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 3hls_1_E DATA FIRST_RESID 344 DATA SEQUENCE GSHXATRDLV LLGEQFREEY KLTQELEXLT DRLQLTLRAL EDEKKKTDTL DATA SEQUENCE LYSVLPPSVA NELR 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 344 G HA2 0.000 nan 3.960 nan 0.000 0.244 344 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 344 G C 0.000 174.715 174.900 -0.308 0.000 0.946 344 G CA 0.000 45.007 45.100 -0.155 0.000 0.502 345 S N -0.510 114.920 115.700 -0.449 0.000 2.537 345 S HA 0.876 5.346 4.470 -0.001 0.000 0.301 345 S C -0.668 173.542 174.600 -0.650 0.000 1.092 345 S CA -0.428 57.531 58.200 -0.403 0.000 1.048 345 S CB 1.303 64.396 63.200 -0.178 0.000 1.053 345 S HN 0.650 nan 8.310 nan 0.000 0.501 349 T N 0.215 114.763 114.554 -0.009 0.000 2.759 349 T HA -0.161 4.189 4.350 -0.001 0.000 0.269 349 T C 1.952 176.640 174.700 -0.021 0.000 1.042 349 T CA 1.952 64.043 62.100 -0.015 0.000 1.140 349 T CB -0.263 68.597 68.868 -0.012 0.000 0.864 349 T HN 0.613 nan 8.240 nan 0.000 0.455 350 R N 0.874 121.363 120.500 -0.018 0.000 2.083 350 R HA -0.136 4.203 4.340 -0.001 0.000 0.237 350 R C 1.961 178.243 176.300 -0.031 0.000 1.137 350 R CA 1.841 57.928 56.100 -0.021 0.000 0.951 350 R CB -0.247 30.044 30.300 -0.015 0.000 0.851 350 R HN 0.380 nan 8.270 nan 0.000 0.434 351 D N 0.500 120.883 120.400 -0.029 0.000 2.117 351 D HA -0.159 4.480 4.640 -0.001 0.000 0.197 351 D C 2.050 178.311 176.300 -0.065 0.000 0.987 351 D CA 1.106 55.082 54.000 -0.040 0.000 0.829 351 D CB -0.108 40.677 40.800 -0.025 0.000 0.961 351 D HN 0.297 nan 8.370 nan 0.000 0.460 352 L N 0.620 121.808 121.223 -0.059 0.000 2.046 352 L HA -0.140 4.200 4.340 -0.001 0.000 0.208 352 L C 2.669 179.477 176.870 -0.105 0.000 1.077 352 L CA 0.547 55.337 54.840 -0.083 0.000 0.747 352 L CB -0.463 41.564 42.059 -0.054 0.000 0.896 352 L HN -0.094 nan 8.230 nan 0.000 0.432 353 V N 0.252 120.122 119.914 -0.073 0.000 2.287 353 V HA -0.312 3.808 4.120 -0.001 0.000 0.248 353 V C 2.417 178.459 176.094 -0.086 0.000 1.053 353 V CA 1.791 64.051 62.300 -0.067 0.000 1.027 353 V CB -0.418 31.381 31.823 -0.041 0.000 0.646 353 V HN 0.359 nan 8.190 nan 0.000 0.447 354 L N -1.119 120.054 121.223 -0.083 0.000 2.093 354 L HA -0.163 4.177 4.340 -0.001 0.000 0.208 354 L C 2.427 179.215 176.870 -0.137 0.000 1.085 354 L CA 1.193 55.983 54.840 -0.083 0.000 0.755 354 L CB -0.507 41.517 42.059 -0.060 0.000 0.904 354 L HN 0.342 nan 8.230 nan 0.000 0.435 355 L N 0.168 121.267 121.223 -0.208 0.000 2.093 355 L HA -0.044 4.295 4.340 -0.001 0.000 0.208 355 L C 2.414 178.916 176.870 -0.614 0.000 1.085 355 L CA 1.801 56.406 54.840 -0.392 0.000 0.755 355 L CB -0.800 41.012 42.059 -0.412 0.000 0.904 355 L HN 0.122 nan 8.230 nan 0.000 0.435 356 G N -1.307 107.249 108.800 -0.407 0.000 2.422 356 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.218 356 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.218 356 G C 1.450 176.277 174.900 -0.122 0.000 1.146 356 G CA 0.557 45.488 45.100 -0.282 0.000 0.769 356 G HN 0.347 nan 8.290 nan 0.000 0.547 357 E N 0.344 120.487 120.200 -0.095 0.000 2.106 357 E HA -0.072 4.277 4.350 -0.001 0.000 0.192 357 E C 2.782 179.394 176.600 0.019 0.000 0.984 357 E CA 0.577 56.965 56.400 -0.020 0.000 0.806 357 E CB -0.224 29.463 29.700 -0.021 0.000 0.750 357 E HN 0.344 nan 8.360 nan 0.000 0.458 358 Q N -0.254 119.538 119.800 -0.014 0.000 2.096 358 Q HA -0.116 4.224 4.340 -0.001 0.000 0.204 358 Q C 2.103 178.255 176.000 0.252 0.000 0.982 358 Q CA 0.863 56.711 55.803 0.075 0.000 0.850 358 Q CB -0.419 28.340 28.738 0.035 0.000 0.901 358 Q HN 0.292 nan 8.270 nan 0.000 0.422 359 F N 0.833 120.801 119.950 0.030 0.000 2.146 359 F HA -0.083 4.443 4.527 -0.001 0.000 0.298 359 F C 2.406 178.252 175.800 0.075 0.000 1.096 359 F CA 0.829 58.853 58.000 0.039 0.000 1.275 359 F CB -0.700 38.306 39.000 0.010 0.000 1.008 359 F HN 0.101 nan 8.300 nan 0.000 0.480 360 R N 0.105 120.761 120.500 0.259 0.000 2.081 360 R HA -0.145 4.194 4.340 -0.001 0.000 0.235 360 R C 2.103 178.516 176.300 0.188 0.000 1.131 360 R CA 1.285 57.508 56.100 0.204 0.000 0.960 360 R CB -0.257 30.119 30.300 0.128 0.000 0.856 360 R HN 0.188 nan 8.270 nan 0.000 0.436 361 E N 0.742 121.028 120.200 0.143 0.000 2.051 361 E HA -0.183 4.167 4.350 -0.001 0.000 0.192 361 E C 1.870 178.532 176.600 0.103 0.000 0.991 361 E CA 1.238 57.699 56.400 0.101 0.000 0.799 361 E CB -0.059 29.686 29.700 0.076 0.000 0.748 361 E HN 0.446 nan 8.360 nan 0.000 0.449 362 E N -0.236 120.046 120.200 0.138 0.000 2.110 362 E HA -0.190 4.160 4.350 -0.001 0.000 0.193 362 E C 1.967 178.636 176.600 0.115 0.000 0.988 362 E CA 0.699 57.166 56.400 0.111 0.000 0.804 362 E CB -0.220 29.552 29.700 0.121 0.000 0.745 362 E HN 0.227 nan 8.360 nan 0.000 0.458 363 Y N 2.008 122.328 120.300 0.034 0.000 2.242 363 Y HA -0.162 4.388 4.550 -0.001 0.000 0.291 363 Y C 1.861 177.770 175.900 0.015 0.000 1.137 363 Y CA 1.375 59.484 58.100 0.016 0.000 1.181 363 Y CB 0.099 38.573 38.460 0.024 0.000 0.989 363 Y HN -0.167 nan 8.280 nan 0.000 0.527 364 K N -0.155 120.216 120.400 -0.048 0.000 2.063 364 K HA -0.177 4.143 4.320 -0.001 0.000 0.208 364 K C 2.030 178.553 176.600 -0.128 0.000 1.048 364 K CA 1.814 58.035 56.287 -0.111 0.000 0.928 364 K CB -0.370 32.121 32.500 -0.016 0.000 0.713 364 K HN 0.341 nan 8.250 nan 0.000 0.442 365 L N 0.447 121.628 121.223 -0.071 0.000 2.093 365 L HA -0.162 4.178 4.340 -0.001 0.000 0.208 365 L C 2.368 179.186 176.870 -0.087 0.000 1.085 365 L CA 1.156 55.961 54.840 -0.058 0.000 0.755 365 L CB -0.616 41.432 42.059 -0.018 0.000 0.904 365 L HN 0.190 nan 8.230 nan 0.000 0.435 366 T N -0.973 113.510 114.554 -0.119 0.000 2.821 366 T HA -0.201 4.149 4.350 -0.001 0.000 0.267 366 T C 1.909 176.494 174.700 -0.191 0.000 1.046 366 T CA 1.163 63.187 62.100 -0.127 0.000 1.139 366 T CB -0.100 68.721 68.868 -0.080 0.000 0.871 366 T HN 0.383 nan 8.240 nan 0.000 0.454 367 Q N 0.449 120.059 119.800 -0.316 0.000 2.119 367 Q HA -0.109 4.231 4.340 -0.001 0.000 0.201 367 Q C 2.369 178.283 176.000 -0.144 0.000 0.972 367 Q CA 1.156 56.797 55.803 -0.270 0.000 0.847 367 Q CB -0.096 28.433 28.738 -0.349 0.000 0.903 367 Q HN 0.595 nan 8.270 nan 0.000 0.433 368 E N 0.747 120.877 120.200 -0.118 0.000 2.077 368 E HA -0.182 4.168 4.350 -0.001 0.000 0.193 368 E C 1.963 178.529 176.600 -0.057 0.000 0.989 368 E CA 0.642 56.999 56.400 -0.072 0.000 0.800 368 E CB 0.024 29.690 29.700 -0.056 0.000 0.746 368 E HN 0.304 nan 8.360 nan 0.000 0.452 369 L N 0.991 122.179 121.223 -0.059 0.000 2.046 369 L HA -0.135 4.204 4.340 -0.001 0.000 0.208 369 L C 1.957 178.803 176.870 -0.040 0.000 1.077 369 L CA 0.837 55.651 54.840 -0.042 0.000 0.747 369 L CB -0.591 41.446 42.059 -0.037 0.000 0.896 369 L HN 0.263 nan 8.230 nan 0.000 0.432 373 T N -3.180 111.364 114.554 -0.016 0.000 2.904 373 T HA -0.084 4.265 4.350 -0.001 0.000 0.267 373 T C 1.264 175.958 174.700 -0.011 0.000 1.059 373 T CA 1.494 63.587 62.100 -0.012 0.000 1.137 373 T CB -0.192 68.668 68.868 -0.013 0.000 0.879 373 T HN 0.078 nan 8.240 nan 0.000 0.467 374 D N 1.509 121.901 120.400 -0.012 0.000 2.104 374 D HA -0.036 4.603 4.640 -0.001 0.000 0.194 374 D C 2.467 178.763 176.300 -0.008 0.000 0.994 374 D CA 0.995 54.989 54.000 -0.010 0.000 0.830 374 D CB -0.261 40.532 40.800 -0.011 0.000 0.959 374 D HN 0.417 nan 8.370 nan 0.000 0.452 375 R N 0.069 120.563 120.500 -0.009 0.000 2.096 375 R HA -0.022 4.318 4.340 -0.001 0.000 0.235 375 R C 2.568 178.864 176.300 -0.006 0.000 1.127 375 R CA 0.458 56.553 56.100 -0.008 0.000 0.968 375 R CB -0.350 29.945 30.300 -0.009 0.000 0.861 375 R HN 0.231 nan 8.270 nan 0.000 0.440 376 L N 0.743 121.962 121.223 -0.007 0.000 2.012 376 L HA -0.268 4.071 4.340 -0.001 0.000 0.210 376 L C 2.700 179.568 176.870 -0.004 0.000 1.073 376 L CA 1.406 56.243 54.840 -0.005 0.000 0.748 376 L CB -0.502 41.554 42.059 -0.006 0.000 0.891 376 L HN 0.263 nan 8.230 nan 0.000 0.431 377 Q N -0.560 119.238 119.800 -0.004 0.000 2.084 377 Q HA -0.207 4.133 4.340 -0.001 0.000 0.202 377 Q C 2.320 178.319 176.000 -0.002 0.000 0.978 377 Q CA 1.323 57.124 55.803 -0.003 0.000 0.844 377 Q CB -0.405 28.331 28.738 -0.003 0.000 0.898 377 Q HN 0.346 nan 8.270 nan 0.000 0.426 378 L N 0.439 121.660 121.223 -0.003 0.000 2.012 378 L HA -0.171 4.168 4.340 -0.001 0.000 0.210 378 L C 2.354 179.223 176.870 -0.002 0.000 1.073 378 L CA 1.949 56.787 54.840 -0.002 0.000 0.748 378 L CB -1.213 40.844 42.059 -0.003 0.000 0.891 378 L HN 0.207 nan 8.230 nan 0.000 0.431 379 T N -0.873 113.680 114.554 -0.002 0.000 2.857 379 T HA -0.103 4.246 4.350 -0.001 0.000 0.266 379 T C 2.038 176.738 174.700 -0.000 0.000 1.048 379 T CA 0.894 62.994 62.100 -0.001 0.000 1.139 379 T CB -0.199 68.668 68.868 -0.002 0.000 0.874 379 T HN 0.182 nan 8.240 nan 0.000 0.455 380 L N 0.618 121.840 121.223 -0.001 0.000 2.046 380 L HA -0.070 4.270 4.340 -0.001 0.000 0.208 380 L C 2.872 179.742 176.870 0.001 0.000 1.077 380 L CA 1.317 56.157 54.840 0.000 0.000 0.747 380 L CB -0.435 41.624 42.059 -0.000 0.000 0.896 380 L HN 0.162 nan 8.230 nan 0.000 0.432 381 R N 0.247 120.747 120.500 0.000 0.000 2.081 381 R HA -0.171 4.168 4.340 -0.001 0.000 0.235 381 R C 2.301 178.602 176.300 0.002 0.000 1.131 381 R CA 1.401 57.502 56.100 0.001 0.000 0.960 381 R CB -0.211 30.089 30.300 0.000 0.000 0.856 381 R HN 0.332 nan 8.270 nan 0.000 0.436 382 A N 1.030 123.851 122.820 0.001 0.000 1.930 382 A HA -0.145 4.174 4.320 -0.001 0.000 0.217 382 A C 2.012 179.598 177.584 0.003 0.000 1.175 382 A CA 1.128 53.166 52.037 0.002 0.000 0.627 382 A CB -0.531 18.470 19.000 0.001 0.000 0.815 382 A HN 0.389 nan 8.150 nan 0.000 0.443 383 L N 0.022 121.247 121.223 0.003 0.000 2.093 383 L HA -0.109 4.230 4.340 -0.001 0.000 0.208 383 L C 2.174 179.048 176.870 0.006 0.000 1.085 383 L CA 2.384 57.227 54.840 0.004 0.000 0.755 383 L CB -0.607 41.455 42.059 0.004 0.000 0.904 383 L HN 0.557 nan 8.230 nan 0.000 0.435 384 E N -0.575 119.629 120.200 0.005 0.000 2.058 384 E HA -0.249 4.100 4.350 -0.001 0.000 0.194 384 E C 1.686 178.291 176.600 0.007 0.000 0.997 384 E CA 1.534 57.938 56.400 0.006 0.000 0.801 384 E CB 0.018 29.720 29.700 0.004 0.000 0.746 384 E HN 0.563 nan 8.360 nan 0.000 0.450 385 D N 0.480 120.883 120.400 0.006 0.000 2.104 385 D HA -0.174 4.466 4.640 -0.001 0.000 0.194 385 D C 1.875 178.181 176.300 0.009 0.000 0.994 385 D CA 0.922 54.926 54.000 0.007 0.000 0.830 385 D CB -0.214 40.589 40.800 0.005 0.000 0.959 385 D HN 0.166 nan 8.370 nan 0.000 0.452 386 E N 0.778 120.983 120.200 0.009 0.000 2.077 386 E HA -0.113 4.236 4.350 -0.001 0.000 0.193 386 E C 2.036 178.644 176.600 0.014 0.000 0.989 386 E CA 0.681 57.087 56.400 0.010 0.000 0.800 386 E CB -0.154 29.550 29.700 0.008 0.000 0.746 386 E HN 0.351 nan 8.360 nan 0.000 0.452 387 K N 0.822 121.231 120.400 0.015 0.000 2.097 387 K HA -0.141 4.178 4.320 -0.001 0.000 0.206 387 K C 2.213 178.831 176.600 0.029 0.000 1.049 387 K CA 1.204 57.504 56.287 0.022 0.000 0.933 387 K CB -0.076 32.436 32.500 0.020 0.000 0.717 387 K HN 0.007 nan 8.250 nan 0.000 0.442 388 K N 1.773 122.187 120.400 0.023 0.000 2.057 388 K HA -0.174 4.145 4.320 -0.001 0.000 0.207 388 K C 1.656 178.274 176.600 0.031 0.000 1.049 388 K CA 1.518 57.820 56.287 0.025 0.000 0.931 388 K CB 0.045 32.554 32.500 0.015 0.000 0.714 388 K HN -0.028 nan 8.250 nan 0.000 0.440 389 K N 0.120 120.535 120.400 0.025 0.000 2.097 389 K HA -0.077 4.243 4.320 -0.001 0.000 0.206 389 K C 2.123 178.741 176.600 0.032 0.000 1.049 389 K CA 1.939 58.240 56.287 0.025 0.000 0.933 389 K CB -0.108 32.403 32.500 0.017 0.000 0.717 389 K HN 0.239 nan 8.250 nan 0.000 0.442 390 T N 0.946 115.518 114.554 0.031 0.000 2.777 390 T HA -0.171 4.179 4.350 -0.001 0.000 0.266 390 T C 1.491 176.225 174.700 0.057 0.000 1.040 390 T CA 1.799 63.918 62.100 0.031 0.000 1.141 390 T CB -0.319 68.564 68.868 0.025 0.000 0.868 390 T HN 0.335 nan 8.240 nan 0.000 0.444 391 D N 0.862 121.315 120.400 0.088 0.000 2.097 391 D HA -0.139 4.500 4.640 -0.001 0.000 0.195 391 D C 2.400 178.831 176.300 0.220 0.000 0.989 391 D CA 1.967 56.072 54.000 0.175 0.000 0.827 391 D CB -0.252 40.628 40.800 0.133 0.000 0.966 391 D HN 0.462 nan 8.370 nan 0.000 0.456 392 T N -1.239 113.389 114.554 0.123 0.000 2.821 392 T HA -0.175 4.175 4.350 -0.001 0.000 0.267 392 T C 2.014 176.774 174.700 0.100 0.000 1.046 392 T CA 1.141 63.307 62.100 0.110 0.000 1.139 392 T CB -0.568 68.334 68.868 0.058 0.000 0.871 392 T HN 0.153 nan 8.240 nan 0.000 0.454 393 L N 0.664 121.925 121.223 0.064 0.000 2.012 393 L HA 0.146 4.485 4.340 -0.001 0.000 0.210 393 L C 2.406 179.281 176.870 0.008 0.000 1.073 393 L CA 1.680 56.539 54.840 0.031 0.000 0.748 393 L CB -1.258 40.809 42.059 0.014 0.000 0.891 393 L HN 0.367 nan 8.230 nan 0.000 0.431 394 L N -1.314 119.899 121.223 -0.017 0.000 2.012 394 L HA -0.260 4.079 4.340 -0.001 0.000 0.210 394 L C 2.095 178.821 176.870 -0.240 0.000 1.073 394 L CA 1.945 56.683 54.840 -0.170 0.000 0.748 394 L CB -0.673 41.209 42.059 -0.295 0.000 0.891 394 L HN 0.365 nan 8.230 nan 0.000 0.431 395 Y N -1.211 119.089 120.300 -0.001 0.000 2.544 395 Y HA -0.016 4.534 4.550 -0.000 0.000 0.286 395 Y C 2.693 178.593 175.900 -0.000 0.000 1.141 395 Y CA 0.711 58.810 58.100 -0.001 0.000 1.299 395 Y CB -0.563 37.897 38.460 -0.001 0.000 1.030 395 Y HN 0.374 nan 8.280 nan 0.000 0.543 396 S N -0.293 115.475 115.700 0.113 0.000 2.423 396 S HA -0.141 4.328 4.470 -0.001 0.000 0.231 396 S C 1.871 176.494 174.600 0.038 0.000 1.014 396 S CA 1.159 59.400 58.200 0.067 0.000 0.965 396 S CB -1.147 62.080 63.200 0.045 0.000 0.785 396 S HN 0.323 nan 8.310 nan 0.000 0.495 397 V N -1.148 118.777 119.914 0.017 0.000 3.306 397 V HA 0.402 4.522 4.120 -0.001 0.000 0.264 397 V C 0.792 176.891 176.094 0.008 0.000 1.149 397 V CA -0.006 62.295 62.300 0.001 0.000 1.143 397 V CB -1.057 30.753 31.823 -0.021 0.000 0.767 397 V HN 0.404 nan 8.190 nan 0.000 0.476 398 L N 0.866 122.105 121.223 0.027 0.000 2.421 398 L HA 0.484 4.824 4.340 -0.001 0.000 0.263 398 L C -2.090 174.805 176.870 0.041 0.000 1.122 398 L CA -1.915 52.948 54.840 0.038 0.000 0.804 398 L CB 0.540 42.644 42.059 0.076 0.000 1.150 398 L HN 0.043 nan 8.230 nan 0.000 0.457 399 P HA 0.084 nan 4.420 nan 0.000 0.267 399 P C -2.187 175.133 177.300 0.034 0.000 1.205 399 P CA -1.007 62.110 63.100 0.028 0.000 0.765 399 P CB 0.206 31.919 31.700 0.021 0.000 0.828 400 P HA -0.191 nan 4.420 nan 0.000 0.219 400 P C 1.403 178.715 177.300 0.020 0.000 1.146 400 P CA 1.480 64.596 63.100 0.027 0.000 0.808 400 P CB -0.133 31.578 31.700 0.018 0.000 0.779 401 S N -1.462 114.248 115.700 0.017 0.000 2.387 401 S HA -0.085 4.385 4.470 -0.001 0.000 0.226 401 S C 1.952 176.562 174.600 0.017 0.000 1.026 401 S CA 1.091 59.298 58.200 0.012 0.000 0.972 401 S CB -1.644 61.562 63.200 0.009 0.000 0.814 401 S HN -0.038 nan 8.310 nan 0.000 0.477 402 V N 2.918 122.849 119.914 0.028 0.000 2.295 402 V HA -0.105 4.014 4.120 -0.001 0.000 0.246 402 V C 3.206 179.336 176.094 0.060 0.000 1.049 402 V CA 1.658 63.982 62.300 0.040 0.000 1.024 402 V CB -1.646 30.203 31.823 0.042 0.000 0.648 402 V HN 0.652 nan 8.190 nan 0.000 0.447 403 A N 0.537 123.403 122.820 0.078 0.000 1.917 403 A HA -0.340 3.980 4.320 -0.001 0.000 0.219 403 A C 2.073 179.655 177.584 -0.004 0.000 1.182 403 A CA 2.553 54.654 52.037 0.106 0.000 0.633 403 A CB -0.963 18.108 19.000 0.118 0.000 0.819 403 A HN 0.621 nan 8.150 nan 0.000 0.448 404 N N -0.242 118.451 118.700 -0.010 0.000 2.120 404 N HA -0.158 4.581 4.740 -0.001 0.000 0.188 404 N C 1.664 177.151 175.510 -0.039 0.000 1.024 404 N CA 1.779 54.807 53.050 -0.037 0.000 0.852 404 N CB -0.161 38.314 38.487 -0.020 0.000 1.003 404 N HN 0.495 nan 8.380 nan 0.000 0.424 405 E N -0.422 119.771 120.200 -0.013 0.000 2.107 405 E HA -0.101 4.248 4.350 -0.001 0.000 0.191 405 E C 1.738 178.334 176.600 -0.007 0.000 0.982 405 E CA 0.925 57.321 56.400 -0.007 0.000 0.809 405 E CB -0.117 29.587 29.700 0.008 0.000 0.756 405 E HN 0.551 nan 8.360 nan 0.000 0.459 406 L N -1.690 119.538 121.223 0.008 0.000 2.556 406 L HA 0.313 4.653 4.340 -0.001 0.000 0.226 406 L C 1.432 178.298 176.870 -0.006 0.000 1.089 406 L CA 0.068 54.933 54.840 0.042 0.000 0.864 406 L CB -0.390 41.739 42.059 0.116 0.000 1.067 406 L HN -0.230 nan 8.230 nan 0.000 0.477 407 R N 0.000 120.379 120.500 -0.202 0.000 2.786 407 R HA 0.000 4.340 4.340 -0.001 0.000 0.208 407 R CA 0.000 55.815 56.100 -0.474 0.000 0.921 407 R CB 0.000 29.919 30.300 -0.635 0.000 0.687 407 R HN 0.000 nan 8.270 nan 0.000 0.535