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 1kq9_1_A DATA FIRST_RESID 112 DATA SEQUENCE QTXXPSVPIC DLYPNGVFPK GQECEYPXXX XXXXXXXXXX XXXKKALDQA DATA SEQUENCE SEEIWNDFRE AAEAHRQVRK YVMSWIKPGM TMIEICEKLE DCSRKLIKEN DATA SEQUENCE GLNAGLAFPT GCSLNNcAAH YTPNAGDTTV LQYDDICKID FGTHISGRII DATA SEQUENCE DCAFTVTFNP KYDTLLKAVK DATNTGIKCA GIDVRLCDVG EAIQEVMESY DATA SEQUENCE EVEIDGKTYQ VKPIRNLNGH SIGQYRIHAG KTVPIIKGGE ATRMEEGEVY DATA SEQUENCE AIETFGSTGK GVVHDDMECS HYMKNFDVGH VPIRLPRTKH LLNVINENFG DATA SEQUENCE TLAFCRRWLD RLGESKYLMA LKNLCDLGIV DPYPPLcDIK GSYTAQFEHT DATA SEQUENCE ILLRPTCKEV VSRGDDY 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 112 Q HA 0.000 nan 4.340 nan 0.000 0.214 112 Q C 0.000 175.995 176.000 -0.008 0.000 1.003 112 Q CA 0.000 55.799 55.803 -0.007 0.000 1.022 112 Q CB 0.000 28.745 28.738 0.011 0.000 1.108 117 S N -1.569 114.072 115.700 -0.099 0.000 2.456 117 S HA 0.122 4.597 4.470 0.009 0.000 0.282 117 S C 0.066 174.644 174.600 -0.037 0.000 1.057 117 S CA -0.115 58.043 58.200 -0.070 0.000 1.321 117 S CB 0.555 63.718 63.200 -0.061 0.000 1.117 117 S HN 0.172 nan 8.310 nan 0.000 0.584 118 V N 4.665 124.565 119.914 -0.024 0.000 2.408 118 V HA 0.432 4.558 4.120 0.009 0.000 0.267 118 V C -2.542 173.563 176.094 0.020 0.000 1.047 118 V CA -1.753 60.546 62.300 -0.002 0.000 0.937 118 V CB 0.453 32.276 31.823 -0.000 0.000 0.999 118 V HN 0.204 nan 8.190 nan 0.000 0.472 119 P HA 0.041 nan 4.420 nan 0.000 0.265 119 P C 1.132 178.491 177.300 0.098 0.000 1.187 119 P CA -0.035 63.090 63.100 0.043 0.000 0.766 119 P CB 0.498 32.218 31.700 0.034 0.000 0.820 120 I N 2.537 123.177 120.570 0.115 0.000 2.194 120 I HA -0.257 3.919 4.170 0.009 0.000 0.246 120 I C 2.321 178.688 176.117 0.416 0.000 1.093 120 I CA 1.708 63.150 61.300 0.237 0.000 1.355 120 I CB -2.024 36.044 38.000 0.112 0.000 1.046 120 I HN 0.485 nan 8.210 nan 0.000 0.413 121 C N 0.103 119.596 119.300 0.321 0.000 2.419 121 C HA -0.089 4.376 4.460 0.009 0.000 0.283 121 C C 2.017 177.159 174.990 0.254 0.000 1.373 121 C CA 0.300 59.569 59.018 0.418 0.000 1.781 121 C CB -1.239 26.669 27.740 0.281 0.000 1.886 121 C HN 0.398 nan 8.230 nan 0.000 0.520 122 D N 0.872 121.369 120.400 0.162 0.000 2.347 122 D HA 0.117 4.762 4.640 0.009 0.000 0.213 122 D C 1.949 178.275 176.300 0.043 0.000 0.985 122 D CA 0.657 54.705 54.000 0.081 0.000 0.879 122 D CB -0.141 40.686 40.800 0.046 0.000 0.919 122 D HN 0.573 nan 8.370 nan 0.000 0.526 123 L N -0.985 120.286 121.223 0.081 0.000 2.477 123 L HA 0.051 4.396 4.340 0.009 0.000 0.220 123 L C -0.013 176.630 176.870 -0.378 0.000 1.106 123 L CA 0.405 55.178 54.840 -0.112 0.000 0.851 123 L CB 0.237 42.253 42.059 -0.072 0.000 0.994 123 L HN -0.046 nan 8.230 nan 0.000 0.462 124 Y N -1.266 119.042 120.300 0.012 0.000 2.584 124 Y HA 0.286 4.842 4.550 0.009 0.000 0.358 124 Y C -1.714 174.087 175.900 -0.164 0.000 1.028 124 Y CA -1.929 56.097 58.100 -0.124 0.000 1.148 124 Y CB 0.358 38.639 38.460 -0.297 0.000 1.126 124 Y HN -0.104 nan 8.280 nan 0.000 0.658 125 P HA -0.255 nan 4.420 nan 0.000 0.218 125 P C 1.428 178.705 177.300 -0.039 0.000 1.152 125 P CA 2.409 65.496 63.100 -0.022 0.000 0.857 125 P CB 0.263 31.944 31.700 -0.032 0.000 0.787 126 N N -1.355 117.307 118.700 -0.064 0.000 2.521 126 N HA 0.152 4.897 4.740 0.009 0.000 0.188 126 N C 1.402 176.838 175.510 -0.123 0.000 1.146 126 N CA 0.846 53.853 53.050 -0.072 0.000 0.893 126 N CB -1.128 37.324 38.487 -0.059 0.000 0.975 126 N HN 0.281 nan 8.380 nan 0.000 0.451 127 G N -1.194 107.473 108.800 -0.222 0.000 2.153 127 G HA2 -0.156 3.809 3.960 0.009 0.000 0.252 127 G HA3 -0.156 3.809 3.960 0.009 0.000 0.252 127 G C 0.013 174.593 174.900 -0.533 0.000 0.994 127 G CA 0.450 45.358 45.100 -0.320 0.000 0.698 127 G HN 0.963 nan 8.290 nan 0.000 0.521 128 V N 1.010 120.584 119.914 -0.566 0.000 2.328 128 V HA 0.658 4.783 4.120 0.009 0.000 0.278 128 V C 0.149 175.865 176.094 -0.630 0.000 1.021 128 V CA -0.711 61.349 62.300 -0.400 0.000 0.838 128 V CB 0.697 32.427 31.823 -0.155 0.000 0.999 128 V HN 0.236 nan 8.190 nan 0.000 0.447 129 F N 5.360 125.223 119.950 -0.145 0.000 2.432 129 F HA 0.575 5.107 4.527 0.008 0.000 0.329 129 F C -1.809 173.836 175.800 -0.259 0.000 1.076 129 F CA -2.773 55.008 58.000 -0.364 0.000 1.018 129 F CB 0.776 39.608 39.000 -0.279 0.000 1.201 129 F HN 0.306 nan 8.300 nan 0.000 0.489 130 P HA 0.026 nan 4.420 nan 0.000 0.264 130 P C -0.846 176.448 177.300 -0.010 0.000 1.183 130 P CA -0.115 62.947 63.100 -0.062 0.000 0.763 130 P CB 0.400 32.069 31.700 -0.051 0.000 0.807 131 K N 1.353 121.749 120.400 -0.007 0.000 2.168 131 K HA 0.449 4.775 4.320 0.009 0.000 0.258 131 K C 1.141 177.713 176.600 -0.046 0.000 1.010 131 K CA -0.487 55.789 56.287 -0.018 0.000 0.929 131 K CB 0.458 32.939 32.500 -0.032 0.000 0.998 131 K HN 0.530 nan 8.250 nan 0.000 0.479 132 G N 0.135 108.890 108.800 -0.075 0.000 2.509 132 G HA2 0.014 3.979 3.960 0.009 0.000 0.269 132 G HA3 0.014 3.979 3.960 0.009 0.000 0.269 132 G C -0.836 173.987 174.900 -0.128 0.000 1.416 132 G CA -0.380 44.655 45.100 -0.109 0.000 1.052 132 G HN 0.609 nan 8.290 nan 0.000 0.542 133 Q N 0.211 119.915 119.800 -0.160 0.000 2.286 133 Q HA 0.113 4.458 4.340 0.009 0.000 0.267 133 Q C -0.559 175.338 176.000 -0.172 0.000 1.028 133 Q CA 0.353 56.062 55.803 -0.157 0.000 0.901 133 Q CB 0.264 28.898 28.738 -0.174 0.000 1.183 133 Q HN 0.442 nan 8.270 nan 0.000 0.392 134 E N 3.178 123.284 120.200 -0.156 0.000 2.197 134 E HA 0.343 4.699 4.350 0.009 0.000 0.281 134 E C -1.120 175.368 176.600 -0.187 0.000 0.995 134 E CA -0.595 55.695 56.400 -0.184 0.000 0.808 134 E CB 1.351 30.956 29.700 -0.158 0.000 1.093 134 E HN 0.584 nan 8.360 nan 0.000 0.394 135 C N 2.406 121.560 119.300 -0.243 0.000 2.563 135 C HA 0.572 5.037 4.460 0.009 0.000 0.314 135 C C 0.566 175.371 174.990 -0.309 0.000 1.199 135 C CA -0.793 58.084 59.018 -0.235 0.000 1.564 135 C CB 0.919 28.524 27.740 -0.226 0.000 2.173 135 C HN 0.921 nan 8.230 nan 0.000 0.485 136 E N 0.704 120.778 120.200 -0.211 0.000 2.373 136 E HA 0.378 4.733 4.350 0.009 0.000 0.263 136 E C -0.906 175.578 176.600 -0.195 0.000 1.073 136 E CA -0.135 56.153 56.400 -0.186 0.000 0.894 136 E CB 0.332 nan 29.700 nan 0.000 1.008 136 E HN 0.642 nan 8.360 nan 0.000 0.420 137 Y N 1.783 122.049 120.300 -0.057 0.000 2.411 137 Y HA 0.266 4.816 4.550 0.000 0.000 0.333 137 Y C -0.651 175.221 175.900 -0.046 0.000 1.186 137 Y CA -1.120 56.947 58.100 -0.055 0.000 1.381 137 Y CB 0.355 38.785 38.460 -0.051 0.000 1.273 137 Y HN 0.592 nan 8.280 nan 0.000 0.546 156 K N 1.491 121.923 120.400 0.054 0.000 2.097 156 K HA 0.061 4.386 4.320 0.009 0.000 0.206 156 K C 2.002 178.643 176.600 0.069 0.000 1.049 156 K CA 1.510 57.832 56.287 0.058 0.000 0.933 156 K CB -0.424 32.101 32.500 0.041 0.000 0.717 156 K HN 0.348 nan 8.250 nan 0.000 0.442 157 A N 0.366 123.221 122.820 0.059 0.000 1.873 157 A HA 0.007 4.332 4.320 0.009 0.000 0.215 157 A C 2.171 179.800 177.584 0.075 0.000 1.186 157 A CA 1.647 53.719 52.037 0.058 0.000 0.616 157 A CB -0.626 18.401 19.000 0.044 0.000 0.823 157 A HN 0.427 nan 8.150 nan 0.000 0.442 158 L N 0.190 121.462 121.223 0.081 0.000 2.042 158 L HA -0.188 4.157 4.340 0.009 0.000 0.210 158 L C 2.029 178.996 176.870 0.162 0.000 1.076 158 L CA 2.533 57.434 54.840 0.101 0.000 0.749 158 L CB -0.546 41.569 42.059 0.094 0.000 0.893 158 L HN 0.463 nan 8.230 nan 0.000 0.432 159 D N -1.132 119.379 120.400 0.185 0.000 2.097 159 D HA -0.249 4.396 4.640 0.009 0.000 0.195 159 D C 2.082 178.585 176.300 0.338 0.000 0.989 159 D CA 1.203 55.381 54.000 0.296 0.000 0.827 159 D CB 0.139 41.047 40.800 0.181 0.000 0.966 159 D HN 0.407 nan 8.370 nan 0.000 0.456 160 Q N 0.341 120.257 119.800 0.193 0.000 2.224 160 Q HA 0.028 4.373 4.340 0.009 0.000 0.203 160 Q C 1.695 177.752 176.000 0.094 0.000 0.970 160 Q CA 1.543 57.434 55.803 0.147 0.000 0.865 160 Q CB -0.470 28.324 28.738 0.094 0.000 0.922 160 Q HN 0.232 nan 8.270 nan 0.000 0.445 161 A N -1.053 121.813 122.820 0.077 0.000 2.121 161 A HA 0.003 4.328 4.320 0.009 0.000 0.218 161 A C 1.758 179.315 177.584 -0.046 0.000 1.154 161 A CA 1.319 53.369 52.037 0.022 0.000 0.679 161 A CB -0.044 18.973 19.000 0.028 0.000 0.795 161 A HN 0.250 nan 8.150 nan 0.000 0.458 162 S N -0.903 114.745 115.700 -0.086 0.000 2.602 162 S HA 0.156 4.631 4.470 0.009 0.000 0.240 162 S C 1.166 175.383 174.600 -0.639 0.000 0.992 162 S CA 0.023 57.980 58.200 -0.405 0.000 0.971 162 S CB 0.280 63.108 63.200 -0.621 0.000 0.855 162 S HN 0.579 nan 8.310 nan 0.000 0.481 163 E N 2.687 122.768 120.200 -0.198 0.000 2.130 163 E HA -0.190 4.165 4.350 0.009 0.000 0.196 163 E C 1.591 178.147 176.600 -0.074 0.000 0.998 163 E CA 1.532 57.919 56.400 -0.021 0.000 0.806 163 E CB -0.052 29.701 29.700 0.088 0.000 0.738 163 E HN 0.585 nan 8.360 nan 0.000 0.459 164 E N -0.408 119.722 120.200 -0.117 0.000 2.153 164 E HA -0.157 4.198 4.350 0.009 0.000 0.194 164 E C 2.141 178.676 176.600 -0.109 0.000 0.988 164 E CA 1.139 57.497 56.400 -0.071 0.000 0.811 164 E CB -0.131 29.531 29.700 -0.063 0.000 0.746 164 E HN 0.390 nan 8.360 nan 0.000 0.466 165 I N -0.145 120.263 120.570 -0.271 0.000 2.163 165 I HA -0.233 3.942 4.170 0.009 0.000 0.240 165 I C 2.037 178.167 176.117 0.022 0.000 1.081 165 I CA 1.243 62.383 61.300 -0.268 0.000 1.353 165 I CB -0.399 37.294 38.000 -0.511 0.000 1.054 165 I HN 0.229 nan 8.210 nan 0.000 0.407 166 W N 0.823 122.243 121.300 0.201 0.000 2.374 166 W HA -0.208 4.457 4.660 0.007 0.000 0.288 166 W C 2.396 179.029 176.519 0.190 0.000 1.218 166 W CA 0.506 57.986 57.345 0.226 0.000 1.245 166 W CB -0.753 28.773 29.460 0.110 0.000 1.126 166 W HN 0.172 nan 8.180 nan 0.000 0.545 167 N N 0.806 119.690 118.700 0.306 0.000 2.166 167 N HA -0.182 4.564 4.740 0.009 0.000 0.186 167 N C 1.189 176.809 175.510 0.184 0.000 1.019 167 N CA 1.923 55.126 53.050 0.256 0.000 0.856 167 N CB -0.405 38.205 38.487 0.206 0.000 0.993 167 N HN -0.060 nan 8.380 nan 0.000 0.426 168 D N -0.733 119.710 120.400 0.072 0.000 2.144 168 D HA -0.087 4.558 4.640 0.009 0.000 0.200 168 D C 1.619 177.848 176.300 -0.119 0.000 0.978 168 D CA 0.735 54.678 54.000 -0.094 0.000 0.833 168 D CB -0.373 40.313 40.800 -0.189 0.000 0.961 168 D HN 0.320 nan 8.370 nan 0.000 0.470 169 F N 1.218 121.178 119.950 0.017 0.000 2.134 169 F HA -0.105 4.428 4.527 0.009 0.000 0.299 169 F C 2.542 178.325 175.800 -0.028 0.000 1.097 169 F CA 1.049 59.060 58.000 0.019 0.000 1.264 169 F CB 0.007 39.068 39.000 0.102 0.000 1.001 169 F HN -0.155 nan 8.300 nan 0.000 0.479 170 R N -0.055 120.555 120.500 0.183 0.000 2.096 170 R HA -0.192 4.153 4.340 0.009 0.000 0.235 170 R C 2.091 178.320 176.300 -0.118 0.000 1.127 170 R CA 1.566 57.706 56.100 0.066 0.000 0.968 170 R CB -0.536 29.841 30.300 0.127 0.000 0.861 170 R HN 0.374 nan 8.270 nan 0.000 0.440 171 E N 0.866 120.839 120.200 -0.377 0.000 2.077 171 E HA -0.179 4.177 4.350 0.009 0.000 0.193 171 E C 1.899 178.262 176.600 -0.396 0.000 0.989 171 E CA 1.166 57.039 56.400 -0.879 0.000 0.800 171 E CB -0.010 28.851 29.700 -1.399 0.000 0.746 171 E HN 0.376 nan 8.360 nan 0.000 0.452 172 A N 0.956 123.640 122.820 -0.226 0.000 1.969 172 A HA 0.005 4.330 4.320 0.009 0.000 0.218 172 A C 2.322 179.907 177.584 0.001 0.000 1.169 172 A CA 1.469 53.449 52.037 -0.095 0.000 0.635 172 A CB -0.523 18.442 19.000 -0.058 0.000 0.810 172 A HN 0.402 nan 8.150 nan 0.000 0.445 173 A N -0.252 122.572 122.820 0.008 0.000 1.930 173 A HA -0.080 4.245 4.320 0.009 0.000 0.217 173 A C 1.949 179.568 177.584 0.058 0.000 1.175 173 A CA 1.953 54.012 52.037 0.036 0.000 0.627 173 A CB -0.392 18.615 19.000 0.012 0.000 0.815 173 A HN 0.499 nan 8.150 nan 0.000 0.443 174 E N 0.443 120.647 120.200 0.008 0.000 2.106 174 E HA -0.049 4.306 4.350 0.009 0.000 0.192 174 E C 1.966 178.615 176.600 0.083 0.000 0.984 174 E CA 1.494 57.917 56.400 0.039 0.000 0.806 174 E CB -0.439 29.267 29.700 0.009 0.000 0.750 174 E HN 0.458 nan 8.360 nan 0.000 0.458 175 A N 0.423 123.277 122.820 0.056 0.000 1.902 175 A HA -0.228 4.097 4.320 0.009 0.000 0.217 175 A C 2.293 179.989 177.584 0.186 0.000 1.181 175 A CA 1.739 53.833 52.037 0.094 0.000 0.623 175 A CB -1.001 18.028 19.000 0.049 0.000 0.818 175 A HN 0.497 nan 8.150 nan 0.000 0.443 176 H N -0.001 119.137 119.070 0.114 0.000 2.319 176 H HA -0.080 4.481 4.556 0.009 0.000 0.299 176 H C 2.324 177.777 175.328 0.208 0.000 1.092 176 H CA 1.979 58.128 56.048 0.169 0.000 1.302 176 H CB -0.089 29.652 29.762 -0.035 0.000 1.373 176 H HN 0.456 nan 8.280 nan 0.000 0.497 177 R N 0.134 120.790 120.500 0.260 0.000 2.091 177 R HA -0.142 4.203 4.340 0.009 0.000 0.238 177 R C 2.660 179.047 176.300 0.145 0.000 1.136 177 R CA 1.750 57.951 56.100 0.168 0.000 0.959 177 R CB -0.087 30.268 30.300 0.091 0.000 0.856 177 R HN 0.557 nan 8.270 nan 0.000 0.437 178 Q N -0.198 119.689 119.800 0.144 0.000 2.123 178 Q HA -0.082 4.263 4.340 0.009 0.000 0.199 178 Q C 2.230 178.327 176.000 0.161 0.000 0.966 178 Q CA 1.160 57.041 55.803 0.130 0.000 0.845 178 Q CB 0.094 28.897 28.738 0.108 0.000 0.907 178 Q HN 0.170 nan 8.270 nan 0.000 0.439 179 V N 2.169 122.192 119.914 0.183 0.000 2.261 179 V HA -0.299 3.827 4.120 0.009 0.000 0.246 179 V C 2.522 178.720 176.094 0.175 0.000 1.047 179 V CA 2.289 64.703 62.300 0.191 0.000 1.015 179 V CB -0.749 31.147 31.823 0.121 0.000 0.642 179 V HN 0.451 nan 8.190 nan 0.000 0.446 180 R N 1.085 121.714 120.500 0.215 0.000 2.096 180 R HA -0.230 4.115 4.340 0.009 0.000 0.235 180 R C 2.224 178.520 176.300 -0.007 0.000 1.127 180 R CA 2.154 58.348 56.100 0.155 0.000 0.968 180 R CB -0.544 29.906 30.300 0.250 0.000 0.861 180 R HN 0.458 nan 8.270 nan 0.000 0.440 181 K N 0.228 120.655 120.400 0.045 0.000 2.063 181 K HA -0.245 4.080 4.320 0.009 0.000 0.208 181 K C 2.107 178.738 176.600 0.052 0.000 1.048 181 K CA 1.659 57.962 56.287 0.027 0.000 0.928 181 K CB -0.418 32.122 32.500 0.068 0.000 0.713 181 K HN 0.281 nan 8.250 nan 0.000 0.442 182 Y N 0.899 121.191 120.300 -0.012 0.000 2.145 182 Y HA -0.202 4.353 4.550 0.008 0.000 0.286 182 Y C 1.780 177.538 175.900 -0.236 0.000 1.145 182 Y CA 1.474 59.592 58.100 0.031 0.000 1.148 182 Y CB -0.553 38.003 38.460 0.160 0.000 0.981 182 Y HN -0.126 nan 8.280 nan 0.000 0.507 183 V N 0.982 120.590 119.914 -0.510 0.000 2.287 183 V HA -0.407 3.718 4.120 0.009 0.000 0.248 183 V C 2.486 177.987 176.094 -0.989 0.000 1.053 183 V CA 2.535 64.124 62.300 -1.185 0.000 1.027 183 V CB -0.778 30.721 31.823 -0.540 0.000 0.646 183 V HN 0.485 nan 8.190 nan 0.000 0.447 184 M N 0.760 120.104 119.600 -0.425 0.000 2.267 184 M HA -0.154 4.331 4.480 0.009 0.000 0.263 184 M C 2.293 178.463 176.300 -0.217 0.000 1.063 184 M CA 2.007 57.160 55.300 -0.244 0.000 1.090 184 M CB -0.576 31.930 32.600 -0.156 0.000 1.392 184 M HN 0.606 nan 8.290 nan 0.000 0.422 185 S N 0.057 115.603 115.700 -0.256 0.000 2.436 185 S HA -0.087 4.388 4.470 0.009 0.000 0.228 185 S C 1.499 176.097 174.600 -0.004 0.000 1.014 185 S CA 0.492 58.648 58.200 -0.073 0.000 0.950 185 S CB -0.510 62.721 63.200 0.052 0.000 0.784 185 S HN 0.819 nan 8.310 nan 0.000 0.504 186 W N 0.149 121.418 121.300 -0.052 0.000 2.741 186 W HA 0.509 5.175 4.660 0.009 0.000 0.317 186 W C 0.297 176.817 176.519 0.001 0.000 1.029 186 W CA -0.949 56.368 57.345 -0.045 0.000 1.511 186 W CB -0.275 29.109 29.460 -0.126 0.000 1.025 186 W HN 0.099 nan 8.180 nan 0.000 0.554 187 I N 4.268 124.766 120.570 -0.121 0.000 2.662 187 I HA 0.022 4.198 4.170 0.009 0.000 0.285 187 I C -0.278 176.008 176.117 0.281 0.000 1.161 187 I CA 1.078 62.447 61.300 0.114 0.000 1.415 187 I CB 0.397 38.331 38.000 -0.110 0.000 1.385 187 I HN -0.216 nan 8.210 nan 0.000 0.552 188 K N 7.766 128.292 120.400 0.211 0.000 2.508 188 K HA 0.520 4.846 4.320 0.009 0.000 0.260 188 K C -2.651 173.824 176.600 -0.209 0.000 0.949 188 K CA -1.807 54.416 56.287 -0.106 0.000 0.834 188 K CB 1.653 34.130 32.500 -0.038 0.000 1.365 188 K HN 0.214 nan 8.250 nan 0.000 0.437 189 P HA 0.086 nan 4.420 nan 0.000 0.267 189 P C 0.705 177.946 177.300 -0.099 0.000 1.200 189 P CA 0.706 63.652 63.100 -0.256 0.000 0.772 189 P CB 0.499 32.028 31.700 -0.286 0.000 0.855 190 G N 0.822 109.611 108.800 -0.018 0.000 2.284 190 G HA2 -0.214 3.751 3.960 0.009 0.000 0.216 190 G HA3 -0.214 3.751 3.960 0.009 0.000 0.216 190 G C 0.164 175.080 174.900 0.027 0.000 1.009 190 G CA -0.207 44.895 45.100 0.002 0.000 0.625 190 G HN 0.470 nan 8.290 nan 0.000 0.501 191 M N 2.579 122.207 119.600 0.047 0.000 2.242 191 M HA 0.443 4.928 4.480 0.009 0.000 0.344 191 M C 1.306 177.655 176.300 0.082 0.000 1.140 191 M CA 0.454 55.797 55.300 0.072 0.000 1.160 191 M CB 0.877 33.551 32.600 0.124 0.000 1.491 191 M HN 0.449 nan 8.290 nan 0.000 0.459 192 T N -0.688 113.910 114.554 0.074 0.000 2.882 192 T HA 0.234 4.589 4.350 0.009 0.000 0.287 192 T C 1.182 175.949 174.700 0.111 0.000 1.014 192 T CA -0.947 61.204 62.100 0.085 0.000 1.049 192 T CB 0.849 69.758 68.868 0.070 0.000 1.001 192 T HN 0.563 nan 8.240 nan 0.000 0.525 193 M N 0.888 120.566 119.600 0.131 0.000 2.213 193 M HA 0.055 4.541 4.480 0.009 0.000 0.263 193 M C 2.162 178.530 176.300 0.114 0.000 1.062 193 M CA 1.177 56.569 55.300 0.153 0.000 1.105 193 M CB -1.476 31.263 32.600 0.232 0.000 1.385 193 M HN 0.682 nan 8.290 nan 0.000 0.417 194 I N -0.035 120.592 120.570 0.094 0.000 2.202 194 I HA -0.276 3.899 4.170 0.009 0.000 0.242 194 I C 2.223 178.382 176.117 0.070 0.000 1.091 194 I CA 1.255 62.598 61.300 0.072 0.000 1.368 194 I CB -0.381 37.658 38.000 0.066 0.000 1.058 194 I HN 0.347 nan 8.210 nan 0.000 0.410 195 E N 0.968 121.205 120.200 0.062 0.000 2.085 195 E HA -0.222 4.133 4.350 0.009 0.000 0.194 195 E C 2.235 178.861 176.600 0.043 0.000 0.994 195 E CA 1.363 57.781 56.400 0.029 0.000 0.801 195 E CB -0.078 29.630 29.700 0.012 0.000 0.743 195 E HN 0.461 nan 8.360 nan 0.000 0.453 196 I N 0.414 121.065 120.570 0.134 0.000 2.142 196 I HA -0.337 3.838 4.170 0.009 0.000 0.240 196 I C 2.388 178.649 176.117 0.239 0.000 1.078 196 I CA 0.834 62.301 61.300 0.277 0.000 1.343 196 I CB -0.265 37.902 38.000 0.278 0.000 1.046 196 I HN 0.265 nan 8.210 nan 0.000 0.405 197 C N 0.553 119.942 119.300 0.147 0.000 2.425 197 C HA -0.122 4.343 4.460 0.009 0.000 0.277 197 C C 2.650 177.720 174.990 0.133 0.000 1.280 197 C CA 0.713 59.805 59.018 0.123 0.000 1.744 197 C CB -1.107 26.680 27.740 0.078 0.000 1.989 197 C HN 0.492 nan 8.230 nan 0.000 0.491 198 E N 0.685 120.949 120.200 0.107 0.000 2.106 198 E HA -0.216 4.140 4.350 0.009 0.000 0.192 198 E C 2.162 178.803 176.600 0.068 0.000 0.984 198 E CA 0.902 57.358 56.400 0.093 0.000 0.806 198 E CB -0.177 29.561 29.700 0.063 0.000 0.750 198 E HN 0.594 nan 8.360 nan 0.000 0.458 199 K N 1.065 121.481 120.400 0.026 0.000 2.057 199 K HA -0.111 4.214 4.320 0.009 0.000 0.206 199 K C 2.237 178.949 176.600 0.187 0.000 1.050 199 K CA 0.594 56.863 56.287 -0.030 0.000 0.935 199 K CB -0.024 32.211 32.500 -0.442 0.000 0.715 199 K HN 0.077 nan 8.250 nan 0.000 0.439 200 L N 1.062 122.443 121.223 0.265 0.000 2.027 200 L HA -0.183 4.163 4.340 0.009 0.000 0.206 200 L C 1.921 178.838 176.870 0.077 0.000 1.074 200 L CA 1.633 56.590 54.840 0.195 0.000 0.745 200 L CB -0.151 41.922 42.059 0.023 0.000 0.898 200 L HN 0.223 nan 8.230 nan 0.000 0.433 201 E N -0.269 119.985 120.200 0.090 0.000 2.110 201 E HA -0.255 4.101 4.350 0.009 0.000 0.193 201 E C 1.855 178.487 176.600 0.054 0.000 0.988 201 E CA 1.411 57.865 56.400 0.090 0.000 0.804 201 E CB -0.103 29.706 29.700 0.183 0.000 0.745 201 E HN 0.548 nan 8.360 nan 0.000 0.458 202 D N 0.095 120.534 120.400 0.064 0.000 2.123 202 D HA -0.181 4.464 4.640 0.009 0.000 0.196 202 D C 2.062 178.384 176.300 0.036 0.000 0.992 202 D CA 0.902 54.924 54.000 0.037 0.000 0.833 202 D CB -0.148 40.675 40.800 0.038 0.000 0.954 202 D HN 0.231 nan 8.370 nan 0.000 0.455 203 C N 0.105 119.458 119.300 0.089 0.000 2.446 203 C HA -0.080 4.385 4.460 0.009 0.000 0.277 203 C C 3.109 178.121 174.990 0.036 0.000 1.275 203 C CA 1.396 60.452 59.018 0.063 0.000 1.727 203 C CB -0.955 26.901 27.740 0.193 0.000 2.010 203 C HN 0.240 nan 8.230 nan 0.000 0.486 204 S N -0.245 115.481 115.700 0.043 0.000 2.368 204 S HA -0.149 4.326 4.470 0.009 0.000 0.225 204 S C 2.119 176.726 174.600 0.012 0.000 1.030 204 S CA 1.400 59.628 58.200 0.046 0.000 0.999 204 S CB -0.395 62.842 63.200 0.061 0.000 0.844 204 S HN 0.715 nan 8.310 nan 0.000 0.459 205 R N 0.602 121.094 120.500 -0.013 0.000 2.081 205 R HA -0.036 4.309 4.340 0.009 0.000 0.235 205 R C 2.520 178.797 176.300 -0.039 0.000 1.131 205 R CA 1.574 57.646 56.100 -0.047 0.000 0.960 205 R CB -0.239 30.021 30.300 -0.066 0.000 0.856 205 R HN 0.407 nan 8.270 nan 0.000 0.436 206 K N 0.505 120.889 120.400 -0.027 0.000 2.057 206 K HA -0.082 4.243 4.320 0.009 0.000 0.207 206 K C 2.105 178.693 176.600 -0.020 0.000 1.049 206 K CA 1.146 57.416 56.287 -0.028 0.000 0.931 206 K CB -0.077 32.403 32.500 -0.034 0.000 0.714 206 K HN 0.160 nan 8.250 nan 0.000 0.440 207 L N 0.191 121.408 121.223 -0.010 0.000 2.179 207 L HA -0.073 4.272 4.340 0.009 0.000 0.208 207 L C 2.203 179.069 176.870 -0.007 0.000 1.096 207 L CA 0.399 55.242 54.840 0.005 0.000 0.779 207 L CB -0.183 41.892 42.059 0.027 0.000 0.922 207 L HN 0.120 nan 8.230 nan 0.000 0.443 208 I N 0.226 120.781 120.570 -0.026 0.000 3.428 208 I HA -0.078 4.097 4.170 0.009 0.000 0.286 208 I C 1.118 177.186 176.117 -0.080 0.000 1.287 208 I CA 0.406 61.665 61.300 -0.069 0.000 1.396 208 I CB -0.359 37.589 38.000 -0.086 0.000 1.062 208 I HN 0.140 nan 8.210 nan 0.000 0.471 209 K N 2.210 122.578 120.400 -0.053 0.000 3.393 209 K HA -0.254 4.071 4.320 0.009 0.000 0.272 209 K C 0.151 176.710 176.600 -0.068 0.000 1.004 209 K CA 0.451 56.710 56.287 -0.047 0.000 0.764 209 K CB -1.200 31.284 32.500 -0.028 0.000 1.373 209 K HN 0.551 nan 8.250 nan 0.000 0.458 210 E N 0.955 121.108 120.200 -0.078 0.000 2.708 210 E HA -0.159 4.196 4.350 0.009 0.000 0.260 210 E C -0.285 176.270 176.600 -0.074 0.000 0.937 210 E CA 0.573 56.917 56.400 -0.092 0.000 0.953 210 E CB 0.279 29.923 29.700 -0.095 0.000 0.915 210 E HN 0.370 nan 8.360 nan 0.000 0.487 211 N N 3.693 122.350 118.700 -0.071 0.000 2.722 211 N HA 0.207 4.952 4.740 0.009 0.000 0.242 211 N C -0.103 175.389 175.510 -0.030 0.000 1.398 211 N CA 0.635 53.656 53.050 -0.048 0.000 0.755 211 N CB 0.635 39.098 38.487 -0.039 0.000 1.268 211 N HN 0.728 nan 8.380 nan 0.000 0.522 212 G N 1.635 110.409 108.800 -0.044 0.000 2.634 212 G HA2 -0.330 3.635 3.960 0.009 0.000 0.309 212 G HA3 -0.330 3.635 3.960 0.009 0.000 0.309 212 G C 0.635 175.554 174.900 0.031 0.000 1.265 212 G CA 0.597 45.672 45.100 -0.041 0.000 0.998 212 G HN 0.468 nan 8.290 nan 0.000 0.551 213 L N 1.084 122.340 121.223 0.054 0.000 2.591 213 L HA 0.206 4.552 4.340 0.009 0.000 0.228 213 L C 2.238 179.313 176.870 0.342 0.000 1.133 213 L CA 0.629 55.579 54.840 0.182 0.000 0.880 213 L CB -0.274 41.788 42.059 0.005 0.000 1.033 213 L HN 0.496 nan 8.230 nan 0.000 0.450 214 N N 0.033 118.841 118.700 0.181 0.000 2.415 214 N HA 0.173 4.918 4.740 0.009 0.000 0.176 214 N C 0.313 175.838 175.510 0.024 0.000 1.042 214 N CA 0.349 53.485 53.050 0.142 0.000 0.902 214 N CB 0.473 38.992 38.487 0.053 0.000 0.986 214 N HN 0.239 nan 8.380 nan 0.000 0.447 215 A N -0.343 122.418 122.820 -0.099 0.000 2.540 215 A HA 0.748 5.074 4.320 0.009 0.000 0.297 215 A C -0.343 176.994 177.584 -0.412 0.000 1.056 215 A CA -0.212 51.596 52.037 -0.382 0.000 0.700 215 A CB 1.081 19.954 19.000 -0.211 0.000 1.280 215 A HN 0.196 nan 8.150 nan 0.000 0.398 216 G N -0.040 108.360 108.800 -0.665 0.000 2.356 216 G HA2 0.485 4.450 3.960 0.009 0.000 0.281 216 G HA3 0.485 4.450 3.960 0.009 0.000 0.281 216 G C -1.561 173.306 174.900 -0.055 0.000 1.246 216 G CA -0.698 44.271 45.100 -0.218 0.000 0.889 216 G HN 1.012 nan 8.290 nan 0.000 0.486 217 L N 1.354 122.613 121.223 0.061 0.000 2.290 217 L HA 0.525 4.870 4.340 0.009 0.000 0.284 217 L C 1.652 178.705 176.870 0.306 0.000 1.078 217 L CA -0.163 54.754 54.840 0.129 0.000 0.815 217 L CB 1.461 43.520 42.059 0.001 0.000 1.162 217 L HN 0.788 nan 8.230 nan 0.000 0.435 218 A N 4.790 127.740 122.820 0.217 0.000 2.016 218 A HA 0.162 4.487 4.320 0.009 0.000 0.217 218 A C 0.464 178.244 177.584 0.327 0.000 1.162 218 A CA 0.923 53.094 52.037 0.223 0.000 0.662 218 A CB -0.068 19.005 19.000 0.121 0.000 0.812 218 A HN 0.728 nan 8.150 nan 0.000 0.450 219 F N -5.321 114.846 119.950 0.362 0.000 2.770 219 F HA 0.637 5.168 4.527 0.008 0.000 0.313 219 F C -3.498 172.415 175.800 0.189 0.000 1.154 219 F CA -2.754 55.372 58.000 0.211 0.000 0.923 219 F CB 0.305 39.343 39.000 0.063 0.000 1.301 219 F HN -0.300 nan 8.300 nan 0.000 0.449 220 P HA 0.157 nan 4.420 nan 0.000 0.270 220 P C -0.560 176.779 177.300 0.065 0.000 1.223 220 P CA -0.091 62.712 63.100 -0.495 0.000 0.785 220 P CB 0.596 31.614 31.700 -1.137 0.000 0.923 221 T N 1.820 116.413 114.554 0.064 0.000 2.750 221 T HA 0.309 4.664 4.350 0.009 0.000 0.286 221 T C 0.894 175.688 174.700 0.156 0.000 0.911 221 T CA -0.158 62.055 62.100 0.189 0.000 1.130 221 T CB -0.425 68.523 68.868 0.134 0.000 0.873 221 T HN 0.489 nan 8.240 nan 0.000 0.536 222 G N 1.177 110.143 108.800 0.278 0.000 2.406 222 G HA2 0.377 4.342 3.960 0.009 0.000 0.251 222 G HA3 0.377 4.342 3.960 0.009 0.000 0.251 222 G C 0.669 175.643 174.900 0.124 0.000 1.271 222 G CA -0.735 44.497 45.100 0.220 0.000 0.859 222 G HN 1.002 nan 8.290 nan 0.000 0.540 223 C N 0.276 119.651 119.300 0.125 0.000 3.359 223 C HA 0.499 4.965 4.460 0.009 0.000 0.279 223 C C 0.556 175.680 174.990 0.224 0.000 2.476 223 C CA -1.171 57.917 59.018 0.117 0.000 1.566 223 C CB -1.192 26.615 27.740 0.112 0.000 3.185 223 C HN 0.544 nan 8.230 nan 0.000 0.435 224 S N 1.805 117.617 115.700 0.188 0.000 2.563 224 S HA 0.371 4.846 4.470 0.009 0.000 0.294 224 S C -0.095 174.492 174.600 -0.023 0.000 1.279 224 S CA 0.421 58.694 58.200 0.122 0.000 1.069 224 S CB 0.356 63.579 63.200 0.037 0.000 0.828 224 S HN 0.644 nan 8.310 nan 0.000 0.497 225 L N 3.681 124.836 121.223 -0.113 0.000 2.325 225 L HA 0.430 4.775 4.340 0.009 0.000 0.278 225 L C 0.888 177.684 176.870 -0.123 0.000 1.023 225 L CA -0.838 53.929 54.840 -0.121 0.000 0.811 225 L CB 0.869 42.847 42.059 -0.136 0.000 1.249 225 L HN 0.667 nan 8.230 nan 0.000 0.431 226 N N 2.197 120.841 118.700 -0.095 0.000 1.518 226 N HA -0.343 4.402 4.740 0.009 0.000 0.146 226 N C 0.964 176.420 175.510 -0.090 0.000 0.621 226 N CA 2.143 55.168 53.050 -0.042 0.000 1.108 226 N CB -0.933 37.550 38.487 -0.008 0.000 1.310 226 N HN 0.937 nan 8.380 nan 0.000 0.457 227 N N 1.634 120.252 118.700 -0.137 0.000 2.459 227 N HA -0.031 4.714 4.740 0.009 0.000 0.181 227 N C 0.179 175.584 175.510 -0.175 0.000 1.046 227 N CA 0.752 53.702 53.050 -0.166 0.000 0.904 227 N CB -0.535 37.849 38.487 -0.172 0.000 0.964 227 N HN 0.449 nan 8.380 nan 0.000 0.444 228 c N 1.081 119.577 118.600 -0.173 0.000 2.499 228 c HA 0.597 5.173 4.570 0.009 0.000 0.386 228 c C 1.710 175.704 174.090 -0.159 0.000 1.293 228 c CA -0.483 55.730 56.329 -0.193 0.000 1.884 228 c CB 0.216 42.609 42.510 -0.196 0.000 2.509 228 c HN 0.531 nan 8.230 nan 0.000 0.566 229 A N 2.669 125.367 122.820 -0.203 0.000 2.014 229 A HA 0.674 4.999 4.320 0.009 0.000 0.210 229 A C 0.865 178.377 177.584 -0.119 0.000 1.188 229 A CA 0.933 52.876 52.037 -0.157 0.000 0.731 229 A CB 0.062 18.857 19.000 -0.340 0.000 0.858 229 A HN 1.146 nan 8.150 nan 0.000 0.464 230 A N -2.744 119.926 122.820 -0.250 0.000 2.610 230 A HA 0.594 4.919 4.320 0.009 0.000 0.291 230 A C 0.021 177.460 177.584 -0.242 0.000 1.086 230 A CA 0.093 51.974 52.037 -0.259 0.000 0.677 230 A CB -0.106 18.534 19.000 -0.600 0.000 1.278 230 A HN 0.722 nan 8.150 nan 0.000 0.414 231 H N -2.189 116.718 119.070 -0.273 0.000 2.936 231 H HA -0.226 4.335 4.556 0.008 0.000 0.276 231 H C -0.644 174.371 175.328 -0.522 0.000 1.216 231 H CA 1.293 56.952 56.048 -0.649 0.000 1.132 231 H CB -1.535 27.903 29.762 -0.540 0.000 1.303 231 H HN 0.755 nan 8.280 nan 0.000 0.370 232 Y N 0.956 121.161 120.300 -0.157 0.000 2.331 232 Y HA 0.513 5.068 4.550 0.009 0.000 0.338 232 Y C -0.283 175.683 175.900 0.110 0.000 0.992 232 Y CA -0.240 57.840 58.100 -0.034 0.000 1.121 232 Y CB 1.966 40.402 38.460 -0.040 0.000 1.184 232 Y HN 0.134 nan 8.280 nan 0.000 0.469 233 T N 8.712 122.869 114.554 -0.662 0.000 2.993 233 T HA 0.417 4.773 4.350 0.009 0.000 0.312 233 T C -3.083 171.123 174.700 -0.824 0.000 1.115 233 T CA -1.974 59.725 62.100 -0.668 0.000 1.027 233 T CB 1.448 70.165 68.868 -0.251 0.000 1.116 233 T HN 0.513 nan 8.240 nan 0.000 0.464 234 P HA 0.218 nan 4.420 nan 0.000 0.268 234 P C -0.624 176.615 177.300 -0.101 0.000 1.205 234 P CA -0.308 62.644 63.100 -0.247 0.000 0.771 234 P CB 0.582 32.257 31.700 -0.041 0.000 0.858 235 N N 0.123 118.826 118.700 0.004 0.000 2.476 235 N HA 0.373 5.118 4.740 0.009 0.000 0.276 235 N C -0.030 175.522 175.510 0.070 0.000 1.204 235 N CA -0.542 52.539 53.050 0.051 0.000 0.974 235 N CB 0.574 39.116 38.487 0.091 0.000 1.204 235 N HN 0.420 nan 8.380 nan 0.000 0.543 236 A N -0.510 122.364 122.820 0.090 0.000 2.561 236 A HA 0.395 4.720 4.320 0.009 0.000 0.234 236 A C 1.335 178.963 177.584 0.073 0.000 1.055 236 A CA 0.894 52.982 52.037 0.085 0.000 0.756 236 A CB -0.824 18.234 19.000 0.098 0.000 0.986 236 A HN 0.962 nan 8.150 nan 0.000 0.505 237 G N 1.103 109.943 108.800 0.066 0.000 2.225 237 G HA2 -0.235 3.730 3.960 0.009 0.000 0.254 237 G HA3 -0.235 3.730 3.960 0.009 0.000 0.254 237 G C 0.205 175.144 174.900 0.065 0.000 0.988 237 G CA 0.499 45.634 45.100 0.059 0.000 0.625 237 G HN 1.101 nan 8.290 nan 0.000 0.527 238 D N 1.608 122.056 120.400 0.080 0.000 2.382 238 D HA 0.358 5.003 4.640 0.009 0.000 0.259 238 D C 1.843 178.197 176.300 0.090 0.000 1.224 238 D CA 0.925 54.984 54.000 0.099 0.000 0.894 238 D CB 0.770 41.652 40.800 0.138 0.000 1.127 238 D HN 0.399 nan 8.370 nan 0.000 0.487 239 T N -0.186 114.414 114.554 0.077 0.000 3.122 239 T HA 0.054 4.409 4.350 0.009 0.000 0.250 239 T C 0.773 175.515 174.700 0.070 0.000 1.067 239 T CA -0.429 61.710 62.100 0.065 0.000 0.966 239 T CB -0.303 68.594 68.868 0.049 0.000 1.002 239 T HN 0.236 nan 8.240 nan 0.000 0.542 240 T N 2.818 117.424 114.554 0.088 0.000 2.905 240 T HA 0.274 4.629 4.350 0.009 0.000 0.299 240 T C -0.025 174.727 174.700 0.086 0.000 1.024 240 T CA -0.068 62.081 62.100 0.082 0.000 1.151 240 T CB 0.586 69.514 68.868 0.100 0.000 0.987 240 T HN 0.160 nan 8.240 nan 0.000 0.535 241 V N 4.798 124.754 119.914 0.069 0.000 2.459 241 V HA 0.332 4.458 4.120 0.009 0.000 0.295 241 V C 0.115 176.256 176.094 0.077 0.000 1.029 241 V CA -1.029 61.313 62.300 0.070 0.000 0.874 241 V CB 1.755 33.610 31.823 0.054 0.000 0.985 241 V HN 0.713 nan 8.190 nan 0.000 0.438 242 L N 5.662 126.941 121.223 0.093 0.000 2.455 242 L HA 0.275 4.621 4.340 0.009 0.000 0.272 242 L C 0.158 177.087 176.870 0.098 0.000 1.174 242 L CA 0.861 55.769 54.840 0.115 0.000 0.869 242 L CB 0.412 42.564 42.059 0.156 0.000 1.130 242 L HN 0.622 nan 8.230 nan 0.000 0.474 243 Q N 3.284 123.158 119.800 0.124 0.000 2.248 243 Q HA 0.074 4.419 4.340 0.009 0.000 0.263 243 Q C 0.245 176.366 176.000 0.202 0.000 1.007 243 Q CA -0.480 55.404 55.803 0.134 0.000 0.877 243 Q CB 0.982 29.798 28.738 0.130 0.000 1.315 243 Q HN 0.746 nan 8.270 nan 0.000 0.454 244 Y N 1.672 122.019 120.300 0.078 0.000 2.207 244 Y HA -0.222 4.333 4.550 0.009 0.000 0.287 244 Y C 0.820 176.884 175.900 0.274 0.000 1.156 244 Y CA 2.144 60.326 58.100 0.137 0.000 1.182 244 Y CB 0.419 38.913 38.460 0.058 0.000 0.979 244 Y HN 0.563 nan 8.280 nan 0.000 0.521 245 D N 0.275 120.761 120.400 0.145 0.000 2.328 245 D HA 0.010 4.655 4.640 0.009 0.000 0.221 245 D C -0.363 176.038 176.300 0.169 0.000 1.072 245 D CA 0.282 54.351 54.000 0.116 0.000 0.850 245 D CB -0.177 40.737 40.800 0.190 0.000 0.922 245 D HN 0.359 nan 8.370 nan 0.000 0.516 246 D N 0.677 121.152 120.400 0.126 0.000 2.341 246 D HA 0.196 4.841 4.640 0.009 0.000 0.245 246 D C 0.168 176.377 176.300 -0.152 0.000 1.106 246 D CA -0.205 53.817 54.000 0.036 0.000 0.905 246 D CB 1.825 42.672 40.800 0.078 0.000 1.202 246 D HN 0.049 nan 8.370 nan 0.000 0.426 247 I N 1.725 122.122 120.570 -0.288 0.000 2.390 247 I HA 0.223 4.398 4.170 0.009 0.000 0.283 247 I C -1.202 174.751 176.117 -0.273 0.000 1.016 247 I CA -0.508 60.520 61.300 -0.452 0.000 1.151 247 I CB 0.566 38.106 38.000 -0.766 0.000 1.293 247 I HN 0.258 nan 8.210 nan 0.000 0.458 248 C N 7.606 126.754 119.300 -0.253 0.000 2.298 248 C HA 0.556 5.021 4.460 0.009 0.000 0.323 248 C C -0.208 174.621 174.990 -0.269 0.000 1.284 248 C CA -0.620 58.284 59.018 -0.191 0.000 1.577 248 C CB 0.266 27.936 27.740 -0.118 0.000 2.249 248 C HN 0.721 nan 8.230 nan 0.000 0.497 249 K N 6.211 126.477 120.400 -0.224 0.000 2.263 249 K HA 0.470 4.795 4.320 0.009 0.000 0.282 249 K C -0.202 176.237 176.600 -0.269 0.000 1.089 249 K CA -0.087 56.025 56.287 -0.291 0.000 0.907 249 K CB 0.217 32.608 32.500 -0.181 0.000 1.148 249 K HN 0.561 nan 8.250 nan 0.000 0.470 250 I N 3.083 123.349 120.570 -0.508 0.000 2.291 250 I HA 0.100 4.275 4.170 0.009 0.000 0.292 250 I C -0.281 175.706 176.117 -0.218 0.000 1.064 250 I CA -0.229 60.811 61.300 -0.433 0.000 1.269 250 I CB 0.633 38.133 38.000 -0.833 0.000 1.418 250 I HN 0.521 nan 8.210 nan 0.000 0.485 251 D N 8.758 129.217 120.400 0.098 0.000 2.469 251 D HA 0.419 5.065 4.640 0.009 0.000 0.251 251 D C -1.027 175.611 176.300 0.563 0.000 1.173 251 D CA -0.245 53.917 54.000 0.270 0.000 0.882 251 D CB 0.815 41.730 40.800 0.191 0.000 1.129 251 D HN 0.248 nan 8.370 nan 0.000 0.549 252 F N 0.916 121.109 119.950 0.405 0.000 2.613 252 F HA 0.917 5.450 4.527 0.010 0.000 0.314 252 F C -0.369 175.417 175.800 -0.023 0.000 1.075 252 F CA -0.960 57.161 58.000 0.202 0.000 0.945 252 F CB 1.680 40.737 39.000 0.097 0.000 1.310 252 F HN 0.216 nan 8.300 nan 0.000 0.467 253 G N 0.130 108.513 108.800 -0.695 0.000 2.612 253 G HA2 0.620 4.585 3.960 0.009 0.000 0.298 253 G HA3 0.620 4.585 3.960 0.009 0.000 0.298 253 G C -1.631 173.155 174.900 -0.190 0.000 1.336 253 G CA -0.725 43.937 45.100 -0.730 0.000 0.953 253 G HN 1.018 nan 8.290 nan 0.000 0.482 254 T N -1.554 112.998 114.554 -0.002 0.000 2.916 254 T HA 0.818 5.173 4.350 0.009 0.000 0.292 254 T C -0.604 174.153 174.700 0.095 0.000 1.055 254 T CA -0.857 61.286 62.100 0.072 0.000 1.009 254 T CB 1.951 70.877 68.868 0.096 0.000 1.118 254 T HN 1.246 nan 8.240 nan 0.000 0.497 255 H N -0.604 118.443 119.070 -0.039 0.000 3.012 255 H HA 0.749 5.310 4.556 0.008 0.000 0.367 255 H C -1.778 173.473 175.328 -0.128 0.000 1.211 255 H CA -1.418 54.568 56.048 -0.103 0.000 1.139 255 H CB 1.251 30.944 29.762 -0.115 0.000 1.838 255 H HN 0.567 nan 8.280 nan 0.000 0.550 256 I N 2.226 122.667 120.570 -0.216 0.000 2.439 256 I HA 0.216 4.391 4.170 0.009 0.000 0.285 256 I C 0.142 176.177 176.117 -0.136 0.000 1.021 256 I CA -0.454 60.706 61.300 -0.233 0.000 1.091 256 I CB 1.098 38.958 38.000 -0.235 0.000 1.242 256 I HN 1.027 nan 8.210 nan 0.000 0.439 257 S N 4.291 119.983 115.700 -0.013 0.000 3.533 257 S HA -0.213 4.262 4.470 0.009 0.000 0.347 257 S C 1.309 175.716 174.600 -0.322 0.000 1.101 257 S CA 1.124 59.319 58.200 -0.008 0.000 1.009 257 S CB -1.289 61.876 63.200 -0.058 0.000 0.916 257 S HN 1.442 nan 8.310 nan 0.000 0.496 258 G N -0.045 108.452 108.800 -0.506 0.000 2.184 258 G HA2 -0.328 3.637 3.960 0.009 0.000 0.264 258 G HA3 -0.328 3.637 3.960 0.009 0.000 0.264 258 G C -0.106 174.393 174.900 -0.669 0.000 0.975 258 G CA 0.240 44.487 45.100 -1.421 0.000 0.642 258 G HN 0.554 nan 8.290 nan 0.000 0.536 259 R N 0.433 120.614 120.500 -0.532 0.000 2.248 259 R HA 0.506 4.851 4.340 0.009 0.000 0.337 259 R C 0.564 176.567 176.300 -0.495 0.000 1.106 259 R CA -0.571 54.997 56.100 -0.885 0.000 0.959 259 R CB -0.097 29.307 30.300 -1.493 0.000 1.075 259 R HN 0.424 nan 8.270 nan 0.000 0.480 260 I N 3.754 124.275 120.570 -0.081 0.000 2.396 260 I HA 0.218 4.393 4.170 0.009 0.000 0.292 260 I C 0.435 176.742 176.117 0.316 0.000 0.999 260 I CA -0.473 60.918 61.300 0.152 0.000 1.310 260 I CB 1.052 39.155 38.000 0.172 0.000 1.404 260 I HN 0.178 nan 8.210 nan 0.000 0.496 261 I N 5.208 125.899 120.570 0.202 0.000 2.330 261 I HA 0.208 4.383 4.170 0.009 0.000 0.289 261 I C -0.418 175.745 176.117 0.076 0.000 1.001 261 I CA -0.164 61.208 61.300 0.120 0.000 1.193 261 I CB 1.067 39.080 38.000 0.022 0.000 1.345 261 I HN 0.500 nan 8.210 nan 0.000 0.461 262 D N 6.498 126.964 120.400 0.111 0.000 2.441 262 D HA 0.345 4.991 4.640 0.009 0.000 0.231 262 D C -1.212 175.107 176.300 0.032 0.000 1.073 262 D CA -0.032 54.111 54.000 0.238 0.000 0.850 262 D CB 1.165 42.123 40.800 0.263 0.000 1.062 262 D HN 0.559 nan 8.370 nan 0.000 0.524 263 C N 3.644 122.903 119.300 -0.068 0.000 2.880 263 C HA 0.958 5.423 4.460 0.009 0.000 0.320 263 C C -1.409 173.636 174.990 0.092 0.000 1.176 263 C CA -0.084 58.840 59.018 -0.156 0.000 1.390 263 C CB 0.411 27.786 27.740 -0.609 0.000 1.846 263 C HN 0.756 nan 8.230 nan 0.000 0.478 264 A N 3.721 126.623 122.820 0.136 0.000 2.587 264 A HA 0.999 5.324 4.320 0.009 0.000 0.293 264 A C -1.206 176.321 177.584 -0.094 0.000 1.087 264 A CA -0.457 51.637 52.037 0.094 0.000 0.692 264 A CB 1.153 20.110 19.000 -0.071 0.000 1.291 264 A HN 1.790 nan 8.150 nan 0.000 0.407 265 F N -1.434 118.245 119.950 -0.451 0.000 2.664 265 F HA 0.856 5.388 4.527 0.009 0.000 0.317 265 F C -0.364 174.964 175.800 -0.787 0.000 1.108 265 F CA -0.799 56.640 58.000 -0.934 0.000 0.957 265 F CB 1.476 39.973 39.000 -0.839 0.000 1.365 265 F HN 0.383 nan 8.300 nan 0.000 0.475 266 T N 1.823 115.831 114.554 -0.910 0.000 2.824 266 T HA 0.610 4.966 4.350 0.009 0.000 0.280 266 T C -0.844 173.680 174.700 -0.293 0.000 0.995 266 T CA -0.597 61.137 62.100 -0.610 0.000 1.009 266 T CB 1.747 70.253 68.868 -0.602 0.000 0.955 266 T HN 0.550 nan 8.240 nan 0.000 0.452 267 V N 4.115 123.832 119.914 -0.329 0.000 2.435 267 V HA 0.741 4.866 4.120 0.009 0.000 0.290 267 V C 0.398 176.204 176.094 -0.480 0.000 1.030 267 V CA -0.572 61.534 62.300 -0.325 0.000 0.881 267 V CB 1.552 33.192 31.823 -0.305 0.000 0.983 267 V HN 1.165 nan 8.190 nan 0.000 0.445 268 T N 0.679 114.877 114.554 -0.594 0.000 2.864 268 T HA 0.678 5.033 4.350 0.009 0.000 0.299 268 T C -0.235 173.929 174.700 -0.893 0.000 1.166 268 T CA -0.422 61.317 62.100 -0.602 0.000 1.007 268 T CB 1.809 70.541 68.868 -0.227 0.000 1.219 268 T HN 0.192 nan 8.240 nan 0.000 0.506 269 F N -0.575 119.297 119.950 -0.130 0.000 2.819 269 F HA 0.433 4.965 4.527 0.009 0.000 0.325 269 F C 0.993 176.608 175.800 -0.309 0.000 1.041 269 F CA -0.779 57.123 58.000 -0.164 0.000 1.184 269 F CB 0.577 39.491 39.000 -0.143 0.000 1.019 269 F HN 0.434 nan 8.300 nan 0.000 0.590 270 N N 2.679 121.185 118.700 -0.324 0.000 2.422 270 N HA 0.212 4.958 4.740 0.009 0.000 0.266 270 N C -2.014 173.431 175.510 -0.108 0.000 1.007 270 N CA -2.254 50.622 53.050 -0.290 0.000 0.941 270 N CB 1.665 39.888 38.487 -0.440 0.000 1.115 270 N HN -0.169 nan 8.380 nan 0.000 0.492 271 P HA -0.149 nan 4.420 nan 0.000 0.223 271 P C 0.992 178.236 177.300 -0.093 0.000 1.144 271 P CA 1.088 64.171 63.100 -0.028 0.000 0.783 271 P CB 0.135 31.842 31.700 0.012 0.000 0.771 272 K N -0.322 119.948 120.400 -0.216 0.000 2.286 272 K HA -0.186 4.139 4.320 0.009 0.000 0.203 272 K C 1.113 177.504 176.600 -0.349 0.000 1.045 272 K CA 1.453 57.552 56.287 -0.314 0.000 0.935 272 K CB -1.027 31.197 32.500 -0.459 0.000 0.737 272 K HN 0.200 nan 8.250 nan 0.000 0.460 273 Y N 1.429 121.652 120.300 -0.127 0.000 2.466 273 Y HA 0.049 4.604 4.550 0.009 0.000 0.272 273 Y C 1.279 177.132 175.900 -0.078 0.000 1.169 273 Y CA -0.312 57.706 58.100 -0.135 0.000 1.285 273 Y CB 0.156 38.501 38.460 -0.193 0.000 1.078 273 Y HN 0.065 nan 8.280 nan 0.000 0.523 274 D N 0.151 120.582 120.400 0.053 0.000 2.133 274 D HA -0.186 4.459 4.640 0.009 0.000 0.192 274 D C 1.983 178.308 176.300 0.042 0.000 1.001 274 D CA 2.141 56.167 54.000 0.042 0.000 0.844 274 D CB -0.443 40.373 40.800 0.026 0.000 0.944 274 D HN 0.248 nan 8.370 nan 0.000 0.447 275 T N 0.850 115.436 114.554 0.054 0.000 2.867 275 T HA -0.105 4.251 4.350 0.009 0.000 0.268 275 T C 1.895 176.609 174.700 0.022 0.000 1.057 275 T CA 0.413 62.558 62.100 0.076 0.000 1.136 275 T CB -0.240 68.704 68.868 0.127 0.000 0.874 275 T HN 0.049 nan 8.240 nan 0.000 0.466 276 L N 0.817 122.064 121.223 0.041 0.000 2.046 276 L HA 0.040 4.385 4.340 0.009 0.000 0.208 276 L C 1.967 178.817 176.870 -0.034 0.000 1.077 276 L CA 1.555 56.401 54.840 0.010 0.000 0.747 276 L CB -0.783 41.314 42.059 0.063 0.000 0.896 276 L HN 0.092 nan 8.230 nan 0.000 0.432 277 L N -0.079 121.152 121.223 0.014 0.000 2.046 277 L HA -0.179 4.166 4.340 0.009 0.000 0.208 277 L C 2.855 179.695 176.870 -0.050 0.000 1.077 277 L CA 1.942 56.830 54.840 0.079 0.000 0.747 277 L CB -1.316 40.815 42.059 0.121 0.000 0.896 277 L HN 0.304 nan 8.230 nan 0.000 0.432 278 K N -0.456 119.869 120.400 -0.126 0.000 2.057 278 K HA -0.097 4.228 4.320 0.009 0.000 0.207 278 K C 2.234 178.546 176.600 -0.479 0.000 1.049 278 K CA 1.106 57.261 56.287 -0.220 0.000 0.931 278 K CB -0.653 31.806 32.500 -0.069 0.000 0.714 278 K HN 0.457 nan 8.250 nan 0.000 0.440 279 A N 0.279 122.653 122.820 -0.743 0.000 1.883 279 A HA -0.087 4.239 4.320 0.009 0.000 0.217 279 A C 2.446 179.718 177.584 -0.519 0.000 1.186 279 A CA 2.175 53.472 52.037 -1.233 0.000 0.624 279 A CB -0.806 17.701 19.000 -0.822 0.000 0.822 279 A HN 0.353 nan 8.150 nan 0.000 0.444 280 V N 0.128 119.892 119.914 -0.250 0.000 2.358 280 V HA -0.225 3.900 4.120 0.009 0.000 0.246 280 V C 2.499 178.543 176.094 -0.083 0.000 1.047 280 V CA 2.235 64.494 62.300 -0.069 0.000 1.035 280 V CB -0.681 31.186 31.823 0.073 0.000 0.658 280 V HN 0.674 nan 8.190 nan 0.000 0.452 281 K N 0.135 120.361 120.400 -0.290 0.000 2.063 281 K HA -0.275 4.050 4.320 0.009 0.000 0.208 281 K C 1.991 178.429 176.600 -0.270 0.000 1.048 281 K CA 2.044 57.978 56.287 -0.587 0.000 0.928 281 K CB -0.272 31.655 32.500 -0.955 0.000 0.713 281 K HN 0.441 nan 8.250 nan 0.000 0.442 282 D N 0.081 120.353 120.400 -0.214 0.000 2.117 282 D HA -0.094 4.551 4.640 0.009 0.000 0.198 282 D C 1.695 177.972 176.300 -0.039 0.000 0.982 282 D CA 1.388 55.338 54.000 -0.084 0.000 0.828 282 D CB -0.100 40.703 40.800 0.005 0.000 0.967 282 D HN 0.315 nan 8.370 nan 0.000 0.464 283 A N -0.499 122.287 122.820 -0.056 0.000 1.902 283 A HA -0.161 4.164 4.320 0.009 0.000 0.217 283 A C 2.394 179.973 177.584 -0.009 0.000 1.181 283 A CA 2.297 54.327 52.037 -0.012 0.000 0.623 283 A CB -0.999 17.992 19.000 -0.014 0.000 0.818 283 A HN 0.315 nan 8.150 nan 0.000 0.443 284 T N 0.584 115.127 114.554 -0.018 0.000 2.777 284 T HA -0.114 4.241 4.350 0.009 0.000 0.266 284 T C 1.830 176.542 174.700 0.019 0.000 1.040 284 T CA 1.421 63.527 62.100 0.009 0.000 1.141 284 T CB -0.379 68.514 68.868 0.043 0.000 0.868 284 T HN 0.486 nan 8.240 nan 0.000 0.444 285 N N 0.772 119.473 118.700 0.002 0.000 2.244 285 N HA -0.051 4.695 4.740 0.009 0.000 0.183 285 N C 1.997 177.503 175.510 -0.006 0.000 1.016 285 N CA 1.108 54.160 53.050 0.003 0.000 0.866 285 N CB -0.537 37.941 38.487 -0.015 0.000 0.980 285 N HN 0.358 nan 8.380 nan 0.000 0.430 286 T N -0.220 114.332 114.554 -0.003 0.000 2.777 286 T HA -0.050 4.306 4.350 0.009 0.000 0.266 286 T C 1.902 176.596 174.700 -0.009 0.000 1.040 286 T CA 1.352 63.451 62.100 -0.002 0.000 1.141 286 T CB -0.556 68.319 68.868 0.012 0.000 0.868 286 T HN 0.359 nan 8.240 nan 0.000 0.444 287 G N 1.181 109.976 108.800 -0.008 0.000 2.408 287 G HA2 -0.108 3.857 3.960 0.009 0.000 0.217 287 G HA3 -0.108 3.857 3.960 0.009 0.000 0.217 287 G C 1.528 176.408 174.900 -0.033 0.000 1.150 287 G CA 0.360 45.448 45.100 -0.020 0.000 0.776 287 G HN 0.478 nan 8.290 nan 0.000 0.542 288 I N 1.329 121.887 120.570 -0.021 0.000 2.226 288 I HA -0.098 4.078 4.170 0.009 0.000 0.245 288 I C 3.389 179.476 176.117 -0.049 0.000 1.100 288 I CA 1.646 62.925 61.300 -0.034 0.000 1.374 288 I CB -0.175 37.813 38.000 -0.021 0.000 1.057 288 I HN 0.299 nan 8.210 nan 0.000 0.413 289 K N -0.047 120.329 120.400 -0.040 0.000 2.057 289 K HA -0.174 4.151 4.320 0.009 0.000 0.206 289 K C 1.963 178.544 176.600 -0.031 0.000 1.050 289 K CA 1.787 58.049 56.287 -0.041 0.000 0.935 289 K CB -1.740 30.740 32.500 -0.032 0.000 0.715 289 K HN 0.441 nan 8.250 nan 0.000 0.439 290 C N 0.209 119.491 119.300 -0.029 0.000 2.446 290 C HA 0.456 4.921 4.460 0.009 0.000 0.279 290 C C 1.890 176.860 174.990 -0.033 0.000 1.366 290 C CA -0.657 58.346 59.018 -0.026 0.000 1.763 290 C CB -0.967 26.757 27.740 -0.028 0.000 1.929 290 C HN 0.733 nan 8.230 nan 0.000 0.509 291 A N 0.440 123.230 122.820 -0.051 0.000 2.483 291 A HA 0.512 4.837 4.320 0.009 0.000 0.238 291 A C 0.569 178.163 177.584 0.016 0.000 1.070 291 A CA 1.063 53.057 52.037 -0.072 0.000 0.770 291 A CB -0.289 18.646 19.000 -0.109 0.000 1.008 291 A HN 0.883 nan 8.150 nan 0.000 0.497 292 G N -0.148 108.662 108.800 0.016 0.000 2.338 292 G HA2 0.431 4.396 3.960 0.009 0.000 0.295 292 G HA3 0.431 4.396 3.960 0.009 0.000 0.295 292 G C -0.797 174.046 174.900 -0.095 0.000 1.461 292 G CA -0.936 44.238 45.100 0.124 0.000 0.817 292 G HN 0.779 nan 8.290 nan 0.000 0.556 293 I N 1.410 121.755 120.570 -0.375 0.000 2.683 293 I HA 0.099 4.274 4.170 0.009 0.000 0.286 293 I C 0.586 176.576 176.117 -0.212 0.000 1.175 293 I CA 0.806 61.909 61.300 -0.329 0.000 1.429 293 I CB 0.453 38.137 38.000 -0.525 0.000 1.371 293 I HN 0.666 nan 8.210 nan 0.000 0.569 294 D N 2.456 122.785 120.400 -0.119 0.000 2.911 294 D HA -0.137 4.508 4.640 0.009 0.000 0.199 294 D C -0.144 176.118 176.300 -0.064 0.000 1.041 294 D CA 0.558 54.510 54.000 -0.080 0.000 1.013 294 D CB -1.018 39.731 40.800 -0.085 0.000 1.093 294 D HN 0.220 nan 8.370 nan 0.000 0.431 295 V N 1.272 121.143 119.914 -0.072 0.000 2.614 295 V HA 0.135 4.260 4.120 0.009 0.000 0.291 295 V C 1.155 177.215 176.094 -0.057 0.000 1.049 295 V CA 0.025 62.288 62.300 -0.061 0.000 1.038 295 V CB 1.055 32.838 31.823 -0.067 0.000 0.980 295 V HN 0.009 nan 8.190 nan 0.000 0.481 296 R N 4.049 124.524 120.500 -0.042 0.000 2.347 296 R HA 0.273 4.618 4.340 0.009 0.000 0.304 296 R C 1.018 177.293 176.300 -0.043 0.000 1.072 296 R CA -0.372 55.708 56.100 -0.032 0.000 0.980 296 R CB 0.361 30.649 30.300 -0.020 0.000 0.986 296 R HN 0.607 nan 8.270 nan 0.000 0.448 297 L N 2.215 123.414 121.223 -0.039 0.000 2.079 297 L HA -0.302 4.043 4.340 0.009 0.000 0.210 297 L C 2.496 179.350 176.870 -0.026 0.000 1.081 297 L CA 1.383 56.195 54.840 -0.047 0.000 0.752 297 L CB -0.608 41.443 42.059 -0.014 0.000 0.896 297 L HN 0.893 nan 8.230 nan 0.000 0.433 298 C N -1.643 117.650 119.300 -0.012 0.000 2.422 298 C HA -0.106 4.359 4.460 0.009 0.000 0.279 298 C C 2.140 177.125 174.990 -0.009 0.000 1.305 298 C CA 0.263 59.278 59.018 -0.005 0.000 1.757 298 C CB -0.938 26.802 27.740 0.000 0.000 1.962 298 C HN 0.470 nan 8.230 nan 0.000 0.499 299 D N 1.288 121.678 120.400 -0.017 0.000 2.183 299 D HA -0.034 4.611 4.640 0.009 0.000 0.203 299 D C 2.400 178.688 176.300 -0.020 0.000 0.969 299 D CA 1.092 55.082 54.000 -0.017 0.000 0.842 299 D CB -0.245 40.543 40.800 -0.020 0.000 0.957 299 D HN 0.456 nan 8.370 nan 0.000 0.484 300 V N 0.818 120.712 119.914 -0.033 0.000 2.358 300 V HA -0.118 4.008 4.120 0.009 0.000 0.246 300 V C 2.521 178.604 176.094 -0.018 0.000 1.047 300 V CA 1.959 64.236 62.300 -0.038 0.000 1.035 300 V CB -0.921 30.858 31.823 -0.073 0.000 0.658 300 V HN 0.234 nan 8.190 nan 0.000 0.452 301 G N -0.695 108.099 108.800 -0.010 0.000 2.418 301 G HA2 -0.288 3.677 3.960 0.009 0.000 0.217 301 G HA3 -0.288 3.677 3.960 0.009 0.000 0.217 301 G C 1.521 176.427 174.900 0.010 0.000 1.158 301 G CA 0.951 46.054 45.100 0.006 0.000 0.771 301 G HN 0.566 nan 8.290 nan 0.000 0.545 302 E N 0.401 120.604 120.200 0.006 0.000 2.051 302 E HA -0.060 4.295 4.350 0.009 0.000 0.192 302 E C 2.787 179.394 176.600 0.011 0.000 0.991 302 E CA 1.056 57.462 56.400 0.009 0.000 0.799 302 E CB -0.251 29.452 29.700 0.005 0.000 0.748 302 E HN 0.333 nan 8.360 nan 0.000 0.449 303 A N 1.012 123.835 122.820 0.006 0.000 1.883 303 A HA -0.190 4.135 4.320 0.009 0.000 0.217 303 A C 2.191 179.785 177.584 0.018 0.000 1.186 303 A CA 1.504 53.546 52.037 0.008 0.000 0.624 303 A CB -0.720 18.280 19.000 -0.000 0.000 0.822 303 A HN 0.350 nan 8.150 nan 0.000 0.444 304 I N -0.655 119.925 120.570 0.016 0.000 2.163 304 I HA -0.341 3.834 4.170 0.009 0.000 0.243 304 I C 2.860 178.999 176.117 0.037 0.000 1.085 304 I CA 2.003 63.317 61.300 0.024 0.000 1.347 304 I CB -0.330 37.682 38.000 0.021 0.000 1.044 304 I HN 0.558 nan 8.210 nan 0.000 0.408 305 Q N 0.874 120.696 119.800 0.035 0.000 2.084 305 Q HA -0.289 4.056 4.340 0.009 0.000 0.202 305 Q C 2.153 178.183 176.000 0.050 0.000 0.978 305 Q CA 1.952 57.780 55.803 0.042 0.000 0.844 305 Q CB -0.081 28.677 28.738 0.034 0.000 0.898 305 Q HN 0.497 nan 8.270 nan 0.000 0.426 306 E N -0.620 119.604 120.200 0.041 0.000 2.058 306 E HA -0.199 4.156 4.350 0.009 0.000 0.194 306 E C 1.916 178.553 176.600 0.062 0.000 0.997 306 E CA 1.652 58.076 56.400 0.041 0.000 0.801 306 E CB 0.045 29.760 29.700 0.026 0.000 0.746 306 E HN 0.279 nan 8.360 nan 0.000 0.450 307 V N 0.895 120.853 119.914 0.074 0.000 2.270 307 V HA -0.279 3.846 4.120 0.009 0.000 0.245 307 V C 2.507 178.729 176.094 0.213 0.000 1.043 307 V CA 1.991 64.367 62.300 0.126 0.000 1.014 307 V CB -0.523 31.368 31.823 0.113 0.000 0.645 307 V HN 0.408 nan 8.190 nan 0.000 0.447 308 M N 0.502 120.188 119.600 0.142 0.000 2.082 308 M HA -0.242 4.243 4.480 0.009 0.000 0.258 308 M C 1.926 178.341 176.300 0.191 0.000 1.069 308 M CA 1.999 57.378 55.300 0.132 0.000 1.102 308 M CB -0.526 32.113 32.600 0.066 0.000 1.336 308 M HN 0.351 nan 8.290 nan 0.000 0.404 309 E N -0.730 119.553 120.200 0.138 0.000 2.482 309 E HA -0.072 4.284 4.350 0.009 0.000 0.196 309 E C 1.668 178.338 176.600 0.117 0.000 1.047 309 E CA 0.820 57.291 56.400 0.118 0.000 0.869 309 E CB -0.192 29.554 29.700 0.076 0.000 0.836 309 E HN 0.720 nan 8.360 nan 0.000 0.520 310 S N -0.283 115.496 115.700 0.131 0.000 2.561 310 S HA -0.048 4.427 4.470 0.009 0.000 0.225 310 S C 0.351 174.920 174.600 -0.052 0.000 0.977 310 S CA 0.004 58.212 58.200 0.015 0.000 0.926 310 S CB -0.136 63.032 63.200 -0.052 0.000 0.769 310 S HN 0.085 nan 8.310 nan 0.000 0.533 311 Y N 2.786 123.103 120.300 0.028 0.000 2.334 311 Y HA 0.508 5.063 4.550 0.008 0.000 0.328 311 Y C 0.403 176.333 175.900 0.050 0.000 1.130 311 Y CA -1.182 56.938 58.100 0.034 0.000 1.163 311 Y CB 1.061 39.541 38.460 0.034 0.000 1.207 311 Y HN 0.348 nan 8.280 nan 0.000 0.471 312 E N 1.704 122.019 120.200 0.191 0.000 2.266 312 E HA 0.725 5.080 4.350 0.009 0.000 0.268 312 E C -1.556 175.146 176.600 0.169 0.000 0.879 312 E CA -1.218 55.275 56.400 0.155 0.000 0.762 312 E CB 2.313 32.067 29.700 0.090 0.000 1.199 312 E HN 0.373 nan 8.360 nan 0.000 0.422 313 V N -1.045 118.983 119.914 0.190 0.000 3.102 313 V HA 0.667 4.792 4.120 0.009 0.000 0.312 313 V C -0.864 175.346 176.094 0.194 0.000 1.135 313 V CA -0.956 61.453 62.300 0.181 0.000 1.022 313 V CB 1.843 33.778 31.823 0.186 0.000 1.056 313 V HN 0.944 nan 8.190 nan 0.000 0.436 314 E N 1.618 121.903 120.200 0.141 0.000 2.241 314 E HA 0.712 5.067 4.350 0.009 0.000 0.263 314 E C -1.735 174.924 176.600 0.098 0.000 0.882 314 E CA -0.731 55.737 56.400 0.114 0.000 0.769 314 E CB 1.901 31.631 29.700 0.049 0.000 1.185 314 E HN 0.813 nan 8.360 nan 0.000 0.415 315 I N 3.950 124.620 120.570 0.167 0.000 2.478 315 I HA 0.221 4.396 4.170 0.009 0.000 0.287 315 I C -0.774 175.414 176.117 0.118 0.000 1.042 315 I CA -0.780 60.571 61.300 0.085 0.000 1.067 315 I CB 1.909 39.963 38.000 0.089 0.000 1.233 315 I HN 0.604 nan 8.210 nan 0.000 0.431 316 D N 5.360 125.778 120.400 0.030 0.000 2.689 316 D HA -0.188 4.457 4.640 0.009 0.000 0.237 316 D C 1.147 177.478 176.300 0.053 0.000 1.148 316 D CA 1.627 55.655 54.000 0.047 0.000 0.656 316 D CB -0.830 40.022 40.800 0.088 0.000 1.050 316 D HN 1.192 nan 8.370 nan 0.000 0.426 317 G N -0.238 108.579 108.800 0.029 0.000 2.168 317 G HA2 -0.379 3.587 3.960 0.009 0.000 0.263 317 G HA3 -0.379 3.587 3.960 0.009 0.000 0.263 317 G C 0.314 175.207 174.900 -0.012 0.000 0.977 317 G CA 1.025 46.132 45.100 0.010 0.000 0.659 317 G HN 0.671 nan 8.290 nan 0.000 0.533 318 K N 0.636 121.028 120.400 -0.013 0.000 2.259 318 K HA 0.675 5.001 4.320 0.009 0.000 0.249 318 K C 0.396 176.855 176.600 -0.235 0.000 0.942 318 K CA -0.043 56.156 56.287 -0.147 0.000 0.816 318 K CB 1.342 33.724 32.500 -0.196 0.000 1.155 318 K HN 0.267 nan 8.250 nan 0.000 0.428 319 T N -0.240 114.106 114.554 -0.346 0.000 2.925 319 T HA 0.552 4.907 4.350 0.009 0.000 0.285 319 T C -0.959 173.484 174.700 -0.428 0.000 1.021 319 T CA -0.515 61.448 62.100 -0.229 0.000 1.042 319 T CB 0.610 69.426 68.868 -0.087 0.000 1.037 319 T HN 0.451 nan 8.240 nan 0.000 0.481 320 Y N -0.416 119.920 120.300 0.060 0.000 2.544 320 Y HA 0.448 5.003 4.550 0.009 0.000 0.342 320 Y C -0.105 175.835 175.900 0.067 0.000 1.062 320 Y CA -1.198 56.940 58.100 0.063 0.000 1.023 320 Y CB 2.215 40.724 38.460 0.081 0.000 1.308 320 Y HN 0.768 nan 8.280 nan 0.000 0.457 321 Q N 2.221 122.154 119.800 0.222 0.000 2.296 321 Q HA 0.487 4.832 4.340 0.009 0.000 0.257 321 Q C -1.060 175.039 176.000 0.165 0.000 0.942 321 Q CA -0.597 55.303 55.803 0.162 0.000 0.939 321 Q CB 1.144 29.949 28.738 0.111 0.000 1.198 321 Q HN 0.665 nan 8.270 nan 0.000 0.429 322 V N 5.523 125.531 119.914 0.157 0.000 2.599 322 V HA -0.026 4.099 4.120 0.009 0.000 0.300 322 V C 0.311 176.458 176.094 0.089 0.000 1.034 322 V CA 0.509 62.875 62.300 0.111 0.000 1.115 322 V CB 0.161 32.042 31.823 0.096 0.000 0.934 322 V HN 0.732 nan 8.190 nan 0.000 0.485 323 K N 5.613 126.050 120.400 0.062 0.000 2.324 323 K HA 0.628 4.954 4.320 0.009 0.000 0.253 323 K C -3.164 173.463 176.600 0.044 0.000 0.932 323 K CA -2.218 54.101 56.287 0.053 0.000 0.799 323 K CB 2.357 34.885 32.500 0.047 0.000 1.154 323 K HN 0.281 nan 8.250 nan 0.000 0.425 324 P HA 0.126 nan 4.420 nan 0.000 0.271 324 P C -0.387 176.939 177.300 0.043 0.000 1.218 324 P CA -0.205 62.930 63.100 0.058 0.000 0.780 324 P CB 0.447 32.181 31.700 0.056 0.000 0.901 325 I N 3.833 124.434 120.570 0.052 0.000 2.329 325 I HA 0.117 4.293 4.170 0.009 0.000 0.295 325 I C 2.040 178.147 176.117 -0.018 0.000 1.109 325 I CA -0.210 61.081 61.300 -0.016 0.000 1.297 325 I CB 0.360 38.301 38.000 -0.098 0.000 1.433 325 I HN 0.442 nan 8.210 nan 0.000 0.509 326 R N 5.178 125.669 120.500 -0.016 0.000 2.152 326 R HA -0.159 4.186 4.340 0.009 0.000 0.232 326 R C 0.795 177.081 176.300 -0.024 0.000 1.117 326 R CA 1.613 57.708 56.100 -0.008 0.000 0.981 326 R CB -0.340 29.957 30.300 -0.005 0.000 0.870 326 R HN 0.668 nan 8.270 nan 0.000 0.451 327 N N 0.842 119.507 118.700 -0.057 0.000 2.279 327 N HA 0.126 4.871 4.740 0.009 0.000 0.226 327 N C -0.328 175.117 175.510 -0.108 0.000 1.126 327 N CA -0.071 52.938 53.050 -0.069 0.000 0.846 327 N CB 0.324 38.767 38.487 -0.072 0.000 1.050 327 N HN 0.227 nan 8.380 nan 0.000 0.502 328 L N 0.727 121.883 121.223 -0.112 0.000 2.333 328 L HA 0.500 4.845 4.340 0.009 0.000 0.269 328 L C -0.769 176.120 176.870 0.033 0.000 1.010 328 L CA -0.914 53.837 54.840 -0.148 0.000 0.818 328 L CB 1.748 43.543 42.059 -0.439 0.000 1.306 328 L HN 0.241 nan 8.230 nan 0.000 0.430 329 N N 0.045 118.815 118.700 0.118 0.000 3.046 329 N HA 0.534 5.279 4.740 0.009 0.000 0.243 329 N C -0.653 175.024 175.510 0.280 0.000 1.452 329 N CA -0.785 52.373 53.050 0.180 0.000 0.882 329 N CB 1.004 39.567 38.487 0.126 0.000 1.425 329 N HN 0.531 nan 8.380 nan 0.000 0.517 330 G N -1.463 107.470 108.800 0.221 0.000 2.563 330 G HA2 0.591 4.556 3.960 0.009 0.000 0.283 330 G HA3 0.591 4.556 3.960 0.009 0.000 0.283 330 G C -0.900 174.169 174.900 0.281 0.000 1.309 330 G CA -0.099 45.113 45.100 0.187 0.000 1.022 330 G HN 1.173 nan 8.290 nan 0.000 0.501 331 H N -3.323 115.882 119.070 0.225 0.000 3.043 331 H HA 0.516 5.078 4.556 0.009 0.000 0.317 331 H C -0.277 175.122 175.328 0.118 0.000 1.321 331 H CA -0.490 55.691 56.048 0.223 0.000 1.243 331 H CB 0.241 30.151 29.762 0.248 0.000 1.924 331 H HN 0.690 nan 8.280 nan 0.000 0.527 332 S N 1.227 116.943 115.700 0.027 0.000 2.579 332 S HA 0.452 4.927 4.470 0.009 0.000 0.275 332 S C 0.039 174.575 174.600 -0.107 0.000 1.345 332 S CA -0.564 57.375 58.200 -0.435 0.000 1.031 332 S CB 0.308 63.204 63.200 -0.506 0.000 0.892 332 S HN 0.542 nan 8.310 nan 0.000 0.529 333 I N 1.413 121.880 120.570 -0.172 0.000 2.474 333 I HA 0.619 4.794 4.170 0.009 0.000 0.294 333 I C 0.711 176.810 176.117 -0.030 0.000 1.005 333 I CA -0.637 60.643 61.300 -0.033 0.000 1.113 333 I CB 2.078 40.094 38.000 0.025 0.000 1.289 333 I HN 0.896 nan 8.210 nan 0.000 0.436 334 G N 3.414 112.197 108.800 -0.028 0.000 2.685 334 G HA2 0.368 4.333 3.960 0.009 0.000 0.298 334 G HA3 0.368 4.333 3.960 0.009 0.000 0.298 334 G C -1.265 173.642 174.900 0.012 0.000 1.277 334 G CA -0.545 44.538 45.100 -0.027 0.000 0.986 334 G HN 0.545 nan 8.290 nan 0.000 0.487 335 Q N -0.477 119.347 119.800 0.040 0.000 2.255 335 Q HA 0.124 4.469 4.340 0.009 0.000 0.280 335 Q C -0.458 175.642 176.000 0.167 0.000 1.068 335 Q CA 0.179 55.993 55.803 0.018 0.000 0.911 335 Q CB -0.091 28.693 28.738 0.078 0.000 1.157 335 Q HN 0.571 nan 8.270 nan 0.000 0.380 336 Y N 0.873 121.212 120.300 0.065 0.000 4.324 336 Y HA -0.323 4.233 4.550 0.009 0.000 0.224 336 Y C 0.030 176.029 175.900 0.166 0.000 1.113 336 Y CA 1.366 59.516 58.100 0.084 0.000 1.887 336 Y CB -1.176 37.358 38.460 0.124 0.000 1.602 336 Y HN 0.619 nan 8.280 nan 0.000 0.654 337 R N 0.574 121.159 120.500 0.142 0.000 2.487 337 R HA 0.415 4.760 4.340 0.009 0.000 0.288 337 R C 0.874 177.148 176.300 -0.043 0.000 1.394 337 R CA -0.510 55.592 56.100 0.002 0.000 1.155 337 R CB 0.118 30.210 30.300 -0.347 0.000 1.156 337 R HN 0.196 nan 8.270 nan 0.000 0.553 338 I N 2.010 122.551 120.570 -0.048 0.000 2.335 338 I HA -0.184 3.991 4.170 0.009 0.000 0.251 338 I C -0.227 175.622 176.117 -0.446 0.000 1.129 338 I CA 1.684 62.858 61.300 -0.211 0.000 1.402 338 I CB -0.015 37.790 38.000 -0.326 0.000 1.069 338 I HN 0.615 nan 8.210 nan 0.000 0.424 339 H N -0.573 118.429 119.070 -0.115 0.000 2.791 339 H HA 0.560 5.122 4.556 0.009 0.000 0.272 339 H C 0.903 176.172 175.328 -0.098 0.000 1.188 339 H CA 0.194 56.163 56.048 -0.132 0.000 1.436 339 H CB 1.100 30.722 29.762 -0.233 0.000 1.467 339 H HN 0.104 nan 8.280 nan 0.000 0.500 340 A N 2.162 124.981 122.820 -0.002 0.000 2.209 340 A HA 0.269 4.594 4.320 0.009 0.000 0.212 340 A C 2.045 179.599 177.584 -0.050 0.000 1.158 340 A CA 1.158 53.138 52.037 -0.096 0.000 0.742 340 A CB -0.189 18.742 19.000 -0.115 0.000 0.790 340 A HN 0.934 nan 8.150 nan 0.000 0.472 341 G N -1.485 107.328 108.800 0.022 0.000 2.545 341 G HA2 -0.143 3.822 3.960 0.009 0.000 0.195 341 G HA3 -0.143 3.822 3.960 0.009 0.000 0.195 341 G C 0.248 175.186 174.900 0.063 0.000 1.009 341 G CA 0.010 45.129 45.100 0.031 0.000 0.703 341 G HN 0.442 nan 8.290 nan 0.000 0.479 342 K N 1.689 122.139 120.400 0.082 0.000 2.130 342 K HA 0.607 4.932 4.320 0.009 0.000 0.268 342 K C -0.002 176.723 176.600 0.207 0.000 0.983 342 K CA 0.241 56.612 56.287 0.139 0.000 0.893 342 K CB 1.518 34.126 32.500 0.180 0.000 1.066 342 K HN 0.333 nan 8.250 nan 0.000 0.450 343 T N -2.059 112.609 114.554 0.189 0.000 2.887 343 T HA 0.450 4.805 4.350 0.009 0.000 0.288 343 T C -0.401 174.400 174.700 0.170 0.000 1.021 343 T CA -0.887 61.334 62.100 0.201 0.000 1.000 343 T CB 1.342 70.291 68.868 0.135 0.000 1.034 343 T HN 0.127 nan 8.240 nan 0.000 0.467 344 V N 4.294 124.306 119.914 0.163 0.000 2.293 344 V HA 0.396 4.521 4.120 0.009 0.000 0.275 344 V C -2.065 174.071 176.094 0.070 0.000 1.021 344 V CA -1.944 60.402 62.300 0.077 0.000 0.815 344 V CB 0.587 32.429 31.823 0.032 0.000 1.025 344 V HN 0.813 nan 8.190 nan 0.000 0.448 345 P HA 0.197 nan 4.420 nan 0.000 0.270 345 P C 0.433 177.759 177.300 0.044 0.000 1.223 345 P CA 0.073 63.201 63.100 0.046 0.000 0.785 345 P CB 1.076 32.795 31.700 0.031 0.000 0.923 346 I N -1.167 119.433 120.570 0.051 0.000 3.947 346 I HA 0.382 4.557 4.170 0.009 0.000 0.327 346 I C 0.259 176.400 176.117 0.041 0.000 1.519 346 I CA -0.489 60.843 61.300 0.052 0.000 1.122 346 I CB -0.271 37.778 38.000 0.082 0.000 1.146 346 I HN 0.131 nan 8.210 nan 0.000 0.442 347 I N -1.049 119.540 120.570 0.031 0.000 3.095 347 I HA 0.549 4.724 4.170 0.009 0.000 0.310 347 I C -0.426 175.702 176.117 0.019 0.000 1.196 347 I CA -1.155 60.160 61.300 0.025 0.000 0.985 347 I CB 1.886 39.899 38.000 0.022 0.000 1.250 347 I HN 0.072 nan 8.210 nan 0.000 0.446 348 K N 1.360 121.770 120.400 0.016 0.000 2.149 348 K HA 0.642 4.967 4.320 0.009 0.000 0.245 348 K C 0.774 177.380 176.600 0.011 0.000 1.024 348 K CA 0.133 56.427 56.287 0.012 0.000 0.899 348 K CB 0.406 32.913 32.500 0.011 0.000 1.038 348 K HN 1.304 nan 8.250 nan 0.000 0.496 349 G N -0.601 108.204 108.800 0.008 0.000 2.176 349 G HA2 -0.205 3.761 3.960 0.009 0.000 0.232 349 G HA3 -0.205 3.761 3.960 0.009 0.000 0.232 349 G C 0.460 175.365 174.900 0.009 0.000 0.986 349 G CA -0.128 44.976 45.100 0.008 0.000 0.643 349 G HN 0.992 nan 8.290 nan 0.000 0.522 350 G N -0.413 108.393 108.800 0.010 0.000 2.489 350 G HA2 0.530 4.495 3.960 0.009 0.000 0.271 350 G HA3 0.530 4.495 3.960 0.009 0.000 0.271 350 G C 0.033 174.940 174.900 0.012 0.000 1.427 350 G CA -0.136 44.972 45.100 0.013 0.000 1.057 350 G HN 0.472 nan 8.290 nan 0.000 0.532 351 E N -0.735 119.475 120.200 0.016 0.000 2.343 351 E HA 0.383 4.738 4.350 0.009 0.000 0.269 351 E C 0.759 177.366 176.600 0.012 0.000 1.047 351 E CA -0.148 56.262 56.400 0.016 0.000 0.874 351 E CB 1.516 31.230 29.700 0.023 0.000 1.033 351 E HN 0.398 nan 8.360 nan 0.000 0.409 352 A N 2.734 125.560 122.820 0.009 0.000 2.238 352 A HA 0.013 4.338 4.320 0.009 0.000 0.208 352 A C 0.716 178.304 177.584 0.007 0.000 1.177 352 A CA -0.011 52.028 52.037 0.004 0.000 0.804 352 A CB -0.249 18.752 19.000 0.003 0.000 0.823 352 A HN 0.536 nan 8.150 nan 0.000 0.482 353 T N 1.679 116.243 114.554 0.016 0.000 2.923 353 T HA 0.107 4.462 4.350 0.009 0.000 0.304 353 T C 0.478 175.189 174.700 0.019 0.000 1.044 353 T CA 0.588 62.702 62.100 0.024 0.000 1.141 353 T CB 0.204 69.097 68.868 0.041 0.000 1.023 353 T HN 0.468 nan 8.240 nan 0.000 0.533 354 R N 2.148 122.659 120.500 0.019 0.000 2.536 354 R HA 0.454 4.799 4.340 0.009 0.000 0.279 354 R C 0.425 176.745 176.300 0.032 0.000 1.001 354 R CA -0.754 55.349 56.100 0.006 0.000 1.027 354 R CB 0.919 31.216 30.300 -0.005 0.000 1.096 354 R HN 0.570 nan 8.270 nan 0.000 0.502 355 M N 1.744 121.346 119.600 0.003 0.000 2.243 355 M HA 0.114 4.599 4.480 0.009 0.000 0.341 355 M C -0.080 176.256 176.300 0.061 0.000 1.130 355 M CA 0.873 56.206 55.300 0.057 0.000 1.162 355 M CB 0.698 33.249 32.600 -0.083 0.000 1.497 355 M HN 0.400 nan 8.290 nan 0.000 0.456 356 E N 0.606 120.879 120.200 0.123 0.000 2.299 356 E HA 0.247 4.603 4.350 0.009 0.000 0.265 356 E C -1.200 175.435 176.600 0.057 0.000 0.911 356 E CA -0.891 55.544 56.400 0.058 0.000 0.789 356 E CB 1.914 31.650 29.700 0.060 0.000 1.246 356 E HN 0.560 nan 8.360 nan 0.000 0.427 357 E N 0.289 120.496 120.200 0.012 0.000 2.452 357 E HA 0.049 4.404 4.350 0.009 0.000 0.261 357 E C 0.602 177.256 176.600 0.090 0.000 0.987 357 E CA 1.177 57.592 56.400 0.025 0.000 0.926 357 E CB 0.138 29.840 29.700 0.004 0.000 0.934 357 E HN 0.743 nan 8.360 nan 0.000 0.452 358 G N 3.569 112.450 108.800 0.136 0.000 2.241 358 G HA2 -0.292 3.674 3.960 0.009 0.000 0.244 358 G HA3 -0.292 3.674 3.960 0.009 0.000 0.244 358 G C 0.071 175.086 174.900 0.190 0.000 0.998 358 G CA 0.309 45.544 45.100 0.225 0.000 0.621 358 G HN 0.618 nan 8.290 nan 0.000 0.519 359 E N -0.219 120.053 120.200 0.120 0.000 2.392 359 E HA 0.500 4.855 4.350 0.009 0.000 0.259 359 E C -0.212 176.394 176.600 0.010 0.000 1.108 359 E CA -0.153 56.270 56.400 0.039 0.000 0.916 359 E CB 1.787 31.505 29.700 0.030 0.000 0.989 359 E HN 0.148 nan 8.360 nan 0.000 0.432 360 V N 2.589 122.415 119.914 -0.147 0.000 2.540 360 V HA 0.335 4.460 4.120 0.009 0.000 0.302 360 V C -1.234 174.671 176.094 -0.314 0.000 1.035 360 V CA -0.684 61.517 62.300 -0.165 0.000 0.873 360 V CB 0.814 32.525 31.823 -0.186 0.000 0.992 360 V HN 0.544 nan 8.190 nan 0.000 0.428 361 Y N 1.658 121.892 120.300 -0.111 0.000 2.499 361 Y HA 0.738 5.292 4.550 0.007 0.000 0.347 361 Y C 0.317 176.108 175.900 -0.182 0.000 0.987 361 Y CA -0.782 57.240 58.100 -0.130 0.000 1.044 361 Y CB 2.218 40.620 38.460 -0.096 0.000 1.245 361 Y HN 0.672 nan 8.280 nan 0.000 0.461 362 A N 4.051 126.771 122.820 -0.166 0.000 2.253 362 A HA 0.595 4.920 4.320 0.009 0.000 0.316 362 A C -1.011 176.492 177.584 -0.134 0.000 1.327 362 A CA -0.487 51.408 52.037 -0.237 0.000 0.917 362 A CB -0.257 18.422 19.000 -0.534 0.000 1.162 362 A HN 0.533 nan 8.150 nan 0.000 0.535 363 I N 3.645 124.197 120.570 -0.028 0.000 2.291 363 I HA 0.243 4.418 4.170 0.009 0.000 0.290 363 I C 0.266 176.379 176.117 -0.008 0.000 1.050 363 I CA 0.109 61.404 61.300 -0.007 0.000 1.245 363 I CB 0.135 38.138 38.000 0.005 0.000 1.405 363 I HN 0.839 nan 8.210 nan 0.000 0.478 364 E N 4.320 124.513 120.200 -0.012 0.000 2.288 364 E HA 0.752 5.107 4.350 0.009 0.000 0.268 364 E C -0.763 175.790 176.600 -0.079 0.000 0.885 364 E CA -0.866 55.484 56.400 -0.082 0.000 0.767 364 E CB 2.494 32.132 29.700 -0.104 0.000 1.220 364 E HN 0.458 nan 8.360 nan 0.000 0.427 365 T N -0.546 113.884 114.554 -0.207 0.000 2.906 365 T HA 0.691 5.046 4.350 0.009 0.000 0.295 365 T C -1.092 173.406 174.700 -0.337 0.000 1.075 365 T CA -0.754 61.283 62.100 -0.106 0.000 1.005 365 T CB 0.796 69.651 68.868 -0.021 0.000 1.136 365 T HN 0.389 nan 8.240 nan 0.000 0.498 366 F N 0.100 120.035 119.950 -0.025 0.000 2.547 366 F HA 0.698 5.231 4.527 0.009 0.000 0.316 366 F C 0.649 176.423 175.800 -0.045 0.000 1.121 366 F CA -0.651 57.317 58.000 -0.054 0.000 0.911 366 F CB 2.688 41.640 39.000 -0.080 0.000 1.179 366 F HN 1.065 nan 8.300 nan 0.000 0.443 367 G N 0.702 109.566 108.800 0.107 0.000 2.448 367 G HA2 0.560 4.525 3.960 0.009 0.000 0.324 367 G HA3 0.560 4.525 3.960 0.009 0.000 0.324 367 G C -1.487 173.434 174.900 0.034 0.000 1.203 367 G CA -0.680 44.451 45.100 0.052 0.000 0.954 367 G HN 0.610 nan 8.290 nan 0.000 0.480 368 S N -0.800 114.907 115.700 0.012 0.000 2.569 368 S HA 0.596 5.071 4.470 0.009 0.000 0.280 368 S C 1.037 175.599 174.600 -0.063 0.000 1.111 368 S CA 0.110 58.293 58.200 -0.028 0.000 0.887 368 S CB 1.696 64.872 63.200 -0.039 0.000 1.095 368 S HN 0.999 nan 8.310 nan 0.000 0.476 369 T N 0.652 115.114 114.554 -0.154 0.000 3.107 369 T HA 0.354 4.709 4.350 0.009 0.000 0.249 369 T C 1.054 175.625 174.700 -0.216 0.000 1.096 369 T CA 0.353 62.239 62.100 -0.357 0.000 1.012 369 T CB -0.075 68.260 68.868 -0.888 0.000 0.977 369 T HN 0.615 nan 8.240 nan 0.000 0.527 370 G N 1.356 110.083 108.800 -0.121 0.000 2.975 370 G HA2 0.307 4.272 3.960 0.009 0.000 0.159 370 G HA3 0.307 4.272 3.960 0.009 0.000 0.159 370 G C 0.844 175.738 174.900 -0.009 0.000 1.525 370 G CA -0.579 44.484 45.100 -0.061 0.000 1.075 370 G HN 0.094 nan 8.290 nan 0.000 0.574 371 K N 0.207 120.600 120.400 -0.011 0.000 2.366 371 K HA 0.073 4.398 4.320 0.009 0.000 0.198 371 K C 1.549 178.147 176.600 -0.003 0.000 1.044 371 K CA 0.842 57.130 56.287 0.001 0.000 0.973 371 K CB 0.038 32.538 32.500 0.001 0.000 0.767 371 K HN 0.922 nan 8.250 nan 0.000 0.475 372 G N 1.124 109.913 108.800 -0.018 0.000 2.160 372 G HA2 -0.216 3.749 3.960 0.009 0.000 0.244 372 G HA3 -0.216 3.749 3.960 0.009 0.000 0.244 372 G C -0.168 174.713 174.900 -0.033 0.000 1.022 372 G CA 0.275 45.364 45.100 -0.019 0.000 0.741 372 G HN 0.109 nan 8.290 nan 0.000 0.508 373 V N -0.374 119.515 119.914 -0.043 0.000 2.808 373 V HA 0.734 4.859 4.120 0.009 0.000 0.308 373 V C 0.408 176.462 176.094 -0.067 0.000 1.099 373 V CA -0.460 61.811 62.300 -0.048 0.000 0.920 373 V CB 2.103 33.915 31.823 -0.018 0.000 1.014 373 V HN 1.077 nan 8.190 nan 0.000 0.425 374 V N 1.039 120.883 119.914 -0.117 0.000 2.732 374 V HA 0.797 4.922 4.120 0.009 0.000 0.310 374 V C -0.508 175.523 176.094 -0.105 0.000 1.053 374 V CA -0.394 61.795 62.300 -0.186 0.000 0.957 374 V CB 1.814 33.455 31.823 -0.303 0.000 1.018 374 V HN 1.097 nan 8.190 nan 0.000 0.452 375 H N -0.536 118.459 119.070 -0.126 0.000 2.821 375 H HA 0.568 5.129 4.556 0.009 0.000 0.373 375 H C -1.517 173.747 175.328 -0.107 0.000 1.165 375 H CA -0.878 55.107 56.048 -0.105 0.000 1.154 375 H CB 1.850 31.561 29.762 -0.085 0.000 1.765 375 H HN 0.628 nan 8.280 nan 0.000 0.549 376 D N 1.430 121.832 120.400 0.004 0.000 2.458 376 D HA 0.239 4.884 4.640 0.009 0.000 0.243 376 D C -0.313 176.006 176.300 0.033 0.000 1.146 376 D CA 0.992 54.968 54.000 -0.040 0.000 0.877 376 D CB 0.856 41.638 40.800 -0.030 0.000 1.176 376 D HN 0.560 nan 8.370 nan 0.000 0.461 377 D N 0.816 121.190 120.400 -0.044 0.000 2.717 377 D HA 0.427 5.072 4.640 0.009 0.000 0.223 377 D C -0.304 175.985 176.300 -0.019 0.000 1.240 377 D CA -0.366 53.636 54.000 0.003 0.000 0.801 377 D CB 0.872 41.665 40.800 -0.011 0.000 1.556 377 D HN 0.353 nan 8.370 nan 0.000 0.462 378 M N -0.676 118.927 119.600 0.005 0.000 7.319 378 M HA -0.187 4.298 4.480 0.009 0.000 0.115 378 M C -0.216 176.102 176.300 0.031 0.000 0.480 378 M CA 0.362 55.670 55.300 0.014 0.000 1.311 378 M CB -0.848 31.755 32.600 0.004 0.000 0.421 378 M HN 0.515 nan 8.290 nan 0.000 0.504 379 E N 0.271 120.505 120.200 0.058 0.000 2.392 379 E HA 0.250 4.606 4.350 0.009 0.000 0.264 379 E C -0.735 175.903 176.600 0.064 0.000 1.024 379 E CA -0.320 56.121 56.400 0.068 0.000 0.903 379 E CB 1.169 30.923 29.700 0.090 0.000 0.963 379 E HN 0.489 nan 8.360 nan 0.000 0.432 380 C N 3.232 122.558 119.300 0.043 0.000 2.536 380 C HA 0.263 4.728 4.460 0.009 0.000 0.396 380 C C 1.479 176.480 174.990 0.018 0.000 1.279 380 C CA 0.315 59.312 59.018 -0.034 0.000 2.148 380 C CB -0.223 27.444 27.740 -0.121 0.000 2.584 380 C HN 0.802 nan 8.230 nan 0.000 0.579 381 S N 2.214 117.889 115.700 -0.042 0.000 2.663 381 S HA 0.220 4.695 4.470 0.009 0.000 0.247 381 S C -0.066 174.490 174.600 -0.073 0.000 1.074 381 S CA -0.054 58.176 58.200 0.050 0.000 0.955 381 S CB -0.249 62.968 63.200 0.029 0.000 0.901 381 S HN 0.852 nan 8.310 nan 0.000 0.505 382 H N 0.742 119.524 119.070 -0.480 0.000 2.473 382 H HA 0.731 5.292 4.556 0.008 0.000 0.327 382 H C -1.313 173.497 175.328 -0.864 0.000 1.105 382 H CA -0.389 55.336 56.048 -0.539 0.000 1.280 382 H CB 0.502 30.000 29.762 -0.441 0.000 1.450 382 H HN 0.332 nan 8.280 nan 0.000 0.492 383 Y N 0.978 120.983 120.300 -0.491 0.000 2.562 383 Y HA 0.458 5.013 4.550 0.009 0.000 0.345 383 Y C -0.434 175.088 175.900 -0.630 0.000 1.045 383 Y CA -0.974 56.812 58.100 -0.524 0.000 1.028 383 Y CB 2.137 40.106 38.460 -0.818 0.000 1.297 383 Y HN 0.453 nan 8.280 nan 0.000 0.463 384 M N 2.341 121.962 119.600 0.035 0.000 2.325 384 M HA 0.316 4.801 4.480 0.009 0.000 0.285 384 M C -1.622 174.860 176.300 0.303 0.000 1.119 384 M CA -0.667 54.727 55.300 0.158 0.000 0.959 384 M CB 1.890 34.534 32.600 0.074 0.000 1.737 384 M HN 0.726 nan 8.290 nan 0.000 0.486 385 K N 2.739 123.346 120.400 0.344 0.000 2.436 385 K HA 0.057 4.382 4.320 0.009 0.000 0.275 385 K C -0.179 176.563 176.600 0.236 0.000 0.999 385 K CA -0.029 56.420 56.287 0.269 0.000 0.980 385 K CB 0.499 33.141 32.500 0.237 0.000 0.919 385 K HN 0.696 nan 8.250 nan 0.000 0.484 386 N N 4.309 123.123 118.700 0.190 0.000 2.452 386 N HA -0.089 4.656 4.740 0.009 0.000 0.266 386 N C 0.539 176.169 175.510 0.201 0.000 1.209 386 N CA 0.308 53.473 53.050 0.191 0.000 0.929 386 N CB 0.191 38.758 38.487 0.133 0.000 1.063 386 N HN 0.614 nan 8.380 nan 0.000 0.472 387 F N 3.401 123.414 119.950 0.104 0.000 2.202 387 F HA -0.166 4.367 4.527 0.009 0.000 0.301 387 F C 1.466 177.310 175.800 0.073 0.000 1.082 387 F CA 1.453 59.508 58.000 0.091 0.000 1.313 387 F CB 0.387 39.443 39.000 0.094 0.000 1.024 387 F HN 0.530 nan 8.300 nan 0.000 0.495 388 D N -0.315 120.231 120.400 0.243 0.000 2.333 388 D HA 0.033 4.679 4.640 0.009 0.000 0.208 388 D C 0.466 176.803 176.300 0.062 0.000 0.984 388 D CA 0.396 54.488 54.000 0.154 0.000 0.873 388 D CB 0.016 40.913 40.800 0.161 0.000 0.935 388 D HN -0.027 nan 8.370 nan 0.000 0.521 389 V N 1.424 121.368 119.914 0.050 0.000 2.521 389 V HA 0.339 4.465 4.120 0.009 0.000 0.286 389 V C 1.319 177.413 176.094 -0.001 0.000 1.034 389 V CA -0.201 62.116 62.300 0.027 0.000 1.045 389 V CB 1.107 32.951 31.823 0.035 0.000 0.974 389 V HN 0.019 nan 8.190 nan 0.000 0.480 390 G N 2.717 111.521 108.800 0.007 0.000 2.531 390 G HA2 0.246 4.211 3.960 0.009 0.000 0.253 390 G HA3 0.246 4.211 3.960 0.009 0.000 0.253 390 G C -0.279 174.644 174.900 0.039 0.000 1.439 390 G CA -0.535 44.574 45.100 0.016 0.000 1.056 390 G HN 0.854 nan 8.290 nan 0.000 0.555 391 H N -1.489 117.565 119.070 -0.026 0.000 2.848 391 H HA 0.387 4.948 4.556 0.009 0.000 0.341 391 H C -0.615 174.707 175.328 -0.010 0.000 1.060 391 H CA 0.174 56.209 56.048 -0.022 0.000 1.444 391 H CB 0.651 30.398 29.762 -0.024 0.000 1.446 391 H HN 0.112 nan 8.280 nan 0.000 0.583 392 V N 8.458 128.006 119.914 -0.610 0.000 2.447 392 V HA 0.267 4.392 4.120 0.009 0.000 0.292 392 V C -2.206 173.548 176.094 -0.566 0.000 1.021 392 V CA -1.695 60.330 62.300 -0.458 0.000 0.850 392 V CB 1.411 33.120 31.823 -0.191 0.000 1.005 392 V HN 0.855 nan 8.190 nan 0.000 0.426 393 P HA 0.385 nan 4.420 nan 0.000 0.271 393 P C -0.741 176.493 177.300 -0.110 0.000 1.220 393 P CA 0.213 63.183 63.100 -0.215 0.000 0.768 393 P CB 0.622 32.286 31.700 -0.061 0.000 0.848 394 I N 3.684 124.218 120.570 -0.059 0.000 2.499 394 I HA 0.332 4.507 4.170 0.009 0.000 0.288 394 I C 1.182 177.299 176.117 -0.000 0.000 1.048 394 I CA -0.730 60.553 61.300 -0.027 0.000 1.062 394 I CB 2.620 40.607 38.000 -0.022 0.000 1.238 394 I HN 0.237 nan 8.210 nan 0.000 0.426 395 R N 3.845 124.347 120.500 0.003 0.000 2.175 395 R HA 0.307 4.652 4.340 0.009 0.000 0.202 395 R C 0.143 176.452 176.300 0.015 0.000 1.018 395 R CA 0.006 56.112 56.100 0.011 0.000 1.029 395 R CB 0.150 30.455 30.300 0.008 0.000 0.959 395 R HN 0.450 nan 8.270 nan 0.000 0.480 396 L N 3.970 125.202 121.223 0.014 0.000 2.660 396 L HA -0.023 4.322 4.340 0.009 0.000 0.272 396 L C -1.377 175.511 176.870 0.029 0.000 1.194 396 L CA -1.012 53.840 54.840 0.019 0.000 0.945 396 L CB 0.181 42.252 42.059 0.020 0.000 1.212 396 L HN -0.004 nan 8.230 nan 0.000 0.490 397 P HA -0.163 nan 4.420 nan 0.000 0.215 397 P C 1.303 178.641 177.300 0.063 0.000 1.157 397 P CA 1.491 64.613 63.100 0.037 0.000 0.868 397 P CB 0.120 31.831 31.700 0.017 0.000 0.788 398 R N -0.751 119.783 120.500 0.058 0.000 2.092 398 R HA -0.025 4.321 4.340 0.009 0.000 0.231 398 R C 2.456 178.825 176.300 0.115 0.000 1.119 398 R CA 1.772 57.927 56.100 0.090 0.000 0.970 398 R CB -1.207 29.135 30.300 0.069 0.000 0.864 398 R HN 0.218 nan 8.270 nan 0.000 0.440 399 T N 1.139 115.739 114.554 0.076 0.000 2.777 399 T HA -0.137 4.218 4.350 0.009 0.000 0.266 399 T C 1.706 176.437 174.700 0.051 0.000 1.040 399 T CA 1.152 63.288 62.100 0.061 0.000 1.141 399 T CB -0.038 68.855 68.868 0.041 0.000 0.868 399 T HN 0.262 nan 8.240 nan 0.000 0.444 400 K N 0.310 120.743 120.400 0.055 0.000 2.026 400 K HA -0.237 4.089 4.320 0.009 0.000 0.208 400 K C 2.302 178.936 176.600 0.057 0.000 1.048 400 K CA 1.800 58.115 56.287 0.045 0.000 0.929 400 K CB -0.256 32.274 32.500 0.050 0.000 0.713 400 K HN 0.418 nan 8.250 nan 0.000 0.439 401 H N 0.393 119.464 119.070 0.002 0.000 2.353 401 H HA -0.133 4.429 4.556 0.009 0.000 0.300 401 H C 1.915 177.233 175.328 -0.015 0.000 1.090 401 H CA 1.812 57.857 56.048 -0.005 0.000 1.327 401 H CB -0.171 29.592 29.762 0.002 0.000 1.383 401 H HN 0.214 nan 8.280 nan 0.000 0.508 402 L N -0.201 120.998 121.223 -0.040 0.000 2.046 402 L HA -0.065 4.281 4.340 0.009 0.000 0.208 402 L C 2.224 179.005 176.870 -0.148 0.000 1.077 402 L CA 1.408 56.176 54.840 -0.120 0.000 0.747 402 L CB -0.920 41.146 42.059 0.011 0.000 0.896 402 L HN 0.439 nan 8.230 nan 0.000 0.432 403 L N -0.038 121.139 121.223 -0.077 0.000 2.046 403 L HA -0.207 4.138 4.340 0.009 0.000 0.208 403 L C 2.217 179.025 176.870 -0.104 0.000 1.077 403 L CA 1.704 56.507 54.840 -0.061 0.000 0.747 403 L CB -1.127 40.919 42.059 -0.022 0.000 0.896 403 L HN 0.359 nan 8.230 nan 0.000 0.432 404 N N -0.524 118.097 118.700 -0.131 0.000 2.084 404 N HA -0.158 4.588 4.740 0.009 0.000 0.190 404 N C 1.930 177.303 175.510 -0.227 0.000 1.030 404 N CA 1.731 54.692 53.050 -0.149 0.000 0.849 404 N CB -0.613 37.799 38.487 -0.125 0.000 1.012 404 N HN 0.280 nan 8.380 nan 0.000 0.423 405 V N 1.739 121.449 119.914 -0.339 0.000 2.287 405 V HA -0.197 3.928 4.120 0.009 0.000 0.248 405 V C 2.257 178.139 176.094 -0.354 0.000 1.053 405 V CA 1.283 63.364 62.300 -0.366 0.000 1.027 405 V CB -0.420 31.155 31.823 -0.413 0.000 0.646 405 V HN 0.233 nan 8.190 nan 0.000 0.447 406 I N 0.232 120.637 120.570 -0.275 0.000 2.179 406 I HA -0.221 3.954 4.170 0.009 0.000 0.242 406 I C 2.398 178.423 176.117 -0.152 0.000 1.088 406 I CA 1.488 62.666 61.300 -0.202 0.000 1.357 406 I CB -0.558 37.344 38.000 -0.164 0.000 1.051 406 I HN 0.343 nan 8.210 nan 0.000 0.409 407 N N 0.841 119.465 118.700 -0.126 0.000 2.104 407 N HA -0.190 4.555 4.740 0.009 0.000 0.190 407 N C 1.749 177.165 175.510 -0.157 0.000 1.024 407 N CA 1.400 54.388 53.050 -0.103 0.000 0.853 407 N CB -0.260 38.181 38.487 -0.078 0.000 1.008 407 N HN 0.468 nan 8.380 nan 0.000 0.424 408 E N 0.186 120.262 120.200 -0.207 0.000 2.072 408 E HA -0.002 4.353 4.350 0.009 0.000 0.191 408 E C 1.279 177.702 176.600 -0.295 0.000 0.985 408 E CA 0.692 56.960 56.400 -0.220 0.000 0.801 408 E CB 0.038 29.610 29.700 -0.213 0.000 0.750 408 E HN 0.405 nan 8.360 nan 0.000 0.452 409 N N -0.848 117.556 118.700 -0.494 0.000 2.415 409 N HA 0.048 4.793 4.740 0.009 0.000 0.174 409 N C 1.117 176.178 175.510 -0.749 0.000 1.048 409 N CA 0.712 53.307 53.050 -0.759 0.000 0.895 409 N CB 0.398 38.127 38.487 -1.263 0.000 1.036 409 N HN 0.134 nan 8.380 nan 0.000 0.449 410 F N -0.040 119.873 119.950 -0.062 0.000 2.747 410 F HA 0.301 4.833 4.527 0.008 0.000 0.305 410 F C 1.818 177.637 175.800 0.032 0.000 1.065 410 F CA 0.042 58.065 58.000 0.039 0.000 1.230 410 F CB 0.151 39.207 39.000 0.094 0.000 1.027 410 F HN -0.045 nan 8.300 nan 0.000 0.607 411 G N 1.721 110.576 108.800 0.091 0.000 2.622 411 G HA2 -0.431 3.534 3.960 0.009 0.000 0.307 411 G HA3 -0.431 3.534 3.960 0.009 0.000 0.307 411 G C 1.014 175.990 174.900 0.128 0.000 1.226 411 G CA 1.112 46.220 45.100 0.013 0.000 0.997 411 G HN 0.409 nan 8.290 nan 0.000 0.551 412 T N -0.245 114.382 114.554 0.122 0.000 3.144 412 T HA 0.582 4.937 4.350 0.009 0.000 0.249 412 T C 1.150 176.032 174.700 0.304 0.000 1.089 412 T CA 0.464 62.703 62.100 0.231 0.000 0.989 412 T CB -0.086 68.947 68.868 0.275 0.000 0.992 412 T HN 0.536 nan 8.240 nan 0.000 0.540 413 L N 1.855 123.267 121.223 0.316 0.000 2.417 413 L HA 0.589 4.934 4.340 0.009 0.000 0.268 413 L C 0.994 178.066 176.870 0.336 0.000 1.158 413 L CA -1.034 53.998 54.840 0.319 0.000 0.819 413 L CB 0.407 42.665 42.059 0.332 0.000 1.112 413 L HN 0.223 nan 8.230 nan 0.000 0.458 414 A N 2.936 125.890 122.820 0.224 0.000 2.425 414 A HA 0.529 4.854 4.320 0.009 0.000 0.242 414 A C -0.543 177.083 177.584 0.070 0.000 1.077 414 A CA 0.006 52.078 52.037 0.059 0.000 0.781 414 A CB 0.096 19.038 19.000 -0.096 0.000 1.020 414 A HN 0.593 nan 8.150 nan 0.000 0.494 415 F N -0.534 119.239 119.950 -0.295 0.000 2.692 415 F HA 0.719 5.251 4.527 0.008 0.000 0.320 415 F C -0.221 175.240 175.800 -0.565 0.000 1.123 415 F CA -1.247 56.402 58.000 -0.584 0.000 0.961 415 F CB 0.596 38.801 39.000 -1.325 0.000 1.383 415 F HN 0.828 nan 8.300 nan 0.000 0.483 416 C N -0.259 118.709 119.300 -0.554 0.000 3.044 416 C HA 0.605 5.071 4.460 0.009 0.000 0.315 416 C C 1.319 176.279 174.990 -0.051 0.000 1.320 416 C CA -0.869 57.889 59.018 -0.434 0.000 1.582 416 C CB 2.023 29.296 27.740 -0.778 0.000 2.039 416 C HN 1.066 nan 8.230 nan 0.000 0.466 417 R N 0.100 120.637 120.500 0.061 0.000 2.096 417 R HA -0.075 4.270 4.340 0.009 0.000 0.235 417 R C 2.326 178.716 176.300 0.150 0.000 1.127 417 R CA 1.589 57.784 56.100 0.158 0.000 0.968 417 R CB -0.256 30.208 30.300 0.273 0.000 0.861 417 R HN 0.716 nan 8.270 nan 0.000 0.440 418 R N -0.436 120.112 120.500 0.081 0.000 2.127 418 R HA -0.161 4.185 4.340 0.009 0.000 0.238 418 R C 1.694 178.197 176.300 0.339 0.000 1.134 418 R CA 1.239 57.438 56.100 0.165 0.000 0.975 418 R CB -0.100 30.268 30.300 0.113 0.000 0.865 418 R HN 0.301 nan 8.270 nan 0.000 0.447 419 W N 0.479 121.829 121.300 0.084 0.000 2.467 419 W HA 0.038 4.703 4.660 0.008 0.000 0.275 419 W C 1.717 178.318 176.519 0.137 0.000 1.239 419 W CA 0.359 57.785 57.345 0.134 0.000 1.266 419 W CB -0.524 29.033 29.460 0.161 0.000 1.112 419 W HN 0.073 nan 8.180 nan 0.000 0.576 420 L N -0.322 121.045 121.223 0.240 0.000 2.095 420 L HA -0.144 4.202 4.340 0.009 0.000 0.204 420 L C 2.130 179.018 176.870 0.030 0.000 1.080 420 L CA 1.081 55.909 54.840 -0.020 0.000 0.759 420 L CB -0.753 41.000 42.059 -0.510 0.000 0.914 420 L HN -0.197 nan 8.230 nan 0.000 0.439 421 D N 0.209 120.689 120.400 0.134 0.000 2.104 421 D HA -0.237 4.409 4.640 0.009 0.000 0.194 421 D C 2.152 178.539 176.300 0.145 0.000 0.994 421 D CA 1.206 55.322 54.000 0.195 0.000 0.830 421 D CB -0.232 40.696 40.800 0.213 0.000 0.959 421 D HN 0.190 nan 8.370 nan 0.000 0.452 422 R N 0.475 121.067 120.500 0.153 0.000 2.127 422 R HA -0.055 4.291 4.340 0.009 0.000 0.238 422 R C 1.970 178.311 176.300 0.067 0.000 1.134 422 R CA 0.678 56.844 56.100 0.110 0.000 0.975 422 R CB -0.212 30.163 30.300 0.124 0.000 0.865 422 R HN 0.195 nan 8.270 nan 0.000 0.447 423 L N -0.127 121.135 121.223 0.065 0.000 2.627 423 L HA 0.164 4.509 4.340 0.009 0.000 0.233 423 L C 1.089 177.981 176.870 0.037 0.000 1.144 423 L CA 0.547 55.400 54.840 0.021 0.000 0.892 423 L CB 0.248 42.299 42.059 -0.014 0.000 1.039 423 L HN 0.602 nan 8.230 nan 0.000 0.442 424 G N -0.529 108.310 108.800 0.065 0.000 2.143 424 G HA2 -0.217 3.748 3.960 0.009 0.000 0.249 424 G HA3 -0.217 3.748 3.960 0.009 0.000 0.249 424 G C 0.140 175.104 174.900 0.108 0.000 0.981 424 G CA -0.241 44.905 45.100 0.076 0.000 0.665 424 G HN 0.318 nan 8.290 nan 0.000 0.528 425 E N 0.731 121.007 120.200 0.126 0.000 2.366 425 E HA 0.575 4.930 4.350 0.009 0.000 0.266 425 E C 0.555 177.357 176.600 0.335 0.000 1.051 425 E CA 0.657 57.174 56.400 0.194 0.000 0.884 425 E CB 1.616 31.372 29.700 0.093 0.000 1.006 425 E HN 0.838 nan 8.360 nan 0.000 0.417 426 S N 0.297 116.196 115.700 0.331 0.000 2.607 426 S HA 0.437 4.912 4.470 0.009 0.000 0.273 426 S C -0.707 173.970 174.600 0.128 0.000 1.148 426 S CA -1.094 57.246 58.200 0.234 0.000 0.833 426 S CB 1.519 64.785 63.200 0.111 0.000 1.130 426 S HN 0.474 nan 8.310 nan 0.000 0.470 427 K N 0.223 120.580 120.400 -0.070 0.000 3.148 427 K HA -0.221 4.104 4.320 0.009 0.000 0.267 427 K C -0.280 176.312 176.600 -0.013 0.000 0.996 427 K CA 1.286 57.525 56.287 -0.079 0.000 0.737 427 K CB -2.289 30.206 32.500 -0.008 0.000 1.308 427 K HN 0.852 nan 8.250 nan 0.000 0.470 428 Y N -3.450 116.873 120.300 0.038 0.000 2.445 428 Y HA 0.321 4.877 4.550 0.009 0.000 0.247 428 Y C 1.360 177.268 175.900 0.014 0.000 1.129 428 Y CA -0.605 57.517 58.100 0.036 0.000 1.251 428 Y CB -0.074 38.415 38.460 0.048 0.000 1.176 428 Y HN 0.064 nan 8.280 nan 0.000 0.522 429 L N -0.137 120.967 121.223 -0.197 0.000 2.042 429 L HA -0.202 4.143 4.340 0.009 0.000 0.210 429 L C 2.481 179.361 176.870 0.017 0.000 1.076 429 L CA 2.015 56.818 54.840 -0.062 0.000 0.749 429 L CB -0.346 41.632 42.059 -0.136 0.000 0.893 429 L HN 0.376 nan 8.230 nan 0.000 0.432 430 M N -0.126 119.477 119.600 0.006 0.000 2.175 430 M HA -0.092 4.393 4.480 0.009 0.000 0.264 430 M C 2.270 178.598 176.300 0.046 0.000 1.063 430 M CA 1.933 57.247 55.300 0.024 0.000 1.119 430 M CB -0.446 32.163 32.600 0.014 0.000 1.377 430 M HN 0.177 nan 8.290 nan 0.000 0.415 431 A N -0.214 122.647 122.820 0.069 0.000 1.902 431 A HA -0.143 4.182 4.320 0.009 0.000 0.217 431 A C 2.106 179.734 177.584 0.074 0.000 1.181 431 A CA 1.753 53.837 52.037 0.078 0.000 0.623 431 A CB -1.142 17.923 19.000 0.109 0.000 0.818 431 A HN 0.536 nan 8.150 nan 0.000 0.443 432 L N 0.018 121.295 121.223 0.090 0.000 2.046 432 L HA -0.127 4.218 4.340 0.009 0.000 0.208 432 L C 2.307 179.199 176.870 0.037 0.000 1.077 432 L CA 2.614 57.478 54.840 0.040 0.000 0.747 432 L CB -0.627 41.424 42.059 -0.014 0.000 0.896 432 L HN 0.494 nan 8.230 nan 0.000 0.432 433 K N -0.813 119.616 120.400 0.048 0.000 2.063 433 K HA -0.209 4.116 4.320 0.009 0.000 0.208 433 K C 1.935 178.566 176.600 0.051 0.000 1.048 433 K CA 1.593 57.915 56.287 0.058 0.000 0.928 433 K CB -0.092 32.438 32.500 0.049 0.000 0.713 433 K HN 0.363 nan 8.250 nan 0.000 0.442 434 N N 1.088 119.814 118.700 0.044 0.000 2.061 434 N HA -0.188 4.557 4.740 0.009 0.000 0.193 434 N C 1.846 177.381 175.510 0.041 0.000 1.030 434 N CA 1.414 54.487 53.050 0.037 0.000 0.856 434 N CB -0.384 38.123 38.487 0.034 0.000 1.023 434 N HN 0.211 nan 8.380 nan 0.000 0.424 435 L N 0.087 121.341 121.223 0.051 0.000 2.083 435 L HA -0.180 4.165 4.340 0.009 0.000 0.209 435 L C 2.419 179.331 176.870 0.069 0.000 1.083 435 L CA 0.821 55.697 54.840 0.059 0.000 0.752 435 L CB -0.465 41.640 42.059 0.076 0.000 0.899 435 L HN 0.234 nan 8.230 nan 0.000 0.433 436 C N -0.234 119.114 119.300 0.079 0.000 2.453 436 C HA -0.137 4.328 4.460 0.009 0.000 0.277 436 C C 2.411 177.428 174.990 0.046 0.000 1.262 436 C CA 0.441 59.507 59.018 0.079 0.000 1.718 436 C CB -0.748 27.056 27.740 0.107 0.000 2.031 436 C HN 0.540 nan 8.230 nan 0.000 0.480 437 D N 0.879 121.302 120.400 0.039 0.000 2.178 437 D HA -0.065 4.580 4.640 0.009 0.000 0.201 437 D C 1.862 178.174 176.300 0.020 0.000 0.980 437 D CA 0.980 54.995 54.000 0.024 0.000 0.842 437 D CB -0.374 40.439 40.800 0.022 0.000 0.948 437 D HN 0.465 nan 8.370 nan 0.000 0.472 438 L N -0.519 120.718 121.223 0.024 0.000 2.552 438 L HA 0.091 4.436 4.340 0.009 0.000 0.227 438 L C 1.618 178.500 176.870 0.020 0.000 1.146 438 L CA 0.531 55.382 54.840 0.018 0.000 0.858 438 L CB -0.137 41.931 42.059 0.015 0.000 0.969 438 L HN 0.134 nan 8.230 nan 0.000 0.451 439 G N -0.005 108.812 108.800 0.028 0.000 2.162 439 G HA2 -0.315 3.651 3.960 0.009 0.000 0.260 439 G HA3 -0.315 3.651 3.960 0.009 0.000 0.260 439 G C 0.819 175.747 174.900 0.045 0.000 0.976 439 G CA 0.567 45.685 45.100 0.030 0.000 0.655 439 G HN 0.377 nan 8.290 nan 0.000 0.533 440 I N -0.545 120.056 120.570 0.051 0.000 2.333 440 I HA 0.071 4.246 4.170 0.009 0.000 0.246 440 I C 1.142 177.322 176.117 0.105 0.000 1.106 440 I CA 0.978 62.316 61.300 0.063 0.000 1.411 440 I CB -0.000 38.028 38.000 0.047 0.000 1.082 440 I HN 0.099 nan 8.210 nan 0.000 0.420 441 V N 1.039 121.026 119.914 0.122 0.000 2.715 441 V HA 0.317 4.443 4.120 0.009 0.000 0.310 441 V C -0.979 175.196 176.094 0.136 0.000 1.054 441 V CA -0.797 61.609 62.300 0.178 0.000 0.928 441 V CB 2.079 34.043 31.823 0.235 0.000 1.007 441 V HN 0.057 nan 8.190 nan 0.000 0.437 442 D N 4.419 124.901 120.400 0.138 0.000 2.362 442 D HA 0.450 5.095 4.640 0.009 0.000 0.247 442 D C -2.718 173.512 176.300 -0.116 0.000 1.050 442 D CA -1.209 52.770 54.000 -0.035 0.000 0.839 442 D CB 2.629 43.341 40.800 -0.146 0.000 1.283 442 D HN 0.287 nan 8.370 nan 0.000 0.477 443 P HA 0.249 nan 4.420 nan 0.000 0.282 443 P C -1.079 175.842 177.300 -0.632 0.000 1.249 443 P CA -0.409 62.473 63.100 -0.363 0.000 0.806 443 P CB 0.679 32.262 31.700 -0.195 0.000 0.984 444 Y N 2.400 122.453 120.300 -0.413 0.000 2.662 444 Y HA 0.280 4.835 4.550 0.009 0.000 0.358 444 Y C -1.959 173.761 175.900 -0.300 0.000 1.041 444 Y CA -2.183 55.726 58.100 -0.318 0.000 1.184 444 Y CB 1.109 39.316 38.460 -0.421 0.000 1.114 444 Y HN 0.283 nan 8.280 nan 0.000 0.650 445 P HA 0.139 nan 4.420 nan 0.000 0.272 445 P C -2.679 174.577 177.300 -0.073 0.000 1.230 445 P CA -1.696 61.333 63.100 -0.119 0.000 0.788 445 P CB 0.584 32.221 31.700 -0.105 0.000 0.949 446 P HA 0.079 nan 4.420 nan 0.000 0.265 446 P C -0.566 176.635 177.300 -0.165 0.000 1.187 446 P CA 0.771 63.822 63.100 -0.082 0.000 0.766 446 P CB 0.169 31.857 31.700 -0.019 0.000 0.820 447 L N 3.859 124.931 121.223 -0.253 0.000 2.294 447 L HA 0.432 4.777 4.340 0.009 0.000 0.283 447 L C -0.484 176.155 176.870 -0.384 0.000 1.015 447 L CA -0.471 54.165 54.840 -0.340 0.000 0.831 447 L CB 0.916 42.728 42.059 -0.411 0.000 1.217 447 L HN 0.389 nan 8.230 nan 0.000 0.420 448 c N 0.938 119.242 118.600 -0.494 0.000 2.634 448 c HA 0.480 5.055 4.570 0.009 0.000 0.313 448 c C 0.244 174.018 174.090 -0.526 0.000 1.198 448 c CA -0.916 55.130 56.329 -0.471 0.000 1.605 448 c CB 2.030 44.291 42.510 -0.415 0.000 2.196 448 c HN 0.673 nan 8.230 nan 0.000 0.486 449 D N 0.435 120.668 120.400 -0.279 0.000 2.478 449 D HA 0.386 5.031 4.640 0.009 0.000 0.274 449 D C 0.190 176.473 176.300 -0.028 0.000 1.234 449 D CA -0.351 53.567 54.000 -0.136 0.000 1.069 449 D CB 0.717 41.445 40.800 -0.120 0.000 1.113 449 D HN 0.640 nan 8.370 nan 0.000 0.571 450 I N -1.404 119.177 120.570 0.019 0.000 2.892 450 I HA 0.082 4.257 4.170 0.009 0.000 0.287 450 I C 0.715 176.809 176.117 -0.039 0.000 1.205 450 I CA -0.512 60.805 61.300 0.030 0.000 1.409 450 I CB 0.316 38.314 38.000 -0.004 0.000 1.367 450 I HN 0.143 nan 8.210 nan 0.000 0.597 451 K N 3.706 124.090 120.400 -0.027 0.000 2.489 451 K HA 0.132 4.457 4.320 0.009 0.000 0.278 451 K C 1.065 177.602 176.600 -0.105 0.000 1.000 451 K CA 1.017 57.267 56.287 -0.062 0.000 1.012 451 K CB 0.137 32.615 32.500 -0.037 0.000 0.903 451 K HN 1.100 nan 8.250 nan 0.000 0.485 452 G N 1.985 110.688 108.800 -0.161 0.000 2.253 452 G HA2 -0.321 3.644 3.960 0.009 0.000 0.251 452 G HA3 -0.321 3.644 3.960 0.009 0.000 0.251 452 G C 0.069 174.685 174.900 -0.473 0.000 0.998 452 G CA 0.479 45.438 45.100 -0.235 0.000 0.621 452 G HN 0.914 nan 8.290 nan 0.000 0.524 453 S N -0.389 115.066 115.700 -0.407 0.000 2.632 453 S HA 0.732 5.207 4.470 0.009 0.000 0.267 453 S C -0.336 173.880 174.600 -0.640 0.000 1.276 453 S CA -0.479 57.430 58.200 -0.485 0.000 0.998 453 S CB 1.288 64.341 63.200 -0.246 0.000 0.953 453 S HN 0.537 nan 8.310 nan 0.000 0.547 454 Y N 0.129 120.343 120.300 -0.143 0.000 2.376 454 Y HA 0.560 5.115 4.550 0.009 0.000 0.340 454 Y C 0.628 176.434 175.900 -0.156 0.000 0.965 454 Y CA -0.770 57.242 58.100 -0.147 0.000 1.078 454 Y CB 2.360 40.762 38.460 -0.096 0.000 1.193 454 Y HN 0.935 nan 8.280 nan 0.000 0.452 455 T N -0.191 114.353 114.554 -0.015 0.000 2.893 455 T HA 0.955 5.310 4.350 0.009 0.000 0.291 455 T C -0.707 173.954 174.700 -0.065 0.000 1.028 455 T CA -0.834 61.247 62.100 -0.031 0.000 0.995 455 T CB 1.956 70.802 68.868 -0.036 0.000 1.051 455 T HN 0.839 nan 8.240 nan 0.000 0.470 456 A N 1.534 124.328 122.820 -0.043 0.000 2.515 456 A HA 0.860 5.185 4.320 0.009 0.000 0.296 456 A C -0.968 176.510 177.584 -0.177 0.000 1.094 456 A CA -0.868 51.087 52.037 -0.138 0.000 0.718 456 A CB 2.146 21.077 19.000 -0.116 0.000 1.307 456 A HN 0.993 nan 8.150 nan 0.000 0.408 457 Q N 0.333 119.875 119.800 -0.429 0.000 2.377 457 Q HA 0.697 5.042 4.340 0.009 0.000 0.279 457 Q C -2.309 173.164 176.000 -0.878 0.000 1.049 457 Q CA -0.429 54.977 55.803 -0.661 0.000 0.825 457 Q CB 1.842 30.108 28.738 -0.787 0.000 1.401 457 Q HN 0.637 nan 8.270 nan 0.000 0.404 458 F N 1.137 120.838 119.950 -0.416 0.000 2.574 458 F HA 0.460 4.992 4.527 0.009 0.000 0.313 458 F C -0.480 175.152 175.800 -0.280 0.000 1.130 458 F CA -0.487 57.324 58.000 -0.316 0.000 0.936 458 F CB 2.402 41.260 39.000 -0.237 0.000 1.219 458 F HN 0.564 nan 8.300 nan 0.000 0.445 459 E N 2.378 122.536 120.200 -0.071 0.000 2.343 459 E HA 0.447 4.803 4.350 0.009 0.000 0.278 459 E C -1.869 174.636 176.600 -0.158 0.000 0.910 459 E CA -0.649 55.700 56.400 -0.086 0.000 0.757 459 E CB 1.666 31.310 29.700 -0.092 0.000 1.218 459 E HN 0.633 nan 8.360 nan 0.000 0.435 460 H N 0.871 119.971 119.070 0.051 0.000 2.928 460 H HA 0.406 4.968 4.556 0.010 0.000 0.371 460 H C -0.989 174.306 175.328 -0.055 0.000 1.186 460 H CA -0.571 55.473 56.048 -0.006 0.000 1.134 460 H CB 2.365 32.117 29.762 -0.016 0.000 1.824 460 H HN 0.427 nan 8.280 nan 0.000 0.554 461 T N 3.281 117.883 114.554 0.079 0.000 2.795 461 T HA 0.514 4.869 4.350 0.009 0.000 0.282 461 T C 0.546 175.202 174.700 -0.073 0.000 0.980 461 T CA -0.653 61.436 62.100 -0.018 0.000 1.012 461 T CB 0.350 69.197 68.868 -0.035 0.000 0.936 461 T HN 0.437 nan 8.240 nan 0.000 0.457 462 I N 0.609 121.125 120.570 -0.088 0.000 2.646 462 I HA 0.697 4.872 4.170 0.009 0.000 0.299 462 I C -1.342 174.667 176.117 -0.180 0.000 1.036 462 I CA -1.461 59.761 61.300 -0.129 0.000 1.074 462 I CB 1.692 39.645 38.000 -0.078 0.000 1.258 462 I HN 0.415 nan 8.210 nan 0.000 0.430 463 L N 5.684 126.752 121.223 -0.259 0.000 2.313 463 L HA 0.462 4.807 4.340 0.009 0.000 0.283 463 L C -0.368 176.350 176.870 -0.254 0.000 1.013 463 L CA -0.660 53.978 54.840 -0.335 0.000 0.816 463 L CB 1.776 43.506 42.059 -0.548 0.000 1.236 463 L HN 0.561 nan 8.230 nan 0.000 0.419 464 L N 4.427 125.584 121.223 -0.109 0.000 2.466 464 L HA 0.344 4.689 4.340 0.009 0.000 0.248 464 L C 0.516 177.378 176.870 -0.013 0.000 1.240 464 L CA -0.256 54.617 54.840 0.055 0.000 1.180 464 L CB -0.414 41.738 42.059 0.154 0.000 1.413 464 L HN 0.620 nan 8.230 nan 0.000 0.406 465 R N 1.320 121.687 120.500 -0.222 0.000 2.679 465 R HA 0.108 4.453 4.340 0.009 0.000 0.269 465 R C -1.285 175.033 176.300 0.030 0.000 1.076 465 R CA -1.411 54.510 56.100 -0.297 0.000 1.160 465 R CB 0.316 30.234 30.300 -0.636 0.000 1.054 465 R HN 0.075 nan 8.270 nan 0.000 0.507 466 P HA -0.185 nan 4.420 nan 0.000 0.216 466 P C 1.016 178.390 177.300 0.123 0.000 1.150 466 P CA 1.583 64.747 63.100 0.107 0.000 0.837 466 P CB 0.177 31.948 31.700 0.119 0.000 0.786 467 T N -5.225 109.374 114.554 0.075 0.000 3.037 467 T HA 0.148 4.503 4.350 0.009 0.000 0.251 467 T C 0.828 175.541 174.700 0.022 0.000 1.079 467 T CA 0.429 62.563 62.100 0.056 0.000 1.067 467 T CB -1.093 67.781 68.868 0.009 0.000 0.948 467 T HN 0.296 nan 8.240 nan 0.000 0.496 468 C N -0.500 118.759 119.300 -0.068 0.000 3.249 468 C HA 0.727 5.192 4.460 0.009 0.000 0.350 468 C C -1.493 173.110 174.990 -0.645 0.000 1.431 468 C CA -1.681 57.097 59.018 -0.400 0.000 1.209 468 C CB 1.188 28.747 27.740 -0.301 0.000 1.546 468 C HN 0.485 nan 8.230 nan 0.000 0.450 469 K N 1.028 120.913 120.400 -0.859 0.000 2.293 469 K HA 0.541 4.866 4.320 0.009 0.000 0.267 469 K C -0.644 175.721 176.600 -0.392 0.000 1.010 469 K CA 0.186 56.103 56.287 -0.616 0.000 0.875 469 K CB 0.914 33.028 32.500 -0.643 0.000 1.106 469 K HN 0.827 nan 8.250 nan 0.000 0.450 470 E N 4.151 124.150 120.200 -0.335 0.000 2.145 470 E HA 0.163 4.519 4.350 0.009 0.000 0.270 470 E C -1.030 175.421 176.600 -0.249 0.000 0.906 470 E CA -0.806 55.422 56.400 -0.287 0.000 0.761 470 E CB 1.427 30.942 29.700 -0.307 0.000 1.116 470 E HN 0.383 nan 8.360 nan 0.000 0.408 471 V N 6.531 126.305 119.914 -0.234 0.000 2.153 471 V HA -0.023 4.102 4.120 0.009 0.000 0.250 471 V C 1.372 177.318 176.094 -0.247 0.000 1.334 471 V CA 0.084 62.234 62.300 -0.250 0.000 1.249 471 V CB 0.309 31.953 31.823 -0.298 0.000 1.371 471 V HN 0.690 nan 8.190 nan 0.000 0.498 472 V N 4.155 123.950 119.914 -0.198 0.000 2.453 472 V HA -0.195 3.930 4.120 0.009 0.000 0.252 472 V C 2.240 178.263 176.094 -0.120 0.000 1.068 472 V CA 2.792 65.008 62.300 -0.140 0.000 1.070 472 V CB 0.234 31.991 31.823 -0.111 0.000 0.664 472 V HN 0.952 nan 8.190 nan 0.000 0.461 473 S N -0.679 114.942 115.700 -0.131 0.000 2.575 473 S HA 0.155 4.630 4.470 0.009 0.000 0.215 473 S C 0.975 175.475 174.600 -0.166 0.000 0.966 473 S CA -0.292 57.856 58.200 -0.087 0.000 0.911 473 S CB -0.283 62.910 63.200 -0.013 0.000 0.780 473 S HN 0.561 nan 8.310 nan 0.000 0.514 474 R N 1.899 122.158 120.500 -0.402 0.000 2.640 474 R HA 0.465 4.811 4.340 0.009 0.000 0.270 474 R C 0.489 176.647 176.300 -0.236 0.000 1.024 474 R CA 0.990 56.801 56.100 -0.482 0.000 1.085 474 R CB -0.237 29.807 30.300 -0.427 0.000 0.963 474 R HN 0.366 nan 8.270 nan 0.000 0.426 475 G N 1.180 109.850 108.800 -0.217 0.000 3.105 475 G HA2 0.175 4.140 3.960 0.009 0.000 0.277 475 G HA3 0.175 4.140 3.960 0.009 0.000 0.277 475 G C -0.705 174.134 174.900 -0.101 0.000 1.375 475 G CA -0.105 44.910 45.100 -0.142 0.000 0.962 475 G HN 0.712 nan 8.290 nan 0.000 0.541 476 D N -1.100 119.265 120.400 -0.057 0.000 2.340 476 D HA 0.014 4.659 4.640 0.009 0.000 0.220 476 D C 1.065 177.358 176.300 -0.011 0.000 1.039 476 D CA 1.011 54.993 54.000 -0.030 0.000 0.866 476 D CB 0.156 40.949 40.800 -0.012 0.000 0.913 476 D HN 0.335 nan 8.370 nan 0.000 0.523 477 D N -0.182 120.208 120.400 -0.016 0.000 2.290 477 D HA 0.022 4.668 4.640 0.009 0.000 0.224 477 D C 0.780 177.182 176.300 0.170 0.000 0.967 477 D CA 0.771 54.806 54.000 0.058 0.000 0.893 477 D CB -0.504 40.334 40.800 0.064 0.000 1.037 477 D HN 0.485 nan 8.370 nan 0.000 0.477 478 Y N 0.000 120.327 120.300 0.046 0.000 2.660 478 Y HA 0.000 4.556 4.550 0.009 0.000 0.201 478 Y CA 0.000 58.151 58.100 0.085 0.000 1.940 478 Y CB 0.000 38.512 38.460 0.086 0.000 1.050 478 Y HN 0.000 nan 8.280 nan 0.000 0.758