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 2x1t_1_A DATA FIRST_RESID 2 DATA SEQUENCE SKPQPIAAAN WKXXXXXXSL SELIDLFNST SINHDVQCVV ASTFVHLAMT DATA SEQUENCE KERLSHPKFV IAAQNAGNAD AXXXXXXXLA SLKDFGVNWI VLGHSERRWY DATA SEQUENCE YGETNEIVAD KVAAAVASGF MVIACIGETL QERESGRTAV VVLTQIAAIA DATA SEQUENCE KKLKKADWAK VVIAYEPVWA IGTGKVATPQ QAQEAHALIR SWVSSKIGAD DATA SEQUENCE VAGELRILYG GSVNGKNART LYQQRDVNGF LAGXXXLKPE FVDIIKATQ 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.616 174.600 0.027 0.000 1.055 2 S CA 0.000 58.213 58.200 0.022 0.000 1.107 2 S CB 0.000 63.218 63.200 0.031 0.000 0.593 3 K N 1.718 122.138 120.400 0.033 0.000 2.355 3 K HA 0.412 4.686 4.320 -0.077 0.000 0.270 3 K C -1.955 174.686 176.600 0.069 0.000 1.003 3 K CA -1.156 55.157 56.287 0.042 0.000 0.957 3 K CB 0.025 32.550 32.500 0.041 0.000 0.939 3 K HN 0.479 nan 8.250 nan 0.000 0.482 4 P HA -0.045 nan 4.420 nan 0.000 0.277 4 P C -0.945 176.424 177.300 0.115 0.000 1.276 4 P CA -0.488 62.666 63.100 0.089 0.000 0.788 4 P CB 0.428 32.182 31.700 0.090 0.000 1.114 5 Q N 1.073 120.940 119.800 0.112 0.000 2.263 5 Q HA 0.078 4.372 4.340 -0.077 0.000 0.289 5 Q C -1.902 174.183 176.000 0.141 0.000 1.061 5 Q CA -1.227 54.646 55.803 0.118 0.000 0.927 5 Q CB 0.069 28.867 28.738 0.099 0.000 1.154 5 Q HN 0.243 nan 8.270 nan 0.000 0.378 6 P HA 0.206 nan 4.420 nan 0.000 0.276 6 P C -0.726 176.641 177.300 0.112 0.000 1.252 6 P CA 0.005 63.219 63.100 0.190 0.000 0.802 6 P CB 0.882 32.718 31.700 0.227 0.000 1.035 7 I N 0.378 121.022 120.570 0.123 0.000 2.465 7 I HA 0.498 4.622 4.170 -0.077 0.000 0.291 7 I C -0.155 176.017 176.117 0.092 0.000 1.014 7 I CA -0.989 60.354 61.300 0.071 0.000 1.093 7 I CB 2.090 40.167 38.000 0.127 0.000 1.267 7 I HN 0.289 nan 8.210 nan 0.000 0.431 8 A N 5.227 128.058 122.820 0.018 0.000 2.285 8 A HA 0.876 5.150 4.320 -0.077 0.000 0.310 8 A C -0.499 177.238 177.584 0.255 0.000 1.266 8 A CA -0.435 51.677 52.037 0.124 0.000 0.832 8 A CB 0.850 19.749 19.000 -0.167 0.000 1.163 8 A HN 0.761 nan 8.150 nan 0.000 0.499 9 A N 1.927 124.948 122.820 0.336 0.000 2.355 9 A HA 0.850 5.124 4.320 -0.077 0.000 0.317 9 A C -0.009 177.591 177.584 0.026 0.000 1.094 9 A CA 0.006 52.137 52.037 0.155 0.000 0.764 9 A CB 1.240 20.301 19.000 0.102 0.000 1.230 9 A HN 2.063 nan 8.150 nan 0.000 0.448 10 A N 2.042 124.653 122.820 -0.349 0.000 2.318 10 A HA 0.674 4.948 4.320 -0.077 0.000 0.324 10 A C -0.467 177.020 177.584 -0.161 0.000 1.170 10 A CA -0.626 51.109 52.037 -0.504 0.000 0.810 10 A CB 0.546 18.863 19.000 -1.140 0.000 1.198 10 A HN 0.841 nan 8.150 nan 0.000 0.484 11 N N 2.192 120.844 118.700 -0.080 0.000 2.476 11 N HA 0.206 4.900 4.740 -0.077 0.000 0.257 11 N C -0.552 174.962 175.510 0.006 0.000 0.970 11 N CA -0.428 52.596 53.050 -0.043 0.000 0.938 11 N CB 0.581 38.982 38.487 -0.142 0.000 1.144 11 N HN 0.766 nan 8.380 nan 0.000 0.500 12 W N 5.354 126.593 121.300 -0.100 0.000 2.181 12 W HA 0.172 4.785 4.660 -0.079 0.000 0.335 12 W C -0.259 176.220 176.519 -0.067 0.000 1.310 12 W CA 0.128 57.435 57.345 -0.063 0.000 1.226 12 W CB 0.579 30.030 29.460 -0.015 0.000 1.155 12 W HN 0.572 nan 8.180 nan 0.000 0.565 21 L N 3.652 124.812 121.223 -0.105 0.000 2.042 21 L HA -0.043 4.251 4.340 -0.077 0.000 0.210 21 L C 2.053 178.777 176.870 -0.243 0.000 1.076 21 L CA 2.461 57.153 54.840 -0.246 0.000 0.749 21 L CB -1.054 40.680 42.059 -0.541 0.000 0.893 21 L HN 0.781 nan 8.230 nan 0.000 0.432 22 S N -0.009 115.575 115.700 -0.194 0.000 2.370 22 S HA -0.228 4.196 4.470 -0.077 0.000 0.226 22 S C 1.649 176.147 174.600 -0.171 0.000 1.033 22 S CA 1.662 59.762 58.200 -0.167 0.000 1.011 22 S CB -0.197 62.931 63.200 -0.119 0.000 0.852 22 S HN 0.519 nan 8.310 nan 0.000 0.457 23 E N 0.719 120.828 120.200 -0.151 0.000 2.150 23 E HA -0.041 4.263 4.350 -0.077 0.000 0.193 23 E C 1.996 178.460 176.600 -0.228 0.000 0.985 23 E CA 0.729 57.041 56.400 -0.146 0.000 0.814 23 E CB -0.229 29.411 29.700 -0.100 0.000 0.752 23 E HN 0.433 nan 8.360 nan 0.000 0.466 24 L N 0.609 121.645 121.223 -0.312 0.000 2.109 24 L HA -0.132 4.162 4.340 -0.077 0.000 0.207 24 L C 2.405 178.719 176.870 -0.928 0.000 1.086 24 L CA 0.762 55.243 54.840 -0.597 0.000 0.760 24 L CB -0.297 41.432 42.059 -0.551 0.000 0.910 24 L HN 0.158 nan 8.230 nan 0.000 0.437 25 I N -0.039 120.193 120.570 -0.564 0.000 2.226 25 I HA -0.284 3.840 4.170 -0.077 0.000 0.245 25 I C 2.093 178.055 176.117 -0.258 0.000 1.100 25 I CA 1.199 62.264 61.300 -0.393 0.000 1.374 25 I CB -0.398 37.465 38.000 -0.228 0.000 1.057 25 I HN 0.268 nan 8.210 nan 0.000 0.413 26 D N 0.846 121.121 120.400 -0.209 0.000 2.104 26 D HA -0.191 4.403 4.640 -0.077 0.000 0.194 26 D C 2.000 178.246 176.300 -0.089 0.000 0.994 26 D CA 1.097 55.024 54.000 -0.121 0.000 0.830 26 D CB -0.447 40.293 40.800 -0.100 0.000 0.959 26 D HN 0.163 nan 8.370 nan 0.000 0.452 27 L N 0.307 121.446 121.223 -0.140 0.000 2.013 27 L HA -0.203 4.091 4.340 -0.077 0.000 0.212 27 L C 2.061 179.001 176.870 0.117 0.000 1.073 27 L CA 1.644 56.459 54.840 -0.042 0.000 0.753 27 L CB -0.698 41.306 42.059 -0.091 0.000 0.890 27 L HN -0.115 nan 8.230 nan 0.000 0.432 28 F N 0.362 120.280 119.950 -0.053 0.000 2.069 28 F HA -0.201 4.280 4.527 -0.076 0.000 0.298 28 F C 2.512 178.249 175.800 -0.106 0.000 1.113 28 F CA 1.255 59.173 58.000 -0.137 0.000 1.214 28 F CB -1.763 36.991 39.000 -0.410 0.000 0.978 28 F HN 0.246 nan 8.300 nan 0.000 0.474 29 N N 0.236 118.983 118.700 0.078 0.000 2.137 29 N HA -0.171 4.523 4.740 -0.077 0.000 0.190 29 N C 1.947 177.527 175.510 0.117 0.000 1.017 29 N CA 1.703 54.800 53.050 0.079 0.000 0.859 29 N CB -0.729 37.751 38.487 -0.011 0.000 1.002 29 N HN 0.351 nan 8.380 nan 0.000 0.428 30 S N -1.226 114.533 115.700 0.097 0.000 2.562 30 S HA 0.059 4.483 4.470 -0.077 0.000 0.221 30 S C 0.609 175.282 174.600 0.123 0.000 0.975 30 S CA -0.090 58.157 58.200 0.078 0.000 0.918 30 S CB -0.246 62.981 63.200 0.046 0.000 0.772 30 S HN 0.015 nan 8.310 nan 0.000 0.531 31 T N 3.236 117.913 114.554 0.205 0.000 2.729 31 T HA 0.335 4.639 4.350 -0.077 0.000 0.296 31 T C -0.243 174.614 174.700 0.261 0.000 0.928 31 T CA -0.192 62.029 62.100 0.202 0.000 1.045 31 T CB 1.056 70.041 68.868 0.196 0.000 0.902 31 T HN 0.215 nan 8.240 nan 0.000 0.500 32 S N 3.853 119.652 115.700 0.165 0.000 2.455 32 S HA 0.301 4.725 4.470 -0.077 0.000 0.278 32 S C 0.298 174.981 174.600 0.138 0.000 1.216 32 S CA -0.498 57.794 58.200 0.152 0.000 1.055 32 S CB -0.132 63.118 63.200 0.083 0.000 0.939 32 S HN 0.516 nan 8.310 nan 0.000 0.494 33 I N 3.868 124.535 120.570 0.160 0.000 2.354 33 I HA 0.256 4.380 4.170 -0.077 0.000 0.286 33 I C 0.687 176.826 176.117 0.036 0.000 1.007 33 I CA -0.317 61.016 61.300 0.054 0.000 1.167 33 I CB 1.082 39.048 38.000 -0.056 0.000 1.320 33 I HN 0.647 nan 8.210 nan 0.000 0.458 34 N N 3.970 122.719 118.700 0.083 0.000 2.353 34 N HA -0.002 4.692 4.740 -0.077 0.000 0.185 34 N C 0.288 175.866 175.510 0.113 0.000 1.098 34 N CA 0.101 53.205 53.050 0.090 0.000 0.872 34 N CB 0.240 38.782 38.487 0.091 0.000 0.970 34 N HN 0.612 nan 8.380 nan 0.000 0.467 35 H N -1.073 117.987 119.070 -0.016 0.000 2.824 35 H HA 0.315 4.825 4.556 -0.077 0.000 0.345 35 H C -1.258 174.056 175.328 -0.024 0.000 1.252 35 H CA -0.732 55.303 56.048 -0.021 0.000 1.246 35 H CB 0.635 30.373 29.762 -0.040 0.000 1.908 35 H HN -0.217 nan 8.280 nan 0.000 0.601 36 D N 0.815 121.203 120.400 -0.020 0.000 2.365 36 D HA 0.336 4.930 4.640 -0.077 0.000 0.237 36 D C -1.048 175.177 176.300 -0.126 0.000 1.190 36 D CA -0.154 53.800 54.000 -0.075 0.000 0.867 36 D CB 0.035 40.850 40.800 0.025 0.000 1.050 36 D HN 0.432 nan 8.370 nan 0.000 0.491 37 V N 3.821 123.576 119.914 -0.265 0.000 2.817 37 V HA 0.347 4.421 4.120 -0.077 0.000 0.303 37 V C -1.488 174.468 176.094 -0.231 0.000 1.151 37 V CA -0.808 61.357 62.300 -0.224 0.000 0.929 37 V CB 2.074 33.697 31.823 -0.332 0.000 1.030 37 V HN 0.489 nan 8.190 nan 0.000 0.427 38 Q N 5.082 124.788 119.800 -0.155 0.000 2.295 38 Q HA 0.497 4.792 4.340 -0.077 0.000 0.259 38 Q C -0.777 175.011 176.000 -0.353 0.000 0.976 38 Q CA 0.128 55.801 55.803 -0.216 0.000 0.923 38 Q CB 0.759 29.434 28.738 -0.105 0.000 1.185 38 Q HN 0.899 nan 8.270 nan 0.000 0.410 39 C N 3.347 122.315 119.300 -0.554 0.000 2.366 39 C HA 0.851 5.265 4.460 -0.077 0.000 0.345 39 C C -0.548 174.062 174.990 -0.635 0.000 1.209 39 C CA -0.767 57.796 59.018 -0.758 0.000 2.050 39 C CB 0.937 27.657 27.740 -1.700 0.000 2.359 39 C HN 0.677 nan 8.230 nan 0.000 0.527 40 V N 2.772 122.449 119.914 -0.395 0.000 2.733 40 V HA 0.490 4.564 4.120 -0.077 0.000 0.306 40 V C -0.713 175.327 176.094 -0.090 0.000 1.084 40 V CA -0.457 61.666 62.300 -0.295 0.000 0.905 40 V CB 1.878 33.479 31.823 -0.369 0.000 1.010 40 V HN 0.650 nan 8.190 nan 0.000 0.424 41 V N 3.749 123.674 119.914 0.018 0.000 2.350 41 V HA 0.754 4.828 4.120 -0.077 0.000 0.285 41 V C 0.369 176.490 176.094 0.045 0.000 1.014 41 V CA -0.398 61.932 62.300 0.050 0.000 0.831 41 V CB 1.626 33.544 31.823 0.158 0.000 1.000 41 V HN 1.017 nan 8.190 nan 0.000 0.433 42 A N 3.967 126.814 122.820 0.045 0.000 2.276 42 A HA 0.803 5.077 4.320 -0.077 0.000 0.316 42 A C 0.024 177.676 177.584 0.113 0.000 1.229 42 A CA -0.299 51.786 52.037 0.081 0.000 0.851 42 A CB 1.278 20.322 19.000 0.073 0.000 1.165 42 A HN 0.738 nan 8.150 nan 0.000 0.513 43 S N 1.464 117.222 115.700 0.095 0.000 2.513 43 S HA 0.680 5.104 4.470 -0.077 0.000 0.299 43 S C 0.357 175.026 174.600 0.116 0.000 1.087 43 S CA -0.004 58.239 58.200 0.071 0.000 1.012 43 S CB 0.907 64.084 63.200 -0.038 0.000 1.044 43 S HN 1.194 nan 8.310 nan 0.000 0.485 44 T N 2.309 116.983 114.554 0.200 0.000 2.856 44 T HA 0.201 4.505 4.350 -0.077 0.000 0.306 44 T C 1.087 175.829 174.700 0.071 0.000 1.062 44 T CA -0.299 61.900 62.100 0.165 0.000 1.083 44 T CB 0.046 69.054 68.868 0.233 0.000 0.984 44 T HN 0.595 nan 8.240 nan 0.000 0.542 45 F N 2.010 121.919 119.950 -0.068 0.000 2.120 45 F HA -0.165 4.315 4.527 -0.079 0.000 0.300 45 F C 2.339 178.049 175.800 -0.150 0.000 1.095 45 F CA 2.273 60.210 58.000 -0.105 0.000 1.249 45 F CB -0.619 38.314 39.000 -0.111 0.000 0.995 45 F HN 0.484 nan 8.300 nan 0.000 0.480 46 V N -2.734 117.123 119.914 -0.095 0.000 2.759 46 V HA -0.230 3.844 4.120 -0.077 0.000 0.256 46 V C 1.872 177.762 176.094 -0.340 0.000 1.080 46 V CA 2.059 64.214 62.300 -0.243 0.000 1.101 46 V CB -1.121 30.534 31.823 -0.280 0.000 0.698 46 V HN 0.391 nan 8.190 nan 0.000 0.477 47 H N -0.638 118.317 119.070 -0.191 0.000 2.575 47 H HA 0.376 4.886 4.556 -0.077 0.000 0.267 47 H C 2.084 177.262 175.328 -0.249 0.000 0.966 47 H CA 0.296 56.182 56.048 -0.270 0.000 1.165 47 H CB 0.418 29.899 29.762 -0.469 0.000 1.433 47 H HN 0.387 nan 8.280 nan 0.000 0.544 48 L N 0.302 121.420 121.223 -0.174 0.000 1.989 48 L HA -0.193 4.101 4.340 -0.077 0.000 0.211 48 L C 2.701 179.547 176.870 -0.041 0.000 1.071 48 L CA 1.308 56.061 54.840 -0.145 0.000 0.749 48 L CB -0.390 41.486 42.059 -0.305 0.000 0.890 48 L HN 0.234 nan 8.230 nan 0.000 0.431 49 A N -0.576 122.191 122.820 -0.088 0.000 1.883 49 A HA -0.285 3.989 4.320 -0.077 0.000 0.217 49 A C 2.299 179.910 177.584 0.045 0.000 1.186 49 A CA 2.086 54.176 52.037 0.088 0.000 0.624 49 A CB -0.602 18.410 19.000 0.020 0.000 0.822 49 A HN 0.433 nan 8.150 nan 0.000 0.444 50 M N -0.100 119.488 119.600 -0.020 0.000 2.132 50 M HA -0.114 4.320 4.480 -0.077 0.000 0.263 50 M C 1.967 178.230 176.300 -0.061 0.000 1.065 50 M CA 2.500 57.775 55.300 -0.041 0.000 1.122 50 M CB -1.357 31.208 32.600 -0.059 0.000 1.365 50 M HN 0.432 nan 8.290 nan 0.000 0.411 51 T N 1.205 115.713 114.554 -0.077 0.000 2.652 51 T HA -0.154 4.150 4.350 -0.077 0.000 0.267 51 T C 1.916 176.595 174.700 -0.033 0.000 1.039 51 T CA 1.340 63.391 62.100 -0.083 0.000 1.153 51 T CB -0.286 68.525 68.868 -0.096 0.000 0.863 51 T HN 0.255 nan 8.240 nan 0.000 0.428 52 K N 1.326 121.731 120.400 0.008 0.000 2.059 52 K HA -0.193 4.081 4.320 -0.077 0.000 0.212 52 K C 2.362 178.948 176.600 -0.025 0.000 1.050 52 K CA 2.083 58.379 56.287 0.015 0.000 0.927 52 K CB -0.349 32.191 32.500 0.067 0.000 0.714 52 K HN 0.763 nan 8.250 nan 0.000 0.447 53 E N -0.943 119.241 120.200 -0.027 0.000 2.230 53 E HA -0.064 4.241 4.350 -0.077 0.000 0.192 53 E C 1.869 178.441 176.600 -0.046 0.000 0.987 53 E CA 0.351 56.726 56.400 -0.041 0.000 0.841 53 E CB 0.032 29.712 29.700 -0.033 0.000 0.783 53 E HN 0.005 nan 8.360 nan 0.000 0.481 54 R N 0.371 120.838 120.500 -0.054 0.000 2.112 54 R HA 0.183 4.477 4.340 -0.077 0.000 0.216 54 R C 0.611 176.870 176.300 -0.068 0.000 1.080 54 R CA -0.001 56.059 56.100 -0.066 0.000 0.996 54 R CB -0.486 29.762 30.300 -0.087 0.000 0.902 54 R HN 0.234 nan 8.270 nan 0.000 0.449 55 L N 2.050 123.235 121.223 -0.063 0.000 2.361 55 L HA 0.037 4.331 4.340 -0.077 0.000 0.278 55 L C 0.742 177.589 176.870 -0.038 0.000 1.113 55 L CA 0.533 55.334 54.840 -0.065 0.000 0.849 55 L CB 1.147 43.177 42.059 -0.049 0.000 1.155 55 L HN 0.102 nan 8.230 nan 0.000 0.452 56 S N 2.043 117.722 115.700 -0.036 0.000 2.733 56 S HA 0.138 4.562 4.470 -0.077 0.000 0.247 56 S C 0.587 175.200 174.600 0.023 0.000 1.043 56 S CA -0.286 57.906 58.200 -0.013 0.000 1.066 56 S CB -0.450 62.730 63.200 -0.033 0.000 1.045 56 S HN 0.722 nan 8.310 nan 0.000 0.586 57 H N 4.954 123.982 119.070 -0.069 0.000 3.046 57 H HA 0.197 4.707 4.556 -0.076 0.000 0.303 57 H C -1.769 173.626 175.328 0.113 0.000 1.002 57 H CA -0.691 55.363 56.048 0.009 0.000 1.460 57 H CB 1.425 31.157 29.762 -0.051 0.000 1.493 57 H HN 0.181 nan 8.280 nan 0.000 0.559 58 P HA -0.026 nan 4.420 nan 0.000 0.237 58 P C 0.486 177.933 177.300 0.246 0.000 1.178 58 P CA 0.772 63.976 63.100 0.173 0.000 0.766 58 P CB 0.322 32.055 31.700 0.055 0.000 0.876 59 K N -1.134 119.546 120.400 0.466 0.000 2.444 59 K HA 0.139 4.413 4.320 -0.077 0.000 0.193 59 K C 0.082 176.669 176.600 -0.021 0.000 1.024 59 K CA 0.091 56.482 56.287 0.173 0.000 1.077 59 K CB -0.057 32.496 32.500 0.089 0.000 0.833 59 K HN 0.134 nan 8.250 nan 0.000 0.517 60 F N 0.754 120.686 119.950 -0.031 0.000 2.458 60 F HA 0.267 4.749 4.527 -0.076 0.000 0.330 60 F C 0.263 175.997 175.800 -0.110 0.000 1.082 60 F CA -1.337 56.599 58.000 -0.108 0.000 0.995 60 F CB 1.385 40.347 39.000 -0.062 0.000 1.170 60 F HN -0.305 nan 8.300 nan 0.000 0.478 61 V N 1.391 121.268 119.914 -0.062 0.000 2.914 61 V HA 0.612 4.686 4.120 -0.077 0.000 0.314 61 V C -0.542 175.516 176.094 -0.060 0.000 1.084 61 V CA -1.056 61.183 62.300 -0.102 0.000 0.963 61 V CB 1.871 33.497 31.823 -0.329 0.000 1.025 61 V HN 0.470 nan 8.190 nan 0.000 0.432 62 I N 2.615 123.205 120.570 0.033 0.000 2.519 62 I HA 0.699 4.823 4.170 -0.077 0.000 0.287 62 I C 0.654 176.853 176.117 0.137 0.000 1.047 62 I CA 0.177 61.523 61.300 0.078 0.000 1.381 62 I CB 1.091 39.153 38.000 0.102 0.000 1.417 62 I HN 1.068 nan 8.210 nan 0.000 0.540 63 A N 4.738 127.648 122.820 0.149 0.000 2.374 63 A HA 0.859 5.134 4.320 -0.077 0.000 0.317 63 A C -0.154 177.550 177.584 0.199 0.000 1.094 63 A CA -0.526 51.660 52.037 0.250 0.000 0.765 63 A CB 1.481 20.635 19.000 0.257 0.000 1.268 63 A HN 0.821 nan 8.150 nan 0.000 0.438 64 A N 0.958 123.917 122.820 0.232 0.000 2.246 64 A HA 0.716 4.990 4.320 -0.077 0.000 0.291 64 A C -0.098 177.550 177.584 0.105 0.000 1.103 64 A CA -0.389 51.744 52.037 0.160 0.000 0.844 64 A CB 0.469 19.576 19.000 0.177 0.000 1.136 64 A HN 0.836 nan 8.150 nan 0.000 0.500 65 Q N -0.781 119.059 119.800 0.066 0.000 2.372 65 Q HA 0.456 4.750 4.340 -0.077 0.000 0.273 65 Q C -0.525 175.457 176.000 -0.029 0.000 1.078 65 Q CA -0.485 55.328 55.803 0.017 0.000 0.806 65 Q CB 1.767 30.512 28.738 0.011 0.000 1.332 65 Q HN 0.866 nan 8.270 nan 0.000 0.435 66 N N -0.650 118.014 118.700 -0.061 0.000 2.900 66 N HA -0.253 4.441 4.740 -0.077 0.000 0.240 66 N C -0.425 175.015 175.510 -0.117 0.000 0.953 66 N CA 0.521 53.514 53.050 -0.095 0.000 0.950 66 N CB -0.729 37.685 38.487 -0.123 0.000 1.102 66 N HN 0.687 nan 8.380 nan 0.000 0.593 67 A N 0.520 123.268 122.820 -0.120 0.000 2.548 67 A HA 0.461 4.735 4.320 -0.077 0.000 0.247 67 A C 1.378 178.871 177.584 -0.151 0.000 1.067 67 A CA 1.011 52.965 52.037 -0.138 0.000 0.757 67 A CB 0.224 19.141 19.000 -0.138 0.000 0.996 67 A HN 0.474 nan 8.150 nan 0.000 0.504 68 G N 1.593 110.317 108.800 -0.127 0.000 3.342 68 G HA2 0.076 3.990 3.960 -0.077 0.000 0.252 68 G HA3 0.076 3.990 3.960 -0.077 0.000 0.252 68 G C 0.358 175.204 174.900 -0.090 0.000 1.011 68 G CA -0.130 44.905 45.100 -0.109 0.000 0.869 68 G HN 0.723 nan 8.290 nan 0.000 0.514 69 N N 1.046 119.692 118.700 -0.090 0.000 2.421 69 N HA 0.408 5.102 4.740 -0.077 0.000 0.285 69 N C 1.412 176.892 175.510 -0.051 0.000 1.027 69 N CA 0.218 53.227 53.050 -0.068 0.000 0.918 69 N CB 1.968 40.411 38.487 -0.073 0.000 1.152 69 N HN -0.064 nan 8.380 nan 0.000 0.485 70 A N 3.648 126.449 122.820 -0.032 0.000 1.908 70 A HA -0.178 4.096 4.320 -0.077 0.000 0.218 70 A C 1.454 179.044 177.584 0.011 0.000 1.181 70 A CA 1.532 53.564 52.037 -0.008 0.000 0.627 70 A CB -0.231 18.768 19.000 -0.003 0.000 0.818 70 A HN 0.777 nan 8.150 nan 0.000 0.445 71 D N 0.153 120.554 120.400 0.001 0.000 2.144 71 D HA 0.114 4.708 4.640 -0.077 0.000 0.200 71 D C 1.400 177.714 176.300 0.024 0.000 0.978 71 D CA 1.094 55.102 54.000 0.014 0.000 0.833 71 D CB -0.531 40.269 40.800 -0.000 0.000 0.961 71 D HN 0.480 nan 8.370 nan 0.000 0.470 81 A N -0.032 122.893 122.820 0.175 0.000 1.902 81 A HA -0.211 4.063 4.320 -0.077 0.000 0.217 81 A C 2.319 179.995 177.584 0.154 0.000 1.181 81 A CA 2.561 54.690 52.037 0.152 0.000 0.623 81 A CB -0.554 18.502 19.000 0.092 0.000 0.818 81 A HN 0.392 nan 8.150 nan 0.000 0.443 82 S N -0.630 115.157 115.700 0.146 0.000 2.383 82 S HA -0.076 4.348 4.470 -0.077 0.000 0.227 82 S C 1.953 176.683 174.600 0.218 0.000 1.026 82 S CA 1.292 59.585 58.200 0.154 0.000 0.981 82 S CB -0.498 62.774 63.200 0.120 0.000 0.818 82 S HN 0.480 nan 8.310 nan 0.000 0.472 83 L N 0.825 122.207 121.223 0.264 0.000 2.017 83 L HA -0.110 4.184 4.340 -0.077 0.000 0.208 83 L C 2.724 179.781 176.870 0.312 0.000 1.073 83 L CA 1.763 56.807 54.840 0.341 0.000 0.745 83 L CB -0.488 41.850 42.059 0.465 0.000 0.894 83 L HN 0.287 nan 8.230 nan 0.000 0.432 84 K N 0.337 120.875 120.400 0.229 0.000 2.032 84 K HA -0.250 4.024 4.320 -0.077 0.000 0.209 84 K C 1.803 178.431 176.600 0.047 0.000 1.048 84 K CA 1.834 58.114 56.287 -0.011 0.000 0.927 84 K CB -0.363 32.090 32.500 -0.079 0.000 0.712 84 K HN 0.125 nan 8.250 nan 0.000 0.441 85 D N -0.748 119.715 120.400 0.104 0.000 2.182 85 D HA -0.183 4.411 4.640 -0.077 0.000 0.201 85 D C 1.419 177.795 176.300 0.127 0.000 0.986 85 D CA 0.785 54.842 54.000 0.096 0.000 0.847 85 D CB -0.150 40.716 40.800 0.110 0.000 0.942 85 D HN 0.284 nan 8.370 nan 0.000 0.467 86 F N -0.285 119.683 119.950 0.029 0.000 2.748 86 F HA 0.190 4.670 4.527 -0.078 0.000 0.299 86 F C 1.630 177.435 175.800 0.007 0.000 1.154 86 F CA 1.195 59.206 58.000 0.020 0.000 1.446 86 F CB 0.311 39.329 39.000 0.030 0.000 1.112 86 F HN 0.095 nan 8.300 nan 0.000 0.584 87 G N 0.527 109.336 108.800 0.016 0.000 2.134 87 G HA2 -0.191 3.723 3.960 -0.077 0.000 0.209 87 G HA3 -0.191 3.723 3.960 -0.077 0.000 0.209 87 G C -0.388 174.534 174.900 0.037 0.000 0.993 87 G CA 0.065 45.135 45.100 -0.051 0.000 0.669 87 G HN 0.248 nan 8.290 nan 0.000 0.519 88 V N 0.404 120.396 119.914 0.130 0.000 2.370 88 V HA 0.469 4.543 4.120 -0.077 0.000 0.279 88 V C 0.731 176.834 176.094 0.016 0.000 1.029 88 V CA 0.043 62.453 62.300 0.183 0.000 0.870 88 V CB 1.441 33.460 31.823 0.327 0.000 0.984 88 V HN 0.359 nan 8.190 nan 0.000 0.451 89 N N 2.456 121.201 118.700 0.075 0.000 2.159 89 N HA 0.207 4.901 4.740 -0.077 0.000 0.217 89 N C -0.698 174.846 175.510 0.058 0.000 1.223 89 N CA -0.202 52.754 53.050 -0.157 0.000 0.896 89 N CB 0.622 39.108 38.487 -0.002 0.000 1.064 89 N HN 0.612 nan 8.380 nan 0.000 0.518 90 W N 0.889 122.306 121.300 0.196 0.000 2.781 90 W HA 0.674 5.299 4.660 -0.059 0.000 0.345 90 W C -0.690 176.055 176.519 0.377 0.000 1.085 90 W CA -0.666 56.850 57.345 0.285 0.000 1.198 90 W CB 1.289 30.840 29.460 0.153 0.000 1.423 90 W HN -0.312 nan 8.180 nan 0.000 0.532 91 I N 1.537 122.373 120.570 0.444 0.000 2.841 91 I HA 0.500 4.624 4.170 -0.077 0.000 0.298 91 I C -1.611 174.596 176.117 0.150 0.000 1.304 91 I CA -0.995 60.427 61.300 0.204 0.000 1.019 91 I CB 1.702 39.641 38.000 -0.102 0.000 1.282 91 I HN 0.066 nan 8.210 nan 0.000 0.432 92 V N 7.249 127.227 119.914 0.107 0.000 2.435 92 V HA 0.576 4.650 4.120 -0.077 0.000 0.290 92 V C -0.312 175.802 176.094 0.033 0.000 1.030 92 V CA -0.397 61.957 62.300 0.090 0.000 0.881 92 V CB 1.522 33.398 31.823 0.089 0.000 0.983 92 V HN 0.467 nan 8.190 nan 0.000 0.445 93 L N 2.987 124.229 121.223 0.032 0.000 2.409 93 L HA 0.770 5.064 4.340 -0.077 0.000 0.262 93 L C 0.928 177.815 176.870 0.029 0.000 0.992 93 L CA -0.245 54.595 54.840 0.001 0.000 0.817 93 L CB 2.157 44.190 42.059 -0.045 0.000 1.350 93 L HN 0.821 nan 8.230 nan 0.000 0.411 94 G N -0.183 108.630 108.800 0.023 0.000 2.159 94 G HA2 -0.257 3.657 3.960 -0.077 0.000 0.256 94 G HA3 -0.257 3.657 3.960 -0.077 0.000 0.256 94 G C 0.367 175.295 174.900 0.048 0.000 0.977 94 G CA 0.133 45.248 45.100 0.024 0.000 0.652 94 G HN 0.768 nan 8.290 nan 0.000 0.531 95 H N 1.427 120.487 119.070 -0.017 0.000 3.016 95 H HA 0.187 4.695 4.556 -0.079 0.000 0.345 95 H C 2.250 177.568 175.328 -0.016 0.000 1.066 95 H CA 1.292 57.333 56.048 -0.013 0.000 1.390 95 H CB 0.870 30.623 29.762 -0.015 0.000 1.344 95 H HN 0.428 nan 8.280 nan 0.000 0.605 96 S N 3.272 118.779 115.700 -0.321 0.000 2.368 96 S HA -0.283 4.141 4.470 -0.077 0.000 0.226 96 S C 1.734 176.254 174.600 -0.132 0.000 1.044 96 S CA 1.540 59.692 58.200 -0.081 0.000 1.062 96 S CB -0.296 62.904 63.200 -0.002 0.000 0.931 96 S HN 0.855 nan 8.310 nan 0.000 0.440 97 E N 2.060 122.108 120.200 -0.253 0.000 2.268 97 E HA -0.167 4.137 4.350 -0.077 0.000 0.195 97 E C 1.809 178.166 176.600 -0.405 0.000 0.995 97 E CA 0.672 56.540 56.400 -0.887 0.000 0.836 97 E CB -0.430 28.949 29.700 -0.535 0.000 0.763 97 E HN 0.401 nan 8.360 nan 0.000 0.491 98 R N 1.051 121.517 120.500 -0.056 0.000 2.120 98 R HA 0.005 4.299 4.340 -0.077 0.000 0.234 98 R C 2.398 178.718 176.300 0.033 0.000 1.123 98 R CA 1.313 57.464 56.100 0.085 0.000 0.975 98 R CB -0.632 29.684 30.300 0.026 0.000 0.866 98 R HN 0.340 nan 8.270 nan 0.000 0.446 99 R N -0.257 120.222 120.500 -0.034 0.000 2.075 99 R HA 0.029 4.323 4.340 -0.077 0.000 0.220 99 R C 2.262 178.601 176.300 0.065 0.000 1.118 99 R CA 1.184 57.299 56.100 0.025 0.000 0.986 99 R CB -0.298 30.039 30.300 0.061 0.000 0.884 99 R HN 0.430 nan 8.270 nan 0.000 0.439 100 W N -0.453 120.890 121.300 0.072 0.000 2.770 100 W HA 0.040 4.654 4.660 -0.077 0.000 0.256 100 W C 0.797 177.348 176.519 0.054 0.000 1.291 100 W CA 0.131 57.506 57.345 0.050 0.000 1.396 100 W CB -0.207 29.278 29.460 0.041 0.000 1.114 100 W HN 0.066 nan 8.180 nan 0.000 0.637 101 Y N -0.109 119.940 120.300 -0.418 0.000 2.697 101 Y HA 0.111 4.614 4.550 -0.078 0.000 0.268 101 Y C 2.052 177.672 175.900 -0.466 0.000 1.092 101 Y CA 0.846 58.631 58.100 -0.525 0.000 1.304 101 Y CB -0.885 36.869 38.460 -1.176 0.000 1.446 101 Y HN -0.262 nan 8.280 nan 0.000 0.491 102 Y N 0.623 120.860 120.300 -0.104 0.000 2.561 102 Y HA 0.224 4.728 4.550 -0.077 0.000 0.291 102 Y C 1.907 177.740 175.900 -0.112 0.000 1.141 102 Y CA 0.883 58.924 58.100 -0.099 0.000 1.303 102 Y CB -0.203 38.239 38.460 -0.030 0.000 1.015 102 Y HN 0.351 nan 8.280 nan 0.000 0.547 103 G N 0.614 109.414 108.800 0.000 0.000 2.147 103 G HA2 -0.285 3.630 3.960 -0.077 0.000 0.244 103 G HA3 -0.285 3.630 3.960 -0.077 0.000 0.244 103 G C -0.249 174.663 174.900 0.019 0.000 1.005 103 G CA -0.122 44.976 45.100 -0.003 0.000 0.713 103 G HN 0.430 nan 8.290 nan 0.000 0.515 104 E N 1.967 122.188 120.200 0.035 0.000 2.220 104 E HA 0.328 4.632 4.350 -0.077 0.000 0.272 104 E C 1.356 177.966 176.600 0.015 0.000 1.099 104 E CA 0.508 56.919 56.400 0.018 0.000 0.907 104 E CB 0.433 30.140 29.700 0.012 0.000 1.022 104 E HN 0.547 nan 8.360 nan 0.000 0.428 105 T N 0.951 115.510 114.554 0.009 0.000 2.754 105 T HA 0.051 4.355 4.350 -0.077 0.000 0.286 105 T C 1.150 175.854 174.700 0.007 0.000 0.997 105 T CA -0.726 61.381 62.100 0.011 0.000 0.982 105 T CB 0.633 69.505 68.868 0.007 0.000 1.027 105 T HN 0.227 nan 8.240 nan 0.000 0.529 106 N N 0.772 119.476 118.700 0.008 0.000 2.094 106 N HA -0.106 4.588 4.740 -0.077 0.000 0.191 106 N C 1.756 177.265 175.510 -0.002 0.000 1.023 106 N CA 1.453 54.504 53.050 0.002 0.000 0.857 106 N CB -0.517 37.971 38.487 0.002 0.000 1.013 106 N HN 0.691 nan 8.380 nan 0.000 0.426 107 E N 0.336 120.537 120.200 0.001 0.000 2.107 107 E HA 0.081 4.385 4.350 -0.077 0.000 0.191 107 E C 2.066 178.661 176.600 -0.009 0.000 0.982 107 E CA 0.260 56.659 56.400 -0.001 0.000 0.809 107 E CB -0.160 29.542 29.700 0.004 0.000 0.756 107 E HN 0.352 nan 8.360 nan 0.000 0.459 108 I N 0.032 120.596 120.570 -0.010 0.000 2.179 108 I HA -0.266 3.858 4.170 -0.077 0.000 0.242 108 I C 1.986 178.087 176.117 -0.027 0.000 1.088 108 I CA 0.810 62.099 61.300 -0.018 0.000 1.357 108 I CB -0.170 37.821 38.000 -0.016 0.000 1.051 108 I HN 0.010 nan 8.210 nan 0.000 0.409 109 V N 0.901 120.801 119.914 -0.023 0.000 2.343 109 V HA -0.289 3.785 4.120 -0.077 0.000 0.247 109 V C 2.702 178.771 176.094 -0.041 0.000 1.051 109 V CA 1.923 64.205 62.300 -0.031 0.000 1.036 109 V CB -1.059 30.752 31.823 -0.020 0.000 0.654 109 V HN 0.498 nan 8.190 nan 0.000 0.451 110 A N 0.012 122.813 122.820 -0.032 0.000 1.908 110 A HA -0.282 3.992 4.320 -0.077 0.000 0.218 110 A C 1.997 179.556 177.584 -0.043 0.000 1.181 110 A CA 2.209 54.224 52.037 -0.036 0.000 0.627 110 A CB -0.680 18.312 19.000 -0.014 0.000 0.818 110 A HN 0.534 nan 8.150 nan 0.000 0.445 111 D N -0.374 120.005 120.400 -0.035 0.000 2.144 111 D HA -0.099 4.495 4.640 -0.077 0.000 0.199 111 D C 1.976 178.244 176.300 -0.054 0.000 0.984 111 D CA 1.238 55.216 54.000 -0.037 0.000 0.834 111 D CB -0.221 40.562 40.800 -0.029 0.000 0.955 111 D HN 0.492 nan 8.370 nan 0.000 0.465 112 K N 0.326 120.688 120.400 -0.063 0.000 2.026 112 K HA -0.062 4.212 4.320 -0.077 0.000 0.208 112 K C 2.191 178.729 176.600 -0.104 0.000 1.048 112 K CA 0.578 56.813 56.287 -0.087 0.000 0.929 112 K CB -0.175 32.272 32.500 -0.088 0.000 0.713 112 K HN 0.008 nan 8.250 nan 0.000 0.439 113 V N 1.558 121.414 119.914 -0.096 0.000 2.332 113 V HA -0.284 3.791 4.120 -0.077 0.000 0.248 113 V C 2.399 178.426 176.094 -0.112 0.000 1.055 113 V CA 2.128 64.359 62.300 -0.115 0.000 1.038 113 V CB -0.694 31.053 31.823 -0.127 0.000 0.651 113 V HN 0.369 nan 8.190 nan 0.000 0.450 114 A N -0.178 122.588 122.820 -0.090 0.000 1.898 114 A HA -0.079 4.195 4.320 -0.077 0.000 0.216 114 A C 2.434 179.985 177.584 -0.054 0.000 1.181 114 A CA 1.998 53.992 52.037 -0.071 0.000 0.620 114 A CB -0.800 18.172 19.000 -0.048 0.000 0.819 114 A HN 0.568 nan 8.150 nan 0.000 0.442 115 A N -0.042 122.744 122.820 -0.057 0.000 1.908 115 A HA 0.122 4.396 4.320 -0.077 0.000 0.218 115 A C 2.518 180.077 177.584 -0.042 0.000 1.181 115 A CA 2.246 54.255 52.037 -0.046 0.000 0.627 115 A CB -1.060 17.904 19.000 -0.059 0.000 0.818 115 A HN 1.060 nan 8.150 nan 0.000 0.445 116 A N -0.609 122.152 122.820 -0.097 0.000 1.877 116 A HA -0.011 4.263 4.320 -0.077 0.000 0.216 116 A C 2.237 179.866 177.584 0.076 0.000 1.186 116 A CA 1.808 53.776 52.037 -0.116 0.000 0.620 116 A CB -1.026 17.803 19.000 -0.284 0.000 0.822 116 A HN 0.413 nan 8.150 nan 0.000 0.443 117 V N -0.101 119.811 119.914 -0.003 0.000 2.332 117 V HA -0.278 3.796 4.120 -0.077 0.000 0.248 117 V C 3.012 179.120 176.094 0.025 0.000 1.055 117 V CA 2.041 64.338 62.300 -0.005 0.000 1.038 117 V CB -1.171 30.608 31.823 -0.074 0.000 0.651 117 V HN 0.619 nan 8.190 nan 0.000 0.450 118 A N -0.768 122.064 122.820 0.020 0.000 2.067 118 A HA -0.122 4.152 4.320 -0.077 0.000 0.219 118 A C 2.227 179.846 177.584 0.059 0.000 1.158 118 A CA 1.746 53.799 52.037 0.026 0.000 0.661 118 A CB -0.368 18.640 19.000 0.014 0.000 0.801 118 A HN 0.518 nan 8.150 nan 0.000 0.452 119 S N -1.290 114.483 115.700 0.122 0.000 2.605 119 S HA 0.382 4.807 4.470 -0.077 0.000 0.217 119 S C 1.215 175.910 174.600 0.159 0.000 0.958 119 S CA 0.617 58.927 58.200 0.182 0.000 0.919 119 S CB 0.060 63.438 63.200 0.296 0.000 0.780 119 S HN 1.561 nan 8.310 nan 0.000 0.507 120 G N 1.075 109.932 108.800 0.095 0.000 2.132 120 G HA2 -0.235 3.679 3.960 -0.077 0.000 0.228 120 G HA3 -0.235 3.679 3.960 -0.077 0.000 0.228 120 G C -0.136 174.678 174.900 -0.144 0.000 1.000 120 G CA -0.558 44.517 45.100 -0.042 0.000 0.693 120 G HN 0.406 nan 8.290 nan 0.000 0.515 121 F N 0.501 120.393 119.950 -0.096 0.000 2.375 121 F HA 0.705 5.184 4.527 -0.081 0.000 0.333 121 F C 1.103 176.737 175.800 -0.277 0.000 1.104 121 F CA -0.839 57.073 58.000 -0.147 0.000 1.149 121 F CB 0.942 39.884 39.000 -0.098 0.000 1.190 121 F HN -0.076 nan 8.300 nan 0.000 0.533 122 M N 3.111 122.501 119.600 -0.350 0.000 2.162 122 M HA 0.265 4.699 4.480 -0.077 0.000 0.356 122 M C -0.782 175.265 176.300 -0.422 0.000 1.303 122 M CA -0.308 54.574 55.300 -0.695 0.000 1.116 122 M CB 0.831 32.317 32.600 -1.858 0.000 1.632 122 M HN 0.152 nan 8.290 nan 0.000 0.469 123 V N 5.728 125.480 119.914 -0.270 0.000 2.409 123 V HA 0.450 4.524 4.120 -0.077 0.000 0.291 123 V C 0.107 176.181 176.094 -0.034 0.000 1.020 123 V CA -0.650 61.590 62.300 -0.100 0.000 0.848 123 V CB 1.840 33.596 31.823 -0.111 0.000 0.990 123 V HN 0.664 nan 8.190 nan 0.000 0.430 124 I N 4.685 125.311 120.570 0.094 0.000 2.291 124 I HA 0.533 4.657 4.170 -0.077 0.000 0.292 124 I C 0.598 176.761 176.117 0.076 0.000 1.064 124 I CA -0.051 61.329 61.300 0.134 0.000 1.269 124 I CB 1.083 39.222 38.000 0.231 0.000 1.418 124 I HN 0.680 nan 8.210 nan 0.000 0.485 125 A N 6.487 129.329 122.820 0.036 0.000 2.276 125 A HA 0.591 4.865 4.320 -0.077 0.000 0.316 125 A C -0.468 177.137 177.584 0.036 0.000 1.229 125 A CA -0.387 51.657 52.037 0.011 0.000 0.851 125 A CB 0.591 19.563 19.000 -0.047 0.000 1.165 125 A HN 0.772 nan 8.150 nan 0.000 0.513 126 C N 3.079 122.401 119.300 0.037 0.000 2.358 126 C HA 0.798 5.212 4.460 -0.077 0.000 0.342 126 C C 0.308 175.302 174.990 0.006 0.000 1.234 126 C CA -0.434 58.599 59.018 0.026 0.000 1.969 126 C CB -0.352 27.399 27.740 0.019 0.000 2.346 126 C HN 0.779 nan 8.230 nan 0.000 0.525 127 I N 0.243 120.821 120.570 0.012 0.000 3.095 127 I HA 1.021 5.145 4.170 -0.077 0.000 0.310 127 I C -0.246 175.894 176.117 0.038 0.000 1.196 127 I CA -0.532 60.789 61.300 0.035 0.000 0.985 127 I CB 2.281 40.316 38.000 0.059 0.000 1.250 127 I HN 0.854 nan 8.210 nan 0.000 0.446 128 G N 2.189 111.037 108.800 0.079 0.000 2.368 128 G HA2 0.330 4.244 3.960 -0.077 0.000 0.303 128 G HA3 0.330 4.244 3.960 -0.077 0.000 0.303 128 G C -1.982 172.997 174.900 0.133 0.000 1.590 128 G CA -0.649 44.496 45.100 0.076 0.000 0.938 128 G HN 1.023 nan 8.290 nan 0.000 0.675 129 E N 0.121 120.465 120.200 0.240 0.000 2.212 129 E HA 0.705 5.010 4.350 -0.077 0.000 0.270 129 E C 0.447 177.196 176.600 0.249 0.000 0.956 129 E CA -0.160 56.369 56.400 0.215 0.000 0.825 129 E CB 1.590 31.407 29.700 0.195 0.000 1.167 129 E HN 0.811 nan 8.360 nan 0.000 0.400 130 T N -0.308 114.343 114.554 0.163 0.000 2.788 130 T HA 0.125 4.430 4.350 -0.077 0.000 0.280 130 T C 1.317 176.125 174.700 0.180 0.000 0.984 130 T CA -0.585 61.596 62.100 0.134 0.000 0.972 130 T CB 0.647 69.545 68.868 0.050 0.000 1.039 130 T HN 0.426 nan 8.240 nan 0.000 0.530 131 L N 0.875 122.192 121.223 0.157 0.000 2.012 131 L HA -0.068 4.226 4.340 -0.077 0.000 0.210 131 L C 2.700 179.607 176.870 0.062 0.000 1.073 131 L CA 1.932 56.867 54.840 0.157 0.000 0.748 131 L CB -1.361 40.762 42.059 0.108 0.000 0.891 131 L HN 0.741 nan 8.230 nan 0.000 0.431 132 Q N -0.040 119.780 119.800 0.033 0.000 2.096 132 Q HA -0.221 4.073 4.340 -0.077 0.000 0.204 132 Q C 2.176 178.181 176.000 0.009 0.000 0.982 132 Q CA 2.205 58.016 55.803 0.013 0.000 0.850 132 Q CB -0.344 28.398 28.738 0.006 0.000 0.901 132 Q HN 0.632 nan 8.270 nan 0.000 0.422 133 E N -0.123 120.091 120.200 0.022 0.000 2.072 133 E HA -0.155 4.149 4.350 -0.077 0.000 0.191 133 E C 2.058 178.647 176.600 -0.019 0.000 0.985 133 E CA 0.766 57.175 56.400 0.015 0.000 0.801 133 E CB -0.107 29.618 29.700 0.041 0.000 0.750 133 E HN 0.210 nan 8.360 nan 0.000 0.452 134 R N 1.177 121.652 120.500 -0.042 0.000 2.081 134 R HA -0.154 4.140 4.340 -0.077 0.000 0.235 134 R C 1.785 178.003 176.300 -0.137 0.000 1.131 134 R CA 1.442 57.446 56.100 -0.159 0.000 0.960 134 R CB 0.087 30.164 30.300 -0.371 0.000 0.856 134 R HN 0.143 nan 8.270 nan 0.000 0.436 135 E N -0.248 119.904 120.200 -0.081 0.000 2.285 135 E HA -0.082 4.222 4.350 -0.077 0.000 0.194 135 E C 1.414 177.987 176.600 -0.045 0.000 0.997 135 E CA 1.126 57.489 56.400 -0.061 0.000 0.845 135 E CB 0.243 29.924 29.700 -0.031 0.000 0.782 135 E HN 0.395 nan 8.360 nan 0.000 0.491 136 S N -0.566 115.112 115.700 -0.036 0.000 2.650 136 S HA 0.141 4.565 4.470 -0.077 0.000 0.219 136 S C 1.501 176.082 174.600 -0.032 0.000 0.960 136 S CA 0.243 58.427 58.200 -0.026 0.000 0.925 136 S CB 0.250 63.441 63.200 -0.015 0.000 0.775 136 S HN 0.315 nan 8.310 nan 0.000 0.525 137 G N 1.827 110.597 108.800 -0.050 0.000 2.160 137 G HA2 -0.287 3.627 3.960 -0.077 0.000 0.251 137 G HA3 -0.287 3.627 3.960 -0.077 0.000 0.251 137 G C 0.487 175.361 174.900 -0.043 0.000 1.008 137 G CA 0.259 45.327 45.100 -0.053 0.000 0.724 137 G HN 0.592 nan 8.290 nan 0.000 0.514 138 R N -0.388 120.090 120.500 -0.037 0.000 2.586 138 R HA 0.250 4.544 4.340 -0.077 0.000 0.336 138 R C 2.055 178.347 176.300 -0.014 0.000 1.060 138 R CA 0.421 56.510 56.100 -0.019 0.000 1.079 138 R CB 0.035 30.331 30.300 -0.007 0.000 1.317 138 R HN 0.287 nan 8.270 nan 0.000 0.568 139 T N 1.404 115.938 114.554 -0.032 0.000 2.597 139 T HA -0.280 4.024 4.350 -0.077 0.000 0.267 139 T C 2.061 176.762 174.700 0.002 0.000 1.053 139 T CA 2.101 64.194 62.100 -0.012 0.000 1.165 139 T CB -0.122 68.712 68.868 -0.056 0.000 0.863 139 T HN 0.447 nan 8.240 nan 0.000 0.427 140 A N 0.565 123.374 122.820 -0.017 0.000 1.858 140 A HA -0.061 4.213 4.320 -0.077 0.000 0.216 140 A C 2.596 180.170 177.584 -0.018 0.000 1.190 140 A CA 1.786 53.813 52.037 -0.017 0.000 0.617 140 A CB -1.257 17.738 19.000 -0.008 0.000 0.827 140 A HN 0.350 nan 8.150 nan 0.000 0.443 141 V N -0.349 119.560 119.914 -0.008 0.000 2.407 141 V HA -0.188 3.886 4.120 -0.077 0.000 0.248 141 V C 2.426 178.512 176.094 -0.014 0.000 1.055 141 V CA 2.349 64.646 62.300 -0.006 0.000 1.049 141 V CB -0.355 31.471 31.823 0.005 0.000 0.662 141 V HN 0.322 nan 8.190 nan 0.000 0.455 142 V N -0.438 119.476 119.914 -0.001 0.000 2.270 142 V HA -0.189 3.885 4.120 -0.077 0.000 0.245 142 V C 2.475 178.567 176.094 -0.004 0.000 1.043 142 V CA 2.196 64.501 62.300 0.009 0.000 1.014 142 V CB -0.353 31.491 31.823 0.036 0.000 0.645 142 V HN 0.435 nan 8.190 nan 0.000 0.447 143 V N -0.203 119.716 119.914 0.008 0.000 2.343 143 V HA -0.223 3.851 4.120 -0.077 0.000 0.247 143 V C 2.239 178.258 176.094 -0.126 0.000 1.051 143 V CA 1.861 64.162 62.300 0.002 0.000 1.036 143 V CB -0.483 31.378 31.823 0.064 0.000 0.654 143 V HN 0.443 nan 8.190 nan 0.000 0.451 144 L N -0.616 120.494 121.223 -0.189 0.000 2.217 144 L HA -0.106 4.188 4.340 -0.077 0.000 0.211 144 L C 2.524 179.150 176.870 -0.406 0.000 1.107 144 L CA 1.422 56.003 54.840 -0.432 0.000 0.783 144 L CB -0.842 40.998 42.059 -0.365 0.000 0.919 144 L HN 0.335 nan 8.230 nan 0.000 0.442 145 T N -0.814 113.630 114.554 -0.183 0.000 2.821 145 T HA -0.169 4.135 4.350 -0.077 0.000 0.267 145 T C 1.908 176.542 174.700 -0.109 0.000 1.046 145 T CA 1.113 63.149 62.100 -0.107 0.000 1.139 145 T CB -0.042 68.803 68.868 -0.038 0.000 0.871 145 T HN 0.384 nan 8.240 nan 0.000 0.454 146 Q N 0.235 119.971 119.800 -0.107 0.000 2.046 146 Q HA 0.055 4.349 4.340 -0.077 0.000 0.200 146 Q C 2.324 178.256 176.000 -0.113 0.000 0.975 146 Q CA 1.143 56.901 55.803 -0.075 0.000 0.836 146 Q CB -0.227 28.489 28.738 -0.036 0.000 0.896 146 Q HN 0.464 nan 8.270 nan 0.000 0.428 147 I N 0.320 120.756 120.570 -0.223 0.000 2.439 147 I HA -0.198 3.926 4.170 -0.077 0.000 0.251 147 I C 2.088 178.047 176.117 -0.264 0.000 1.139 147 I CA 0.670 61.823 61.300 -0.246 0.000 1.438 147 I CB -0.077 37.720 38.000 -0.337 0.000 1.085 147 I HN 0.150 nan 8.210 nan 0.000 0.427 148 A N 0.767 123.341 122.820 -0.409 0.000 1.940 148 A HA -0.213 4.061 4.320 -0.077 0.000 0.219 148 A C 2.449 180.095 177.584 0.104 0.000 1.176 148 A CA 1.814 53.828 52.037 -0.039 0.000 0.631 148 A CB -0.920 18.115 19.000 0.058 0.000 0.814 148 A HN 0.545 nan 8.150 nan 0.000 0.446 149 A N -0.297 122.538 122.820 0.025 0.000 1.930 149 A HA -0.031 4.243 4.320 -0.077 0.000 0.217 149 A C 2.107 179.721 177.584 0.050 0.000 1.175 149 A CA 1.431 53.493 52.037 0.042 0.000 0.627 149 A CB -0.530 18.477 19.000 0.012 0.000 0.815 149 A HN 0.499 nan 8.150 nan 0.000 0.443 150 I N -0.317 120.275 120.570 0.035 0.000 2.202 150 I HA -0.251 3.873 4.170 -0.077 0.000 0.242 150 I C 2.953 179.118 176.117 0.080 0.000 1.091 150 I CA 1.018 62.326 61.300 0.013 0.000 1.368 150 I CB -0.280 37.699 38.000 -0.036 0.000 1.058 150 I HN 0.344 nan 8.210 nan 0.000 0.410 151 A N 0.547 123.526 122.820 0.265 0.000 1.933 151 A HA -0.268 4.006 4.320 -0.077 0.000 0.218 151 A C 2.360 180.127 177.584 0.305 0.000 1.175 151 A CA 1.826 54.156 52.037 0.487 0.000 0.628 151 A CB -0.552 18.930 19.000 0.804 0.000 0.814 151 A HN 0.362 nan 8.150 nan 0.000 0.444 152 K N -0.354 120.176 120.400 0.217 0.000 2.152 152 K HA -0.152 4.122 4.320 -0.077 0.000 0.206 152 K C 1.026 177.687 176.600 0.102 0.000 1.048 152 K CA 1.413 57.790 56.287 0.149 0.000 0.933 152 K CB -0.008 32.561 32.500 0.115 0.000 0.721 152 K HN 0.232 nan 8.250 nan 0.000 0.447 153 K N 0.396 120.841 120.400 0.074 0.000 2.404 153 K HA 0.170 4.444 4.320 -0.077 0.000 0.194 153 K C 0.233 176.847 176.600 0.023 0.000 1.023 153 K CA 0.173 56.481 56.287 0.035 0.000 1.094 153 K CB 0.366 32.869 32.500 0.005 0.000 0.841 153 K HN 0.181 nan 8.250 nan 0.000 0.523 154 L N 1.456 122.712 121.223 0.055 0.000 2.322 154 L HA 0.363 4.657 4.340 -0.077 0.000 0.269 154 L C 0.157 177.103 176.870 0.126 0.000 1.012 154 L CA -1.052 53.809 54.840 0.036 0.000 0.815 154 L CB 1.660 43.665 42.059 -0.089 0.000 1.295 154 L HN -0.044 nan 8.230 nan 0.000 0.438 155 K N 0.219 120.685 120.400 0.109 0.000 2.139 155 K HA 0.365 4.639 4.320 -0.077 0.000 0.243 155 K C 0.388 177.133 176.600 0.242 0.000 0.983 155 K CA -0.911 55.462 56.287 0.144 0.000 0.890 155 K CB 2.018 34.569 32.500 0.085 0.000 1.090 155 K HN 0.434 nan 8.250 nan 0.000 0.445 156 K N 0.844 121.374 120.400 0.217 0.000 2.063 156 K HA -0.223 4.051 4.320 -0.077 0.000 0.208 156 K C 1.838 178.605 176.600 0.278 0.000 1.048 156 K CA 1.835 58.274 56.287 0.252 0.000 0.928 156 K CB -0.490 32.062 32.500 0.087 0.000 0.713 156 K HN 0.733 nan 8.250 nan 0.000 0.442 157 A N 1.325 124.244 122.820 0.164 0.000 2.076 157 A HA -0.173 4.101 4.320 -0.077 0.000 0.220 157 A C 1.423 179.084 177.584 0.127 0.000 1.160 157 A CA 1.888 53.998 52.037 0.123 0.000 0.653 157 A CB -0.408 18.635 19.000 0.072 0.000 0.801 157 A HN 0.425 nan 8.150 nan 0.000 0.455 158 D N -1.331 119.144 120.400 0.125 0.000 2.264 158 D HA -0.126 4.468 4.640 -0.077 0.000 0.208 158 D C 1.275 177.556 176.300 -0.033 0.000 0.966 158 D CA 0.665 54.668 54.000 0.004 0.000 0.864 158 D CB -0.340 40.410 40.800 -0.083 0.000 0.933 158 D HN 0.751 nan 8.370 nan 0.000 0.499 159 W N 1.669 122.978 121.300 0.014 0.000 2.525 159 W HA 0.040 4.727 4.660 0.046 0.000 0.259 159 W C 2.327 178.851 176.519 0.008 0.000 1.253 159 W CA 0.697 58.054 57.345 0.020 0.000 1.262 159 W CB -0.338 29.143 29.460 0.034 0.000 1.122 159 W HN -0.070 nan 8.180 nan 0.000 0.607 160 A N 0.001 122.922 122.820 0.167 0.000 2.125 160 A HA -0.123 4.151 4.320 -0.077 0.000 0.219 160 A C 1.801 179.391 177.584 0.010 0.000 1.156 160 A CA 1.215 53.305 52.037 0.088 0.000 0.671 160 A CB -0.237 18.801 19.000 0.063 0.000 0.794 160 A HN 0.016 nan 8.150 nan 0.000 0.459 161 K N -0.654 119.720 120.400 -0.043 0.000 2.387 161 K HA 0.334 4.608 4.320 -0.077 0.000 0.203 161 K C -0.446 176.047 176.600 -0.178 0.000 1.030 161 K CA 0.119 56.325 56.287 -0.135 0.000 1.099 161 K CB 0.584 33.004 32.500 -0.132 0.000 0.863 161 K HN 0.244 nan 8.250 nan 0.000 0.529 162 V N 1.317 121.157 119.914 -0.123 0.000 2.581 162 V HA 0.435 4.509 4.120 -0.077 0.000 0.303 162 V C -0.309 175.782 176.094 -0.005 0.000 1.041 162 V CA -0.948 61.264 62.300 -0.147 0.000 0.907 162 V CB 2.430 34.035 31.823 -0.364 0.000 0.994 162 V HN -0.229 nan 8.190 nan 0.000 0.442 163 V N 5.096 125.018 119.914 0.013 0.000 2.638 163 V HA 0.515 4.590 4.120 -0.077 0.000 0.306 163 V C -0.637 175.519 176.094 0.103 0.000 1.052 163 V CA -0.582 61.784 62.300 0.109 0.000 0.885 163 V CB 2.091 34.017 31.823 0.172 0.000 0.999 163 V HN 0.576 nan 8.190 nan 0.000 0.424 164 I N 3.514 124.161 120.570 0.129 0.000 2.392 164 I HA 0.682 4.806 4.170 -0.077 0.000 0.295 164 I C 0.432 176.604 176.117 0.092 0.000 0.985 164 I CA -0.314 61.049 61.300 0.106 0.000 1.221 164 I CB 1.643 39.719 38.000 0.126 0.000 1.366 164 I HN 0.736 nan 8.210 nan 0.000 0.467 165 A N 6.698 129.569 122.820 0.086 0.000 2.304 165 A HA 0.434 4.708 4.320 -0.077 0.000 0.314 165 A C -1.174 176.452 177.584 0.070 0.000 1.187 165 A CA -0.510 51.578 52.037 0.085 0.000 0.810 165 A CB 0.572 19.633 19.000 0.102 0.000 1.183 165 A HN 0.567 nan 8.150 nan 0.000 0.487 166 Y N 2.206 122.475 120.300 -0.052 0.000 2.404 166 Y HA 0.415 4.916 4.550 -0.081 0.000 0.344 166 Y C -0.026 175.866 175.900 -0.013 0.000 0.995 166 Y CA -0.245 57.844 58.100 -0.019 0.000 1.201 166 Y CB 0.676 39.122 38.460 -0.024 0.000 1.151 166 Y HN 0.681 nan 8.280 nan 0.000 0.517 167 E N 8.894 128.669 120.200 -0.708 0.000 2.113 167 E HA 0.224 4.528 4.350 -0.077 0.000 0.273 167 E C -2.503 173.542 176.600 -0.924 0.000 0.924 167 E CA -2.347 53.625 56.400 -0.714 0.000 0.764 167 E CB 1.047 30.481 29.700 -0.444 0.000 1.104 167 E HN 0.459 nan 8.360 nan 0.000 0.406 168 P HA 0.006 nan 4.420 nan 0.000 0.244 168 P C 0.846 177.718 177.300 -0.714 0.000 1.769 168 P CA 0.037 62.712 63.100 -0.708 0.000 1.102 168 P CB 0.297 31.551 31.700 -0.743 0.000 1.937 169 V N 2.361 122.094 119.914 -0.302 0.000 2.469 169 V HA -0.201 3.873 4.120 -0.077 0.000 0.251 169 V C 2.279 178.286 176.094 -0.145 0.000 1.064 169 V CA 1.847 64.044 62.300 -0.172 0.000 1.066 169 V CB -1.389 30.424 31.823 -0.018 0.000 0.667 169 V HN 0.559 nan 8.190 nan 0.000 0.461 170 W N 0.929 122.202 121.300 -0.045 0.000 2.424 170 W HA 0.057 4.669 4.660 -0.080 0.000 0.264 170 W C 1.365 177.875 176.519 -0.014 0.000 1.229 170 W CA 0.938 58.268 57.345 -0.025 0.000 1.208 170 W CB -0.660 28.811 29.460 0.018 0.000 1.127 170 W HN 0.356 nan 8.180 nan 0.000 0.588 171 A N 0.737 123.156 122.820 -0.670 0.000 2.631 171 A HA 0.468 4.742 4.320 -0.077 0.000 0.294 171 A C -0.173 177.185 177.584 -0.377 0.000 1.156 171 A CA -0.393 51.283 52.037 -0.601 0.000 0.963 171 A CB -0.548 17.751 19.000 -1.168 0.000 1.202 171 A HN 0.186 nan 8.150 nan 0.000 0.523 172 I N 0.003 120.407 120.570 -0.277 0.000 2.466 172 I HA 0.459 4.583 4.170 -0.077 0.000 0.279 172 I C 1.127 177.163 176.117 -0.136 0.000 1.033 172 I CA -0.050 61.138 61.300 -0.186 0.000 1.123 172 I CB 1.404 39.299 38.000 -0.174 0.000 1.237 172 I HN 0.386 nan 8.210 nan 0.000 0.460 173 G N 3.913 112.652 108.800 -0.102 0.000 2.159 173 G HA2 -0.317 3.597 3.960 -0.077 0.000 0.256 173 G HA3 -0.317 3.597 3.960 -0.077 0.000 0.256 173 G C 0.712 175.562 174.900 -0.083 0.000 0.977 173 G CA 0.773 45.820 45.100 -0.088 0.000 0.652 173 G HN 0.656 nan 8.290 nan 0.000 0.531 174 T N -2.851 111.661 114.554 -0.070 0.000 3.023 174 T HA 0.467 4.771 4.350 -0.077 0.000 0.253 174 T C 2.348 177.041 174.700 -0.011 0.000 1.038 174 T CA 1.522 63.599 62.100 -0.038 0.000 0.962 174 T CB 0.619 69.484 68.868 -0.006 0.000 1.018 174 T HN 2.105 nan 8.240 nan 0.000 0.521 175 G N 1.850 110.640 108.800 -0.016 0.000 2.184 175 G HA2 -0.247 3.667 3.960 -0.077 0.000 0.264 175 G HA3 -0.247 3.667 3.960 -0.077 0.000 0.264 175 G C 0.114 175.029 174.900 0.025 0.000 0.975 175 G CA 0.156 45.257 45.100 0.001 0.000 0.642 175 G HN 0.586 nan 8.290 nan 0.000 0.536 176 K N 0.101 120.528 120.400 0.044 0.000 2.154 176 K HA 0.641 4.915 4.320 -0.077 0.000 0.264 176 K C 0.081 176.715 176.600 0.057 0.000 1.008 176 K CA -0.453 55.899 56.287 0.108 0.000 0.937 176 K CB 2.067 34.711 32.500 0.240 0.000 1.002 176 K HN 0.191 nan 8.250 nan 0.000 0.469 177 V N 1.407 121.391 119.914 0.116 0.000 2.483 177 V HA 0.369 4.443 4.120 -0.077 0.000 0.297 177 V C -0.249 175.936 176.094 0.152 0.000 1.027 177 V CA -1.174 61.169 62.300 0.072 0.000 0.855 177 V CB 1.621 33.486 31.823 0.069 0.000 0.995 177 V HN 0.855 nan 8.190 nan 0.000 0.424 178 A N 3.549 126.410 122.820 0.067 0.000 2.327 178 A HA 0.751 5.025 4.320 -0.077 0.000 0.283 178 A C 0.526 178.216 177.584 0.176 0.000 1.127 178 A CA -0.070 52.102 52.037 0.225 0.000 0.810 178 A CB 0.638 19.714 19.000 0.126 0.000 1.066 178 A HN 0.977 nan 8.150 nan 0.000 0.492 179 T N -0.032 114.638 114.554 0.192 0.000 2.934 179 T HA 0.534 4.838 4.350 -0.077 0.000 0.283 179 T C -2.123 172.598 174.700 0.035 0.000 1.005 179 T CA -1.764 60.392 62.100 0.092 0.000 1.041 179 T CB 1.252 70.169 68.868 0.082 0.000 1.042 179 T HN 0.256 nan 8.240 nan 0.000 0.505 180 P HA -0.083 nan 4.420 nan 0.000 0.218 180 P C 1.405 178.664 177.300 -0.068 0.000 1.148 180 P CA 0.996 64.044 63.100 -0.088 0.000 0.822 180 P CB 0.055 31.718 31.700 -0.062 0.000 0.784 181 Q N -0.728 119.062 119.800 -0.017 0.000 2.123 181 Q HA -0.123 4.172 4.340 -0.077 0.000 0.199 181 Q C 2.259 178.269 176.000 0.015 0.000 0.966 181 Q CA 1.439 57.236 55.803 -0.009 0.000 0.845 181 Q CB -0.795 27.945 28.738 0.003 0.000 0.907 181 Q HN 0.402 nan 8.270 nan 0.000 0.439 182 Q N -0.393 119.449 119.800 0.070 0.000 2.119 182 Q HA -0.062 4.232 4.340 -0.077 0.000 0.201 182 Q C 2.047 178.154 176.000 0.179 0.000 0.972 182 Q CA 1.200 57.089 55.803 0.143 0.000 0.847 182 Q CB -0.210 28.695 28.738 0.278 0.000 0.903 182 Q HN 0.423 nan 8.270 nan 0.000 0.433 183 A N 0.992 123.887 122.820 0.124 0.000 1.858 183 A HA -0.289 3.985 4.320 -0.077 0.000 0.216 183 A C 2.076 179.625 177.584 -0.057 0.000 1.190 183 A CA 1.795 53.873 52.037 0.067 0.000 0.617 183 A CB -0.691 18.097 19.000 -0.354 0.000 0.827 183 A HN 0.290 nan 8.150 nan 0.000 0.443 184 Q N 0.254 119.976 119.800 -0.131 0.000 2.112 184 Q HA -0.236 4.058 4.340 -0.077 0.000 0.206 184 Q C 1.906 177.892 176.000 -0.024 0.000 0.987 184 Q CA 2.525 58.261 55.803 -0.113 0.000 0.858 184 Q CB -0.506 28.173 28.738 -0.099 0.000 0.905 184 Q HN 0.761 nan 8.270 nan 0.000 0.420 185 E N -1.038 119.155 120.200 -0.012 0.000 2.085 185 E HA -0.229 4.075 4.350 -0.077 0.000 0.194 185 E C 1.698 178.279 176.600 -0.030 0.000 0.994 185 E CA 1.242 57.635 56.400 -0.012 0.000 0.801 185 E CB -0.285 29.409 29.700 -0.010 0.000 0.743 185 E HN 0.484 nan 8.360 nan 0.000 0.453 186 A N 0.456 123.240 122.820 -0.059 0.000 1.897 186 A HA -0.160 4.114 4.320 -0.077 0.000 0.215 186 A C 1.922 179.411 177.584 -0.159 0.000 1.181 186 A CA 1.393 53.283 52.037 -0.245 0.000 0.620 186 A CB -0.821 17.745 19.000 -0.724 0.000 0.821 186 A HN 0.406 nan 8.150 nan 0.000 0.443 187 H N -0.692 118.270 119.070 -0.179 0.000 2.387 187 H HA -0.078 4.436 4.556 -0.071 0.000 0.299 187 H C 2.528 177.831 175.328 -0.042 0.000 1.090 187 H CA 0.994 57.000 56.048 -0.070 0.000 1.332 187 H CB 0.034 29.788 29.762 -0.013 0.000 1.386 187 H HN 0.566 nan 8.280 nan 0.000 0.516 188 A N 1.576 124.445 122.820 0.081 0.000 1.898 188 A HA -0.139 4.135 4.320 -0.077 0.000 0.216 188 A C 2.459 180.061 177.584 0.031 0.000 1.181 188 A CA 1.471 53.533 52.037 0.040 0.000 0.620 188 A CB -0.667 18.343 19.000 0.016 0.000 0.819 188 A HN 0.399 nan 8.150 nan 0.000 0.442 189 L N -1.779 119.451 121.223 0.011 0.000 2.201 189 L HA 0.044 4.338 4.340 -0.077 0.000 0.212 189 L C 2.061 178.968 176.870 0.062 0.000 1.105 189 L CA 1.488 56.343 54.840 0.026 0.000 0.775 189 L CB -0.657 41.401 42.059 -0.001 0.000 0.913 189 L HN 0.279 nan 8.230 nan 0.000 0.440 190 I N -0.165 120.421 120.570 0.026 0.000 2.202 190 I HA -0.197 3.928 4.170 -0.077 0.000 0.242 190 I C 2.973 179.169 176.117 0.131 0.000 1.091 190 I CA 1.388 62.724 61.300 0.060 0.000 1.368 190 I CB -0.311 37.684 38.000 -0.008 0.000 1.058 190 I HN 0.277 nan 8.210 nan 0.000 0.410 191 R N 0.286 120.836 120.500 0.083 0.000 2.096 191 R HA -0.177 4.117 4.340 -0.077 0.000 0.235 191 R C 2.541 178.878 176.300 0.063 0.000 1.127 191 R CA 1.668 57.811 56.100 0.071 0.000 0.968 191 R CB -0.195 30.134 30.300 0.048 0.000 0.861 191 R HN 0.224 nan 8.270 nan 0.000 0.440 192 S N -0.441 115.300 115.700 0.068 0.000 2.382 192 S HA -0.198 4.226 4.470 -0.077 0.000 0.228 192 S C 1.540 176.179 174.600 0.066 0.000 1.027 192 S CA 1.318 59.546 58.200 0.046 0.000 0.991 192 S CB -0.332 62.894 63.200 0.044 0.000 0.823 192 S HN 0.617 nan 8.310 nan 0.000 0.469 193 W N 1.543 122.815 121.300 -0.047 0.000 2.381 193 W HA -0.080 4.507 4.660 -0.122 0.000 0.301 193 W C 1.935 178.400 176.519 -0.090 0.000 1.205 193 W CA 1.407 58.722 57.345 -0.049 0.000 1.285 193 W CB -0.458 28.987 29.460 -0.025 0.000 1.133 193 W HN 0.094 nan 8.180 nan 0.000 0.521 194 V N 0.019 120.042 119.914 0.182 0.000 2.343 194 V HA -0.322 3.752 4.120 -0.077 0.000 0.247 194 V C 2.447 178.371 176.094 -0.283 0.000 1.051 194 V CA 2.136 64.377 62.300 -0.098 0.000 1.036 194 V CB -1.392 30.397 31.823 -0.056 0.000 0.654 194 V HN 0.315 nan 8.190 nan 0.000 0.451 195 S N -0.135 115.464 115.700 -0.170 0.000 2.370 195 S HA -0.201 4.223 4.470 -0.077 0.000 0.226 195 S C 2.188 176.652 174.600 -0.226 0.000 1.033 195 S CA 2.209 60.307 58.200 -0.170 0.000 1.011 195 S CB -0.232 62.909 63.200 -0.099 0.000 0.852 195 S HN 0.662 nan 8.310 nan 0.000 0.457 196 S N 0.724 116.264 115.700 -0.267 0.000 2.395 196 S HA 0.126 4.550 4.470 -0.077 0.000 0.225 196 S C 1.855 176.221 174.600 -0.390 0.000 1.027 196 S CA 0.535 58.567 58.200 -0.281 0.000 0.965 196 S CB -0.088 62.962 63.200 -0.248 0.000 0.812 196 S HN 0.399 nan 8.310 nan 0.000 0.482 197 K N 0.480 120.495 120.400 -0.641 0.000 2.284 197 K HA 0.279 4.553 4.320 -0.077 0.000 0.198 197 K C 1.433 177.705 176.600 -0.547 0.000 1.048 197 K CA 0.506 56.354 56.287 -0.733 0.000 0.987 197 K CB 0.034 31.668 32.500 -1.443 0.000 0.800 197 K HN 0.331 nan 8.250 nan 0.000 0.486 198 I N -0.891 119.349 120.570 -0.550 0.000 3.443 198 I HA 0.195 4.320 4.170 -0.077 0.000 0.277 198 I C 0.871 176.788 176.117 -0.333 0.000 1.169 198 I CA 0.497 61.517 61.300 -0.468 0.000 1.419 198 I CB -0.211 37.339 38.000 -0.751 0.000 1.331 198 I HN 0.071 nan 8.210 nan 0.000 0.458 199 G N 0.109 108.725 108.800 -0.307 0.000 2.322 199 G HA2 0.325 4.239 3.960 -0.077 0.000 0.289 199 G HA3 0.325 4.239 3.960 -0.077 0.000 0.289 199 G C 0.252 175.048 174.900 -0.173 0.000 1.687 199 G CA -0.163 44.814 45.100 -0.204 0.000 0.944 199 G HN 0.177 nan 8.290 nan 0.000 0.718 200 A N 0.742 123.488 122.820 -0.123 0.000 2.015 200 A HA 0.074 4.348 4.320 -0.077 0.000 0.219 200 A C 2.101 179.643 177.584 -0.069 0.000 1.163 200 A CA 2.471 54.454 52.037 -0.090 0.000 0.646 200 A CB -0.386 18.573 19.000 -0.069 0.000 0.806 200 A HN 0.985 nan 8.150 nan 0.000 0.448 201 D N 0.161 120.521 120.400 -0.067 0.000 2.097 201 D HA -0.119 4.475 4.640 -0.077 0.000 0.197 201 D C 1.769 178.045 176.300 -0.040 0.000 0.984 201 D CA 1.562 55.536 54.000 -0.042 0.000 0.826 201 D CB -1.127 39.654 40.800 -0.032 0.000 0.973 201 D HN 0.213 nan 8.370 nan 0.000 0.460 202 V N 1.564 121.431 119.914 -0.078 0.000 2.295 202 V HA -0.214 3.860 4.120 -0.077 0.000 0.246 202 V C 2.895 178.949 176.094 -0.067 0.000 1.049 202 V CA 1.960 64.210 62.300 -0.084 0.000 1.024 202 V CB -1.070 30.614 31.823 -0.230 0.000 0.648 202 V HN 0.394 nan 8.190 nan 0.000 0.447 203 A N 0.587 123.345 122.820 -0.102 0.000 1.908 203 A HA -0.158 4.116 4.320 -0.077 0.000 0.218 203 A C 2.414 179.994 177.584 -0.007 0.000 1.181 203 A CA 2.118 54.121 52.037 -0.057 0.000 0.627 203 A CB -1.270 17.689 19.000 -0.070 0.000 0.818 203 A HN 0.554 nan 8.150 nan 0.000 0.445 204 G N -1.014 107.780 108.800 -0.010 0.000 2.422 204 G HA2 -0.114 3.800 3.960 -0.077 0.000 0.218 204 G HA3 -0.114 3.800 3.960 -0.077 0.000 0.218 204 G C 1.301 176.219 174.900 0.030 0.000 1.140 204 G CA 0.946 46.051 45.100 0.008 0.000 0.775 204 G HN 0.500 nan 8.290 nan 0.000 0.545 205 E N -0.578 119.646 120.200 0.041 0.000 2.452 205 E HA 0.119 4.423 4.350 -0.077 0.000 0.197 205 E C 0.658 177.315 176.600 0.094 0.000 1.022 205 E CA -0.480 55.959 56.400 0.065 0.000 0.890 205 E CB 0.124 29.864 29.700 0.066 0.000 0.918 205 E HN 0.358 nan 8.360 nan 0.000 0.496 206 L N 2.180 123.464 121.223 0.102 0.000 2.410 206 L HA 0.126 4.420 4.340 -0.077 0.000 0.273 206 L C -0.196 176.754 176.870 0.134 0.000 1.144 206 L CA -0.091 54.838 54.840 0.149 0.000 0.863 206 L CB 0.431 42.594 42.059 0.174 0.000 1.140 206 L HN -0.300 nan 8.230 nan 0.000 0.463 207 R N 5.667 126.257 120.500 0.150 0.000 2.298 207 R HA 0.494 4.788 4.340 -0.077 0.000 0.310 207 R C -0.799 175.583 176.300 0.137 0.000 1.068 207 R CA 0.150 56.336 56.100 0.143 0.000 0.957 207 R CB 0.359 30.758 30.300 0.166 0.000 1.003 207 R HN 0.633 nan 8.270 nan 0.000 0.454 208 I N 5.473 126.112 120.570 0.115 0.000 2.382 208 I HA 0.265 4.389 4.170 -0.077 0.000 0.285 208 I C -0.392 175.797 176.117 0.120 0.000 1.007 208 I CA -0.555 60.782 61.300 0.060 0.000 1.142 208 I CB 0.877 38.856 38.000 -0.035 0.000 1.289 208 I HN 0.287 nan 8.210 nan 0.000 0.453 209 L N 5.629 126.929 121.223 0.128 0.000 2.343 209 L HA 0.387 4.681 4.340 -0.077 0.000 0.275 209 L C -0.540 176.540 176.870 0.350 0.000 1.056 209 L CA -0.911 54.052 54.840 0.205 0.000 0.804 209 L CB 0.985 43.148 42.059 0.175 0.000 1.203 209 L HN 0.439 nan 8.230 nan 0.000 0.440 210 Y N 0.818 121.280 120.300 0.269 0.000 2.336 210 Y HA 0.404 4.907 4.550 -0.077 0.000 0.335 210 Y C 0.818 176.906 175.900 0.313 0.000 1.046 210 Y CA -0.675 57.657 58.100 0.387 0.000 1.198 210 Y CB 1.540 40.157 38.460 0.263 0.000 1.182 210 Y HN 0.593 nan 8.280 nan 0.000 0.502 211 G N 3.948 112.532 108.800 -0.360 0.000 3.690 211 G HA2 0.361 4.275 3.960 -0.077 0.000 0.283 211 G HA3 0.361 4.275 3.960 -0.077 0.000 0.283 211 G C 0.351 174.928 174.900 -0.538 0.000 1.057 211 G CA 0.165 45.080 45.100 -0.309 0.000 0.821 211 G HN 0.996 nan 8.290 nan 0.000 0.526 212 G N -0.082 108.044 108.800 -1.123 0.000 2.606 212 G HA2 0.430 4.344 3.960 -0.077 0.000 0.262 212 G HA3 0.430 4.344 3.960 -0.077 0.000 0.262 212 G C -0.007 174.790 174.900 -0.173 0.000 1.394 212 G CA -0.354 44.360 45.100 -0.643 0.000 1.044 212 G HN 0.136 nan 8.290 nan 0.000 0.553 213 S N -0.902 114.794 115.700 -0.006 0.000 2.546 213 S HA 0.344 4.768 4.470 -0.077 0.000 0.290 213 S C -0.147 174.564 174.600 0.186 0.000 1.262 213 S CA -0.047 58.195 58.200 0.069 0.000 1.083 213 S CB 0.179 63.402 63.200 0.037 0.000 0.859 213 S HN 0.482 nan 8.310 nan 0.000 0.495 214 V N 5.472 125.454 119.914 0.113 0.000 2.888 214 V HA 0.594 4.668 4.120 -0.077 0.000 0.309 214 V C -0.131 175.954 176.094 -0.015 0.000 1.114 214 V CA -1.028 61.310 62.300 0.065 0.000 0.940 214 V CB 2.108 33.939 31.823 0.013 0.000 1.021 214 V HN 1.025 nan 8.190 nan 0.000 0.426 215 N N 1.337 120.006 118.700 -0.052 0.000 3.243 215 N HA 0.367 5.061 4.740 -0.077 0.000 0.280 215 N C 0.853 176.314 175.510 -0.082 0.000 1.545 215 N CA -0.318 52.701 53.050 -0.051 0.000 0.854 215 N CB 1.798 40.278 38.487 -0.012 0.000 1.612 215 N HN 0.611 nan 8.380 nan 0.000 0.577 216 G N -0.116 108.651 108.800 -0.056 0.000 2.470 216 G HA2 -0.206 3.708 3.960 -0.077 0.000 0.220 216 G HA3 -0.206 3.708 3.960 -0.077 0.000 0.220 216 G C 1.033 175.909 174.900 -0.040 0.000 1.121 216 G CA 0.896 45.962 45.100 -0.057 0.000 0.766 216 G HN 0.513 nan 8.290 nan 0.000 0.553 217 K N 0.959 121.344 120.400 -0.026 0.000 2.167 217 K HA 0.011 4.285 4.320 -0.077 0.000 0.203 217 K C 1.920 178.515 176.600 -0.008 0.000 1.052 217 K CA 1.297 57.577 56.287 -0.012 0.000 0.956 217 K CB 0.019 32.517 32.500 -0.003 0.000 0.735 217 K HN 0.493 nan 8.250 nan 0.000 0.451 218 N N -0.593 118.100 118.700 -0.013 0.000 2.210 218 N HA 0.178 4.873 4.740 -0.077 0.000 0.203 218 N C 1.352 176.869 175.510 0.012 0.000 1.175 218 N CA 0.534 53.587 53.050 0.005 0.000 0.894 218 N CB -0.008 38.490 38.487 0.018 0.000 1.041 218 N HN 0.018 nan 8.380 nan 0.000 0.506 219 A N 1.831 124.613 122.820 -0.063 0.000 1.865 219 A HA -0.154 4.120 4.320 -0.077 0.000 0.217 219 A C 2.326 179.980 177.584 0.117 0.000 1.191 219 A CA 1.726 53.670 52.037 -0.155 0.000 0.623 219 A CB -0.764 17.972 19.000 -0.440 0.000 0.826 219 A HN 0.336 nan 8.150 nan 0.000 0.444 220 R N -1.077 119.457 120.500 0.057 0.000 2.096 220 R HA -0.115 4.179 4.340 -0.077 0.000 0.235 220 R C 2.196 178.582 176.300 0.143 0.000 1.127 220 R CA 2.020 58.185 56.100 0.108 0.000 0.968 220 R CB -0.529 29.791 30.300 0.034 0.000 0.861 220 R HN 0.538 nan 8.270 nan 0.000 0.440 221 T N 1.120 115.729 114.554 0.091 0.000 2.737 221 T HA -0.100 4.204 4.350 -0.077 0.000 0.265 221 T C 1.755 176.496 174.700 0.069 0.000 1.038 221 T CA 1.279 63.417 62.100 0.063 0.000 1.144 221 T CB -0.125 68.761 68.868 0.030 0.000 0.866 221 T HN 0.154 nan 8.240 nan 0.000 0.434 222 L N -0.374 120.914 121.223 0.109 0.000 2.042 222 L HA -0.114 4.180 4.340 -0.077 0.000 0.210 222 L C 2.356 179.272 176.870 0.077 0.000 1.076 222 L CA 1.528 56.410 54.840 0.069 0.000 0.749 222 L CB -0.539 41.623 42.059 0.171 0.000 0.893 222 L HN 0.265 nan 8.230 nan 0.000 0.432 223 Y N 0.522 120.918 120.300 0.160 0.000 2.333 223 Y HA -0.233 4.270 4.550 -0.078 0.000 0.290 223 Y C 2.588 178.489 175.900 0.001 0.000 1.144 223 Y CA 1.145 59.284 58.100 0.064 0.000 1.228 223 Y CB 0.020 38.585 38.460 0.175 0.000 0.985 223 Y HN 0.228 nan 8.280 nan 0.000 0.542 224 Q N 0.198 120.029 119.800 0.052 0.000 2.291 224 Q HA -0.104 4.190 4.340 -0.077 0.000 0.205 224 Q C 0.428 176.359 176.000 -0.115 0.000 0.970 224 Q CA 0.704 56.498 55.803 -0.015 0.000 0.876 224 Q CB -0.426 28.329 28.738 0.028 0.000 0.935 224 Q HN 0.498 nan 8.270 nan 0.000 0.455 225 Q N 0.796 120.504 119.800 -0.154 0.000 2.361 225 Q HA -0.020 4.274 4.340 -0.077 0.000 0.276 225 Q C 1.126 177.010 176.000 -0.192 0.000 1.022 225 Q CA 0.233 55.937 55.803 -0.164 0.000 0.898 225 Q CB 0.464 29.083 28.738 -0.198 0.000 1.246 225 Q HN 0.221 nan 8.270 nan 0.000 0.410 226 R N 1.908 122.331 120.500 -0.127 0.000 2.117 226 R HA -0.165 4.129 4.340 -0.077 0.000 0.243 226 R C 0.006 176.244 176.300 -0.104 0.000 1.143 226 R CA 1.665 57.703 56.100 -0.103 0.000 0.968 226 R CB 0.375 30.639 30.300 -0.060 0.000 0.863 226 R HN 0.578 nan 8.270 nan 0.000 0.444 227 D N -0.029 120.319 120.400 -0.087 0.000 2.462 227 D HA 0.101 4.695 4.640 -0.077 0.000 0.221 227 D C -0.781 175.556 176.300 0.061 0.000 1.173 227 D CA 0.043 54.041 54.000 -0.002 0.000 0.831 227 D CB 1.062 41.901 40.800 0.065 0.000 1.001 227 D HN -0.027 nan 8.370 nan 0.000 0.499 228 V N 1.436 121.267 119.914 -0.139 0.000 2.370 228 V HA 0.200 4.274 4.120 -0.077 0.000 0.279 228 V C 0.503 176.438 176.094 -0.264 0.000 1.029 228 V CA -0.445 61.749 62.300 -0.177 0.000 0.870 228 V CB 1.434 33.005 31.823 -0.420 0.000 0.984 228 V HN 0.008 nan 8.190 nan 0.000 0.451 229 N N 3.356 122.029 118.700 -0.046 0.000 2.235 229 N HA 0.536 5.230 4.740 -0.077 0.000 0.231 229 N C 0.414 176.037 175.510 0.188 0.000 1.177 229 N CA 0.351 53.429 53.050 0.048 0.000 0.874 229 N CB 1.187 39.734 38.487 0.100 0.000 1.097 229 N HN 0.940 nan 8.380 nan 0.000 0.518 230 G N 0.158 108.968 108.800 0.017 0.000 2.278 230 G HA2 0.088 4.002 3.960 -0.077 0.000 0.265 230 G HA3 0.088 4.002 3.960 -0.077 0.000 0.265 230 G C -1.930 172.661 174.900 -0.515 0.000 1.329 230 G CA -1.019 44.011 45.100 -0.116 0.000 1.017 230 G HN 0.031 nan 8.290 nan 0.000 0.472 231 F N -0.879 119.232 119.950 0.268 0.000 2.601 231 F HA 0.722 5.205 4.527 -0.074 0.000 0.309 231 F C -0.345 175.591 175.800 0.227 0.000 1.089 231 F CA -0.751 57.411 58.000 0.271 0.000 0.940 231 F CB 2.305 41.458 39.000 0.256 0.000 1.273 231 F HN 0.474 nan 8.300 nan 0.000 0.450 232 L N 2.936 124.376 121.223 0.362 0.000 2.324 232 L HA 0.888 5.182 4.340 -0.077 0.000 0.274 232 L C -0.607 176.397 176.870 0.223 0.000 1.012 232 L CA -0.161 54.830 54.840 0.251 0.000 0.859 232 L CB 0.252 42.427 42.059 0.193 0.000 1.224 232 L HN 0.716 nan 8.230 nan 0.000 0.429 233 A N 3.011 125.957 122.820 0.210 0.000 2.389 233 A HA 0.930 5.204 4.320 -0.077 0.000 0.293 233 A C 0.214 177.829 177.584 0.052 0.000 1.186 233 A CA -0.220 51.916 52.037 0.165 0.000 0.828 233 A CB 0.532 19.692 19.000 0.267 0.000 1.369 233 A HN 0.749 nan 8.150 nan 0.000 0.446 239 K N 3.799 124.319 120.400 0.200 0.000 2.533 239 K HA 0.637 4.911 4.320 -0.077 0.000 0.272 239 K C -2.268 174.497 176.600 0.274 0.000 0.985 239 K CA -1.601 54.792 56.287 0.178 0.000 0.876 239 K CB 2.137 34.709 32.500 0.120 0.000 1.452 239 K HN -0.020 nan 8.250 nan 0.000 0.439 240 P HA -0.241 nan 4.420 nan 0.000 0.216 240 P C 0.558 177.993 177.300 0.226 0.000 1.153 240 P CA 1.371 64.577 63.100 0.177 0.000 0.858 240 P CB 0.206 31.957 31.700 0.084 0.000 0.789 241 E N -1.136 119.168 120.200 0.173 0.000 2.472 241 E HA -0.164 4.140 4.350 -0.077 0.000 0.200 241 E C 1.679 178.375 176.600 0.161 0.000 1.046 241 E CA 0.481 56.958 56.400 0.127 0.000 0.871 241 E CB -1.260 28.484 29.700 0.073 0.000 0.806 241 E HN 0.286 nan 8.360 nan 0.000 0.533 242 F N 2.255 122.278 119.950 0.121 0.000 2.202 242 F HA -0.188 4.293 4.527 -0.078 0.000 0.301 242 F C 1.970 177.783 175.800 0.021 0.000 1.082 242 F CA 0.781 58.825 58.000 0.075 0.000 1.313 242 F CB -0.093 38.996 39.000 0.149 0.000 1.024 242 F HN -0.162 nan 8.300 nan 0.000 0.495 243 V N 0.354 120.306 119.914 0.064 0.000 2.332 243 V HA -0.323 3.751 4.120 -0.077 0.000 0.248 243 V C 2.084 178.098 176.094 -0.134 0.000 1.055 243 V CA 2.262 64.534 62.300 -0.048 0.000 1.038 243 V CB -0.705 31.189 31.823 0.118 0.000 0.651 243 V HN 0.266 nan 8.190 nan 0.000 0.450 244 D N -0.240 120.109 120.400 -0.084 0.000 2.178 244 D HA -0.063 4.531 4.640 -0.077 0.000 0.202 244 D C 2.071 178.259 176.300 -0.186 0.000 0.974 244 D CA 1.074 55.013 54.000 -0.102 0.000 0.841 244 D CB -0.108 40.657 40.800 -0.058 0.000 0.953 244 D HN 0.406 nan 8.370 nan 0.000 0.478 245 I N 0.818 121.228 120.570 -0.266 0.000 2.179 245 I HA -0.225 3.899 4.170 -0.077 0.000 0.242 245 I C 2.390 178.287 176.117 -0.366 0.000 1.088 245 I CA 0.679 61.751 61.300 -0.381 0.000 1.357 245 I CB -0.126 37.659 38.000 -0.358 0.000 1.051 245 I HN -0.060 nan 8.210 nan 0.000 0.409 246 I N 0.861 121.104 120.570 -0.545 0.000 2.118 246 I HA -0.363 3.761 4.170 -0.077 0.000 0.241 246 I C 2.398 178.429 176.117 -0.144 0.000 1.070 246 I CA 1.759 62.811 61.300 -0.413 0.000 1.327 246 I CB -0.523 37.162 38.000 -0.525 0.000 1.034 246 I HN 0.195 nan 8.210 nan 0.000 0.405 247 K N 0.858 121.182 120.400 -0.127 0.000 2.280 247 K HA -0.080 4.194 4.320 -0.077 0.000 0.202 247 K C 2.038 178.546 176.600 -0.152 0.000 1.047 247 K CA 1.212 57.459 56.287 -0.066 0.000 0.942 247 K CB -0.228 32.234 32.500 -0.063 0.000 0.739 247 K HN 0.347 nan 8.250 nan 0.000 0.457 248 A N 1.530 124.259 122.820 -0.152 0.000 2.168 248 A HA -0.073 4.201 4.320 -0.077 0.000 0.215 248 A C 1.670 179.107 177.584 -0.245 0.000 1.152 248 A CA 1.268 53.227 52.037 -0.130 0.000 0.716 248 A CB -0.635 18.309 19.000 -0.094 0.000 0.794 248 A HN 0.369 nan 8.150 nan 0.000 0.465 249 T N -0.505 113.832 114.554 -0.362 0.000 3.418 249 T HA 0.341 4.645 4.350 -0.077 0.000 0.239 249 T C 0.243 174.406 174.700 -0.894 0.000 0.905 249 T CA -0.257 61.333 62.100 -0.849 0.000 0.929 249 T CB -0.777 67.884 68.868 -0.346 0.000 1.121 249 T HN 0.695 nan 8.240 nan 0.000 0.608 250 Q N 0.000 119.383 119.800 -0.695 0.000 2.315 250 Q HA 0.000 4.294 4.340 -0.077 0.000 0.214 250 Q CA 0.000 55.567 55.803 -0.394 0.000 1.022 250 Q CB 0.000 28.445 28.738 -0.488 0.000 1.108 250 Q HN 0.000 nan 8.270 nan 0.000 0.481