0.000 1.055 482 I HN 0.203 nan 8.210 nan 0.000 0.418 483 T N 0.144 114.702 114.554 0.007 0.000 2.737 483 T HA -0.158 4.084 4.350 -0.180 0.000 0.265 483 T C 1.530 176.251 174.700 0.035 0.000 1.038 483 T CA 1.522 63.637 62.100 0.024 0.000 1.144 483 T CB -0.337 68.548 68.868 0.029 0.000 0.866 483 T HN 0.318 nan 8.240 nan 0.000 0.434 484 D N 1.057 121.474 120.400 0.029 0.000 2.133 484 D HA -0.095 4.438 4.640 -0.180 0.000 0.195 484 D C 2.279 178.611 176.300 0.053 0.000 0.997 484 D CA 1.345 55.368 54.000 0.040 0.000 0.840 484 D CB -0.609 40.204 40.800 0.022 0.000 0.947 484 D HN 0.332 nan 8.370 nan 0.000 0.452 485 T N 0.814 115.383 114.554 0.025 0.000 2.821 485 T HA -0.039 4.204 4.350 -0.180 0.000 0.267 485 T C 2.203 176.941 174.700 0.063 0.000 1.046 485 T CA 0.347 62.462 62.100 0.025 0.000 1.139 485 T CB -0.203 68.652 68.868 -0.022 0.000 0.871 485 T HN 0.120 nan 8.240 nan 0.000 0.454 486 L N 0.445 121.693 121.223 0.041 0.000 2.131 486 L HA -0.067 4.165 4.340 -0.180 0.000 0.210 486 L C 2.306 179.210 176.870 0.056 0.000 1.092 486 L CA 0.754 55.617 54.840 0.039 0.000 0.759 486 L CB -0.375 41.701 42.059 0.029 0.000 0.903 486 L HN 0.262 nan 8.230 nan 0.000 0.435 487 I N -1.014 119.598 120.570 0.069 0.000 2.233 487 I HA -0.271 3.791 4.170 -0.180 0.000 0.243 487 I C 2.421 178.573 176.117 0.057 0.000 1.093 487 I CA 1.383 62.719 61.300 0.060 0.000 1.380 487 I CB -1.325 36.718 38.000 0.071 0.000 1.067 487 I HN 0.321 nan 8.210 nan 0.000 0.413 488 H N 1.791 120.861 119.070 0.000 0.000 2.260 488 H HA -0.239 4.208 4.556 -0.180 0.000 0.288 488 H C 2.285 177.610 175.328 -0.006 0.000 1.094 488 H CA 2.418 58.464 56.048 -0.004 0.000 1.197 488 H CB -0.406 29.353 29.762 -0.004 0.000 1.346 488 H HN 0.180 nan 8.280 nan 0.000 0.486 489 L N -0.758 120.526 121.223 0.101 0.000 2.034 489 L HA -0.306 3.926 4.340 -0.180 0.000 0.217 489 L C 2.698 179.549 176.870 -0.032 0.000 1.077 489 L CA 2.118 56.979 54.840 0.035 0.000 0.769 489 L CB -0.490 41.601 42.059 0.053 0.000 0.890 489 L HN 0.479 nan 8.230 nan 0.000 0.435 490 M N -1.363 118.220 119.600 -0.028 0.000 2.334 490 M HA -0.009 4.363 4.480 -0.180 0.000 0.266 490 M C 2.502 178.762 176.300 -0.066 0.000 1.082 490 M CA 1.216 56.494 55.300 -0.035 0.000 1.141 490 M CB -0.403 32.185 32.600 -0.019 0.000 1.380 490 M HN 0.243 nan 8.290 nan 0.000 0.440 491 A N 1.005 123.770 122.820 -0.092 0.000 1.877 491 A HA -0.188 4.024 4.320 -0.180 0.000 0.216 491 A C 2.223 179.726 177.584 -0.134 0.000 1.186 491 A CA 1.845 53.815 52.037 -0.112 0.000 0.620 491 A CB -0.637 18.290 19.000 -0.122 0.000 0.822 491 A HN 0.408 nan 8.150 nan 0.000 0.443 492 K N -0.461 119.819 120.400 -0.200 0.000 2.063 492 K HA -0.111 4.101 4.320 -0.180 0.000 0.208 492 K C 1.942 178.488 176.600 -0.091 0.000 1.048 492 K CA 1.208 57.387 56.287 -0.180 0.000 0.928 492 K CB -0.289 32.068 32.500 -0.239 0.000 0.713 492 K HN 0.406 nan 8.250 nan 0.000 0.442 493 A N -0.116 122.664 122.820 -0.067 0.000 2.248 493 A HA 0.078 4.290 4.320 -0.180 0.000 0.210 493 A C 1.280 178.842 177.584 -0.036 0.000 1.174 493 A CA 1.228 53.243 52.037 -0.036 0.000 0.750 493 A CB -0.449 18.539 19.000 -0.020 0.000 0.780 493 A HN 0.587 nan 8.150 nan 0.000 0.478 494 G N -2.195 106.576 108.800 -0.049 0.000 2.157 494 G HA2 -0.166 3.686 3.960 -0.180 0.000 0.239 494 G HA3 -0.166 3.686 3.960 -0.180 0.000 0.239 494 G C -0.090 174.786 174.900 -0.040 0.000 0.982 494 G CA 0.078 45.152 45.100 -0.043 0.000 0.650 494 G HN 0.343 nan 8.290 nan 0.000 0.527 495 L N 2.208 123.406 121.223 -0.043 0.000 2.461 495 L HA 0.481 4.713 4.340 -0.180 0.000 0.272 495 L C 1.742 178.578 176.870 -0.057 0.000 1.197 495 L CA 0.811 55.626 54.840 -0.043 0.000 0.836 495 L CB 0.336 42.371 42.059 -0.040 0.000 1.105 495 L HN 0.463 nan 8.230 nan 0.000 0.477 496 T N -0.513 114.009 114.554 -0.054 0.000 2.802 496 T HA 0.180 4.422 4.350 -0.180 0.000 0.305 496 T C 1.468 176.103 174.700 -0.108 0.000 1.053 496 T CA -0.476 61.585 62.100 -0.065 0.000 1.058 496 T CB 0.365 69.205 68.868 -0.047 0.000 0.988 496 T HN 0.467 nan 8.240 nan 0.000 0.539 497 L N 0.470 121.615 121.223 -0.130 0.000 2.013 497 L HA -0.189 4.043 4.340 -0.180 0.000 0.212 497 L C 3.366 180.039 176.870 -0.327 0.000 1.073 497 L CA 1.754 56.447 54.840 -0.244 0.000 0.753 497 L CB -0.556 41.407 42.059 -0.159 0.000 0.890 497 L HN 0.838 nan 8.230 nan 0.000 0.432 498 Q N -0.582 119.139 119.800 -0.132 0.000 2.077 498 Q HA -0.307 3.925 4.340 -0.180 0.000 0.206 498 Q C 2.219 178.194 176.000 -0.042 0.000 0.989 498 Q CA 2.133 57.912 55.803 -0.041 0.000 0.853 498 Q CB -0.038 28.698 28.738 -0.004 0.000 0.907 498 Q HN 0.603 nan 8.270 nan 0.000 0.418 499 Q N -0.351 119.413 119.800 -0.060 0.000 2.123 499 Q HA -0.170 4.063 4.340 -0.180 0.000 0.199 499 Q C 2.049 178.026 176.000 -0.039 0.000 0.966 499 Q CA 1.124 56.908 55.803 -0.032 0.000 0.845 499 Q CB 0.049 28.770 28.738 -0.029 0.000 0.907 499 Q HN 0.421 nan 8.270 nan 0.000 0.439 500 Q N -0.170 119.567 119.800 -0.105 0.000 2.112 500 Q HA -0.229 4.003 4.340 -0.180 0.000 0.206 500 Q C 1.708 177.709 176.000 0.003 0.000 0.987 500 Q CA 1.721 57.468 55.803 -0.094 0.000 0.858 500 Q CB -0.274 28.357 28.738 -0.178 0.000 0.905 500 Q HN 0.632 nan 8.270 nan 0.000 0.420 501 H N 0.159 119.236 119.070 0.012 0.000 2.333 501 H HA -0.060 4.388 4.556 -0.180 0.000 0.302 501 H C 2.310 177.647 175.328 0.017 0.000 1.075 501 H CA 0.817 56.873 56.048 0.014 0.000 1.348 501 H CB 0.183 29.952 29.762 0.011 0.000 1.393 501 H HN 0.265 nan 8.280 nan 0.000 0.509 502 Q N 0.615 120.505 119.800 0.149 0.000 2.045 502 Q HA -0.222 4.010 4.340 -0.180 0.000 0.206 502 Q C 2.432 178.475 176.000 0.072 0.000 0.991 502 Q CA 1.545 57.400 55.803 0.086 0.000 0.851 502 Q CB -0.109 28.663 28.738 0.056 0.000 0.911 502 Q HN 0.352 nan 8.270 nan 0.000 0.418 503 R N 0.569 121.107 120.500 0.062 0.000 2.070 503 R HA -0.195 4.037 4.340 -0.180 0.000 0.233 503 R C 2.343 178.684 176.300 0.069 0.000 1.137 503 R CA 1.379 57.513 56.100 0.057 0.000 0.945 503 R CB -0.470 29.854 30.300 0.040 0.000 0.845 503 R HN 0.249 nan 8.270 nan 0.000 0.430 504 L N 0.845 122.115 121.223 0.078 0.000 2.021 504 L HA -0.216 4.017 4.340 -0.180 0.000 0.215 504 L C 2.297 179.212 176.870 0.075 0.000 1.074 504 L CA 2.433 57.321 54.840 0.080 0.000 0.760 504 L CB -0.753 41.368 42.059 0.103 0.000 0.889 504 L HN 0.343 nan 8.230 nan 0.000 0.433 505 A N -1.040 121.824 122.820 0.075 0.000 1.865 505 A HA -0.311 3.901 4.320 -0.180 0.000 0.217 505 A C 2.178 179.799 177.584 0.063 0.000 1.191 505 A CA 2.040 54.113 52.037 0.059 0.000 0.623 505 A CB -0.794 18.236 19.000 0.050 0.000 0.826 505 A HN 0.680 nan 8.150 nan 0.000 0.444 506 Q N -0.528 119.312 119.800 0.066 0.000 2.152 506 Q HA -0.147 4.085 4.340 -0.180 0.000 0.206 506 Q C 1.981 178.043 176.000 0.102 0.000 0.985 506 Q CA 1.692 57.539 55.803 0.073 0.000 0.863 506 Q CB -0.365 28.416 28.738 0.071 0.000 0.904 506 Q HN 0.712 nan 8.270 nan 0.000 0.422 507 L N -0.416 120.874 121.223 0.111 0.000 2.209 507 L HA -0.077 4.155 4.340 -0.180 0.000 0.207 507 L C 2.066 179.015 176.870 0.132 0.000 1.094 507 L CA 0.458 55.385 54.840 0.146 0.000 0.790 507 L CB -0.211 41.916 42.059 0.113 0.000 0.932 507 L HN 0.221 nan 8.230 nan 0.000 0.447 508 L N -0.329 120.951 121.223 0.096 0.000 2.141 508 L HA -0.187 4.045 4.340 -0.180 0.000 0.209 508 L C 2.309 179.233 176.870 0.089 0.000 1.094 508 L CA 1.091 55.983 54.840 0.087 0.000 0.763 508 L CB -0.373 41.728 42.059 0.069 0.000 0.908 508 L HN 0.316 nan 8.230 nan 0.000 0.437 509 L N -0.503 120.769 121.223 0.082 0.000 2.478 509 L HA -0.107 4.125 4.340 -0.180 0.000 0.223 509 L C 2.261 179.180 176.870 0.081 0.000 1.140 509 L CA 0.686 55.566 54.840 0.068 0.000 0.842 509 L CB -0.142 41.945 42.059 0.047 0.000 0.953 509 L HN 0.279 nan 8.230 nan 0.000 0.452 510 I N -0.593 120.043 120.570 0.111 0.000 2.500 510 I HA -0.224 3.838 4.170 -0.180 0.000 0.252 510 I C 2.285 178.485 176.117 0.139 0.000 1.142 510 I CA 0.728 62.104 61.300 0.126 0.000 1.451 510 I CB -0.066 38.035 38.000 0.167 0.000 1.093 510 I HN 0.215 nan 8.210 nan 0.000 0.430 511 L N 0.060 121.362 121.223 0.132 0.000 2.079 511 L HA -0.237 3.995 4.340 -0.180 0.000 0.210 511 L C 2.749 179.670 176.870 0.085 0.000 1.081 511 L CA 1.381 56.284 54.840 0.105 0.000 0.752 511 L CB -0.659 41.458 42.059 0.097 0.000 0.896 511 L HN 0.285 nan 8.230 nan 0.000 0.433 512 S N -0.586 115.169 115.700 0.093 0.000 2.359 512 S HA -0.295 4.067 4.470 -0.180 0.000 0.224 512 S C 2.078 176.748 174.600 0.117 0.000 1.035 512 S CA 1.723 59.977 58.200 0.090 0.000 1.018 512 S CB -0.283 62.960 63.200 0.072 0.000 0.876 512 S HN 0.607 nan 8.310 nan 0.000 0.448 513 H N 0.458 119.537 119.070 0.014 0.000 2.457 513 H HA 0.152 4.609 4.556 -0.164 0.000 0.294 513 H C 1.728 177.075 175.328 0.032 0.000 1.064 513 H CA 1.779 57.830 56.048 0.005 0.000 1.330 513 H CB -0.331 29.401 29.762 -0.049 0.000 1.395 513 H HN 0.475 nan 8.280 nan 0.000 0.541 514 I N -0.530 119.982 120.570 -0.097 0.000 2.333 514 I HA -0.134 3.928 4.170 -0.180 0.000 0.246 514 I C 2.573 178.623 176.117 -0.111 0.000 1.106 514 I CA 0.915 62.123 61.300 -0.152 0.000 1.411 514 I CB -0.143 37.836 38.000 -0.036 0.000 1.082 514 I HN 0.126 nan 8.210 nan 0.000 0.420 515 R N 0.407 120.888 120.500 -0.032 0.000 2.105 515 R HA -0.258 3.974 4.340 -0.180 0.000 0.239 515 R C 2.301 178.579 176.300 -0.038 0.000 1.135 515 R CA 1.821 57.907 56.100 -0.023 0.000 0.967 515 R CB -0.606 29.712 30.300 0.031 0.000 0.861 515 R HN 0.438 nan 8.270 nan 0.000 0.442 516 H N -0.748 118.262 119.070 -0.099 0.000 2.363 516 H HA 0.044 4.515 4.556 -0.141 0.000 0.301 516 H C 1.810 177.053 175.328 -0.142 0.000 1.074 516 H CA 2.221 58.215 56.048 -0.090 0.000 1.354 516 H CB 0.012 29.755 29.762 -0.031 0.000 1.397 516 H HN 0.169 nan 8.280 nan 0.000 0.516 517 M N -0.810 118.682 119.600 -0.181 0.000 2.117 517 M HA -0.180 4.192 4.480 -0.180 0.000 0.262 517 M C 2.619 178.777 176.300 -0.236 0.000 1.065 517 M CA 1.705 56.868 55.300 -0.228 0.000 1.114 517 M CB -0.161 32.268 32.600 -0.285 0.000 1.361 517 M HN 0.341 nan 8.290 nan 0.000 0.408 518 S N 0.556 116.115 115.700 -0.234 0.000 2.368 518 S HA -0.132 4.230 4.470 -0.180 0.000 0.224 518 S C 1.379 175.804 174.600 -0.293 0.000 1.029 518 S CA 1.764 59.801 58.200 -0.273 0.000 0.988 518 S CB -0.472 62.562 63.200 -0.276 0.000 0.838 518 S HN 0.536 nan 8.310 nan 0.000 0.462 519 N N 0.707 119.253 118.700 -0.256 0.000 2.104 519 N HA -0.072 4.560 4.740 -0.180 0.000 0.190 519 N C 1.859 177.231 175.510 -0.231 0.000 1.024 519 N CA 1.190 54.098 53.050 -0.236 0.000 0.853 519 N CB -0.042 38.331 38.487 -0.191 0.000 1.008 519 N HN 0.260 nan 8.380 nan 0.000 0.424 520 K N 0.549 120.785 120.400 -0.272 0.000 2.057 520 K HA -0.022 4.190 4.320 -0.180 0.000 0.206 520 K C 2.182 178.723 176.600 -0.098 0.000 1.050 520 K CA 1.100 57.269 56.287 -0.195 0.000 0.935 520 K CB -0.788 31.575 32.500 -0.229 0.000 0.715 520 K HN 0.264 nan 8.250 nan 0.000 0.439 521 G N 0.915 109.642 108.800 -0.122 0.000 2.422 521 G HA2 -0.247 3.605 3.960 -0.180 0.000 0.218 521 G HA3 -0.247 3.605 3.960 -0.180 0.000 0.218 521 G C 1.585 176.468 174.900 -0.028 0.000 1.140 521 G CA 0.669 45.736 45.100 -0.055 0.000 0.775 521 G HN 0.157 nan 8.290 nan 0.000 0.545 522 M N 0.639 120.157 119.600 -0.137 0.000 2.117 522 M HA 0.026 4.398 4.480 -0.180 0.000 0.262 522 M C 2.341 178.651 176.300 0.016 0.000 1.065 522 M CA 1.136 56.359 55.300 -0.128 0.000 1.114 522 M CB -0.228 32.169 32.600 -0.339 0.000 1.361 522 M HN 0.130 nan 8.290 nan 0.000 0.408 523 E N -1.273 118.928 120.200 0.002 0.000 2.072 523 E HA -0.230 4.012 4.350 -0.180 0.000 0.191 523 E C 2.146 178.828 176.600 0.137 0.000 0.985 523 E CA 1.169 57.604 56.400 0.058 0.000 0.801 523 E CB -0.765 28.937 29.700 0.004 0.000 0.750 523 E HN 0.667 nan 8.360 nan 0.000 0.452 524 H N 0.594 119.684 119.070 0.034 0.000 2.387 524 H HA -0.090 4.332 4.556 -0.224 0.000 0.299 524 H C 2.125 177.491 175.328 0.064 0.000 1.090 524 H CA 0.963 57.037 56.048 0.043 0.000 1.332 524 H CB 0.122 29.895 29.762 0.019 0.000 1.386 524 H HN 0.079 nan 8.280 nan 0.000 0.516 525 L N 0.445 121.742 121.223 0.123 0.000 2.291 525 L HA -0.131 4.101 4.340 -0.180 0.000 0.214 525 L C 2.159 179.071 176.870 0.070 0.000 1.120 525 L CA 1.148 56.043 54.840 0.092 0.000 0.799 525 L CB -0.790 41.365 42.059 0.160 0.000 0.925 525 L HN 0.212 nan 8.230 nan 0.000 0.446 526 Y N -0.751 119.543 120.300 -0.010 0.000 2.337 526 Y HA -0.160 4.266 4.550 -0.207 0.000 0.293 526 Y C 2.664 178.541 175.900 -0.039 0.000 1.123 526 Y CA 1.392 59.489 58.100 -0.005 0.000 1.201 526 Y CB -0.039 38.428 38.460 0.012 0.000 1.011 526 Y HN 0.404 nan 8.280 nan 0.000 0.545 527 S N -0.895 114.809 115.700 0.006 0.000 2.388 527 S HA -0.120 4.242 4.470 -0.180 0.000 0.223 527 S C 1.805 176.302 174.600 -0.173 0.000 1.034 527 S CA 0.850 59.000 58.200 -0.084 0.000 0.963 527 S CB -0.396 62.767 63.200 -0.062 0.000 0.827 527 S HN 0.286 nan 8.310 nan 0.000 0.481 528 M N 1.748 121.210 119.600 -0.230 0.000 2.539 528 M HA 0.149 4.522 4.480 -0.180 0.000 0.261 528 M C 1.992 178.210 176.300 -0.137 0.000 1.069 528 M CA 0.973 56.159 55.300 -0.190 0.000 1.081 528 M CB -1.032 31.451 32.600 -0.195 0.000 1.412 528 M HN 0.403 nan 8.290 nan 0.000 0.482 529 K N -0.008 120.288 120.400 -0.173 0.000 2.056 529 K HA -0.001 4.211 4.320 -0.180 0.000 0.205 529 K C 1.882 178.355 176.600 -0.211 0.000 1.035 529 K CA 1.181 57.353 56.287 -0.191 0.000 0.955 529 K CB -0.582 31.753 32.500 -0.275 0.000 0.769 529 K HN 0.317 nan 8.250 nan 0.000 0.447 530 C N 1.836 120.956 119.300 -0.300 0.000 2.400 530 C HA -0.057 4.295 4.460 -0.180 0.000 0.291 530 C C 2.595 177.509 174.990 -0.127 0.000 1.372 530 C CA 0.891 59.775 59.018 -0.224 0.000 1.800 530 C CB -0.744 26.864 27.740 -0.220 0.000 1.869 530 C HN 0.512 nan 8.230 nan 0.000 0.533 531 K N 0.490 120.820 120.400 -0.117 0.000 2.305 531 K HA -0.010 4.202 4.320 -0.180 0.000 0.199 531 K C 0.861 177.422 176.600 -0.065 0.000 1.047 531 K CA 0.452 56.691 56.287 -0.080 0.000 0.976 531 K CB -0.164 32.287 32.500 -0.081 0.000 0.765 531 K HN 0.566 nan 8.250 nan 0.000 0.474 532 N N -0.642 118.015 118.700 -0.071 0.000 2.765 532 N HA -0.234 4.398 4.740 -0.180 0.000 0.248 532 N C 0.714 176.199 175.510 -0.042 0.000 1.063 532 N CA 0.555 53.573 53.050 -0.053 0.000 0.862 532 N CB -1.166 37.295 38.487 -0.044 0.000 1.145 532 N HN 0.011 nan 8.380 nan 0.000 0.581 533 V N 0.352 120.239 119.914 -0.045 0.000 2.469 533 V HA -0.147 3.865 4.120 -0.180 0.000 0.251 533 V C 0.815 176.890 176.094 -0.032 0.000 1.064 533 V CA 1.576 63.854 62.300 -0.036 0.000 1.066 533 V CB 0.104 31.903 31.823 -0.041 0.000 0.667 533 V HN 0.234 nan 8.190 nan 0.000 0.461 534 V N 0.075 119.967 119.914 -0.036 0.000 2.524 534 V HA 0.401 4.413 4.120 -0.180 0.000 0.297 534 V C -2.632 173.446 176.094 -0.026 0.000 1.035 534 V CA -2.003 60.279 62.300 -0.028 0.000 0.867 534 V CB 1.149 32.955 31.823 -0.027 0.000 1.004 534 V HN 0.161 nan 8.190 nan 0.000 0.426 535 P HA 0.245 nan 4.420 nan 0.000 0.265 535 P C -0.827 176.464 177.300 -0.014 0.000 1.187 535 P CA 0.249 63.338 63.100 -0.018 0.000 0.766 535 P CB 0.506 32.199 31.700 -0.013 0.000 0.820 536 L N 1.454 122.668 121.223 -0.015 0.000 2.365 536 L HA 0.363 4.595 4.340 -0.180 0.000 0.273 536 L C 0.689 177.549 176.870 -0.016 0.000 1.000 536 L CA -0.963 53.871 54.840 -0.011 0.000 0.819 536 L CB 1.937 43.992 42.059 -0.008 0.000 1.284 536 L HN 0.394 nan 8.230 nan 0.000 0.418 537 S N -0.249 115.439 115.700 -0.019 0.000 2.569 537 S HA -0.000 4.362 4.470 -0.180 0.000 0.274 537 S C 0.589 175.167 174.600 -0.036 0.000 1.353 537 S CA -0.546 57.638 58.200 -0.026 0.000 1.023 537 S CB 0.828 64.010 63.200 -0.029 0.000 0.876 537 S HN 0.615 nan 8.310 nan 0.000 0.540 538 D N 0.258 120.639 120.400 -0.032 0.000 2.178 538 D HA -0.082 4.450 4.640 -0.180 0.000 0.201 538 D C 1.710 177.978 176.300 -0.052 0.000 0.980 538 D CA 0.752 54.732 54.000 -0.033 0.000 0.842 538 D CB -0.255 40.531 40.800 -0.023 0.000 0.948 538 D HN 0.428 nan 8.370 nan 0.000 0.472 539 L N 0.857 122.037 121.223 -0.071 0.000 1.988 539 L HA -0.112 4.120 4.340 -0.180 0.000 0.207 539 L C 2.243 179.003 176.870 -0.184 0.000 1.071 539 L CA 1.269 56.039 54.840 -0.116 0.000 0.744 539 L CB -0.969 41.020 42.059 -0.117 0.000 0.893 539 L HN -0.044 nan 8.230 nan 0.000 0.433 540 L N -1.059 120.054 121.223 -0.184 0.000 2.129 540 L HA -0.232 4.000 4.340 -0.180 0.000 0.212 540 L C 2.246 179.037 176.870 -0.132 0.000 1.087 540 L CA 1.615 56.316 54.840 -0.231 0.000 0.757 540 L CB -0.646 41.349 42.059 -0.106 0.000 0.896 540 L HN 0.324 nan 8.230 nan 0.000 0.434 541 L N -0.804 120.378 121.223 -0.069 0.000 2.095 541 L HA -0.106 4.126 4.340 -0.180 0.000 0.204 541 L C 2.433 179.304 176.870 0.002 0.000 1.080 541 L CA 1.555 56.386 54.840 -0.014 0.000 0.759 541 L CB -0.745 41.305 42.059 -0.014 0.000 0.914 541 L HN 0.354 nan 8.230 nan 0.000 0.439 542 E N -1.323 118.858 120.200 -0.032 0.000 2.204 542 E HA -0.193 4.049 4.350 -0.180 0.000 0.194 542 E C 1.990 178.585 176.600 -0.008 0.000 0.989 542 E CA 0.910 57.302 56.400 -0.014 0.000 0.824 542 E CB -0.056 29.624 29.700 -0.033 0.000 0.756 542 E HN 0.396 nan 8.360 nan 0.000 0.477 543 M N -0.024 119.517 119.600 -0.098 0.000 2.447 543 M HA -0.021 4.351 4.480 -0.180 0.000 0.264 543 M C 2.087 178.543 176.300 0.258 0.000 1.095 543 M CA 0.668 55.888 55.300 -0.134 0.000 1.125 543 M CB -0.273 31.811 32.600 -0.861 0.000 1.389 543 M HN 0.146 nan 8.290 nan 0.000 0.459 544 L N 0.530 121.894 121.223 0.235 0.000 2.307 544 L HA 0.008 4.240 4.340 -0.180 0.000 0.211 544 L C 1.575 178.628 176.870 0.304 0.000 1.099 544 L CA 1.647 56.710 54.840 0.372 0.000 0.816 544 L CB -0.733 41.507 42.059 0.301 0.000 0.952 544 L HN 0.104 nan 8.230 nan 0.000 0.455 545 D N -0.138 120.380 120.400 0.198 0.000 2.123 545 D HA -0.184 4.348 4.640 -0.180 0.000 0.196 545 D C 2.198 178.594 176.300 0.159 0.000 0.992 545 D CA 1.427 55.524 54.000 0.161 0.000 0.833 545 D CB 0.127 40.986 40.800 0.098 0.000 0.954 545 D HN 0.412 nan 8.370 nan 0.000 0.455 546 A N -0.628 122.287 122.820 0.158 0.000 2.019 546 A HA -0.176 4.036 4.320 -0.180 0.000 0.219 546 A C 1.682 179.287 177.584 0.035 0.000 1.164 546 A CA 1.123 53.214 52.037 0.091 0.000 0.644 546 A CB -0.667 18.378 19.000 0.076 0.000 0.805 546 A HN 0.409 nan 8.150 nan 0.000 0.449 547 H N -1.390 117.768 119.070 0.147 0.000 2.547 547 H HA 0.152 4.676 4.556 -0.053 0.000 0.274 547 H C 2.033 177.390 175.328 0.048 0.000 1.024 547 H CA 0.997 57.106 56.048 0.101 0.000 1.155 547 H CB 0.126 29.953 29.762 0.107 0.000 1.344 547 H HN 0.634 nan 8.280 nan 0.000 0.598 548 R N 0.071 120.648 120.500 0.127 0.000 2.507 548 R HA 0.401 4.633 4.340 -0.180 0.000 0.230 548 R C 1.047 177.375 176.300 0.048 0.000 0.897 548 R CA 0.671 56.806 56.100 0.058 0.000 1.006 548 R CB -0.395 29.944 30.300 0.066 0.000 1.341 548 R HN 0.127 nan 8.270 nan 0.000 0.604 549 L N 0.000 121.260 121.223 0.061 0.000 2.949 549 L HA 0.000 4.232 4.340 -0.180 0.000 0.249 549 L CA 0.000 54.869 54.840 0.049 0.000 0.813 549 L CB 0.000 42.093 42.059 0.056 0.000 0.961 549 L HN 0.000 nan 8.230 nan 0.000 0.502