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 3gp8_1_A DATA FIRST_RESID 153 DATA SEQUENCE QGLERRLLAG LQGLGLTINQ AQRAVKHFGA DALDRLEKDL FTLTEVEGIG DATA SEQUENCE FLTADKLWQA RGGALDDPRR LTAAAVYALQ LAGTQAGHSF LPRSRAEKGV DATA SEQUENCE VHYTRVTPGQ ARLAVETAVE LGRLSEDDSP LFAXEAAATG EGRIYLPHVL DATA SEQUENCE RAEKKLASLI RTLLATPPAD XXXXDDWAVP KKARKGLSEE QASVLDQLAG DATA SEQUENCE HRLVVLTGGP GTGKSTTTKA VADLAESLGL EVGLCAPTGK AARRLGEVTG DATA SEQUENCE RTASTVHRLL GYGPQGFRHN HLEPAPYDLL IVDEVSMMGD ALMLSLLAAV DATA SEQUENCE PPGARVLLVG DTDQLPPVDA GLPLLALAQA APTIKLTQVY RQAAKNPIIQ DATA SEQUENCE AAHGLLHGEA PAWGDKRLNL TEIEPDGGAR RVALMVRELG GPGAVQVLTP DATA SEQUENCE MRKGPLGMDH LNYHLQALFN PGEGGVRIAE GEARPGDTVV QTKNXXXXXI DATA SEQUENCE FNGTLGMVLK AEGARLTVDX XXNVVELTGA ELFNLQLGYA LTVHRAQGSE DATA SEQUENCE WGTVLGVLHE AHMPMLSRNL VYTALTRARD RFFSAGSASA WQIAAARQRE DATA SEQUENCE ARNTALLERI RAHL 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 153 Q HA 0.000 nan 4.340 nan 0.000 0.214 153 Q C 0.000 176.002 176.000 0.004 0.000 1.003 153 Q CA 0.000 55.803 55.803 -0.000 0.000 1.022 153 Q CB 0.000 28.735 28.738 -0.005 0.000 1.108 154 G N 0.794 109.596 108.800 0.003 0.000 2.580 154 G HA2 0.523 4.505 3.960 0.038 0.000 0.278 154 G HA3 0.523 4.505 3.960 0.038 0.000 0.278 154 G C -0.593 174.313 174.900 0.009 0.000 1.212 154 G CA -0.376 44.727 45.100 0.005 0.000 0.939 154 G HN -0.122 nan 8.290 nan 0.000 0.513 155 L N 0.099 121.328 121.223 0.010 0.000 2.312 155 L HA 0.322 4.685 4.340 0.038 0.000 0.281 155 L C 0.447 177.323 176.870 0.010 0.000 1.070 155 L CA -0.792 54.056 54.840 0.013 0.000 0.805 155 L CB 1.459 43.528 42.059 0.016 0.000 1.174 155 L HN 0.707 nan 8.230 nan 0.000 0.434 156 E N 2.869 123.075 120.200 0.011 0.000 2.376 156 E HA 0.017 4.389 4.350 0.038 0.000 0.266 156 E C 1.258 177.862 176.600 0.007 0.000 1.009 156 E CA 0.220 56.624 56.400 0.008 0.000 0.902 156 E CB 0.510 30.215 29.700 0.009 0.000 0.972 156 E HN 0.460 nan 8.360 nan 0.000 0.439 157 R N 3.773 124.276 120.500 0.004 0.000 2.159 157 R HA -0.314 4.048 4.340 0.038 0.000 0.249 157 R C 1.535 177.837 176.300 0.002 0.000 1.136 157 R CA 2.422 58.524 56.100 0.003 0.000 0.951 157 R CB -0.050 30.250 30.300 0.002 0.000 0.876 157 R HN 0.582 nan 8.270 nan 0.000 0.440 158 R N 0.147 120.649 120.500 0.002 0.000 2.153 158 R HA 0.043 4.406 4.340 0.038 0.000 0.218 158 R C 2.234 178.535 176.300 0.001 0.000 1.072 158 R CA 0.856 56.956 56.100 0.001 0.000 0.990 158 R CB -0.320 29.980 30.300 0.000 0.000 0.889 158 R HN 0.309 nan 8.270 nan 0.000 0.452 159 L N 0.428 121.654 121.223 0.005 0.000 2.017 159 L HA -0.168 4.194 4.340 0.038 0.000 0.208 159 L C 2.090 178.964 176.870 0.008 0.000 1.073 159 L CA 1.506 56.350 54.840 0.007 0.000 0.745 159 L CB -0.256 41.811 42.059 0.014 0.000 0.894 159 L HN 0.306 nan 8.230 nan 0.000 0.432 160 L N -0.459 120.769 121.223 0.008 0.000 2.017 160 L HA -0.187 4.175 4.340 0.038 0.000 0.208 160 L C 2.630 179.502 176.870 0.003 0.000 1.073 160 L CA 1.573 56.417 54.840 0.007 0.000 0.745 160 L CB -0.380 41.683 42.059 0.007 0.000 0.894 160 L HN 0.299 nan 8.230 nan 0.000 0.432 161 A N 0.092 122.913 122.820 0.000 0.000 1.883 161 A HA -0.158 4.185 4.320 0.038 0.000 0.217 161 A C 2.299 179.880 177.584 -0.005 0.000 1.186 161 A CA 1.746 53.782 52.037 -0.003 0.000 0.624 161 A CB -1.548 17.450 19.000 -0.003 0.000 0.822 161 A HN 0.572 nan 8.150 nan 0.000 0.444 162 G N -0.256 108.541 108.800 -0.005 0.000 2.421 162 G HA2 -0.155 3.828 3.960 0.038 0.000 0.216 162 G HA3 -0.155 3.828 3.960 0.038 0.000 0.216 162 G C 1.570 176.464 174.900 -0.010 0.000 1.171 162 G CA 1.020 46.115 45.100 -0.009 0.000 0.775 162 G HN 0.430 nan 8.290 nan 0.000 0.543 163 L N -0.084 121.135 121.223 -0.006 0.000 2.042 163 L HA -0.166 4.197 4.340 0.038 0.000 0.210 163 L C 3.170 180.036 176.870 -0.008 0.000 1.076 163 L CA 1.387 56.224 54.840 -0.005 0.000 0.749 163 L CB -0.504 41.560 42.059 0.007 0.000 0.893 163 L HN 0.287 nan 8.230 nan 0.000 0.432 164 Q N -0.308 119.489 119.800 -0.006 0.000 2.170 164 Q HA -0.146 4.216 4.340 0.038 0.000 0.203 164 Q C 2.287 178.280 176.000 -0.013 0.000 0.976 164 Q CA 1.274 57.072 55.803 -0.008 0.000 0.858 164 Q CB -0.425 28.310 28.738 -0.006 0.000 0.907 164 Q HN 0.625 nan 8.270 nan 0.000 0.433 165 G N 0.914 109.706 108.800 -0.013 0.000 2.479 165 G HA2 -0.205 3.778 3.960 0.038 0.000 0.220 165 G HA3 -0.205 3.778 3.960 0.038 0.000 0.220 165 G C 1.224 176.111 174.900 -0.023 0.000 1.115 165 G CA 0.514 45.604 45.100 -0.017 0.000 0.757 165 G HN 0.231 nan 8.290 nan 0.000 0.560 166 L N -0.249 120.960 121.223 -0.024 0.000 2.591 166 L HA 0.292 4.655 4.340 0.038 0.000 0.228 166 L C 1.931 178.782 176.870 -0.033 0.000 1.133 166 L CA 0.472 55.294 54.840 -0.030 0.000 0.880 166 L CB 0.053 42.093 42.059 -0.032 0.000 1.033 166 L HN 0.354 nan 8.230 nan 0.000 0.450 167 G N 0.254 109.038 108.800 -0.026 0.000 2.163 167 G HA2 -0.205 3.777 3.960 0.038 0.000 0.213 167 G HA3 -0.205 3.777 3.960 0.038 0.000 0.213 167 G C 0.096 174.983 174.900 -0.021 0.000 0.991 167 G CA -0.522 44.563 45.100 -0.025 0.000 0.653 167 G HN 0.148 nan 8.290 nan 0.000 0.518 168 L N 2.056 123.269 121.223 -0.018 0.000 2.395 168 L HA 0.519 4.881 4.340 0.038 0.000 0.269 168 L C 1.660 178.527 176.870 -0.005 0.000 1.133 168 L CA -0.059 54.774 54.840 -0.011 0.000 0.812 168 L CB 0.999 43.054 42.059 -0.006 0.000 1.125 168 L HN 0.408 nan 8.230 nan 0.000 0.452 169 T N -1.369 113.184 114.554 -0.002 0.000 2.754 169 T HA 0.262 4.635 4.350 0.038 0.000 0.286 169 T C 1.380 176.081 174.700 0.002 0.000 0.997 169 T CA -0.562 61.538 62.100 0.000 0.000 0.982 169 T CB 0.941 69.810 68.868 0.002 0.000 1.027 169 T HN 0.422 nan 8.240 nan 0.000 0.529 170 I N 1.027 121.598 120.570 0.002 0.000 2.127 170 I HA -0.214 3.979 4.170 0.038 0.000 0.241 170 I C 3.053 179.174 176.117 0.006 0.000 1.075 170 I CA 1.578 62.880 61.300 0.003 0.000 1.334 170 I CB -0.587 37.413 38.000 0.001 0.000 1.040 170 I HN 0.785 nan 8.210 nan 0.000 0.405 171 N N 0.947 119.650 118.700 0.004 0.000 2.061 171 N HA -0.266 4.497 4.740 0.038 0.000 0.193 171 N C 1.896 177.413 175.510 0.012 0.000 1.030 171 N CA 1.894 54.948 53.050 0.006 0.000 0.856 171 N CB -0.046 38.443 38.487 0.003 0.000 1.023 171 N HN 0.498 nan 8.380 nan 0.000 0.424 172 Q N 0.041 119.847 119.800 0.011 0.000 2.084 172 Q HA -0.044 4.318 4.340 0.038 0.000 0.202 172 Q C 2.243 178.259 176.000 0.026 0.000 0.978 172 Q CA 1.525 57.337 55.803 0.015 0.000 0.844 172 Q CB -0.182 28.561 28.738 0.008 0.000 0.898 172 Q HN 0.465 nan 8.270 nan 0.000 0.426 173 A N 1.045 123.879 122.820 0.023 0.000 1.908 173 A HA -0.287 4.056 4.320 0.038 0.000 0.218 173 A C 1.975 179.584 177.584 0.042 0.000 1.181 173 A CA 1.677 53.733 52.037 0.032 0.000 0.627 173 A CB -0.506 18.506 19.000 0.021 0.000 0.818 173 A HN 0.354 nan 8.150 nan 0.000 0.445 174 Q N -0.854 118.964 119.800 0.030 0.000 2.084 174 Q HA -0.157 4.205 4.340 0.038 0.000 0.202 174 Q C 2.402 178.425 176.000 0.039 0.000 0.978 174 Q CA 1.636 57.457 55.803 0.030 0.000 0.844 174 Q CB -0.151 28.598 28.738 0.017 0.000 0.898 174 Q HN 0.645 nan 8.270 nan 0.000 0.426 175 R N 0.186 120.707 120.500 0.035 0.000 2.073 175 R HA -0.124 4.239 4.340 0.038 0.000 0.234 175 R C 2.337 178.673 176.300 0.060 0.000 1.134 175 R CA 1.190 57.312 56.100 0.036 0.000 0.952 175 R CB -0.494 29.819 30.300 0.022 0.000 0.850 175 R HN 0.216 nan 8.270 nan 0.000 0.433 176 A N 0.724 123.598 122.820 0.090 0.000 1.892 176 A HA -0.170 4.173 4.320 0.038 0.000 0.218 176 A C 2.375 180.119 177.584 0.268 0.000 1.188 176 A CA 1.852 54.010 52.037 0.201 0.000 0.631 176 A CB -0.672 18.453 19.000 0.207 0.000 0.822 176 A HN 0.143 nan 8.150 nan 0.000 0.447 177 V N 0.095 120.111 119.914 0.170 0.000 2.379 177 V HA -0.173 3.969 4.120 0.038 0.000 0.245 177 V C 3.153 179.315 176.094 0.112 0.000 1.044 177 V CA 2.557 64.950 62.300 0.155 0.000 1.036 177 V CB -1.264 30.615 31.823 0.094 0.000 0.664 177 V HN 0.744 nan 8.190 nan 0.000 0.453 178 K N -0.113 120.328 120.400 0.069 0.000 2.074 178 K HA -0.332 4.011 4.320 0.038 0.000 0.209 178 K C 1.975 178.574 176.600 -0.002 0.000 1.048 178 K CA 2.508 58.811 56.287 0.027 0.000 0.926 178 K CB -1.312 31.196 32.500 0.015 0.000 0.713 178 K HN 0.815 nan 8.250 nan 0.000 0.444 179 H N -2.019 116.972 119.070 -0.131 0.000 2.363 179 H HA 0.121 4.700 4.556 0.037 0.000 0.301 179 H C 1.624 176.723 175.328 -0.382 0.000 1.074 179 H CA 2.203 58.055 56.048 -0.327 0.000 1.354 179 H CB 0.112 29.544 29.762 -0.551 0.000 1.397 179 H HN 0.438 nan 8.280 nan 0.000 0.516 180 F N -0.762 119.289 119.950 0.168 0.000 2.559 180 F HA 0.314 4.863 4.527 0.038 0.000 0.286 180 F C 1.703 177.531 175.800 0.046 0.000 1.108 180 F CA 0.791 58.860 58.000 0.115 0.000 1.436 180 F CB 0.433 39.511 39.000 0.130 0.000 1.130 180 F HN 0.466 nan 8.300 nan 0.000 0.584 181 G N 0.531 109.453 108.800 0.204 0.000 2.466 181 G HA2 -0.071 3.911 3.960 0.038 0.000 0.218 181 G HA3 -0.071 3.911 3.960 0.038 0.000 0.218 181 G C 0.893 175.864 174.900 0.118 0.000 1.237 181 G CA -0.037 45.136 45.100 0.122 0.000 0.954 181 G HN 0.459 nan 8.290 nan 0.000 0.580 182 A N -0.322 122.545 122.820 0.078 0.000 1.968 182 A HA 0.224 4.566 4.320 0.038 0.000 0.217 182 A C 1.842 179.454 177.584 0.047 0.000 1.169 182 A CA 2.384 54.454 52.037 0.055 0.000 0.638 182 A CB -0.464 18.558 19.000 0.036 0.000 0.812 182 A HN 1.474 nan 8.150 nan 0.000 0.446 183 D N -0.011 120.418 120.400 0.048 0.000 2.324 183 D HA 0.296 4.959 4.640 0.038 0.000 0.235 183 D C 1.328 177.606 176.300 -0.036 0.000 1.095 183 D CA 0.709 54.715 54.000 0.010 0.000 0.871 183 D CB -0.354 40.451 40.800 0.009 0.000 0.906 183 D HN 0.283 nan 8.370 nan 0.000 0.522 184 A N 0.923 123.750 122.820 0.012 0.000 1.903 184 A HA -0.204 4.138 4.320 0.038 0.000 0.219 184 A C 2.218 179.714 177.584 -0.146 0.000 1.191 184 A CA 1.362 53.358 52.037 -0.068 0.000 0.638 184 A CB -0.981 18.104 19.000 0.141 0.000 0.823 184 A HN 0.430 nan 8.150 nan 0.000 0.451 185 L N -0.872 120.314 121.223 -0.061 0.000 2.083 185 L HA -0.220 4.143 4.340 0.038 0.000 0.209 185 L C 2.309 179.131 176.870 -0.079 0.000 1.083 185 L CA 2.318 57.123 54.840 -0.059 0.000 0.752 185 L CB -0.388 41.655 42.059 -0.026 0.000 0.899 185 L HN 0.501 nan 8.230 nan 0.000 0.433 186 D N -0.654 119.699 120.400 -0.078 0.000 2.117 186 D HA -0.177 4.486 4.640 0.038 0.000 0.198 186 D C 2.271 178.504 176.300 -0.111 0.000 0.982 186 D CA 0.941 54.898 54.000 -0.072 0.000 0.828 186 D CB 0.179 40.950 40.800 -0.049 0.000 0.967 186 D HN 0.047 nan 8.370 nan 0.000 0.464 187 R N -0.074 120.307 120.500 -0.199 0.000 2.081 187 R HA -0.036 4.326 4.340 0.038 0.000 0.235 187 R C 2.434 178.584 176.300 -0.250 0.000 1.131 187 R CA 0.664 56.593 56.100 -0.285 0.000 0.960 187 R CB -0.829 29.101 30.300 -0.616 0.000 0.856 187 R HN 0.358 nan 8.270 nan 0.000 0.436 188 L N 0.313 121.385 121.223 -0.250 0.000 2.341 188 L HA -0.015 4.348 4.340 0.038 0.000 0.214 188 L C 2.159 178.983 176.870 -0.078 0.000 1.115 188 L CA 0.704 55.446 54.840 -0.164 0.000 0.820 188 L CB -0.272 41.699 42.059 -0.146 0.000 0.944 188 L HN 0.167 nan 8.230 nan 0.000 0.452 189 E N 0.619 120.781 120.200 -0.065 0.000 2.072 189 E HA -0.211 4.161 4.350 0.038 0.000 0.191 189 E C 2.075 178.677 176.600 0.003 0.000 0.985 189 E CA 1.134 57.521 56.400 -0.021 0.000 0.801 189 E CB 0.087 29.773 29.700 -0.024 0.000 0.750 189 E HN 0.414 nan 8.360 nan 0.000 0.452 190 K N -0.118 120.272 120.400 -0.018 0.000 2.103 190 K HA -0.063 4.280 4.320 0.038 0.000 0.204 190 K C 0.385 176.998 176.600 0.021 0.000 1.052 190 K CA 0.829 57.119 56.287 0.004 0.000 0.945 190 K CB 0.296 32.788 32.500 -0.014 0.000 0.722 190 K HN -0.056 nan 8.250 nan 0.000 0.443 191 D N -0.094 120.298 120.400 -0.013 0.000 2.337 191 D HA 0.045 4.707 4.640 0.038 0.000 0.238 191 D C 0.257 176.522 176.300 -0.058 0.000 1.331 191 D CA -0.139 53.855 54.000 -0.011 0.000 0.967 191 D CB 0.754 41.556 40.800 0.003 0.000 1.382 191 D HN -0.095 nan 8.370 nan 0.000 0.549 192 L N 2.378 123.547 121.223 -0.090 0.000 2.191 192 L HA -0.075 4.288 4.340 0.038 0.000 0.212 192 L C 1.380 178.059 176.870 -0.318 0.000 1.103 192 L CA 1.120 55.843 54.840 -0.196 0.000 0.769 192 L CB -0.107 41.840 42.059 -0.188 0.000 0.908 192 L HN 0.355 nan 8.230 nan 0.000 0.438 193 F N -0.798 119.031 119.950 -0.201 0.000 2.748 193 F HA -0.091 4.458 4.527 0.037 0.000 0.299 193 F C 2.314 178.080 175.800 -0.056 0.000 1.154 193 F CA 0.519 58.405 58.000 -0.190 0.000 1.446 193 F CB -0.307 38.530 39.000 -0.271 0.000 1.112 193 F HN -0.036 nan 8.300 nan 0.000 0.584 194 T N 0.575 115.190 114.554 0.102 0.000 2.996 194 T HA -0.134 4.239 4.350 0.038 0.000 0.271 194 T C 2.064 176.875 174.700 0.184 0.000 1.126 194 T CA 0.863 63.051 62.100 0.146 0.000 1.103 194 T CB -0.306 68.601 68.868 0.065 0.000 0.870 194 T HN 0.260 nan 8.240 nan 0.000 0.528 195 L N 0.601 121.872 121.223 0.080 0.000 2.275 195 L HA -0.080 4.283 4.340 0.038 0.000 0.215 195 L C 2.750 179.643 176.870 0.038 0.000 1.119 195 L CA 0.873 55.741 54.840 0.047 0.000 0.790 195 L CB -0.924 41.114 42.059 -0.034 0.000 0.919 195 L HN 0.255 nan 8.230 nan 0.000 0.443 196 T N -0.479 114.141 114.554 0.111 0.000 2.721 196 T HA -0.253 4.119 4.350 0.038 0.000 0.268 196 T C 1.574 176.339 174.700 0.110 0.000 1.038 196 T CA 1.662 63.863 62.100 0.169 0.000 1.145 196 T CB -0.174 68.861 68.868 0.279 0.000 0.858 196 T HN 0.319 nan 8.240 nan 0.000 0.459 197 E N 0.266 120.499 120.200 0.056 0.000 2.481 197 E HA 0.127 4.499 4.350 0.038 0.000 0.195 197 E C 0.503 177.013 176.600 -0.151 0.000 1.047 197 E CA -0.132 56.277 56.400 0.015 0.000 0.867 197 E CB 0.229 29.979 29.700 0.082 0.000 0.858 197 E HN 0.343 nan 8.360 nan 0.000 0.513 198 V N 1.502 121.253 119.914 -0.272 0.000 2.408 198 V HA 0.070 4.213 4.120 0.038 0.000 0.267 198 V C 0.031 176.081 176.094 -0.073 0.000 1.047 198 V CA -0.708 61.398 62.300 -0.323 0.000 0.937 198 V CB 1.027 32.611 31.823 -0.398 0.000 0.999 198 V HN 0.127 nan 8.190 nan 0.000 0.472 199 E N 5.220 125.415 120.200 -0.009 0.000 2.529 199 E HA 0.205 4.577 4.350 0.038 0.000 0.259 199 E C 1.245 177.857 176.600 0.021 0.000 0.966 199 E CA 1.035 57.450 56.400 0.025 0.000 0.937 199 E CB 0.286 30.006 29.700 0.034 0.000 0.923 199 E HN 1.411 nan 8.360 nan 0.000 0.468 200 G N 4.071 112.891 108.800 0.034 0.000 2.268 200 G HA2 -0.268 3.715 3.960 0.038 0.000 0.240 200 G HA3 -0.268 3.715 3.960 0.038 0.000 0.240 200 G C 0.310 175.227 174.900 0.027 0.000 1.010 200 G CA 0.266 45.386 45.100 0.032 0.000 0.618 200 G HN 0.567 nan 8.290 nan 0.000 0.516 201 I N 1.960 122.541 120.570 0.017 0.000 2.495 201 I HA 0.579 4.772 4.170 0.038 0.000 0.277 201 I C 0.990 177.117 176.117 0.016 0.000 1.045 201 I CA -0.317 60.988 61.300 0.008 0.000 1.135 201 I CB 1.226 39.222 38.000 -0.007 0.000 1.241 201 I HN 0.218 nan 8.210 nan 0.000 0.469 202 G N 2.830 111.651 108.800 0.034 0.000 2.583 202 G HA2 0.220 4.202 3.960 0.038 0.000 0.280 202 G HA3 0.220 4.202 3.960 0.038 0.000 0.280 202 G C 0.364 175.288 174.900 0.039 0.000 1.376 202 G CA -0.359 44.782 45.100 0.067 0.000 1.043 202 G HN 0.492 nan 8.290 nan 0.000 0.538 203 F N -0.405 119.478 119.950 -0.111 0.000 2.091 203 F HA -0.138 4.412 4.527 0.037 0.000 0.299 203 F C 2.435 178.119 175.800 -0.192 0.000 1.103 203 F CA 1.435 59.319 58.000 -0.194 0.000 1.228 203 F CB -0.074 38.579 39.000 -0.577 0.000 0.984 203 F HN 0.120 nan 8.300 nan 0.000 0.477 204 L N 0.324 121.464 121.223 -0.138 0.000 2.042 204 L HA -0.235 4.127 4.340 0.038 0.000 0.210 204 L C 2.507 179.321 176.870 -0.094 0.000 1.076 204 L CA 2.310 57.102 54.840 -0.080 0.000 0.749 204 L CB -1.807 40.271 42.059 0.032 0.000 0.893 204 L HN 0.211 nan 8.230 nan 0.000 0.432 205 T N -0.614 113.891 114.554 -0.083 0.000 2.737 205 T HA -0.138 4.234 4.350 0.038 0.000 0.265 205 T C 1.971 176.573 174.700 -0.163 0.000 1.038 205 T CA 1.231 63.282 62.100 -0.083 0.000 1.144 205 T CB -0.378 68.460 68.868 -0.050 0.000 0.866 205 T HN 0.409 nan 8.240 nan 0.000 0.434 206 A N 1.708 124.374 122.820 -0.257 0.000 1.908 206 A HA -0.200 4.143 4.320 0.038 0.000 0.218 206 A C 2.168 179.402 177.584 -0.583 0.000 1.181 206 A CA 2.065 53.820 52.037 -0.470 0.000 0.627 206 A CB -0.778 17.889 19.000 -0.555 0.000 0.818 206 A HN 0.428 nan 8.150 nan 0.000 0.445 207 D N -0.541 119.611 120.400 -0.413 0.000 2.149 207 D HA -0.148 4.515 4.640 0.038 0.000 0.201 207 D C 1.986 178.300 176.300 0.024 0.000 0.972 207 D CA 1.521 55.453 54.000 -0.113 0.000 0.835 207 D CB -0.161 40.539 40.800 -0.167 0.000 0.966 207 D HN 0.595 nan 8.370 nan 0.000 0.476 208 K N 0.196 120.578 120.400 -0.029 0.000 2.026 208 K HA -0.126 4.217 4.320 0.038 0.000 0.208 208 K C 2.263 178.859 176.600 -0.007 0.000 1.048 208 K CA 1.076 57.366 56.287 0.004 0.000 0.929 208 K CB -0.289 32.209 32.500 -0.004 0.000 0.713 208 K HN 0.175 nan 8.250 nan 0.000 0.439 209 L N -0.013 121.184 121.223 -0.043 0.000 2.046 209 L HA -0.163 4.200 4.340 0.038 0.000 0.208 209 L C 2.673 179.536 176.870 -0.012 0.000 1.077 209 L CA 1.320 56.134 54.840 -0.044 0.000 0.747 209 L CB -0.724 41.291 42.059 -0.073 0.000 0.896 209 L HN 0.475 nan 8.230 nan 0.000 0.432 210 W N 1.404 122.567 121.300 -0.228 0.000 2.355 210 W HA -0.229 4.454 4.660 0.037 0.000 0.309 210 W C 2.321 178.808 176.519 -0.054 0.000 1.206 210 W CA 1.709 58.945 57.345 -0.182 0.000 1.284 210 W CB -0.122 29.180 29.460 -0.263 0.000 1.145 210 W HN 0.262 nan 8.180 nan 0.000 0.502 211 Q N 0.125 119.966 119.800 0.068 0.000 2.079 211 Q HA -0.127 4.236 4.340 0.038 0.000 0.200 211 Q C 2.542 178.492 176.000 -0.082 0.000 0.974 211 Q CA 1.657 57.447 55.803 -0.022 0.000 0.840 211 Q CB -0.621 28.166 28.738 0.082 0.000 0.898 211 Q HN 0.258 nan 8.270 nan 0.000 0.430 212 A N 2.244 125.031 122.820 -0.054 0.000 1.927 212 A HA -0.230 4.112 4.320 0.038 0.000 0.220 212 A C 1.894 179.417 177.584 -0.101 0.000 1.185 212 A CA 1.833 53.832 52.037 -0.062 0.000 0.639 212 A CB -0.566 18.406 19.000 -0.047 0.000 0.820 212 A HN 0.343 nan 8.150 nan 0.000 0.451 213 R N -0.602 119.803 120.500 -0.158 0.000 2.568 213 R HA 0.294 4.657 4.340 0.038 0.000 0.288 213 R C 0.756 176.896 176.300 -0.266 0.000 1.077 213 R CA 0.708 56.694 56.100 -0.191 0.000 1.102 213 R CB -1.231 28.959 30.300 -0.183 0.000 1.278 213 R HN 1.009 nan 8.270 nan 0.000 0.560 214 G N 0.485 109.135 108.800 -0.250 0.000 2.198 214 G HA2 -0.273 3.709 3.960 0.038 0.000 0.260 214 G HA3 -0.273 3.709 3.960 0.038 0.000 0.260 214 G C 0.357 175.032 174.900 -0.375 0.000 1.025 214 G CA 0.153 45.110 45.100 -0.239 0.000 0.769 214 G HN 0.717 nan 8.290 nan 0.000 0.507 215 G N -0.189 108.179 108.800 -0.720 0.000 2.442 215 G HA2 0.662 4.645 3.960 0.038 0.000 0.249 215 G HA3 0.662 4.645 3.960 0.038 0.000 0.249 215 G C 0.673 175.333 174.900 -0.400 0.000 1.263 215 G CA 0.576 44.940 45.100 -1.227 0.000 0.846 215 G HN 1.672 nan 8.290 nan 0.000 0.555 216 A N 2.072 124.908 122.820 0.028 0.000 2.548 216 A HA 0.249 4.592 4.320 0.038 0.000 0.247 216 A C 1.460 179.309 177.584 0.440 0.000 1.067 216 A CA -0.379 51.797 52.037 0.231 0.000 0.757 216 A CB 0.229 19.358 19.000 0.215 0.000 0.996 216 A HN 0.630 nan 8.150 nan 0.000 0.504 217 L N 1.721 123.109 121.223 0.276 0.000 2.131 217 L HA -0.112 4.251 4.340 0.038 0.000 0.210 217 L C 1.723 178.708 176.870 0.190 0.000 1.092 217 L CA 2.319 57.313 54.840 0.257 0.000 0.759 217 L CB -0.445 41.709 42.059 0.158 0.000 0.903 217 L HN 0.874 nan 8.230 nan 0.000 0.435 218 D N -2.251 118.242 120.400 0.156 0.000 2.463 218 D HA 0.008 4.670 4.640 0.038 0.000 0.224 218 D C 0.153 176.511 176.300 0.097 0.000 1.174 218 D CA -0.408 53.651 54.000 0.100 0.000 0.829 218 D CB -0.612 40.233 40.800 0.075 0.000 0.993 218 D HN 0.159 nan 8.370 nan 0.000 0.497 219 D N 1.808 122.299 120.400 0.151 0.000 2.417 219 D HA 0.022 4.685 4.640 0.038 0.000 0.250 219 D C -1.044 175.258 176.300 0.003 0.000 1.166 219 D CA -1.436 52.647 54.000 0.137 0.000 0.881 219 D CB 1.482 42.473 40.800 0.318 0.000 1.164 219 D HN -0.090 nan 8.370 nan 0.000 0.467 220 P HA -0.209 nan 4.420 nan 0.000 0.216 220 P C 0.994 178.245 177.300 -0.081 0.000 1.150 220 P CA 1.213 64.298 63.100 -0.025 0.000 0.843 220 P CB 0.190 31.892 31.700 0.003 0.000 0.787 221 R N -0.396 120.048 120.500 -0.093 0.000 2.127 221 R HA -0.102 4.261 4.340 0.038 0.000 0.238 221 R C 2.713 178.800 176.300 -0.354 0.000 1.134 221 R CA 1.253 57.272 56.100 -0.136 0.000 0.975 221 R CB -0.543 29.707 30.300 -0.084 0.000 0.865 221 R HN 0.168 nan 8.270 nan 0.000 0.447 222 R N 0.416 120.554 120.500 -0.604 0.000 2.062 222 R HA -0.100 4.262 4.340 0.038 0.000 0.229 222 R C 1.750 177.751 176.300 -0.499 0.000 1.128 222 R CA 1.075 56.472 56.100 -1.171 0.000 0.960 222 R CB -0.049 29.667 30.300 -0.973 0.000 0.855 222 R HN 0.050 nan 8.270 nan 0.000 0.432 223 L N 0.422 121.498 121.223 -0.246 0.000 2.017 223 L HA -0.111 4.251 4.340 0.038 0.000 0.208 223 L C 2.344 179.155 176.870 -0.099 0.000 1.073 223 L CA 1.875 56.647 54.840 -0.112 0.000 0.745 223 L CB -1.187 40.839 42.059 -0.054 0.000 0.894 223 L HN 0.200 nan 8.230 nan 0.000 0.432 224 T N -0.104 114.394 114.554 -0.093 0.000 2.635 224 T HA -0.246 4.127 4.350 0.038 0.000 0.267 224 T C 1.909 176.582 174.700 -0.044 0.000 1.040 224 T CA 1.657 63.725 62.100 -0.052 0.000 1.156 224 T CB -0.382 68.469 68.868 -0.029 0.000 0.863 224 T HN 0.428 nan 8.240 nan 0.000 0.430 225 A N 1.057 123.844 122.820 -0.055 0.000 2.015 225 A HA 0.234 4.577 4.320 0.038 0.000 0.219 225 A C 2.578 180.135 177.584 -0.046 0.000 1.163 225 A CA 1.668 53.735 52.037 0.050 0.000 0.646 225 A CB -0.881 18.218 19.000 0.165 0.000 0.806 225 A HN 0.514 nan 8.150 nan 0.000 0.448 226 A N -0.023 122.686 122.820 -0.185 0.000 1.969 226 A HA 0.192 4.534 4.320 0.038 0.000 0.218 226 A C 2.463 179.891 177.584 -0.259 0.000 1.169 226 A CA 1.823 53.575 52.037 -0.474 0.000 0.635 226 A CB -0.910 17.931 19.000 -0.266 0.000 0.810 226 A HN 0.989 nan 8.150 nan 0.000 0.445 227 A N -0.314 122.428 122.820 -0.130 0.000 1.865 227 A HA -0.088 4.255 4.320 0.038 0.000 0.217 227 A C 2.225 179.767 177.584 -0.070 0.000 1.191 227 A CA 2.035 54.023 52.037 -0.080 0.000 0.623 227 A CB -1.079 17.897 19.000 -0.040 0.000 0.826 227 A HN 0.448 nan 8.150 nan 0.000 0.444 228 V N -1.465 118.428 119.914 -0.035 0.000 2.343 228 V HA -0.269 3.874 4.120 0.038 0.000 0.247 228 V C 2.389 178.483 176.094 -0.000 0.000 1.051 228 V CA 2.108 64.416 62.300 0.014 0.000 1.036 228 V CB -1.070 30.798 31.823 0.074 0.000 0.654 228 V HN 0.696 nan 8.190 nan 0.000 0.451 229 Y N 1.542 121.692 120.300 -0.250 0.000 2.224 229 Y HA -0.177 4.396 4.550 0.037 0.000 0.289 229 Y C 2.384 178.121 175.900 -0.273 0.000 1.146 229 Y CA 1.020 58.914 58.100 -0.343 0.000 1.182 229 Y CB -0.756 37.185 38.460 -0.866 0.000 0.983 229 Y HN 0.150 nan 8.280 nan 0.000 0.524 230 A N 0.377 122.993 122.820 -0.341 0.000 1.892 230 A HA -0.192 4.150 4.320 0.038 0.000 0.218 230 A C 2.236 179.677 177.584 -0.238 0.000 1.188 230 A CA 1.946 53.796 52.037 -0.312 0.000 0.631 230 A CB -1.037 17.857 19.000 -0.178 0.000 0.822 230 A HN 0.452 nan 8.150 nan 0.000 0.447 231 L N -0.542 120.592 121.223 -0.148 0.000 2.027 231 L HA -0.187 4.175 4.340 0.038 0.000 0.206 231 L C 2.727 179.546 176.870 -0.085 0.000 1.074 231 L CA 2.012 56.795 54.840 -0.094 0.000 0.745 231 L CB -1.772 40.266 42.059 -0.036 0.000 0.898 231 L HN 0.552 nan 8.230 nan 0.000 0.433 232 Q N -0.624 119.134 119.800 -0.070 0.000 2.077 232 Q HA -0.272 4.090 4.340 0.038 0.000 0.206 232 Q C 2.228 178.163 176.000 -0.108 0.000 0.989 232 Q CA 1.510 57.296 55.803 -0.028 0.000 0.853 232 Q CB -0.271 28.503 28.738 0.061 0.000 0.907 232 Q HN 0.263 nan 8.270 nan 0.000 0.418 233 L N 0.351 121.400 121.223 -0.290 0.000 2.093 233 L HA -0.105 4.257 4.340 0.038 0.000 0.208 233 L C 2.171 178.943 176.870 -0.164 0.000 1.085 233 L CA 1.709 56.364 54.840 -0.308 0.000 0.755 233 L CB -0.720 40.994 42.059 -0.575 0.000 0.904 233 L HN 0.155 nan 8.230 nan 0.000 0.435 234 A N -0.592 122.150 122.820 -0.129 0.000 1.892 234 A HA -0.179 4.164 4.320 0.038 0.000 0.218 234 A C 2.350 179.916 177.584 -0.029 0.000 1.188 234 A CA 1.885 53.911 52.037 -0.019 0.000 0.631 234 A CB -1.587 17.407 19.000 -0.010 0.000 0.822 234 A HN 0.496 nan 8.150 nan 0.000 0.447 235 G N -1.862 106.917 108.800 -0.035 0.000 2.402 235 G HA2 -0.116 3.866 3.960 0.038 0.000 0.216 235 G HA3 -0.116 3.866 3.960 0.038 0.000 0.216 235 G C 1.607 176.479 174.900 -0.046 0.000 1.162 235 G CA 1.610 46.692 45.100 -0.031 0.000 0.777 235 G HN 0.431 nan 8.290 nan 0.000 0.539 236 T N 0.434 114.964 114.554 -0.040 0.000 2.737 236 T HA -0.118 4.255 4.350 0.038 0.000 0.265 236 T C 2.369 177.038 174.700 -0.052 0.000 1.038 236 T CA 1.786 63.869 62.100 -0.028 0.000 1.144 236 T CB -0.140 68.721 68.868 -0.011 0.000 0.866 236 T HN 0.630 nan 8.240 nan 0.000 0.434 237 Q N -0.394 119.360 119.800 -0.077 0.000 2.356 237 Q HA 0.426 4.789 4.340 0.038 0.000 0.205 237 Q C 1.154 177.083 176.000 -0.119 0.000 0.901 237 Q CA 0.571 56.328 55.803 -0.078 0.000 0.938 237 Q CB 0.429 29.128 28.738 -0.064 0.000 1.081 237 Q HN 0.398 nan 8.270 nan 0.000 0.517 238 A N -0.422 122.285 122.820 -0.188 0.000 2.699 238 A HA 0.505 4.848 4.320 0.038 0.000 0.242 238 A C 1.131 178.446 177.584 -0.449 0.000 1.142 238 A CA 0.339 52.178 52.037 -0.330 0.000 1.008 238 A CB 0.446 19.182 19.000 -0.440 0.000 1.232 238 A HN 0.571 nan 8.150 nan 0.000 0.574 239 G N 0.117 108.753 108.800 -0.274 0.000 2.168 239 G HA2 -0.272 3.710 3.960 0.038 0.000 0.263 239 G HA3 -0.272 3.710 3.960 0.038 0.000 0.263 239 G C 0.105 174.893 174.900 -0.187 0.000 0.977 239 G CA 0.481 45.467 45.100 -0.191 0.000 0.659 239 G HN 0.752 nan 8.290 nan 0.000 0.533 240 H N 0.400 119.389 119.070 -0.135 0.000 2.790 240 H HA 0.356 4.935 4.556 0.038 0.000 0.358 240 H C 1.438 176.666 175.328 -0.166 0.000 1.103 240 H CA 0.759 56.675 56.048 -0.221 0.000 1.426 240 H CB 1.237 30.814 29.762 -0.308 0.000 1.424 240 H HN 0.159 nan 8.280 nan 0.000 0.599 241 S N 2.208 117.890 115.700 -0.030 0.000 2.503 241 S HA 0.108 4.601 4.470 0.038 0.000 0.217 241 S C 0.120 174.698 174.600 -0.037 0.000 0.999 241 S CA 0.091 58.333 58.200 0.070 0.000 0.914 241 S CB 0.147 63.502 63.200 0.258 0.000 0.782 241 S HN 0.572 nan 8.310 nan 0.000 0.520 242 F N -0.894 118.861 119.950 -0.326 0.000 2.741 242 F HA 0.720 5.269 4.527 0.038 0.000 0.313 242 F C -2.132 173.431 175.800 -0.395 0.000 1.153 242 F CA -1.613 56.032 58.000 -0.591 0.000 0.931 242 F CB 0.869 39.131 39.000 -1.229 0.000 1.335 242 F HN -0.264 nan 8.300 nan 0.000 0.460 243 L N 1.810 122.942 121.223 -0.152 0.000 2.408 243 L HA 0.602 4.965 4.340 0.038 0.000 0.268 243 L C -2.664 174.234 176.870 0.048 0.000 0.986 243 L CA -2.247 52.477 54.840 -0.193 0.000 0.820 243 L CB 2.551 44.487 42.059 -0.206 0.000 1.303 243 L HN 0.362 nan 8.230 nan 0.000 0.411 244 P HA 0.050 nan 4.420 nan 0.000 0.267 244 P C 0.279 177.575 177.300 -0.008 0.000 1.200 244 P CA -0.137 62.991 63.100 0.046 0.000 0.772 244 P CB 0.679 32.391 31.700 0.019 0.000 0.855 245 R N 2.186 122.684 120.500 -0.004 0.000 2.103 245 R HA -0.187 4.176 4.340 0.038 0.000 0.242 245 R C 2.017 178.306 176.300 -0.019 0.000 1.142 245 R CA 2.513 58.606 56.100 -0.011 0.000 0.960 245 R CB -0.654 29.643 30.300 -0.006 0.000 0.858 245 R HN 0.638 nan 8.270 nan 0.000 0.439 246 S N -0.439 115.249 115.700 -0.020 0.000 2.423 246 S HA -0.109 4.383 4.470 0.038 0.000 0.231 246 S C 1.932 176.512 174.600 -0.034 0.000 1.014 246 S CA 0.894 59.081 58.200 -0.022 0.000 0.965 246 S CB -0.134 63.055 63.200 -0.019 0.000 0.785 246 S HN 0.289 nan 8.310 nan 0.000 0.495 247 R N 1.417 121.886 120.500 -0.052 0.000 2.093 247 R HA 0.364 4.726 4.340 0.038 0.000 0.224 247 R C 2.661 178.916 176.300 -0.076 0.000 1.101 247 R CA 1.147 57.200 56.100 -0.077 0.000 0.979 247 R CB -0.995 29.230 30.300 -0.125 0.000 0.877 247 R HN 0.523 nan 8.270 nan 0.000 0.441 248 A N 0.975 123.754 122.820 -0.069 0.000 1.883 248 A HA -0.240 4.103 4.320 0.038 0.000 0.217 248 A C 1.890 179.449 177.584 -0.042 0.000 1.186 248 A CA 1.815 53.815 52.037 -0.062 0.000 0.624 248 A CB -0.502 18.469 19.000 -0.047 0.000 0.822 248 A HN 0.390 nan 8.150 nan 0.000 0.444 249 E N -0.641 119.542 120.200 -0.027 0.000 2.058 249 E HA -0.232 4.141 4.350 0.038 0.000 0.194 249 E C 2.136 178.736 176.600 -0.001 0.000 0.997 249 E CA 1.492 57.885 56.400 -0.012 0.000 0.801 249 E CB -0.158 29.537 29.700 -0.007 0.000 0.746 249 E HN 0.660 nan 8.360 nan 0.000 0.450 250 K N 0.496 120.892 120.400 -0.008 0.000 2.063 250 K HA -0.151 4.192 4.320 0.038 0.000 0.208 250 K C 2.212 178.831 176.600 0.031 0.000 1.048 250 K CA 1.425 57.716 56.287 0.008 0.000 0.928 250 K CB -0.377 32.114 32.500 -0.014 0.000 0.713 250 K HN 0.174 nan 8.250 nan 0.000 0.442 251 G N 0.560 109.356 108.800 -0.007 0.000 2.529 251 G HA2 -0.294 3.689 3.960 0.038 0.000 0.219 251 G HA3 -0.294 3.689 3.960 0.038 0.000 0.219 251 G C 1.465 176.409 174.900 0.074 0.000 1.177 251 G CA 1.384 46.486 45.100 0.003 0.000 0.773 251 G HN 0.232 nan 8.290 nan 0.000 0.573 252 V N 0.279 120.214 119.914 0.035 0.000 2.343 252 V HA -0.166 3.977 4.120 0.038 0.000 0.247 252 V C 3.030 179.186 176.094 0.102 0.000 1.051 252 V CA 1.487 63.819 62.300 0.052 0.000 1.036 252 V CB -0.444 31.384 31.823 0.009 0.000 0.654 252 V HN 0.262 nan 8.190 nan 0.000 0.451 253 V N 0.054 120.019 119.914 0.085 0.000 2.255 253 V HA -0.358 3.785 4.120 0.038 0.000 0.247 253 V C 2.437 178.598 176.094 0.111 0.000 1.051 253 V CA 2.715 65.064 62.300 0.082 0.000 1.018 253 V CB -0.928 30.932 31.823 0.062 0.000 0.641 253 V HN 0.747 nan 8.190 nan 0.000 0.445 254 H N -1.151 117.948 119.070 0.049 0.000 2.321 254 H HA -0.298 4.280 4.556 0.037 0.000 0.295 254 H C 2.103 177.481 175.328 0.084 0.000 1.102 254 H CA 2.804 58.884 56.048 0.054 0.000 1.266 254 H CB -0.309 29.482 29.762 0.049 0.000 1.363 254 H HN 0.530 nan 8.280 nan 0.000 0.492 255 Y N 0.070 120.394 120.300 0.040 0.000 2.231 255 Y HA -0.057 4.516 4.550 0.037 0.000 0.294 255 Y C 2.799 178.712 175.900 0.021 0.000 1.120 255 Y CA 1.881 59.990 58.100 0.015 0.000 1.141 255 Y CB -0.250 38.277 38.460 0.112 0.000 1.022 255 Y HN 0.442 nan 8.280 nan 0.000 0.523 256 T N -2.771 111.907 114.554 0.206 0.000 3.057 256 T HA 0.129 4.501 4.350 0.038 0.000 0.254 256 T C 0.661 175.388 174.700 0.045 0.000 1.094 256 T CA 0.152 62.343 62.100 0.151 0.000 1.088 256 T CB 0.018 68.993 68.868 0.179 0.000 0.934 256 T HN 0.236 nan 8.240 nan 0.000 0.497 257 R N 0.525 121.037 120.500 0.020 0.000 3.525 257 R HA -0.108 4.255 4.340 0.038 0.000 0.276 257 R C 0.403 176.715 176.300 0.020 0.000 1.116 257 R CA 0.806 56.907 56.100 0.002 0.000 0.745 257 R CB -3.151 27.130 30.300 -0.031 0.000 1.185 257 R HN 0.741 nan 8.270 nan 0.000 0.454 258 V N -2.632 117.302 119.914 0.034 0.000 3.262 258 V HA 0.698 4.841 4.120 0.038 0.000 0.313 258 V C 1.445 177.555 176.094 0.026 0.000 1.070 258 V CA -0.136 62.183 62.300 0.032 0.000 1.049 258 V CB 1.611 33.456 31.823 0.036 0.000 1.157 258 V HN 0.356 nan 8.190 nan 0.000 0.454 259 T N -1.323 113.244 114.554 0.023 0.000 2.813 259 T HA 0.350 4.723 4.350 0.038 0.000 0.297 259 T C -1.641 173.070 174.700 0.018 0.000 1.036 259 T CA -0.708 61.404 62.100 0.019 0.000 1.044 259 T CB 0.603 69.481 68.868 0.016 0.000 0.993 259 T HN 0.639 nan 8.240 nan 0.000 0.535 260 P HA 0.032 nan 4.420 nan 0.000 0.216 260 P C 1.817 179.124 177.300 0.011 0.000 1.150 260 P CA 1.264 64.372 63.100 0.013 0.000 0.837 260 P CB -0.453 31.253 31.700 0.011 0.000 0.786 261 G N -0.142 108.665 108.800 0.011 0.000 2.418 261 G HA2 -0.278 3.704 3.960 0.038 0.000 0.217 261 G HA3 -0.278 3.704 3.960 0.038 0.000 0.217 261 G C 1.577 176.483 174.900 0.011 0.000 1.158 261 G CA 0.591 45.697 45.100 0.010 0.000 0.771 261 G HN 0.286 nan 8.290 nan 0.000 0.545 262 Q N 0.082 119.890 119.800 0.013 0.000 2.096 262 Q HA -0.039 4.323 4.340 0.038 0.000 0.204 262 Q C 2.977 178.983 176.000 0.010 0.000 0.982 262 Q CA 1.391 57.202 55.803 0.013 0.000 0.850 262 Q CB -0.239 28.511 28.738 0.019 0.000 0.901 262 Q HN 0.499 nan 8.270 nan 0.000 0.422 263 A N 0.994 123.820 122.820 0.011 0.000 1.929 263 A HA -0.164 4.178 4.320 0.038 0.000 0.216 263 A C 1.997 179.582 177.584 0.002 0.000 1.176 263 A CA 1.226 53.268 52.037 0.008 0.000 0.628 263 A CB -0.445 18.564 19.000 0.014 0.000 0.816 263 A HN 0.249 nan 8.150 nan 0.000 0.444 264 R N -0.677 119.826 120.500 0.004 0.000 2.091 264 R HA -0.148 4.214 4.340 0.038 0.000 0.238 264 R C 1.975 178.276 176.300 0.002 0.000 1.136 264 R CA 1.804 57.905 56.100 0.002 0.000 0.959 264 R CB -0.439 29.863 30.300 0.003 0.000 0.856 264 R HN 0.393 nan 8.270 nan 0.000 0.437 265 L N 0.795 122.020 121.223 0.004 0.000 2.046 265 L HA -0.042 4.320 4.340 0.038 0.000 0.208 265 L C 2.304 179.175 176.870 0.001 0.000 1.077 265 L CA 2.104 56.947 54.840 0.004 0.000 0.747 265 L CB -0.673 41.390 42.059 0.006 0.000 0.896 265 L HN 0.298 nan 8.230 nan 0.000 0.432 266 A N -1.404 121.413 122.820 -0.004 0.000 1.933 266 A HA -0.123 4.219 4.320 0.038 0.000 0.218 266 A C 2.239 179.818 177.584 -0.009 0.000 1.175 266 A CA 1.881 53.911 52.037 -0.012 0.000 0.628 266 A CB -0.951 18.037 19.000 -0.021 0.000 0.814 266 A HN 0.291 nan 8.150 nan 0.000 0.444 267 V N -0.257 119.653 119.914 -0.007 0.000 2.307 267 V HA -0.236 3.906 4.120 0.038 0.000 0.245 267 V C 2.392 178.489 176.094 0.004 0.000 1.045 267 V CA 2.196 64.494 62.300 -0.004 0.000 1.024 267 V CB -0.813 31.006 31.823 -0.006 0.000 0.651 267 V HN 0.627 nan 8.190 nan 0.000 0.449 268 E N -0.032 120.170 120.200 0.005 0.000 2.085 268 E HA -0.206 4.167 4.350 0.038 0.000 0.194 268 E C 2.304 178.911 176.600 0.011 0.000 0.994 268 E CA 1.948 58.353 56.400 0.008 0.000 0.801 268 E CB -0.201 29.503 29.700 0.007 0.000 0.743 268 E HN 0.592 nan 8.360 nan 0.000 0.453 269 T N 0.347 114.906 114.554 0.009 0.000 2.777 269 T HA -0.118 4.254 4.350 0.038 0.000 0.266 269 T C 1.918 176.629 174.700 0.018 0.000 1.040 269 T CA 1.049 63.157 62.100 0.013 0.000 1.141 269 T CB -0.223 68.650 68.868 0.008 0.000 0.868 269 T HN 0.253 nan 8.240 nan 0.000 0.444 270 A N 1.050 123.880 122.820 0.017 0.000 1.908 270 A HA -0.075 4.268 4.320 0.038 0.000 0.218 270 A C 2.572 180.176 177.584 0.034 0.000 1.181 270 A CA 1.478 53.531 52.037 0.027 0.000 0.627 270 A CB -1.043 17.970 19.000 0.022 0.000 0.818 270 A HN 0.355 nan 8.150 nan 0.000 0.445 271 V N 1.121 121.052 119.914 0.029 0.000 2.270 271 V HA -0.280 3.862 4.120 0.038 0.000 0.245 271 V C 2.562 178.674 176.094 0.029 0.000 1.043 271 V CA 2.276 64.594 62.300 0.031 0.000 1.014 271 V CB -1.029 30.809 31.823 0.026 0.000 0.645 271 V HN 0.913 nan 8.190 nan 0.000 0.447 272 E N 0.375 120.589 120.200 0.024 0.000 2.265 272 E HA -0.181 4.191 4.350 0.038 0.000 0.196 272 E C 1.966 178.583 176.600 0.028 0.000 0.996 272 E CA 1.276 57.690 56.400 0.022 0.000 0.832 272 E CB -0.336 29.375 29.700 0.018 0.000 0.756 272 E HN 0.544 nan 8.360 nan 0.000 0.491 273 L N 0.324 121.566 121.223 0.033 0.000 2.558 273 L HA 0.165 4.527 4.340 0.038 0.000 0.225 273 L C 1.396 178.295 176.870 0.049 0.000 1.128 273 L CA 0.465 55.330 54.840 0.041 0.000 0.868 273 L CB -0.185 41.901 42.059 0.044 0.000 1.006 273 L HN 0.498 nan 8.230 nan 0.000 0.454 274 G N 0.424 109.252 108.800 0.047 0.000 2.153 274 G HA2 -0.318 3.664 3.960 0.038 0.000 0.252 274 G HA3 -0.318 3.664 3.960 0.038 0.000 0.252 274 G C 1.098 176.039 174.900 0.069 0.000 0.994 274 G CA 0.338 45.469 45.100 0.052 0.000 0.698 274 G HN 0.345 nan 8.290 nan 0.000 0.521 275 R N -1.117 119.426 120.500 0.072 0.000 2.200 275 R HA 0.296 4.659 4.340 0.038 0.000 0.208 275 R C 1.035 177.386 176.300 0.085 0.000 1.033 275 R CA 0.681 56.834 56.100 0.088 0.000 1.000 275 R CB 0.120 30.473 30.300 0.087 0.000 0.906 275 R HN 0.467 nan 8.270 nan 0.000 0.462 276 L N -0.336 120.929 121.223 0.070 0.000 2.333 276 L HA 0.338 4.701 4.340 0.038 0.000 0.263 276 L C -0.459 176.454 176.870 0.071 0.000 1.014 276 L CA -0.683 54.201 54.840 0.073 0.000 0.820 276 L CB 2.431 44.524 42.059 0.057 0.000 1.352 276 L HN -0.169 nan 8.230 nan 0.000 0.421 277 S N 0.268 116.023 115.700 0.093 0.000 2.537 277 S HA 0.436 4.929 4.470 0.038 0.000 0.301 277 S C -0.910 173.755 174.600 0.108 0.000 1.092 277 S CA -0.663 57.586 58.200 0.081 0.000 1.048 277 S CB 1.970 65.205 63.200 0.059 0.000 1.053 277 S HN 0.470 nan 8.310 nan 0.000 0.501 278 E N 1.413 121.654 120.200 0.068 0.000 2.199 278 E HA 0.362 4.734 4.350 0.038 0.000 0.265 278 E C -1.851 174.773 176.600 0.040 0.000 0.882 278 E CA -0.457 55.979 56.400 0.061 0.000 0.759 278 E CB 1.292 31.011 29.700 0.030 0.000 1.148 278 E HN 0.540 nan 8.360 nan 0.000 0.412 279 D N 3.130 123.561 120.400 0.051 0.000 2.788 279 D HA 0.134 4.796 4.640 0.038 0.000 0.247 279 D C -0.806 175.482 176.300 -0.020 0.000 1.236 279 D CA -0.560 53.444 54.000 0.007 0.000 0.898 279 D CB 1.135 41.942 40.800 0.011 0.000 1.401 279 D HN 0.417 nan 8.370 nan 0.000 0.549 280 D N 1.568 121.949 120.400 -0.032 0.000 2.599 280 D HA 0.090 4.752 4.640 0.038 0.000 0.249 280 D C -0.324 175.950 176.300 -0.043 0.000 1.313 280 D CA -0.366 53.609 54.000 -0.041 0.000 0.815 280 D CB -0.121 40.662 40.800 -0.029 0.000 1.077 280 D HN 0.112 nan 8.370 nan 0.000 0.492 281 S N 1.315 116.987 115.700 -0.048 0.000 2.488 281 S HA 0.232 4.724 4.470 0.038 0.000 0.278 281 S C -1.324 173.249 174.600 -0.045 0.000 1.259 281 S CA -0.888 57.284 58.200 -0.046 0.000 1.061 281 S CB 1.225 64.393 63.200 -0.054 0.000 0.910 281 S HN -0.127 nan 8.310 nan 0.000 0.491 282 P HA -0.109 nan 4.420 nan 0.000 0.217 282 P C 0.971 178.263 177.300 -0.013 0.000 1.151 282 P CA 1.097 64.179 63.100 -0.030 0.000 0.849 282 P CB -0.093 31.587 31.700 -0.033 0.000 0.787 283 L N -6.199 115.018 121.223 -0.010 0.000 4.838 283 L HA -0.379 3.983 4.340 0.038 0.000 0.053 283 L C 1.459 178.396 176.870 0.112 0.000 3.590 283 L CA 1.898 56.751 54.840 0.022 0.000 1.203 283 L CB -1.750 40.320 42.059 0.018 0.000 3.194 283 L HN -0.022 nan 8.230 nan 0.000 0.976 284 F N -0.665 119.256 119.950 -0.048 0.000 2.536 284 F HA 0.607 5.156 4.527 0.038 0.000 0.278 284 F C 1.496 177.281 175.800 -0.025 0.000 0.945 284 F CA 0.573 58.553 58.000 -0.034 0.000 1.244 284 F CB -0.028 38.956 39.000 -0.025 0.000 1.118 284 F HN 0.297 nan 8.300 nan 0.000 0.725 288 A N 1.092 123.890 122.820 -0.036 0.000 1.930 288 A HA 0.565 4.908 4.320 0.038 0.000 0.215 288 A C 2.664 180.230 177.584 -0.029 0.000 1.176 288 A CA 2.697 54.711 52.037 -0.039 0.000 0.632 288 A CB -0.512 18.453 19.000 -0.058 0.000 0.819 288 A HN 1.378 nan 8.150 nan 0.000 0.445 289 A N -0.103 122.700 122.820 -0.029 0.000 1.929 289 A HA 0.284 4.627 4.320 0.038 0.000 0.216 289 A C 2.435 180.006 177.584 -0.022 0.000 1.176 289 A CA 1.724 53.746 52.037 -0.025 0.000 0.628 289 A CB -0.828 18.155 19.000 -0.027 0.000 0.816 289 A HN 0.855 nan 8.150 nan 0.000 0.444 290 A N -0.199 122.607 122.820 -0.022 0.000 1.841 290 A HA -0.082 4.260 4.320 0.038 0.000 0.214 290 A C 2.379 179.954 177.584 -0.015 0.000 1.195 290 A CA 2.366 54.392 52.037 -0.020 0.000 0.611 290 A CB -1.431 17.556 19.000 -0.022 0.000 0.835 290 A HN 0.819 nan 8.150 nan 0.000 0.443 291 T N -2.909 111.637 114.554 -0.012 0.000 3.163 291 T HA 0.335 4.707 4.350 0.038 0.000 0.260 291 T C 1.260 175.955 174.700 -0.009 0.000 1.156 291 T CA 1.106 63.201 62.100 -0.008 0.000 1.072 291 T CB -0.724 68.143 68.868 -0.002 0.000 0.937 291 T HN 1.830 nan 8.240 nan 0.000 0.528 292 G N 0.567 109.359 108.800 -0.013 0.000 2.283 292 G HA2 -0.259 3.724 3.960 0.038 0.000 0.280 292 G HA3 -0.259 3.724 3.960 0.038 0.000 0.280 292 G C -0.257 174.636 174.900 -0.012 0.000 1.029 292 G CA 0.445 45.537 45.100 -0.012 0.000 0.840 292 G HN 0.789 nan 8.290 nan 0.000 0.505 293 E N -0.627 119.565 120.200 -0.013 0.000 2.287 293 E HA 0.519 4.892 4.350 0.038 0.000 0.274 293 E C 0.707 177.296 176.600 -0.019 0.000 0.896 293 E CA -0.260 56.133 56.400 -0.012 0.000 0.788 293 E CB 0.900 30.596 29.700 -0.006 0.000 1.244 293 E HN 0.473 nan 8.360 nan 0.000 0.408 294 G N 2.667 111.454 108.800 -0.021 0.000 2.599 294 G HA2 0.293 4.276 3.960 0.038 0.000 0.264 294 G HA3 0.293 4.276 3.960 0.038 0.000 0.264 294 G C -0.368 174.506 174.900 -0.043 0.000 1.200 294 G CA -0.488 44.592 45.100 -0.034 0.000 0.896 294 G HN 0.450 nan 8.290 nan 0.000 0.536 295 R N -0.641 119.806 120.500 -0.088 0.000 2.312 295 R HA 0.383 4.745 4.340 0.038 0.000 0.311 295 R C -0.955 175.328 176.300 -0.030 0.000 1.004 295 R CA -0.671 55.340 56.100 -0.149 0.000 0.902 295 R CB 1.534 31.480 30.300 -0.591 0.000 1.073 295 R HN 0.221 nan 8.270 nan 0.000 0.457 296 I N 3.296 123.857 120.570 -0.016 0.000 2.336 296 I HA 0.257 4.450 4.170 0.038 0.000 0.292 296 I C -0.695 175.415 176.117 -0.012 0.000 0.991 296 I CA -0.487 60.831 61.300 0.030 0.000 1.227 296 I CB 0.726 38.735 38.000 0.014 0.000 1.366 296 I HN 0.434 nan 8.210 nan 0.000 0.466 297 Y N 5.053 125.376 120.300 0.039 0.000 2.536 297 Y HA 0.535 5.108 4.550 0.037 0.000 0.347 297 Y C -0.170 175.730 175.900 0.000 0.000 1.000 297 Y CA -0.967 57.154 58.100 0.034 0.000 1.051 297 Y CB 1.492 39.958 38.460 0.009 0.000 1.259 297 Y HN 0.251 nan 8.280 nan 0.000 0.468 298 L N 4.611 125.923 121.223 0.149 0.000 2.455 298 L HA 0.060 4.423 4.340 0.038 0.000 0.272 298 L C -1.566 175.328 176.870 0.040 0.000 1.174 298 L CA -1.263 53.618 54.840 0.068 0.000 0.869 298 L CB 0.508 42.556 42.059 -0.018 0.000 1.130 298 L HN 0.501 nan 8.230 nan 0.000 0.474 299 P HA -0.234 nan 4.420 nan 0.000 0.216 299 P C 1.418 178.736 177.300 0.030 0.000 1.157 299 P CA 1.545 64.679 63.100 0.057 0.000 0.880 299 P CB -0.144 31.611 31.700 0.092 0.000 0.791 300 H N -1.285 117.816 119.070 0.052 0.000 2.423 300 H HA -0.015 4.563 4.556 0.037 0.000 0.297 300 H C 1.579 176.934 175.328 0.044 0.000 1.075 300 H CA 1.146 57.219 56.048 0.041 0.000 1.342 300 H CB -1.229 28.565 29.762 0.053 0.000 1.395 300 H HN -0.033 nan 8.280 nan 0.000 0.530 301 V N 2.143 121.775 119.914 -0.471 0.000 2.427 301 V HA -0.196 3.947 4.120 0.038 0.000 0.248 301 V C 3.013 179.052 176.094 -0.091 0.000 1.051 301 V CA 1.339 63.508 62.300 -0.218 0.000 1.048 301 V CB -0.641 31.103 31.823 -0.132 0.000 0.666 301 V HN 0.345 nan 8.190 nan 0.000 0.456 302 L N 0.304 121.395 121.223 -0.220 0.000 2.005 302 L HA -0.123 4.240 4.340 0.038 0.000 0.207 302 L C 2.774 179.462 176.870 -0.303 0.000 1.072 302 L CA 1.926 56.416 54.840 -0.585 0.000 0.744 302 L CB -0.687 40.939 42.059 -0.720 0.000 0.895 302 L HN 0.263 nan 8.230 nan 0.000 0.433 303 R N -0.125 120.279 120.500 -0.161 0.000 2.103 303 R HA -0.198 4.165 4.340 0.038 0.000 0.242 303 R C 2.217 178.489 176.300 -0.047 0.000 1.142 303 R CA 1.622 57.675 56.100 -0.079 0.000 0.960 303 R CB -0.444 29.845 30.300 -0.018 0.000 0.858 303 R HN 0.540 nan 8.270 nan 0.000 0.439 304 A N 0.690 123.497 122.820 -0.023 0.000 1.929 304 A HA -0.172 4.170 4.320 0.038 0.000 0.216 304 A C 2.003 179.585 177.584 -0.002 0.000 1.176 304 A CA 1.165 53.209 52.037 0.011 0.000 0.628 304 A CB -0.300 18.735 19.000 0.057 0.000 0.816 304 A HN 0.366 nan 8.150 nan 0.000 0.444 305 E N -0.013 120.174 120.200 -0.021 0.000 2.072 305 E HA -0.171 4.202 4.350 0.038 0.000 0.191 305 E C 1.914 178.506 176.600 -0.013 0.000 0.985 305 E CA 1.145 57.546 56.400 0.002 0.000 0.801 305 E CB -0.064 29.653 29.700 0.028 0.000 0.750 305 E HN 0.584 nan 8.360 nan 0.000 0.452 306 K N 0.415 120.784 120.400 -0.052 0.000 2.057 306 K HA -0.175 4.168 4.320 0.038 0.000 0.206 306 K C 2.216 178.825 176.600 0.015 0.000 1.050 306 K CA 1.255 57.531 56.287 -0.019 0.000 0.935 306 K CB -0.075 32.393 32.500 -0.054 0.000 0.715 306 K HN -0.118 nan 8.250 nan 0.000 0.439 307 K N 1.801 122.194 120.400 -0.012 0.000 2.057 307 K HA -0.064 4.279 4.320 0.038 0.000 0.206 307 K C 1.910 178.494 176.600 -0.026 0.000 1.050 307 K CA 0.949 57.224 56.287 -0.021 0.000 0.935 307 K CB -0.412 32.072 32.500 -0.026 0.000 0.715 307 K HN 0.051 nan 8.250 nan 0.000 0.439 308 L N 0.055 121.269 121.223 -0.015 0.000 2.012 308 L HA -0.181 4.181 4.340 0.038 0.000 0.210 308 L C 2.165 179.021 176.870 -0.023 0.000 1.073 308 L CA 1.918 56.746 54.840 -0.019 0.000 0.748 308 L CB -0.701 41.356 42.059 -0.004 0.000 0.891 308 L HN 0.377 nan 8.230 nan 0.000 0.431 309 A N -1.514 121.310 122.820 0.007 0.000 1.972 309 A HA -0.223 4.119 4.320 0.038 0.000 0.219 309 A C 2.454 179.991 177.584 -0.078 0.000 1.169 309 A CA 1.939 53.993 52.037 0.029 0.000 0.635 309 A CB -0.588 18.494 19.000 0.137 0.000 0.810 309 A HN 0.507 nan 8.150 nan 0.000 0.446 310 S N -0.616 115.018 115.700 -0.110 0.000 2.357 310 S HA -0.029 4.463 4.470 0.038 0.000 0.221 310 S C 1.907 176.375 174.600 -0.220 0.000 1.031 310 S CA 1.188 59.217 58.200 -0.285 0.000 0.982 310 S CB -0.420 62.699 63.200 -0.134 0.000 0.853 310 S HN 0.510 nan 8.310 nan 0.000 0.458 311 L N 1.026 122.172 121.223 -0.128 0.000 2.017 311 L HA -0.073 4.289 4.340 0.038 0.000 0.208 311 L C 2.346 179.157 176.870 -0.099 0.000 1.073 311 L CA 1.200 55.980 54.840 -0.100 0.000 0.745 311 L CB -0.590 41.427 42.059 -0.071 0.000 0.894 311 L HN 0.338 nan 8.230 nan 0.000 0.432 312 I N -0.503 120.012 120.570 -0.092 0.000 2.208 312 I HA -0.319 3.874 4.170 0.038 0.000 0.245 312 I C 2.928 178.986 176.117 -0.099 0.000 1.097 312 I CA 1.234 62.486 61.300 -0.080 0.000 1.363 312 I CB -0.398 37.566 38.000 -0.059 0.000 1.051 312 I HN 0.297 nan 8.210 nan 0.000 0.413 313 R N 0.637 121.046 120.500 -0.152 0.000 2.081 313 R HA -0.159 4.204 4.340 0.038 0.000 0.235 313 R C 2.210 178.426 176.300 -0.140 0.000 1.131 313 R CA 2.172 58.169 56.100 -0.172 0.000 0.960 313 R CB -0.381 29.707 30.300 -0.354 0.000 0.856 313 R HN 0.287 nan 8.270 nan 0.000 0.436 314 T N 1.830 116.295 114.554 -0.148 0.000 2.777 314 T HA -0.092 4.280 4.350 0.038 0.000 0.266 314 T C 1.932 176.584 174.700 -0.080 0.000 1.040 314 T CA 1.219 63.255 62.100 -0.107 0.000 1.141 314 T CB -0.171 68.637 68.868 -0.100 0.000 0.868 314 T HN 0.168 nan 8.240 nan 0.000 0.444 315 L N 0.426 121.604 121.223 -0.075 0.000 2.042 315 L HA -0.101 4.262 4.340 0.038 0.000 0.210 315 L C 2.435 179.273 176.870 -0.053 0.000 1.076 315 L CA 1.261 56.065 54.840 -0.061 0.000 0.749 315 L CB -0.556 41.469 42.059 -0.057 0.000 0.893 315 L HN 0.264 nan 8.230 nan 0.000 0.432 316 L N -0.992 120.200 121.223 -0.051 0.000 2.141 316 L HA -0.131 4.231 4.340 0.038 0.000 0.209 316 L C 2.515 179.364 176.870 -0.035 0.000 1.094 316 L CA 1.028 55.851 54.840 -0.029 0.000 0.763 316 L CB -0.535 41.506 42.059 -0.030 0.000 0.908 316 L HN 0.227 nan 8.230 nan 0.000 0.437 317 A N -0.928 121.860 122.820 -0.053 0.000 2.195 317 A HA 0.075 4.417 4.320 0.038 0.000 0.210 317 A C 1.031 178.577 177.584 -0.064 0.000 1.165 317 A CA 0.590 52.594 52.037 -0.054 0.000 0.806 317 A CB -0.324 18.645 19.000 -0.052 0.000 0.847 317 A HN 0.371 nan 8.150 nan 0.000 0.482 318 T N -0.319 114.193 114.554 -0.070 0.000 2.779 318 T HA 0.598 4.970 4.350 0.038 0.000 0.280 318 T C -2.989 171.654 174.700 -0.095 0.000 0.987 318 T CA -2.303 59.754 62.100 -0.073 0.000 0.966 318 T CB 2.037 70.869 68.868 -0.060 0.000 0.933 318 T HN 0.042 nan 8.240 nan 0.000 0.442 319 P HA 0.319 nan 4.420 nan 0.000 0.274 319 P C -2.596 174.643 177.300 -0.102 0.000 1.237 319 P CA -1.762 61.255 63.100 -0.138 0.000 0.793 319 P CB -0.385 31.233 31.700 -0.136 0.000 0.977 320 P HA 0.263 nan 4.420 nan 0.000 0.268 320 P C -0.797 176.475 177.300 -0.047 0.000 1.204 320 P CA 0.364 63.413 63.100 -0.084 0.000 0.768 320 P CB 0.365 31.990 31.700 -0.125 0.000 0.842 321 A N 2.524 125.330 122.820 -0.023 0.000 2.601 321 A HA 0.533 4.876 4.320 0.038 0.000 0.291 321 A C -0.856 176.732 177.584 0.007 0.000 1.075 321 A CA -0.759 51.276 52.037 -0.004 0.000 0.671 321 A CB 1.010 20.002 19.000 -0.013 0.000 1.277 321 A HN 0.571 nan 8.150 nan 0.000 0.417 328 D N 1.473 121.938 120.400 0.109 0.000 2.740 328 D HA 0.058 4.720 4.640 0.038 0.000 0.301 328 D C -0.610 175.772 176.300 0.136 0.000 1.408 328 D CA -0.462 53.595 54.000 0.095 0.000 0.808 328 D CB -0.290 40.540 40.800 0.050 0.000 1.128 328 D HN 0.292 nan 8.370 nan 0.000 0.465 329 W N 2.037 123.338 121.300 0.003 0.000 2.303 329 W HA 0.521 5.203 4.660 0.036 0.000 0.318 329 W C -1.173 175.350 176.519 0.007 0.000 1.362 329 W CA -0.221 57.128 57.345 0.007 0.000 1.234 329 W CB 0.956 30.422 29.460 0.009 0.000 1.248 329 W HN 0.126 nan 8.180 nan 0.000 0.546 330 A N 5.258 128.068 122.820 -0.018 0.000 2.556 330 A HA 0.642 4.985 4.320 0.038 0.000 0.294 330 A C -1.306 176.223 177.584 -0.091 0.000 1.091 330 A CA -0.658 51.403 52.037 0.040 0.000 0.704 330 A CB 1.550 20.557 19.000 0.012 0.000 1.300 330 A HN 0.768 nan 8.150 nan 0.000 0.406 331 V N 0.225 120.149 119.914 0.017 0.000 2.284 331 V HA 0.648 4.790 4.120 0.038 0.000 0.274 331 V C -2.529 173.559 176.094 -0.010 0.000 1.023 331 V CA -1.596 60.704 62.300 -0.001 0.000 0.808 331 V CB 0.328 32.211 31.823 0.100 0.000 1.035 331 V HN 0.707 nan 8.190 nan 0.000 0.445 332 P HA 0.275 nan 4.420 nan 0.000 0.275 332 P C 0.687 177.977 177.300 -0.016 0.000 1.228 332 P CA -0.464 62.618 63.100 -0.030 0.000 0.786 332 P CB 1.679 33.351 31.700 -0.047 0.000 0.927 333 K N 2.091 122.487 120.400 -0.007 0.000 2.127 333 K HA -0.252 4.091 4.320 0.038 0.000 0.208 333 K C 1.870 178.467 176.600 -0.005 0.000 1.047 333 K CA 1.956 58.243 56.287 -0.001 0.000 0.927 333 K CB -0.083 32.417 32.500 0.000 0.000 0.716 333 K HN 0.399 nan 8.250 nan 0.000 0.450 334 K N 0.204 120.596 120.400 -0.013 0.000 2.032 334 K HA -0.239 4.104 4.320 0.038 0.000 0.218 334 K C 1.851 178.440 176.600 -0.018 0.000 1.054 334 K CA 2.015 58.291 56.287 -0.017 0.000 0.941 334 K CB -0.387 32.098 32.500 -0.026 0.000 0.720 334 K HN 0.240 nan 8.250 nan 0.000 0.449 335 A N 1.014 123.818 122.820 -0.026 0.000 2.070 335 A HA -0.113 4.230 4.320 0.038 0.000 0.220 335 A C 1.873 179.455 177.584 -0.003 0.000 1.159 335 A CA 1.249 53.271 52.037 -0.026 0.000 0.656 335 A CB -0.418 18.552 19.000 -0.051 0.000 0.800 335 A HN 0.393 nan 8.150 nan 0.000 0.453 336 R N -0.227 120.276 120.500 0.004 0.000 2.276 336 R HA 0.031 4.393 4.340 0.038 0.000 0.203 336 R C 1.019 177.328 176.300 0.015 0.000 1.017 336 R CA 0.864 56.974 56.100 0.017 0.000 1.010 336 R CB -0.593 29.719 30.300 0.019 0.000 0.900 336 R HN 0.466 nan 8.270 nan 0.000 0.469 337 K N 1.010 121.414 120.400 0.007 0.000 2.436 337 K HA 0.263 4.605 4.320 0.038 0.000 0.275 337 K C 1.067 177.672 176.600 0.009 0.000 0.999 337 K CA 0.475 56.765 56.287 0.006 0.000 0.980 337 K CB -0.388 32.111 32.500 -0.001 0.000 0.919 337 K HN 0.330 nan 8.250 nan 0.000 0.484 338 G N -0.285 108.521 108.800 0.010 0.000 2.268 338 G HA2 -0.161 3.821 3.960 0.038 0.000 0.240 338 G HA3 -0.161 3.821 3.960 0.038 0.000 0.240 338 G C -0.015 174.905 174.900 0.034 0.000 1.010 338 G CA 0.331 45.439 45.100 0.013 0.000 0.618 338 G HN 0.751 nan 8.290 nan 0.000 0.516 339 L N 1.922 123.168 121.223 0.038 0.000 2.360 339 L HA 0.741 5.104 4.340 0.038 0.000 0.271 339 L C 1.252 178.153 176.870 0.052 0.000 1.057 339 L CA -0.140 54.732 54.840 0.054 0.000 0.803 339 L CB 1.538 43.624 42.059 0.046 0.000 1.207 339 L HN 0.525 nan 8.230 nan 0.000 0.445 340 S N 0.127 115.864 115.700 0.062 0.000 2.671 340 S HA 0.274 4.767 4.470 0.038 0.000 0.272 340 S C 1.009 175.631 174.600 0.036 0.000 1.174 340 S CA -0.281 57.950 58.200 0.052 0.000 1.004 340 S CB 0.658 63.895 63.200 0.061 0.000 1.077 340 S HN 0.612 nan 8.310 nan 0.000 0.553 341 E N 0.587 120.804 120.200 0.028 0.000 2.038 341 E HA -0.179 4.193 4.350 0.038 0.000 0.195 341 E C 1.982 178.592 176.600 0.017 0.000 1.000 341 E CA 1.925 58.338 56.400 0.021 0.000 0.803 341 E CB -0.264 29.445 29.700 0.016 0.000 0.750 341 E HN 0.771 nan 8.360 nan 0.000 0.448 342 E N -0.184 120.023 120.200 0.012 0.000 2.110 342 E HA -0.246 4.126 4.350 0.038 0.000 0.193 342 E C 2.278 178.881 176.600 0.005 0.000 0.988 342 E CA 1.271 57.672 56.400 0.002 0.000 0.804 342 E CB -0.074 29.622 29.700 -0.006 0.000 0.745 342 E HN 0.395 nan 8.360 nan 0.000 0.458 343 Q N 0.305 120.115 119.800 0.016 0.000 2.020 343 Q HA -0.045 4.318 4.340 0.038 0.000 0.198 343 Q C 2.304 178.323 176.000 0.031 0.000 0.974 343 Q CA 1.082 56.898 55.803 0.023 0.000 0.829 343 Q CB -0.173 28.587 28.738 0.038 0.000 0.894 343 Q HN 0.215 nan 8.270 nan 0.000 0.433 344 A N 1.415 124.256 122.820 0.036 0.000 1.948 344 A HA -0.283 4.059 4.320 0.038 0.000 0.220 344 A C 2.263 179.874 177.584 0.046 0.000 1.177 344 A CA 2.032 54.095 52.037 0.043 0.000 0.636 344 A CB -0.980 18.043 19.000 0.038 0.000 0.815 344 A HN 0.485 nan 8.150 nan 0.000 0.449 345 S N -0.247 115.470 115.700 0.029 0.000 2.400 345 S HA -0.156 4.337 4.470 0.038 0.000 0.232 345 S C 1.720 176.331 174.600 0.019 0.000 1.025 345 S CA 1.556 59.768 58.200 0.020 0.000 0.993 345 S CB -1.050 62.150 63.200 -0.000 0.000 0.808 345 S HN 0.346 nan 8.310 nan 0.000 0.478 346 V N 1.503 121.429 119.914 0.020 0.000 2.392 346 V HA -0.155 3.987 4.120 0.038 0.000 0.249 346 V C 2.555 178.687 176.094 0.062 0.000 1.059 346 V CA 1.762 64.073 62.300 0.018 0.000 1.051 346 V CB -0.954 30.882 31.823 0.022 0.000 0.658 346 V HN 0.387 nan 8.190 nan 0.000 0.455 347 L N -0.093 121.202 121.223 0.119 0.000 2.046 347 L HA -0.142 4.220 4.340 0.038 0.000 0.208 347 L C 2.218 179.249 176.870 0.268 0.000 1.077 347 L CA 1.858 56.845 54.840 0.246 0.000 0.747 347 L CB -0.960 41.227 42.059 0.212 0.000 0.896 347 L HN 0.327 nan 8.230 nan 0.000 0.432 348 D N -1.006 119.485 120.400 0.152 0.000 2.084 348 D HA -0.227 4.435 4.640 0.038 0.000 0.194 348 D C 2.155 178.487 176.300 0.053 0.000 0.990 348 D CA 1.012 55.084 54.000 0.121 0.000 0.826 348 D CB -0.033 40.809 40.800 0.071 0.000 0.971 348 D HN 0.237 nan 8.370 nan 0.000 0.453 349 Q N 0.474 120.268 119.800 -0.010 0.000 2.152 349 Q HA -0.068 4.294 4.340 0.038 0.000 0.206 349 Q C 2.165 178.110 176.000 -0.092 0.000 0.985 349 Q CA 0.896 56.641 55.803 -0.098 0.000 0.863 349 Q CB -0.353 28.294 28.738 -0.152 0.000 0.904 349 Q HN 0.311 nan 8.270 nan 0.000 0.422 350 L N -0.795 120.324 121.223 -0.173 0.000 2.395 350 L HA 0.005 4.368 4.340 0.038 0.000 0.218 350 L C 2.084 178.479 176.870 -0.791 0.000 1.130 350 L CA 0.487 55.061 54.840 -0.444 0.000 0.826 350 L CB -0.465 41.250 42.059 -0.573 0.000 0.941 350 L HN 0.242 nan 8.230 nan 0.000 0.451 351 A N 0.255 122.745 122.820 -0.551 0.000 1.902 351 A HA -0.129 4.214 4.320 0.038 0.000 0.217 351 A C 2.241 179.684 177.584 -0.236 0.000 1.181 351 A CA 1.900 53.671 52.037 -0.443 0.000 0.623 351 A CB -0.853 18.188 19.000 0.069 0.000 0.818 351 A HN 0.419 nan 8.150 nan 0.000 0.443 352 G N -2.406 106.346 108.800 -0.080 0.000 2.887 352 G HA2 0.373 4.356 3.960 0.038 0.000 0.211 352 G HA3 0.373 4.356 3.960 0.038 0.000 0.211 352 G C 0.041 174.691 174.900 -0.417 0.000 1.152 352 G CA 0.090 45.084 45.100 -0.178 0.000 0.769 352 G HN 0.599 nan 8.290 nan 0.000 0.541 353 H N -1.447 117.506 119.070 -0.194 0.000 2.679 353 H HA 0.487 5.066 4.556 0.038 0.000 0.360 353 H C 0.701 175.918 175.328 -0.186 0.000 1.105 353 H CA -0.804 55.149 56.048 -0.158 0.000 1.196 353 H CB 1.929 31.612 29.762 -0.131 0.000 1.636 353 H HN -0.109 nan 8.280 nan 0.000 0.531 354 R N 1.180 121.649 120.500 -0.052 0.000 2.153 354 R HA 0.147 4.510 4.340 0.038 0.000 0.218 354 R C -0.134 176.128 176.300 -0.064 0.000 1.072 354 R CA 0.658 56.712 56.100 -0.077 0.000 0.990 354 R CB 0.504 30.764 30.300 -0.067 0.000 0.889 354 R HN 0.366 nan 8.270 nan 0.000 0.452 355 L N 1.490 122.691 121.223 -0.036 0.000 2.372 355 L HA 0.436 4.798 4.340 0.038 0.000 0.274 355 L C -1.517 175.322 176.870 -0.052 0.000 0.988 355 L CA -0.653 54.159 54.840 -0.046 0.000 0.833 355 L CB 1.962 43.996 42.059 -0.041 0.000 1.236 355 L HN -0.190 nan 8.230 nan 0.000 0.410 356 V N 4.958 124.831 119.914 -0.068 0.000 2.760 356 V HA 0.498 4.641 4.120 0.038 0.000 0.309 356 V C -0.377 175.676 176.094 -0.068 0.000 1.077 356 V CA -0.654 61.596 62.300 -0.082 0.000 0.910 356 V CB 2.508 34.272 31.823 -0.099 0.000 1.008 356 V HN 0.419 nan 8.190 nan 0.000 0.424 357 V N 5.019 124.892 119.914 -0.069 0.000 2.513 357 V HA 0.580 4.722 4.120 0.038 0.000 0.299 357 V C -0.704 175.358 176.094 -0.054 0.000 1.035 357 V CA -0.652 61.614 62.300 -0.057 0.000 0.889 357 V CB 1.798 33.587 31.823 -0.056 0.000 0.988 357 V HN 0.641 nan 8.190 nan 0.000 0.440 358 L N 5.401 126.597 121.223 -0.044 0.000 2.372 358 L HA 0.808 5.170 4.340 0.038 0.000 0.273 358 L C -0.000 176.847 176.870 -0.038 0.000 0.989 358 L CA 0.260 55.077 54.840 -0.039 0.000 0.841 358 L CB 1.612 43.654 42.059 -0.028 0.000 1.225 358 L HN 0.913 nan 8.230 nan 0.000 0.414 359 T N 1.281 115.809 114.554 -0.043 0.000 2.926 359 T HA 1.030 5.403 4.350 0.038 0.000 0.289 359 T C -0.125 174.547 174.700 -0.047 0.000 1.054 359 T CA -0.380 61.693 62.100 -0.045 0.000 1.015 359 T CB 1.930 70.765 68.868 -0.054 0.000 1.167 359 T HN 1.425 nan 8.240 nan 0.000 0.526 360 G N -0.975 107.798 108.800 -0.045 0.000 2.337 360 G HA2 0.488 4.471 3.960 0.038 0.000 0.310 360 G HA3 0.488 4.471 3.960 0.038 0.000 0.310 360 G C -0.299 174.591 174.900 -0.017 0.000 1.534 360 G CA -0.293 44.780 45.100 -0.046 0.000 0.982 360 G HN 1.097 nan 8.290 nan 0.000 0.672 361 G N -0.126 108.674 108.800 -0.000 0.000 2.532 361 G HA2 0.661 4.643 3.960 0.038 0.000 0.291 361 G HA3 0.661 4.643 3.960 0.038 0.000 0.291 361 G C -0.667 174.260 174.900 0.045 0.000 1.349 361 G CA -0.486 44.659 45.100 0.075 0.000 1.038 361 G HN 0.503 nan 8.290 nan 0.000 0.518 362 P HA -0.132 nan 4.420 nan 0.000 0.219 362 P C 1.506 178.796 177.300 -0.016 0.000 1.161 362 P CA 2.147 65.257 63.100 0.017 0.000 0.909 362 P CB 0.051 31.755 31.700 0.007 0.000 0.793 363 G N -2.168 106.613 108.800 -0.032 0.000 3.702 363 G HA2 0.144 4.126 3.960 0.038 0.000 0.288 363 G HA3 0.144 4.126 3.960 0.038 0.000 0.288 363 G C 0.711 175.374 174.900 -0.395 0.000 1.193 363 G CA 0.428 45.455 45.100 -0.122 0.000 0.952 363 G HN 0.345 nan 8.290 nan 0.000 0.544 364 T N -4.436 109.919 114.554 -0.331 0.000 3.001 364 T HA 0.378 4.751 4.350 0.038 0.000 0.251 364 T C 1.648 176.119 174.700 -0.382 0.000 1.040 364 T CA 0.898 62.778 62.100 -0.366 0.000 0.985 364 T CB 0.472 69.244 68.868 -0.160 0.000 1.011 364 T HN 1.167 nan 8.240 nan 0.000 0.509 365 G N 2.106 110.734 108.800 -0.286 0.000 2.140 365 G HA2 -0.242 3.740 3.960 0.038 0.000 0.211 365 G HA3 -0.242 3.740 3.960 0.038 0.000 0.211 365 G C 0.700 175.607 174.900 0.012 0.000 1.013 365 G CA 0.249 45.321 45.100 -0.047 0.000 0.705 365 G HN 0.496 nan 8.290 nan 0.000 0.508 366 K N 0.185 120.576 120.400 -0.015 0.000 2.152 366 K HA -0.086 4.256 4.320 0.038 0.000 0.206 366 K C 2.540 179.151 176.600 0.018 0.000 1.048 366 K CA 1.585 57.871 56.287 -0.002 0.000 0.933 366 K CB -0.164 32.329 32.500 -0.011 0.000 0.721 366 K HN 0.429 nan 8.250 nan 0.000 0.447 367 S N 0.560 116.278 115.700 0.031 0.000 2.345 367 S HA -0.100 4.392 4.470 0.038 0.000 0.220 367 S C 2.096 176.721 174.600 0.041 0.000 1.031 367 S CA 1.745 59.965 58.200 0.033 0.000 0.996 367 S CB -0.369 62.855 63.200 0.039 0.000 0.882 367 S HN 0.364 nan 8.310 nan 0.000 0.445 368 T N 2.229 116.822 114.554 0.065 0.000 2.720 368 T HA -0.115 4.258 4.350 0.038 0.000 0.268 368 T C 2.033 176.762 174.700 0.050 0.000 1.037 368 T CA 1.812 63.948 62.100 0.060 0.000 1.144 368 T CB -0.983 67.937 68.868 0.086 0.000 0.864 368 T HN 0.416 nan 8.240 nan 0.000 0.444 369 T N 2.134 116.720 114.554 0.052 0.000 2.684 369 T HA -0.146 4.226 4.350 0.038 0.000 0.267 369 T C 2.303 177.026 174.700 0.038 0.000 1.036 369 T CA 1.835 63.961 62.100 0.043 0.000 1.148 369 T CB -0.861 68.027 68.868 0.032 0.000 0.863 369 T HN 0.440 nan 8.240 nan 0.000 0.436 370 T N 1.562 116.133 114.554 0.029 0.000 2.708 370 T HA -0.070 4.303 4.350 0.038 0.000 0.266 370 T C 1.959 176.675 174.700 0.027 0.000 1.037 370 T CA 1.285 63.400 62.100 0.025 0.000 1.146 370 T CB -0.206 68.668 68.868 0.011 0.000 0.865 370 T HN 0.412 nan 8.240 nan 0.000 0.435 371 K N 1.195 121.609 120.400 0.023 0.000 2.044 371 K HA -0.123 4.220 4.320 0.038 0.000 0.210 371 K C 2.481 179.094 176.600 0.021 0.000 1.049 371 K CA 1.417 57.715 56.287 0.018 0.000 0.927 371 K CB -0.374 32.135 32.500 0.016 0.000 0.713 371 K HN 0.284 nan 8.250 nan 0.000 0.443 372 A N 0.529 123.366 122.820 0.027 0.000 1.940 372 A HA -0.118 4.225 4.320 0.038 0.000 0.219 372 A C 2.226 179.833 177.584 0.037 0.000 1.176 372 A CA 1.703 53.755 52.037 0.025 0.000 0.631 372 A CB -0.585 18.435 19.000 0.033 0.000 0.814 372 A HN 0.195 nan 8.150 nan 0.000 0.446 373 V N -0.174 119.778 119.914 0.064 0.000 2.261 373 V HA -0.254 3.888 4.120 0.038 0.000 0.246 373 V C 3.082 179.231 176.094 0.092 0.000 1.047 373 V CA 1.941 64.310 62.300 0.116 0.000 1.015 373 V CB -1.352 30.546 31.823 0.126 0.000 0.642 373 V HN 0.626 nan 8.190 nan 0.000 0.446 374 A N 0.089 122.943 122.820 0.056 0.000 1.892 374 A HA -0.319 4.023 4.320 0.038 0.000 0.218 374 A C 1.982 179.571 177.584 0.008 0.000 1.188 374 A CA 2.389 54.447 52.037 0.034 0.000 0.631 374 A CB -0.784 18.226 19.000 0.018 0.000 0.822 374 A HN 0.564 nan 8.150 nan 0.000 0.447 375 D N -0.320 120.077 120.400 -0.005 0.000 2.084 375 D HA -0.138 4.525 4.640 0.038 0.000 0.194 375 D C 1.963 178.220 176.300 -0.072 0.000 0.990 375 D CA 1.101 55.083 54.000 -0.030 0.000 0.826 375 D CB -0.493 40.292 40.800 -0.025 0.000 0.971 375 D HN 0.395 nan 8.370 nan 0.000 0.453 376 L N 0.542 121.704 121.223 -0.101 0.000 1.994 376 L HA -0.212 4.151 4.340 0.038 0.000 0.208 376 L C 2.290 178.959 176.870 -0.334 0.000 1.071 376 L CA 1.625 56.328 54.840 -0.228 0.000 0.745 376 L CB -0.414 41.482 42.059 -0.272 0.000 0.892 376 L HN -0.013 nan 8.230 nan 0.000 0.431 377 A N -0.150 122.504 122.820 -0.276 0.000 1.869 377 A HA -0.310 4.032 4.320 0.038 0.000 0.218 377 A C 2.018 179.538 177.584 -0.107 0.000 1.203 377 A CA 2.234 54.154 52.037 -0.195 0.000 0.638 377 A CB -0.799 18.264 19.000 0.104 0.000 0.831 377 A HN 0.603 nan 8.150 nan 0.000 0.450 378 E N -0.033 120.135 120.200 -0.054 0.000 2.204 378 E HA -0.138 4.235 4.350 0.038 0.000 0.195 378 E C 2.287 178.855 176.600 -0.054 0.000 0.990 378 E CA 1.196 57.578 56.400 -0.029 0.000 0.821 378 E CB -0.175 29.520 29.700 -0.008 0.000 0.750 378 E HN 0.833 nan 8.360 nan 0.000 0.477 379 S N 0.601 116.247 115.700 -0.090 0.000 2.447 379 S HA -0.091 4.401 4.470 0.038 0.000 0.233 379 S C 1.793 176.330 174.600 -0.105 0.000 1.006 379 S CA 0.650 58.793 58.200 -0.094 0.000 0.957 379 S CB -0.244 62.889 63.200 -0.113 0.000 0.773 379 S HN 0.180 nan 8.310 nan 0.000 0.507 380 L N 1.023 122.162 121.223 -0.140 0.000 2.591 380 L HA 0.380 4.743 4.340 0.038 0.000 0.228 380 L C 1.863 178.704 176.870 -0.048 0.000 1.133 380 L CA 0.352 55.120 54.840 -0.121 0.000 0.880 380 L CB -0.460 41.479 42.059 -0.200 0.000 1.033 380 L HN 0.564 nan 8.230 nan 0.000 0.450 381 G N -0.133 108.647 108.800 -0.032 0.000 2.175 381 G HA2 -0.247 3.735 3.960 0.038 0.000 0.244 381 G HA3 -0.247 3.735 3.960 0.038 0.000 0.244 381 G C 0.299 175.210 174.900 0.018 0.000 0.982 381 G CA -0.330 44.767 45.100 -0.005 0.000 0.641 381 G HN 0.189 nan 8.290 nan 0.000 0.527 382 L N 0.986 122.227 121.223 0.031 0.000 2.426 382 L HA 0.377 4.739 4.340 0.038 0.000 0.271 382 L C 0.280 177.198 176.870 0.079 0.000 1.169 382 L CA -0.337 54.547 54.840 0.074 0.000 0.836 382 L CB 0.571 42.706 42.059 0.127 0.000 1.112 382 L HN 0.059 nan 8.230 nan 0.000 0.465 383 E N 2.944 123.204 120.200 0.100 0.000 2.130 383 E HA 0.274 4.647 4.350 0.038 0.000 0.284 383 E C -0.858 175.887 176.600 0.242 0.000 1.018 383 E CA -0.335 56.148 56.400 0.137 0.000 0.817 383 E CB 1.918 31.667 29.700 0.081 0.000 1.078 383 E HN 0.199 nan 8.360 nan 0.000 0.396 384 V N 2.356 122.393 119.914 0.205 0.000 2.370 384 V HA 0.454 4.597 4.120 0.038 0.000 0.283 384 V C 0.616 176.692 176.094 -0.030 0.000 1.023 384 V CA -0.844 61.525 62.300 0.114 0.000 0.857 384 V CB 1.752 33.611 31.823 0.061 0.000 0.985 384 V HN 0.678 nan 8.190 nan 0.000 0.443 385 G N 4.921 113.486 108.800 -0.393 0.000 2.322 385 G HA2 0.629 4.612 3.960 0.038 0.000 0.309 385 G HA3 0.629 4.612 3.960 0.038 0.000 0.309 385 G C -1.118 173.523 174.900 -0.433 0.000 1.121 385 G CA -0.360 44.170 45.100 -0.950 0.000 0.886 385 G HN 0.479 nan 8.290 nan 0.000 0.447 386 L N 2.242 123.291 121.223 -0.290 0.000 2.322 386 L HA 0.677 5.039 4.340 0.038 0.000 0.281 386 L C 0.378 177.159 176.870 -0.148 0.000 1.014 386 L CA -0.431 54.310 54.840 -0.166 0.000 0.815 386 L CB 1.592 43.592 42.059 -0.097 0.000 1.247 386 L HN 0.842 nan 8.230 nan 0.000 0.421 387 C N 1.055 120.284 119.300 -0.118 0.000 3.318 387 C HA 1.043 5.526 4.460 0.038 0.000 0.322 387 C C -0.627 174.325 174.990 -0.064 0.000 1.398 387 C CA -0.671 58.294 59.018 -0.088 0.000 1.339 387 C CB 1.279 28.966 27.740 -0.089 0.000 1.668 387 C HN 1.121 nan 8.230 nan 0.000 0.462 388 A N 0.500 123.291 122.820 -0.048 0.000 2.609 388 A HA 0.941 5.284 4.320 0.038 0.000 0.291 388 A C -2.723 174.854 177.584 -0.012 0.000 1.096 388 A CA -1.049 50.966 52.037 -0.036 0.000 0.684 388 A CB 0.768 19.742 19.000 -0.043 0.000 1.282 388 A HN 0.527 nan 8.150 nan 0.000 0.412 389 P HA 0.013 nan 4.420 nan 0.000 0.221 389 P C 0.724 178.050 177.300 0.042 0.000 1.150 389 P CA 1.847 64.971 63.100 0.040 0.000 0.800 389 P CB -0.011 31.710 31.700 0.036 0.000 0.787 390 T N -5.592 108.962 114.554 -0.000 0.000 2.942 390 T HA 0.584 4.957 4.350 0.038 0.000 0.289 390 T C 1.488 176.123 174.700 -0.108 0.000 1.044 390 T CA -0.314 61.770 62.100 -0.026 0.000 1.023 390 T CB 1.438 70.303 68.868 -0.004 0.000 1.123 390 T HN -0.050 nan 8.240 nan 0.000 0.512 391 G N 0.163 108.856 108.800 -0.178 0.000 2.421 391 G HA2 -0.016 3.967 3.960 0.038 0.000 0.216 391 G HA3 -0.016 3.967 3.960 0.038 0.000 0.216 391 G C 1.735 176.216 174.900 -0.697 0.000 1.171 391 G CA 1.186 46.026 45.100 -0.434 0.000 0.775 391 G HN 1.083 nan 8.290 nan 0.000 0.543 392 K N 0.921 121.011 120.400 -0.517 0.000 2.026 392 K HA 0.279 4.621 4.320 0.038 0.000 0.208 392 K C 2.814 179.327 176.600 -0.145 0.000 1.048 392 K CA 1.923 58.063 56.287 -0.246 0.000 0.929 392 K CB -1.179 31.439 32.500 0.196 0.000 0.713 392 K HN 0.577 nan 8.250 nan 0.000 0.439 393 A N 1.116 123.876 122.820 -0.099 0.000 1.883 393 A HA 0.176 4.519 4.320 0.038 0.000 0.217 393 A C 2.819 180.350 177.584 -0.088 0.000 1.186 393 A CA 2.501 54.498 52.037 -0.067 0.000 0.624 393 A CB -1.048 17.927 19.000 -0.041 0.000 0.822 393 A HN 1.016 nan 8.150 nan 0.000 0.444 394 A N -0.060 122.687 122.820 -0.122 0.000 1.892 394 A HA -0.249 4.093 4.320 0.038 0.000 0.218 394 A C 2.287 179.798 177.584 -0.121 0.000 1.188 394 A CA 2.140 54.106 52.037 -0.118 0.000 0.631 394 A CB -0.597 18.323 19.000 -0.133 0.000 0.822 394 A HN 0.499 nan 8.150 nan 0.000 0.447 395 R N 0.356 120.745 120.500 -0.184 0.000 2.105 395 R HA -0.156 4.206 4.340 0.038 0.000 0.239 395 R C 2.185 178.455 176.300 -0.049 0.000 1.135 395 R CA 2.170 58.197 56.100 -0.122 0.000 0.967 395 R CB -0.647 29.560 30.300 -0.155 0.000 0.861 395 R HN 0.580 nan 8.270 nan 0.000 0.442 396 R N 0.293 120.764 120.500 -0.048 0.000 2.073 396 R HA 0.021 4.384 4.340 0.038 0.000 0.229 396 R C 2.590 178.874 176.300 -0.026 0.000 1.120 396 R CA 1.000 57.084 56.100 -0.026 0.000 0.967 396 R CB -0.418 29.866 30.300 -0.027 0.000 0.862 396 R HN 0.290 nan 8.270 nan 0.000 0.436 397 L N 0.182 121.383 121.223 -0.036 0.000 1.971 397 L HA -0.155 4.208 4.340 0.038 0.000 0.215 397 L C 2.213 179.068 176.870 -0.025 0.000 1.072 397 L CA 2.132 56.953 54.840 -0.031 0.000 0.758 397 L CB -1.049 40.985 42.059 -0.042 0.000 0.889 397 L HN 0.546 nan 8.230 nan 0.000 0.433 398 G N -0.882 107.900 108.800 -0.030 0.000 2.513 398 G HA2 -0.323 3.659 3.960 0.038 0.000 0.219 398 G HA3 -0.323 3.659 3.960 0.038 0.000 0.219 398 G C 1.333 176.227 174.900 -0.010 0.000 1.160 398 G CA 0.998 46.086 45.100 -0.021 0.000 0.767 398 G HN 0.511 nan 8.290 nan 0.000 0.571 399 E N -0.220 119.975 120.200 -0.008 0.000 2.058 399 E HA -0.134 4.238 4.350 0.038 0.000 0.194 399 E C 2.829 179.428 176.600 -0.001 0.000 0.997 399 E CA 1.663 58.063 56.400 -0.001 0.000 0.801 399 E CB -0.192 29.509 29.700 0.002 0.000 0.746 399 E HN 0.482 nan 8.360 nan 0.000 0.450 400 V N -1.923 117.989 119.914 -0.003 0.000 3.041 400 V HA -0.037 4.105 4.120 0.038 0.000 0.260 400 V C 1.980 178.075 176.094 0.002 0.000 1.105 400 V CA 1.824 64.125 62.300 0.001 0.000 1.125 400 V CB 0.080 31.905 31.823 0.003 0.000 0.730 400 V HN 0.123 nan 8.190 nan 0.000 0.479 401 T N -0.178 114.375 114.554 -0.002 0.000 3.057 401 T HA 0.317 4.689 4.350 0.038 0.000 0.254 401 T C 1.458 176.158 174.700 -0.000 0.000 1.094 401 T CA 1.156 63.255 62.100 -0.001 0.000 1.088 401 T CB -0.537 68.327 68.868 -0.007 0.000 0.934 401 T HN 1.430 nan 8.240 nan 0.000 0.497 402 G N 1.926 110.726 108.800 -0.000 0.000 2.176 402 G HA2 -0.223 3.760 3.960 0.038 0.000 0.252 402 G HA3 -0.223 3.760 3.960 0.038 0.000 0.252 402 G C 0.035 174.937 174.900 0.002 0.000 1.024 402 G CA 0.298 45.399 45.100 0.002 0.000 0.755 402 G HN 0.607 nan 8.290 nan 0.000 0.507 403 R N -1.470 119.030 120.500 -0.000 0.000 2.817 403 R HA 0.576 4.939 4.340 0.038 0.000 0.268 403 R C -0.543 175.756 176.300 -0.002 0.000 1.027 403 R CA -0.782 55.319 56.100 0.001 0.000 0.928 403 R CB 0.846 31.145 30.300 -0.002 0.000 1.228 403 R HN 0.080 nan 8.270 nan 0.000 0.469 404 T N 1.621 116.177 114.554 0.003 0.000 2.750 404 T HA 0.305 4.677 4.350 0.038 0.000 0.286 404 T C -0.317 174.373 174.700 -0.016 0.000 0.911 404 T CA 0.021 62.122 62.100 0.002 0.000 1.130 404 T CB 0.349 69.228 68.868 0.018 0.000 0.873 404 T HN 0.535 nan 8.240 nan 0.000 0.536 405 A N 3.582 126.385 122.820 -0.028 0.000 2.320 405 A HA 0.876 5.218 4.320 0.038 0.000 0.334 405 A C 0.305 177.859 177.584 -0.049 0.000 1.147 405 A CA -0.710 51.298 52.037 -0.049 0.000 0.820 405 A CB 1.230 20.198 19.000 -0.053 0.000 1.218 405 A HN 0.814 nan 8.150 nan 0.000 0.482 406 S N -0.121 115.546 115.700 -0.054 0.000 2.720 406 S HA 0.765 5.257 4.470 0.038 0.000 0.287 406 S C 0.012 174.592 174.600 -0.034 0.000 1.168 406 S CA 0.128 58.306 58.200 -0.038 0.000 0.832 406 S CB 0.758 63.958 63.200 -0.001 0.000 1.166 406 S HN 1.771 nan 8.310 nan 0.000 0.493 407 T N -0.455 114.094 114.554 -0.007 0.000 2.900 407 T HA 0.322 4.695 4.350 0.038 0.000 0.307 407 T C 1.423 176.163 174.700 0.066 0.000 1.065 407 T CA -0.215 61.903 62.100 0.030 0.000 1.105 407 T CB 0.390 69.296 68.868 0.064 0.000 0.979 407 T HN 0.651 nan 8.240 nan 0.000 0.544 408 V N 2.177 122.133 119.914 0.071 0.000 2.407 408 V HA -0.165 3.978 4.120 0.038 0.000 0.248 408 V C 2.494 178.633 176.094 0.076 0.000 1.055 408 V CA 2.053 64.366 62.300 0.023 0.000 1.049 408 V CB -1.265 30.531 31.823 -0.044 0.000 0.662 408 V HN 0.978 nan 8.190 nan 0.000 0.455 409 H N -0.145 118.994 119.070 0.115 0.000 2.319 409 H HA -0.152 4.427 4.556 0.037 0.000 0.299 409 H C 2.501 177.986 175.328 0.261 0.000 1.092 409 H CA 2.193 58.372 56.048 0.217 0.000 1.302 409 H CB -0.169 29.585 29.762 -0.013 0.000 1.373 409 H HN 0.245 nan 8.280 nan 0.000 0.497 410 R N 0.396 121.067 120.500 0.285 0.000 2.075 410 R HA -0.089 4.273 4.340 0.038 0.000 0.232 410 R C 2.244 178.674 176.300 0.216 0.000 1.126 410 R CA 1.058 57.292 56.100 0.223 0.000 0.963 410 R CB -0.363 30.022 30.300 0.142 0.000 0.858 410 R HN 0.342 nan 8.270 nan 0.000 0.435 411 L N 0.829 122.151 121.223 0.165 0.000 2.083 411 L HA -0.099 4.264 4.340 0.038 0.000 0.209 411 L C 1.483 178.483 176.870 0.217 0.000 1.083 411 L CA 1.290 56.216 54.840 0.143 0.000 0.752 411 L CB 0.034 42.105 42.059 0.020 0.000 0.899 411 L HN 0.245 nan 8.230 nan 0.000 0.433 412 L N -0.052 121.329 121.223 0.264 0.000 2.627 412 L HA 0.218 4.580 4.340 0.038 0.000 0.232 412 L C 1.195 178.386 176.870 0.535 0.000 1.150 412 L CA 0.364 55.429 54.840 0.376 0.000 0.917 412 L CB -0.778 41.428 42.059 0.245 0.000 1.104 412 L HN 0.480 nan 8.230 nan 0.000 0.445 413 G N -0.219 108.850 108.800 0.448 0.000 2.273 413 G HA2 -0.364 3.619 3.960 0.038 0.000 0.280 413 G HA3 -0.364 3.619 3.960 0.038 0.000 0.280 413 G C 0.059 175.107 174.900 0.245 0.000 1.047 413 G CA -0.102 45.181 45.100 0.305 0.000 0.869 413 G HN 0.362 nan 8.290 nan 0.000 0.502 414 Y N 0.522 120.922 120.300 0.166 0.000 2.597 414 Y HA 0.412 4.985 4.550 0.038 0.000 0.336 414 Y C 1.044 176.918 175.900 -0.043 0.000 1.216 414 Y CA 1.446 59.529 58.100 -0.029 0.000 1.463 414 Y CB 0.788 39.234 38.460 -0.023 0.000 1.303 414 Y HN 0.561 nan 8.280 nan 0.000 0.576 415 G N 4.319 112.716 108.800 -0.673 0.000 2.682 415 G HA2 0.313 4.296 3.960 0.038 0.000 0.303 415 G HA3 0.313 4.296 3.960 0.038 0.000 0.303 415 G C -2.487 172.010 174.900 -0.671 0.000 1.341 415 G CA -1.020 43.796 45.100 -0.473 0.000 0.784 415 G HN 0.310 nan 8.290 nan 0.000 0.497 416 P HA -0.060 nan 4.420 nan 0.000 0.218 416 P C 1.395 178.533 177.300 -0.268 0.000 1.148 416 P CA 1.006 63.944 63.100 -0.269 0.000 0.822 416 P CB 0.352 31.965 31.700 -0.145 0.000 0.784 417 Q N -0.761 118.889 119.800 -0.249 0.000 2.482 417 Q HA 0.250 4.613 4.340 0.038 0.000 0.209 417 Q C 0.879 176.752 176.000 -0.213 0.000 0.961 417 Q CA 0.710 56.401 55.803 -0.186 0.000 0.945 417 Q CB -0.474 28.183 28.738 -0.134 0.000 1.012 417 Q HN 0.223 nan 8.270 nan 0.000 0.515 418 G N -1.264 107.307 108.800 -0.382 0.000 2.396 418 G HA2 -0.194 3.788 3.960 0.038 0.000 0.254 418 G HA3 -0.194 3.788 3.960 0.038 0.000 0.254 418 G C -1.100 173.548 174.900 -0.420 0.000 1.248 418 G CA -0.729 44.150 45.100 -0.369 0.000 1.033 418 G HN 0.092 nan 8.290 nan 0.000 0.502 419 F N 1.671 121.646 119.950 0.041 0.000 2.445 419 F HA 0.523 5.072 4.527 0.036 0.000 0.359 419 F C 1.929 177.735 175.800 0.011 0.000 1.101 419 F CA 0.051 58.121 58.000 0.116 0.000 1.177 419 F CB 1.558 40.661 39.000 0.172 0.000 1.110 419 F HN 0.603 nan 8.300 nan 0.000 0.522 420 R N 1.939 122.511 120.500 0.120 0.000 2.096 420 R HA -0.090 4.273 4.340 0.038 0.000 0.235 420 R C 0.214 176.419 176.300 -0.159 0.000 1.127 420 R CA 1.021 57.069 56.100 -0.087 0.000 0.968 420 R CB -0.043 30.126 30.300 -0.219 0.000 0.861 420 R HN 0.534 nan 8.270 nan 0.000 0.440 421 H N 0.672 119.826 119.070 0.140 0.000 2.502 421 H HA 0.206 4.784 4.556 0.037 0.000 0.327 421 H C -0.240 175.125 175.328 0.061 0.000 1.099 421 H CA -0.186 55.910 56.048 0.081 0.000 1.323 421 H CB 1.522 31.335 29.762 0.085 0.000 1.450 421 H HN 0.424 nan 8.280 nan 0.000 0.502 422 N N -0.189 118.597 118.700 0.143 0.000 3.496 422 N HA -0.112 4.651 4.740 0.038 0.000 0.331 422 N C 0.903 176.454 175.510 0.068 0.000 1.532 422 N CA -0.588 52.520 53.050 0.097 0.000 0.863 422 N CB 0.232 38.775 38.487 0.092 0.000 1.927 422 N HN 0.549 nan 8.380 nan 0.000 0.529 423 H N -0.420 118.668 119.070 0.029 0.000 2.422 423 H HA 0.056 4.634 4.556 0.037 0.000 0.298 423 H C 1.170 176.512 175.328 0.025 0.000 1.098 423 H CA 1.470 57.529 56.048 0.019 0.000 1.315 423 H CB -0.236 29.529 29.762 0.006 0.000 1.382 423 H HN 0.426 nan 8.280 nan 0.000 0.523 424 L N 0.091 120.933 121.223 -0.634 0.000 2.072 424 L HA 0.028 4.390 4.340 0.038 0.000 0.205 424 L C 1.185 177.967 176.870 -0.146 0.000 1.079 424 L CA 1.180 55.782 54.840 -0.396 0.000 0.752 424 L CB 0.071 41.877 42.059 -0.421 0.000 0.906 424 L HN 0.258 nan 8.230 nan 0.000 0.436 425 E N 0.048 120.199 120.200 -0.082 0.000 2.873 425 E HA 0.246 4.618 4.350 0.038 0.000 0.232 425 E C -2.432 174.279 176.600 0.185 0.000 1.123 425 E CA -2.202 54.215 56.400 0.028 0.000 0.809 425 E CB 1.271 30.958 29.700 -0.022 0.000 1.366 425 E HN -0.053 nan 8.360 nan 0.000 0.400 426 P HA -0.021 nan 4.420 nan 0.000 0.268 426 P C -0.757 176.568 177.300 0.042 0.000 1.208 426 P CA -0.040 63.118 63.100 0.098 0.000 0.777 426 P CB 0.657 32.380 31.700 0.038 0.000 0.875 427 A N 4.209 126.961 122.820 -0.113 0.000 2.548 427 A HA 0.204 4.546 4.320 0.038 0.000 0.247 427 A C -1.753 175.669 177.584 -0.269 0.000 1.067 427 A CA -0.817 51.000 52.037 -0.367 0.000 0.757 427 A CB -1.080 17.902 19.000 -0.030 0.000 0.996 427 A HN 0.393 nan 8.150 nan 0.000 0.504 428 P HA 0.217 nan 4.420 nan 0.000 0.241 428 P C -1.426 175.422 177.300 -0.754 0.000 1.760 428 P CA 0.573 63.379 63.100 -0.490 0.000 1.081 428 P CB -0.644 30.805 31.700 -0.417 0.000 1.975 429 Y N 0.060 120.327 120.300 -0.054 0.000 2.396 429 Y HA 0.187 4.761 4.550 0.039 0.000 0.332 429 Y C 1.069 176.963 175.900 -0.010 0.000 1.034 429 Y CA -0.806 57.277 58.100 -0.029 0.000 1.057 429 Y CB 1.456 39.892 38.460 -0.040 0.000 1.220 429 Y HN -0.053 nan 8.280 nan 0.000 0.440 430 D N 1.651 122.143 120.400 0.154 0.000 2.224 430 D HA -0.017 4.645 4.640 0.038 0.000 0.205 430 D C -0.051 176.320 176.300 0.119 0.000 0.965 430 D CA 1.225 55.293 54.000 0.114 0.000 0.852 430 D CB 0.510 41.380 40.800 0.115 0.000 0.947 430 D HN 0.283 nan 8.370 nan 0.000 0.494 431 L N 0.227 121.534 121.223 0.140 0.000 2.464 431 L HA 0.372 4.735 4.340 0.038 0.000 0.266 431 L C -1.851 175.045 176.870 0.042 0.000 0.965 431 L CA -0.648 54.247 54.840 0.092 0.000 0.833 431 L CB 1.931 44.073 42.059 0.138 0.000 1.296 431 L HN -0.235 nan 8.230 nan 0.000 0.405 432 L N 5.931 127.148 121.223 -0.010 0.000 2.307 432 L HA 0.562 4.925 4.340 0.038 0.000 0.284 432 L C -0.667 176.162 176.870 -0.068 0.000 1.023 432 L CA -0.585 54.206 54.840 -0.082 0.000 0.810 432 L CB 1.768 43.779 42.059 -0.080 0.000 1.231 432 L HN 0.566 nan 8.230 nan 0.000 0.423 433 I N 4.155 124.672 120.570 -0.088 0.000 2.354 433 I HA 0.327 4.520 4.170 0.038 0.000 0.286 433 I C -0.536 175.537 176.117 -0.073 0.000 1.007 433 I CA -0.684 60.580 61.300 -0.061 0.000 1.167 433 I CB 1.911 39.886 38.000 -0.042 0.000 1.320 433 I HN 0.222 nan 8.210 nan 0.000 0.458 434 V N 4.811 124.689 119.914 -0.061 0.000 2.384 434 V HA 0.326 4.468 4.120 0.038 0.000 0.287 434 V C -0.297 175.771 176.094 -0.044 0.000 1.020 434 V CA -0.532 61.733 62.300 -0.058 0.000 0.850 434 V CB 1.795 33.583 31.823 -0.059 0.000 0.987 434 V HN 0.624 nan 8.190 nan 0.000 0.436 435 D N 2.677 123.053 120.400 -0.040 0.000 2.326 435 D HA 0.353 5.015 4.640 0.038 0.000 0.251 435 D C 0.443 176.728 176.300 -0.025 0.000 1.023 435 D CA -0.142 53.840 54.000 -0.030 0.000 0.966 435 D CB 1.074 41.857 40.800 -0.029 0.000 1.156 435 D HN 0.588 nan 8.370 nan 0.000 0.494 436 E N 0.735 120.924 120.200 -0.018 0.000 2.360 436 E HA -0.130 4.242 4.350 0.038 0.000 0.238 436 E C 0.996 177.590 176.600 -0.010 0.000 1.186 436 E CA 0.262 56.655 56.400 -0.011 0.000 0.719 436 E CB -1.674 28.021 29.700 -0.008 0.000 1.236 436 E HN 0.295 nan 8.360 nan 0.000 0.386 437 V N 0.040 119.944 119.914 -0.017 0.000 3.078 437 V HA -0.234 3.909 4.120 0.038 0.000 0.265 437 V C 2.513 178.599 176.094 -0.013 0.000 1.122 437 V CA 1.824 64.113 62.300 -0.019 0.000 1.141 437 V CB -0.450 31.357 31.823 -0.027 0.000 0.735 437 V HN 0.553 nan 8.190 nan 0.000 0.498 438 S N 0.446 116.140 115.700 -0.010 0.000 2.419 438 S HA -0.214 4.278 4.470 0.038 0.000 0.235 438 S C 1.760 176.362 174.600 0.003 0.000 1.019 438 S CA 1.641 59.837 58.200 -0.008 0.000 0.982 438 S CB -0.498 62.698 63.200 -0.006 0.000 0.789 438 S HN 0.616 nan 8.310 nan 0.000 0.490 439 M N 0.238 119.844 119.600 0.010 0.000 2.558 439 M HA 0.281 4.784 4.480 0.038 0.000 0.255 439 M C 0.448 176.765 176.300 0.027 0.000 1.113 439 M CA 0.383 55.698 55.300 0.025 0.000 1.097 439 M CB -0.356 32.264 32.600 0.032 0.000 1.426 439 M HN 0.293 nan 8.290 nan 0.000 0.488 440 M N 0.964 120.572 119.600 0.014 0.000 2.162 440 M HA 0.259 4.761 4.480 0.038 0.000 0.356 440 M C 0.688 176.995 176.300 0.012 0.000 1.303 440 M CA -0.320 54.987 55.300 0.011 0.000 1.116 440 M CB 0.892 33.487 32.600 -0.008 0.000 1.632 440 M HN 0.112 nan 8.290 nan 0.000 0.469 441 G N 1.544 110.358 108.800 0.023 0.000 2.547 441 G HA2 0.143 4.126 3.960 0.038 0.000 0.291 441 G HA3 0.143 4.126 3.960 0.038 0.000 0.291 441 G C 0.176 175.087 174.900 0.019 0.000 1.211 441 G CA -0.556 44.559 45.100 0.025 0.000 0.950 441 G HN 0.696 nan 8.290 nan 0.000 0.504 442 D N 0.172 120.588 120.400 0.027 0.000 2.092 442 D HA -0.160 4.503 4.640 0.038 0.000 0.193 442 D C 2.740 179.053 176.300 0.021 0.000 0.994 442 D CA 1.812 55.828 54.000 0.026 0.000 0.828 442 D CB -0.464 40.363 40.800 0.046 0.000 0.963 442 D HN 0.382 nan 8.370 nan 0.000 0.450 443 A N 0.943 123.790 122.820 0.045 0.000 1.873 443 A HA -0.182 4.160 4.320 0.038 0.000 0.218 443 A C 2.343 179.929 177.584 0.002 0.000 1.193 443 A CA 1.221 53.291 52.037 0.056 0.000 0.629 443 A CB -0.991 18.073 19.000 0.107 0.000 0.826 443 A HN 0.293 nan 8.150 nan 0.000 0.447 444 L N -1.742 119.475 121.223 -0.010 0.000 2.141 444 L HA -0.174 4.188 4.340 0.038 0.000 0.209 444 L C 2.682 179.473 176.870 -0.130 0.000 1.094 444 L CA 1.996 56.779 54.840 -0.096 0.000 0.763 444 L CB -0.265 41.759 42.059 -0.058 0.000 0.908 444 L HN 0.560 nan 8.230 nan 0.000 0.437 445 M N -0.354 119.202 119.600 -0.073 0.000 2.086 445 M HA -0.232 4.271 4.480 0.038 0.000 0.261 445 M C 1.962 178.209 176.300 -0.089 0.000 1.067 445 M CA 1.746 57.001 55.300 -0.074 0.000 1.116 445 M CB -0.562 32.012 32.600 -0.043 0.000 1.348 445 M HN 0.190 nan 8.290 nan 0.000 0.407 446 L N -0.346 120.834 121.223 -0.070 0.000 2.013 446 L HA -0.193 4.170 4.340 0.038 0.000 0.212 446 L C 2.181 178.980 176.870 -0.118 0.000 1.073 446 L CA 2.334 57.133 54.840 -0.068 0.000 0.753 446 L CB -1.425 40.616 42.059 -0.030 0.000 0.890 446 L HN 0.419 nan 8.230 nan 0.000 0.432 447 S N -0.550 115.027 115.700 -0.204 0.000 2.370 447 S HA -0.176 4.316 4.470 0.038 0.000 0.226 447 S C 1.820 176.219 174.600 -0.335 0.000 1.033 447 S CA 1.537 59.504 58.200 -0.389 0.000 1.011 447 S CB -0.589 62.096 63.200 -0.858 0.000 0.852 447 S HN 0.472 nan 8.310 nan 0.000 0.457 448 L N 1.843 122.904 121.223 -0.270 0.000 1.994 448 L HA 0.031 4.393 4.340 0.038 0.000 0.208 448 L C 1.975 178.779 176.870 -0.110 0.000 1.071 448 L CA 1.679 56.409 54.840 -0.183 0.000 0.745 448 L CB -0.635 41.335 42.059 -0.149 0.000 0.892 448 L HN 0.282 nan 8.230 nan 0.000 0.431 449 L N -0.767 120.400 121.223 -0.093 0.000 2.201 449 L HA -0.115 4.247 4.340 0.038 0.000 0.212 449 L C 2.603 179.448 176.870 -0.043 0.000 1.105 449 L CA 0.884 55.687 54.840 -0.062 0.000 0.775 449 L CB -0.975 41.049 42.059 -0.059 0.000 0.913 449 L HN 0.367 nan 8.230 nan 0.000 0.440 450 A N 0.328 123.120 122.820 -0.047 0.000 1.972 450 A HA -0.094 4.248 4.320 0.038 0.000 0.219 450 A C 2.330 179.933 177.584 0.033 0.000 1.169 450 A CA 1.644 53.679 52.037 -0.003 0.000 0.635 450 A CB -0.429 18.572 19.000 0.001 0.000 0.810 450 A HN 0.392 nan 8.150 nan 0.000 0.446 451 A N -0.760 122.063 122.820 0.005 0.000 2.251 451 A HA 0.447 4.790 4.320 0.038 0.000 0.209 451 A C 0.606 178.207 177.584 0.028 0.000 1.187 451 A CA 0.022 52.082 52.037 0.038 0.000 0.823 451 A CB -0.259 18.765 19.000 0.039 0.000 0.846 451 A HN 0.211 nan 8.150 nan 0.000 0.486 452 V N 2.499 122.419 119.914 0.011 0.000 2.470 452 V HA 0.165 4.307 4.120 0.038 0.000 0.276 452 V C -2.204 173.899 176.094 0.016 0.000 1.040 452 V CA -1.443 60.863 62.300 0.010 0.000 1.008 452 V CB 0.625 32.443 31.823 -0.008 0.000 0.990 452 V HN 0.249 nan 8.190 nan 0.000 0.477 453 P HA 0.136 nan 4.420 nan 0.000 0.267 453 P C -2.573 174.732 177.300 0.009 0.000 1.200 453 P CA -0.999 62.110 63.100 0.015 0.000 0.772 453 P CB -0.275 31.431 31.700 0.010 0.000 0.855 454 P HA 0.004 nan 4.420 nan 0.000 0.262 454 P C 1.092 178.389 177.300 -0.005 0.000 1.182 454 P CA 1.474 64.573 63.100 -0.000 0.000 0.761 454 P CB -0.051 31.651 31.700 0.003 0.000 0.795 455 G N 1.903 110.695 108.800 -0.015 0.000 2.234 455 G HA2 -0.244 3.739 3.960 0.038 0.000 0.260 455 G HA3 -0.244 3.739 3.960 0.038 0.000 0.260 455 G C 0.526 175.417 174.900 -0.016 0.000 0.987 455 G CA 0.133 45.222 45.100 -0.019 0.000 0.625 455 G HN 0.866 nan 8.290 nan 0.000 0.532 456 A N 0.080 122.896 122.820 -0.006 0.000 2.346 456 A HA 0.749 5.091 4.320 0.038 0.000 0.252 456 A C 0.775 178.348 177.584 -0.018 0.000 1.089 456 A CA 0.246 52.286 52.037 0.004 0.000 0.797 456 A CB 0.357 19.372 19.000 0.023 0.000 1.047 456 A HN 0.547 nan 8.150 nan 0.000 0.494 457 R N -0.672 119.817 120.500 -0.018 0.000 2.643 457 R HA 0.640 5.003 4.340 0.038 0.000 0.272 457 R C -1.413 174.864 176.300 -0.039 0.000 0.995 457 R CA -0.633 55.433 56.100 -0.057 0.000 1.032 457 R CB 1.701 31.935 30.300 -0.111 0.000 1.126 457 R HN 0.436 nan 8.270 nan 0.000 0.505 458 V N 2.785 122.665 119.914 -0.056 0.000 2.623 458 V HA 0.327 4.470 4.120 0.038 0.000 0.304 458 V C -0.681 175.379 176.094 -0.057 0.000 1.054 458 V CA -0.787 61.482 62.300 -0.050 0.000 0.882 458 V CB 2.009 33.802 31.823 -0.050 0.000 1.002 458 V HN 0.560 nan 8.190 nan 0.000 0.424 459 L N 5.712 126.907 121.223 -0.047 0.000 2.287 459 L HA 0.633 4.995 4.340 0.038 0.000 0.287 459 L C -1.140 175.704 176.870 -0.043 0.000 1.022 459 L CA -0.553 54.261 54.840 -0.043 0.000 0.814 459 L CB 1.392 43.437 42.059 -0.024 0.000 1.217 459 L HN 0.576 nan 8.230 nan 0.000 0.420 460 L N 5.921 127.118 121.223 -0.044 0.000 2.296 460 L HA 0.563 4.925 4.340 0.038 0.000 0.286 460 L C -0.486 176.362 176.870 -0.037 0.000 1.023 460 L CA -0.612 54.203 54.840 -0.042 0.000 0.812 460 L CB 1.968 44.000 42.059 -0.044 0.000 1.223 460 L HN 0.344 nan 8.230 nan 0.000 0.421 461 V N 2.931 122.825 119.914 -0.033 0.000 2.588 461 V HA 1.007 5.149 4.120 0.038 0.000 0.304 461 V C -0.251 175.828 176.094 -0.025 0.000 1.042 461 V CA 0.186 62.469 62.300 -0.028 0.000 0.877 461 V CB 1.693 33.503 31.823 -0.022 0.000 0.996 461 V HN 0.866 nan 8.190 nan 0.000 0.425 462 G N 3.936 112.721 108.800 -0.024 0.000 2.548 462 G HA2 0.480 4.462 3.960 0.038 0.000 0.301 462 G HA3 0.480 4.462 3.960 0.038 0.000 0.301 462 G C -2.143 172.747 174.900 -0.017 0.000 1.349 462 G CA -0.282 44.807 45.100 -0.018 0.000 0.792 462 G HN 0.758 nan 8.290 nan 0.000 0.481 463 D N -0.307 120.088 120.400 -0.008 0.000 2.505 463 D HA 0.412 5.074 4.640 0.038 0.000 0.250 463 D C 1.539 177.821 176.300 -0.029 0.000 1.164 463 D CA 0.108 54.105 54.000 -0.006 0.000 0.870 463 D CB 1.501 42.329 40.800 0.046 0.000 1.160 463 D HN 0.402 nan 8.370 nan 0.000 0.549 464 T N 0.168 114.682 114.554 -0.066 0.000 3.051 464 T HA -0.092 4.281 4.350 0.038 0.000 0.269 464 T C 0.813 175.434 174.700 -0.130 0.000 1.127 464 T CA 0.695 62.744 62.100 -0.085 0.000 1.107 464 T CB 0.138 68.950 68.868 -0.093 0.000 0.898 464 T HN 0.241 nan 8.240 nan 0.000 0.517 465 D N 0.774 121.054 120.400 -0.200 0.000 2.348 465 D HA 0.066 4.729 4.640 0.038 0.000 0.211 465 D C 1.030 177.221 176.300 -0.182 0.000 0.998 465 D CA 0.275 54.051 54.000 -0.373 0.000 0.873 465 D CB 0.038 40.301 40.800 -0.895 0.000 0.925 465 D HN 0.446 nan 8.370 nan 0.000 0.524 466 Q N 0.491 120.295 119.800 0.008 0.000 2.535 466 Q HA 0.155 4.518 4.340 0.038 0.000 0.228 466 Q C 0.759 176.763 176.000 0.008 0.000 1.062 466 Q CA -0.308 55.550 55.803 0.090 0.000 0.967 466 Q CB 0.962 29.744 28.738 0.075 0.000 1.273 466 Q HN 0.189 nan 8.270 nan 0.000 0.554 467 L N 2.944 124.158 121.223 -0.015 0.000 2.581 467 L HA -0.088 4.274 4.340 0.038 0.000 0.299 467 L C -1.671 175.182 176.870 -0.027 0.000 1.261 467 L CA -0.630 54.172 54.840 -0.064 0.000 0.866 467 L CB -0.363 41.572 42.059 -0.206 0.000 1.113 467 L HN 0.413 nan 8.230 nan 0.000 0.514 468 P HA 0.257 nan 4.420 nan 0.000 0.277 468 P C -2.640 174.680 177.300 0.034 0.000 1.271 468 P CA -1.617 61.486 63.100 0.005 0.000 0.795 468 P CB -0.274 31.426 31.700 -0.001 0.000 1.101 469 P HA 0.051 nan 4.420 nan 0.000 0.271 469 P C 1.158 178.493 177.300 0.059 0.000 1.218 469 P CA -0.058 63.070 63.100 0.046 0.000 0.780 469 P CB 0.293 32.011 31.700 0.029 0.000 0.901 470 V N 0.935 120.895 119.914 0.077 0.000 2.358 470 V HA -0.136 4.006 4.120 0.038 0.000 0.246 470 V C 0.897 177.004 176.094 0.022 0.000 1.047 470 V CA 1.788 64.118 62.300 0.050 0.000 1.035 470 V CB -0.762 31.086 31.823 0.042 0.000 0.658 470 V HN 0.594 nan 8.190 nan 0.000 0.452 471 D N -0.122 120.299 120.400 0.034 0.000 2.363 471 D HA 0.367 5.029 4.640 0.038 0.000 0.240 471 D C 0.250 176.560 176.300 0.017 0.000 1.236 471 D CA 0.503 54.522 54.000 0.032 0.000 0.927 471 D CB 0.745 41.577 40.800 0.053 0.000 1.150 471 D HN 0.322 nan 8.370 nan 0.000 0.458 472 A N -0.443 122.389 122.820 0.020 0.000 2.351 472 A HA 0.582 4.924 4.320 0.038 0.000 0.257 472 A C 0.734 178.330 177.584 0.020 0.000 1.087 472 A CA 0.559 52.600 52.037 0.006 0.000 0.798 472 A CB 0.151 19.161 19.000 0.018 0.000 1.033 472 A HN 0.790 nan 8.150 nan 0.000 0.488 473 G N -1.062 107.745 108.800 0.012 0.000 2.612 473 G HA2 0.171 4.153 3.960 0.038 0.000 0.686 473 G HA3 0.171 4.153 3.960 0.038 0.000 0.686 473 G C -0.793 174.114 174.900 0.011 0.000 1.274 473 G CA -0.330 44.785 45.100 0.026 0.000 0.849 473 G HN 1.373 nan 8.290 nan 0.000 0.595 474 L N 1.452 122.683 121.223 0.014 0.000 2.669 474 L HA 0.291 4.654 4.340 0.038 0.000 0.273 474 L C -1.242 175.628 176.870 0.000 0.000 1.441 474 L CA -1.285 53.556 54.840 0.002 0.000 0.745 474 L CB 1.821 43.878 42.059 -0.004 0.000 1.044 474 L HN 0.481 nan 8.230 nan 0.000 0.523 475 P HA -0.178 nan 4.420 nan 0.000 0.217 475 P C 1.658 178.948 177.300 -0.017 0.000 1.150 475 P CA 0.795 63.892 63.100 -0.005 0.000 0.832 475 P CB 0.697 32.393 31.700 -0.006 0.000 0.787 476 L N -0.665 120.546 121.223 -0.020 0.000 2.046 476 L HA -0.120 4.243 4.340 0.038 0.000 0.208 476 L C 2.294 179.145 176.870 -0.031 0.000 1.077 476 L CA 1.739 56.562 54.840 -0.028 0.000 0.747 476 L CB -1.592 40.450 42.059 -0.028 0.000 0.896 476 L HN -0.181 nan 8.230 nan 0.000 0.432 477 L N -0.202 121.004 121.223 -0.028 0.000 2.056 477 L HA -0.066 4.297 4.340 0.038 0.000 0.207 477 L C 2.699 179.553 176.870 -0.027 0.000 1.078 477 L CA 1.903 56.724 54.840 -0.031 0.000 0.749 477 L CB -1.783 40.258 42.059 -0.029 0.000 0.901 477 L HN 0.360 nan 8.230 nan 0.000 0.433 478 A N -0.933 121.876 122.820 -0.019 0.000 1.902 478 A HA -0.157 4.185 4.320 0.038 0.000 0.217 478 A C 2.331 179.897 177.584 -0.029 0.000 1.181 478 A CA 1.525 53.551 52.037 -0.018 0.000 0.623 478 A CB -0.692 18.305 19.000 -0.006 0.000 0.818 478 A HN 0.382 nan 8.150 nan 0.000 0.443 479 L N -0.894 120.310 121.223 -0.032 0.000 2.156 479 L HA -0.107 4.256 4.340 0.038 0.000 0.208 479 L C 2.967 179.810 176.870 -0.045 0.000 1.095 479 L CA 0.764 55.580 54.840 -0.039 0.000 0.770 479 L CB -0.388 41.648 42.059 -0.039 0.000 0.914 479 L HN 0.424 nan 8.230 nan 0.000 0.439 480 A N -0.698 122.096 122.820 -0.044 0.000 2.070 480 A HA -0.224 4.118 4.320 0.038 0.000 0.220 480 A C 2.139 179.694 177.584 -0.048 0.000 1.159 480 A CA 1.444 53.452 52.037 -0.049 0.000 0.656 480 A CB -0.265 18.705 19.000 -0.050 0.000 0.800 480 A HN 0.498 nan 8.150 nan 0.000 0.453 481 Q N -2.073 117.701 119.800 -0.044 0.000 2.384 481 Q HA 0.334 4.696 4.340 0.038 0.000 0.207 481 Q C 1.801 177.772 176.000 -0.048 0.000 0.904 481 Q CA 0.587 56.364 55.803 -0.042 0.000 0.933 481 Q CB 0.251 28.968 28.738 -0.035 0.000 1.077 481 Q HN 0.653 nan 8.270 nan 0.000 0.522 482 A N 0.007 122.796 122.820 -0.052 0.000 2.070 482 A HA 0.533 4.876 4.320 0.038 0.000 0.202 482 A C 0.850 178.402 177.584 -0.053 0.000 1.277 482 A CA 0.306 52.308 52.037 -0.058 0.000 0.872 482 A CB 0.301 19.265 19.000 -0.062 0.000 0.933 482 A HN 0.240 nan 8.150 nan 0.000 0.475 483 A N 0.547 123.335 122.820 -0.053 0.000 2.264 483 A HA 0.642 4.984 4.320 0.038 0.000 0.304 483 A C -2.698 174.841 177.584 -0.075 0.000 1.100 483 A CA -1.744 50.260 52.037 -0.056 0.000 0.839 483 A CB -0.350 18.616 19.000 -0.056 0.000 1.121 483 A HN 0.114 nan 8.150 nan 0.000 0.496 484 P HA 0.125 nan 4.420 nan 0.000 0.258 484 P C -0.352 176.873 177.300 -0.125 0.000 1.187 484 P CA 0.760 63.764 63.100 -0.160 0.000 0.767 484 P CB 0.119 31.634 31.700 -0.308 0.000 0.770 485 T N 1.266 115.759 114.554 -0.101 0.000 2.848 485 T HA 0.610 4.982 4.350 0.038 0.000 0.285 485 T C -0.382 174.273 174.700 -0.075 0.000 0.995 485 T CA -0.851 61.200 62.100 -0.081 0.000 0.970 485 T CB 0.583 69.410 68.868 -0.067 0.000 0.976 485 T HN -0.085 nan 8.240 nan 0.000 0.441 486 I N 3.004 123.535 120.570 -0.066 0.000 2.297 486 I HA 0.380 4.572 4.170 0.038 0.000 0.291 486 I C 0.448 176.535 176.117 -0.050 0.000 1.033 486 I CA -0.288 60.980 61.300 -0.054 0.000 1.253 486 I CB 1.246 39.219 38.000 -0.045 0.000 1.396 486 I HN 0.636 nan 8.210 nan 0.000 0.476 487 K N 7.317 127.687 120.400 -0.050 0.000 2.266 487 K HA 0.477 4.819 4.320 0.038 0.000 0.274 487 K C -0.901 175.669 176.600 -0.050 0.000 1.090 487 K CA -0.447 55.807 56.287 -0.053 0.000 0.925 487 K CB 0.433 32.898 32.500 -0.057 0.000 1.225 487 K HN 0.547 nan 8.250 nan 0.000 0.458 488 L N 3.885 125.077 121.223 -0.051 0.000 2.349 488 L HA 0.229 4.592 4.340 0.038 0.000 0.275 488 L C 1.276 178.109 176.870 -0.062 0.000 1.115 488 L CA -0.182 54.627 54.840 -0.053 0.000 0.820 488 L CB 1.308 43.332 42.059 -0.058 0.000 1.135 488 L HN 0.843 nan 8.230 nan 0.000 0.445 489 T N -1.940 112.581 114.554 -0.055 0.000 3.105 489 T HA 0.060 4.432 4.350 0.038 0.000 0.257 489 T C 0.603 175.285 174.700 -0.029 0.000 0.949 489 T CA -0.408 61.663 62.100 -0.049 0.000 0.959 489 T CB 0.042 68.886 68.868 -0.039 0.000 1.205 489 T HN 0.459 nan 8.240 nan 0.000 0.496 490 Q N 2.036 121.818 119.800 -0.030 0.000 2.255 490 Q HA 0.424 4.787 4.340 0.038 0.000 0.280 490 Q C -0.758 175.204 176.000 -0.063 0.000 1.068 490 Q CA -0.199 55.593 55.803 -0.018 0.000 0.911 490 Q CB 0.996 29.732 28.738 -0.003 0.000 1.157 490 Q HN 0.278 nan 8.270 nan 0.000 0.380 491 V N 3.969 123.873 119.914 -0.016 0.000 2.567 491 V HA 0.099 4.241 4.120 0.038 0.000 0.289 491 V C -0.244 175.855 176.094 0.009 0.000 1.049 491 V CA -0.528 61.741 62.300 -0.051 0.000 0.969 491 V CB 0.515 32.353 31.823 0.026 0.000 0.995 491 V HN 0.666 nan 8.190 nan 0.000 0.471 492 Y N 3.995 124.306 120.300 0.019 0.000 2.745 492 Y HA -0.038 4.533 4.550 0.035 0.000 0.335 492 Y C 1.787 177.686 175.900 -0.001 0.000 1.212 492 Y CA 0.081 58.186 58.100 0.008 0.000 1.535 492 Y CB 0.081 38.544 38.460 0.004 0.000 1.220 492 Y HN 0.622 nan 8.280 nan 0.000 0.531 493 R N 2.132 122.732 120.500 0.166 0.000 2.159 493 R HA -0.355 4.007 4.340 0.038 0.000 0.252 493 R C 1.649 177.983 176.300 0.057 0.000 1.144 493 R CA 2.584 58.732 56.100 0.080 0.000 0.961 493 R CB 0.000 30.334 30.300 0.055 0.000 0.877 493 R HN 0.798 nan 8.270 nan 0.000 0.444 494 Q N -0.506 119.330 119.800 0.060 0.000 2.014 494 Q HA -0.137 4.226 4.340 0.038 0.000 0.207 494 Q C 1.984 178.007 176.000 0.039 0.000 0.993 494 Q CA 2.293 58.117 55.803 0.035 0.000 0.850 494 Q CB -0.284 28.466 28.738 0.020 0.000 0.916 494 Q HN 0.492 nan 8.270 nan 0.000 0.417 495 A N -0.014 122.851 122.820 0.075 0.000 2.235 495 A HA 0.237 4.579 4.320 0.038 0.000 0.208 495 A C 2.020 179.602 177.584 -0.003 0.000 1.172 495 A CA 0.900 52.964 52.037 0.045 0.000 0.786 495 A CB -0.553 18.497 19.000 0.084 0.000 0.804 495 A HN 0.341 nan 8.150 nan 0.000 0.479 496 A N 0.169 122.993 122.820 0.008 0.000 2.067 496 A HA -0.074 4.269 4.320 0.038 0.000 0.219 496 A C 1.937 179.489 177.584 -0.052 0.000 1.158 496 A CA 1.414 53.435 52.037 -0.027 0.000 0.661 496 A CB -0.162 18.841 19.000 0.004 0.000 0.801 496 A HN 0.321 nan 8.150 nan 0.000 0.452 497 K N 0.553 120.931 120.400 -0.036 0.000 2.243 497 K HA 0.001 4.343 4.320 0.038 0.000 0.201 497 K C 0.562 177.125 176.600 -0.062 0.000 1.051 497 K CA -0.080 56.182 56.287 -0.042 0.000 0.970 497 K CB -0.697 31.788 32.500 -0.025 0.000 0.755 497 K HN 0.448 nan 8.250 nan 0.000 0.465 498 N N 3.471 122.130 118.700 -0.067 0.000 2.411 498 N HA -0.047 4.716 4.740 0.038 0.000 0.265 498 N C -1.666 173.778 175.510 -0.109 0.000 1.266 498 N CA -0.802 52.203 53.050 -0.074 0.000 0.889 498 N CB 1.129 39.577 38.487 -0.065 0.000 1.069 498 N HN -0.068 nan 8.380 nan 0.000 0.476 499 P HA -0.133 nan 4.420 nan 0.000 0.218 499 P C 1.498 178.693 177.300 -0.176 0.000 1.148 499 P CA 1.158 64.178 63.100 -0.133 0.000 0.822 499 P CB 0.373 32.003 31.700 -0.117 0.000 0.784 500 I N -0.462 120.014 120.570 -0.156 0.000 2.202 500 I HA -0.182 4.010 4.170 0.038 0.000 0.242 500 I C 2.610 178.604 176.117 -0.206 0.000 1.091 500 I CA 1.067 62.256 61.300 -0.185 0.000 1.368 500 I CB -0.638 37.294 38.000 -0.112 0.000 1.058 500 I HN -0.190 nan 8.210 nan 0.000 0.410 501 I N 0.641 121.096 120.570 -0.191 0.000 2.208 501 I HA -0.327 3.866 4.170 0.038 0.000 0.245 501 I C 2.536 178.427 176.117 -0.378 0.000 1.097 501 I CA 1.841 62.984 61.300 -0.263 0.000 1.363 501 I CB -1.089 36.754 38.000 -0.262 0.000 1.051 501 I HN 0.434 nan 8.210 nan 0.000 0.413 502 Q N 0.416 120.042 119.800 -0.290 0.000 2.050 502 Q HA -0.147 4.215 4.340 0.038 0.000 0.202 502 Q C 2.437 178.347 176.000 -0.150 0.000 0.980 502 Q CA 1.856 57.522 55.803 -0.228 0.000 0.840 502 Q CB -0.232 28.405 28.738 -0.169 0.000 0.898 502 Q HN 0.553 nan 8.270 nan 0.000 0.424 503 A N 1.046 123.744 122.820 -0.204 0.000 1.930 503 A HA -0.086 4.257 4.320 0.038 0.000 0.217 503 A C 2.290 179.801 177.584 -0.121 0.000 1.175 503 A CA 1.453 53.348 52.037 -0.237 0.000 0.627 503 A CB -0.712 18.034 19.000 -0.423 0.000 0.815 503 A HN 0.392 nan 8.150 nan 0.000 0.443 504 A N -0.792 121.970 122.820 -0.097 0.000 1.902 504 A HA -0.204 4.138 4.320 0.038 0.000 0.217 504 A C 1.961 179.740 177.584 0.325 0.000 1.181 504 A CA 1.594 53.651 52.037 0.034 0.000 0.623 504 A CB -0.991 17.927 19.000 -0.136 0.000 0.818 504 A HN 0.768 nan 8.150 nan 0.000 0.443 505 H N -1.371 117.740 119.070 0.068 0.000 2.462 505 H HA -0.041 4.537 4.556 0.037 0.000 0.292 505 H C 2.406 177.801 175.328 0.111 0.000 1.049 505 H CA 0.274 56.375 56.048 0.089 0.000 1.334 505 H CB 0.028 29.840 29.762 0.083 0.000 1.404 505 H HN 0.567 nan 8.280 nan 0.000 0.544 506 G N 1.266 110.197 108.800 0.218 0.000 2.418 506 G HA2 -0.206 3.777 3.960 0.038 0.000 0.217 506 G HA3 -0.206 3.777 3.960 0.038 0.000 0.217 506 G C 1.715 176.696 174.900 0.134 0.000 1.158 506 G CA 0.359 45.565 45.100 0.176 0.000 0.771 506 G HN 0.211 nan 8.290 nan 0.000 0.545 507 L N 0.121 121.413 121.223 0.115 0.000 2.043 507 L HA -0.111 4.252 4.340 0.038 0.000 0.212 507 L C 2.828 179.715 176.870 0.028 0.000 1.075 507 L CA 0.785 55.695 54.840 0.117 0.000 0.752 507 L CB -0.466 41.720 42.059 0.212 0.000 0.891 507 L HN 0.210 nan 8.230 nan 0.000 0.432 508 L N -1.051 120.133 121.223 -0.064 0.000 2.362 508 L HA -0.173 4.189 4.340 0.038 0.000 0.219 508 L C 1.860 178.509 176.870 -0.368 0.000 1.134 508 L CA 0.696 55.366 54.840 -0.284 0.000 0.807 508 L CB -0.619 41.179 42.059 -0.435 0.000 0.927 508 L HN 0.434 nan 8.230 nan 0.000 0.447 509 H N -0.463 118.605 119.070 -0.003 0.000 2.520 509 H HA 0.222 4.801 4.556 0.038 0.000 0.284 509 H C 1.518 176.849 175.328 0.006 0.000 1.037 509 H CA 0.744 56.789 56.048 -0.004 0.000 1.168 509 H CB 0.778 30.541 29.762 0.000 0.000 1.497 509 H HN 0.374 nan 8.280 nan 0.000 0.547 510 G N 1.362 110.212 108.800 0.083 0.000 2.143 510 G HA2 -0.230 3.753 3.960 0.038 0.000 0.249 510 G HA3 -0.230 3.753 3.960 0.038 0.000 0.249 510 G C -0.016 174.935 174.900 0.085 0.000 0.981 510 G CA -0.128 45.014 45.100 0.071 0.000 0.665 510 G HN 0.269 nan 8.290 nan 0.000 0.528 511 E N 0.232 120.488 120.200 0.094 0.000 2.231 511 E HA 0.672 5.045 4.350 0.038 0.000 0.277 511 E C 0.696 177.339 176.600 0.072 0.000 0.999 511 E CA 0.195 56.639 56.400 0.072 0.000 0.827 511 E CB 1.655 31.384 29.700 0.048 0.000 1.101 511 E HN 0.663 nan 8.360 nan 0.000 0.393 512 A N 3.751 126.620 122.820 0.081 0.000 2.313 512 A HA 0.493 4.835 4.320 0.038 0.000 0.261 512 A C -2.116 175.371 177.584 -0.162 0.000 1.090 512 A CA -1.083 51.003 52.037 0.082 0.000 0.807 512 A CB -0.411 18.722 19.000 0.223 0.000 1.055 512 A HN 0.327 nan 8.150 nan 0.000 0.492 513 P HA 0.331 nan 4.420 nan 0.000 0.271 513 P C -0.532 176.268 177.300 -0.833 0.000 1.218 513 P CA -0.021 62.568 63.100 -0.852 0.000 0.780 513 P CB 0.720 31.444 31.700 -1.627 0.000 0.901 514 A N 3.203 125.709 122.820 -0.523 0.000 2.981 514 A HA 0.152 4.495 4.320 0.038 0.000 0.280 514 A C -0.330 177.097 177.584 -0.261 0.000 1.743 514 A CA -0.569 51.291 52.037 -0.295 0.000 1.430 514 A CB -1.389 17.508 19.000 -0.172 0.000 1.085 514 A HN 0.483 nan 8.150 nan 0.000 0.597 515 W N 0.424 121.669 121.300 -0.092 0.000 2.112 515 W HA 0.409 5.089 4.660 0.034 0.000 0.349 515 W C 1.185 177.682 176.519 -0.037 0.000 1.289 515 W CA 1.100 58.395 57.345 -0.082 0.000 1.256 515 W CB 0.601 30.012 29.460 -0.083 0.000 1.148 515 W HN 1.084 nan 8.180 nan 0.000 0.590 516 G N 1.482 110.435 108.800 0.255 0.000 2.462 516 G HA2 -0.112 3.871 3.960 0.038 0.000 0.124 516 G HA3 -0.112 3.871 3.960 0.038 0.000 0.124 516 G C -1.269 173.694 174.900 0.105 0.000 1.062 516 G CA -0.636 44.556 45.100 0.152 0.000 0.764 516 G HN 0.471 nan 8.290 nan 0.000 0.485 517 D N -0.690 119.780 120.400 0.116 0.000 2.732 517 D HA 0.656 5.318 4.640 0.038 0.000 0.229 517 D C 1.201 177.562 176.300 0.101 0.000 1.152 517 D CA 0.230 54.272 54.000 0.069 0.000 0.854 517 D CB 1.500 42.306 40.800 0.010 0.000 1.590 517 D HN 0.316 nan 8.370 nan 0.000 0.468 518 K N 1.884 122.341 120.400 0.095 0.000 2.360 518 K HA -0.120 4.223 4.320 0.038 0.000 0.201 518 K C 1.613 178.285 176.600 0.119 0.000 1.046 518 K CA 1.735 58.113 56.287 0.151 0.000 0.945 518 K CB -0.598 31.968 32.500 0.109 0.000 0.750 518 K HN 0.639 nan 8.250 nan 0.000 0.464 519 R N -1.487 118.987 120.500 -0.043 0.000 2.419 519 R HA 0.378 4.740 4.340 0.038 0.000 0.235 519 R C 0.417 176.490 176.300 -0.379 0.000 0.899 519 R CA -0.098 55.885 56.100 -0.194 0.000 1.048 519 R CB -0.016 30.234 30.300 -0.084 0.000 1.182 519 R HN 0.274 nan 8.270 nan 0.000 0.544 520 L N 1.486 122.561 121.223 -0.248 0.000 2.518 520 L HA 0.560 4.923 4.340 0.038 0.000 0.262 520 L C -2.060 174.907 176.870 0.162 0.000 0.982 520 L CA -0.634 54.133 54.840 -0.121 0.000 0.873 520 L CB 1.789 43.768 42.059 -0.133 0.000 1.198 520 L HN 0.003 nan 8.230 nan 0.000 0.427 521 N N 3.601 122.494 118.700 0.321 0.000 2.484 521 N HA 0.552 5.315 4.740 0.038 0.000 0.269 521 N C -2.105 173.494 175.510 0.148 0.000 1.237 521 N CA -0.458 52.866 53.050 0.457 0.000 0.838 521 N CB 2.598 41.320 38.487 0.392 0.000 1.593 521 N HN 0.683 nan 8.380 nan 0.000 0.485 522 L N 0.723 121.756 121.223 -0.318 0.000 2.334 522 L HA 0.735 5.097 4.340 0.038 0.000 0.273 522 L C -0.743 175.974 176.870 -0.255 0.000 1.013 522 L CA -0.270 54.177 54.840 -0.655 0.000 0.816 522 L CB 1.895 43.079 42.059 -1.458 0.000 1.278 522 L HN 0.501 nan 8.230 nan 0.000 0.431 523 T N 3.175 117.627 114.554 -0.170 0.000 2.786 523 T HA 0.303 4.676 4.350 0.038 0.000 0.283 523 T C -0.767 173.891 174.700 -0.070 0.000 0.992 523 T CA -0.474 61.569 62.100 -0.094 0.000 0.954 523 T CB 0.926 69.750 68.868 -0.074 0.000 0.934 523 T HN 0.509 nan 8.240 nan 0.000 0.440 524 E N 3.673 123.844 120.200 -0.048 0.000 2.324 524 E HA 0.322 4.695 4.350 0.038 0.000 0.271 524 E C 0.050 176.649 176.600 -0.001 0.000 1.028 524 E CA 0.016 56.412 56.400 -0.006 0.000 0.890 524 E CB 0.791 30.494 29.700 0.005 0.000 1.004 524 E HN 0.639 nan 8.360 nan 0.000 0.431 525 I N -1.050 119.530 120.570 0.018 0.000 3.095 525 I HA 0.475 4.668 4.170 0.038 0.000 0.310 525 I C -0.275 175.799 176.117 -0.072 0.000 1.196 525 I CA -1.020 60.261 61.300 -0.031 0.000 0.985 525 I CB 2.407 40.370 38.000 -0.062 0.000 1.250 525 I HN 0.048 nan 8.210 nan 0.000 0.446 526 E N 3.185 123.315 120.200 -0.117 0.000 2.250 526 E HA 0.363 4.736 4.350 0.038 0.000 0.269 526 E C -1.961 174.467 176.600 -0.288 0.000 1.018 526 E CA -1.874 54.407 56.400 -0.197 0.000 0.873 526 E CB 1.608 31.258 29.700 -0.083 0.000 1.134 526 E HN 0.478 nan 8.360 nan 0.000 0.403 527 P HA -0.087 nan 4.420 nan 0.000 0.220 527 P C -0.262 176.969 177.300 -0.114 0.000 1.148 527 P CA 0.917 63.870 63.100 -0.245 0.000 0.803 527 P CB 0.268 31.834 31.700 -0.223 0.000 0.782 528 D N 0.315 120.661 120.400 -0.089 0.000 2.346 528 D HA 0.286 4.948 4.640 0.038 0.000 0.260 528 D C 1.663 177.937 176.300 -0.043 0.000 1.252 528 D CA 0.918 54.891 54.000 -0.045 0.000 0.895 528 D CB -0.070 40.710 40.800 -0.034 0.000 1.097 528 D HN 0.164 nan 8.370 nan 0.000 0.489 529 G N 2.535 111.323 108.800 -0.019 0.000 2.212 529 G HA2 -0.343 3.639 3.960 0.038 0.000 0.266 529 G HA3 -0.343 3.639 3.960 0.038 0.000 0.266 529 G C 1.348 176.173 174.900 -0.125 0.000 0.978 529 G CA 0.579 45.645 45.100 -0.057 0.000 0.632 529 G HN 0.660 nan 8.290 nan 0.000 0.537 530 G N 0.912 109.651 108.800 -0.101 0.000 2.476 530 G HA2 0.088 4.070 3.960 0.038 0.000 0.218 530 G HA3 0.088 4.070 3.960 0.038 0.000 0.218 530 G C 2.080 176.893 174.900 -0.145 0.000 1.164 530 G CA 3.059 48.089 45.100 -0.116 0.000 0.768 530 G HN 1.691 nan 8.290 nan 0.000 0.560 531 A N 0.649 123.382 122.820 -0.145 0.000 1.873 531 A HA -0.137 4.205 4.320 0.038 0.000 0.218 531 A C 2.350 179.640 177.584 -0.490 0.000 1.193 531 A CA 2.154 54.057 52.037 -0.223 0.000 0.629 531 A CB -0.638 18.288 19.000 -0.123 0.000 0.826 531 A HN 0.383 nan 8.150 nan 0.000 0.447 532 R N -0.794 119.154 120.500 -0.919 0.000 2.103 532 R HA -0.186 4.176 4.340 0.038 0.000 0.242 532 R C 2.490 178.594 176.300 -0.327 0.000 1.142 532 R CA 1.889 57.553 56.100 -0.727 0.000 0.960 532 R CB -0.278 29.706 30.300 -0.526 0.000 0.858 532 R HN 0.566 nan 8.270 nan 0.000 0.439 533 R N -0.212 120.141 120.500 -0.246 0.000 2.075 533 R HA -0.090 4.273 4.340 0.038 0.000 0.232 533 R C 2.178 178.398 176.300 -0.132 0.000 1.126 533 R CA 1.502 57.508 56.100 -0.158 0.000 0.963 533 R CB -0.139 30.087 30.300 -0.123 0.000 0.858 533 R HN 0.125 nan 8.270 nan 0.000 0.435 534 V N 0.942 120.781 119.914 -0.125 0.000 2.469 534 V HA -0.273 3.869 4.120 0.038 0.000 0.251 534 V C 2.387 178.440 176.094 -0.067 0.000 1.064 534 V CA 1.941 64.193 62.300 -0.080 0.000 1.066 534 V CB -0.646 31.147 31.823 -0.049 0.000 0.667 534 V HN 0.487 nan 8.190 nan 0.000 0.461 535 A N -0.206 122.548 122.820 -0.111 0.000 1.873 535 A HA -0.122 4.221 4.320 0.038 0.000 0.215 535 A C 2.192 179.722 177.584 -0.091 0.000 1.186 535 A CA 1.622 53.592 52.037 -0.112 0.000 0.616 535 A CB -0.489 18.354 19.000 -0.262 0.000 0.823 535 A HN 0.491 nan 8.150 nan 0.000 0.442 536 L N -1.182 119.962 121.223 -0.132 0.000 2.042 536 L HA -0.252 4.110 4.340 0.038 0.000 0.210 536 L C 2.884 179.723 176.870 -0.051 0.000 1.076 536 L CA 1.695 56.477 54.840 -0.097 0.000 0.749 536 L CB -0.595 41.398 42.059 -0.109 0.000 0.893 536 L HN 0.434 nan 8.230 nan 0.000 0.432 537 M N -0.881 118.679 119.600 -0.067 0.000 2.108 537 M HA -0.205 4.297 4.480 0.038 0.000 0.261 537 M C 2.317 178.579 176.300 -0.063 0.000 1.066 537 M CA 1.500 56.747 55.300 -0.088 0.000 1.107 537 M CB -0.352 32.185 32.600 -0.105 0.000 1.356 537 M HN 0.076 nan 8.290 nan 0.000 0.406 538 V N -0.013 119.906 119.914 0.009 0.000 2.407 538 V HA -0.281 3.861 4.120 0.038 0.000 0.248 538 V C 2.339 178.480 176.094 0.077 0.000 1.055 538 V CA 1.940 64.266 62.300 0.043 0.000 1.049 538 V CB -0.790 31.107 31.823 0.123 0.000 0.662 538 V HN 0.466 nan 8.190 nan 0.000 0.455 539 R N 0.118 120.755 120.500 0.228 0.000 2.081 539 R HA -0.225 4.138 4.340 0.038 0.000 0.235 539 R C 2.391 178.716 176.300 0.041 0.000 1.131 539 R CA 2.067 58.292 56.100 0.207 0.000 0.960 539 R CB -0.312 30.126 30.300 0.231 0.000 0.856 539 R HN 0.673 nan 8.270 nan 0.000 0.436 540 E N 0.409 120.601 120.200 -0.012 0.000 2.058 540 E HA -0.216 4.156 4.350 0.038 0.000 0.194 540 E C 1.851 178.400 176.600 -0.086 0.000 0.997 540 E CA 1.431 57.794 56.400 -0.062 0.000 0.801 540 E CB -0.083 29.556 29.700 -0.102 0.000 0.746 540 E HN 0.431 nan 8.360 nan 0.000 0.450 541 L N -0.996 120.161 121.223 -0.111 0.000 2.376 541 L HA 0.056 4.419 4.340 0.038 0.000 0.219 541 L C 1.470 178.303 176.870 -0.063 0.000 1.133 541 L CA 0.740 55.513 54.840 -0.112 0.000 0.816 541 L CB 0.148 42.124 42.059 -0.138 0.000 0.933 541 L HN 0.501 nan 8.230 nan 0.000 0.449 542 G N -0.899 107.863 108.800 -0.063 0.000 2.151 542 G HA2 0.136 4.118 3.960 0.038 0.000 0.140 542 G HA3 0.136 4.118 3.960 0.038 0.000 0.140 542 G C 0.397 175.220 174.900 -0.128 0.000 1.020 542 G CA -0.354 44.707 45.100 -0.065 0.000 0.688 542 G HN 0.716 nan 8.290 nan 0.000 0.500 543 G N -0.626 108.043 108.800 -0.218 0.000 2.629 543 G HA2 0.339 4.322 3.960 0.038 0.000 0.686 543 G HA3 0.339 4.322 3.960 0.038 0.000 0.686 543 G C -1.055 173.605 174.900 -0.400 0.000 1.232 543 G CA 0.143 44.942 45.100 -0.501 0.000 0.803 543 G HN 0.603 nan 8.290 nan 0.000 0.638 544 P HA -0.005 nan 4.420 nan 0.000 0.223 544 P C 1.876 179.102 177.300 -0.124 0.000 1.151 544 P CA 1.722 64.680 63.100 -0.236 0.000 0.787 544 P CB -0.116 31.513 31.700 -0.118 0.000 0.788 545 G N 0.621 109.345 108.800 -0.126 0.000 2.448 545 G HA2 -0.158 3.825 3.960 0.038 0.000 0.219 545 G HA3 -0.158 3.825 3.960 0.038 0.000 0.219 545 G C 1.618 176.497 174.900 -0.035 0.000 1.127 545 G CA 0.826 45.893 45.100 -0.056 0.000 0.766 545 G HN 0.390 nan 8.290 nan 0.000 0.552 546 A N -1.056 121.724 122.820 -0.068 0.000 2.095 546 A HA 0.585 4.927 4.320 0.038 0.000 0.212 546 A C 0.559 178.130 177.584 -0.022 0.000 1.162 546 A CA 0.685 52.703 52.037 -0.031 0.000 0.753 546 A CB 0.349 19.323 19.000 -0.043 0.000 0.840 546 A HN 0.670 nan 8.150 nan 0.000 0.468 547 V N -0.125 119.747 119.914 -0.070 0.000 2.888 547 V HA 0.555 4.698 4.120 0.038 0.000 0.309 547 V C -1.904 174.078 176.094 -0.187 0.000 1.114 547 V CA -0.722 61.525 62.300 -0.087 0.000 0.940 547 V CB 2.120 33.904 31.823 -0.065 0.000 1.021 547 V HN 0.380 nan 8.190 nan 0.000 0.426 548 Q N 4.124 123.730 119.800 -0.323 0.000 2.290 548 Q HA 0.615 4.978 4.340 0.038 0.000 0.259 548 Q C -1.323 174.448 176.000 -0.383 0.000 0.941 548 Q CA -0.201 55.261 55.803 -0.569 0.000 0.912 548 Q CB 1.801 29.685 28.738 -1.424 0.000 1.244 548 Q HN 0.673 nan 8.270 nan 0.000 0.441 549 V N 6.035 125.794 119.914 -0.259 0.000 2.465 549 V HA 0.432 4.574 4.120 0.038 0.000 0.279 549 V C -0.008 176.005 176.094 -0.135 0.000 1.045 549 V CA -0.414 61.798 62.300 -0.145 0.000 0.938 549 V CB 0.905 32.698 31.823 -0.050 0.000 0.986 549 V HN 0.763 nan 8.190 nan 0.000 0.467 550 L N 3.719 124.899 121.223 -0.071 0.000 2.333 550 L HA 0.824 5.187 4.340 0.038 0.000 0.263 550 L C -0.308 176.580 176.870 0.031 0.000 1.014 550 L CA -0.364 54.471 54.840 -0.008 0.000 0.820 550 L CB 2.553 44.642 42.059 0.050 0.000 1.352 550 L HN 0.691 nan 8.230 nan 0.000 0.421 551 T N 0.135 114.699 114.554 0.017 0.000 3.012 551 T HA 0.371 4.744 4.350 0.038 0.000 0.330 551 T C -2.445 172.189 174.700 -0.110 0.000 1.321 551 T CA -1.114 60.955 62.100 -0.053 0.000 1.067 551 T CB 2.070 70.916 68.868 -0.036 0.000 1.235 551 T HN 0.226 nan 8.240 nan 0.000 0.479 552 P HA 0.091 nan 4.420 nan 0.000 0.217 552 P C 0.257 177.484 177.300 -0.122 0.000 1.150 552 P CA 1.184 64.173 63.100 -0.186 0.000 0.832 552 P CB 0.154 31.680 31.700 -0.290 0.000 0.787 553 M N -2.521 116.960 119.600 -0.199 0.000 2.664 553 M HA 0.350 4.852 4.480 0.038 0.000 0.314 553 M C 1.289 177.589 176.300 0.000 0.000 1.200 553 M CA -0.664 54.603 55.300 -0.054 0.000 0.916 553 M CB 2.592 35.200 32.600 0.013 0.000 1.717 553 M HN -0.384 nan 8.290 nan 0.000 0.470 554 R N 0.456 120.970 120.500 0.024 0.000 2.112 554 R HA 0.063 4.426 4.340 0.038 0.000 0.216 554 R C 0.089 176.425 176.300 0.061 0.000 1.080 554 R CA 0.854 56.979 56.100 0.042 0.000 0.996 554 R CB 0.258 30.576 30.300 0.030 0.000 0.902 554 R HN 0.552 nan 8.270 nan 0.000 0.449 555 K N 0.027 120.461 120.400 0.056 0.000 2.132 555 K HA 0.586 4.928 4.320 0.038 0.000 0.241 555 K C 0.175 176.815 176.600 0.068 0.000 1.000 555 K CA -0.295 56.023 56.287 0.051 0.000 0.911 555 K CB 1.284 33.804 32.500 0.032 0.000 1.093 555 K HN 0.092 nan 8.250 nan 0.000 0.460 556 G N 0.785 109.603 108.800 0.030 0.000 2.795 556 G HA2 -0.177 3.805 3.960 0.038 0.000 0.664 556 G HA3 -0.177 3.805 3.960 0.038 0.000 0.664 556 G C -1.791 173.116 174.900 0.011 0.000 1.381 556 G CA -0.444 44.660 45.100 0.007 0.000 0.853 556 G HN 0.483 nan 8.290 nan 0.000 0.545 557 P HA -0.033 nan 4.420 nan 0.000 0.218 557 P C 1.392 178.787 177.300 0.157 0.000 1.148 557 P CA 1.316 64.403 63.100 -0.021 0.000 0.822 557 P CB 0.092 31.758 31.700 -0.058 0.000 0.784 558 L N -1.149 120.155 121.223 0.136 0.000 3.062 558 L HA 0.405 4.767 4.340 0.038 0.000 0.255 558 L C 1.096 178.156 176.870 0.315 0.000 1.274 558 L CA -0.609 54.354 54.840 0.205 0.000 1.047 558 L CB 0.240 42.356 42.059 0.095 0.000 1.402 558 L HN -0.069 nan 8.230 nan 0.000 0.550 559 G N -1.061 107.883 108.800 0.240 0.000 2.552 559 G HA2 0.313 4.296 3.960 0.038 0.000 0.324 559 G HA3 0.313 4.296 3.960 0.038 0.000 0.324 559 G C 0.557 175.546 174.900 0.148 0.000 1.217 559 G CA -0.533 44.670 45.100 0.172 0.000 0.989 559 G HN -0.042 nan 8.290 nan 0.000 0.490 560 M N -0.332 119.329 119.600 0.101 0.000 2.080 560 M HA -0.120 4.382 4.480 0.038 0.000 0.260 560 M C 1.805 178.179 176.300 0.123 0.000 1.068 560 M CA 1.890 57.248 55.300 0.096 0.000 1.109 560 M CB -0.228 32.413 32.600 0.069 0.000 1.342 560 M HN 0.529 nan 8.290 nan 0.000 0.405 561 D N -1.060 119.413 120.400 0.121 0.000 2.104 561 D HA -0.224 4.439 4.640 0.038 0.000 0.194 561 D C 1.857 178.276 176.300 0.199 0.000 0.994 561 D CA 1.571 55.649 54.000 0.129 0.000 0.830 561 D CB -0.694 40.161 40.800 0.091 0.000 0.959 561 D HN 0.528 nan 8.370 nan 0.000 0.452 562 H N -0.048 119.089 119.070 0.112 0.000 2.462 562 H HA 0.128 4.707 4.556 0.038 0.000 0.292 562 H C 2.106 177.592 175.328 0.265 0.000 1.049 562 H CA 0.683 56.834 56.048 0.172 0.000 1.334 562 H CB -0.183 29.659 29.762 0.132 0.000 1.404 562 H HN 0.037 nan 8.280 nan 0.000 0.544 563 L N -0.586 120.749 121.223 0.187 0.000 2.072 563 L HA -0.101 4.261 4.340 0.038 0.000 0.205 563 L C 2.053 178.990 176.870 0.112 0.000 1.079 563 L CA 1.289 56.200 54.840 0.119 0.000 0.752 563 L CB -0.310 41.815 42.059 0.110 0.000 0.906 563 L HN 0.332 nan 8.230 nan 0.000 0.436 564 N N -0.931 117.861 118.700 0.153 0.000 2.069 564 N HA -0.294 4.468 4.740 0.038 0.000 0.191 564 N C 1.822 177.411 175.510 0.133 0.000 1.031 564 N CA 1.597 54.765 53.050 0.197 0.000 0.852 564 N CB -0.280 38.334 38.487 0.211 0.000 1.018 564 N HN 0.277 nan 8.380 nan 0.000 0.423 565 Y N 1.134 121.426 120.300 -0.014 0.000 2.114 565 Y HA -0.337 4.236 4.550 0.038 0.000 0.282 565 Y C 2.459 178.226 175.900 -0.220 0.000 1.165 565 Y CA 1.740 59.771 58.100 -0.115 0.000 1.148 565 Y CB -0.299 38.063 38.460 -0.162 0.000 0.972 565 Y HN 0.263 nan 8.280 nan 0.000 0.504 566 H N -0.682 118.162 119.070 -0.376 0.000 2.357 566 H HA -0.124 4.454 4.556 0.036 0.000 0.301 566 H C 2.181 177.248 175.328 -0.436 0.000 1.082 566 H CA 1.638 57.391 56.048 -0.492 0.000 1.342 566 H CB -0.069 29.496 29.762 -0.327 0.000 1.389 566 H HN 0.331 nan 8.280 nan 0.000 0.511 567 L N 1.163 122.266 121.223 -0.201 0.000 1.994 567 L HA -0.202 4.161 4.340 0.038 0.000 0.208 567 L C 2.750 179.323 176.870 -0.495 0.000 1.071 567 L CA 1.489 56.150 54.840 -0.300 0.000 0.745 567 L CB -1.370 40.562 42.059 -0.211 0.000 0.892 567 L HN 0.320 nan 8.230 nan 0.000 0.431 568 Q N -0.646 118.864 119.800 -0.484 0.000 2.077 568 Q HA -0.257 4.106 4.340 0.038 0.000 0.206 568 Q C 2.116 177.935 176.000 -0.302 0.000 0.989 568 Q CA 2.375 57.976 55.803 -0.336 0.000 0.853 568 Q CB -0.095 28.608 28.738 -0.057 0.000 0.907 568 Q HN 0.483 nan 8.270 nan 0.000 0.418 569 A N 0.778 123.356 122.820 -0.404 0.000 1.972 569 A HA -0.148 4.195 4.320 0.038 0.000 0.219 569 A C 2.022 179.388 177.584 -0.363 0.000 1.169 569 A CA 1.119 52.920 52.037 -0.394 0.000 0.635 569 A CB -0.586 18.075 19.000 -0.565 0.000 0.810 569 A HN 0.552 nan 8.150 nan 0.000 0.446 570 L N -2.171 118.753 121.223 -0.498 0.000 2.095 570 L HA 0.017 4.380 4.340 0.038 0.000 0.204 570 L C 2.043 178.526 176.870 -0.646 0.000 1.080 570 L CA 1.532 55.968 54.840 -0.674 0.000 0.759 570 L CB -0.172 41.236 42.059 -1.084 0.000 0.914 570 L HN 0.521 nan 8.230 nan 0.000 0.439 571 F N -1.462 118.360 119.950 -0.214 0.000 2.622 571 F HA 0.113 4.670 4.527 0.050 0.000 0.288 571 F C 0.837 176.566 175.800 -0.119 0.000 1.120 571 F CA -0.224 57.676 58.000 -0.167 0.000 1.423 571 F CB 0.265 39.142 39.000 -0.205 0.000 1.127 571 F HN 0.095 nan 8.300 nan 0.000 0.588 572 N N 0.621 119.325 118.700 0.006 0.000 2.765 572 N HA 0.276 5.038 4.740 0.038 0.000 0.277 572 N C -3.018 172.472 175.510 -0.034 0.000 1.750 572 N CA -2.152 50.909 53.050 0.019 0.000 0.827 572 N CB 0.527 39.067 38.487 0.087 0.000 1.200 572 N HN -0.229 nan 8.380 nan 0.000 0.494 573 P HA 0.327 nan 4.420 nan 0.000 0.268 573 P C -0.009 177.270 177.300 -0.034 0.000 1.204 573 P CA 0.097 63.154 63.100 -0.071 0.000 0.768 573 P CB 1.065 32.720 31.700 -0.076 0.000 0.842 574 G N 0.216 108.998 108.800 -0.030 0.000 2.601 574 G HA2 0.517 4.499 3.960 0.038 0.000 0.291 574 G HA3 0.517 4.499 3.960 0.038 0.000 0.291 574 G C -0.048 174.848 174.900 -0.006 0.000 1.456 574 G CA -0.025 45.070 45.100 -0.009 0.000 0.804 574 G HN 0.364 nan 8.290 nan 0.000 0.499 575 E N -0.409 119.792 120.200 0.001 0.000 2.045 575 E HA 0.540 4.913 4.350 0.038 0.000 0.195 575 E C 1.341 177.947 176.600 0.010 0.000 0.953 575 E CA 0.762 57.165 56.400 0.004 0.000 0.859 575 E CB -0.430 29.271 29.700 0.003 0.000 0.854 575 E HN 1.744 nan 8.360 nan 0.000 0.471 576 G N 0.205 109.013 108.800 0.012 0.000 2.744 576 G HA2 0.546 4.529 3.960 0.038 0.000 0.309 576 G HA3 0.546 4.529 3.960 0.038 0.000 0.309 576 G C 0.191 175.101 174.900 0.017 0.000 1.328 576 G CA 0.301 45.410 45.100 0.015 0.000 1.034 576 G HN 0.615 nan 8.290 nan 0.000 0.518 577 G N -0.026 108.786 108.800 0.021 0.000 2.671 577 G HA2 0.606 4.588 3.960 0.038 0.000 0.275 577 G HA3 0.606 4.588 3.960 0.038 0.000 0.275 577 G C -0.826 174.088 174.900 0.023 0.000 1.368 577 G CA -0.622 44.492 45.100 0.023 0.000 1.044 577 G HN 0.695 nan 8.290 nan 0.000 0.543 578 V N 0.807 120.736 119.914 0.024 0.000 2.459 578 V HA 0.453 4.596 4.120 0.038 0.000 0.295 578 V C 0.390 176.497 176.094 0.023 0.000 1.029 578 V CA -1.047 61.268 62.300 0.024 0.000 0.874 578 V CB 1.405 33.244 31.823 0.027 0.000 0.985 578 V HN 0.717 nan 8.190 nan 0.000 0.438 579 R N 5.360 125.872 120.500 0.020 0.000 2.491 579 R HA 0.422 4.784 4.340 0.038 0.000 0.283 579 R C -0.507 175.792 176.300 -0.002 0.000 1.072 579 R CA 0.225 56.328 56.100 0.005 0.000 1.048 579 R CB 0.500 30.798 30.300 -0.003 0.000 0.983 579 R HN 0.900 nan 8.270 nan 0.000 0.450 580 I N 0.320 120.874 120.570 -0.027 0.000 3.690 580 I HA 0.503 4.695 4.170 0.038 0.000 0.280 580 I C 1.106 177.152 176.117 -0.119 0.000 1.145 580 I CA -0.721 60.556 61.300 -0.039 0.000 1.144 580 I CB 0.572 38.569 38.000 -0.004 0.000 1.378 580 I HN 0.506 nan 8.210 nan 0.000 0.478 581 A N 0.625 123.380 122.820 -0.109 0.000 1.882 581 A HA -0.086 4.256 4.320 0.038 0.000 0.220 581 A C 1.169 178.666 177.584 -0.146 0.000 1.253 581 A CA 2.935 54.878 52.037 -0.156 0.000 0.664 581 A CB -1.505 17.458 19.000 -0.062 0.000 0.838 581 A HN 1.050 nan 8.150 nan 0.000 0.460 582 E N -2.214 117.943 120.200 -0.070 0.000 2.263 582 E HA 0.526 4.898 4.350 0.038 0.000 0.268 582 E C 0.511 177.105 176.600 -0.010 0.000 0.884 582 E CA 0.135 56.507 56.400 -0.047 0.000 0.766 582 E CB 0.357 30.044 29.700 -0.020 0.000 1.196 582 E HN 2.319 nan 8.360 nan 0.000 0.416 583 G N 1.058 109.853 108.800 -0.009 0.000 2.584 583 G HA2 0.009 3.991 3.960 0.038 0.000 0.229 583 G HA3 0.009 3.991 3.960 0.038 0.000 0.229 583 G C 0.076 174.986 174.900 0.017 0.000 1.320 583 G CA 0.192 45.306 45.100 0.023 0.000 0.891 583 G HN 1.636 nan 8.290 nan 0.000 0.573 584 E N -0.888 119.335 120.200 0.038 0.000 2.367 584 E HA 0.705 5.078 4.350 0.038 0.000 0.273 584 E C -0.355 176.270 176.600 0.041 0.000 0.903 584 E CA -0.666 55.753 56.400 0.032 0.000 0.764 584 E CB 1.994 31.713 29.700 0.031 0.000 1.252 584 E HN 1.758 nan 8.360 nan 0.000 0.446 585 A N 2.819 125.658 122.820 0.032 0.000 2.292 585 A HA 0.614 4.956 4.320 0.038 0.000 0.319 585 A C -0.452 177.152 177.584 0.033 0.000 1.206 585 A CA -0.659 51.397 52.037 0.032 0.000 0.835 585 A CB 0.655 19.666 19.000 0.018 0.000 1.164 585 A HN 0.599 nan 8.150 nan 0.000 0.505 586 R N 2.329 122.854 120.500 0.042 0.000 2.686 586 R HA 0.481 4.843 4.340 0.038 0.000 0.286 586 R C -2.861 173.463 176.300 0.040 0.000 0.969 586 R CA -2.187 53.936 56.100 0.039 0.000 0.898 586 R CB 1.975 32.299 30.300 0.041 0.000 1.183 586 R HN 0.449 nan 8.270 nan 0.000 0.456 587 P HA -0.130 nan 4.420 nan 0.000 0.261 587 P C 0.595 177.920 177.300 0.042 0.000 1.165 587 P CA 1.293 64.410 63.100 0.029 0.000 0.759 587 P CB 0.412 32.126 31.700 0.023 0.000 0.772 588 G N 1.940 110.764 108.800 0.040 0.000 2.213 588 G HA2 -0.184 3.798 3.960 0.038 0.000 0.236 588 G HA3 -0.184 3.798 3.960 0.038 0.000 0.236 588 G C -0.098 174.855 174.900 0.088 0.000 0.991 588 G CA -0.258 44.877 45.100 0.058 0.000 0.629 588 G HN 0.516 nan 8.290 nan 0.000 0.517 589 D N 1.579 122.024 120.400 0.075 0.000 2.390 589 D HA 0.453 5.115 4.640 0.038 0.000 0.249 589 D C 0.446 176.682 176.300 -0.107 0.000 1.144 589 D CA 0.576 54.613 54.000 0.061 0.000 0.880 589 D CB 1.052 41.883 40.800 0.053 0.000 1.182 589 D HN 0.071 nan 8.370 nan 0.000 0.451 590 T N 2.288 116.634 114.554 -0.346 0.000 2.738 590 T HA 0.280 4.653 4.350 0.038 0.000 0.294 590 T C 0.396 174.833 174.700 -0.438 0.000 0.914 590 T CA -0.428 61.440 62.100 -0.387 0.000 1.052 590 T CB 0.510 69.119 68.868 -0.432 0.000 0.897 590 T HN -0.016 nan 8.240 nan 0.000 0.522 591 V N 4.001 123.782 119.914 -0.222 0.000 2.975 591 V HA 0.657 4.800 4.120 0.038 0.000 0.318 591 V C -0.003 176.029 176.094 -0.103 0.000 1.077 591 V CA -0.818 61.389 62.300 -0.156 0.000 1.000 591 V CB 2.120 33.889 31.823 -0.090 0.000 1.066 591 V HN 0.728 nan 8.190 nan 0.000 0.452 592 V N 0.861 120.736 119.914 -0.065 0.000 2.487 592 V HA 0.650 4.793 4.120 0.038 0.000 0.298 592 V C -0.582 175.503 176.094 -0.015 0.000 1.028 592 V CA -0.913 61.369 62.300 -0.029 0.000 0.860 592 V CB 1.412 33.235 31.823 0.001 0.000 0.991 592 V HN 0.825 nan 8.190 nan 0.000 0.427 593 Q N 3.496 123.281 119.800 -0.025 0.000 2.304 593 Q HA 0.433 4.796 4.340 0.038 0.000 0.260 593 Q C 0.887 176.901 176.000 0.023 0.000 0.965 593 Q CA 0.846 56.641 55.803 -0.013 0.000 0.898 593 Q CB 1.564 30.270 28.738 -0.054 0.000 1.196 593 Q HN 1.139 nan 8.270 nan 0.000 0.402 594 T N 0.410 114.989 114.554 0.042 0.000 3.044 594 T HA 0.378 4.751 4.350 0.038 0.000 0.260 594 T C 0.169 174.911 174.700 0.071 0.000 1.019 594 T CA -0.223 61.913 62.100 0.060 0.000 0.921 594 T CB 0.227 69.128 68.868 0.056 0.000 1.053 594 T HN 0.446 nan 8.240 nan 0.000 0.533 595 K N 0.339 120.782 120.400 0.072 0.000 2.508 595 K HA 0.566 4.908 4.320 0.038 0.000 0.260 595 K C -1.260 175.395 176.600 0.091 0.000 0.949 595 K CA -0.784 55.547 56.287 0.073 0.000 0.834 595 K CB 1.612 34.150 32.500 0.063 0.000 1.365 595 K HN -0.064 nan 8.250 nan 0.000 0.437 603 F N 1.305 121.267 119.950 0.019 0.000 2.613 603 F HA 0.849 5.399 4.527 0.038 0.000 0.342 603 F C -0.321 175.493 175.800 0.023 0.000 1.066 603 F CA -1.358 56.653 58.000 0.020 0.000 1.002 603 F CB 0.619 39.630 39.000 0.018 0.000 1.319 603 F HN 0.289 nan 8.300 nan 0.000 0.495 604 N N 0.383 119.311 118.700 0.379 0.000 2.497 604 N HA 0.411 5.173 4.740 0.038 0.000 0.268 604 N C 0.680 176.347 175.510 0.261 0.000 1.171 604 N CA 1.071 54.256 53.050 0.225 0.000 0.948 604 N CB 1.014 39.607 38.487 0.178 0.000 1.069 604 N HN 1.178 nan 8.380 nan 0.000 0.460 605 G N 1.506 110.382 108.800 0.126 0.000 2.232 605 G HA2 -0.246 3.737 3.960 0.038 0.000 0.226 605 G HA3 -0.246 3.737 3.960 0.038 0.000 0.226 605 G C 0.050 174.985 174.900 0.059 0.000 0.996 605 G CA 0.306 45.486 45.100 0.133 0.000 0.626 605 G HN 0.951 nan 8.290 nan 0.000 0.509 606 T N 0.940 115.433 114.554 -0.102 0.000 2.832 606 T HA 0.691 5.063 4.350 0.038 0.000 0.296 606 T C 0.728 175.373 174.700 -0.092 0.000 0.968 606 T CA -0.513 61.470 62.100 -0.195 0.000 1.107 606 T CB 1.921 70.468 68.868 -0.536 0.000 0.916 606 T HN 0.477 nan 8.240 nan 0.000 0.517 607 L N 2.496 123.703 121.223 -0.026 0.000 2.468 607 L HA 0.749 5.111 4.340 0.038 0.000 0.254 607 L C 1.195 178.038 176.870 -0.045 0.000 1.171 607 L CA -0.330 54.505 54.840 -0.008 0.000 0.809 607 L CB 0.498 42.597 42.059 0.067 0.000 1.155 607 L HN 1.031 nan 8.230 nan 0.000 0.473 608 G N 0.204 108.974 108.800 -0.050 0.000 2.677 608 G HA2 0.583 4.566 3.960 0.038 0.000 0.283 608 G HA3 0.583 4.566 3.960 0.038 0.000 0.283 608 G C -1.903 172.966 174.900 -0.052 0.000 1.221 608 G CA -0.430 44.639 45.100 -0.051 0.000 0.851 608 G HN 0.355 nan 8.290 nan 0.000 0.504 609 M N 0.699 120.273 119.600 -0.044 0.000 2.274 609 M HA 0.546 5.048 4.480 0.038 0.000 0.272 609 M C -1.308 174.978 176.300 -0.024 0.000 1.053 609 M CA -0.470 54.809 55.300 -0.035 0.000 0.978 609 M CB 1.636 34.225 32.600 -0.018 0.000 1.836 609 M HN 0.463 nan 8.290 nan 0.000 0.484 610 V N 5.762 125.663 119.914 -0.022 0.000 2.555 610 V HA 0.505 4.648 4.120 0.038 0.000 0.286 610 V C 1.293 177.388 176.094 0.003 0.000 1.044 610 V CA 0.560 62.855 62.300 -0.008 0.000 1.026 610 V CB 0.504 32.325 31.823 -0.003 0.000 0.981 610 V HN 0.957 nan 8.190 nan 0.000 0.480 611 L N 3.876 125.101 121.223 0.004 0.000 2.388 611 L HA 0.614 4.977 4.340 0.038 0.000 0.209 611 L C 0.806 177.682 176.870 0.010 0.000 1.061 611 L CA 1.327 56.171 54.840 0.007 0.000 0.834 611 L CB -0.545 41.517 42.059 0.005 0.000 1.029 611 L HN 0.759 nan 8.230 nan 0.000 0.473 612 K N -2.349 118.057 120.400 0.010 0.000 2.607 612 K HA 0.776 5.118 4.320 0.038 0.000 0.287 612 K C -1.083 175.524 176.600 0.013 0.000 0.996 612 K CA 0.320 56.614 56.287 0.012 0.000 0.876 612 K CB 1.759 34.265 32.500 0.010 0.000 1.496 612 K HN 0.704 nan 8.250 nan 0.000 0.415 613 A N 0.989 123.818 122.820 0.015 0.000 2.486 613 A HA 0.922 5.264 4.320 0.038 0.000 0.277 613 A C -1.425 176.168 177.584 0.015 0.000 1.282 613 A CA -0.113 51.934 52.037 0.016 0.000 0.784 613 A CB 1.483 20.494 19.000 0.018 0.000 1.350 613 A HN 0.744 nan 8.150 nan 0.000 0.454 614 E N -2.441 117.769 120.200 0.017 0.000 2.393 614 E HA 0.410 4.783 4.350 0.038 0.000 0.282 614 E C 0.773 177.384 176.600 0.018 0.000 1.096 614 E CA -0.018 56.391 56.400 0.016 0.000 0.866 614 E CB 0.350 30.059 29.700 0.014 0.000 1.232 614 E HN 1.740 nan 8.360 nan 0.000 0.431 615 G N 2.534 111.344 108.800 0.017 0.000 3.359 615 G HA2 -0.406 3.576 3.960 0.038 0.000 0.338 615 G HA3 -0.406 3.576 3.960 0.038 0.000 0.338 615 G C 0.897 175.810 174.900 0.023 0.000 1.486 615 G CA 2.082 47.193 45.100 0.018 0.000 1.570 615 G HN 1.229 nan 8.290 nan 0.000 1.093 616 A N -1.382 121.453 122.820 0.024 0.000 2.605 616 A HA 0.685 5.027 4.320 0.038 0.000 0.292 616 A C 0.622 178.225 177.584 0.031 0.000 1.055 616 A CA 0.537 52.593 52.037 0.031 0.000 0.969 616 A CB 0.568 19.589 19.000 0.035 0.000 1.236 616 A HN 0.436 nan 8.150 nan 0.000 0.534 617 R N -0.168 120.347 120.500 0.025 0.000 2.637 617 R HA 0.833 5.196 4.340 0.038 0.000 0.291 617 R C -1.557 174.756 176.300 0.021 0.000 0.963 617 R CA -0.355 55.759 56.100 0.022 0.000 0.901 617 R CB 0.911 31.222 30.300 0.018 0.000 1.160 617 R HN 0.249 nan 8.270 nan 0.000 0.457 618 L N 2.649 123.884 121.223 0.021 0.000 2.464 618 L HA 0.529 4.892 4.340 0.038 0.000 0.266 618 L C -0.912 175.966 176.870 0.014 0.000 0.965 618 L CA -0.624 54.227 54.840 0.018 0.000 0.833 618 L CB 2.673 44.744 42.059 0.021 0.000 1.296 618 L HN 0.862 nan 8.230 nan 0.000 0.405 619 T N 0.518 115.079 114.554 0.011 0.000 2.812 619 T HA 0.849 5.222 4.350 0.038 0.000 0.282 619 T C -0.617 174.085 174.700 0.003 0.000 0.990 619 T CA -0.696 61.408 62.100 0.007 0.000 0.960 619 T CB 1.872 70.744 68.868 0.007 0.000 0.948 619 T HN 0.189 nan 8.240 nan 0.000 0.438 620 V N 0.949 120.863 119.914 -0.001 0.000 3.130 620 V HA 0.866 5.008 4.120 0.038 0.000 0.310 620 V C 0.228 176.316 176.094 -0.010 0.000 1.158 620 V CA -0.483 61.813 62.300 -0.007 0.000 1.029 620 V CB 2.022 33.837 31.823 -0.013 0.000 1.057 620 V HN 1.237 nan 8.190 nan 0.000 0.436 626 V N -0.151 119.759 119.914 -0.006 0.000 2.655 626 V HA 0.945 5.088 4.120 0.038 0.000 0.301 626 V C -1.112 174.982 176.094 -0.001 0.000 1.082 626 V CA -0.593 61.705 62.300 -0.004 0.000 0.899 626 V CB 0.957 32.780 31.823 -0.000 0.000 1.014 626 V HN 0.538 nan 8.190 nan 0.000 0.429 627 V N 1.933 121.846 119.914 -0.001 0.000 3.258 627 V HA 0.894 5.037 4.120 0.038 0.000 0.299 627 V C 0.265 176.361 176.094 0.004 0.000 1.376 627 V CA 0.570 62.872 62.300 0.003 0.000 1.063 627 V CB 2.319 34.144 31.823 0.004 0.000 1.103 627 V HN 1.553 nan 8.190 nan 0.000 0.451 628 E N 0.787 120.991 120.200 0.008 0.000 2.790 628 E HA 0.876 5.248 4.350 0.038 0.000 0.256 628 E C -0.403 176.206 176.600 0.013 0.000 1.246 628 E CA 0.130 56.536 56.400 0.010 0.000 1.041 628 E CB 1.058 30.765 29.700 0.011 0.000 1.272 628 E HN 2.235 nan 8.360 nan 0.000 0.603 629 L N 0.877 122.110 121.223 0.018 0.000 2.491 629 L HA 0.745 5.108 4.340 0.038 0.000 0.267 629 L C 0.452 177.339 176.870 0.029 0.000 0.971 629 L CA -0.427 54.427 54.840 0.024 0.000 0.857 629 L CB 0.706 42.781 42.059 0.027 0.000 1.226 629 L HN 1.039 nan 8.230 nan 0.000 0.408 630 T N -0.407 114.164 114.554 0.029 0.000 2.913 630 T HA 0.529 4.901 4.350 0.038 0.000 0.287 630 T C 1.550 176.274 174.700 0.039 0.000 1.008 630 T CA 0.330 62.446 62.100 0.026 0.000 1.067 630 T CB 1.385 70.262 68.868 0.015 0.000 0.996 630 T HN 1.635 nan 8.240 nan 0.000 0.513 631 G N 0.775 109.596 108.800 0.034 0.000 2.505 631 G HA2 -0.159 3.824 3.960 0.038 0.000 0.220 631 G HA3 -0.159 3.824 3.960 0.038 0.000 0.220 631 G C 1.666 176.592 174.900 0.043 0.000 1.145 631 G CA 0.842 45.973 45.100 0.050 0.000 0.761 631 G HN 1.093 nan 8.290 nan 0.000 0.571 632 A N 0.247 123.052 122.820 -0.025 0.000 1.929 632 A HA 0.278 4.621 4.320 0.038 0.000 0.216 632 A C 2.358 179.937 177.584 -0.008 0.000 1.176 632 A CA 2.179 54.152 52.037 -0.107 0.000 0.628 632 A CB -0.668 18.264 19.000 -0.113 0.000 0.816 632 A HN 0.579 nan 8.150 nan 0.000 0.444 633 E N 0.253 120.477 120.200 0.039 0.000 2.268 633 E HA 0.029 4.401 4.350 0.038 0.000 0.195 633 E C 1.806 178.479 176.600 0.122 0.000 0.995 633 E CA 1.020 57.461 56.400 0.070 0.000 0.836 633 E CB -0.925 28.802 29.700 0.045 0.000 0.763 633 E HN 0.654 nan 8.360 nan 0.000 0.491 634 L N -1.192 120.127 121.223 0.160 0.000 2.042 634 L HA -0.117 4.245 4.340 0.038 0.000 0.210 634 L C 2.619 179.623 176.870 0.223 0.000 1.076 634 L CA 1.604 56.551 54.840 0.178 0.000 0.749 634 L CB -0.522 41.654 42.059 0.194 0.000 0.893 634 L HN 0.359 nan 8.230 nan 0.000 0.432 635 F N 0.375 120.335 119.950 0.015 0.000 2.250 635 F HA -0.205 4.344 4.527 0.037 0.000 0.301 635 F C 1.366 177.177 175.800 0.018 0.000 1.077 635 F CA 0.963 58.974 58.000 0.017 0.000 1.348 635 F CB -0.344 38.667 39.000 0.018 0.000 1.040 635 F HN 0.233 nan 8.300 nan 0.000 0.509 636 N N 0.532 119.348 118.700 0.195 0.000 2.466 636 N HA 0.330 5.092 4.740 0.038 0.000 0.251 636 N C -1.118 174.434 175.510 0.070 0.000 1.164 636 N CA 0.054 53.172 53.050 0.114 0.000 0.888 636 N CB 0.286 38.831 38.487 0.095 0.000 1.177 636 N HN 0.099 nan 8.380 nan 0.000 0.498 637 L N 0.753 122.008 121.223 0.054 0.000 2.549 637 L HA 0.305 4.667 4.340 0.038 0.000 0.259 637 L C -1.364 175.512 176.870 0.009 0.000 0.934 637 L CA -0.652 54.204 54.840 0.026 0.000 0.865 637 L CB 1.926 43.999 42.059 0.024 0.000 1.352 637 L HN 0.128 nan 8.230 nan 0.000 0.410 638 Q N 2.808 122.608 119.800 0.001 0.000 2.565 638 Q HA 0.634 4.996 4.340 0.038 0.000 0.294 638 Q C -1.374 174.613 176.000 -0.021 0.000 1.005 638 Q CA -1.128 54.674 55.803 -0.002 0.000 0.771 638 Q CB 2.343 31.087 28.738 0.009 0.000 1.486 638 Q HN 0.403 nan 8.270 nan 0.000 0.422 639 L N 0.659 121.876 121.223 -0.009 0.000 2.483 639 L HA 0.281 4.644 4.340 0.038 0.000 0.276 639 L C 1.134 177.951 176.870 -0.088 0.000 1.213 639 L CA 0.592 55.398 54.840 -0.056 0.000 0.843 639 L CB 0.232 42.333 42.059 0.071 0.000 1.107 639 L HN 1.076 nan 8.230 nan 0.000 0.487 640 G N 0.193 108.841 108.800 -0.254 0.000 3.192 640 G HA2 -0.002 3.980 3.960 0.038 0.000 0.239 640 G HA3 -0.002 3.980 3.960 0.038 0.000 0.239 640 G C 0.851 175.664 174.900 -0.145 0.000 1.084 640 G CA -0.084 44.912 45.100 -0.174 0.000 0.784 640 G HN 0.612 nan 8.290 nan 0.000 0.540 641 Y N 1.307 121.600 120.300 -0.011 0.000 2.256 641 Y HA 0.219 4.792 4.550 0.038 0.000 0.288 641 Y C 1.716 177.580 175.900 -0.061 0.000 1.155 641 Y CA 0.639 58.720 58.100 -0.032 0.000 1.203 641 Y CB -0.073 38.398 38.460 0.018 0.000 0.980 641 Y HN 0.238 nan 8.280 nan 0.000 0.530 642 A N -0.147 122.739 122.820 0.111 0.000 2.414 642 A HA 0.727 5.069 4.320 0.038 0.000 0.306 642 A C -1.089 176.507 177.584 0.020 0.000 1.054 642 A CA -0.625 51.434 52.037 0.037 0.000 0.724 642 A CB 1.117 20.160 19.000 0.072 0.000 1.267 642 A HN 0.143 nan 8.150 nan 0.000 0.418 643 L N 0.766 121.984 121.223 -0.008 0.000 2.309 643 L HA 0.640 5.002 4.340 0.038 0.000 0.261 643 L C 0.619 177.518 176.870 0.048 0.000 1.021 643 L CA -0.940 53.919 54.840 0.031 0.000 0.823 643 L CB 2.594 44.681 42.059 0.047 0.000 1.366 643 L HN 0.883 nan 8.230 nan 0.000 0.423 644 T N -2.134 112.466 114.554 0.077 0.000 2.910 644 T HA 0.220 4.593 4.350 0.038 0.000 0.293 644 T C 1.177 175.951 174.700 0.123 0.000 1.015 644 T CA -0.801 61.352 62.100 0.088 0.000 1.094 644 T CB 1.541 70.470 68.868 0.103 0.000 0.968 644 T HN 0.259 nan 8.240 nan 0.000 0.521 645 V N 1.870 121.852 119.914 0.113 0.000 2.380 645 V HA -0.221 3.921 4.120 0.038 0.000 0.251 645 V C 2.469 178.619 176.094 0.093 0.000 1.063 645 V CA 2.075 64.439 62.300 0.106 0.000 1.055 645 V CB -1.258 30.601 31.823 0.060 0.000 0.657 645 V HN 0.973 nan 8.190 nan 0.000 0.455 646 H N -0.085 119.024 119.070 0.065 0.000 2.319 646 H HA -0.113 4.465 4.556 0.037 0.000 0.299 646 H C 2.552 177.931 175.328 0.084 0.000 1.092 646 H CA 1.940 58.027 56.048 0.064 0.000 1.302 646 H CB -0.126 29.662 29.762 0.043 0.000 1.373 646 H HN 0.286 nan 8.280 nan 0.000 0.497 647 R N -0.189 120.440 120.500 0.215 0.000 2.115 647 R HA -0.001 4.361 4.340 0.038 0.000 0.230 647 R C 2.190 178.607 176.300 0.195 0.000 1.111 647 R CA 0.881 57.087 56.100 0.176 0.000 0.976 647 R CB -0.001 30.388 30.300 0.148 0.000 0.870 647 R HN 0.279 nan 8.270 nan 0.000 0.445 648 A N 0.754 123.708 122.820 0.225 0.000 2.206 648 A HA -0.039 4.304 4.320 0.038 0.000 0.211 648 A C 0.495 178.203 177.584 0.205 0.000 1.158 648 A CA 0.087 52.318 52.037 0.324 0.000 0.761 648 A CB -0.089 19.169 19.000 0.430 0.000 0.801 648 A HN 0.304 nan 8.150 nan 0.000 0.473 649 Q N -1.235 118.644 119.800 0.131 0.000 2.310 649 Q HA 0.254 4.616 4.340 0.038 0.000 0.315 649 Q C 1.379 177.410 176.000 0.052 0.000 1.081 649 Q CA 0.899 56.745 55.803 0.073 0.000 0.981 649 Q CB 0.120 28.889 28.738 0.050 0.000 1.184 649 Q HN 0.781 nan 8.270 nan 0.000 0.389 650 G N 1.950 110.762 108.800 0.020 0.000 2.347 650 G HA2 -0.311 3.671 3.960 0.038 0.000 0.247 650 G HA3 -0.311 3.671 3.960 0.038 0.000 0.247 650 G C 0.184 175.042 174.900 -0.069 0.000 1.037 650 G CA 0.317 45.410 45.100 -0.011 0.000 0.622 650 G HN 0.575 nan 8.290 nan 0.000 0.521 651 S N 0.549 116.180 115.700 -0.115 0.000 2.632 651 S HA 0.653 5.146 4.470 0.038 0.000 0.271 651 S C -0.080 174.213 174.600 -0.511 0.000 1.260 651 S CA -0.292 57.689 58.200 -0.365 0.000 1.010 651 S CB 1.989 64.904 63.200 -0.476 0.000 0.965 651 S HN 0.498 nan 8.310 nan 0.000 0.534 652 E N 0.244 119.987 120.200 -0.761 0.000 2.340 652 E HA 0.393 4.765 4.350 0.038 0.000 0.273 652 E C -1.433 174.758 176.600 -0.682 0.000 0.891 652 E CA -0.606 55.501 56.400 -0.488 0.000 0.757 652 E CB 1.576 31.148 29.700 -0.213 0.000 1.231 652 E HN 0.550 nan 8.360 nan 0.000 0.439 653 W N 0.327 121.662 121.300 0.057 0.000 3.033 653 W HA 0.294 4.956 4.660 0.004 0.000 0.336 653 W C 0.897 177.447 176.519 0.052 0.000 1.173 653 W CA -0.903 56.472 57.345 0.050 0.000 1.185 653 W CB 1.639 31.128 29.460 0.049 0.000 1.425 653 W HN 0.843 nan 8.180 nan 0.000 0.536 654 G N 0.845 109.805 108.800 0.267 0.000 2.440 654 G HA2 -0.071 3.912 3.960 0.038 0.000 0.218 654 G HA3 -0.071 3.912 3.960 0.038 0.000 0.218 654 G C 0.268 175.272 174.900 0.173 0.000 1.154 654 G CA 1.165 46.368 45.100 0.172 0.000 0.767 654 G HN 0.254 nan 8.290 nan 0.000 0.552 655 T N -0.961 113.708 114.554 0.191 0.000 2.921 655 T HA 0.496 4.868 4.350 0.038 0.000 0.297 655 T C -1.407 173.344 174.700 0.085 0.000 1.013 655 T CA -0.376 61.809 62.100 0.141 0.000 0.990 655 T CB 2.490 71.437 68.868 0.133 0.000 1.023 655 T HN 0.260 nan 8.240 nan 0.000 0.447 656 V N 4.506 124.432 119.914 0.020 0.000 2.789 656 V HA 0.828 4.971 4.120 0.038 0.000 0.311 656 V C -1.694 174.219 176.094 -0.301 0.000 1.073 656 V CA -1.035 61.187 62.300 -0.129 0.000 0.921 656 V CB 1.866 33.676 31.823 -0.021 0.000 1.009 656 V HN 0.724 nan 8.190 nan 0.000 0.426 657 L N 6.406 127.483 121.223 -0.244 0.000 2.276 657 L HA 0.883 5.246 4.340 0.038 0.000 0.286 657 L C 0.409 177.157 176.870 -0.205 0.000 1.024 657 L CA 0.291 55.006 54.840 -0.209 0.000 0.826 657 L CB 0.870 42.876 42.059 -0.088 0.000 1.211 657 L HN 0.864 nan 8.230 nan 0.000 0.422 658 G N 5.085 113.729 108.800 -0.260 0.000 2.347 658 G HA2 0.530 4.512 3.960 0.038 0.000 0.314 658 G HA3 0.530 4.512 3.960 0.038 0.000 0.314 658 G C -0.980 174.052 174.900 0.221 0.000 1.126 658 G CA -0.413 44.733 45.100 0.077 0.000 0.929 658 G HN 0.446 nan 8.290 nan 0.000 0.441 659 V N 3.403 123.422 119.914 0.176 0.000 2.406 659 V HA 0.538 4.681 4.120 0.038 0.000 0.272 659 V C -0.115 176.144 176.094 0.274 0.000 1.043 659 V CA -0.624 61.804 62.300 0.213 0.000 0.915 659 V CB 0.979 32.916 31.823 0.190 0.000 0.988 659 V HN 0.582 nan 8.190 nan 0.000 0.466 660 L N 4.867 126.276 121.223 0.311 0.000 2.505 660 L HA 0.670 5.032 4.340 0.038 0.000 0.266 660 L C -0.892 176.125 176.870 0.245 0.000 0.954 660 L CA 0.070 55.066 54.840 0.259 0.000 0.852 660 L CB 1.779 43.746 42.059 -0.152 0.000 1.282 660 L HN 0.843 nan 8.230 nan 0.000 0.403 661 H N 2.558 121.659 119.070 0.052 0.000 3.014 661 H HA 0.285 4.863 4.556 0.037 0.000 0.337 661 H C -0.307 174.952 175.328 -0.116 0.000 1.320 661 H CA -0.470 55.530 56.048 -0.079 0.000 1.128 661 H CB 2.074 31.734 29.762 -0.170 0.000 1.862 661 H HN 0.696 nan 8.280 nan 0.000 0.536 662 E N 1.317 121.176 120.200 -0.568 0.000 2.273 662 E HA -0.120 4.252 4.350 0.038 0.000 0.198 662 E C 1.791 178.358 176.600 -0.056 0.000 1.002 662 E CA 1.070 57.315 56.400 -0.258 0.000 0.828 662 E CB -0.525 29.007 29.700 -0.279 0.000 0.747 662 E HN 0.524 nan 8.360 nan 0.000 0.491 663 A N 1.753 124.624 122.820 0.085 0.000 2.070 663 A HA -0.167 4.176 4.320 0.038 0.000 0.220 663 A C 1.319 178.858 177.584 -0.075 0.000 1.159 663 A CA 1.088 53.112 52.037 -0.022 0.000 0.656 663 A CB -0.628 18.309 19.000 -0.105 0.000 0.800 663 A HN 0.213 nan 8.150 nan 0.000 0.453 664 H N -1.624 117.493 119.070 0.078 0.000 2.567 664 H HA 0.187 4.766 4.556 0.039 0.000 0.294 664 H C 1.396 176.730 175.328 0.010 0.000 1.050 664 H CA 0.445 56.515 56.048 0.036 0.000 1.168 664 H CB -0.236 29.541 29.762 0.025 0.000 1.422 664 H HN 0.487 nan 8.280 nan 0.000 0.562 665 M N 2.506 122.155 119.600 0.083 0.000 2.308 665 M HA -0.155 4.347 4.480 0.038 0.000 0.257 665 M C -0.801 175.523 176.300 0.039 0.000 1.070 665 M CA 2.041 57.364 55.300 0.039 0.000 1.080 665 M CB -1.036 31.575 32.600 0.018 0.000 1.274 665 M HN 0.106 nan 8.290 nan 0.000 0.434 666 P HA -0.134 nan 4.420 nan 0.000 0.225 666 P C 1.196 178.512 177.300 0.026 0.000 1.148 666 P CA 1.286 64.402 63.100 0.027 0.000 0.779 666 P CB -0.399 31.315 31.700 0.025 0.000 0.780 667 M N -1.260 118.365 119.600 0.042 0.000 2.502 667 M HA 0.122 4.625 4.480 0.038 0.000 0.243 667 M C 0.882 177.190 176.300 0.013 0.000 1.130 667 M CA 0.081 55.401 55.300 0.034 0.000 1.055 667 M CB -0.504 32.116 32.600 0.033 0.000 1.457 667 M HN -0.061 nan 8.290 nan 0.000 0.488 668 L N 2.139 123.367 121.223 0.008 0.000 2.462 668 L HA 0.120 4.483 4.340 0.038 0.000 0.283 668 L C 0.531 177.390 176.870 -0.018 0.000 1.166 668 L CA -0.324 54.502 54.840 -0.023 0.000 0.964 668 L CB -0.662 41.383 42.059 -0.023 0.000 1.294 668 L HN 0.199 nan 8.230 nan 0.000 0.449 669 S N 1.733 117.420 115.700 -0.022 0.000 2.697 669 S HA 0.449 4.942 4.470 0.038 0.000 0.289 669 S C 0.603 175.199 174.600 -0.007 0.000 1.149 669 S CA -0.997 57.197 58.200 -0.011 0.000 0.850 669 S CB 2.289 65.485 63.200 -0.007 0.000 1.151 669 S HN 0.541 nan 8.310 nan 0.000 0.491 670 R N 0.704 121.204 120.500 0.000 0.000 2.081 670 R HA -0.037 4.326 4.340 0.038 0.000 0.235 670 R C 1.700 178.020 176.300 0.033 0.000 1.131 670 R CA 1.788 57.898 56.100 0.017 0.000 0.960 670 R CB -0.562 29.729 30.300 -0.014 0.000 0.856 670 R HN 0.767 nan 8.270 nan 0.000 0.436 671 N N 0.850 119.552 118.700 0.002 0.000 2.188 671 N HA -0.177 4.586 4.740 0.038 0.000 0.184 671 N C 1.760 177.299 175.510 0.047 0.000 1.018 671 N CA 0.852 53.911 53.050 0.014 0.000 0.858 671 N CB -0.118 38.353 38.487 -0.025 0.000 0.989 671 N HN 0.214 nan 8.380 nan 0.000 0.426 672 L N 2.439 123.666 121.223 0.007 0.000 1.976 672 L HA -0.119 4.243 4.340 0.038 0.000 0.209 672 L C 2.465 179.336 176.870 0.003 0.000 1.071 672 L CA 1.738 56.568 54.840 -0.018 0.000 0.746 672 L CB -1.142 40.901 42.059 -0.026 0.000 0.890 672 L HN 0.010 nan 8.230 nan 0.000 0.432 673 V N -2.194 117.712 119.914 -0.013 0.000 2.407 673 V HA -0.319 3.823 4.120 0.038 0.000 0.248 673 V C 2.483 178.648 176.094 0.119 0.000 1.055 673 V CA 1.763 64.055 62.300 -0.013 0.000 1.049 673 V CB -1.759 30.016 31.823 -0.080 0.000 0.662 673 V HN 0.478 nan 8.190 nan 0.000 0.455 674 Y N 2.257 122.565 120.300 0.014 0.000 2.114 674 Y HA -0.207 4.368 4.550 0.041 0.000 0.284 674 Y C 2.813 178.720 175.900 0.012 0.000 1.143 674 Y CA 2.615 60.721 58.100 0.011 0.000 1.135 674 Y CB -0.774 37.678 38.460 -0.013 0.000 0.980 674 Y HN 0.240 nan 8.280 nan 0.000 0.499 675 T N 0.598 115.231 114.554 0.131 0.000 2.684 675 T HA -0.271 4.102 4.350 0.038 0.000 0.267 675 T C 2.072 176.799 174.700 0.046 0.000 1.036 675 T CA 1.581 63.713 62.100 0.054 0.000 1.148 675 T CB -0.881 68.009 68.868 0.036 0.000 0.863 675 T HN 0.511 nan 8.240 nan 0.000 0.436 676 A N 1.269 124.142 122.820 0.088 0.000 1.865 676 A HA -0.080 4.263 4.320 0.038 0.000 0.217 676 A C 2.243 179.946 177.584 0.198 0.000 1.191 676 A CA 1.454 53.616 52.037 0.209 0.000 0.623 676 A CB -1.042 18.117 19.000 0.264 0.000 0.826 676 A HN 0.365 nan 8.150 nan 0.000 0.444 677 L N 0.486 121.665 121.223 -0.073 0.000 2.013 677 L HA -0.180 4.183 4.340 0.038 0.000 0.212 677 L C 2.837 179.597 176.870 -0.183 0.000 1.073 677 L CA 2.755 57.356 54.840 -0.398 0.000 0.753 677 L CB -1.029 40.794 42.059 -0.393 0.000 0.890 677 L HN 0.643 nan 8.230 nan 0.000 0.432 678 T N -3.819 110.616 114.554 -0.199 0.000 3.098 678 T HA -0.091 4.281 4.350 0.038 0.000 0.266 678 T C 1.785 176.494 174.700 0.015 0.000 1.145 678 T CA 0.251 62.259 62.100 -0.153 0.000 1.092 678 T CB -0.342 68.368 68.868 -0.263 0.000 0.908 678 T HN 0.161 nan 8.240 nan 0.000 0.526 679 R N 1.689 122.275 120.500 0.143 0.000 2.235 679 R HA 0.370 4.733 4.340 0.038 0.000 0.213 679 R C 1.019 177.510 176.300 0.319 0.000 1.059 679 R CA 0.330 56.589 56.100 0.265 0.000 0.997 679 R CB -0.851 29.720 30.300 0.452 0.000 0.884 679 R HN 0.574 nan 8.270 nan 0.000 0.462 680 A N 1.164 124.163 122.820 0.298 0.000 2.260 680 A HA 0.411 4.754 4.320 0.038 0.000 0.314 680 A C 0.793 178.471 177.584 0.156 0.000 1.257 680 A CA -0.564 51.650 52.037 0.296 0.000 0.871 680 A CB 0.935 20.199 19.000 0.439 0.000 1.166 680 A HN 0.087 nan 8.150 nan 0.000 0.522 681 R N 1.076 121.656 120.500 0.134 0.000 2.075 681 R HA 0.010 4.373 4.340 0.038 0.000 0.220 681 R C 0.232 176.567 176.300 0.058 0.000 1.118 681 R CA 1.370 57.514 56.100 0.074 0.000 0.986 681 R CB 0.193 30.531 30.300 0.063 0.000 0.884 681 R HN 0.758 nan 8.270 nan 0.000 0.439 682 D N -0.390 120.054 120.400 0.074 0.000 2.615 682 D HA 0.121 4.784 4.640 0.038 0.000 0.259 682 D C 0.379 176.697 176.300 0.031 0.000 0.999 682 D CA 0.528 54.557 54.000 0.049 0.000 0.938 682 D CB 0.783 41.617 40.800 0.057 0.000 1.121 682 D HN -0.010 nan 8.370 nan 0.000 0.487 683 R N -0.250 120.278 120.500 0.047 0.000 2.673 683 R HA 0.483 4.846 4.340 0.038 0.000 0.281 683 R C -1.611 174.693 176.300 0.008 0.000 0.991 683 R CA -0.664 55.413 56.100 -0.039 0.000 0.896 683 R CB 2.397 32.673 30.300 -0.040 0.000 1.201 683 R HN -0.099 nan 8.270 nan 0.000 0.457 684 F N 2.988 122.775 119.950 -0.273 0.000 2.579 684 F HA 0.486 5.034 4.527 0.036 0.000 0.325 684 F C -1.595 174.069 175.800 -0.225 0.000 1.162 684 F CA -0.778 57.148 58.000 -0.123 0.000 0.946 684 F CB 0.933 39.927 39.000 -0.011 0.000 1.211 684 F HN 0.376 nan 8.300 nan 0.000 0.447 685 F N 3.400 123.260 119.950 -0.149 0.000 2.469 685 F HA 0.523 5.069 4.527 0.032 0.000 0.332 685 F C 0.396 176.101 175.800 -0.158 0.000 1.103 685 F CA -0.784 57.191 58.000 -0.042 0.000 0.979 685 F CB 2.035 40.989 39.000 -0.076 0.000 1.137 685 F HN 0.352 nan 8.300 nan 0.000 0.463 686 S N 1.906 117.673 115.700 0.110 0.000 2.549 686 S HA 0.870 5.362 4.470 0.038 0.000 0.297 686 S C -0.797 173.814 174.600 0.018 0.000 1.115 686 S CA -0.501 57.764 58.200 0.108 0.000 1.059 686 S CB 1.135 64.377 63.200 0.069 0.000 1.046 686 S HN 0.765 nan 8.310 nan 0.000 0.506 687 A N 2.418 125.300 122.820 0.103 0.000 2.335 687 A HA 0.856 5.199 4.320 0.038 0.000 0.304 687 A C 0.558 178.219 177.584 0.128 0.000 1.118 687 A CA 0.090 52.162 52.037 0.058 0.000 0.757 687 A CB 0.660 19.677 19.000 0.029 0.000 1.188 687 A HN 1.555 nan 8.150 nan 0.000 0.460 688 G N 0.728 109.595 108.800 0.112 0.000 2.104 688 G HA2 0.482 4.465 3.960 0.038 0.000 0.055 688 G HA3 0.482 4.465 3.960 0.038 0.000 0.055 688 G C -0.072 174.975 174.900 0.246 0.000 0.815 688 G CA 0.603 45.829 45.100 0.210 0.000 1.125 688 G HN 2.173 nan 8.290 nan 0.000 0.379 689 S N -0.259 115.591 115.700 0.250 0.000 2.569 689 S HA 0.772 5.265 4.470 0.038 0.000 0.280 689 S C 0.957 175.691 174.600 0.223 0.000 1.111 689 S CA 0.621 58.914 58.200 0.156 0.000 0.887 689 S CB 1.796 65.014 63.200 0.030 0.000 1.095 689 S HN 2.090 nan 8.310 nan 0.000 0.476 690 A N 2.132 125.043 122.820 0.152 0.000 1.968 690 A HA 0.064 4.407 4.320 0.038 0.000 0.217 690 A C 2.265 180.024 177.584 0.291 0.000 1.169 690 A CA 1.657 53.836 52.037 0.236 0.000 0.638 690 A CB -1.367 17.722 19.000 0.148 0.000 0.812 690 A HN 1.495 nan 8.150 nan 0.000 0.446 691 S N 0.389 116.187 115.700 0.164 0.000 2.382 691 S HA 0.010 4.502 4.470 0.038 0.000 0.228 691 S C 2.072 176.737 174.600 0.110 0.000 1.027 691 S CA 1.215 59.485 58.200 0.116 0.000 0.991 691 S CB -0.671 62.553 63.200 0.040 0.000 0.823 691 S HN 0.856 nan 8.310 nan 0.000 0.469 692 A N 0.699 123.567 122.820 0.081 0.000 1.978 692 A HA -0.012 4.330 4.320 0.038 0.000 0.220 692 A C 1.857 179.472 177.584 0.052 0.000 1.170 692 A CA 1.289 53.333 52.037 0.011 0.000 0.636 692 A CB -1.201 17.767 19.000 -0.053 0.000 0.810 692 A HN 0.750 nan 8.150 nan 0.000 0.448 693 W N -0.275 121.110 121.300 0.141 0.000 2.418 693 W HA -0.035 4.645 4.660 0.034 0.000 0.292 693 W C 2.590 179.193 176.519 0.139 0.000 1.213 693 W CA 1.292 58.752 57.345 0.193 0.000 1.283 693 W CB -0.265 29.405 29.460 0.349 0.000 1.119 693 W HN 0.403 nan 8.180 nan 0.000 0.542 694 Q N 0.048 120.048 119.800 0.333 0.000 2.124 694 Q HA -0.182 4.181 4.340 0.038 0.000 0.202 694 Q C 2.016 178.094 176.000 0.131 0.000 0.977 694 Q CA 1.667 57.594 55.803 0.205 0.000 0.850 694 Q CB -0.427 28.407 28.738 0.161 0.000 0.901 694 Q HN 0.368 nan 8.270 nan 0.000 0.429 695 I N 0.271 120.900 120.570 0.098 0.000 2.202 695 I HA -0.259 3.933 4.170 0.038 0.000 0.242 695 I C 2.389 178.532 176.117 0.042 0.000 1.091 695 I CA 0.959 62.289 61.300 0.051 0.000 1.368 695 I CB -0.387 37.625 38.000 0.021 0.000 1.058 695 I HN 0.165 nan 8.210 nan 0.000 0.410 696 A N 0.723 123.562 122.820 0.031 0.000 1.902 696 A HA -0.172 4.171 4.320 0.038 0.000 0.217 696 A C 2.524 180.138 177.584 0.051 0.000 1.181 696 A CA 1.897 53.936 52.037 0.003 0.000 0.623 696 A CB -0.865 18.080 19.000 -0.092 0.000 0.818 696 A HN 0.439 nan 8.150 nan 0.000 0.443 697 A N -0.200 122.687 122.820 0.112 0.000 1.902 697 A HA 0.167 4.510 4.320 0.038 0.000 0.217 697 A C 2.472 180.099 177.584 0.071 0.000 1.181 697 A CA 2.062 54.170 52.037 0.118 0.000 0.623 697 A CB -0.948 18.149 19.000 0.162 0.000 0.818 697 A HN 1.076 nan 8.150 nan 0.000 0.443 698 A N -1.089 121.770 122.820 0.065 0.000 2.014 698 A HA 0.066 4.408 4.320 0.038 0.000 0.218 698 A C 1.552 179.151 177.584 0.025 0.000 1.163 698 A CA 0.723 52.786 52.037 0.044 0.000 0.652 698 A CB -0.144 18.883 19.000 0.045 0.000 0.808 698 A HN 0.425 nan 8.150 nan 0.000 0.449 699 R N 0.968 121.480 120.500 0.021 0.000 2.229 699 R HA 0.267 4.630 4.340 0.038 0.000 0.332 699 R C 0.113 176.411 176.300 -0.002 0.000 0.989 699 R CA -0.353 55.751 56.100 0.008 0.000 0.842 699 R CB 0.666 30.970 30.300 0.007 0.000 1.119 699 R HN 0.701 nan 8.270 nan 0.000 0.456 700 Q N 3.748 123.543 119.800 -0.010 0.000 2.454 700 Q HA 0.049 4.412 4.340 0.038 0.000 0.247 700 Q C -0.579 175.409 176.000 -0.019 0.000 1.028 700 Q CA -0.422 55.369 55.803 -0.021 0.000 0.910 700 Q CB 0.793 29.517 28.738 -0.024 0.000 1.276 700 Q HN 0.537 nan 8.270 nan 0.000 0.489 701 R N 0.874 121.358 120.500 -0.026 0.000 2.734 701 R HA 0.109 4.472 4.340 0.038 0.000 0.266 701 R C -0.505 175.780 176.300 -0.025 0.000 1.044 701 R CA -0.558 55.528 56.100 -0.022 0.000 1.128 701 R CB 0.337 30.622 30.300 -0.025 0.000 1.010 701 R HN 0.491 nan 8.270 nan 0.000 0.461 702 E N 0.899 121.082 120.200 -0.027 0.000 2.608 702 E HA -0.054 4.319 4.350 0.038 0.000 0.259 702 E C 0.063 176.638 176.600 -0.042 0.000 0.951 702 E CA 0.719 57.098 56.400 -0.035 0.000 0.945 702 E CB 0.355 30.022 29.700 -0.054 0.000 0.916 702 E HN 0.689 nan 8.360 nan 0.000 0.477 703 A N 4.797 127.604 122.820 -0.022 0.000 2.498 703 A HA 0.141 4.484 4.320 0.038 0.000 0.239 703 A C 0.392 177.971 177.584 -0.009 0.000 1.068 703 A CA 0.215 52.247 52.037 -0.008 0.000 0.766 703 A CB 0.366 19.371 19.000 0.008 0.000 1.003 703 A HN 0.535 nan 8.150 nan 0.000 0.497 704 R N 1.644 122.136 120.500 -0.013 0.000 2.437 704 R HA 0.225 4.588 4.340 0.038 0.000 0.310 704 R C -1.042 175.272 176.300 0.023 0.000 0.955 704 R CA -0.817 55.275 56.100 -0.014 0.000 0.851 704 R CB 1.059 31.324 30.300 -0.058 0.000 1.161 704 R HN 0.776 nan 8.270 nan 0.000 0.446 705 N N 1.702 120.436 118.700 0.057 0.000 2.406 705 N HA 0.018 4.781 4.740 0.038 0.000 0.265 705 N C -0.719 174.671 175.510 -0.198 0.000 1.203 705 N CA 0.600 53.410 53.050 -0.400 0.000 0.945 705 N CB 1.202 38.933 38.487 -1.260 0.000 1.165 705 N HN 0.450 nan 8.380 nan 0.000 0.485 706 T N -0.506 114.120 114.554 0.120 0.000 3.032 706 T HA 0.577 4.950 4.350 0.038 0.000 0.312 706 T C -0.135 174.766 174.700 0.335 0.000 1.078 706 T CA -0.714 61.544 62.100 0.264 0.000 1.028 706 T CB 0.877 69.823 68.868 0.130 0.000 1.091 706 T HN 0.313 nan 8.240 nan 0.000 0.457 707 A N 4.325 127.352 122.820 0.346 0.000 2.423 707 A HA 0.360 4.702 4.320 0.038 0.000 0.246 707 A C 1.644 179.296 177.584 0.113 0.000 1.278 707 A CA -0.166 51.985 52.037 0.191 0.000 0.903 707 A CB -0.386 18.672 19.000 0.096 0.000 0.997 707 A HN 0.747 nan 8.150 nan 0.000 0.510 708 L N -0.302 120.988 121.223 0.112 0.000 1.994 708 L HA -0.108 4.255 4.340 0.038 0.000 0.208 708 L C 2.124 179.012 176.870 0.031 0.000 1.071 708 L CA 1.811 56.690 54.840 0.065 0.000 0.745 708 L CB -0.445 41.649 42.059 0.058 0.000 0.892 708 L HN 0.470 nan 8.230 nan 0.000 0.431 709 L N -0.763 120.474 121.223 0.024 0.000 1.989 709 L HA -0.247 4.115 4.340 0.038 0.000 0.211 709 L C 2.648 179.489 176.870 -0.048 0.000 1.071 709 L CA 1.755 56.586 54.840 -0.015 0.000 0.749 709 L CB -0.484 41.571 42.059 -0.007 0.000 0.890 709 L HN 0.413 nan 8.230 nan 0.000 0.431 710 E N -0.085 120.112 120.200 -0.006 0.000 2.114 710 E HA -0.281 4.092 4.350 0.038 0.000 0.199 710 E C 2.207 178.777 176.600 -0.050 0.000 1.008 710 E CA 1.537 57.934 56.400 -0.005 0.000 0.810 710 E CB -0.128 29.607 29.700 0.058 0.000 0.739 710 E HN 0.548 nan 8.360 nan 0.000 0.456 711 R N 0.044 120.529 120.500 -0.025 0.000 2.066 711 R HA -0.021 4.341 4.340 0.038 0.000 0.232 711 R C 2.635 178.945 176.300 0.018 0.000 1.131 711 R CA 0.949 57.026 56.100 -0.038 0.000 0.955 711 R CB -0.351 29.952 30.300 0.004 0.000 0.851 711 R HN 0.173 nan 8.270 nan 0.000 0.432 712 I N 0.615 121.209 120.570 0.039 0.000 2.248 712 I HA -0.319 3.873 4.170 0.038 0.000 0.248 712 I C 2.283 178.368 176.117 -0.052 0.000 1.107 712 I CA 1.554 62.877 61.300 0.038 0.000 1.373 712 I CB -0.202 37.782 38.000 -0.026 0.000 1.055 712 I HN 0.152 nan 8.210 nan 0.000 0.418 713 R N 0.245 120.617 120.500 -0.215 0.000 2.173 713 R HA 0.113 4.475 4.340 0.038 0.000 0.208 713 R C 2.445 178.481 176.300 -0.440 0.000 1.035 713 R CA 0.871 56.677 56.100 -0.489 0.000 1.004 713 R CB -0.227 29.496 30.300 -0.961 0.000 0.917 713 R HN 0.306 nan 8.270 nan 0.000 0.462 714 A N 1.126 123.824 122.820 -0.203 0.000 1.877 714 A HA -0.201 4.142 4.320 0.038 0.000 0.216 714 A C 1.690 179.248 177.584 -0.044 0.000 1.186 714 A CA 1.318 53.345 52.037 -0.017 0.000 0.620 714 A CB -0.663 18.300 19.000 -0.061 0.000 0.822 714 A HN 0.260 nan 8.150 nan 0.000 0.443 715 H N -0.672 118.371 119.070 -0.046 0.000 2.289 715 H HA -0.095 4.484 4.556 0.038 0.000 0.296 715 H C 1.629 176.934 175.328 -0.039 0.000 1.091 715 H CA 1.614 57.638 56.048 -0.040 0.000 1.274 715 H CB -1.100 28.631 29.762 -0.053 0.000 1.364 715 H HN 0.459 nan 8.280 nan 0.000 0.490 716 L N 0.000 121.259 121.223 0.060 0.000 2.949 716 L HA 0.000 4.363 4.340 0.038 0.000 0.249 716 L CA 0.000 54.847 54.840 0.012 0.000 0.813 716 L CB 0.000 42.036 42.059 -0.039 0.000 0.961 716 L HN 0.000 nan 8.230 nan 0.000 0.502