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 1ecw_1_A DATA FIRST_RESID 6 DATA SEQUENCE SVLSGKKADE LEKIRLRPGG KKKYMLKHVV WAANELDRFG LAESLLENKE DATA SEQUENCE GCQKILSVLA PLVPTGSENL KSLYNTVCVI WCIHAEEKVK HTEEAKQIVQ DATA SEQUENCE RHLVVETGTA ETMP 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 6 S HA 0.000 nan 4.470 nan 0.000 0.327 6 S C 0.000 174.624 174.600 0.041 0.000 1.055 6 S CA 0.000 58.218 58.200 0.029 0.000 1.107 6 S CB 0.000 63.216 63.200 0.027 0.000 0.593 7 V N 0.271 120.214 119.914 0.047 0.000 0.635 7 V HA -0.298 3.823 4.120 0.001 0.000 0.092 7 V C 0.197 176.346 176.094 0.090 0.000 1.463 7 V CA 2.064 64.406 62.300 0.071 0.000 3.271 7 V CB -1.496 30.372 31.823 0.074 0.000 0.530 7 V HN 0.758 nan 8.190 nan 0.000 0.535 8 L N 1.121 122.382 121.223 0.063 0.000 2.264 8 L HA 0.546 4.886 4.340 0.001 0.000 0.289 8 L C 0.672 177.561 176.870 0.031 0.000 1.044 8 L CA 0.329 55.195 54.840 0.042 0.000 0.807 8 L CB 1.509 43.567 42.059 -0.002 0.000 1.192 8 L HN 0.497 nan 8.230 nan 0.000 0.425 9 S N 2.115 117.835 115.700 0.033 0.000 2.641 9 S HA 0.111 4.582 4.470 0.001 0.000 0.251 9 S C 1.365 175.970 174.600 0.009 0.000 1.332 9 S CA 0.444 58.656 58.200 0.020 0.000 0.968 9 S CB 0.964 64.175 63.200 0.019 0.000 0.987 9 S HN 0.825 nan 8.310 nan 0.000 0.587 10 G N 0.632 109.436 108.800 0.006 0.000 2.453 10 G HA2 -0.212 3.749 3.960 0.001 0.000 0.215 10 G HA3 -0.212 3.749 3.960 0.001 0.000 0.215 10 G C 1.330 176.229 174.900 -0.002 0.000 1.201 10 G CA 1.212 46.314 45.100 0.003 0.000 0.784 10 G HN 0.723 nan 8.290 nan 0.000 0.545 11 K N 0.517 120.913 120.400 -0.006 0.000 2.147 11 K HA -0.039 4.281 4.320 0.001 0.000 0.205 11 K C 2.406 178.992 176.600 -0.024 0.000 1.049 11 K CA 1.233 57.512 56.287 -0.014 0.000 0.936 11 K CB -0.121 32.369 32.500 -0.015 0.000 0.722 11 K HN 0.232 nan 8.250 nan 0.000 0.446 12 K N -0.248 120.135 120.400 -0.027 0.000 2.155 12 K HA -0.030 4.290 4.320 0.001 0.000 0.203 12 K C 2.039 178.609 176.600 -0.050 0.000 1.052 12 K CA 0.962 57.216 56.287 -0.055 0.000 0.948 12 K CB 0.015 32.477 32.500 -0.063 0.000 0.728 12 K HN 0.183 nan 8.250 nan 0.000 0.448 13 A N 1.664 124.471 122.820 -0.021 0.000 2.014 13 A HA -0.154 4.166 4.320 0.001 0.000 0.218 13 A C 1.444 179.029 177.584 0.002 0.000 1.163 13 A CA 1.501 53.536 52.037 -0.004 0.000 0.652 13 A CB -0.189 18.818 19.000 0.011 0.000 0.808 13 A HN 0.143 nan 8.150 nan 0.000 0.449 14 D N -0.049 120.348 120.400 -0.004 0.000 2.144 14 D HA -0.102 4.538 4.640 0.001 0.000 0.200 14 D C 1.805 178.102 176.300 -0.005 0.000 0.978 14 D CA 1.009 55.009 54.000 -0.000 0.000 0.833 14 D CB -0.191 40.607 40.800 -0.004 0.000 0.961 14 D HN 0.375 nan 8.370 nan 0.000 0.470 15 E N 0.833 121.019 120.200 -0.024 0.000 2.106 15 E HA -0.096 4.254 4.350 0.001 0.000 0.192 15 E C 2.250 178.831 176.600 -0.032 0.000 0.984 15 E CA -0.024 56.354 56.400 -0.036 0.000 0.806 15 E CB -0.359 29.302 29.700 -0.064 0.000 0.750 15 E HN 0.271 nan 8.360 nan 0.000 0.458 16 L N 1.336 122.538 121.223 -0.034 0.000 2.012 16 L HA -0.212 4.128 4.340 0.001 0.000 0.210 16 L C 1.753 178.659 176.870 0.060 0.000 1.073 16 L CA 1.814 56.642 54.840 -0.019 0.000 0.748 16 L CB -0.415 41.642 42.059 -0.003 0.000 0.891 16 L HN 0.142 nan 8.230 nan 0.000 0.431 17 E N -0.434 119.804 120.200 0.063 0.000 2.401 17 E HA -0.211 4.139 4.350 0.001 0.000 0.199 17 E C 1.658 178.299 176.600 0.068 0.000 1.023 17 E CA 0.635 57.084 56.400 0.081 0.000 0.859 17 E CB 0.108 29.843 29.700 0.058 0.000 0.780 17 E HN 0.524 nan 8.360 nan 0.000 0.523 18 K N 0.157 120.586 120.400 0.048 0.000 2.393 18 K HA 0.152 4.472 4.320 0.001 0.000 0.193 18 K C 0.317 176.950 176.600 0.055 0.000 1.026 18 K CA 0.103 56.413 56.287 0.038 0.000 1.064 18 K CB 0.566 33.075 32.500 0.014 0.000 0.833 18 K HN 0.066 nan 8.250 nan 0.000 0.521 19 I N 2.103 122.727 120.570 0.090 0.000 2.342 19 I HA 0.135 4.305 4.170 0.001 0.000 0.291 19 I C 0.123 176.376 176.117 0.226 0.000 1.010 19 I CA -0.606 60.775 61.300 0.135 0.000 1.308 19 I CB 1.036 39.091 38.000 0.093 0.000 1.400 19 I HN -0.076 nan 8.210 nan 0.000 0.488 20 R N 5.009 125.617 120.500 0.180 0.000 2.441 20 R HA 0.283 4.623 4.340 0.001 0.000 0.284 20 R C 0.960 177.337 176.300 0.127 0.000 1.070 20 R CA -0.486 55.689 56.100 0.126 0.000 1.047 20 R CB 1.020 31.392 30.300 0.119 0.000 1.016 20 R HN 0.653 nan 8.270 nan 0.000 0.477 21 L N 1.907 123.065 121.223 -0.110 0.000 2.083 21 L HA -0.113 4.227 4.340 0.001 0.000 0.209 21 L C 0.700 177.530 176.870 -0.066 0.000 1.083 21 L CA 1.558 56.237 54.840 -0.270 0.000 0.752 21 L CB -0.159 41.637 42.059 -0.440 0.000 0.899 21 L HN 0.445 nan 8.230 nan 0.000 0.433 22 R N -1.681 118.786 120.500 -0.054 0.000 2.725 22 R HA 0.260 4.600 4.340 0.001 0.000 0.277 22 R C -1.943 174.275 176.300 -0.138 0.000 0.987 22 R CA -1.809 54.240 56.100 -0.085 0.000 0.901 22 R CB 1.206 31.452 30.300 -0.091 0.000 1.207 22 R HN -0.333 nan 8.270 nan 0.000 0.463 23 P HA -0.210 nan 4.420 nan 0.000 0.217 23 P C 0.926 178.128 177.300 -0.164 0.000 1.148 23 P CA 1.605 64.385 63.100 -0.533 0.000 0.834 23 P CB 0.300 31.657 31.700 -0.571 0.000 0.783 24 G N -1.297 107.436 108.800 -0.112 0.000 2.556 24 G HA2 0.139 4.100 3.960 0.001 0.000 0.209 24 G HA3 0.139 4.100 3.960 0.001 0.000 0.209 24 G C 0.912 175.794 174.900 -0.031 0.000 1.159 24 G CA 0.442 45.510 45.100 -0.054 0.000 0.828 24 G HN 0.430 nan 8.290 nan 0.000 0.553 25 G N -0.269 108.506 108.800 -0.040 0.000 2.825 25 G HA2 0.224 4.184 3.960 0.001 0.000 0.241 25 G HA3 0.224 4.184 3.960 0.001 0.000 0.241 25 G C 0.590 175.481 174.900 -0.016 0.000 1.239 25 G CA -0.201 44.880 45.100 -0.032 0.000 0.859 25 G HN 0.303 nan 8.290 nan 0.000 0.598 26 K N -0.497 119.894 120.400 -0.016 0.000 2.354 26 K HA 0.061 4.382 4.320 0.001 0.000 0.194 26 K C 0.701 177.293 176.600 -0.012 0.000 1.038 26 K CA 0.027 56.310 56.287 -0.007 0.000 1.052 26 K CB 0.318 32.815 32.500 -0.005 0.000 0.861 26 K HN 0.331 nan 8.250 nan 0.000 0.535 27 K N 1.960 122.342 120.400 -0.031 0.000 2.401 27 K HA 0.090 4.410 4.320 0.001 0.000 0.278 27 K C -0.236 176.327 176.600 -0.063 0.000 1.018 27 K CA 0.579 56.839 56.287 -0.044 0.000 0.981 27 K CB 0.785 33.247 32.500 -0.064 0.000 0.933 27 K HN -0.074 nan 8.250 nan 0.000 0.477 28 K N 1.779 122.155 120.400 -0.040 0.000 2.295 28 K HA 0.272 4.593 4.320 0.001 0.000 0.239 28 K C -0.779 175.789 176.600 -0.052 0.000 0.991 28 K CA -0.944 55.329 56.287 -0.024 0.000 0.845 28 K CB 0.944 33.473 32.500 0.048 0.000 1.197 28 K HN 0.293 nan 8.250 nan 0.000 0.441 29 Y N 1.264 121.548 120.300 -0.026 0.000 2.480 29 Y HA 0.067 4.618 4.550 0.000 0.000 0.338 29 Y C 0.671 176.668 175.900 0.162 0.000 1.220 29 Y CA 0.717 58.812 58.100 -0.009 0.000 1.430 29 Y CB 0.500 38.928 38.460 -0.052 0.000 1.311 29 Y HN 0.256 nan 8.280 nan 0.000 0.575 30 M N 1.429 121.344 119.600 0.525 0.000 2.744 30 M HA 0.161 4.641 4.480 0.001 0.000 0.283 30 M C 0.069 176.509 176.300 0.234 0.000 1.275 30 M CA -0.977 54.484 55.300 0.268 0.000 0.796 30 M CB 1.295 33.975 32.600 0.133 0.000 1.739 30 M HN 0.443 nan 8.290 nan 0.000 0.454 31 L N 1.394 122.688 121.223 0.117 0.000 2.131 31 L HA -0.141 4.199 4.340 0.001 0.000 0.210 31 L C 2.314 179.230 176.870 0.077 0.000 1.092 31 L CA 1.963 56.860 54.840 0.095 0.000 0.759 31 L CB -0.903 41.191 42.059 0.059 0.000 0.903 31 L HN 0.670 nan 8.230 nan 0.000 0.435 32 K N -1.890 118.505 120.400 -0.009 0.000 2.211 32 K HA -0.218 4.103 4.320 0.001 0.000 0.204 32 K C 1.824 178.400 176.600 -0.041 0.000 1.047 32 K CA 1.946 58.192 56.287 -0.069 0.000 0.935 32 K CB -0.649 31.735 32.500 -0.193 0.000 0.728 32 K HN 0.372 nan 8.250 nan 0.000 0.452 33 H N 0.278 119.434 119.070 0.145 0.000 2.428 33 H HA 0.001 4.557 4.556 0.001 0.000 0.296 33 H C 1.985 177.493 175.328 0.300 0.000 1.062 33 H CA 1.305 57.480 56.048 0.213 0.000 1.350 33 H CB 0.227 30.138 29.762 0.249 0.000 1.403 33 H HN -0.028 nan 8.280 nan 0.000 0.533 34 V N -0.056 120.049 119.914 0.317 0.000 2.488 34 V HA -0.164 3.957 4.120 0.001 0.000 0.246 34 V C 2.228 178.441 176.094 0.199 0.000 1.046 34 V CA 1.048 63.488 62.300 0.233 0.000 1.053 34 V CB -0.268 31.646 31.823 0.150 0.000 0.679 34 V HN 0.256 nan 8.190 nan 0.000 0.458 35 V N -0.943 119.078 119.914 0.179 0.000 2.358 35 V HA -0.248 3.872 4.120 0.001 0.000 0.246 35 V C 2.024 178.221 176.094 0.171 0.000 1.047 35 V CA 2.186 64.567 62.300 0.135 0.000 1.035 35 V CB -0.696 31.189 31.823 0.103 0.000 0.658 35 V HN 0.782 nan 8.190 nan 0.000 0.452 36 W N 1.149 122.479 121.300 0.050 0.000 2.358 36 W HA -0.180 4.480 4.660 0.001 0.000 0.303 36 W C 2.438 179.007 176.519 0.084 0.000 1.208 36 W CA 2.103 59.483 57.345 0.058 0.000 1.274 36 W CB -0.296 29.205 29.460 0.067 0.000 1.138 36 W HN 0.182 nan 8.180 nan 0.000 0.515 37 A N 0.739 123.751 122.820 0.320 0.000 1.902 37 A HA -0.084 4.237 4.320 0.001 0.000 0.217 37 A C 2.098 179.657 177.584 -0.041 0.000 1.181 37 A CA 2.565 54.672 52.037 0.116 0.000 0.623 37 A CB -1.570 17.601 19.000 0.284 0.000 0.818 37 A HN 0.434 nan 8.150 nan 0.000 0.443 38 A N 0.209 123.039 122.820 0.017 0.000 1.908 38 A HA -0.238 4.082 4.320 0.001 0.000 0.218 38 A C 1.919 179.458 177.584 -0.076 0.000 1.181 38 A CA 1.778 53.811 52.037 -0.007 0.000 0.627 38 A CB -0.881 18.134 19.000 0.024 0.000 0.818 38 A HN 0.736 nan 8.150 nan 0.000 0.445 39 N N -1.144 117.477 118.700 -0.131 0.000 2.188 39 N HA -0.150 4.590 4.740 0.001 0.000 0.184 39 N C 1.774 177.109 175.510 -0.292 0.000 1.018 39 N CA 1.112 54.051 53.050 -0.185 0.000 0.858 39 N CB -0.082 38.294 38.487 -0.184 0.000 0.989 39 N HN 0.496 nan 8.380 nan 0.000 0.426 40 E N 1.236 121.166 120.200 -0.450 0.000 2.152 40 E HA -0.011 4.339 4.350 0.001 0.000 0.192 40 E C 1.815 178.294 176.600 -0.201 0.000 0.983 40 E CA 0.590 56.691 56.400 -0.499 0.000 0.818 40 E CB -0.037 29.157 29.700 -0.845 0.000 0.758 40 E HN 0.294 nan 8.360 nan 0.000 0.467 41 L N 0.091 121.264 121.223 -0.084 0.000 2.056 41 L HA -0.157 4.183 4.340 0.001 0.000 0.207 41 L C 2.124 178.999 176.870 0.008 0.000 1.078 41 L CA 1.611 56.479 54.840 0.047 0.000 0.749 41 L CB -0.338 41.743 42.059 0.037 0.000 0.901 41 L HN 0.188 nan 8.230 nan 0.000 0.433 42 D N 0.001 120.362 120.400 -0.065 0.000 2.104 42 D HA -0.260 4.380 4.640 0.001 0.000 0.194 42 D C 2.376 178.610 176.300 -0.109 0.000 0.994 42 D CA 1.159 55.118 54.000 -0.069 0.000 0.830 42 D CB 0.011 40.761 40.800 -0.082 0.000 0.959 42 D HN 0.022 nan 8.370 nan 0.000 0.452 43 R N -0.476 119.890 120.500 -0.224 0.000 2.117 43 R HA -0.158 4.182 4.340 0.001 0.000 0.243 43 R C 1.336 177.418 176.300 -0.364 0.000 1.143 43 R CA 1.208 57.094 56.100 -0.357 0.000 0.968 43 R CB -0.509 29.445 30.300 -0.577 0.000 0.863 43 R HN 0.321 nan 8.270 nan 0.000 0.444 44 F N -0.137 119.782 119.950 -0.052 0.000 2.692 44 F HA 0.239 4.766 4.527 0.001 0.000 0.303 44 F C 1.446 177.233 175.800 -0.021 0.000 1.114 44 F CA 0.320 58.302 58.000 -0.031 0.000 1.361 44 F CB 0.728 39.713 39.000 -0.026 0.000 1.063 44 F HN 0.330 nan 8.300 nan 0.000 0.550 45 G N 1.117 109.970 108.800 0.088 0.000 2.153 45 G HA2 -0.312 3.649 3.960 0.001 0.000 0.252 45 G HA3 -0.312 3.649 3.960 0.001 0.000 0.252 45 G C -0.051 174.885 174.900 0.060 0.000 0.994 45 G CA -0.101 45.035 45.100 0.059 0.000 0.698 45 G HN 0.307 nan 8.290 nan 0.000 0.521 46 L N 0.204 121.470 121.223 0.073 0.000 2.344 46 L HA 0.782 5.123 4.340 0.001 0.000 0.272 46 L C 0.954 177.846 176.870 0.037 0.000 1.035 46 L CA -0.604 54.270 54.840 0.058 0.000 0.807 46 L CB 1.776 43.880 42.059 0.075 0.000 1.237 46 L HN 0.261 nan 8.230 nan 0.000 0.442 47 A N 1.148 123.986 122.820 0.030 0.000 2.409 47 A HA 0.189 4.509 4.320 0.001 0.000 0.267 47 A C 1.044 178.642 177.584 0.024 0.000 1.127 47 A CA -0.326 51.723 52.037 0.021 0.000 0.795 47 A CB 0.036 19.046 19.000 0.017 0.000 1.061 47 A HN 0.933 nan 8.150 nan 0.000 0.502 48 E N 2.507 122.718 120.200 0.018 0.000 2.338 48 E HA -0.179 4.171 4.350 0.001 0.000 0.197 48 E C 1.402 178.020 176.600 0.029 0.000 1.007 48 E CA 1.329 57.744 56.400 0.024 0.000 0.849 48 E CB -0.249 29.460 29.700 0.015 0.000 0.774 48 E HN 0.713 nan 8.360 nan 0.000 0.506 49 S N 1.180 116.893 115.700 0.021 0.000 2.474 49 S HA -0.060 4.411 4.470 0.001 0.000 0.235 49 S C 1.944 176.554 174.600 0.016 0.000 0.997 49 S CA 0.517 58.727 58.200 0.017 0.000 0.949 49 S CB -0.526 62.679 63.200 0.008 0.000 0.766 49 S HN 0.296 nan 8.310 nan 0.000 0.517 50 L N 0.450 121.688 121.223 0.024 0.000 2.362 50 L HA 0.080 4.421 4.340 0.001 0.000 0.219 50 L C 2.168 179.064 176.870 0.043 0.000 1.134 50 L CA 0.706 55.562 54.840 0.027 0.000 0.807 50 L CB -0.570 41.511 42.059 0.037 0.000 0.927 50 L HN 0.340 nan 8.230 nan 0.000 0.447 51 L N -0.531 120.731 121.223 0.064 0.000 2.465 51 L HA -0.117 4.224 4.340 0.001 0.000 0.224 51 L C 2.113 179.077 176.870 0.157 0.000 1.145 51 L CA 0.663 55.574 54.840 0.118 0.000 0.834 51 L CB -0.313 41.813 42.059 0.111 0.000 0.944 51 L HN 0.312 nan 8.230 nan 0.000 0.451 52 E N 0.661 120.886 120.200 0.041 0.000 2.338 52 E HA -0.095 4.256 4.350 0.001 0.000 0.197 52 E C -0.095 176.290 176.600 -0.358 0.000 1.007 52 E CA 0.397 56.779 56.400 -0.029 0.000 0.849 52 E CB 0.005 29.688 29.700 -0.028 0.000 0.774 52 E HN 0.652 nan 8.360 nan 0.000 0.506 53 N N -1.370 117.026 118.700 -0.507 0.000 2.825 53 N HA 0.057 4.797 4.740 0.001 0.000 0.253 53 N C -0.113 175.101 175.510 -0.493 0.000 1.426 53 N CA -0.809 51.782 53.050 -0.765 0.000 0.851 53 N CB 0.894 39.174 38.487 -0.345 0.000 1.470 53 N HN -0.279 nan 8.380 nan 0.000 0.517 54 K N -0.331 119.837 120.400 -0.387 0.000 2.063 54 K HA -0.174 4.146 4.320 0.001 0.000 0.208 54 K C 0.615 177.240 176.600 0.043 0.000 1.048 54 K CA 1.864 58.054 56.287 -0.163 0.000 0.928 54 K CB -0.037 32.306 32.500 -0.261 0.000 0.713 54 K HN 0.575 nan 8.250 nan 0.000 0.442 55 E N -0.578 119.620 120.200 -0.004 0.000 2.072 55 E HA -0.090 4.260 4.350 0.001 0.000 0.191 55 E C 1.879 178.514 176.600 0.058 0.000 0.985 55 E CA 1.294 57.722 56.400 0.048 0.000 0.801 55 E CB -0.379 29.326 29.700 0.009 0.000 0.750 55 E HN 0.513 nan 8.360 nan 0.000 0.452 56 G N -0.041 108.771 108.800 0.020 0.000 2.422 56 G HA2 -0.276 3.685 3.960 0.001 0.000 0.218 56 G HA3 -0.276 3.685 3.960 0.001 0.000 0.218 56 G C 1.683 176.630 174.900 0.078 0.000 1.146 56 G CA 0.981 46.099 45.100 0.032 0.000 0.769 56 G HN 0.343 nan 8.290 nan 0.000 0.547 57 C N 0.104 119.484 119.300 0.134 0.000 2.440 57 C HA 0.000 4.460 4.460 0.001 0.000 0.278 57 C C 2.947 178.041 174.990 0.173 0.000 1.295 57 C CA 0.860 59.997 59.018 0.198 0.000 1.738 57 C CB -0.822 27.124 27.740 0.343 0.000 1.987 57 C HN 0.525 nan 8.230 nan 0.000 0.492 58 Q N 0.656 120.584 119.800 0.213 0.000 2.124 58 Q HA -0.177 4.163 4.340 0.001 0.000 0.202 58 Q C 2.225 178.254 176.000 0.049 0.000 0.977 58 Q CA 1.353 57.216 55.803 0.101 0.000 0.850 58 Q CB -0.104 28.727 28.738 0.155 0.000 0.901 58 Q HN 0.665 nan 8.270 nan 0.000 0.429 59 K N 0.514 120.951 120.400 0.060 0.000 2.026 59 K HA -0.133 4.187 4.320 0.001 0.000 0.208 59 K C 2.043 178.665 176.600 0.036 0.000 1.048 59 K CA 1.233 57.544 56.287 0.041 0.000 0.929 59 K CB -0.146 32.376 32.500 0.038 0.000 0.713 59 K HN 0.185 nan 8.250 nan 0.000 0.439 60 I N 0.808 121.405 120.570 0.044 0.000 2.179 60 I HA -0.284 3.886 4.170 0.001 0.000 0.242 60 I C 2.099 178.241 176.117 0.042 0.000 1.088 60 I CA 0.820 62.146 61.300 0.043 0.000 1.357 60 I CB -0.240 37.791 38.000 0.052 0.000 1.051 60 I HN 0.087 nan 8.210 nan 0.000 0.409 61 L N 0.803 122.038 121.223 0.019 0.000 2.079 61 L HA -0.201 4.139 4.340 0.001 0.000 0.210 61 L C 2.829 179.746 176.870 0.078 0.000 1.081 61 L CA 2.196 57.049 54.840 0.021 0.000 0.752 61 L CB -1.033 40.957 42.059 -0.116 0.000 0.896 61 L HN 0.369 nan 8.230 nan 0.000 0.433 62 S N -1.646 114.074 115.700 0.033 0.000 2.436 62 S HA -0.086 4.384 4.470 0.001 0.000 0.228 62 S C 1.913 176.525 174.600 0.021 0.000 1.014 62 S CA 0.852 59.068 58.200 0.026 0.000 0.950 62 S CB -0.942 62.265 63.200 0.012 0.000 0.784 62 S HN 0.313 nan 8.310 nan 0.000 0.504 63 V N -1.016 118.910 119.914 0.021 0.000 2.788 63 V HA 0.192 4.312 4.120 0.001 0.000 0.251 63 V C 2.014 178.100 176.094 -0.013 0.000 1.068 63 V CA 0.753 63.055 62.300 0.003 0.000 1.090 63 V CB -0.699 31.126 31.823 0.004 0.000 0.710 63 V HN 0.341 nan 8.190 nan 0.000 0.467 64 L N 1.032 122.265 121.223 0.017 0.000 2.162 64 L HA 0.395 4.735 4.340 0.001 0.000 0.205 64 L C 2.850 179.705 176.870 -0.025 0.000 1.086 64 L CA 1.782 56.626 54.840 0.006 0.000 0.778 64 L CB -1.276 40.856 42.059 0.121 0.000 0.928 64 L HN 0.347 nan 8.230 nan 0.000 0.446 65 A N 1.093 123.930 122.820 0.029 0.000 1.884 65 A HA -0.197 4.123 4.320 0.001 0.000 0.219 65 A C -0.005 177.498 177.584 -0.135 0.000 1.197 65 A CA 2.398 54.388 52.037 -0.079 0.000 0.637 65 A CB -2.154 16.861 19.000 0.024 0.000 0.827 65 A HN 0.406 nan 8.150 nan 0.000 0.450 66 P HA -0.101 nan 4.420 nan 0.000 0.220 66 P C 1.259 178.502 177.300 -0.096 0.000 1.148 66 P CA 0.952 64.005 63.100 -0.079 0.000 0.803 66 P CB -0.194 31.474 31.700 -0.052 0.000 0.782 67 L N -1.245 119.910 121.223 -0.114 0.000 2.418 67 L HA -0.009 4.331 4.340 0.001 0.000 0.218 67 L C 2.578 179.361 176.870 -0.145 0.000 1.125 67 L CA 0.352 55.118 54.840 -0.123 0.000 0.835 67 L CB -0.759 41.213 42.059 -0.146 0.000 0.953 67 L HN -0.195 nan 8.230 nan 0.000 0.454 68 V N 0.867 120.659 119.914 -0.204 0.000 2.287 68 V HA -0.168 3.953 4.120 0.001 0.000 0.248 68 V C 0.057 176.052 176.094 -0.164 0.000 1.053 68 V CA 1.953 64.106 62.300 -0.245 0.000 1.027 68 V CB -1.572 29.956 31.823 -0.492 0.000 0.646 68 V HN 0.361 nan 8.190 nan 0.000 0.447 69 P HA -0.116 nan 4.420 nan 0.000 0.218 69 P C 1.249 178.511 177.300 -0.064 0.000 1.146 69 P CA 1.991 65.035 63.100 -0.092 0.000 0.813 69 P CB -0.146 31.506 31.700 -0.080 0.000 0.778 70 T N -5.584 108.933 114.554 -0.061 0.000 3.200 70 T HA 0.409 4.759 4.350 0.001 0.000 0.284 70 T C 0.813 175.492 174.700 -0.033 0.000 1.009 70 T CA -0.423 61.653 62.100 -0.039 0.000 0.907 70 T CB -0.239 68.609 68.868 -0.033 0.000 1.120 70 T HN -0.018 nan 8.240 nan 0.000 0.534 71 G N 1.724 110.495 108.800 -0.047 0.000 2.507 71 G HA2 0.478 4.438 3.960 0.001 0.000 0.271 71 G HA3 0.478 4.438 3.960 0.001 0.000 0.271 71 G C 0.196 175.101 174.900 0.008 0.000 1.189 71 G CA -0.320 44.761 45.100 -0.033 0.000 0.859 71 G HN 0.559 nan 8.290 nan 0.000 0.542 72 S N 0.252 115.979 115.700 0.044 0.000 2.617 72 S HA 0.142 4.613 4.470 0.001 0.000 0.259 72 S C 1.046 175.703 174.600 0.095 0.000 1.301 72 S CA -0.295 57.952 58.200 0.078 0.000 0.984 72 S CB 1.157 64.431 63.200 0.123 0.000 0.954 72 S HN 0.580 nan 8.310 nan 0.000 0.572 73 E N 1.111 121.372 120.200 0.102 0.000 2.153 73 E HA -0.132 4.218 4.350 0.001 0.000 0.194 73 E C 1.749 178.458 176.600 0.181 0.000 0.988 73 E CA 1.096 57.562 56.400 0.110 0.000 0.811 73 E CB -0.712 29.039 29.700 0.085 0.000 0.746 73 E HN 0.716 nan 8.360 nan 0.000 0.466 74 N N 0.491 119.337 118.700 0.245 0.000 2.142 74 N HA -0.109 4.632 4.740 0.001 0.000 0.186 74 N C 1.865 177.622 175.510 0.412 0.000 1.023 74 N CA 0.293 53.586 53.050 0.404 0.000 0.852 74 N CB 0.005 38.732 38.487 0.400 0.000 0.998 74 N HN 0.067 nan 8.380 nan 0.000 0.424 75 L N 2.146 123.535 121.223 0.276 0.000 2.017 75 L HA -0.139 4.201 4.340 0.001 0.000 0.208 75 L C 1.724 178.690 176.870 0.160 0.000 1.073 75 L CA 1.850 56.773 54.840 0.138 0.000 0.745 75 L CB -0.517 41.528 42.059 -0.023 0.000 0.894 75 L HN 0.073 nan 8.230 nan 0.000 0.432 76 K N -0.714 119.773 120.400 0.144 0.000 2.097 76 K HA -0.098 4.222 4.320 0.001 0.000 0.206 76 K C 2.099 178.839 176.600 0.235 0.000 1.049 76 K CA 1.510 57.883 56.287 0.144 0.000 0.933 76 K CB -0.026 32.521 32.500 0.078 0.000 0.717 76 K HN 0.231 nan 8.250 nan 0.000 0.442 77 S N 1.059 116.915 115.700 0.261 0.000 2.387 77 S HA -0.075 4.395 4.470 0.001 0.000 0.226 77 S C 1.735 176.583 174.600 0.413 0.000 1.026 77 S CA 0.688 59.050 58.200 0.269 0.000 0.972 77 S CB -0.140 63.167 63.200 0.178 0.000 0.814 77 S HN 0.171 nan 8.310 nan 0.000 0.477 78 L N 0.853 122.389 121.223 0.521 0.000 2.017 78 L HA -0.053 4.287 4.340 0.001 0.000 0.208 78 L C 1.988 179.042 176.870 0.307 0.000 1.073 78 L CA 1.797 56.918 54.840 0.469 0.000 0.745 78 L CB -0.982 41.269 42.059 0.321 0.000 0.894 78 L HN 0.375 nan 8.230 nan 0.000 0.432 79 Y N 0.365 120.750 120.300 0.141 0.000 2.165 79 Y HA -0.284 4.266 4.550 0.000 0.000 0.286 79 Y C 2.366 178.319 175.900 0.087 0.000 1.155 79 Y CA 2.109 60.255 58.100 0.077 0.000 1.164 79 Y CB -0.287 38.192 38.460 0.031 0.000 0.978 79 Y HN 0.356 nan 8.280 nan 0.000 0.513 80 N N -0.571 118.268 118.700 0.232 0.000 2.120 80 N HA -0.153 4.587 4.740 0.001 0.000 0.188 80 N C 1.770 177.322 175.510 0.070 0.000 1.024 80 N CA 2.037 55.173 53.050 0.144 0.000 0.852 80 N CB -0.802 37.809 38.487 0.206 0.000 1.003 80 N HN 0.374 nan 8.380 nan 0.000 0.424 81 T N 0.560 115.203 114.554 0.149 0.000 2.777 81 T HA -0.018 4.332 4.350 0.001 0.000 0.266 81 T C 2.096 176.802 174.700 0.011 0.000 1.040 81 T CA 0.701 62.876 62.100 0.124 0.000 1.141 81 T CB -0.238 68.817 68.868 0.311 0.000 0.868 81 T HN -0.021 nan 8.240 nan 0.000 0.444 82 V N 0.834 120.754 119.914 0.010 0.000 2.515 82 V HA -0.180 3.940 4.120 0.001 0.000 0.250 82 V C 2.784 178.841 176.094 -0.062 0.000 1.058 82 V CA 1.113 63.402 62.300 -0.019 0.000 1.064 82 V CB -0.802 31.002 31.823 -0.031 0.000 0.675 82 V HN 0.603 nan 8.190 nan 0.000 0.461 83 C N -0.614 118.574 119.300 -0.187 0.000 2.432 83 C HA -0.128 4.332 4.460 0.001 0.000 0.277 83 C C 2.764 177.745 174.990 -0.015 0.000 1.249 83 C CA 1.018 59.941 59.018 -0.159 0.000 1.725 83 C CB -0.810 26.791 27.740 -0.232 0.000 2.028 83 C HN 0.438 nan 8.230 nan 0.000 0.477 84 V N 1.020 120.872 119.914 -0.104 0.000 2.287 84 V HA -0.237 3.883 4.120 0.001 0.000 0.248 84 V C 2.121 178.116 176.094 -0.165 0.000 1.053 84 V CA 2.197 64.380 62.300 -0.195 0.000 1.027 84 V CB -0.518 30.998 31.823 -0.511 0.000 0.646 84 V HN 0.540 nan 8.190 nan 0.000 0.447 85 I N -1.487 119.002 120.570 -0.135 0.000 2.394 85 I HA -0.262 3.909 4.170 0.001 0.000 0.251 85 I C 2.271 178.320 176.117 -0.112 0.000 1.136 85 I CA 1.864 63.068 61.300 -0.160 0.000 1.425 85 I CB -0.336 37.618 38.000 -0.076 0.000 1.079 85 I HN 0.502 nan 8.210 nan 0.000 0.425 86 W N 1.101 122.332 121.300 -0.115 0.000 2.355 86 W HA -0.247 4.413 4.660 0.000 0.000 0.309 86 W C 2.615 179.084 176.519 -0.084 0.000 1.206 86 W CA 1.453 58.772 57.345 -0.044 0.000 1.284 86 W CB -0.381 29.039 29.460 -0.067 0.000 1.145 86 W HN 0.098 nan 8.180 nan 0.000 0.502 87 C N 0.318 119.701 119.300 0.138 0.000 2.413 87 C HA -0.199 4.261 4.460 0.001 0.000 0.277 87 C C 2.695 177.545 174.990 -0.232 0.000 1.265 87 C CA 1.283 60.277 59.018 -0.040 0.000 1.752 87 C CB -1.482 26.293 27.740 0.058 0.000 1.998 87 C HN 0.377 nan 8.230 nan 0.000 0.489 88 I N -0.342 120.083 120.570 -0.241 0.000 2.179 88 I HA -0.212 3.958 4.170 0.001 0.000 0.242 88 I C 2.548 178.484 176.117 -0.302 0.000 1.088 88 I CA 1.395 62.527 61.300 -0.279 0.000 1.357 88 I CB -0.621 37.187 38.000 -0.320 0.000 1.051 88 I HN 0.458 nan 8.210 nan 0.000 0.409 89 H N 0.468 119.374 119.070 -0.273 0.000 2.423 89 H HA 0.045 4.601 4.556 0.001 0.000 0.297 89 H C 2.152 177.238 175.328 -0.402 0.000 1.075 89 H CA 1.365 57.234 56.048 -0.299 0.000 1.342 89 H CB -0.103 29.482 29.762 -0.295 0.000 1.395 89 H HN 0.337 nan 8.280 nan 0.000 0.530 90 A N 0.398 122.912 122.820 -0.510 0.000 2.251 90 A HA 0.018 4.338 4.320 0.001 0.000 0.209 90 A C 0.606 177.969 177.584 -0.368 0.000 1.187 90 A CA 0.255 51.926 52.037 -0.609 0.000 0.823 90 A CB -0.052 18.208 19.000 -1.233 0.000 0.846 90 A HN 0.458 nan 8.150 nan 0.000 0.486 91 E N 0.128 120.167 120.200 -0.268 0.000 2.513 91 E HA -0.142 4.209 4.350 0.001 0.000 0.257 91 E C -0.959 175.552 176.600 -0.148 0.000 1.098 91 E CA 0.545 56.842 56.400 -0.172 0.000 0.752 91 E CB -1.220 28.403 29.700 -0.128 0.000 1.324 91 E HN 0.634 nan 8.360 nan 0.000 0.403 92 E N 1.230 121.331 120.200 -0.165 0.000 2.115 92 E HA 0.199 4.550 4.350 0.001 0.000 0.282 92 E C -0.075 176.488 176.600 -0.062 0.000 0.987 92 E CA -0.579 55.767 56.400 -0.091 0.000 0.797 92 E CB 1.357 31.021 29.700 -0.061 0.000 1.086 92 E HN 0.079 nan 8.360 nan 0.000 0.397 93 K N 2.497 122.870 120.400 -0.043 0.000 2.363 93 K HA 0.133 4.454 4.320 0.001 0.000 0.289 93 K C -0.394 176.181 176.600 -0.043 0.000 1.063 93 K CA -0.253 56.008 56.287 -0.043 0.000 0.967 93 K CB 0.153 32.633 32.500 -0.033 0.000 0.987 93 K HN 0.285 nan 8.250 nan 0.000 0.473 94 V N 1.215 121.094 119.914 -0.059 0.000 2.769 94 V HA 0.424 4.544 4.120 0.001 0.000 0.312 94 V C 0.674 176.703 176.094 -0.108 0.000 1.061 94 V CA -0.870 61.378 62.300 -0.086 0.000 0.931 94 V CB 1.939 33.719 31.823 -0.071 0.000 1.010 94 V HN 0.818 nan 8.190 nan 0.000 0.433 95 K N 1.120 121.397 120.400 -0.204 0.000 2.242 95 K HA 0.228 4.548 4.320 0.001 0.000 0.200 95 K C 0.547 177.083 176.600 -0.107 0.000 1.050 95 K CA 0.822 57.001 56.287 -0.181 0.000 0.981 95 K CB 0.186 32.549 32.500 -0.229 0.000 0.795 95 K HN 1.054 nan 8.250 nan 0.000 0.477 96 H N -3.841 115.261 119.070 0.053 0.000 2.918 96 H HA 0.031 4.588 4.556 0.000 0.000 0.303 96 H C 0.453 175.835 175.328 0.091 0.000 1.380 96 H CA -0.053 56.045 56.048 0.082 0.000 1.134 96 H CB 1.118 30.915 29.762 0.058 0.000 1.842 96 H HN -0.075 nan 8.280 nan 0.000 0.533 97 T N -1.172 113.606 114.554 0.373 0.000 2.867 97 T HA -0.129 4.222 4.350 0.001 0.000 0.268 97 T C 1.146 175.993 174.700 0.245 0.000 1.057 97 T CA 1.664 63.921 62.100 0.262 0.000 1.136 97 T CB -0.241 68.794 68.868 0.279 0.000 0.874 97 T HN 0.455 nan 8.240 nan 0.000 0.466 98 E N 1.166 121.583 120.200 0.361 0.000 2.110 98 E HA -0.086 4.265 4.350 0.001 0.000 0.193 98 E C 2.062 178.801 176.600 0.233 0.000 0.988 98 E CA 1.127 57.681 56.400 0.256 0.000 0.804 98 E CB -0.391 29.408 29.700 0.165 0.000 0.745 98 E HN 0.787 nan 8.360 nan 0.000 0.458 99 E N 0.188 120.529 120.200 0.235 0.000 2.152 99 E HA -0.083 4.268 4.350 0.001 0.000 0.192 99 E C 1.879 178.502 176.600 0.039 0.000 0.983 99 E CA 0.725 57.145 56.400 0.032 0.000 0.818 99 E CB 0.082 29.642 29.700 -0.232 0.000 0.758 99 E HN 0.173 nan 8.360 nan 0.000 0.467 100 A N 1.250 124.100 122.820 0.049 0.000 1.930 100 A HA -0.173 4.147 4.320 0.001 0.000 0.217 100 A C 1.969 179.579 177.584 0.044 0.000 1.175 100 A CA 1.386 53.450 52.037 0.045 0.000 0.627 100 A CB -0.224 18.785 19.000 0.014 0.000 0.815 100 A HN 0.097 nan 8.150 nan 0.000 0.443 101 K N -0.462 119.974 120.400 0.060 0.000 2.057 101 K HA -0.155 4.165 4.320 0.001 0.000 0.206 101 K C 2.280 178.912 176.600 0.052 0.000 1.050 101 K CA 1.644 57.968 56.287 0.061 0.000 0.935 101 K CB -0.186 32.388 32.500 0.122 0.000 0.715 101 K HN 0.596 nan 8.250 nan 0.000 0.439 102 Q N 0.429 120.269 119.800 0.065 0.000 2.119 102 Q HA -0.066 4.274 4.340 0.001 0.000 0.201 102 Q C 2.058 178.095 176.000 0.061 0.000 0.972 102 Q CA 1.090 56.927 55.803 0.057 0.000 0.847 102 Q CB 0.020 28.796 28.738 0.063 0.000 0.903 102 Q HN 0.336 nan 8.270 nan 0.000 0.433 103 I N -0.364 120.259 120.570 0.088 0.000 2.353 103 I HA -0.202 3.968 4.170 0.001 0.000 0.248 103 I C 2.085 178.287 176.117 0.142 0.000 1.119 103 I CA 0.598 62.004 61.300 0.177 0.000 1.417 103 I CB -0.111 38.017 38.000 0.214 0.000 1.078 103 I HN 0.050 nan 8.210 nan 0.000 0.421 104 V N 0.579 120.459 119.914 -0.056 0.000 2.343 104 V HA -0.325 3.795 4.120 0.001 0.000 0.247 104 V C 2.463 178.431 176.094 -0.211 0.000 1.051 104 V CA 1.936 64.012 62.300 -0.374 0.000 1.036 104 V CB -0.520 31.051 31.823 -0.419 0.000 0.654 104 V HN 0.472 nan 8.190 nan 0.000 0.451 105 Q N -0.433 119.324 119.800 -0.072 0.000 2.079 105 Q HA -0.216 4.125 4.340 0.001 0.000 0.200 105 Q C 2.474 178.454 176.000 -0.033 0.000 0.974 105 Q CA 1.694 57.475 55.803 -0.037 0.000 0.840 105 Q CB -0.135 28.604 28.738 0.001 0.000 0.898 105 Q HN 0.500 nan 8.270 nan 0.000 0.430 106 R N -0.932 119.560 120.500 -0.014 0.000 2.081 106 R HA -0.162 4.178 4.340 0.001 0.000 0.235 106 R C 1.881 178.091 176.300 -0.149 0.000 1.131 106 R CA 1.656 57.711 56.100 -0.075 0.000 0.960 106 R CB -0.033 30.216 30.300 -0.086 0.000 0.856 106 R HN 0.485 nan 8.270 nan 0.000 0.436 107 H N -0.911 118.139 119.070 -0.034 0.000 2.465 107 H HA 0.043 4.599 4.556 0.001 0.000 0.289 107 H C 1.731 177.028 175.328 -0.051 0.000 1.022 107 H CA 1.072 57.118 56.048 -0.003 0.000 1.340 107 H CB 0.484 30.305 29.762 0.099 0.000 1.437 107 H HN 0.228 nan 8.280 nan 0.000 0.539 108 L N 0.357 121.563 121.223 -0.029 0.000 2.672 108 L HA 0.180 4.520 4.340 0.001 0.000 0.236 108 L C 0.202 177.041 176.870 -0.051 0.000 1.092 108 L CA 0.093 54.891 54.840 -0.070 0.000 0.887 108 L CB 1.018 42.953 42.059 -0.207 0.000 1.168 108 L HN -0.139 nan 8.230 nan 0.000 0.502 109 V N 1.524 121.410 119.914 -0.047 0.000 2.350 109 V HA 0.248 4.368 4.120 0.001 0.000 0.276 109 V C 0.167 176.247 176.094 -0.024 0.000 1.028 109 V CA -0.535 61.747 62.300 -0.031 0.000 0.860 109 V CB 1.979 33.787 31.823 -0.024 0.000 0.990 109 V HN -0.148 nan 8.190 nan 0.000 0.453 110 V N 4.657 124.560 119.914 -0.018 0.000 2.432 110 V HA 0.218 4.338 4.120 0.001 0.000 0.271 110 V C 0.525 176.610 176.094 -0.015 0.000 1.046 110 V CA -0.218 62.072 62.300 -0.015 0.000 0.945 110 V CB 1.276 33.093 31.823 -0.011 0.000 0.992 110 V HN 0.967 nan 8.190 nan 0.000 0.471 111 E N 3.404 123.594 120.200 -0.016 0.000 1.986 111 E HA 0.167 4.518 4.350 0.001 0.000 0.264 111 E C 0.418 177.011 176.600 -0.013 0.000 1.023 111 E CA -0.383 56.008 56.400 -0.015 0.000 0.834 111 E CB 0.463 30.154 29.700 -0.015 0.000 1.111 111 E HN 0.819 nan 8.360 nan 0.000 0.417 112 T N 1.759 116.306 114.554 -0.012 0.000 4.099 112 T HA 0.424 4.775 4.350 0.001 0.000 0.223 112 T C 0.992 175.686 174.700 -0.010 0.000 0.968 112 T CA -0.058 62.036 62.100 -0.010 0.000 0.966 112 T CB 0.141 69.003 68.868 -0.009 0.000 1.328 112 T HN 0.623 nan 8.240 nan 0.000 0.783 113 G N 2.315 111.109 108.800 -0.010 0.000 2.650 113 G HA2 -0.303 3.657 3.960 0.001 0.000 0.264 113 G HA3 -0.303 3.657 3.960 0.001 0.000 0.264 113 G C 0.583 175.476 174.900 -0.011 0.000 1.263 113 G CA -0.105 44.989 45.100 -0.010 0.000 0.960 113 G HN 0.655 nan 8.290 nan 0.000 0.548 114 T N 1.972 116.520 114.554 -0.011 0.000 3.393 114 T HA 0.622 4.973 4.350 0.001 0.000 0.248 114 T C 0.280 174.971 174.700 -0.015 0.000 0.992 114 T CA 1.372 63.464 62.100 -0.013 0.000 0.929 114 T CB -0.190 68.671 68.868 -0.012 0.000 1.065 114 T HN 1.805 nan 8.240 nan 0.000 0.597 115 A N 1.455 124.265 122.820 -0.015 0.000 2.442 115 A HA 0.537 4.857 4.320 0.001 0.000 0.284 115 A C -0.647 176.926 177.584 -0.018 0.000 1.058 115 A CA -0.843 51.184 52.037 -0.017 0.000 0.738 115 A CB 1.196 20.187 19.000 -0.015 0.000 1.242 115 A HN 0.347 nan 8.150 nan 0.000 0.421 116 E N 1.795 121.982 120.200 -0.022 0.000 2.073 116 E HA 0.385 4.736 4.350 0.001 0.000 0.269 116 E C -0.505 176.081 176.600 -0.022 0.000 0.917 116 E CA -0.267 56.120 56.400 -0.022 0.000 0.757 116 E CB 1.750 31.436 29.700 -0.025 0.000 1.111 116 E HN 0.533 nan 8.360 nan 0.000 0.410 117 T N 2.550 117.093 114.554 -0.018 0.000 2.925 117 T HA 0.490 4.841 4.350 0.001 0.000 0.285 117 T C -0.504 174.188 174.700 -0.014 0.000 1.021 117 T CA -0.626 61.465 62.100 -0.016 0.000 1.042 117 T CB 0.850 69.710 68.868 -0.012 0.000 1.037 117 T HN 0.398 nan 8.240 nan 0.000 0.481 118 M N 5.175 124.768 119.600 -0.012 0.000 2.023 118 M HA 0.401 4.881 4.480 0.001 0.000 0.325 118 M C -2.136 174.161 176.300 -0.006 0.000 0.963 118 M CA -1.790 53.503 55.300 -0.012 0.000 0.928 118 M CB 1.184 33.778 32.600 -0.010 0.000 1.429 118 M HN 0.554 nan 8.290 nan 0.000 0.404 119 P HA 0.000 nan 4.420 nan 0.000 0.216 119 P CA 0.000 63.102 63.100 0.004 0.000 0.800 119 P CB 0.000 31.704 31.700 0.007 0.000 0.726