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 1s3s_1_G DATA FIRST_RESID 253 DATA SEQUENCE FTGEGQKLGS TAPQVLNTSS PAQQAENEAK ASSSILINEA EPTTNIQIRL DATA SEQUENCE ADGGRLVQKF NHSHRISDIR LFIVDARPAM AATSFVLMTT FPNKELADEN DATA SEQUENCE QTLKEANLLN AVIVQRLT 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 253 F HA 0.000 nan 4.527 nan 0.000 0.279 253 F C 0.000 175.800 175.800 0.000 0.000 0.967 253 F CA 0.000 58.000 58.000 0.001 0.000 1.383 253 F CB 0.000 39.000 39.000 0.000 0.000 1.145 254 T N -0.537 114.017 114.554 0.000 0.000 3.403 254 T HA 0.658 5.008 4.350 -0.000 0.000 0.308 254 T C 1.906 176.606 174.700 0.000 0.000 0.952 254 T CA 0.765 62.865 62.100 0.000 0.000 0.970 254 T CB -0.591 68.277 68.868 0.000 0.000 1.189 254 T HN 2.403 nan 8.240 nan 0.000 0.528 255 G N 0.267 109.067 108.800 0.001 0.000 2.855 255 G HA2 0.478 4.437 3.960 -0.000 0.000 0.352 255 G HA3 0.478 4.437 3.960 -0.000 0.000 0.352 255 G C 0.329 175.230 174.900 0.001 0.000 1.415 255 G CA 0.875 45.975 45.100 0.001 0.000 0.871 255 G HN 2.054 nan 8.290 nan 0.000 0.543 256 E N -1.943 118.257 120.200 0.001 0.000 2.560 256 E HA 0.407 4.756 4.350 -0.000 0.000 0.158 256 E C 1.387 177.988 176.600 0.001 0.000 1.709 256 E CA 2.071 58.471 56.400 0.001 0.000 0.653 256 E CB -1.532 28.168 29.700 0.001 0.000 1.090 256 E HN 2.648 nan 8.360 nan 0.000 0.355 257 G N -0.407 108.393 108.800 0.001 0.000 2.513 257 G HA2 0.925 4.885 3.960 -0.000 0.000 0.317 257 G HA3 0.925 4.885 3.960 -0.000 0.000 0.317 257 G C -0.004 174.897 174.900 0.001 0.000 1.277 257 G CA 0.773 45.874 45.100 0.001 0.000 0.955 257 G HN 1.481 nan 8.290 nan 0.000 0.484 258 Q N -0.130 119.671 119.800 0.001 0.000 2.243 258 Q HA 0.753 5.093 4.340 -0.000 0.000 0.252 258 Q C 0.387 176.388 176.000 0.001 0.000 0.909 258 Q CA -0.173 55.630 55.803 0.001 0.000 0.922 258 Q CB 0.366 29.104 28.738 0.001 0.000 1.215 258 Q HN 1.338 nan 8.270 nan 0.000 0.427 259 K N 0.004 120.405 120.400 0.001 0.000 2.219 259 K HA 0.759 5.079 4.320 -0.000 0.000 0.258 259 K C 0.507 177.108 176.600 0.002 0.000 1.008 259 K CA 0.187 56.475 56.287 0.002 0.000 0.928 259 K CB 0.405 32.906 32.500 0.002 0.000 0.983 259 K HN 2.018 nan 8.250 nan 0.000 0.484 260 L N 2.118 123.342 121.223 0.002 0.000 2.598 260 L HA 0.601 4.941 4.340 -0.000 0.000 0.241 260 L C 0.908 177.779 176.870 0.002 0.000 1.244 260 L CA -0.159 54.682 54.840 0.002 0.000 1.198 260 L CB -0.472 41.588 42.059 0.002 0.000 1.448 260 L HN 1.064 nan 8.230 nan 0.000 0.406 261 G N -0.728 108.073 108.800 0.002 0.000 2.569 261 G HA2 0.464 4.424 3.960 -0.000 0.000 0.249 261 G HA3 0.464 4.424 3.960 -0.000 0.000 0.249 261 G C 1.211 176.112 174.900 0.003 0.000 1.216 261 G CA 0.372 45.474 45.100 0.002 0.000 0.845 261 G HN 1.246 nan 8.290 nan 0.000 0.568 262 S N -0.145 115.556 115.700 0.002 0.000 2.500 262 S HA 0.236 4.706 4.470 -0.000 0.000 0.239 262 S C 1.531 176.133 174.600 0.004 0.000 0.989 262 S CA 1.755 59.957 58.200 0.003 0.000 0.951 262 S CB -0.989 62.212 63.200 0.002 0.000 0.759 262 S HN 1.317 nan 8.310 nan 0.000 0.523 263 T N 1.041 115.597 114.554 0.004 0.000 2.932 263 T HA 0.596 4.946 4.350 -0.000 0.000 0.312 263 T C 0.513 175.218 174.700 0.009 0.000 1.071 263 T CA 0.013 62.117 62.100 0.006 0.000 1.128 263 T CB -0.120 68.751 68.868 0.005 0.000 0.984 263 T HN 0.956 nan 8.240 nan 0.000 0.549 264 A N 3.046 125.874 122.820 0.013 0.000 2.520 264 A HA 0.574 4.894 4.320 -0.000 0.000 0.235 264 A C -0.270 177.324 177.584 0.016 0.000 1.065 264 A CA -0.002 52.045 52.037 0.017 0.000 0.764 264 A CB -1.167 17.849 19.000 0.027 0.000 1.002 264 A HN 1.198 nan 8.150 nan 0.000 0.502 265 P HA 0.498 nan 4.420 nan 0.000 0.267 265 P C -0.139 177.169 177.300 0.013 0.000 1.201 265 P CA 1.094 64.202 63.100 0.013 0.000 0.775 265 P CB 0.149 31.857 31.700 0.013 0.000 0.854 266 Q N -1.041 118.763 119.800 0.007 0.000 2.226 266 Q HA 0.708 5.048 4.340 -0.000 0.000 0.256 266 Q C -0.236 175.764 176.000 -0.000 0.000 0.962 266 Q CA 0.048 55.852 55.803 0.002 0.000 0.887 266 Q CB 1.387 30.124 28.738 -0.002 0.000 1.282 266 Q HN 1.266 nan 8.270 nan 0.000 0.449 267 V N 0.615 120.524 119.914 -0.008 0.000 2.334 267 V HA 0.825 4.945 4.120 -0.000 0.000 0.281 267 V C 0.626 176.709 176.094 -0.019 0.000 1.016 267 V CA -0.090 62.203 62.300 -0.011 0.000 0.832 267 V CB 0.337 32.151 31.823 -0.016 0.000 0.999 267 V HN 1.535 nan 8.190 nan 0.000 0.439 268 L N 3.539 124.753 121.223 -0.014 0.000 2.977 268 L HA 0.826 5.166 4.340 -0.000 0.000 0.175 268 L C 1.136 177.995 176.870 -0.018 0.000 1.360 268 L CA -0.152 54.679 54.840 -0.015 0.000 1.392 268 L CB -0.413 41.640 42.059 -0.010 0.000 2.342 268 L HN 1.239 nan 8.230 nan 0.000 0.524 269 N N -0.495 118.196 118.700 -0.016 0.000 2.555 269 N HA 0.487 5.227 4.740 -0.000 0.000 0.244 269 N C 0.843 176.344 175.510 -0.016 0.000 1.114 269 N CA 0.516 53.556 53.050 -0.017 0.000 0.963 269 N CB -0.382 38.096 38.487 -0.015 0.000 1.276 269 N HN 1.356 nan 8.380 nan 0.000 0.510 270 T N -1.250 113.294 114.554 -0.018 0.000 3.023 270 T HA 0.423 4.773 4.350 -0.000 0.000 0.266 270 T C 1.460 176.150 174.700 -0.016 0.000 1.093 270 T CA 1.424 63.515 62.100 -0.015 0.000 1.129 270 T CB -0.327 68.532 68.868 -0.015 0.000 0.899 270 T HN 0.905 nan 8.240 nan 0.000 0.491 271 S N 0.473 116.161 115.700 -0.020 0.000 2.525 271 S HA 0.717 5.187 4.470 -0.000 0.000 0.278 271 S C 0.553 175.143 174.600 -0.017 0.000 1.234 271 S CA -0.077 58.111 58.200 -0.020 0.000 1.058 271 S CB 0.041 63.224 63.200 -0.027 0.000 0.983 271 S HN 0.856 nan 8.310 nan 0.000 0.495 272 S N 3.061 118.752 115.700 -0.015 0.000 2.603 272 S HA 0.610 5.080 4.470 -0.000 0.000 0.268 272 S C -0.826 173.767 174.600 -0.012 0.000 1.317 272 S CA -1.551 56.642 58.200 -0.012 0.000 1.012 272 S CB -0.213 62.981 63.200 -0.010 0.000 0.926 272 S HN 0.506 nan 8.310 nan 0.000 0.539 273 P HA -0.213 nan 4.420 nan 0.000 0.218 273 P C 1.384 178.679 177.300 -0.009 0.000 1.154 273 P CA 2.275 65.370 63.100 -0.008 0.000 0.872 273 P CB -0.030 31.667 31.700 -0.006 0.000 0.790 274 A N -0.410 122.405 122.820 -0.009 0.000 1.898 274 A HA -0.110 4.209 4.320 -0.000 0.000 0.214 274 A C 2.635 180.212 177.584 -0.013 0.000 1.183 274 A CA 2.328 54.360 52.037 -0.009 0.000 0.622 274 A CB -1.734 17.262 19.000 -0.008 0.000 0.824 274 A HN 0.256 nan 8.150 nan 0.000 0.444 275 Q N -0.338 119.453 119.800 -0.015 0.000 2.181 275 Q HA -0.247 4.093 4.340 -0.000 0.000 0.205 275 Q C 1.886 177.871 176.000 -0.026 0.000 0.980 275 Q CA 1.943 57.734 55.803 -0.020 0.000 0.862 275 Q CB -0.981 27.745 28.738 -0.020 0.000 0.905 275 Q HN 0.892 nan 8.270 nan 0.000 0.429 276 Q N -0.875 118.911 119.800 -0.024 0.000 2.369 276 Q HA 0.184 4.524 4.340 -0.000 0.000 0.206 276 Q C 2.347 178.332 176.000 -0.026 0.000 0.963 276 Q CA 0.788 56.573 55.803 -0.029 0.000 0.894 276 Q CB 0.034 28.758 28.738 -0.022 0.000 0.965 276 Q HN 0.733 nan 8.270 nan 0.000 0.475 277 A N 1.110 123.919 122.820 -0.018 0.000 1.935 277 A HA -0.096 4.224 4.320 -0.000 0.000 0.214 277 A C 2.115 179.688 177.584 -0.019 0.000 1.178 277 A CA 1.379 53.408 52.037 -0.012 0.000 0.640 277 A CB -0.577 18.419 19.000 -0.007 0.000 0.825 277 A HN 0.424 nan 8.150 nan 0.000 0.447 278 E N 0.539 120.725 120.200 -0.023 0.000 2.152 278 E HA -0.167 4.183 4.350 -0.000 0.000 0.192 278 E C 1.691 178.264 176.600 -0.044 0.000 0.983 278 E CA 1.272 57.655 56.400 -0.027 0.000 0.818 278 E CB -0.847 28.839 29.700 -0.024 0.000 0.758 278 E HN 0.605 nan 8.360 nan 0.000 0.467 279 N N 0.330 118.998 118.700 -0.054 0.000 2.244 279 N HA -0.086 4.653 4.740 -0.000 0.000 0.183 279 N C 1.742 177.177 175.510 -0.125 0.000 1.016 279 N CA 1.360 54.358 53.050 -0.086 0.000 0.866 279 N CB 0.024 38.462 38.487 -0.082 0.000 0.980 279 N HN 0.668 nan 8.380 nan 0.000 0.430 280 E N 0.556 120.706 120.200 -0.084 0.000 2.086 280 E HA 0.084 4.434 4.350 -0.000 0.000 0.190 280 E C 1.988 178.561 176.600 -0.044 0.000 0.975 280 E CA 0.614 56.970 56.400 -0.074 0.000 0.813 280 E CB -0.047 29.654 29.700 0.002 0.000 0.768 280 E HN 0.265 nan 8.360 nan 0.000 0.457 281 A N 2.041 124.844 122.820 -0.028 0.000 1.927 281 A HA -0.348 3.972 4.320 -0.000 0.000 0.220 281 A C 2.367 179.936 177.584 -0.024 0.000 1.185 281 A CA 2.997 55.026 52.037 -0.014 0.000 0.639 281 A CB -1.096 17.895 19.000 -0.015 0.000 0.820 281 A HN 0.269 nan 8.150 nan 0.000 0.451 282 K N -0.793 119.574 120.400 -0.055 0.000 1.973 282 K HA 0.093 4.413 4.320 -0.000 0.000 0.212 282 K C 2.551 179.111 176.600 -0.067 0.000 1.047 282 K CA 2.362 58.611 56.287 -0.063 0.000 0.937 282 K CB -1.658 30.791 32.500 -0.085 0.000 0.721 282 K HN 1.137 nan 8.250 nan 0.000 0.440 283 A N 1.465 124.193 122.820 -0.152 0.000 1.884 283 A HA -0.214 4.106 4.320 -0.000 0.000 0.219 283 A C 2.666 180.349 177.584 0.166 0.000 1.197 283 A CA 3.039 54.976 52.037 -0.167 0.000 0.637 283 A CB -1.053 17.408 19.000 -0.898 0.000 0.827 283 A HN 0.612 nan 8.150 nan 0.000 0.450 284 S N 0.187 115.982 115.700 0.159 0.000 2.383 284 S HA -0.181 4.289 4.470 -0.000 0.000 0.229 284 S C 2.267 176.894 174.600 0.046 0.000 1.030 284 S CA 1.819 60.101 58.200 0.136 0.000 1.002 284 S CB -0.512 62.745 63.200 0.096 0.000 0.829 284 S HN 0.932 nan 8.310 nan 0.000 0.467 285 S N 1.600 117.312 115.700 0.020 0.000 2.339 285 S HA 0.042 4.512 4.470 -0.000 0.000 0.213 285 S C 1.881 176.472 174.600 -0.014 0.000 1.033 285 S CA 0.794 58.993 58.200 -0.001 0.000 0.950 285 S CB -1.015 62.182 63.200 -0.005 0.000 0.893 285 S HN 0.278 nan 8.310 nan 0.000 0.492 286 S N 1.348 117.038 115.700 -0.016 0.000 2.508 286 S HA -0.125 4.344 4.470 -0.000 0.000 0.276 286 S C 0.641 175.221 174.600 -0.033 0.000 1.154 286 S CA 1.560 59.747 58.200 -0.022 0.000 1.079 286 S CB -0.596 62.589 63.200 -0.024 0.000 0.922 286 S HN 0.511 nan 8.310 nan 0.000 0.469 287 I N 0.058 120.589 120.570 -0.065 0.000 2.785 287 I HA 0.358 4.528 4.170 -0.000 0.000 0.302 287 I C -0.108 175.940 176.117 -0.115 0.000 1.069 287 I CA -1.033 60.197 61.300 -0.116 0.000 1.045 287 I CB 1.462 39.309 38.000 -0.254 0.000 1.236 287 I HN 0.003 nan 8.210 nan 0.000 0.429 288 L N 5.057 126.251 121.223 -0.048 0.000 2.513 288 L HA 0.218 4.558 4.340 -0.000 0.000 0.272 288 L C -0.226 176.683 176.870 0.065 0.000 1.187 288 L CA 0.412 55.270 54.840 0.030 0.000 0.895 288 L CB -0.112 42.003 42.059 0.094 0.000 1.147 288 L HN 0.333 nan 8.230 nan 0.000 0.483 289 I N 4.090 124.674 120.570 0.024 0.000 2.495 289 I HA 0.185 4.355 4.170 -0.000 0.000 0.277 289 I C -0.173 175.958 176.117 0.023 0.000 1.045 289 I CA -0.163 61.152 61.300 0.026 0.000 1.135 289 I CB 1.090 39.086 38.000 -0.008 0.000 1.241 289 I HN 0.595 nan 8.210 nan 0.000 0.469 290 N N 4.564 123.281 118.700 0.028 0.000 2.462 290 N HA 0.136 4.876 4.740 -0.000 0.000 0.242 290 N C 1.057 176.574 175.510 0.012 0.000 1.010 290 N CA 0.369 53.427 53.050 0.013 0.000 0.939 290 N CB 1.531 40.022 38.487 0.006 0.000 1.127 290 N HN 0.713 nan 8.380 nan 0.000 0.509 291 E N 3.013 123.219 120.200 0.010 0.000 2.171 291 E HA -0.170 4.180 4.350 -0.000 0.000 0.197 291 E C 1.504 178.109 176.600 0.008 0.000 0.997 291 E CA 1.687 58.093 56.400 0.010 0.000 0.810 291 E CB -0.494 29.211 29.700 0.008 0.000 0.738 291 E HN 0.739 nan 8.360 nan 0.000 0.467 292 A N -0.294 122.529 122.820 0.005 0.000 2.261 292 A HA 0.476 4.795 4.320 -0.000 0.000 0.208 292 A C 1.204 178.788 177.584 0.001 0.000 1.223 292 A CA 1.229 53.268 52.037 0.003 0.000 0.833 292 A CB -0.633 18.367 19.000 0.001 0.000 0.830 292 A HN 0.752 nan 8.150 nan 0.000 0.483 293 E N 1.628 121.829 120.200 0.003 0.000 2.216 293 E HA 0.535 4.885 4.350 -0.000 0.000 0.260 293 E C -2.974 173.632 176.600 0.010 0.000 0.880 293 E CA -2.494 53.906 56.400 0.000 0.000 0.765 293 E CB 0.569 30.262 29.700 -0.011 0.000 1.174 293 E HN 0.277 nan 8.360 nan 0.000 0.417 294 P HA -0.046 nan 4.420 nan 0.000 0.261 294 P C 0.350 177.667 177.300 0.028 0.000 1.165 294 P CA 0.370 63.479 63.100 0.016 0.000 0.759 294 P CB 0.373 32.080 31.700 0.012 0.000 0.772 295 T N 1.700 116.275 114.554 0.035 0.000 2.715 295 T HA 0.378 4.727 4.350 -0.000 0.000 0.320 295 T C 0.484 175.219 174.700 0.057 0.000 1.046 295 T CA -0.139 61.993 62.100 0.054 0.000 0.983 295 T CB 0.219 69.116 68.868 0.048 0.000 1.183 295 T HN 0.546 nan 8.240 nan 0.000 0.522 296 T N 0.612 115.210 114.554 0.074 0.000 2.827 296 T HA 0.378 4.728 4.350 -0.000 0.000 0.328 296 T C -1.706 173.032 174.700 0.064 0.000 1.598 296 T CA -0.760 61.375 62.100 0.059 0.000 1.043 296 T CB 1.308 70.213 68.868 0.061 0.000 1.447 296 T HN 0.595 nan 8.240 nan 0.000 0.491 297 N N 2.017 120.728 118.700 0.018 0.000 2.352 297 N HA 0.528 5.268 4.740 -0.000 0.000 0.291 297 N C -1.297 174.173 175.510 -0.067 0.000 1.040 297 N CA -0.553 52.496 53.050 -0.001 0.000 0.864 297 N CB 1.679 40.167 38.487 0.002 0.000 1.440 297 N HN 0.381 nan 8.380 nan 0.000 0.483 298 I N 1.315 121.808 120.570 -0.127 0.000 2.530 298 I HA 0.338 4.508 4.170 -0.000 0.000 0.297 298 I C 0.250 176.277 176.117 -0.150 0.000 1.011 298 I CA -0.542 60.633 61.300 -0.208 0.000 1.107 298 I CB 1.803 39.528 38.000 -0.458 0.000 1.285 298 I HN 0.422 nan 8.210 nan 0.000 0.436 299 Q N 4.719 124.453 119.800 -0.111 0.000 2.339 299 Q HA 0.513 4.853 4.340 -0.000 0.000 0.268 299 Q C -1.626 174.341 176.000 -0.056 0.000 1.027 299 Q CA -0.690 55.075 55.803 -0.063 0.000 0.759 299 Q CB 1.719 30.437 28.738 -0.033 0.000 1.244 299 Q HN 0.456 nan 8.270 nan 0.000 0.464 300 I N 3.234 123.782 120.570 -0.037 0.000 2.365 300 I HA 0.286 4.456 4.170 -0.000 0.000 0.291 300 I C 0.016 176.135 176.117 0.002 0.000 1.004 300 I CA -0.276 61.016 61.300 -0.013 0.000 1.311 300 I CB 1.167 39.185 38.000 0.030 0.000 1.401 300 I HN 0.398 nan 8.210 nan 0.000 0.491 301 R N 6.334 126.832 120.500 -0.004 0.000 2.471 301 R HA 0.508 4.848 4.340 -0.000 0.000 0.292 301 R C -1.098 175.193 176.300 -0.017 0.000 1.192 301 R CA -0.466 55.632 56.100 -0.002 0.000 1.257 301 R CB -0.229 30.075 30.300 0.005 0.000 1.130 301 R HN 0.542 nan 8.270 nan 0.000 0.558 302 L N 1.241 122.449 121.223 -0.025 0.000 2.453 302 L HA 0.327 4.667 4.340 -0.000 0.000 0.261 302 L C 1.373 178.215 176.870 -0.048 0.000 1.179 302 L CA -0.201 54.603 54.840 -0.059 0.000 0.813 302 L CB 0.966 42.988 42.059 -0.062 0.000 1.110 302 L HN 0.546 nan 8.230 nan 0.000 0.466 303 A N 0.572 123.353 122.820 -0.066 0.000 2.218 303 A HA -0.084 4.236 4.320 -0.000 0.000 0.209 303 A C 1.733 179.294 177.584 -0.039 0.000 1.168 303 A CA 0.529 52.541 52.037 -0.043 0.000 0.804 303 A CB -0.533 18.444 19.000 -0.040 0.000 0.834 303 A HN 0.939 nan 8.150 nan 0.000 0.482 304 D N -0.288 120.082 120.400 -0.051 0.000 2.280 304 D HA -0.076 4.564 4.640 -0.000 0.000 0.206 304 D C 1.146 177.431 176.300 -0.025 0.000 0.988 304 D CA 1.837 55.812 54.000 -0.041 0.000 0.886 304 D CB -0.397 40.375 40.800 -0.046 0.000 0.914 304 D HN 0.626 nan 8.370 nan 0.000 0.473 305 G N -2.186 106.603 108.800 -0.019 0.000 4.362 305 G HA2 0.269 4.229 3.960 -0.000 0.000 0.220 305 G HA3 0.269 4.229 3.960 -0.000 0.000 0.220 305 G C 0.732 175.629 174.900 -0.006 0.000 0.795 305 G CA 0.106 45.199 45.100 -0.011 0.000 0.920 305 G HN 1.078 nan 8.290 nan 0.000 0.715 306 G N -0.086 108.709 108.800 -0.008 0.000 2.797 306 G HA2 -0.033 3.926 3.960 -0.000 0.000 0.192 306 G HA3 -0.033 3.926 3.960 -0.000 0.000 0.192 306 G C -0.324 174.575 174.900 -0.000 0.000 1.101 306 G CA 0.187 45.286 45.100 -0.002 0.000 0.930 306 G HN 0.573 nan 8.290 nan 0.000 0.512 307 R N 0.213 120.710 120.500 -0.004 0.000 2.393 307 R HA 0.774 5.113 4.340 -0.000 0.000 0.310 307 R C 0.237 176.543 176.300 0.010 0.000 0.968 307 R CA -0.869 55.232 56.100 0.002 0.000 0.867 307 R CB 0.791 31.088 30.300 -0.005 0.000 1.124 307 R HN 0.600 nan 8.270 nan 0.000 0.450 308 L N 2.375 123.611 121.223 0.021 0.000 2.406 308 L HA 0.707 5.046 4.340 -0.000 0.000 0.272 308 L C -0.832 176.068 176.870 0.051 0.000 0.980 308 L CA -1.137 53.721 54.840 0.029 0.000 0.831 308 L CB 1.794 43.864 42.059 0.018 0.000 1.253 308 L HN 0.302 nan 8.230 nan 0.000 0.406 309 V N 0.593 120.555 119.914 0.079 0.000 2.735 309 V HA 0.795 4.915 4.120 -0.000 0.000 0.310 309 V C -0.512 175.617 176.094 0.059 0.000 1.061 309 V CA -0.394 61.981 62.300 0.126 0.000 0.913 309 V CB 1.472 33.470 31.823 0.292 0.000 1.005 309 V HN 0.986 nan 8.190 nan 0.000 0.428 310 Q N 2.619 122.438 119.800 0.032 0.000 2.712 310 Q HA 1.063 5.403 4.340 -0.000 0.000 0.267 310 Q C -0.129 175.839 176.000 -0.054 0.000 1.062 310 Q CA -0.175 55.608 55.803 -0.033 0.000 0.888 310 Q CB 0.761 29.493 28.738 -0.009 0.000 1.374 310 Q HN 1.847 nan 8.270 nan 0.000 0.498 311 K N -1.465 118.920 120.400 -0.025 0.000 10.695 311 K HA 0.419 4.739 4.320 -0.000 0.000 1.183 311 K C -0.847 175.914 176.600 0.267 0.000 0.894 311 K CA -0.264 56.051 56.287 0.048 0.000 0.695 311 K CB -1.500 31.004 32.500 0.006 0.000 1.312 311 K HN 1.005 nan 8.250 nan 0.000 0.472 312 F N -1.417 118.447 119.950 -0.143 0.000 2.242 312 F HA 0.296 4.823 4.527 -0.000 0.000 0.318 312 F C -0.079 175.711 175.800 -0.018 0.000 0.981 312 F CA -0.031 57.902 58.000 -0.112 0.000 0.902 312 F CB 0.255 39.181 39.000 -0.123 0.000 4.039 312 F HN 1.125 nan 8.300 nan 0.000 0.172 313 N N -0.690 118.130 118.700 0.201 0.000 2.265 313 N HA 0.524 5.263 4.740 -0.000 0.000 0.300 313 N C 1.018 176.701 175.510 0.288 0.000 1.148 313 N CA 0.334 53.509 53.050 0.208 0.000 0.772 313 N CB 1.443 40.034 38.487 0.173 0.000 1.434 313 N HN 0.935 nan 8.380 nan 0.000 0.481 314 H N 1.003 120.159 119.070 0.142 0.000 1.497 314 H HA -0.230 4.325 4.556 -0.000 0.000 0.099 314 H C 0.528 175.898 175.328 0.070 0.000 1.162 314 H CA 2.480 58.574 56.048 0.076 0.000 1.883 314 H CB -1.011 28.762 29.762 0.019 0.000 2.239 314 H HN 0.462 nan 8.280 nan 0.000 0.955 315 S N 0.612 116.308 115.700 -0.005 0.000 2.707 315 S HA 0.578 5.048 4.470 -0.000 0.000 0.303 315 S C -1.046 173.480 174.600 -0.124 0.000 1.132 315 S CA -0.414 57.776 58.200 -0.016 0.000 1.046 315 S CB 0.813 63.987 63.200 -0.043 0.000 1.004 315 S HN 0.773 nan 8.310 nan 0.000 0.483 316 H N 2.470 121.607 119.070 0.112 0.000 4.010 316 H HA 0.656 5.212 4.556 -0.000 0.000 0.378 316 H C -0.338 175.060 175.328 0.117 0.000 1.639 316 H CA -0.680 55.453 56.048 0.143 0.000 1.137 316 H CB 1.289 31.218 29.762 0.278 0.000 1.373 316 H HN 0.537 nan 8.280 nan 0.000 0.737 317 R N 0.037 120.734 120.500 0.328 0.000 2.867 317 R HA 0.381 4.721 4.340 -0.000 0.000 0.268 317 R C 1.243 177.624 176.300 0.134 0.000 1.014 317 R CA -0.787 55.419 56.100 0.176 0.000 0.946 317 R CB 1.632 32.020 30.300 0.147 0.000 1.208 317 R HN 0.419 nan 8.270 nan 0.000 0.477 318 I N 0.939 121.552 120.570 0.072 0.000 2.315 318 I HA -0.266 3.903 4.170 -0.000 0.000 0.248 318 I C 2.232 178.393 176.117 0.072 0.000 1.117 318 I CA 1.828 63.152 61.300 0.039 0.000 1.404 318 I CB -0.240 37.774 38.000 0.023 0.000 1.071 318 I HN 0.653 nan 8.210 nan 0.000 0.419 319 S N 0.191 115.941 115.700 0.083 0.000 2.399 319 S HA -0.182 4.288 4.470 -0.000 0.000 0.231 319 S C 1.508 176.191 174.600 0.138 0.000 1.022 319 S CA 1.183 59.437 58.200 0.090 0.000 0.983 319 S CB -0.461 62.779 63.200 0.068 0.000 0.803 319 S HN 0.381 nan 8.310 nan 0.000 0.480 320 D N 1.714 122.221 120.400 0.178 0.000 2.219 320 D HA 0.076 4.716 4.640 -0.000 0.000 0.205 320 D C 1.793 178.298 176.300 0.342 0.000 0.970 320 D CA 0.757 54.900 54.000 0.237 0.000 0.851 320 D CB -0.290 40.678 40.800 0.279 0.000 0.943 320 D HN 0.465 nan 8.370 nan 0.000 0.488 321 I N 0.311 121.041 120.570 0.267 0.000 2.286 321 I HA -0.158 4.012 4.170 -0.000 0.000 0.245 321 I C 2.503 178.786 176.117 0.277 0.000 1.104 321 I CA 0.532 61.962 61.300 0.217 0.000 1.397 321 I CB -0.064 37.895 38.000 -0.068 0.000 1.072 321 I HN -0.132 nan 8.210 nan 0.000 0.417 322 R N 1.011 121.646 120.500 0.225 0.000 2.152 322 R HA -0.120 4.220 4.340 -0.000 0.000 0.232 322 R C 2.148 178.601 176.300 0.255 0.000 1.117 322 R CA 1.117 57.379 56.100 0.269 0.000 0.981 322 R CB 0.038 30.444 30.300 0.177 0.000 0.870 322 R HN 0.299 nan 8.270 nan 0.000 0.451 323 L N -0.377 120.980 121.223 0.224 0.000 2.131 323 L HA -0.092 4.248 4.340 -0.000 0.000 0.206 323 L C 2.033 179.019 176.870 0.194 0.000 1.087 323 L CA 1.115 56.062 54.840 0.177 0.000 0.767 323 L CB -0.616 41.529 42.059 0.143 0.000 0.917 323 L HN 0.255 nan 8.230 nan 0.000 0.441 324 F N 0.953 120.982 119.950 0.132 0.000 2.146 324 F HA -0.221 4.306 4.527 0.000 0.000 0.298 324 F C 2.401 178.252 175.800 0.086 0.000 1.096 324 F CA 1.273 59.345 58.000 0.120 0.000 1.275 324 F CB 0.055 39.200 39.000 0.242 0.000 1.008 324 F HN -0.095 nan 8.300 nan 0.000 0.480 325 I N 0.125 120.841 120.570 0.243 0.000 2.163 325 I HA -0.252 3.918 4.170 -0.000 0.000 0.243 325 I C 2.441 178.531 176.117 -0.045 0.000 1.085 325 I CA 1.316 62.663 61.300 0.078 0.000 1.347 325 I CB -1.609 36.440 38.000 0.082 0.000 1.044 325 I HN 0.060 nan 8.210 nan 0.000 0.408 326 V N 1.201 121.135 119.914 0.033 0.000 2.307 326 V HA -0.249 3.871 4.120 -0.000 0.000 0.245 326 V C 2.159 178.214 176.094 -0.065 0.000 1.045 326 V CA 1.946 64.256 62.300 0.016 0.000 1.024 326 V CB -0.859 31.010 31.823 0.077 0.000 0.651 326 V HN 0.279 nan 8.190 nan 0.000 0.449 327 D N 0.998 121.334 120.400 -0.106 0.000 2.117 327 D HA -0.111 4.529 4.640 -0.000 0.000 0.197 327 D C 2.143 178.286 176.300 -0.262 0.000 0.987 327 D CA 1.675 55.577 54.000 -0.164 0.000 0.829 327 D CB -0.438 40.259 40.800 -0.172 0.000 0.961 327 D HN 0.451 nan 8.370 nan 0.000 0.460 328 A N 0.184 122.742 122.820 -0.436 0.000 2.067 328 A HA -0.034 4.286 4.320 -0.000 0.000 0.219 328 A C 0.781 178.234 177.584 -0.218 0.000 1.158 328 A CA 0.675 52.446 52.037 -0.444 0.000 0.661 328 A CB -0.292 18.305 19.000 -0.671 0.000 0.801 328 A HN 0.363 nan 8.150 nan 0.000 0.452 329 R N -3.000 117.404 120.500 -0.160 0.000 2.560 329 R HA 0.392 4.732 4.340 -0.000 0.000 0.267 329 R C -3.169 173.091 176.300 -0.066 0.000 1.150 329 R CA -1.304 54.736 56.100 -0.099 0.000 0.997 329 R CB 0.269 30.515 30.300 -0.091 0.000 1.250 329 R HN -0.154 nan 8.270 nan 0.000 0.433 330 P HA -0.175 nan 4.420 nan 0.000 0.214 330 P C 1.337 178.631 177.300 -0.010 0.000 1.162 330 P CA 2.310 65.395 63.100 -0.024 0.000 0.879 330 P CB 0.116 31.802 31.700 -0.023 0.000 0.786 331 A N -0.731 122.079 122.820 -0.016 0.000 1.896 331 A HA -0.294 4.026 4.320 -0.000 0.000 0.220 331 A C 2.226 179.816 177.584 0.010 0.000 1.206 331 A CA 2.656 54.689 52.037 -0.007 0.000 0.647 331 A CB -1.723 17.266 19.000 -0.017 0.000 0.828 331 A HN 0.097 nan 8.150 nan 0.000 0.455 332 M N -0.258 119.336 119.600 -0.009 0.000 2.358 332 M HA -0.024 4.456 4.480 -0.000 0.000 0.264 332 M C 2.144 178.535 176.300 0.153 0.000 1.064 332 M CA 0.970 56.279 55.300 0.016 0.000 1.093 332 M CB -0.849 31.663 32.600 -0.147 0.000 1.401 332 M HN 0.467 nan 8.290 nan 0.000 0.440 333 A N -0.959 121.921 122.820 0.101 0.000 2.084 333 A HA -0.001 4.318 4.320 -0.000 0.000 0.221 333 A C 2.192 179.837 177.584 0.103 0.000 1.161 333 A CA 1.948 54.051 52.037 0.111 0.000 0.653 333 A CB -0.825 18.208 19.000 0.055 0.000 0.802 333 A HN 0.531 nan 8.150 nan 0.000 0.457 334 A N -2.008 120.867 122.820 0.092 0.000 2.167 334 A HA 0.337 4.657 4.320 -0.000 0.000 0.208 334 A C 1.122 178.759 177.584 0.089 0.000 1.198 334 A CA 0.650 52.728 52.037 0.069 0.000 0.863 334 A CB -0.147 18.879 19.000 0.044 0.000 0.904 334 A HN 0.278 nan 8.150 nan 0.000 0.484 335 T N 1.132 115.769 114.554 0.140 0.000 2.884 335 T HA 0.333 4.683 4.350 -0.000 0.000 0.298 335 T C 0.258 175.118 174.700 0.268 0.000 0.998 335 T CA 0.267 62.473 62.100 0.176 0.000 1.124 335 T CB 1.065 70.034 68.868 0.169 0.000 0.931 335 T HN 0.197 nan 8.240 nan 0.000 0.531 336 S N 2.314 118.110 115.700 0.159 0.000 2.537 336 S HA 0.744 5.214 4.470 -0.000 0.000 0.275 336 S C -0.700 174.011 174.600 0.184 0.000 1.272 336 S CA -0.755 57.475 58.200 0.051 0.000 1.050 336 S CB -0.273 62.924 63.200 -0.005 0.000 0.961 336 S HN 0.554 nan 8.310 nan 0.000 0.496 337 F N 1.630 121.583 119.950 0.005 0.000 2.877 337 F HA 0.825 5.351 4.527 -0.000 0.000 0.319 337 F C -1.459 174.344 175.800 0.004 0.000 1.174 337 F CA -1.126 56.877 58.000 0.004 0.000 0.903 337 F CB 0.702 39.706 39.000 0.007 0.000 1.357 337 F HN 0.338 nan 8.300 nan 0.000 0.472 338 V N 1.045 121.106 119.914 0.245 0.000 3.181 338 V HA 0.615 4.735 4.120 -0.000 0.000 0.308 338 V C -0.793 175.420 176.094 0.199 0.000 1.214 338 V CA -1.047 61.325 62.300 0.120 0.000 1.053 338 V CB 2.281 34.128 31.823 0.040 0.000 1.069 338 V HN 0.815 nan 8.190 nan 0.000 0.441 339 L N 1.422 122.714 121.223 0.115 0.000 2.313 339 L HA 0.815 5.154 4.340 -0.000 0.000 0.268 339 L C -0.509 176.386 176.870 0.041 0.000 1.010 339 L CA -0.406 54.489 54.840 0.092 0.000 0.814 339 L CB 1.923 44.032 42.059 0.083 0.000 1.304 339 L HN 0.558 nan 8.230 nan 0.000 0.441 340 M N -0.241 119.374 119.600 0.024 0.000 3.008 340 M HA 0.447 4.927 4.480 -0.000 0.000 0.271 340 M C -1.313 174.987 176.300 0.000 0.000 1.265 340 M CA -0.602 54.701 55.300 0.005 0.000 0.817 340 M CB 2.801 35.398 32.600 -0.005 0.000 1.638 340 M HN 0.595 nan 8.290 nan 0.000 0.479 341 T N -1.304 113.248 114.554 -0.003 0.000 2.876 341 T HA 0.771 5.121 4.350 -0.000 0.000 0.289 341 T C -0.402 174.299 174.700 0.001 0.000 1.014 341 T CA -0.847 61.259 62.100 0.011 0.000 0.986 341 T CB 1.531 70.409 68.868 0.016 0.000 1.021 341 T HN 0.755 nan 8.240 nan 0.000 0.458 342 T N -0.738 113.838 114.554 0.035 0.000 2.934 342 T HA 0.618 4.968 4.350 -0.000 0.000 0.283 342 T C 0.058 174.798 174.700 0.067 0.000 1.005 342 T CA -0.751 61.320 62.100 -0.049 0.000 1.041 342 T CB 0.233 69.076 68.868 -0.042 0.000 1.042 342 T HN 0.779 nan 8.240 nan 0.000 0.505 343 F N -0.565 119.383 119.950 -0.003 0.000 2.482 343 F HA -0.094 4.433 4.527 -0.000 0.000 0.321 343 F C -1.963 173.836 175.800 -0.003 0.000 0.626 343 F CA 0.438 58.437 58.000 -0.003 0.000 1.642 343 F CB -2.411 36.587 39.000 -0.004 0.000 2.098 343 F HN 0.668 nan 8.300 nan 0.000 0.295 344 P HA 0.204 nan 4.420 nan 0.000 0.535 344 P C -0.703 176.576 177.300 -0.035 0.000 1.020 344 P CA 0.191 63.297 63.100 0.010 0.000 2.507 344 P CB 0.518 32.238 31.700 0.034 0.000 1.142 345 N N 1.447 120.105 118.700 -0.070 0.000 2.642 345 N HA -0.121 4.619 4.740 -0.000 0.000 0.269 345 N C -0.859 174.623 175.510 -0.046 0.000 1.073 345 N CA 0.685 53.682 53.050 -0.087 0.000 0.748 345 N CB -0.601 37.811 38.487 -0.125 0.000 0.894 345 N HN 0.103 nan 8.380 nan 0.000 0.548 346 K N 1.196 121.580 120.400 -0.026 0.000 2.248 346 K HA 0.186 4.506 4.320 -0.000 0.000 0.281 346 K C 0.293 176.885 176.600 -0.013 0.000 1.054 346 K CA -0.409 55.869 56.287 -0.015 0.000 0.903 346 K CB 1.151 33.647 32.500 -0.006 0.000 1.077 346 K HN 0.359 nan 8.250 nan 0.000 0.474 347 E N 3.634 123.827 120.200 -0.011 0.000 2.166 347 E HA 0.033 4.383 4.350 -0.000 0.000 0.279 347 E C -0.381 176.217 176.600 -0.003 0.000 1.095 347 E CA -0.222 56.174 56.400 -0.006 0.000 0.888 347 E CB 0.201 29.897 29.700 -0.007 0.000 1.041 347 E HN 0.403 nan 8.360 nan 0.000 0.414 348 L N 4.724 125.948 121.223 0.002 0.000 2.652 348 L HA 0.057 4.397 4.340 -0.000 0.000 0.284 348 L C 0.494 177.364 176.870 0.000 0.000 1.204 348 L CA -0.251 54.591 54.840 0.002 0.000 1.105 348 L CB -0.766 41.298 42.059 0.007 0.000 1.393 348 L HN 0.563 nan 8.230 nan 0.000 0.452 349 A N 2.320 125.137 122.820 -0.004 0.000 2.239 349 A HA 0.360 4.680 4.320 -0.000 0.000 0.303 349 A C 0.515 178.096 177.584 -0.005 0.000 1.114 349 A CA -0.375 51.657 52.037 -0.008 0.000 0.871 349 A CB 0.520 19.514 19.000 -0.009 0.000 1.201 349 A HN 0.704 nan 8.150 nan 0.000 0.506 350 D N -1.048 119.348 120.400 -0.007 0.000 2.956 350 D HA -0.136 4.504 4.640 -0.000 0.000 0.240 350 D C 0.713 177.014 176.300 0.002 0.000 1.141 350 D CA 0.983 54.981 54.000 -0.003 0.000 0.820 350 D CB -0.690 40.110 40.800 0.000 0.000 0.988 350 D HN 0.634 nan 8.370 nan 0.000 0.417 351 E N 1.157 121.356 120.200 -0.001 0.000 2.169 351 E HA -0.245 4.104 4.350 -0.000 0.000 0.202 351 E C 1.664 178.278 176.600 0.022 0.000 1.016 351 E CA 1.823 58.227 56.400 0.007 0.000 0.817 351 E CB -0.157 29.542 29.700 -0.003 0.000 0.736 351 E HN 0.561 nan 8.360 nan 0.000 0.462 352 N N 0.829 119.542 118.700 0.021 0.000 2.084 352 N HA -0.184 4.556 4.740 -0.000 0.000 0.190 352 N C 0.110 175.640 175.510 0.033 0.000 1.030 352 N CA 0.647 53.715 53.050 0.031 0.000 0.849 352 N CB -0.262 38.239 38.487 0.023 0.000 1.012 352 N HN 0.312 nan 8.380 nan 0.000 0.423 353 Q N 0.875 120.689 119.800 0.022 0.000 3.089 353 Q HA -0.157 4.183 4.340 -0.000 0.000 0.398 353 Q C -0.442 175.576 176.000 0.029 0.000 1.125 353 Q CA 0.700 56.515 55.803 0.020 0.000 1.180 353 Q CB 0.196 28.942 28.738 0.012 0.000 1.134 353 Q HN 0.216 nan 8.270 nan 0.000 0.478 354 T N 3.289 117.859 114.554 0.027 0.000 2.910 354 T HA 0.215 4.565 4.350 -0.000 0.000 0.293 354 T C 1.575 176.291 174.700 0.027 0.000 1.015 354 T CA -0.544 61.578 62.100 0.036 0.000 1.094 354 T CB 0.465 69.349 68.868 0.026 0.000 0.968 354 T HN 0.635 nan 8.240 nan 0.000 0.521 355 L N 2.699 123.943 121.223 0.036 0.000 2.089 355 L HA -0.149 4.191 4.340 -0.000 0.000 0.213 355 L C 2.643 179.518 176.870 0.009 0.000 1.079 355 L CA 1.607 56.456 54.840 0.015 0.000 0.758 355 L CB -0.624 41.450 42.059 0.025 0.000 0.891 355 L HN 0.600 nan 8.230 nan 0.000 0.433 356 K N 0.901 121.309 120.400 0.014 0.000 2.026 356 K HA -0.195 4.125 4.320 -0.000 0.000 0.208 356 K C 2.157 178.761 176.600 0.006 0.000 1.048 356 K CA 2.107 58.399 56.287 0.009 0.000 0.929 356 K CB -0.376 32.129 32.500 0.008 0.000 0.713 356 K HN 0.335 nan 8.250 nan 0.000 0.439 357 E N -0.196 120.008 120.200 0.007 0.000 2.208 357 E HA 0.044 4.394 4.350 -0.000 0.000 0.193 357 E C 1.767 178.369 176.600 0.003 0.000 0.988 357 E CA 1.256 57.659 56.400 0.005 0.000 0.828 357 E CB -0.656 29.048 29.700 0.006 0.000 0.763 357 E HN 0.525 nan 8.360 nan 0.000 0.478 358 A N -0.417 122.404 122.820 0.002 0.000 2.275 358 A HA 0.314 4.634 4.320 -0.000 0.000 0.212 358 A C 1.295 178.878 177.584 -0.003 0.000 1.201 358 A CA 0.889 52.925 52.037 -0.001 0.000 0.843 358 A CB -0.144 18.854 19.000 -0.004 0.000 0.873 358 A HN 0.401 nan 8.150 nan 0.000 0.492 359 N N -1.947 116.752 118.700 -0.002 0.000 2.936 359 N HA -0.149 4.591 4.740 -0.000 0.000 0.236 359 N C -0.071 175.434 175.510 -0.008 0.000 0.930 359 N CA 0.978 54.027 53.050 -0.002 0.000 0.966 359 N CB -1.875 36.613 38.487 0.001 0.000 1.090 359 N HN 0.447 nan 8.380 nan 0.000 0.592 360 L N 0.985 122.199 121.223 -0.015 0.000 2.869 360 L HA 0.086 4.426 4.340 -0.000 0.000 0.240 360 L C 0.121 176.970 176.870 -0.035 0.000 1.448 360 L CA 0.398 55.220 54.840 -0.031 0.000 1.158 360 L CB -0.572 41.459 42.059 -0.046 0.000 1.497 360 L HN 0.123 nan 8.230 nan 0.000 0.447 361 L N 1.232 122.442 121.223 -0.022 0.000 2.295 361 L HA 0.281 4.620 4.340 -0.000 0.000 0.281 361 L C 0.649 177.508 176.870 -0.019 0.000 1.018 361 L CA -0.373 54.457 54.840 -0.016 0.000 0.841 361 L CB 0.944 43.001 42.059 -0.004 0.000 1.218 361 L HN 0.429 nan 8.230 nan 0.000 0.424 362 N N 1.408 120.091 118.700 -0.027 0.000 2.828 362 N HA -0.190 4.550 4.740 -0.000 0.000 0.248 362 N C -0.069 175.423 175.510 -0.029 0.000 1.044 362 N CA 0.917 53.952 53.050 -0.025 0.000 0.851 362 N CB -0.111 38.369 38.487 -0.011 0.000 1.136 362 N HN 0.762 nan 8.380 nan 0.000 0.572 363 A N -0.155 122.643 122.820 -0.036 0.000 2.306 363 A HA 0.632 4.952 4.320 -0.000 0.000 0.314 363 A C 0.443 178.004 177.584 -0.038 0.000 1.164 363 A CA -0.439 51.581 52.037 -0.028 0.000 0.822 363 A CB 1.027 20.017 19.000 -0.017 0.000 1.130 363 A HN 0.086 nan 8.150 nan 0.000 0.496 364 V N 2.901 122.804 119.914 -0.019 0.000 2.599 364 V HA 0.065 4.185 4.120 -0.000 0.000 0.300 364 V C 0.123 176.206 176.094 -0.018 0.000 1.034 364 V CA 0.782 63.072 62.300 -0.018 0.000 1.115 364 V CB 0.117 31.945 31.823 0.008 0.000 0.934 364 V HN 0.594 nan 8.190 nan 0.000 0.485 365 I N 5.466 126.015 120.570 -0.034 0.000 2.382 365 I HA 0.360 4.530 4.170 -0.000 0.000 0.286 365 I C -0.210 175.901 176.117 -0.010 0.000 1.002 365 I CA -0.549 60.734 61.300 -0.028 0.000 1.135 365 I CB 1.739 39.703 38.000 -0.059 0.000 1.288 365 I HN 0.288 nan 8.210 nan 0.000 0.448 366 V N 6.134 126.050 119.914 0.003 0.000 2.644 366 V HA 0.241 4.361 4.120 -0.000 0.000 0.295 366 V C 0.106 176.211 176.094 0.018 0.000 1.053 366 V CA -0.421 61.883 62.300 0.007 0.000 0.987 366 V CB 1.626 33.453 31.823 0.006 0.000 1.006 366 V HN 0.723 nan 8.190 nan 0.000 0.472 367 Q N 4.346 124.150 119.800 0.007 0.000 2.316 367 Q HA 0.559 4.899 4.340 -0.000 0.000 0.264 367 Q C -0.752 175.260 176.000 0.021 0.000 0.987 367 Q CA -0.766 55.046 55.803 0.016 0.000 0.852 367 Q CB 1.554 30.244 28.738 -0.080 0.000 1.287 367 Q HN 0.741 nan 8.270 nan 0.000 0.448 368 R N 4.952 125.499 120.500 0.079 0.000 2.502 368 R HA 0.401 4.741 4.340 -0.000 0.000 0.300 368 R C -1.208 175.171 176.300 0.132 0.000 0.984 368 R CA -0.520 55.621 56.100 0.069 0.000 0.882 368 R CB 1.010 31.339 30.300 0.048 0.000 1.180 368 R HN 0.650 nan 8.270 nan 0.000 0.444 369 L N 4.664 125.947 121.223 0.101 0.000 2.360 369 L HA 0.218 4.558 4.340 -0.000 0.000 0.276 369 L C 1.079 178.007 176.870 0.097 0.000 1.121 369 L CA -0.365 54.559 54.840 0.140 0.000 0.845 369 L CB 1.114 43.223 42.059 0.084 0.000 1.143 369 L HN 0.807 nan 8.230 nan 0.000 0.452 370 T N 0.000 114.614 114.554 0.100 0.000 3.816 370 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 370 T CA 0.000 62.131 62.100 0.051 0.000 1.349 370 T CB 0.000 68.885 68.868 0.029 0.000 0.612 370 T HN 0.000 nan 8.240 nan 0.000 0.658