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 2zjr_1_S DATA FIRST_RESID 1 DATA SEQUENCE MELTAKPRTP KQKLDESMIA AVAYNKENNV SFALDRKAFD RAFRQQSTTG DATA SEQUENCE LFDITVEGGE TFPALVKAVQ MDKRKRAPIH VDFYMVTYGE PVEVSVPVHT DATA SEQUENCE TGRSQGEVQG GLVDIVVHNL QIVAPGPRRI PQELVVDVTK MNIGDHITAG DATA SEQUENCE DIKLPEGCTL AADPELTVVS VLPPR 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.302 176.300 0.004 0.000 1.140 1 M CA 0.000 55.400 55.300 0.167 0.000 0.988 1 M CB 0.000 32.751 32.600 0.252 0.000 1.302 2 E N 1.701 121.899 120.200 -0.003 0.000 2.352 2 E HA 0.062 4.412 4.350 -0.000 0.000 0.197 2 E C 0.241 176.810 176.600 -0.052 0.000 1.224 2 E CA -0.318 56.055 56.400 -0.045 0.000 1.118 2 E CB 0.169 29.853 29.700 -0.026 0.000 1.198 2 E HN 0.471 nan 8.360 nan 0.000 0.454 3 L N 0.866 122.042 121.223 -0.078 0.000 2.667 3 L HA -0.142 4.198 4.340 -0.000 0.000 0.296 3 L C 1.050 177.898 176.870 -0.036 0.000 1.252 3 L CA 1.420 56.216 54.840 -0.074 0.000 0.891 3 L CB 0.727 42.675 42.059 -0.184 0.000 1.141 3 L HN 0.099 nan 8.230 nan 0.000 0.501 4 T N 1.907 116.465 114.554 0.008 0.000 3.058 4 T HA 0.572 4.922 4.350 -0.000 0.000 0.247 4 T C 0.760 175.495 174.700 0.059 0.000 0.987 4 T CA 0.367 62.481 62.100 0.024 0.000 1.062 4 T CB -0.237 68.638 68.868 0.011 0.000 1.048 4 T HN 0.934 nan 8.240 nan 0.000 0.468 5 A N 1.830 124.689 122.820 0.066 0.000 2.274 5 A HA 0.767 5.087 4.320 -0.000 0.000 0.297 5 A C 0.003 177.659 177.584 0.120 0.000 1.191 5 A CA -0.444 51.636 52.037 0.072 0.000 0.889 5 A CB 0.503 19.533 19.000 0.050 0.000 1.294 5 A HN 0.680 nan 8.150 nan 0.000 0.506 6 K N -1.403 119.045 120.400 0.080 0.000 3.460 6 K HA 0.175 4.495 4.320 -0.000 0.000 0.151 6 K C -3.395 173.210 176.600 0.008 0.000 1.214 6 K CA -0.640 55.685 56.287 0.064 0.000 0.746 6 K CB 0.178 32.689 32.500 0.018 0.000 0.933 6 K HN 0.496 nan 8.250 nan 0.000 0.424 7 P HA 0.424 nan 4.420 nan 0.000 0.290 7 P C -0.048 177.261 177.300 0.015 0.000 1.307 7 P CA -0.740 62.365 63.100 0.008 0.000 0.948 7 P CB 1.961 33.667 31.700 0.010 0.000 1.312 8 R N -0.788 119.716 120.500 0.007 0.000 2.120 8 R HA 0.019 4.359 4.340 -0.000 0.000 0.234 8 R C 0.360 176.669 176.300 0.014 0.000 1.123 8 R CA 1.289 57.395 56.100 0.010 0.000 0.975 8 R CB -0.671 29.630 30.300 0.002 0.000 0.866 8 R HN 0.558 nan 8.270 nan 0.000 0.446 9 T N 1.925 116.487 114.554 0.013 0.000 2.743 9 T HA 0.189 4.539 4.350 -0.000 0.000 0.293 9 T C -1.903 172.808 174.700 0.019 0.000 0.945 9 T CA -1.288 60.820 62.100 0.013 0.000 1.030 9 T CB 1.883 70.757 68.868 0.010 0.000 0.912 9 T HN 0.111 nan 8.240 nan 0.000 0.483 10 P HA 0.302 nan 4.420 nan 0.000 0.290 10 P C 0.906 178.217 177.300 0.019 0.000 1.447 10 P CA -0.260 62.854 63.100 0.024 0.000 1.127 10 P CB 0.605 32.322 31.700 0.029 0.000 1.555 11 K N 1.838 122.247 120.400 0.015 0.000 2.089 11 K HA -0.163 4.157 4.320 -0.000 0.000 0.210 11 K C 1.192 177.800 176.600 0.013 0.000 1.048 11 K CA 1.620 57.914 56.287 0.012 0.000 0.926 11 K CB -0.935 31.571 32.500 0.010 0.000 0.714 11 K HN 0.211 nan 8.250 nan 0.000 0.448 12 Q N 0.602 120.411 119.800 0.014 0.000 3.159 12 Q HA 0.058 4.398 4.340 -0.000 0.000 0.280 12 Q C -0.158 175.852 176.000 0.018 0.000 1.403 12 Q CA 0.306 56.118 55.803 0.015 0.000 0.957 12 Q CB -0.044 28.702 28.738 0.015 0.000 1.729 12 Q HN 0.462 nan 8.270 nan 0.000 0.551 13 K N -2.284 118.126 120.400 0.017 0.000 1.326 13 K HA -0.097 4.223 4.320 -0.000 0.000 0.093 13 K C 0.902 177.512 176.600 0.016 0.000 2.487 13 K CA -0.207 56.091 56.287 0.018 0.000 1.057 13 K CB -1.015 31.498 32.500 0.021 0.000 2.770 13 K HN 0.138 nan 8.250 nan 0.000 0.335 14 L N 2.058 123.290 121.223 0.016 0.000 2.081 14 L HA -0.188 4.152 4.340 -0.000 0.000 0.212 14 L C 1.520 178.398 176.870 0.013 0.000 1.080 14 L CA 2.303 57.152 54.840 0.015 0.000 0.754 14 L CB -0.615 41.453 42.059 0.014 0.000 0.893 14 L HN 0.322 nan 8.230 nan 0.000 0.433 15 D N -1.033 119.375 120.400 0.013 0.000 2.213 15 D HA -0.059 4.581 4.640 -0.000 0.000 0.205 15 D C 0.382 176.690 176.300 0.013 0.000 0.961 15 D CA 0.697 54.704 54.000 0.012 0.000 0.853 15 D CB 0.210 41.016 40.800 0.011 0.000 0.967 15 D HN 0.228 nan 8.370 nan 0.000 0.496 16 E N 0.437 120.646 120.200 0.015 0.000 2.014 16 E HA 0.193 4.543 4.350 -0.000 0.000 0.275 16 E C -0.495 176.116 176.600 0.018 0.000 0.997 16 E CA -0.366 56.044 56.400 0.016 0.000 0.804 16 E CB 1.035 30.744 29.700 0.016 0.000 1.090 16 E HN 0.024 nan 8.360 nan 0.000 0.401 17 S N 4.346 120.058 115.700 0.020 0.000 3.864 17 S HA -0.197 4.273 4.470 -0.000 0.000 0.350 17 S C 0.175 174.790 174.600 0.026 0.000 0.583 17 S CA 0.437 58.652 58.200 0.024 0.000 1.690 17 S CB -0.592 62.625 63.200 0.028 0.000 1.356 17 S HN 0.396 nan 8.310 nan 0.000 0.468 18 M N 3.796 123.408 119.600 0.020 0.000 2.255 18 M HA 0.380 4.860 4.480 -0.000 0.000 0.275 18 M C -0.165 176.133 176.300 -0.004 0.000 1.050 18 M CA -0.693 54.617 55.300 0.016 0.000 0.978 18 M CB 1.705 34.316 32.600 0.018 0.000 1.761 18 M HN 0.324 nan 8.290 nan 0.000 0.479 19 I N 1.698 122.250 120.570 -0.030 0.000 2.926 19 I HA 0.624 4.794 4.170 -0.000 0.000 0.198 19 I C 0.758 176.830 176.117 -0.074 0.000 1.339 19 I CA -0.324 60.916 61.300 -0.100 0.000 0.659 19 I CB 0.009 37.849 38.000 -0.267 0.000 1.805 19 I HN 0.797 nan 8.210 nan 0.000 0.995 20 A N 0.113 122.862 122.820 -0.118 0.000 2.483 20 A HA 0.688 5.008 4.320 -0.000 0.000 0.298 20 A C -0.600 176.929 177.584 -0.091 0.000 1.052 20 A CA -0.090 51.929 52.037 -0.029 0.000 0.978 20 A CB 0.224 19.255 19.000 0.052 0.000 1.506 20 A HN 0.878 nan 8.150 nan 0.000 0.388 21 A N 1.144 123.921 122.820 -0.072 0.000 2.468 21 A HA 1.012 5.332 4.320 -0.000 0.000 0.277 21 A C -0.016 177.686 177.584 0.196 0.000 1.203 21 A CA -0.142 51.835 52.037 -0.099 0.000 0.932 21 A CB 1.111 20.183 19.000 0.119 0.000 1.438 21 A HN 2.233 nan 8.150 nan 0.000 0.468 22 V N -4.445 115.662 119.914 0.321 0.000 3.048 22 V HA 0.890 5.010 4.120 -0.000 0.000 0.303 22 V C -0.447 175.960 176.094 0.523 0.000 1.214 22 V CA -0.192 62.438 62.300 0.551 0.000 0.984 22 V CB 0.876 32.968 31.823 0.450 0.000 1.054 22 V HN 2.101 nan 8.190 nan 0.000 0.430 23 A N 2.783 125.998 122.820 0.658 0.000 2.479 23 A HA 1.155 5.475 4.320 -0.000 0.000 0.296 23 A C -0.954 176.812 177.584 0.303 0.000 1.121 23 A CA -0.275 51.973 52.037 0.350 0.000 0.743 23 A CB 2.058 21.284 19.000 0.378 0.000 1.323 23 A HN 2.423 nan 8.150 nan 0.000 0.415 24 Y N -2.133 118.266 120.300 0.165 0.000 2.949 24 Y HA 0.529 5.079 4.550 -0.000 0.000 0.347 24 Y C -0.138 175.657 175.900 -0.174 0.000 1.463 24 Y CA -0.375 57.746 58.100 0.035 0.000 1.106 24 Y CB 0.136 38.654 38.460 0.097 0.000 2.479 24 Y HN 0.740 nan 8.280 nan 0.000 0.389 25 N N -0.899 117.967 118.700 0.276 0.000 2.493 25 N HA 0.075 4.815 4.740 -0.000 0.000 0.313 25 N C 0.122 175.747 175.510 0.191 0.000 0.648 25 N CA 0.322 53.356 53.050 -0.027 0.000 0.686 25 N CB 0.569 38.923 38.487 -0.221 0.000 2.364 25 N HN 0.850 nan 8.380 nan 0.000 1.326 26 K N -1.045 119.412 120.400 0.095 0.000 1.492 26 K HA 0.159 4.479 4.320 -0.000 0.000 0.105 26 K C -0.218 176.388 176.600 0.011 0.000 2.196 26 K CA 0.152 56.472 56.287 0.055 0.000 0.954 26 K CB -0.311 32.228 32.500 0.065 0.000 2.370 26 K HN 0.110 nan 8.250 nan 0.000 0.332 27 E N 1.362 121.559 120.200 -0.004 0.000 2.343 27 E HA 0.126 4.476 4.350 -0.000 0.000 0.223 27 E C -0.504 176.080 176.600 -0.028 0.000 0.977 27 E CA -0.018 56.364 56.400 -0.029 0.000 1.027 27 E CB 0.096 29.761 29.700 -0.058 0.000 1.769 27 E HN 0.375 nan 8.360 nan 0.000 0.531 28 N N 2.127 120.800 118.700 -0.044 0.000 2.426 28 N HA 0.135 4.875 4.740 -0.000 0.000 0.275 28 N C -0.967 174.560 175.510 0.028 0.000 1.019 28 N CA -0.118 52.910 53.050 -0.036 0.000 0.941 28 N CB 0.616 39.053 38.487 -0.083 0.000 1.123 28 N HN 0.081 nan 8.380 nan 0.000 0.486 29 N N 1.602 120.319 118.700 0.028 0.000 2.806 29 N HA 0.094 4.834 4.740 -0.000 0.000 0.315 29 N C -0.388 175.081 175.510 -0.068 0.000 1.738 29 N CA -0.319 52.792 53.050 0.102 0.000 0.993 29 N CB 0.980 39.506 38.487 0.066 0.000 1.324 29 N HN 0.297 nan 8.380 nan 0.000 0.493 30 V N 1.026 120.819 119.914 -0.202 0.000 2.584 30 V HA -0.109 4.011 4.120 -0.000 0.000 0.303 30 V C 1.405 176.866 176.094 -1.057 0.000 1.035 30 V CA 0.413 62.378 62.300 -0.558 0.000 1.172 30 V CB 0.360 31.860 31.823 -0.540 0.000 0.896 30 V HN 0.420 nan 8.190 nan 0.000 0.486 31 S N 4.293 119.625 115.700 -0.614 0.000 2.569 31 S HA 0.427 4.897 4.470 -0.000 0.000 0.274 31 S C -0.578 173.599 174.600 -0.705 0.000 1.353 31 S CA 0.176 58.121 58.200 -0.426 0.000 1.023 31 S CB 0.029 63.116 63.200 -0.188 0.000 0.876 31 S HN 0.453 nan 8.310 nan 0.000 0.540 32 F N -0.184 119.793 119.950 0.045 0.000 2.789 32 F HA 0.675 5.202 4.527 -0.000 0.000 0.319 32 F C -0.264 175.537 175.800 0.002 0.000 1.168 32 F CA -0.758 57.248 58.000 0.009 0.000 0.934 32 F CB 1.879 40.864 39.000 -0.025 0.000 1.375 32 F HN 0.633 nan 8.300 nan 0.000 0.480 33 A N 2.323 125.291 122.820 0.247 0.000 1.897 33 A HA 0.483 4.803 4.320 -0.000 0.000 0.285 33 A C -1.597 176.009 177.584 0.037 0.000 1.261 33 A CA -0.652 51.446 52.037 0.101 0.000 0.936 33 A CB -0.411 18.642 19.000 0.087 0.000 1.240 33 A HN 0.725 nan 8.150 nan 0.000 0.434 34 L N -0.600 120.611 121.223 -0.020 0.000 2.488 34 L HA 0.774 5.114 4.340 -0.000 0.000 0.249 34 L C 0.430 177.308 176.870 0.014 0.000 1.151 34 L CA -0.457 54.369 54.840 -0.023 0.000 0.806 34 L CB 0.216 42.251 42.059 -0.041 0.000 1.261 34 L HN 0.523 nan 8.230 nan 0.000 0.484 35 D N 0.039 120.466 120.400 0.046 0.000 2.350 35 D HA 0.086 4.726 4.640 -0.000 0.000 0.249 35 D C 0.801 177.154 176.300 0.087 0.000 1.119 35 D CA -0.324 53.711 54.000 0.058 0.000 0.886 35 D CB 1.270 42.107 40.800 0.061 0.000 1.195 35 D HN 0.710 nan 8.370 nan 0.000 0.437 36 R N 3.792 124.329 120.500 0.061 0.000 2.401 36 R HA -0.262 4.078 4.340 -0.000 0.000 0.198 36 R C 1.988 178.363 176.300 0.125 0.000 0.980 36 R CA 2.090 58.233 56.100 0.072 0.000 0.839 36 R CB -0.380 29.950 30.300 0.049 0.000 0.717 36 R HN 0.618 nan 8.270 nan 0.000 0.464 37 K N -0.353 120.103 120.400 0.093 0.000 2.091 37 K HA -0.348 3.972 4.320 -0.000 0.000 0.225 37 K C 1.848 178.514 176.600 0.110 0.000 1.028 37 K CA 2.958 59.298 56.287 0.089 0.000 0.965 37 K CB -0.693 31.844 32.500 0.061 0.000 0.786 37 K HN 0.488 nan 8.250 nan 0.000 0.459 38 A N 0.326 123.214 122.820 0.114 0.000 1.852 38 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 38 A C 2.119 179.789 177.584 0.143 0.000 1.215 38 A CA 2.089 54.194 52.037 0.114 0.000 0.641 38 A CB -1.335 17.740 19.000 0.125 0.000 0.838 38 A HN 0.609 nan 8.150 nan 0.000 0.450 39 F N 1.440 121.433 119.950 0.072 0.000 2.085 39 F HA -0.337 4.190 4.527 -0.000 0.000 0.299 39 F C 1.931 177.790 175.800 0.098 0.000 1.096 39 F CA 2.561 60.624 58.000 0.106 0.000 1.227 39 F CB -0.355 38.714 39.000 0.115 0.000 0.983 39 F HN 0.364 nan 8.300 nan 0.000 0.482 40 D N -0.076 120.548 120.400 0.373 0.000 2.133 40 D HA -0.273 4.367 4.640 -0.000 0.000 0.192 40 D C 2.257 178.615 176.300 0.097 0.000 1.001 40 D CA 1.926 56.079 54.000 0.255 0.000 0.844 40 D CB -0.643 40.266 40.800 0.182 0.000 0.944 40 D HN 0.384 nan 8.370 nan 0.000 0.447 41 R N 0.483 121.007 120.500 0.041 0.000 2.119 41 R HA 0.075 4.415 4.340 -0.000 0.000 0.222 41 R C 1.997 178.234 176.300 -0.106 0.000 1.088 41 R CA 1.062 57.147 56.100 -0.025 0.000 0.984 41 R CB -0.051 30.238 30.300 -0.018 0.000 0.884 41 R HN 0.144 nan 8.270 nan 0.000 0.447 42 A N 1.151 123.883 122.820 -0.148 0.000 1.821 42 A HA -0.201 4.119 4.320 -0.000 0.000 0.215 42 A C 1.891 179.281 177.584 -0.324 0.000 1.216 42 A CA 1.304 53.168 52.037 -0.288 0.000 0.615 42 A CB -1.217 17.593 19.000 -0.316 0.000 0.862 42 A HN 0.502 nan 8.150 nan 0.000 0.450 43 F N 1.307 120.906 119.950 -0.585 0.000 2.214 43 F HA -0.278 4.249 4.527 -0.000 0.000 0.302 43 F C 2.220 177.850 175.800 -0.283 0.000 1.063 43 F CA 2.063 59.743 58.000 -0.534 0.000 1.319 43 F CB -0.371 38.174 39.000 -0.758 0.000 1.046 43 F HN 0.329 nan 8.300 nan 0.000 0.505 44 R N 0.023 120.281 120.500 -0.405 0.000 2.115 44 R HA -0.240 4.100 4.340 -0.000 0.000 0.239 44 R C 2.231 178.270 176.300 -0.436 0.000 1.133 44 R CA 2.274 58.135 56.100 -0.398 0.000 0.935 44 R CB -0.293 29.893 30.300 -0.191 0.000 0.853 44 R HN 0.369 nan 8.270 nan 0.000 0.433 45 Q N 0.472 120.072 119.800 -0.333 0.000 1.864 45 Q HA -0.152 4.188 4.340 -0.000 0.000 0.219 45 Q C 2.072 177.901 176.000 -0.284 0.000 0.975 45 Q CA 1.259 56.903 55.803 -0.265 0.000 0.862 45 Q CB -0.882 27.728 28.738 -0.214 0.000 0.913 45 Q HN 0.487 nan 8.270 nan 0.000 0.431 46 Q N 1.046 120.690 119.800 -0.260 0.000 2.389 46 Q HA -0.135 4.205 4.340 -0.000 0.000 0.213 46 Q C 0.988 176.874 176.000 -0.190 0.000 0.989 46 Q CA 0.818 56.509 55.803 -0.188 0.000 0.891 46 Q CB -0.116 28.532 28.738 -0.151 0.000 0.923 46 Q HN 0.366 nan 8.270 nan 0.000 0.455 47 S N -0.240 115.222 115.700 -0.396 0.000 2.743 47 S HA -0.251 4.219 4.470 -0.000 0.000 0.629 47 S C 0.350 175.006 174.600 0.094 0.000 3.251 47 S CA 1.573 59.481 58.200 -0.486 0.000 3.727 47 S CB -0.760 62.210 63.200 -0.383 0.000 0.334 47 S HN 0.636 nan 8.310 nan 0.000 1.636 48 T N -0.097 114.577 114.554 0.200 0.000 3.477 48 T HA 0.586 4.936 4.350 -0.000 0.000 0.347 48 T C 0.078 174.818 174.700 0.067 0.000 1.567 48 T CA 0.441 62.635 62.100 0.157 0.000 1.169 48 T CB -0.315 68.647 68.868 0.156 0.000 1.196 48 T HN 1.444 nan 8.240 nan 0.000 0.768 49 T N -2.017 112.563 114.554 0.044 0.000 5.407 49 T HA 0.305 4.655 4.350 -0.000 0.000 0.224 49 T C 0.081 174.791 174.700 0.017 0.000 0.867 49 T CA -0.540 61.576 62.100 0.026 0.000 0.420 49 T CB -1.022 67.850 68.868 0.006 0.000 0.478 49 T HN 1.044 nan 8.240 nan 0.000 0.203 50 G N 2.143 110.964 108.800 0.035 0.000 2.417 50 G HA2 0.573 4.533 3.960 -0.000 0.000 0.282 50 G HA3 0.573 4.533 3.960 -0.000 0.000 0.282 50 G C -0.582 174.374 174.900 0.094 0.000 1.388 50 G CA -0.944 44.180 45.100 0.040 0.000 1.276 50 G HN 0.704 nan 8.290 nan 0.000 0.602 51 L N 0.539 121.836 121.223 0.123 0.000 2.305 51 L HA 0.882 5.222 4.340 -0.000 0.000 0.281 51 L C -0.549 176.481 176.870 0.266 0.000 1.085 51 L CA -0.892 54.051 54.840 0.173 0.000 0.813 51 L CB 1.076 43.212 42.059 0.127 0.000 1.157 51 L HN 0.280 nan 8.230 nan 0.000 0.436 52 F N 0.666 120.667 119.950 0.084 0.000 2.664 52 F HA 0.494 5.021 4.527 -0.000 0.000 0.329 52 F C -0.565 175.267 175.800 0.053 0.000 1.090 52 F CA -1.149 56.887 58.000 0.061 0.000 0.978 52 F CB 1.620 40.658 39.000 0.062 0.000 1.378 52 F HN 0.515 nan 8.300 nan 0.000 0.495 53 D N 3.285 123.151 120.400 -0.889 0.000 2.401 53 D HA 0.214 4.854 4.640 -0.000 0.000 0.254 53 D C -0.111 175.967 176.300 -0.370 0.000 1.192 53 D CA 0.893 54.514 54.000 -0.632 0.000 0.885 53 D CB 0.463 40.760 40.800 -0.839 0.000 1.147 53 D HN 0.333 nan 8.370 nan 0.000 0.478 54 I N 2.271 122.710 120.570 -0.217 0.000 2.697 54 I HA 0.032 4.202 4.170 -0.000 0.000 0.279 54 I C -0.090 175.863 176.117 -0.273 0.000 1.171 54 I CA -0.286 60.886 61.300 -0.214 0.000 1.135 54 I CB 0.574 38.467 38.000 -0.178 0.000 1.445 54 I HN 0.032 nan 8.210 nan 0.000 0.541 55 T N 4.309 118.708 114.554 -0.259 0.000 2.875 55 T HA 0.260 4.610 4.350 -0.000 0.000 0.307 55 T C 0.410 174.980 174.700 -0.216 0.000 1.013 55 T CA -0.284 61.655 62.100 -0.268 0.000 0.970 55 T CB 0.543 69.291 68.868 -0.201 0.000 0.986 55 T HN 0.061 nan 8.240 nan 0.000 0.536 56 V N 3.228 123.000 119.914 -0.238 0.000 2.811 56 V HA 0.116 4.236 4.120 -0.000 0.000 0.302 56 V C 1.035 177.076 176.094 -0.088 0.000 1.063 56 V CA -0.845 61.385 62.300 -0.117 0.000 1.088 56 V CB 0.589 32.409 31.823 -0.006 0.000 0.982 56 V HN 0.823 nan 8.190 nan 0.000 0.485 57 E N 2.283 122.457 120.200 -0.043 0.000 2.966 57 E HA 0.097 4.447 4.350 -0.000 0.000 0.254 57 E C 1.169 177.747 176.600 -0.037 0.000 0.923 57 E CA 1.161 57.542 56.400 -0.032 0.000 0.960 57 E CB -0.399 29.296 29.700 -0.007 0.000 0.901 57 E HN 1.028 nan 8.360 nan 0.000 0.525 58 G N 2.686 111.457 108.800 -0.047 0.000 2.391 58 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.204 58 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.204 58 G C 0.572 175.429 174.900 -0.071 0.000 1.012 58 G CA -0.131 44.941 45.100 -0.047 0.000 0.651 58 G HN 1.539 nan 8.290 nan 0.000 0.494 59 G N -0.006 108.729 108.800 -0.109 0.000 2.830 59 G HA2 0.294 4.254 3.960 -0.000 0.000 0.298 59 G HA3 0.294 4.254 3.960 -0.000 0.000 0.298 59 G C -0.340 174.443 174.900 -0.195 0.000 1.031 59 G CA 0.582 45.598 45.100 -0.140 0.000 1.179 59 G HN 1.207 nan 8.290 nan 0.000 0.527 60 E N 0.592 120.588 120.200 -0.341 0.000 3.918 60 E HA 0.200 4.550 4.350 -0.000 0.000 0.183 60 E C 0.627 176.703 176.600 -0.873 0.000 1.021 60 E CA -0.388 55.687 56.400 -0.543 0.000 1.431 60 E CB 0.517 29.824 29.700 -0.655 0.000 1.140 60 E HN 0.525 nan 8.360 nan 0.000 0.435 61 T N 1.302 115.578 114.554 -0.463 0.000 2.499 61 T HA -0.182 4.168 4.350 -0.000 0.000 0.208 61 T C -0.289 174.290 174.700 -0.201 0.000 1.023 61 T CA 1.238 63.145 62.100 -0.321 0.000 1.166 61 T CB -0.157 68.618 68.868 -0.156 0.000 0.998 61 T HN 0.178 nan 8.240 nan 0.000 0.447 62 F N 4.785 124.692 119.950 -0.072 0.000 2.588 62 F HA 0.458 4.985 4.527 -0.000 0.000 0.310 62 F C -2.145 173.626 175.800 -0.047 0.000 1.082 62 F CA -2.694 55.278 58.000 -0.046 0.000 0.929 62 F CB 3.075 42.056 39.000 -0.033 0.000 1.254 62 F HN 0.302 nan 8.300 nan 0.000 0.455 63 P HA 0.510 nan 4.420 nan 0.000 0.304 63 P C -1.526 175.825 177.300 0.086 0.000 1.366 63 P CA -0.076 63.088 63.100 0.107 0.000 0.859 63 P CB 2.071 33.822 31.700 0.086 0.000 0.961 64 A N 3.668 126.565 122.820 0.128 0.000 2.507 64 A HA 0.889 5.209 4.320 -0.000 0.000 0.284 64 A C -1.821 175.873 177.584 0.183 0.000 1.281 64 A CA -0.666 51.458 52.037 0.144 0.000 0.744 64 A CB 1.110 20.250 19.000 0.233 0.000 1.332 64 A HN 0.479 nan 8.150 nan 0.000 0.454 65 L N -0.523 120.806 121.223 0.177 0.000 2.513 65 L HA 0.487 4.827 4.340 -0.000 0.000 0.261 65 L C -0.959 175.900 176.870 -0.018 0.000 0.945 65 L CA -0.293 54.614 54.840 0.112 0.000 0.848 65 L CB 2.093 44.230 42.059 0.130 0.000 1.334 65 L HN 0.499 nan 8.230 nan 0.000 0.407 66 V N 4.342 124.181 119.914 -0.125 0.000 2.420 66 V HA 0.059 4.179 4.120 -0.000 0.000 0.274 66 V C 1.040 177.051 176.094 -0.137 0.000 1.003 66 V CA 0.048 62.172 62.300 -0.294 0.000 1.092 66 V CB 0.256 31.968 31.823 -0.184 0.000 1.002 66 V HN 0.815 nan 8.190 nan 0.000 0.473 67 K N 4.824 125.132 120.400 -0.155 0.000 2.102 67 K HA 0.475 4.795 4.320 -0.000 0.000 0.208 67 K C 0.584 177.143 176.600 -0.068 0.000 1.027 67 K CA 1.134 57.382 56.287 -0.065 0.000 0.958 67 K CB 0.278 32.764 32.500 -0.023 0.000 0.819 67 K HN 0.768 nan 8.250 nan 0.000 0.453 68 A N 0.457 123.228 122.820 -0.081 0.000 2.437 68 A HA 0.594 4.914 4.320 -0.000 0.000 0.293 68 A C -1.602 175.933 177.584 -0.082 0.000 1.038 68 A CA -0.756 51.249 52.037 -0.054 0.000 0.708 68 A CB 1.736 20.745 19.000 0.014 0.000 1.251 68 A HN -0.022 nan 8.150 nan 0.000 0.409 69 V N 3.006 122.847 119.914 -0.122 0.000 2.417 69 V HA 0.478 4.598 4.120 -0.000 0.000 0.291 69 V C -0.612 175.455 176.094 -0.045 0.000 1.024 69 V CA -0.586 61.631 62.300 -0.139 0.000 0.861 69 V CB 1.601 33.251 31.823 -0.287 0.000 0.985 69 V HN 0.841 nan 8.190 nan 0.000 0.436 70 Q N 5.702 125.507 119.800 0.009 0.000 2.413 70 Q HA 0.465 4.805 4.340 -0.000 0.000 0.258 70 Q C -0.423 175.590 176.000 0.021 0.000 1.037 70 Q CA -0.443 55.378 55.803 0.029 0.000 0.764 70 Q CB 1.938 30.710 28.738 0.056 0.000 1.217 70 Q HN 0.848 nan 8.270 nan 0.000 0.490 71 M N -0.454 119.152 119.600 0.011 0.000 2.368 71 M HA 0.470 4.950 4.480 -0.000 0.000 0.311 71 M C 0.008 176.317 176.300 0.016 0.000 1.168 71 M CA -0.624 54.684 55.300 0.013 0.000 1.044 71 M CB 0.385 32.999 32.600 0.024 0.000 1.506 71 M HN 0.176 nan 8.290 nan 0.000 0.475 72 D N 1.692 122.102 120.400 0.016 0.000 2.399 72 D HA 0.197 4.837 4.640 -0.000 0.000 0.241 72 D C -0.526 175.782 176.300 0.014 0.000 1.133 72 D CA 0.311 54.319 54.000 0.014 0.000 0.890 72 D CB 0.816 41.624 40.800 0.014 0.000 1.201 72 D HN 0.497 nan 8.370 nan 0.000 0.432 73 K N 2.306 122.712 120.400 0.011 0.000 2.127 73 K HA 0.430 4.750 4.320 -0.000 0.000 0.240 73 K C 1.032 177.637 176.600 0.009 0.000 1.024 73 K CA -0.729 55.564 56.287 0.009 0.000 0.918 73 K CB 1.155 33.659 32.500 0.007 0.000 1.108 73 K HN 0.445 nan 8.250 nan 0.000 0.485 74 R N -0.398 120.107 120.500 0.008 0.000 1.680 74 R HA -0.246 4.094 4.340 -0.000 0.000 0.092 74 R C -0.500 175.806 176.300 0.010 0.000 0.930 74 R CA 1.924 58.029 56.100 0.008 0.000 1.943 74 R CB -1.077 29.227 30.300 0.007 0.000 0.490 74 R HN 0.550 nan 8.270 nan 0.000 0.707 75 K N 1.782 122.190 120.400 0.012 0.000 2.404 75 K HA 0.318 4.638 4.320 -0.000 0.000 0.257 75 K C 0.342 176.953 176.600 0.020 0.000 1.026 75 K CA -0.444 55.852 56.287 0.015 0.000 0.951 75 K CB 1.132 33.641 32.500 0.015 0.000 1.203 75 K HN 0.182 nan 8.250 nan 0.000 0.446 76 R N 0.986 121.499 120.500 0.022 0.000 2.316 76 R HA -0.207 4.133 4.340 -0.000 0.000 0.257 76 R C 0.739 177.061 176.300 0.037 0.000 1.198 76 R CA 1.105 57.222 56.100 0.028 0.000 1.026 76 R CB -0.832 29.486 30.300 0.030 0.000 0.872 76 R HN 0.539 nan 8.270 nan 0.000 0.482 77 A N 2.686 125.527 122.820 0.034 0.000 2.531 77 A HA 0.172 4.492 4.320 -0.000 0.000 0.236 77 A C -2.097 175.506 177.584 0.031 0.000 1.062 77 A CA -1.014 51.045 52.037 0.038 0.000 0.760 77 A CB 0.032 19.050 19.000 0.030 0.000 0.995 77 A HN -0.014 nan 8.150 nan 0.000 0.501 78 P HA 0.370 nan 4.420 nan 0.000 0.282 78 P C 0.478 177.760 177.300 -0.031 0.000 1.249 78 P CA -0.340 62.759 63.100 -0.001 0.000 0.806 78 P CB 1.116 32.818 31.700 0.003 0.000 0.984 79 I N 0.762 121.314 120.570 -0.030 0.000 3.971 79 I HA 0.210 4.380 4.170 -0.000 0.000 0.303 79 I C -0.003 176.116 176.117 0.004 0.000 1.233 79 I CA 0.291 61.586 61.300 -0.010 0.000 1.346 79 I CB 0.469 38.482 38.000 0.022 0.000 1.273 79 I HN 0.359 nan 8.210 nan 0.000 0.448 80 H N -0.012 118.997 119.070 -0.102 0.000 2.895 80 H HA 0.702 5.258 4.556 -0.000 0.000 0.373 80 H C -1.594 173.653 175.328 -0.135 0.000 1.174 80 H CA -0.587 55.405 56.048 -0.093 0.000 1.144 80 H CB 2.059 31.802 29.762 -0.032 0.000 1.793 80 H HN -0.167 nan 8.280 nan 0.000 0.551 81 V N 3.022 122.338 119.914 -0.997 0.000 2.971 81 V HA 0.297 4.417 4.120 -0.000 0.000 0.309 81 V C -1.164 174.691 176.094 -0.398 0.000 1.130 81 V CA -0.974 60.989 62.300 -0.562 0.000 0.964 81 V CB 2.132 33.685 31.823 -0.450 0.000 1.029 81 V HN 0.838 nan 8.190 nan 0.000 0.427 82 D N 2.627 122.941 120.400 -0.143 0.000 2.408 82 D HA 0.620 5.260 4.640 -0.000 0.000 0.243 82 D C -1.092 175.175 176.300 -0.055 0.000 1.075 82 D CA 0.030 54.054 54.000 0.039 0.000 0.832 82 D CB 1.406 42.273 40.800 0.111 0.000 1.162 82 D HN 0.279 nan 8.370 nan 0.000 0.515 83 F N 2.035 121.933 119.950 -0.087 0.000 2.361 83 F HA 0.222 4.749 4.527 0.000 0.000 0.364 83 F C -0.275 175.417 175.800 -0.180 0.000 1.117 83 F CA -1.046 56.912 58.000 -0.069 0.000 1.071 83 F CB 0.785 39.758 39.000 -0.045 0.000 1.188 83 F HN 0.288 nan 8.300 nan 0.000 0.464 84 Y N 5.577 125.802 120.300 -0.126 0.000 2.594 84 Y HA 0.341 4.891 4.550 0.000 0.000 0.342 84 Y C 0.294 176.184 175.900 -0.017 0.000 1.010 84 Y CA -1.296 56.687 58.100 -0.196 0.000 1.270 84 Y CB 0.123 38.506 38.460 -0.128 0.000 1.125 84 Y HN 0.414 nan 8.280 nan 0.000 0.513 85 M N 4.986 124.401 119.600 -0.310 0.000 2.188 85 M HA -0.134 4.346 4.480 -0.000 0.000 0.373 85 M C 0.507 176.683 176.300 -0.206 0.000 1.192 85 M CA 0.803 55.980 55.300 -0.204 0.000 0.854 85 M CB -0.202 32.259 32.600 -0.231 0.000 1.821 85 M HN 0.419 nan 8.290 nan 0.000 0.488 86 V N 4.968 124.863 119.914 -0.032 0.000 4.012 86 V HA -0.014 4.106 4.120 -0.000 0.000 0.284 86 V C 1.307 177.406 176.094 0.009 0.000 1.020 86 V CA 0.550 62.868 62.300 0.030 0.000 1.039 86 V CB -0.028 31.835 31.823 0.067 0.000 1.203 86 V HN 1.043 nan 8.190 nan 0.000 0.456 87 T N -2.534 112.066 114.554 0.077 0.000 3.413 87 T HA 0.240 4.590 4.350 -0.000 0.000 0.187 87 T C 0.309 175.138 174.700 0.215 0.000 0.961 87 T CA 1.081 63.245 62.100 0.107 0.000 1.085 87 T CB 0.337 69.285 68.868 0.132 0.000 1.345 87 T HN 0.748 nan 8.240 nan 0.000 0.326 88 Y N -0.809 119.506 120.300 0.026 0.000 2.830 88 Y HA 0.128 4.678 4.550 -0.000 0.000 0.339 88 Y C 1.197 177.113 175.900 0.025 0.000 0.876 88 Y CA 0.888 59.001 58.100 0.022 0.000 0.887 88 Y CB -0.386 38.083 38.460 0.015 0.000 1.322 88 Y HN 0.367 nan 8.280 nan 0.000 0.526 89 G N -0.137 108.786 108.800 0.205 0.000 3.040 89 G HA2 0.407 4.367 3.960 -0.000 0.000 0.214 89 G HA3 0.407 4.367 3.960 -0.000 0.000 0.214 89 G C -0.520 174.436 174.900 0.093 0.000 1.093 89 G CA 0.305 45.469 45.100 0.107 0.000 0.931 89 G HN 0.048 nan 8.290 nan 0.000 0.632 90 E N -0.030 120.239 120.200 0.116 0.000 2.522 90 E HA 0.179 4.529 4.350 -0.000 0.000 0.315 90 E C -2.397 174.283 176.600 0.134 0.000 0.917 90 E CA -0.952 55.510 56.400 0.103 0.000 0.796 90 E CB 3.296 33.052 29.700 0.093 0.000 1.323 90 E HN 0.052 nan 8.360 nan 0.000 0.397 91 P HA 0.090 nan 4.420 nan 0.000 0.212 91 P C 0.830 178.262 177.300 0.219 0.000 1.146 91 P CA 1.449 64.683 63.100 0.224 0.000 0.891 91 P CB 1.095 32.911 31.700 0.193 0.000 0.773 92 V N -4.856 115.121 119.914 0.104 0.000 6.978 92 V HA 0.315 4.435 4.120 -0.000 0.000 0.062 92 V C -1.021 175.083 176.094 0.016 0.000 0.844 92 V CA -0.579 61.739 62.300 0.031 0.000 0.516 92 V CB -0.124 31.649 31.823 -0.083 0.000 0.858 92 V HN 0.045 nan 8.190 nan 0.000 0.747 93 E N -0.699 119.500 120.200 -0.001 0.000 2.375 93 E HA 0.738 5.088 4.350 -0.000 0.000 0.280 93 E C -1.872 174.731 176.600 0.005 0.000 0.972 93 E CA -0.372 56.031 56.400 0.004 0.000 0.782 93 E CB 3.262 32.959 29.700 -0.005 0.000 1.229 93 E HN 0.470 nan 8.360 nan 0.000 0.439 94 V N 0.818 120.742 119.914 0.016 0.000 3.001 94 V HA 0.485 4.605 4.120 -0.000 0.000 0.314 94 V C -0.502 175.605 176.094 0.023 0.000 1.099 94 V CA -0.913 61.400 62.300 0.022 0.000 0.989 94 V CB 2.237 34.078 31.823 0.030 0.000 1.040 94 V HN 0.628 nan 8.190 nan 0.000 0.434 95 S N 1.749 117.466 115.700 0.029 0.000 2.410 95 S HA 0.578 5.048 4.470 -0.000 0.000 0.304 95 S C -0.451 174.173 174.600 0.039 0.000 1.095 95 S CA -0.399 57.822 58.200 0.036 0.000 1.089 95 S CB 0.938 64.164 63.200 0.043 0.000 0.968 95 S HN 0.472 nan 8.310 nan 0.000 0.480 96 V N 6.659 126.596 119.914 0.038 0.000 2.444 96 V HA 0.426 4.546 4.120 -0.000 0.000 0.294 96 V C -2.125 174.007 176.094 0.063 0.000 1.022 96 V CA -2.266 60.056 62.300 0.037 0.000 0.850 96 V CB 1.603 33.437 31.823 0.019 0.000 0.992 96 V HN 0.605 nan 8.190 nan 0.000 0.426 97 P HA 0.140 nan 4.420 nan 0.000 0.268 97 P C -0.458 176.984 177.300 0.238 0.000 1.205 97 P CA 0.148 63.352 63.100 0.174 0.000 0.771 97 P CB 1.427 33.290 31.700 0.273 0.000 0.858 98 V N 4.768 124.795 119.914 0.188 0.000 2.567 98 V HA 0.271 4.391 4.120 -0.000 0.000 0.289 98 V C 0.185 176.423 176.094 0.240 0.000 1.049 98 V CA 0.054 62.456 62.300 0.169 0.000 0.969 98 V CB 0.293 32.137 31.823 0.035 0.000 0.995 98 V HN 0.652 nan 8.190 nan 0.000 0.471 99 H N 0.666 119.717 119.070 -0.031 0.000 2.928 99 H HA 0.672 5.228 4.556 -0.000 0.000 0.371 99 H C -0.192 175.117 175.328 -0.032 0.000 1.186 99 H CA -0.438 55.590 56.048 -0.032 0.000 1.134 99 H CB 2.013 31.760 29.762 -0.024 0.000 1.824 99 H HN 0.632 nan 8.280 nan 0.000 0.554 100 T N 1.163 115.763 114.554 0.077 0.000 2.950 100 T HA 0.724 5.074 4.350 -0.000 0.000 0.288 100 T C -0.729 173.994 174.700 0.039 0.000 1.035 100 T CA -0.703 61.416 62.100 0.032 0.000 1.028 100 T CB 1.287 70.149 68.868 -0.010 0.000 1.109 100 T HN 0.770 nan 8.240 nan 0.000 0.514 101 T N -1.511 113.055 114.554 0.021 0.000 2.942 101 T HA 0.665 5.015 4.350 -0.000 0.000 0.327 101 T C -0.100 174.605 174.700 0.007 0.000 1.360 101 T CA -0.460 61.650 62.100 0.016 0.000 1.055 101 T CB 1.180 70.058 68.868 0.017 0.000 1.261 101 T HN 1.274 nan 8.240 nan 0.000 0.485 102 G N 1.413 110.216 108.800 0.005 0.000 2.892 102 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.686 102 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.686 102 G C -0.339 174.561 174.900 0.000 0.000 1.244 102 G CA -0.392 44.709 45.100 0.002 0.000 0.947 102 G HN 1.061 nan 8.290 nan 0.000 0.584 103 R N 1.436 121.935 120.500 -0.001 0.000 2.570 103 R HA 0.384 4.724 4.340 -0.000 0.000 0.277 103 R C 0.912 177.212 176.300 -0.001 0.000 1.039 103 R CA 0.438 56.537 56.100 -0.002 0.000 1.065 103 R CB 0.161 30.460 30.300 -0.002 0.000 0.964 103 R HN 0.621 nan 8.270 nan 0.000 0.428 104 S N 2.919 118.618 115.700 -0.002 0.000 2.632 104 S HA 0.095 4.565 4.470 -0.000 0.000 0.267 104 S C -0.308 174.292 174.600 0.000 0.000 1.276 104 S CA -0.728 57.472 58.200 -0.001 0.000 0.998 104 S CB 1.441 64.640 63.200 -0.001 0.000 0.953 104 S HN 0.623 nan 8.310 nan 0.000 0.547 105 Q N 0.723 120.524 119.800 0.002 0.000 2.963 105 Q HA 0.462 4.802 4.340 -0.000 0.000 0.262 105 Q C 0.802 176.804 176.000 0.004 0.000 1.318 105 Q CA -0.363 55.441 55.803 0.002 0.000 1.089 105 Q CB 0.270 29.009 28.738 0.001 0.000 1.424 105 Q HN 0.985 nan 8.270 nan 0.000 0.560 106 G N 0.602 109.404 108.800 0.003 0.000 4.195 106 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.150 106 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.150 106 G C 0.693 175.594 174.900 0.002 0.000 1.058 106 G CA -0.123 44.980 45.100 0.005 0.000 0.859 106 G HN 0.413 nan 8.290 nan 0.000 0.547 107 E N 0.743 120.944 120.200 0.000 0.000 1.998 107 E HA -0.020 4.330 4.350 -0.000 0.000 0.195 107 E C 2.494 179.093 176.600 -0.001 0.000 0.994 107 E CA 1.731 58.130 56.400 -0.002 0.000 0.835 107 E CB -0.152 29.546 29.700 -0.003 0.000 0.786 107 E HN 0.044 nan 8.360 nan 0.000 0.467 108 V N 1.645 121.558 119.914 -0.001 0.000 2.324 108 V HA -0.350 3.770 4.120 -0.000 0.000 0.250 108 V C 2.386 178.480 176.094 -0.000 0.000 1.060 108 V CA 2.164 64.464 62.300 -0.001 0.000 1.042 108 V CB -0.862 30.960 31.823 -0.001 0.000 0.650 108 V HN 0.383 nan 8.190 nan 0.000 0.450 109 Q N 0.240 120.041 119.800 0.000 0.000 1.914 109 Q HA -0.230 4.110 4.340 -0.000 0.000 0.222 109 Q C 1.926 177.927 176.000 0.001 0.000 1.031 109 Q CA 2.137 57.941 55.803 0.001 0.000 0.886 109 Q CB -0.448 28.291 28.738 0.003 0.000 0.982 109 Q HN 0.704 nan 8.270 nan 0.000 0.417 110 G N -1.640 107.161 108.800 0.002 0.000 4.225 110 G HA2 0.273 4.233 3.960 -0.000 0.000 0.177 110 G HA3 0.273 4.233 3.960 -0.000 0.000 0.177 110 G C -0.098 174.803 174.900 0.002 0.000 0.949 110 G CA 0.132 45.233 45.100 0.002 0.000 0.796 110 G HN 0.579 nan 8.290 nan 0.000 0.504 111 G N -0.467 108.335 108.800 0.002 0.000 3.105 111 G HA2 0.684 4.644 3.960 -0.000 0.000 0.277 111 G HA3 0.684 4.644 3.960 -0.000 0.000 0.277 111 G C -1.810 173.090 174.900 -0.001 0.000 1.375 111 G CA -0.910 44.191 45.100 0.002 0.000 0.962 111 G HN 0.710 nan 8.290 nan 0.000 0.541 112 L N 0.220 121.441 121.223 -0.003 0.000 2.365 112 L HA 0.693 5.033 4.340 -0.000 0.000 0.273 112 L C -0.346 176.518 176.870 -0.011 0.000 1.000 112 L CA -0.703 54.133 54.840 -0.008 0.000 0.819 112 L CB 2.191 44.245 42.059 -0.010 0.000 1.284 112 L HN 0.343 nan 8.230 nan 0.000 0.418 113 V N 3.188 123.094 119.914 -0.014 0.000 2.614 113 V HA 0.337 4.457 4.120 -0.000 0.000 0.291 113 V C -0.305 175.768 176.094 -0.036 0.000 1.049 113 V CA -0.341 61.948 62.300 -0.019 0.000 1.038 113 V CB 1.099 32.912 31.823 -0.016 0.000 0.980 113 V HN 0.782 nan 8.190 nan 0.000 0.481 114 D N 3.236 123.609 120.400 -0.046 0.000 2.362 114 D HA 0.429 5.069 4.640 -0.000 0.000 0.247 114 D C -0.450 175.795 176.300 -0.092 0.000 1.050 114 D CA -0.598 53.363 54.000 -0.065 0.000 0.839 114 D CB 1.623 42.389 40.800 -0.056 0.000 1.283 114 D HN 0.439 nan 8.370 nan 0.000 0.477 115 I N 4.618 125.102 120.570 -0.143 0.000 2.256 115 I HA 0.056 4.226 4.170 -0.000 0.000 0.294 115 I C 1.626 177.628 176.117 -0.192 0.000 1.127 115 I CA -0.487 60.690 61.300 -0.205 0.000 1.247 115 I CB 1.145 38.933 38.000 -0.353 0.000 1.460 115 I HN 0.286 nan 8.210 nan 0.000 0.511 116 V N 6.381 126.232 119.914 -0.104 0.000 2.453 116 V HA -0.173 3.947 4.120 -0.000 0.000 0.252 116 V C 0.823 176.910 176.094 -0.011 0.000 1.068 116 V CA 1.415 63.684 62.300 -0.052 0.000 1.070 116 V CB -0.161 31.632 31.823 -0.051 0.000 0.664 116 V HN 0.664 nan 8.190 nan 0.000 0.461 117 V N -3.821 116.071 119.914 -0.037 0.000 2.509 117 V HA 0.499 4.619 4.120 -0.000 0.000 0.289 117 V C 0.535 176.629 176.094 -0.001 0.000 1.026 117 V CA -0.979 61.341 62.300 0.033 0.000 0.872 117 V CB 0.823 32.663 31.823 0.029 0.000 1.017 117 V HN 0.295 nan 8.190 nan 0.000 0.436 118 H N 2.987 122.048 119.070 -0.014 0.000 2.840 118 H HA -0.045 4.511 4.556 -0.000 0.000 0.300 118 H C 1.356 176.686 175.328 0.004 0.000 1.020 118 H CA 2.713 58.747 56.048 -0.022 0.000 1.081 118 H CB -0.096 29.648 29.762 -0.029 0.000 1.510 118 H HN 0.814 nan 8.280 nan 0.000 0.756 119 N N 1.008 119.809 118.700 0.169 0.000 2.497 119 N HA 0.090 4.830 4.740 -0.000 0.000 0.271 119 N C -0.976 174.581 175.510 0.078 0.000 1.142 119 N CA -0.083 53.032 53.050 0.108 0.000 0.965 119 N CB 0.386 38.929 38.487 0.093 0.000 1.077 119 N HN 0.332 nan 8.380 nan 0.000 0.462 120 L N 2.065 123.326 121.223 0.063 0.000 2.334 120 L HA 0.423 4.763 4.340 -0.000 0.000 0.273 120 L C -0.490 176.402 176.870 0.036 0.000 1.013 120 L CA -0.820 54.046 54.840 0.045 0.000 0.816 120 L CB 1.610 43.692 42.059 0.037 0.000 1.278 120 L HN 0.648 nan 8.230 nan 0.000 0.431 121 Q N 4.106 123.923 119.800 0.029 0.000 2.322 121 Q HA 0.539 4.879 4.340 -0.000 0.000 0.265 121 Q C -1.135 174.877 176.000 0.019 0.000 0.985 121 Q CA -0.725 55.092 55.803 0.023 0.000 0.849 121 Q CB 1.877 30.627 28.738 0.020 0.000 1.274 121 Q HN 0.608 nan 8.270 nan 0.000 0.449 122 I N 0.322 120.903 120.570 0.017 0.000 2.603 122 I HA 0.547 4.717 4.170 -0.000 0.000 0.300 122 I C -0.638 175.487 176.117 0.014 0.000 1.017 122 I CA -1.132 60.177 61.300 0.015 0.000 1.098 122 I CB 1.662 39.671 38.000 0.014 0.000 1.279 122 I HN 0.261 nan 8.210 nan 0.000 0.437 123 V N 5.608 125.530 119.914 0.013 0.000 2.637 123 V HA 0.458 4.578 4.120 -0.000 0.000 0.296 123 V C 0.802 176.906 176.094 0.016 0.000 1.046 123 V CA 0.625 62.933 62.300 0.013 0.000 1.066 123 V CB 0.543 32.373 31.823 0.013 0.000 0.968 123 V HN 1.348 nan 8.190 nan 0.000 0.483 124 A N 6.477 129.308 122.820 0.019 0.000 1.442 124 A HA -0.088 4.232 4.320 -0.000 0.000 0.185 124 A C -1.551 176.047 177.584 0.023 0.000 1.221 124 A CA 0.372 52.423 52.037 0.024 0.000 0.594 124 A CB -0.870 18.143 19.000 0.023 0.000 1.144 124 A HN 0.707 nan 8.150 nan 0.000 0.160 125 P HA 0.301 nan 4.420 nan 0.000 0.212 125 P C 0.915 178.228 177.300 0.022 0.000 1.171 125 P CA 1.574 64.689 63.100 0.024 0.000 0.892 125 P CB 0.077 31.796 31.700 0.032 0.000 0.769 126 G N 0.925 109.742 108.800 0.029 0.000 2.551 126 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.604 126 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.604 126 G C -3.249 171.662 174.900 0.019 0.000 1.116 126 G CA -0.896 44.216 45.100 0.021 0.000 1.285 126 G HN 0.028 nan 8.290 nan 0.000 0.586 127 P HA 0.322 nan 4.420 nan 0.000 0.262 127 P C 0.837 178.133 177.300 -0.008 0.000 1.182 127 P CA 0.809 63.928 63.100 0.031 0.000 0.761 127 P CB 0.602 32.337 31.700 0.058 0.000 0.795 128 R N 1.718 122.217 120.500 -0.003 0.000 2.481 128 R HA -0.140 4.200 4.340 -0.000 0.000 0.307 128 R C -0.424 175.867 176.300 -0.014 0.000 0.473 128 R CA 0.318 56.405 56.100 -0.021 0.000 1.513 128 R CB -1.483 28.777 30.300 -0.067 0.000 1.555 128 R HN 0.372 nan 8.270 nan 0.000 0.362 129 R N 0.918 121.411 120.500 -0.012 0.000 2.585 129 R HA 0.452 4.792 4.340 -0.000 0.000 0.278 129 R C -1.333 174.966 176.300 -0.003 0.000 1.663 129 R CA -0.484 55.610 56.100 -0.010 0.000 1.592 129 R CB 1.161 31.451 30.300 -0.017 0.000 1.200 129 R HN 0.069 nan 8.270 nan 0.000 0.611 130 I N 2.151 122.723 120.570 0.003 0.000 2.382 130 I HA 0.290 4.460 4.170 -0.000 0.000 0.285 130 I C -2.085 174.031 176.117 -0.003 0.000 1.007 130 I CA -2.474 58.830 61.300 0.007 0.000 1.142 130 I CB 1.339 39.351 38.000 0.021 0.000 1.289 130 I HN 0.142 nan 8.210 nan 0.000 0.453 131 P HA -0.092 nan 4.420 nan 0.000 0.252 131 P C 0.064 177.344 177.300 -0.032 0.000 1.147 131 P CA 0.140 63.225 63.100 -0.025 0.000 0.779 131 P CB 0.160 31.846 31.700 -0.024 0.000 0.733 132 Q N 3.098 122.871 119.800 -0.045 0.000 2.239 132 Q HA 0.077 4.417 4.340 -0.000 0.000 0.219 132 Q C 0.186 176.129 176.000 -0.096 0.000 0.901 132 Q CA -0.135 55.635 55.803 -0.056 0.000 0.949 132 Q CB -0.203 28.502 28.738 -0.054 0.000 1.038 132 Q HN 0.644 nan 8.270 nan 0.000 0.458 133 E N -0.924 119.208 120.200 -0.113 0.000 2.154 133 E HA 0.381 4.731 4.350 -0.000 0.000 0.253 133 E C -1.686 174.808 176.600 -0.176 0.000 1.475 133 E CA -1.013 55.256 56.400 -0.219 0.000 0.933 133 E CB 0.355 29.862 29.700 -0.321 0.000 1.511 133 E HN 0.058 nan 8.360 nan 0.000 0.467 134 L N 1.248 122.319 121.223 -0.254 0.000 2.572 134 L HA 0.285 4.625 4.340 -0.000 0.000 0.249 134 L C -1.807 175.025 176.870 -0.062 0.000 1.114 134 L CA -0.204 54.573 54.840 -0.105 0.000 0.933 134 L CB 1.457 43.503 42.059 -0.022 0.000 1.131 134 L HN 0.544 nan 8.230 nan 0.000 0.507 135 V N 3.095 122.966 119.914 -0.072 0.000 2.655 135 V HA 0.479 4.599 4.120 -0.000 0.000 0.300 135 V C 0.217 176.320 176.094 0.015 0.000 1.044 135 V CA -0.100 62.198 62.300 -0.004 0.000 1.095 135 V CB 1.316 33.126 31.823 -0.020 0.000 0.952 135 V HN 0.370 nan 8.190 nan 0.000 0.485 136 V N 2.961 122.895 119.914 0.035 0.000 2.876 136 V HA 0.383 4.503 4.120 -0.000 0.000 0.312 136 V C -0.337 175.766 176.094 0.015 0.000 1.085 136 V CA -0.899 61.413 62.300 0.021 0.000 0.945 136 V CB 2.151 33.988 31.823 0.023 0.000 1.017 136 V HN 0.893 nan 8.190 nan 0.000 0.428 137 D N 1.624 122.029 120.400 0.009 0.000 2.372 137 D HA 0.328 4.968 4.640 -0.000 0.000 0.243 137 D C 0.573 176.876 176.300 0.006 0.000 1.121 137 D CA 0.569 54.572 54.000 0.006 0.000 0.898 137 D CB 1.972 42.774 40.800 0.004 0.000 1.202 137 D HN 0.462 nan 8.370 nan 0.000 0.428 138 V N -0.245 119.671 119.914 0.004 0.000 3.193 138 V HA 0.038 4.158 4.120 -0.000 0.000 0.237 138 V C 2.005 178.101 176.094 0.003 0.000 1.447 138 V CA 0.591 62.892 62.300 0.003 0.000 1.227 138 V CB -0.651 31.171 31.823 -0.001 0.000 1.040 138 V HN 0.542 nan 8.190 nan 0.000 0.458 139 T N 3.056 117.611 114.554 0.002 0.000 2.360 139 T HA -0.398 3.952 4.350 -0.000 0.000 0.226 139 T C 1.749 176.450 174.700 0.002 0.000 1.465 139 T CA 3.888 65.989 62.100 0.001 0.000 1.117 139 T CB -0.772 68.097 68.868 0.001 0.000 0.844 139 T HN 0.868 nan 8.240 nan 0.000 0.424 140 K N 1.146 121.547 120.400 0.002 0.000 2.108 140 K HA -0.224 4.096 4.320 -0.000 0.000 0.219 140 K C 1.138 177.740 176.600 0.003 0.000 1.054 140 K CA 1.602 57.889 56.287 0.001 0.000 0.945 140 K CB -1.047 31.453 32.500 0.000 0.000 0.728 140 K HN 0.400 nan 8.250 nan 0.000 0.462 141 M N 2.634 122.238 119.600 0.007 0.000 2.394 141 M HA -0.068 4.412 4.480 -0.000 0.000 0.394 141 M C 0.483 176.791 176.300 0.014 0.000 1.611 141 M CA 0.376 55.685 55.300 0.014 0.000 0.941 141 M CB -0.082 32.531 32.600 0.022 0.000 2.094 141 M HN 0.279 nan 8.290 nan 0.000 0.485 142 N N 3.648 122.357 118.700 0.014 0.000 2.178 142 N HA 0.414 5.154 4.740 -0.000 0.000 0.255 142 N C 0.187 175.710 175.510 0.021 0.000 1.245 142 N CA -0.068 52.989 53.050 0.013 0.000 0.893 142 N CB 0.273 38.763 38.487 0.006 0.000 1.211 142 N HN 0.533 nan 8.380 nan 0.000 0.383 143 I N 0.945 121.527 120.570 0.020 0.000 2.261 143 I HA 0.323 4.493 4.170 -0.000 0.000 0.285 143 I C 0.549 176.694 176.117 0.047 0.000 1.113 143 I CA -0.180 61.137 61.300 0.028 0.000 1.377 143 I CB -0.056 37.955 38.000 0.018 0.000 1.530 143 I HN 0.639 nan 8.210 nan 0.000 0.607 144 G N 1.806 110.656 108.800 0.083 0.000 2.161 144 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.140 144 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.140 144 G C -0.520 174.488 174.900 0.180 0.000 1.040 144 G CA -0.828 44.372 45.100 0.167 0.000 0.735 144 G HN 0.390 nan 8.290 nan 0.000 0.496 145 D N 1.351 121.836 120.400 0.142 0.000 2.336 145 D HA 0.429 5.069 4.640 -0.000 0.000 0.249 145 D C 0.463 176.908 176.300 0.241 0.000 1.213 145 D CA 0.307 54.361 54.000 0.089 0.000 0.870 145 D CB 0.132 40.956 40.800 0.041 0.000 1.076 145 D HN 0.616 nan 8.370 nan 0.000 0.483 146 H N 2.498 121.564 119.070 -0.007 0.000 2.459 146 H HA 0.404 4.960 4.556 -0.000 0.000 0.332 146 H C 0.053 175.376 175.328 -0.008 0.000 1.094 146 H CA -1.199 54.844 56.048 -0.008 0.000 1.224 146 H CB 1.725 31.483 29.762 -0.006 0.000 1.449 146 H HN 0.181 nan 8.280 nan 0.000 0.484 147 I N 2.476 123.113 120.570 0.112 0.000 2.607 147 I HA 0.257 4.427 4.170 -0.000 0.000 0.305 147 I C 0.960 177.107 176.117 0.050 0.000 0.995 147 I CA -0.555 60.778 61.300 0.056 0.000 1.148 147 I CB 1.671 39.690 38.000 0.031 0.000 1.323 147 I HN 0.765 nan 8.210 nan 0.000 0.461 148 T N -0.130 114.445 114.554 0.034 0.000 2.626 148 T HA 0.656 5.006 4.350 -0.000 0.000 0.279 148 T C 0.846 175.557 174.700 0.019 0.000 0.983 148 T CA -0.007 62.110 62.100 0.029 0.000 1.059 148 T CB 1.257 70.144 68.868 0.031 0.000 1.396 148 T HN 0.468 nan 8.240 nan 0.000 0.519 149 A N 0.140 122.971 122.820 0.018 0.000 1.929 149 A HA 0.312 4.632 4.320 -0.000 0.000 0.216 149 A C 2.283 179.875 177.584 0.012 0.000 1.176 149 A CA 1.525 53.571 52.037 0.015 0.000 0.628 149 A CB -1.612 17.397 19.000 0.015 0.000 0.816 149 A HN 1.179 nan 8.150 nan 0.000 0.444 150 G N -0.797 108.010 108.800 0.012 0.000 2.653 150 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.212 150 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.212 150 G C 0.639 175.543 174.900 0.008 0.000 1.138 150 G CA 1.092 46.198 45.100 0.009 0.000 0.782 150 G HN 0.502 nan 8.290 nan 0.000 0.535 151 D N 0.233 120.638 120.400 0.009 0.000 3.032 151 D HA 0.068 4.708 4.640 -0.000 0.000 0.280 151 D C 1.328 177.632 176.300 0.007 0.000 1.381 151 D CA -0.446 53.558 54.000 0.008 0.000 1.068 151 D CB -0.366 40.440 40.800 0.010 0.000 1.148 151 D HN 0.153 nan 8.370 nan 0.000 0.401 152 I N 3.064 123.639 120.570 0.009 0.000 3.398 152 I HA -0.196 3.974 4.170 -0.000 0.000 0.341 152 I C 0.514 176.634 176.117 0.005 0.000 1.242 152 I CA 0.485 61.789 61.300 0.008 0.000 1.442 152 I CB -0.064 37.943 38.000 0.010 0.000 1.342 152 I HN -0.142 nan 8.210 nan 0.000 0.488 153 K N 7.987 128.389 120.400 0.002 0.000 2.447 153 K HA 0.241 4.561 4.320 -0.000 0.000 0.281 153 K C -0.174 176.424 176.600 -0.002 0.000 1.031 153 K CA 0.025 56.312 56.287 -0.000 0.000 1.019 153 K CB 0.530 33.029 32.500 -0.002 0.000 0.918 153 K HN 0.490 nan 8.250 nan 0.000 0.476 154 L N 4.552 125.775 121.223 -0.001 0.000 2.375 154 L HA 0.312 4.652 4.340 -0.000 0.000 0.268 154 L C -1.407 175.460 176.870 -0.005 0.000 1.058 154 L CA -2.001 52.838 54.840 -0.002 0.000 0.803 154 L CB 0.810 42.870 42.059 0.001 0.000 1.212 154 L HN 0.427 nan 8.230 nan 0.000 0.451 155 P HA 0.029 nan 4.420 nan 0.000 0.244 155 P C -0.328 176.967 177.300 -0.007 0.000 1.769 155 P CA -0.117 62.978 63.100 -0.010 0.000 1.102 155 P CB 0.200 31.892 31.700 -0.013 0.000 1.937 156 E N 1.465 121.661 120.200 -0.006 0.000 1.820 156 E HA -0.228 4.122 4.350 -0.000 0.000 0.296 156 E C 0.861 177.459 176.600 -0.003 0.000 1.702 156 E CA 0.926 57.323 56.400 -0.005 0.000 1.076 156 E CB -1.091 28.605 29.700 -0.006 0.000 0.745 156 E HN 0.802 nan 8.360 nan 0.000 0.333 157 G N 2.113 110.912 108.800 -0.001 0.000 2.992 157 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.229 157 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.229 157 G C 0.297 175.199 174.900 0.004 0.000 1.969 157 G CA -0.345 44.756 45.100 0.001 0.000 1.603 157 G HN 0.934 nan 8.290 nan 0.000 0.573 158 C N 3.071 122.374 119.300 0.004 0.000 1.842 158 C HA 0.414 4.874 4.460 -0.000 0.000 0.412 158 C C 1.441 176.435 174.990 0.007 0.000 1.526 158 C CA 1.150 60.172 59.018 0.006 0.000 1.520 158 C CB -1.488 26.255 27.740 0.004 0.000 2.734 158 C HN 1.276 nan 8.230 nan 0.000 0.564 159 T N 2.312 116.872 114.554 0.009 0.000 2.855 159 T HA 0.603 4.953 4.350 -0.000 0.000 0.281 159 T C -0.572 174.135 174.700 0.010 0.000 1.007 159 T CA -0.932 61.173 62.100 0.009 0.000 1.009 159 T CB 0.808 69.682 68.868 0.010 0.000 0.983 159 T HN 0.462 nan 8.240 nan 0.000 0.455 160 L N 3.209 124.438 121.223 0.010 0.000 2.385 160 L HA 0.394 4.734 4.340 -0.000 0.000 0.281 160 L C 1.693 178.570 176.870 0.012 0.000 1.106 160 L CA -0.541 54.306 54.840 0.011 0.000 0.856 160 L CB 0.452 42.518 42.059 0.011 0.000 1.186 160 L HN 1.038 nan 8.230 nan 0.000 0.453 161 A N 3.468 126.295 122.820 0.012 0.000 2.014 161 A HA 0.176 4.496 4.320 -0.000 0.000 0.218 161 A C 1.331 178.922 177.584 0.012 0.000 1.163 161 A CA 0.831 52.875 52.037 0.012 0.000 0.652 161 A CB -0.131 18.876 19.000 0.012 0.000 0.808 161 A HN 0.694 nan 8.150 nan 0.000 0.449 162 A N 0.750 123.578 122.820 0.014 0.000 2.401 162 A HA 0.373 4.693 4.320 -0.000 0.000 0.259 162 A C 0.084 177.676 177.584 0.014 0.000 1.103 162 A CA -0.347 51.699 52.037 0.014 0.000 0.789 162 A CB 0.018 19.028 19.000 0.017 0.000 1.035 162 A HN 0.411 nan 8.150 nan 0.000 0.491 163 D N 3.123 123.531 120.400 0.013 0.000 2.493 163 D HA 0.027 4.667 4.640 -0.000 0.000 0.240 163 D C -1.376 174.933 176.300 0.014 0.000 1.142 163 D CA -0.996 53.012 54.000 0.013 0.000 0.872 163 D CB 0.871 41.679 40.800 0.013 0.000 1.173 163 D HN 0.192 nan 8.370 nan 0.000 0.467 164 P HA -0.189 nan 4.420 nan 0.000 0.209 164 P C 0.616 177.926 177.300 0.017 0.000 1.167 164 P CA 1.378 64.486 63.100 0.014 0.000 0.941 164 P CB 0.045 31.751 31.700 0.011 0.000 0.787 165 E N -0.846 119.365 120.200 0.017 0.000 2.526 165 E HA -0.111 4.238 4.350 -0.000 0.000 0.205 165 E C 0.373 176.991 176.600 0.030 0.000 1.104 165 E CA -0.033 56.380 56.400 0.022 0.000 0.899 165 E CB -0.674 29.038 29.700 0.020 0.000 0.838 165 E HN 0.137 nan 8.360 nan 0.000 0.564 166 L N 1.736 122.974 121.223 0.025 0.000 2.313 166 L HA 0.065 4.405 4.340 -0.000 0.000 0.282 166 L C -0.168 176.718 176.870 0.027 0.000 1.092 166 L CA 0.234 55.088 54.840 0.024 0.000 0.831 166 L CB 1.043 43.113 42.059 0.019 0.000 1.159 166 L HN -0.253 nan 8.230 nan 0.000 0.442 167 T N 5.055 119.627 114.554 0.029 0.000 2.853 167 T HA 0.137 4.487 4.350 -0.000 0.000 0.298 167 T C 1.329 176.032 174.700 0.004 0.000 0.978 167 T CA -0.289 61.827 62.100 0.027 0.000 1.152 167 T CB 0.990 69.865 68.868 0.011 0.000 0.914 167 T HN 0.521 nan 8.240 nan 0.000 0.539 168 V N 3.676 123.593 119.914 0.004 0.000 2.795 168 V HA 0.139 4.259 4.120 -0.000 0.000 0.243 168 V C 0.674 176.745 176.094 -0.038 0.000 1.069 168 V CA 0.625 62.918 62.300 -0.012 0.000 1.089 168 V CB 0.460 32.281 31.823 -0.004 0.000 0.756 168 V HN 0.812 nan 8.190 nan 0.000 0.471 169 V N -2.428 117.471 119.914 -0.025 0.000 3.048 169 V HA 0.885 5.005 4.120 -0.000 0.000 0.303 169 V C -1.007 175.078 176.094 -0.014 0.000 1.214 169 V CA -0.221 62.054 62.300 -0.041 0.000 0.984 169 V CB 1.951 33.749 31.823 -0.043 0.000 1.054 169 V HN 0.075 nan 8.190 nan 0.000 0.430 170 S N 2.288 117.964 115.700 -0.039 0.000 2.618 170 S HA 0.826 5.296 4.470 -0.000 0.000 0.277 170 S C -1.131 173.463 174.600 -0.010 0.000 1.138 170 S CA -0.410 57.782 58.200 -0.012 0.000 0.844 170 S CB 2.158 65.244 63.200 -0.190 0.000 1.127 170 S HN 1.519 nan 8.310 nan 0.000 0.474 171 V N 4.180 124.112 119.914 0.031 0.000 2.304 171 V HA 0.378 4.498 4.120 -0.000 0.000 0.269 171 V C 0.168 176.268 176.094 0.009 0.000 1.036 171 V CA -0.579 61.729 62.300 0.013 0.000 0.840 171 V CB 0.440 32.277 31.823 0.023 0.000 1.036 171 V HN 0.766 nan 8.190 nan 0.000 0.466 172 L N 8.286 129.501 121.223 -0.013 0.000 2.456 172 L HA 0.238 4.578 4.340 -0.000 0.000 0.272 172 L C -1.375 175.494 176.870 -0.001 0.000 1.189 172 L CA -1.177 53.655 54.840 -0.014 0.000 0.846 172 L CB 1.110 43.154 42.059 -0.025 0.000 1.111 172 L HN 0.414 nan 8.230 nan 0.000 0.475 173 P HA 0.134 nan 4.420 nan 0.000 0.280 173 P C -2.586 174.716 177.300 0.002 0.000 1.278 173 P CA -0.884 62.220 63.100 0.007 0.000 0.787 173 P CB -0.540 31.166 31.700 0.011 0.000 1.163 174 P HA 0.158 nan 4.420 nan 0.000 0.297 174 P C -0.708 176.593 177.300 0.000 0.000 1.303 174 P CA -0.581 62.519 63.100 0.001 0.000 0.753 174 P CB 0.631 32.332 31.700 0.002 0.000 1.281 175 R N 0.000 120.500 120.500 -0.000 0.000 2.786 175 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 175 R CA 0.000 56.100 56.100 -0.000 0.000 0.921 175 R CB 0.000 30.300 30.300 0.000 0.000 0.687 175 R HN 0.000 nan 8.270 nan 0.000 0.535