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 3gpl_1_B DATA FIRST_RESID 184 DATA SEQUENCE ALDRLEKDLF TLTEVEGIGF LTADKLWQAR GGALDDPRRL TAAAVYALQL DATA SEQUENCE AGTQAGHSFL PRSRAEKGVV HYTRVTPGQA RLAVETAVEL GRLSEDXXXX DATA SEQUENCE XXXXXXXXXE GRIYLPHVLR AEKKLASLIR TLLATPPADX XGNDDWAVPK DATA SEQUENCE KARKGLSEEQ ASVLDQLAGH RLVVLTGGPG TGKSTTTKAV ADLAESLGLE DATA SEQUENCE VGLCAPTGKA ARRLGEVTGR TASTVHRLLG YGPQGFRHNH LEPAPYDLLI DATA SEQUENCE VDEVSMMGDA LMLSLLAAVP PGARVLLVGD TDQLPPVDAG LPLLALAQAA DATA SEQUENCE PTIKLTQVYR QAAKNPIIQA AHGLLHGEAP AWGDKRLNLT EIEPDGGARR DATA SEQUENCE VALMVRELGG PGAVQVLTPM RKGPLGMDHL NYHLQALFNP GEGGVRIAEG DATA SEQUENCE EARPGDTVVQ TKNDYNNEIF NGTLGMVLKA EGARLTVDFD GNVVELTGAE DATA SEQUENCE LFNLQLGYAL TVHRAQGSEW GTVLGVLHEA HMPMLSRNLV YTALTRARDR DATA SEQUENCE FFSAGSASAW QIAAARQREA RNTALLERIR A 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 184 A HA 0.000 nan 4.320 nan 0.000 0.244 184 A C 0.000 177.589 177.584 0.008 0.000 1.274 184 A CA 0.000 52.040 52.037 0.006 0.000 0.836 184 A CB 0.000 19.002 19.000 0.003 0.000 0.831 185 L N -0.283 120.943 121.223 0.005 0.000 2.740 185 L HA 0.066 4.406 4.340 -0.001 0.000 0.242 185 L C 1.310 178.186 176.870 0.010 0.000 1.175 185 L CA 2.120 56.964 54.840 0.006 0.000 0.859 185 L CB -0.571 41.488 42.059 0.001 0.000 0.992 185 L HN 0.439 nan 8.230 nan 0.000 0.454 186 D N 0.995 121.402 120.400 0.011 0.000 2.149 186 D HA -0.183 4.456 4.640 -0.001 0.000 0.201 186 D C 2.196 178.509 176.300 0.021 0.000 0.972 186 D CA 1.052 55.061 54.000 0.015 0.000 0.835 186 D CB 0.188 40.996 40.800 0.013 0.000 0.966 186 D HN 0.204 nan 8.370 nan 0.000 0.476 187 R N -0.315 120.198 120.500 0.021 0.000 2.092 187 R HA 0.140 4.479 4.340 -0.001 0.000 0.231 187 R C 2.313 178.634 176.300 0.034 0.000 1.119 187 R CA 0.753 56.870 56.100 0.028 0.000 0.970 187 R CB -0.437 29.878 30.300 0.025 0.000 0.864 187 R HN 0.271 nan 8.270 nan 0.000 0.440 188 L N -0.262 120.976 121.223 0.026 0.000 2.313 188 L HA -0.015 4.324 4.340 -0.001 0.000 0.214 188 L C 1.698 178.588 176.870 0.034 0.000 1.119 188 L CA 1.033 55.888 54.840 0.025 0.000 0.809 188 L CB -0.219 41.846 42.059 0.010 0.000 0.933 188 L HN 0.216 nan 8.230 nan 0.000 0.449 189 E N 0.169 120.387 120.200 0.031 0.000 2.230 189 E HA -0.112 4.237 4.350 -0.001 0.000 0.192 189 E C 1.965 178.598 176.600 0.054 0.000 0.987 189 E CA 0.509 56.929 56.400 0.033 0.000 0.841 189 E CB 0.227 29.939 29.700 0.019 0.000 0.783 189 E HN 0.419 nan 8.360 nan 0.000 0.481 190 K N 0.264 120.697 120.400 0.056 0.000 2.062 190 K HA -0.036 4.284 4.320 -0.001 0.000 0.205 190 K C 0.537 177.197 176.600 0.100 0.000 1.051 190 K CA 0.793 57.121 56.287 0.069 0.000 0.941 190 K CB 0.297 32.830 32.500 0.054 0.000 0.719 190 K HN -0.071 nan 8.250 nan 0.000 0.440 191 D N -0.174 120.284 120.400 0.097 0.000 2.736 191 D HA 0.039 4.678 4.640 -0.001 0.000 0.243 191 D C -0.063 176.291 176.300 0.091 0.000 1.304 191 D CA -0.328 53.743 54.000 0.119 0.000 0.934 191 D CB 1.857 42.717 40.800 0.100 0.000 1.382 191 D HN -0.149 nan 8.370 nan 0.000 0.571 192 L N 4.153 125.434 121.223 0.096 0.000 2.109 192 L HA 0.242 4.581 4.340 -0.001 0.000 0.207 192 L C 1.028 177.805 176.870 -0.156 0.000 1.086 192 L CA 1.419 56.243 54.840 -0.026 0.000 0.760 192 L CB -0.460 41.621 42.059 0.038 0.000 0.910 192 L HN 0.366 nan 8.230 nan 0.000 0.437 193 F N -0.140 119.779 119.950 -0.053 0.000 2.730 193 F HA 0.031 4.557 4.527 -0.001 0.000 0.333 193 F C 1.518 177.311 175.800 -0.011 0.000 1.215 193 F CA 0.179 58.133 58.000 -0.076 0.000 1.388 193 F CB -0.769 38.138 39.000 -0.154 0.000 1.418 193 F HN -0.032 nan 8.300 nan 0.000 0.576 194 T N -0.279 114.341 114.554 0.110 0.000 3.044 194 T HA 0.115 4.464 4.350 -0.001 0.000 0.250 194 T C 1.810 176.557 174.700 0.078 0.000 1.081 194 T CA 0.434 62.587 62.100 0.088 0.000 1.040 194 T CB 0.090 68.991 68.868 0.055 0.000 0.962 194 T HN 0.332 nan 8.240 nan 0.000 0.506 195 L N 0.345 121.614 121.223 0.076 0.000 2.529 195 L HA 0.129 4.468 4.340 -0.001 0.000 0.223 195 L C 2.469 179.400 176.870 0.102 0.000 1.113 195 L CA 0.356 55.234 54.840 0.062 0.000 0.861 195 L CB -0.971 41.103 42.059 0.025 0.000 1.012 195 L HN 0.116 nan 8.230 nan 0.000 0.461 196 T N 0.905 115.560 114.554 0.169 0.000 2.802 196 T HA -0.194 4.156 4.350 -0.001 0.000 0.269 196 T C 1.089 175.886 174.700 0.162 0.000 1.062 196 T CA 1.645 63.878 62.100 0.223 0.000 1.133 196 T CB -0.216 68.823 68.868 0.284 0.000 0.852 196 T HN 0.601 nan 8.240 nan 0.000 0.485 197 E N 0.032 120.303 120.200 0.117 0.000 3.575 197 E HA 0.393 4.742 4.350 -0.001 0.000 0.201 197 E C -0.843 175.792 176.600 0.057 0.000 0.999 197 E CA -0.237 56.218 56.400 0.091 0.000 1.315 197 E CB 0.308 30.061 29.700 0.088 0.000 1.146 197 E HN 0.149 nan 8.360 nan 0.000 0.453 198 V N 1.782 121.729 119.914 0.055 0.000 2.815 198 V HA 0.137 4.256 4.120 -0.001 0.000 0.314 198 V C 0.361 176.471 176.094 0.026 0.000 1.064 198 V CA -1.026 61.293 62.300 0.032 0.000 0.952 198 V CB 1.908 33.749 31.823 0.030 0.000 1.020 198 V HN 0.453 nan 8.190 nan 0.000 0.439 199 E N 2.682 122.890 120.200 0.013 0.000 2.565 199 E HA 0.188 4.537 4.350 -0.001 0.000 0.268 199 E C 1.036 177.646 176.600 0.015 0.000 1.000 199 E CA 0.552 56.959 56.400 0.010 0.000 0.964 199 E CB 0.040 29.741 29.700 0.001 0.000 0.955 199 E HN 1.164 nan 8.360 nan 0.000 0.459 200 G N 3.721 112.532 108.800 0.018 0.000 4.610 200 G HA2 -0.395 3.565 3.960 -0.001 0.000 0.323 200 G HA3 -0.395 3.565 3.960 -0.001 0.000 0.323 200 G C 0.522 175.436 174.900 0.023 0.000 1.377 200 G CA 0.645 45.755 45.100 0.018 0.000 1.023 200 G HN 1.033 nan 8.290 nan 0.000 0.755 201 I N 2.554 123.134 120.570 0.017 0.000 2.779 201 I HA 0.654 4.824 4.170 -0.001 0.000 0.285 201 I C 0.844 176.982 176.117 0.035 0.000 1.134 201 I CA 0.664 61.974 61.300 0.016 0.000 1.398 201 I CB 0.255 38.256 38.000 0.001 0.000 1.404 201 I HN 1.147 nan 8.210 nan 0.000 0.587 202 G N 3.226 112.048 108.800 0.036 0.000 3.140 202 G HA2 0.400 4.359 3.960 -0.001 0.000 0.271 202 G HA3 0.400 4.359 3.960 -0.001 0.000 0.271 202 G C -0.157 174.774 174.900 0.051 0.000 1.370 202 G CA -0.524 44.621 45.100 0.074 0.000 1.014 202 G HN 0.704 nan 8.290 nan 0.000 0.541 203 F N -0.018 119.872 119.950 -0.099 0.000 2.065 203 F HA -0.140 4.387 4.527 -0.001 0.000 0.298 203 F C 2.395 178.061 175.800 -0.223 0.000 1.112 203 F CA 2.016 59.903 58.000 -0.189 0.000 1.212 203 F CB -0.197 38.522 39.000 -0.468 0.000 0.975 203 F HN 0.233 nan 8.300 nan 0.000 0.476 204 L N 0.708 121.680 121.223 -0.419 0.000 2.021 204 L HA -0.282 4.057 4.340 -0.001 0.000 0.215 204 L C 2.802 179.510 176.870 -0.270 0.000 1.074 204 L CA 2.789 57.402 54.840 -0.378 0.000 0.760 204 L CB -1.342 40.619 42.059 -0.164 0.000 0.889 204 L HN 0.569 nan 8.230 nan 0.000 0.433 205 T N -3.756 110.698 114.554 -0.167 0.000 2.770 205 T HA -0.085 4.265 4.350 -0.001 0.000 0.263 205 T C 1.848 176.469 174.700 -0.132 0.000 1.039 205 T CA 0.891 62.925 62.100 -0.111 0.000 1.142 205 T CB -0.859 67.972 68.868 -0.062 0.000 0.868 205 T HN 0.310 nan 8.240 nan 0.000 0.435 206 A N 1.385 124.113 122.820 -0.154 0.000 2.121 206 A HA -0.012 4.307 4.320 -0.001 0.000 0.218 206 A C 2.017 179.462 177.584 -0.233 0.000 1.154 206 A CA 1.702 53.624 52.037 -0.191 0.000 0.679 206 A CB -0.923 17.989 19.000 -0.147 0.000 0.795 206 A HN 0.639 nan 8.150 nan 0.000 0.458 207 D N 0.337 120.618 120.400 -0.198 0.000 2.120 207 D HA -0.144 4.496 4.640 -0.001 0.000 0.202 207 D C 2.069 178.391 176.300 0.037 0.000 0.972 207 D CA 1.560 55.516 54.000 -0.075 0.000 0.837 207 D CB -0.123 40.353 40.800 -0.541 0.000 0.989 207 D HN 0.588 nan 8.370 nan 0.000 0.469 208 K N 0.477 120.852 120.400 -0.042 0.000 2.155 208 K HA -0.049 4.270 4.320 -0.001 0.000 0.203 208 K C 2.038 178.639 176.600 0.002 0.000 1.052 208 K CA 0.619 56.904 56.287 -0.002 0.000 0.948 208 K CB -0.336 32.148 32.500 -0.026 0.000 0.728 208 K HN 0.177 nan 8.250 nan 0.000 0.448 209 L N 0.647 121.854 121.223 -0.025 0.000 2.552 209 L HA -0.016 4.323 4.340 -0.001 0.000 0.227 209 L C 1.307 178.164 176.870 -0.022 0.000 1.146 209 L CA 1.113 55.929 54.840 -0.041 0.000 0.858 209 L CB -0.600 41.419 42.059 -0.068 0.000 0.969 209 L HN 0.572 nan 8.230 nan 0.000 0.451 210 W N 0.474 121.649 121.300 -0.209 0.000 2.762 210 W HA -0.019 4.641 4.660 -0.001 0.000 0.265 210 W C 1.701 178.173 176.519 -0.079 0.000 1.263 210 W CA 0.219 57.437 57.345 -0.213 0.000 1.411 210 W CB 0.141 29.382 29.460 -0.365 0.000 1.065 210 W HN 0.252 nan 8.180 nan 0.000 0.609 211 Q N 0.349 120.216 119.800 0.112 0.000 2.250 211 Q HA 0.044 4.383 4.340 -0.001 0.000 0.200 211 Q C 2.399 178.367 176.000 -0.052 0.000 0.941 211 Q CA 1.237 57.062 55.803 0.037 0.000 0.872 211 Q CB -0.190 28.621 28.738 0.121 0.000 0.965 211 Q HN 0.143 nan 8.270 nan 0.000 0.480 212 A N 1.085 123.879 122.820 -0.044 0.000 2.119 212 A HA -0.078 4.241 4.320 -0.001 0.000 0.217 212 A C 1.551 179.080 177.584 -0.093 0.000 1.153 212 A CA 0.680 52.684 52.037 -0.056 0.000 0.692 212 A CB -0.056 18.920 19.000 -0.040 0.000 0.799 212 A HN 0.097 nan 8.150 nan 0.000 0.458 213 R N -0.920 119.492 120.500 -0.147 0.000 2.903 213 R HA 0.422 4.761 4.340 -0.001 0.000 0.363 213 R C 0.816 176.944 176.300 -0.287 0.000 1.161 213 R CA 0.537 56.526 56.100 -0.185 0.000 1.109 213 R CB -0.621 29.573 30.300 -0.176 0.000 1.399 213 R HN 0.592 nan 8.270 nan 0.000 0.587 214 G N 0.256 108.906 108.800 -0.251 0.000 2.554 214 G HA2 -0.085 3.874 3.960 -0.001 0.000 0.253 214 G HA3 -0.085 3.874 3.960 -0.001 0.000 0.253 214 G C 0.186 174.825 174.900 -0.434 0.000 1.172 214 G CA -0.304 44.621 45.100 -0.292 0.000 0.950 214 G HN 1.113 nan 8.290 nan 0.000 0.557 215 G N -0.838 107.538 108.800 -0.707 0.000 3.277 215 G HA2 0.461 4.420 3.960 -0.001 0.000 0.684 215 G HA3 0.461 4.420 3.960 -0.001 0.000 0.684 215 G C 0.128 175.005 174.900 -0.039 0.000 0.923 215 G CA 0.971 45.468 45.100 -1.006 0.000 0.779 215 G HN 2.512 nan 8.290 nan 0.000 0.508 216 A N 3.439 126.443 122.820 0.306 0.000 2.269 216 A HA 0.683 5.002 4.320 -0.001 0.000 0.302 216 A C 1.550 179.394 177.584 0.434 0.000 1.266 216 A CA -0.158 52.065 52.037 0.311 0.000 0.894 216 A CB 0.412 19.548 19.000 0.226 0.000 1.147 216 A HN 1.316 nan 8.150 nan 0.000 0.537 217 L N 1.223 122.629 121.223 0.305 0.000 2.351 217 L HA -0.207 4.132 4.340 -0.001 0.000 0.220 217 L C 0.957 177.921 176.870 0.157 0.000 1.127 217 L CA 1.419 56.400 54.840 0.235 0.000 0.786 217 L CB -0.288 41.869 42.059 0.162 0.000 0.914 217 L HN 0.698 nan 8.230 nan 0.000 0.443 218 D N -1.625 118.867 120.400 0.153 0.000 2.367 218 D HA -0.045 4.594 4.640 -0.001 0.000 0.207 218 D C 0.561 176.925 176.300 0.106 0.000 1.034 218 D CA 0.009 54.070 54.000 0.102 0.000 0.861 218 D CB 0.077 40.928 40.800 0.086 0.000 0.943 218 D HN 0.111 nan 8.370 nan 0.000 0.515 219 D N 1.343 121.851 120.400 0.179 0.000 2.520 219 D HA -0.068 4.571 4.640 -0.001 0.000 0.243 219 D C -1.185 175.159 176.300 0.073 0.000 1.160 219 D CA -1.308 52.808 54.000 0.194 0.000 0.877 219 D CB 1.210 42.268 40.800 0.430 0.000 1.150 219 D HN 0.044 nan 8.370 nan 0.000 0.494 220 P HA -0.197 nan 4.420 nan 0.000 0.218 220 P C 0.960 178.243 177.300 -0.029 0.000 1.146 220 P CA 1.083 64.190 63.100 0.012 0.000 0.813 220 P CB 0.325 32.045 31.700 0.032 0.000 0.778 221 R N -0.373 120.121 120.500 -0.010 0.000 2.148 221 R HA -0.003 4.336 4.340 -0.001 0.000 0.227 221 R C 2.688 178.857 176.300 -0.219 0.000 1.103 221 R CA 1.011 57.090 56.100 -0.036 0.000 0.983 221 R CB -0.871 29.458 30.300 0.048 0.000 0.874 221 R HN 0.173 nan 8.270 nan 0.000 0.451 222 R N -0.102 120.152 120.500 -0.410 0.000 2.093 222 R HA -0.013 4.326 4.340 -0.001 0.000 0.224 222 R C 1.423 177.413 176.300 -0.516 0.000 1.101 222 R CA 0.817 56.351 56.100 -0.944 0.000 0.979 222 R CB -0.047 29.799 30.300 -0.755 0.000 0.877 222 R HN 0.065 nan 8.270 nan 0.000 0.441 223 L N 0.307 121.373 121.223 -0.262 0.000 1.994 223 L HA -0.168 4.172 4.340 -0.001 0.000 0.208 223 L C 2.606 179.367 176.870 -0.181 0.000 1.071 223 L CA 2.258 56.994 54.840 -0.174 0.000 0.745 223 L CB -1.197 40.810 42.059 -0.088 0.000 0.892 223 L HN 0.210 nan 8.230 nan 0.000 0.431 224 T N -1.139 113.331 114.554 -0.141 0.000 2.737 224 T HA -0.235 4.114 4.350 -0.001 0.000 0.269 224 T C 1.874 176.493 174.700 -0.135 0.000 1.040 224 T CA 1.590 63.628 62.100 -0.102 0.000 1.142 224 T CB -0.141 68.695 68.868 -0.053 0.000 0.861 224 T HN 0.370 nan 8.240 nan 0.000 0.456 225 A N 0.872 123.574 122.820 -0.196 0.000 1.898 225 A HA 0.338 4.658 4.320 -0.001 0.000 0.216 225 A C 2.770 180.089 177.584 -0.441 0.000 1.181 225 A CA 1.830 53.755 52.037 -0.186 0.000 0.620 225 A CB -1.307 17.610 19.000 -0.139 0.000 0.819 225 A HN 0.707 nan 8.150 nan 0.000 0.442 226 A N -0.129 122.321 122.820 -0.616 0.000 1.978 226 A HA 0.144 4.464 4.320 -0.001 0.000 0.220 226 A C 2.427 179.781 177.584 -0.384 0.000 1.170 226 A CA 2.024 53.569 52.037 -0.820 0.000 0.636 226 A CB -0.827 17.898 19.000 -0.459 0.000 0.810 226 A HN 0.988 nan 8.150 nan 0.000 0.448 227 A N -0.586 122.097 122.820 -0.229 0.000 1.898 227 A HA 0.053 4.373 4.320 -0.001 0.000 0.216 227 A C 2.200 179.728 177.584 -0.093 0.000 1.181 227 A CA 1.597 53.562 52.037 -0.120 0.000 0.620 227 A CB -0.871 18.083 19.000 -0.078 0.000 0.819 227 A HN 0.373 nan 8.150 nan 0.000 0.442 228 V N -1.189 118.672 119.914 -0.089 0.000 2.332 228 V HA -0.288 3.832 4.120 -0.001 0.000 0.248 228 V C 2.398 178.481 176.094 -0.018 0.000 1.055 228 V CA 2.162 64.446 62.300 -0.026 0.000 1.038 228 V CB -1.072 30.756 31.823 0.009 0.000 0.651 228 V HN 0.711 nan 8.190 nan 0.000 0.450 229 Y N 1.487 121.631 120.300 -0.260 0.000 2.274 229 Y HA -0.195 4.354 4.550 -0.001 0.000 0.290 229 Y C 2.327 178.100 175.900 -0.212 0.000 1.145 229 Y CA 1.081 59.013 58.100 -0.280 0.000 1.203 229 Y CB -0.637 37.453 38.460 -0.616 0.000 0.984 229 Y HN 0.155 nan 8.280 nan 0.000 0.533 230 A N 0.157 122.854 122.820 -0.205 0.000 1.877 230 A HA -0.131 4.188 4.320 -0.001 0.000 0.216 230 A C 2.233 179.747 177.584 -0.116 0.000 1.186 230 A CA 1.671 53.625 52.037 -0.137 0.000 0.620 230 A CB -0.941 18.053 19.000 -0.011 0.000 0.822 230 A HN 0.442 nan 8.150 nan 0.000 0.443 231 L N -0.279 120.897 121.223 -0.078 0.000 2.027 231 L HA -0.185 4.154 4.340 -0.001 0.000 0.206 231 L C 2.741 179.578 176.870 -0.055 0.000 1.074 231 L CA 1.912 56.725 54.840 -0.044 0.000 0.745 231 L CB -1.645 40.410 42.059 -0.006 0.000 0.898 231 L HN 0.556 nan 8.230 nan 0.000 0.433 232 Q N -0.751 119.011 119.800 -0.064 0.000 2.077 232 Q HA -0.261 4.078 4.340 -0.001 0.000 0.206 232 Q C 2.165 178.091 176.000 -0.124 0.000 0.989 232 Q CA 1.265 57.042 55.803 -0.043 0.000 0.853 232 Q CB -0.234 28.509 28.738 0.008 0.000 0.907 232 Q HN 0.254 nan 8.270 nan 0.000 0.418 233 L N 0.424 121.466 121.223 -0.302 0.000 2.131 233 L HA -0.135 4.204 4.340 -0.001 0.000 0.210 233 L C 2.239 179.025 176.870 -0.140 0.000 1.092 233 L CA 1.782 56.399 54.840 -0.372 0.000 0.759 233 L CB -1.115 40.434 42.059 -0.850 0.000 0.903 233 L HN 0.177 nan 8.230 nan 0.000 0.435 234 A N -0.945 121.841 122.820 -0.058 0.000 1.933 234 A HA -0.097 4.222 4.320 -0.001 0.000 0.218 234 A C 2.364 179.965 177.584 0.030 0.000 1.175 234 A CA 1.671 53.741 52.037 0.054 0.000 0.628 234 A CB -1.126 17.902 19.000 0.046 0.000 0.814 234 A HN 0.449 nan 8.150 nan 0.000 0.444 235 G N -2.022 106.771 108.800 -0.011 0.000 2.426 235 G HA2 -0.017 3.942 3.960 -0.001 0.000 0.214 235 G HA3 -0.017 3.942 3.960 -0.001 0.000 0.214 235 G C 1.559 176.439 174.900 -0.033 0.000 1.156 235 G CA 1.385 46.473 45.100 -0.020 0.000 0.802 235 G HN 0.397 nan 8.290 nan 0.000 0.534 236 T N 0.472 115.004 114.554 -0.036 0.000 2.777 236 T HA -0.064 4.286 4.350 -0.001 0.000 0.266 236 T C 2.510 177.187 174.700 -0.039 0.000 1.040 236 T CA 1.300 63.380 62.100 -0.034 0.000 1.141 236 T CB -0.028 68.810 68.868 -0.049 0.000 0.868 236 T HN 0.149 nan 8.240 nan 0.000 0.444 237 Q N -0.225 119.549 119.800 -0.045 0.000 2.259 237 Q HA 0.331 4.670 4.340 -0.001 0.000 0.201 237 Q C 2.059 178.029 176.000 -0.050 0.000 0.938 237 Q CA 0.896 56.684 55.803 -0.024 0.000 0.872 237 Q CB 0.020 28.769 28.738 0.018 0.000 0.971 237 Q HN 0.510 nan 8.270 nan 0.000 0.494 238 A N -0.730 122.030 122.820 -0.100 0.000 2.324 238 A HA 0.477 4.797 4.320 -0.001 0.000 0.220 238 A C 1.300 178.655 177.584 -0.381 0.000 1.209 238 A CA 0.735 52.620 52.037 -0.253 0.000 0.918 238 A CB 0.387 19.186 19.000 -0.335 0.000 0.959 238 A HN 0.327 nan 8.150 nan 0.000 0.507 239 G N -0.086 108.571 108.800 -0.238 0.000 2.147 239 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.244 239 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.244 239 G C -0.049 174.723 174.900 -0.215 0.000 1.005 239 G CA 0.259 45.247 45.100 -0.187 0.000 0.713 239 G HN 0.654 nan 8.290 nan 0.000 0.515 240 H N 0.283 119.268 119.070 -0.142 0.000 2.683 240 H HA 0.406 4.962 4.556 -0.001 0.000 0.339 240 H C 1.354 176.544 175.328 -0.230 0.000 1.081 240 H CA 0.603 56.500 56.048 -0.252 0.000 1.432 240 H CB 1.546 31.127 29.762 -0.303 0.000 1.462 240 H HN 0.141 nan 8.280 nan 0.000 0.557 241 S N 2.871 118.479 115.700 -0.153 0.000 2.501 241 S HA 0.080 4.549 4.470 -0.001 0.000 0.220 241 S C 0.182 174.680 174.600 -0.169 0.000 0.997 241 S CA 0.265 58.436 58.200 -0.049 0.000 0.919 241 S CB 0.112 63.381 63.200 0.115 0.000 0.778 241 S HN 0.582 nan 8.310 nan 0.000 0.523 242 F N -1.222 118.496 119.950 -0.386 0.000 2.779 242 F HA 0.722 5.248 4.527 -0.002 0.000 0.316 242 F C -1.953 173.604 175.800 -0.406 0.000 1.164 242 F CA -1.555 56.046 58.000 -0.665 0.000 0.924 242 F CB 0.982 39.094 39.000 -1.481 0.000 1.348 242 F HN -0.280 nan 8.300 nan 0.000 0.467 243 L N 1.746 122.970 121.223 0.003 0.000 2.436 243 L HA 0.549 4.888 4.340 -0.001 0.000 0.268 243 L C -2.759 174.160 176.870 0.082 0.000 0.974 243 L CA -2.137 52.670 54.840 -0.055 0.000 0.826 243 L CB 2.893 44.883 42.059 -0.115 0.000 1.291 243 L HN 0.367 nan 8.230 nan 0.000 0.406 244 P HA 0.087 nan 4.420 nan 0.000 0.268 244 P C 0.321 177.621 177.300 -0.001 0.000 1.205 244 P CA -0.160 62.964 63.100 0.041 0.000 0.771 244 P CB 0.682 32.396 31.700 0.022 0.000 0.858 245 R N 2.200 122.698 120.500 -0.005 0.000 2.165 245 R HA -0.240 4.099 4.340 -0.001 0.000 0.254 245 R C 1.844 178.134 176.300 -0.017 0.000 1.153 245 R CA 2.446 58.541 56.100 -0.009 0.000 0.971 245 R CB -0.667 29.627 30.300 -0.009 0.000 0.878 245 R HN 0.393 nan 8.270 nan 0.000 0.449 246 S N 0.025 115.713 115.700 -0.019 0.000 2.354 246 S HA -0.120 4.350 4.470 -0.001 0.000 0.219 246 S C 1.764 176.343 174.600 -0.035 0.000 1.035 246 S CA 1.362 59.547 58.200 -0.025 0.000 1.037 246 S CB -0.194 62.990 63.200 -0.025 0.000 0.956 246 S HN 0.371 nan 8.310 nan 0.000 0.428 247 R N 1.495 121.967 120.500 -0.046 0.000 2.170 247 R HA -0.026 4.313 4.340 -0.001 0.000 0.242 247 R C 2.180 178.447 176.300 -0.056 0.000 1.145 247 R CA 1.243 57.303 56.100 -0.065 0.000 0.984 247 R CB -1.326 28.912 30.300 -0.103 0.000 0.869 247 R HN 0.483 nan 8.270 nan 0.000 0.455 248 A N 1.153 123.948 122.820 -0.042 0.000 1.854 248 A HA -0.119 4.201 4.320 -0.001 0.000 0.214 248 A C 2.079 179.649 177.584 -0.024 0.000 1.192 248 A CA 1.057 53.076 52.037 -0.030 0.000 0.611 248 A CB -0.338 18.649 19.000 -0.022 0.000 0.832 248 A HN 0.312 nan 8.150 nan 0.000 0.442 249 E N -0.405 119.781 120.200 -0.024 0.000 2.118 249 E HA -0.218 4.131 4.350 -0.001 0.000 0.195 249 E C 2.060 178.647 176.600 -0.023 0.000 0.992 249 E CA 1.497 57.884 56.400 -0.021 0.000 0.804 249 E CB -0.095 29.593 29.700 -0.019 0.000 0.741 249 E HN 0.578 nan 8.360 nan 0.000 0.458 250 K N -0.232 120.149 120.400 -0.031 0.000 2.057 250 K HA -0.084 4.236 4.320 -0.001 0.000 0.206 250 K C 2.122 178.694 176.600 -0.045 0.000 1.050 250 K CA 1.129 57.392 56.287 -0.040 0.000 0.935 250 K CB -0.144 32.323 32.500 -0.054 0.000 0.715 250 K HN 0.164 nan 8.250 nan 0.000 0.439 251 G N 0.016 108.792 108.800 -0.041 0.000 2.422 251 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.218 251 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.218 251 G C 1.400 176.303 174.900 0.004 0.000 1.140 251 G CA 0.686 45.763 45.100 -0.037 0.000 0.775 251 G HN 0.146 nan 8.290 nan 0.000 0.545 252 V N 0.596 120.517 119.914 0.012 0.000 2.358 252 V HA -0.148 3.971 4.120 -0.001 0.000 0.246 252 V C 2.976 179.083 176.094 0.021 0.000 1.047 252 V CA 1.334 63.645 62.300 0.018 0.000 1.035 252 V CB -0.302 31.511 31.823 -0.017 0.000 0.658 252 V HN 0.245 nan 8.190 nan 0.000 0.452 253 V N -0.058 119.860 119.914 0.007 0.000 2.490 253 V HA -0.280 3.840 4.120 -0.001 0.000 0.250 253 V C 2.323 178.437 176.094 0.033 0.000 1.061 253 V CA 2.372 64.682 62.300 0.016 0.000 1.064 253 V CB -0.907 30.920 31.823 0.006 0.000 0.670 253 V HN 0.726 nan 8.190 nan 0.000 0.461 254 H N -1.481 117.505 119.070 -0.139 0.000 2.448 254 H HA -0.060 4.495 4.556 -0.001 0.000 0.292 254 H C 1.556 176.781 175.328 -0.172 0.000 1.035 254 H CA 1.125 57.038 56.048 -0.226 0.000 1.349 254 H CB 0.295 29.799 29.762 -0.431 0.000 1.425 254 H HN 0.456 nan 8.280 nan 0.000 0.539 255 Y N 0.725 120.959 120.300 -0.109 0.000 2.493 255 Y HA 0.194 4.744 4.550 -0.001 0.000 0.275 255 Y C 0.741 176.677 175.900 0.060 0.000 1.183 255 Y CA 0.030 58.079 58.100 -0.084 0.000 1.258 255 Y CB 0.504 38.938 38.460 -0.043 0.000 1.108 255 Y HN 0.117 nan 8.280 nan 0.000 0.521 256 T N -1.860 112.780 114.554 0.144 0.000 2.420 256 T HA 0.350 4.700 4.350 -0.001 0.000 0.183 256 T C 0.342 175.092 174.700 0.082 0.000 0.729 256 T CA -0.507 61.671 62.100 0.131 0.000 1.365 256 T CB 1.596 70.515 68.868 0.085 0.000 2.215 256 T HN -0.034 nan 8.240 nan 0.000 0.423 257 R N 0.480 121.018 120.500 0.063 0.000 2.374 257 R HA 0.152 4.491 4.340 -0.001 0.000 0.064 257 R C 0.303 176.628 176.300 0.042 0.000 0.519 257 R CA 0.285 56.416 56.100 0.052 0.000 0.886 257 R CB -0.352 29.983 30.300 0.059 0.000 0.970 257 R HN 0.431 nan 8.270 nan 0.000 0.542 258 V N -0.366 119.571 119.914 0.037 0.000 3.930 258 V HA 0.322 4.441 4.120 -0.001 0.000 0.279 258 V C 0.817 176.924 176.094 0.022 0.000 1.009 258 V CA 0.342 62.660 62.300 0.030 0.000 1.018 258 V CB 0.268 32.105 31.823 0.024 0.000 1.220 258 V HN 0.276 nan 8.190 nan 0.000 0.448 259 T N -1.774 112.791 114.554 0.019 0.000 2.780 259 T HA 0.432 4.781 4.350 -0.001 0.000 0.294 259 T C -2.447 172.258 174.700 0.008 0.000 0.949 259 T CA -1.714 60.395 62.100 0.014 0.000 1.074 259 T CB 0.717 69.594 68.868 0.015 0.000 0.910 259 T HN 0.706 nan 8.240 nan 0.000 0.501 260 P HA 0.246 nan 4.420 nan 0.000 0.245 260 P C 0.860 178.159 177.300 -0.001 0.000 1.670 260 P CA 0.433 63.533 63.100 -0.001 0.000 1.146 260 P CB -0.409 31.289 31.700 -0.003 0.000 1.954 261 G N 0.872 109.672 108.800 0.000 0.000 4.242 261 G HA2 -0.102 3.857 3.960 -0.001 0.000 0.159 261 G HA3 -0.102 3.857 3.960 -0.001 0.000 0.159 261 G C 1.012 175.913 174.900 0.001 0.000 0.921 261 G CA -0.011 45.090 45.100 0.001 0.000 0.910 261 G HN 0.270 nan 8.290 nan 0.000 0.419 262 Q N 0.369 120.171 119.800 0.003 0.000 2.212 262 Q HA 0.273 4.612 4.340 -0.001 0.000 0.199 262 Q C 2.856 178.853 176.000 -0.005 0.000 0.950 262 Q CA 1.079 56.883 55.803 0.003 0.000 0.863 262 Q CB 0.062 28.806 28.738 0.009 0.000 0.944 262 Q HN 0.457 nan 8.270 nan 0.000 0.465 263 A N 1.597 124.413 122.820 -0.007 0.000 1.908 263 A HA -0.255 4.064 4.320 -0.001 0.000 0.218 263 A C 2.012 179.587 177.584 -0.015 0.000 1.181 263 A CA 1.704 53.732 52.037 -0.014 0.000 0.627 263 A CB -0.570 18.422 19.000 -0.013 0.000 0.818 263 A HN 0.281 nan 8.150 nan 0.000 0.445 264 R N -0.788 119.706 120.500 -0.010 0.000 2.105 264 R HA -0.154 4.185 4.340 -0.001 0.000 0.239 264 R C 1.958 178.253 176.300 -0.008 0.000 1.135 264 R CA 1.827 57.921 56.100 -0.009 0.000 0.967 264 R CB -0.410 29.886 30.300 -0.006 0.000 0.861 264 R HN 0.426 nan 8.270 nan 0.000 0.442 265 L N 0.526 121.745 121.223 -0.007 0.000 2.156 265 L HA 0.056 4.396 4.340 -0.001 0.000 0.208 265 L C 2.212 179.074 176.870 -0.012 0.000 1.095 265 L CA 1.888 56.725 54.840 -0.005 0.000 0.770 265 L CB -0.513 41.546 42.059 -0.000 0.000 0.914 265 L HN 0.269 nan 8.230 nan 0.000 0.439 266 A N -1.003 121.804 122.820 -0.021 0.000 1.858 266 A HA -0.136 4.184 4.320 -0.001 0.000 0.216 266 A C 2.236 179.799 177.584 -0.034 0.000 1.190 266 A CA 2.066 54.081 52.037 -0.037 0.000 0.617 266 A CB -1.134 17.834 19.000 -0.052 0.000 0.827 266 A HN 0.248 nan 8.150 nan 0.000 0.443 267 V N 0.168 120.066 119.914 -0.027 0.000 2.255 267 V HA -0.291 3.829 4.120 -0.001 0.000 0.247 267 V C 2.471 178.560 176.094 -0.009 0.000 1.051 267 V CA 2.382 64.671 62.300 -0.019 0.000 1.018 267 V CB -0.944 30.871 31.823 -0.014 0.000 0.641 267 V HN 0.628 nan 8.190 nan 0.000 0.445 268 E N -0.170 120.026 120.200 -0.007 0.000 2.058 268 E HA -0.215 4.134 4.350 -0.001 0.000 0.194 268 E C 2.304 178.904 176.600 -0.001 0.000 0.997 268 E CA 1.935 58.334 56.400 -0.002 0.000 0.801 268 E CB -0.298 29.401 29.700 -0.002 0.000 0.746 268 E HN 0.612 nan 8.360 nan 0.000 0.450 269 T N 0.847 115.399 114.554 -0.004 0.000 2.684 269 T HA -0.186 4.163 4.350 -0.001 0.000 0.267 269 T C 1.989 176.689 174.700 0.001 0.000 1.036 269 T CA 1.358 63.457 62.100 -0.001 0.000 1.148 269 T CB -0.279 68.586 68.868 -0.004 0.000 0.863 269 T HN 0.262 nan 8.240 nan 0.000 0.436 270 A N 0.916 123.733 122.820 -0.006 0.000 1.933 270 A HA -0.049 4.270 4.320 -0.001 0.000 0.218 270 A C 2.574 180.164 177.584 0.010 0.000 1.175 270 A CA 1.361 53.398 52.037 -0.001 0.000 0.628 270 A CB -0.984 18.009 19.000 -0.012 0.000 0.814 270 A HN 0.362 nan 8.150 nan 0.000 0.444 271 V N 0.987 120.907 119.914 0.009 0.000 2.237 271 V HA -0.307 3.812 4.120 -0.001 0.000 0.245 271 V C 2.583 178.685 176.094 0.013 0.000 1.046 271 V CA 2.414 64.722 62.300 0.014 0.000 1.007 271 V CB -1.056 30.774 31.823 0.011 0.000 0.638 271 V HN 0.929 nan 8.190 nan 0.000 0.445 272 E N 0.350 120.556 120.200 0.010 0.000 2.268 272 E HA -0.149 4.200 4.350 -0.001 0.000 0.195 272 E C 1.990 178.598 176.600 0.013 0.000 0.995 272 E CA 1.145 57.551 56.400 0.010 0.000 0.836 272 E CB -0.399 29.306 29.700 0.008 0.000 0.763 272 E HN 0.545 nan 8.360 nan 0.000 0.491 273 L N 0.446 121.677 121.223 0.015 0.000 2.551 273 L HA 0.090 4.429 4.340 -0.001 0.000 0.228 273 L C 1.380 178.263 176.870 0.022 0.000 1.153 273 L CA 0.675 55.526 54.840 0.018 0.000 0.851 273 L CB -0.384 41.686 42.059 0.019 0.000 0.959 273 L HN 0.583 nan 8.230 nan 0.000 0.451 274 G N 0.087 108.900 108.800 0.021 0.000 2.143 274 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.248 274 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.248 274 G C 0.981 175.902 174.900 0.035 0.000 0.991 274 G CA 0.122 45.237 45.100 0.025 0.000 0.689 274 G HN 0.353 nan 8.290 nan 0.000 0.522 275 R N -0.949 119.572 120.500 0.035 0.000 2.300 275 R HA 0.394 4.734 4.340 -0.001 0.000 0.199 275 R C 0.682 177.013 176.300 0.051 0.000 0.920 275 R CA 0.527 56.654 56.100 0.044 0.000 1.046 275 R CB 0.302 30.622 30.300 0.033 0.000 0.984 275 R HN 0.460 nan 8.270 nan 0.000 0.493 276 L N -0.008 121.243 121.223 0.046 0.000 2.505 276 L HA 0.290 4.630 4.340 -0.001 0.000 0.259 276 L C -0.765 176.138 176.870 0.055 0.000 0.952 276 L CA -0.582 54.292 54.840 0.058 0.000 0.840 276 L CB 2.620 44.706 42.059 0.045 0.000 1.358 276 L HN -0.123 nan 8.230 nan 0.000 0.409 277 S N 0.735 116.480 115.700 0.075 0.000 2.638 277 S HA 0.485 4.954 4.470 -0.001 0.000 0.298 277 S C -0.817 173.834 174.600 0.085 0.000 1.111 277 S CA -0.665 57.566 58.200 0.051 0.000 1.027 277 S CB 2.219 65.423 63.200 0.007 0.000 1.064 277 S HN 0.555 nan 8.310 nan 0.000 0.525 278 E N 1.367 121.592 120.200 0.042 0.000 2.191 278 E HA 0.386 4.735 4.350 -0.001 0.000 0.263 278 E C -1.266 175.340 176.600 0.010 0.000 0.881 278 E CA -0.387 56.041 56.400 0.048 0.000 0.757 278 E CB 0.517 30.229 29.700 0.020 0.000 1.147 278 E HN 0.577 nan 8.360 nan 0.000 0.414 294 G N 1.646 110.429 108.800 -0.028 0.000 2.760 294 G HA2 -0.044 3.916 3.960 -0.001 0.000 0.236 294 G HA3 -0.044 3.916 3.960 -0.001 0.000 0.236 294 G C -0.032 174.836 174.900 -0.054 0.000 1.243 294 G CA -0.212 44.863 45.100 -0.040 0.000 0.850 294 G HN 0.297 nan 8.290 nan 0.000 0.595 295 R N 0.242 120.680 120.500 -0.103 0.000 2.229 295 R HA 0.349 4.688 4.340 -0.001 0.000 0.328 295 R C 0.246 176.539 176.300 -0.011 0.000 1.009 295 R CA -0.460 55.525 56.100 -0.192 0.000 0.864 295 R CB 1.244 31.143 30.300 -0.667 0.000 1.085 295 R HN 0.619 nan 8.270 nan 0.000 0.453 296 I N -0.187 120.396 120.570 0.021 0.000 2.460 296 I HA 0.533 4.703 4.170 -0.001 0.000 0.298 296 I C -1.178 175.018 176.117 0.131 0.000 0.989 296 I CA -0.836 60.538 61.300 0.124 0.000 1.173 296 I CB 1.050 39.088 38.000 0.064 0.000 1.338 296 I HN 0.377 nan 8.210 nan 0.000 0.456 297 Y N 4.265 124.590 120.300 0.041 0.000 2.634 297 Y HA 0.581 5.131 4.550 -0.001 0.000 0.340 297 Y C -0.372 175.534 175.900 0.011 0.000 1.058 297 Y CA -1.138 56.990 58.100 0.047 0.000 1.081 297 Y CB 1.472 39.950 38.460 0.031 0.000 1.295 297 Y HN 0.466 nan 8.280 nan 0.000 0.487 298 L N 3.674 125.000 121.223 0.172 0.000 2.367 298 L HA 0.179 4.519 4.340 -0.001 0.000 0.275 298 L C -1.595 175.319 176.870 0.073 0.000 1.129 298 L CA -1.422 53.477 54.840 0.098 0.000 0.839 298 L CB 0.803 42.896 42.059 0.057 0.000 1.133 298 L HN 0.449 nan 8.230 nan 0.000 0.453 299 P HA -0.295 nan 4.420 nan 0.000 0.218 299 P C 1.448 178.783 177.300 0.058 0.000 1.165 299 P CA 1.822 64.968 63.100 0.076 0.000 0.922 299 P CB -0.152 31.608 31.700 0.101 0.000 0.794 300 H N -1.406 117.691 119.070 0.045 0.000 2.456 300 H HA -0.025 4.530 4.556 -0.001 0.000 0.296 300 H C 1.625 176.984 175.328 0.052 0.000 1.079 300 H CA 1.226 57.299 56.048 0.040 0.000 1.322 300 H CB -1.290 28.501 29.762 0.047 0.000 1.388 300 H HN 0.002 nan 8.280 nan 0.000 0.538 301 V N 1.665 121.265 119.914 -0.522 0.000 2.515 301 V HA -0.185 3.934 4.120 -0.001 0.000 0.250 301 V C 3.043 179.095 176.094 -0.071 0.000 1.058 301 V CA 1.207 63.345 62.300 -0.270 0.000 1.064 301 V CB -0.646 31.078 31.823 -0.165 0.000 0.675 301 V HN 0.306 nan 8.190 nan 0.000 0.461 302 L N -0.284 120.844 121.223 -0.158 0.000 2.027 302 L HA -0.161 4.178 4.340 -0.001 0.000 0.206 302 L C 2.892 179.631 176.870 -0.218 0.000 1.074 302 L CA 1.745 56.332 54.840 -0.422 0.000 0.745 302 L CB -0.304 41.424 42.059 -0.552 0.000 0.898 302 L HN 0.262 nan 8.230 nan 0.000 0.433 303 R N -0.520 119.910 120.500 -0.116 0.000 2.091 303 R HA -0.177 4.163 4.340 -0.001 0.000 0.238 303 R C 2.287 178.572 176.300 -0.026 0.000 1.136 303 R CA 1.374 57.441 56.100 -0.056 0.000 0.959 303 R CB -0.434 29.864 30.300 -0.004 0.000 0.856 303 R HN 0.439 nan 8.270 nan 0.000 0.437 304 A N 1.165 123.983 122.820 -0.002 0.000 1.858 304 A HA -0.248 4.071 4.320 -0.001 0.000 0.216 304 A C 2.053 179.649 177.584 0.020 0.000 1.190 304 A CA 1.668 53.724 52.037 0.031 0.000 0.617 304 A CB -0.545 18.490 19.000 0.059 0.000 0.827 304 A HN 0.437 nan 8.150 nan 0.000 0.443 305 E N -0.249 119.959 120.200 0.013 0.000 2.110 305 E HA -0.224 4.125 4.350 -0.001 0.000 0.193 305 E C 1.935 178.535 176.600 -0.001 0.000 0.988 305 E CA 1.475 57.895 56.400 0.033 0.000 0.804 305 E CB -0.083 29.670 29.700 0.088 0.000 0.745 305 E HN 0.625 nan 8.360 nan 0.000 0.458 306 K N 0.399 120.774 120.400 -0.042 0.000 2.103 306 K HA -0.091 4.228 4.320 -0.001 0.000 0.204 306 K C 2.241 178.825 176.600 -0.026 0.000 1.052 306 K CA 1.041 57.301 56.287 -0.046 0.000 0.945 306 K CB -0.005 32.449 32.500 -0.076 0.000 0.722 306 K HN -0.050 nan 8.250 nan 0.000 0.443 307 K N 1.150 121.539 120.400 -0.018 0.000 2.155 307 K HA -0.055 4.264 4.320 -0.001 0.000 0.203 307 K C 2.029 178.626 176.600 -0.004 0.000 1.052 307 K CA 0.598 56.876 56.287 -0.014 0.000 0.948 307 K CB 0.067 32.562 32.500 -0.008 0.000 0.728 307 K HN 0.130 nan 8.250 nan 0.000 0.448 308 L N 0.719 121.946 121.223 0.007 0.000 1.994 308 L HA -0.165 4.174 4.340 -0.001 0.000 0.208 308 L C 2.387 179.261 176.870 0.006 0.000 1.071 308 L CA 1.709 56.556 54.840 0.012 0.000 0.745 308 L CB -0.609 41.465 42.059 0.025 0.000 0.892 308 L HN 0.241 nan 8.230 nan 0.000 0.431 309 A N -1.087 121.737 122.820 0.006 0.000 1.940 309 A HA -0.264 4.056 4.320 -0.001 0.000 0.219 309 A C 2.484 180.066 177.584 -0.004 0.000 1.176 309 A CA 2.072 54.111 52.037 0.003 0.000 0.631 309 A CB -0.766 18.236 19.000 0.004 0.000 0.814 309 A HN 0.561 nan 8.150 nan 0.000 0.446 310 S N -0.512 115.182 115.700 -0.009 0.000 2.355 310 S HA -0.095 4.374 4.470 -0.001 0.000 0.222 310 S C 1.963 176.556 174.600 -0.011 0.000 1.031 310 S CA 1.396 59.588 58.200 -0.013 0.000 0.993 310 S CB -0.479 62.709 63.200 -0.020 0.000 0.859 310 S HN 0.503 nan 8.310 nan 0.000 0.453 311 L N 0.880 122.097 121.223 -0.009 0.000 2.017 311 L HA -0.088 4.251 4.340 -0.001 0.000 0.208 311 L C 2.465 179.332 176.870 -0.006 0.000 1.073 311 L CA 1.434 56.270 54.840 -0.007 0.000 0.745 311 L CB -0.558 41.499 42.059 -0.003 0.000 0.894 311 L HN 0.378 nan 8.230 nan 0.000 0.432 312 I N -0.683 119.883 120.570 -0.005 0.000 2.286 312 I HA -0.302 3.868 4.170 -0.001 0.000 0.248 312 I C 2.783 178.896 176.117 -0.007 0.000 1.115 312 I CA 1.144 62.439 61.300 -0.007 0.000 1.392 312 I CB -0.295 37.701 38.000 -0.007 0.000 1.065 312 I HN 0.217 nan 8.210 nan 0.000 0.418 313 R N 0.397 120.893 120.500 -0.006 0.000 2.082 313 R HA -0.203 4.137 4.340 -0.001 0.000 0.234 313 R C 2.529 178.827 176.300 -0.004 0.000 1.136 313 R CA 2.434 58.531 56.100 -0.006 0.000 0.935 313 R CB -0.748 29.547 30.300 -0.007 0.000 0.842 313 R HN 0.504 nan 8.270 nan 0.000 0.430 314 T N -0.665 113.887 114.554 -0.004 0.000 2.833 314 T HA -0.081 4.269 4.350 -0.001 0.000 0.269 314 T C 1.950 176.651 174.700 0.001 0.000 1.054 314 T CA 0.939 63.038 62.100 -0.002 0.000 1.135 314 T CB -0.226 68.640 68.868 -0.004 0.000 0.869 314 T HN 0.144 nan 8.240 nan 0.000 0.466 315 L N -0.107 121.115 121.223 -0.001 0.000 2.093 315 L HA 0.129 4.468 4.340 -0.001 0.000 0.208 315 L C 2.649 179.522 176.870 0.006 0.000 1.085 315 L CA 1.061 55.900 54.840 -0.001 0.000 0.755 315 L CB -0.328 41.727 42.059 -0.007 0.000 0.904 315 L HN 0.306 nan 8.230 nan 0.000 0.435 316 L N -1.101 120.124 121.223 0.004 0.000 2.313 316 L HA -0.028 4.311 4.340 -0.001 0.000 0.214 316 L C 2.214 179.102 176.870 0.032 0.000 1.119 316 L CA 0.610 55.458 54.840 0.013 0.000 0.809 316 L CB -0.285 41.772 42.059 -0.004 0.000 0.933 316 L HN 0.185 nan 8.230 nan 0.000 0.449 317 A N -0.994 121.837 122.820 0.019 0.000 2.343 317 A HA 0.152 4.471 4.320 -0.001 0.000 0.223 317 A C 0.939 178.529 177.584 0.011 0.000 1.214 317 A CA 0.258 52.306 52.037 0.017 0.000 0.900 317 A CB -0.123 18.882 19.000 0.008 0.000 0.942 317 A HN 0.311 nan 8.150 nan 0.000 0.507 318 T N -0.397 114.162 114.554 0.009 0.000 2.859 318 T HA 0.621 4.970 4.350 -0.001 0.000 0.281 318 T C -3.033 171.663 174.700 -0.006 0.000 1.005 318 T CA -2.281 59.819 62.100 0.001 0.000 1.025 318 T CB 2.030 70.899 68.868 0.001 0.000 0.977 318 T HN 0.065 nan 8.240 nan 0.000 0.458 319 P HA 0.346 nan 4.420 nan 0.000 0.284 319 P C -2.679 174.608 177.300 -0.023 0.000 1.253 319 P CA -1.887 61.193 63.100 -0.034 0.000 0.800 319 P CB 0.221 31.900 31.700 -0.034 0.000 0.961 320 P HA 0.304 nan 4.420 nan 0.000 0.271 320 P C -0.644 176.662 177.300 0.009 0.000 1.216 320 P CA 0.306 63.397 63.100 -0.015 0.000 0.776 320 P CB 0.627 32.304 31.700 -0.039 0.000 0.881 321 A N 1.830 124.663 122.820 0.022 0.000 2.410 321 A HA 0.602 4.921 4.320 -0.001 0.000 0.300 321 A C -1.744 175.857 177.584 0.029 0.000 1.077 321 A CA -0.375 51.678 52.037 0.028 0.000 0.610 321 A CB 0.585 19.595 19.000 0.017 0.000 1.371 321 A HN 0.496 nan 8.150 nan 0.000 0.510 326 N N 0.815 119.527 118.700 0.020 0.000 2.573 326 N HA 0.527 5.266 4.740 -0.001 0.000 0.262 326 N C -1.797 173.738 175.510 0.042 0.000 1.029 326 N CA -0.541 52.525 53.050 0.027 0.000 0.882 326 N CB 1.870 40.372 38.487 0.025 0.000 1.204 326 N HN 0.205 nan 8.380 nan 0.000 0.519 327 D N 1.768 122.197 120.400 0.048 0.000 2.365 327 D HA 0.244 4.883 4.640 -0.001 0.000 0.235 327 D C -1.225 175.128 176.300 0.088 0.000 1.368 327 D CA -0.440 53.607 54.000 0.079 0.000 1.001 327 D CB 0.803 41.644 40.800 0.069 0.000 1.364 327 D HN 0.289 nan 8.370 nan 0.000 0.577 328 D N 2.942 123.398 120.400 0.094 0.000 2.615 328 D HA 0.029 4.669 4.640 -0.001 0.000 0.236 328 D C -0.243 176.105 176.300 0.080 0.000 1.233 328 D CA -0.356 53.683 54.000 0.065 0.000 0.829 328 D CB 0.112 40.921 40.800 0.015 0.000 1.024 328 D HN 0.468 nan 8.370 nan 0.000 0.490 329 W N 2.247 123.542 121.300 -0.008 0.000 2.397 329 W HA 0.329 4.988 4.660 -0.001 0.000 0.327 329 W C -0.680 175.835 176.519 -0.007 0.000 1.421 329 W CA -0.156 57.186 57.345 -0.006 0.000 1.288 329 W CB 0.338 29.794 29.460 -0.006 0.000 1.312 329 W HN -0.057 nan 8.180 nan 0.000 0.559 330 A N 5.582 128.306 122.820 -0.160 0.000 2.488 330 A HA 0.544 4.863 4.320 -0.001 0.000 0.298 330 A C -1.604 175.892 177.584 -0.147 0.000 1.044 330 A CA -0.675 51.335 52.037 -0.045 0.000 0.693 330 A CB 1.464 20.439 19.000 -0.041 0.000 1.272 330 A HN 0.237 nan 8.150 nan 0.000 0.402 331 V N 3.611 123.516 119.914 -0.015 0.000 2.320 331 V HA 0.329 4.449 4.120 -0.001 0.000 0.265 331 V C -2.179 173.900 176.094 -0.025 0.000 1.048 331 V CA -1.167 61.121 62.300 -0.020 0.000 0.865 331 V CB 0.412 32.284 31.823 0.081 0.000 1.043 331 V HN 0.774 nan 8.190 nan 0.000 0.474 332 P HA 0.273 nan 4.420 nan 0.000 0.272 332 P C 0.625 177.910 177.300 -0.024 0.000 1.223 332 P CA -0.510 62.564 63.100 -0.042 0.000 0.784 332 P CB 1.058 32.722 31.700 -0.061 0.000 0.923 333 K N 2.103 122.494 120.400 -0.015 0.000 2.063 333 K HA -0.180 4.139 4.320 -0.001 0.000 0.208 333 K C 1.698 178.292 176.600 -0.011 0.000 1.048 333 K CA 1.709 57.991 56.287 -0.008 0.000 0.928 333 K CB -0.473 32.024 32.500 -0.005 0.000 0.713 333 K HN 0.502 nan 8.250 nan 0.000 0.442 334 K N -0.336 120.053 120.400 -0.018 0.000 2.218 334 K HA -0.103 4.216 4.320 -0.001 0.000 0.205 334 K C 1.971 178.558 176.600 -0.022 0.000 1.046 334 K CA 1.531 57.806 56.287 -0.020 0.000 0.933 334 K CB -0.371 32.114 32.500 -0.025 0.000 0.728 334 K HN 0.067 nan 8.250 nan 0.000 0.454 335 A N 2.702 125.507 122.820 -0.026 0.000 2.019 335 A HA -0.130 4.190 4.320 -0.001 0.000 0.219 335 A C 1.821 179.401 177.584 -0.006 0.000 1.164 335 A CA 1.011 53.034 52.037 -0.024 0.000 0.644 335 A CB -0.421 18.556 19.000 -0.039 0.000 0.805 335 A HN 0.482 nan 8.150 nan 0.000 0.449 336 R N -0.211 120.289 120.500 0.000 0.000 2.515 336 R HA 0.231 4.570 4.340 -0.001 0.000 0.294 336 R C 0.046 176.345 176.300 -0.001 0.000 1.021 336 R CA -0.240 55.864 56.100 0.008 0.000 1.081 336 R CB -0.428 29.884 30.300 0.019 0.000 1.263 336 R HN 0.290 nan 8.270 nan 0.000 0.557 337 K N 1.052 121.447 120.400 -0.009 0.000 2.383 337 K HA 0.153 4.472 4.320 -0.001 0.000 0.286 337 K C 0.556 177.143 176.600 -0.022 0.000 1.051 337 K CA 1.064 57.343 56.287 -0.013 0.000 0.974 337 K CB 0.395 32.886 32.500 -0.015 0.000 0.968 337 K HN 0.403 nan 8.250 nan 0.000 0.475 338 G N 2.969 111.754 108.800 -0.025 0.000 2.258 338 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.233 338 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.233 338 G C -0.278 174.586 174.900 -0.060 0.000 1.006 338 G CA -0.126 44.947 45.100 -0.044 0.000 0.620 338 G HN 0.451 nan 8.290 nan 0.000 0.511 339 L N 2.020 123.221 121.223 -0.037 0.000 2.439 339 L HA 0.674 5.013 4.340 -0.001 0.000 0.261 339 L C 1.468 178.335 176.870 -0.005 0.000 1.153 339 L CA 0.218 55.038 54.840 -0.032 0.000 0.808 339 L CB 1.253 43.308 42.059 -0.007 0.000 1.126 339 L HN 0.604 nan 8.230 nan 0.000 0.460 340 S N 0.053 115.764 115.700 0.019 0.000 2.686 340 S HA 0.261 4.731 4.470 -0.001 0.000 0.270 340 S C 0.968 175.601 174.600 0.055 0.000 1.194 340 S CA -0.228 58.012 58.200 0.068 0.000 0.990 340 S CB 0.860 64.150 63.200 0.150 0.000 1.029 340 S HN 0.572 nan 8.310 nan 0.000 0.560 341 E N 0.619 120.853 120.200 0.057 0.000 2.031 341 E HA -0.159 4.191 4.350 -0.001 0.000 0.193 341 E C 1.887 178.514 176.600 0.045 0.000 0.994 341 E CA 2.072 58.498 56.400 0.044 0.000 0.800 341 E CB -0.387 29.337 29.700 0.039 0.000 0.752 341 E HN 0.790 nan 8.360 nan 0.000 0.447 342 E N 0.050 120.281 120.200 0.052 0.000 2.058 342 E HA -0.256 4.093 4.350 -0.001 0.000 0.194 342 E C 2.328 178.956 176.600 0.047 0.000 0.997 342 E CA 1.372 57.800 56.400 0.047 0.000 0.801 342 E CB -0.211 29.520 29.700 0.052 0.000 0.746 342 E HN 0.396 nan 8.360 nan 0.000 0.450 343 Q N 0.365 120.199 119.800 0.055 0.000 2.096 343 Q HA -0.169 4.170 4.340 -0.001 0.000 0.204 343 Q C 2.284 178.308 176.000 0.040 0.000 0.982 343 Q CA 1.437 57.266 55.803 0.044 0.000 0.850 343 Q CB -0.244 28.514 28.738 0.033 0.000 0.901 343 Q HN 0.262 nan 8.270 nan 0.000 0.422 344 A N 1.194 124.038 122.820 0.040 0.000 1.969 344 A HA -0.190 4.130 4.320 -0.001 0.000 0.218 344 A C 2.265 179.883 177.584 0.057 0.000 1.169 344 A CA 1.586 53.651 52.037 0.046 0.000 0.635 344 A CB -0.655 18.368 19.000 0.040 0.000 0.810 344 A HN 0.473 nan 8.150 nan 0.000 0.445 345 S N -0.140 115.589 115.700 0.048 0.000 2.419 345 S HA -0.150 4.319 4.470 -0.001 0.000 0.235 345 S C 1.692 176.320 174.600 0.047 0.000 1.019 345 S CA 1.452 59.680 58.200 0.046 0.000 0.982 345 S CB -0.985 62.236 63.200 0.034 0.000 0.789 345 S HN 0.264 nan 8.310 nan 0.000 0.490 346 V N 1.521 121.462 119.914 0.044 0.000 2.332 346 V HA -0.136 3.983 4.120 -0.001 0.000 0.248 346 V C 2.531 178.663 176.094 0.062 0.000 1.055 346 V CA 1.603 63.923 62.300 0.034 0.000 1.038 346 V CB -0.902 30.939 31.823 0.030 0.000 0.651 346 V HN 0.384 nan 8.190 nan 0.000 0.450 347 L N 0.137 121.434 121.223 0.123 0.000 2.079 347 L HA -0.187 4.152 4.340 -0.001 0.000 0.210 347 L C 2.154 179.192 176.870 0.280 0.000 1.081 347 L CA 1.905 56.896 54.840 0.252 0.000 0.752 347 L CB -1.069 41.122 42.059 0.220 0.000 0.896 347 L HN 0.396 nan 8.230 nan 0.000 0.433 348 D N -1.607 118.887 120.400 0.157 0.000 2.162 348 D HA -0.166 4.473 4.640 -0.001 0.000 0.203 348 D C 2.134 178.463 176.300 0.048 0.000 0.967 348 D CA 0.610 54.687 54.000 0.128 0.000 0.840 348 D CB 0.074 40.929 40.800 0.091 0.000 0.972 348 D HN 0.273 nan 8.370 nan 0.000 0.482 349 Q N 0.379 120.193 119.800 0.023 0.000 2.119 349 Q HA -0.054 4.286 4.340 -0.001 0.000 0.201 349 Q C 1.867 177.829 176.000 -0.065 0.000 0.972 349 Q CA 0.566 56.381 55.803 0.020 0.000 0.847 349 Q CB -0.179 28.554 28.738 -0.008 0.000 0.903 349 Q HN 0.109 nan 8.270 nan 0.000 0.433 350 L N 0.043 121.107 121.223 -0.265 0.000 2.450 350 L HA 0.093 4.432 4.340 -0.001 0.000 0.224 350 L C 0.330 176.686 176.870 -0.857 0.000 1.149 350 L CA 0.921 55.396 54.840 -0.607 0.000 0.816 350 L CB -1.672 39.812 42.059 -0.960 0.000 0.932 350 L HN 0.148 nan 8.230 nan 0.000 0.449 351 A N -0.988 121.449 122.820 -0.637 0.000 2.302 351 A HA 0.507 4.826 4.320 -0.001 0.000 0.295 351 A C 1.330 178.758 177.584 -0.260 0.000 1.235 351 A CA 0.406 52.209 52.037 -0.390 0.000 0.876 351 A CB 0.159 19.151 19.000 -0.015 0.000 1.133 351 A HN 0.549 nan 8.150 nan 0.000 0.533 352 G N 1.803 110.444 108.800 -0.264 0.000 2.176 352 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.253 352 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.253 352 G C 0.023 174.566 174.900 -0.595 0.000 0.979 352 G CA 0.402 45.274 45.100 -0.379 0.000 0.641 352 G HN 1.065 nan 8.290 nan 0.000 0.530 353 H N -1.146 117.830 119.070 -0.156 0.000 2.759 353 H HA 0.435 4.991 4.556 -0.001 0.000 0.354 353 H C 1.000 176.233 175.328 -0.158 0.000 1.074 353 H CA -0.669 55.298 56.048 -0.135 0.000 1.226 353 H CB 1.393 31.076 29.762 -0.131 0.000 1.648 353 H HN 0.177 nan 8.280 nan 0.000 0.529 354 R N 1.232 121.744 120.500 0.020 0.000 2.173 354 R HA 0.224 4.563 4.340 -0.001 0.000 0.208 354 R C 0.284 176.561 176.300 -0.038 0.000 1.035 354 R CA 0.363 56.445 56.100 -0.030 0.000 1.004 354 R CB 0.862 31.154 30.300 -0.015 0.000 0.917 354 R HN 0.256 nan 8.270 nan 0.000 0.462 355 L N 1.732 122.939 121.223 -0.026 0.000 2.342 355 L HA 0.433 4.772 4.340 -0.001 0.000 0.276 355 L C -1.457 175.365 176.870 -0.080 0.000 0.997 355 L CA -0.679 54.131 54.840 -0.050 0.000 0.838 355 L CB 1.814 43.849 42.059 -0.040 0.000 1.224 355 L HN -0.188 nan 8.230 nan 0.000 0.416 356 V N 5.200 125.063 119.914 -0.085 0.000 2.588 356 V HA 0.475 4.594 4.120 -0.001 0.000 0.304 356 V C -0.254 175.796 176.094 -0.074 0.000 1.042 356 V CA -0.626 61.615 62.300 -0.099 0.000 0.877 356 V CB 2.370 34.130 31.823 -0.104 0.000 0.996 356 V HN 0.411 nan 8.190 nan 0.000 0.425 357 V N 5.465 125.336 119.914 -0.071 0.000 2.547 357 V HA 0.512 4.631 4.120 -0.001 0.000 0.299 357 V C -0.307 175.763 176.094 -0.041 0.000 1.040 357 V CA -0.611 61.659 62.300 -0.050 0.000 0.913 357 V CB 1.926 33.721 31.823 -0.046 0.000 0.992 357 V HN 0.678 nan 8.190 nan 0.000 0.449 358 L N 5.398 126.604 121.223 -0.028 0.000 2.388 358 L HA 0.587 4.926 4.340 -0.001 0.000 0.267 358 L C 0.129 176.993 176.870 -0.009 0.000 0.995 358 L CA -0.015 54.816 54.840 -0.016 0.000 0.864 358 L CB 1.525 43.577 42.059 -0.011 0.000 1.216 358 L HN 0.963 nan 8.230 nan 0.000 0.430 359 T N 0.390 114.940 114.554 -0.006 0.000 2.804 359 T HA 0.976 5.326 4.350 -0.001 0.000 0.272 359 T C 0.052 174.759 174.700 0.010 0.000 0.986 359 T CA -0.483 61.617 62.100 0.000 0.000 0.999 359 T CB 2.286 71.152 68.868 -0.004 0.000 1.307 359 T HN 0.835 nan 8.240 nan 0.000 0.586 360 G N -1.449 107.360 108.800 0.015 0.000 2.312 360 G HA2 0.474 4.434 3.960 -0.001 0.000 0.347 360 G HA3 0.474 4.434 3.960 -0.001 0.000 0.347 360 G C -0.113 174.806 174.900 0.030 0.000 1.564 360 G CA -0.357 44.758 45.100 0.024 0.000 0.981 360 G HN 1.030 nan 8.290 nan 0.000 0.678 361 G N 0.693 109.515 108.800 0.037 0.000 2.712 361 G HA2 0.590 4.549 3.960 -0.001 0.000 0.258 361 G HA3 0.590 4.549 3.960 -0.001 0.000 0.258 361 G C -1.711 173.198 174.900 0.016 0.000 1.241 361 G CA -0.285 44.847 45.100 0.055 0.000 0.923 361 G HN 0.644 nan 8.290 nan 0.000 0.548 362 P HA 0.140 nan 4.420 nan 0.000 0.269 362 P C 0.733 178.003 177.300 -0.050 0.000 1.209 362 P CA 1.203 64.256 63.100 -0.078 0.000 0.776 362 P CB 0.890 32.465 31.700 -0.208 0.000 0.876 363 G N 2.214 111.002 108.800 -0.020 0.000 2.153 363 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.252 363 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.252 363 G C 0.615 175.568 174.900 0.088 0.000 0.994 363 G CA 0.646 45.759 45.100 0.022 0.000 0.698 363 G HN 0.743 nan 8.290 nan 0.000 0.521 364 T N -2.417 112.190 114.554 0.087 0.000 3.122 364 T HA 0.461 4.811 4.350 -0.001 0.000 0.250 364 T C 1.984 176.829 174.700 0.242 0.000 1.067 364 T CA 1.109 63.299 62.100 0.149 0.000 0.966 364 T CB 0.508 69.421 68.868 0.075 0.000 1.002 364 T HN 2.130 nan 8.240 nan 0.000 0.542 365 G N 1.942 110.835 108.800 0.155 0.000 2.182 365 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.248 365 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.248 365 G C 0.666 175.584 174.900 0.030 0.000 1.042 365 G CA 0.410 45.550 45.100 0.066 0.000 0.775 365 G HN 0.553 nan 8.290 nan 0.000 0.501 366 K N 0.138 120.555 120.400 0.029 0.000 1.984 366 K HA -0.010 4.309 4.320 -0.001 0.000 0.209 366 K C 2.664 179.261 176.600 -0.004 0.000 1.046 366 K CA 1.572 57.867 56.287 0.014 0.000 0.934 366 K CB -0.305 32.201 32.500 0.010 0.000 0.717 366 K HN 0.300 nan 8.250 nan 0.000 0.438 367 S N 0.734 116.426 115.700 -0.014 0.000 2.400 367 S HA -0.135 4.334 4.470 -0.001 0.000 0.232 367 S C 2.016 176.598 174.600 -0.029 0.000 1.025 367 S CA 1.648 59.833 58.200 -0.025 0.000 0.993 367 S CB -0.366 62.813 63.200 -0.035 0.000 0.808 367 S HN 0.333 nan 8.310 nan 0.000 0.478 368 T N 1.922 116.455 114.554 -0.035 0.000 2.821 368 T HA -0.072 4.277 4.350 -0.001 0.000 0.267 368 T C 1.998 176.675 174.700 -0.038 0.000 1.046 368 T CA 1.561 63.633 62.100 -0.047 0.000 1.139 368 T CB -0.587 68.237 68.868 -0.074 0.000 0.871 368 T HN 0.445 nan 8.240 nan 0.000 0.454 369 T N 1.440 115.978 114.554 -0.026 0.000 2.849 369 T HA -0.111 4.238 4.350 -0.001 0.000 0.270 369 T C 2.163 176.864 174.700 0.002 0.000 1.066 369 T CA 1.303 63.397 62.100 -0.010 0.000 1.130 369 T CB -0.552 68.319 68.868 0.005 0.000 0.864 369 T HN 0.343 nan 8.240 nan 0.000 0.481 370 T N 1.177 115.728 114.554 -0.004 0.000 2.833 370 T HA -0.084 4.265 4.350 -0.001 0.000 0.269 370 T C 1.952 176.652 174.700 0.001 0.000 1.054 370 T CA 1.157 63.257 62.100 0.000 0.000 1.135 370 T CB -0.156 68.704 68.868 -0.013 0.000 0.869 370 T HN 0.455 nan 8.240 nan 0.000 0.466 371 K N 0.634 121.028 120.400 -0.010 0.000 2.057 371 K HA -0.028 4.292 4.320 -0.001 0.000 0.207 371 K C 2.441 179.039 176.600 -0.003 0.000 1.049 371 K CA 1.236 57.516 56.287 -0.012 0.000 0.931 371 K CB -0.283 32.203 32.500 -0.023 0.000 0.714 371 K HN 0.273 nan 8.250 nan 0.000 0.440 372 A N 0.782 123.602 122.820 0.000 0.000 1.877 372 A HA -0.109 4.210 4.320 -0.001 0.000 0.216 372 A C 2.251 179.855 177.584 0.034 0.000 1.186 372 A CA 1.673 53.715 52.037 0.008 0.000 0.620 372 A CB -0.760 18.245 19.000 0.009 0.000 0.822 372 A HN 0.171 nan 8.150 nan 0.000 0.443 373 V N -0.056 119.897 119.914 0.065 0.000 2.324 373 V HA -0.301 3.818 4.120 -0.001 0.000 0.250 373 V C 3.027 179.193 176.094 0.120 0.000 1.060 373 V CA 2.144 64.525 62.300 0.134 0.000 1.042 373 V CB -1.245 30.655 31.823 0.128 0.000 0.650 373 V HN 0.633 nan 8.190 nan 0.000 0.450 374 A N -0.412 122.445 122.820 0.061 0.000 1.929 374 A HA -0.199 4.120 4.320 -0.001 0.000 0.216 374 A C 2.006 179.597 177.584 0.010 0.000 1.176 374 A CA 1.721 53.782 52.037 0.040 0.000 0.628 374 A CB -0.536 18.471 19.000 0.012 0.000 0.816 374 A HN 0.536 nan 8.150 nan 0.000 0.444 375 D N 0.009 120.406 120.400 -0.005 0.000 2.097 375 D HA -0.148 4.491 4.640 -0.001 0.000 0.195 375 D C 1.952 178.213 176.300 -0.065 0.000 0.989 375 D CA 1.001 54.983 54.000 -0.029 0.000 0.827 375 D CB -0.439 40.344 40.800 -0.028 0.000 0.966 375 D HN 0.406 nan 8.370 nan 0.000 0.456 376 L N 0.700 121.875 121.223 -0.081 0.000 1.989 376 L HA -0.234 4.105 4.340 -0.001 0.000 0.211 376 L C 2.377 179.068 176.870 -0.298 0.000 1.071 376 L CA 1.618 56.338 54.840 -0.201 0.000 0.749 376 L CB -0.333 41.597 42.059 -0.215 0.000 0.890 376 L HN -0.021 nan 8.230 nan 0.000 0.431 377 A N -0.326 122.372 122.820 -0.203 0.000 1.892 377 A HA -0.297 4.023 4.320 -0.001 0.000 0.218 377 A C 2.015 179.544 177.584 -0.092 0.000 1.188 377 A CA 2.164 54.120 52.037 -0.136 0.000 0.631 377 A CB -0.663 18.410 19.000 0.120 0.000 0.822 377 A HN 0.616 nan 8.150 nan 0.000 0.447 378 E N -0.025 120.141 120.200 -0.056 0.000 2.077 378 E HA -0.156 4.194 4.350 -0.001 0.000 0.193 378 E C 2.357 178.917 176.600 -0.066 0.000 0.989 378 E CA 1.412 57.789 56.400 -0.039 0.000 0.800 378 E CB -0.237 29.450 29.700 -0.023 0.000 0.746 378 E HN 0.821 nan 8.360 nan 0.000 0.452 379 S N 0.902 116.542 115.700 -0.100 0.000 2.419 379 S HA -0.094 4.375 4.470 -0.001 0.000 0.233 379 S C 1.833 176.359 174.600 -0.122 0.000 1.016 379 S CA 0.709 58.846 58.200 -0.105 0.000 0.974 379 S CB -0.299 62.830 63.200 -0.120 0.000 0.786 379 S HN 0.183 nan 8.310 nan 0.000 0.492 380 L N 1.092 122.216 121.223 -0.166 0.000 2.612 380 L HA 0.339 4.678 4.340 -0.001 0.000 0.230 380 L C 1.732 178.556 176.870 -0.077 0.000 1.140 380 L CA 0.243 54.989 54.840 -0.156 0.000 0.896 380 L CB -0.731 41.173 42.059 -0.258 0.000 1.065 380 L HN 0.575 nan 8.230 nan 0.000 0.447 381 G N 0.676 109.442 108.800 -0.056 0.000 2.153 381 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.252 381 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.252 381 G C 0.127 175.029 174.900 0.003 0.000 0.994 381 G CA -0.081 45.006 45.100 -0.022 0.000 0.698 381 G HN 0.267 nan 8.290 nan 0.000 0.521 382 L N 0.424 121.654 121.223 0.011 0.000 2.334 382 L HA 0.479 4.818 4.340 -0.001 0.000 0.277 382 L C 0.419 177.330 176.870 0.069 0.000 1.075 382 L CA -1.012 53.861 54.840 0.055 0.000 0.804 382 L CB 0.899 43.019 42.059 0.102 0.000 1.174 382 L HN -0.004 nan 8.230 nan 0.000 0.438 383 E N 2.496 122.749 120.200 0.089 0.000 2.290 383 E HA 0.242 4.591 4.350 -0.001 0.000 0.277 383 E C -0.769 175.942 176.600 0.184 0.000 1.035 383 E CA -0.187 56.291 56.400 0.129 0.000 0.873 383 E CB 1.884 31.656 29.700 0.119 0.000 1.029 383 E HN 0.182 nan 8.360 nan 0.000 0.419 384 V N 2.213 122.217 119.914 0.149 0.000 2.417 384 V HA 0.530 4.649 4.120 -0.001 0.000 0.291 384 V C 0.490 176.510 176.094 -0.124 0.000 1.024 384 V CA -0.768 61.565 62.300 0.055 0.000 0.861 384 V CB 1.966 33.803 31.823 0.024 0.000 0.985 384 V HN 0.698 nan 8.190 nan 0.000 0.436 385 G N 4.730 113.258 108.800 -0.453 0.000 2.417 385 G HA2 0.689 4.648 3.960 -0.001 0.000 0.320 385 G HA3 0.689 4.648 3.960 -0.001 0.000 0.320 385 G C -1.316 173.289 174.900 -0.490 0.000 1.204 385 G CA -0.440 44.047 45.100 -1.021 0.000 0.923 385 G HN 0.503 nan 8.290 nan 0.000 0.466 386 L N 2.103 123.117 121.223 -0.348 0.000 2.333 386 L HA 0.692 5.031 4.340 -0.001 0.000 0.280 386 L C 0.298 177.069 176.870 -0.166 0.000 1.004 386 L CA -0.593 54.128 54.840 -0.199 0.000 0.820 386 L CB 1.660 43.643 42.059 -0.126 0.000 1.247 386 L HN 0.816 nan 8.230 nan 0.000 0.416 387 C N 0.944 120.167 119.300 -0.128 0.000 3.318 387 C HA 1.048 5.508 4.460 -0.001 0.000 0.322 387 C C -0.571 174.384 174.990 -0.059 0.000 1.398 387 C CA -0.679 58.285 59.018 -0.091 0.000 1.339 387 C CB 1.278 28.960 27.740 -0.098 0.000 1.668 387 C HN 1.153 nan 8.230 nan 0.000 0.462 388 A N 0.834 123.635 122.820 -0.032 0.000 2.609 388 A HA 0.920 5.239 4.320 -0.001 0.000 0.291 388 A C -2.695 174.900 177.584 0.019 0.000 1.096 388 A CA -1.124 50.906 52.037 -0.012 0.000 0.684 388 A CB 0.727 19.721 19.000 -0.009 0.000 1.282 388 A HN 0.504 nan 8.150 nan 0.000 0.412 389 P HA -0.048 nan 4.420 nan 0.000 0.215 389 P C 0.846 178.204 177.300 0.097 0.000 1.157 389 P CA 2.122 65.269 63.100 0.078 0.000 0.863 389 P CB -0.006 31.737 31.700 0.072 0.000 0.787 390 T N -4.583 110.013 114.554 0.071 0.000 2.943 390 T HA 0.517 4.867 4.350 -0.001 0.000 0.284 390 T C 1.556 176.287 174.700 0.052 0.000 1.015 390 T CA -0.285 61.855 62.100 0.068 0.000 1.042 390 T CB 1.363 70.275 68.868 0.075 0.000 1.055 390 T HN 0.022 nan 8.240 nan 0.000 0.500 391 G N 0.909 109.737 108.800 0.048 0.000 2.459 391 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.217 391 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.217 391 G C 1.437 176.361 174.900 0.040 0.000 1.183 391 G CA 0.422 45.546 45.100 0.041 0.000 0.776 391 G HN 0.755 nan 8.290 nan 0.000 0.552 392 K N 0.565 120.995 120.400 0.050 0.000 2.097 392 K HA 0.016 4.335 4.320 -0.001 0.000 0.206 392 K C 2.950 179.567 176.600 0.028 0.000 1.049 392 K CA 0.965 57.283 56.287 0.052 0.000 0.933 392 K CB -0.229 32.321 32.500 0.083 0.000 0.717 392 K HN 0.285 nan 8.250 nan 0.000 0.442 393 A N 1.559 124.395 122.820 0.027 0.000 1.873 393 A HA -0.099 4.220 4.320 -0.001 0.000 0.215 393 A C 2.393 179.973 177.584 -0.006 0.000 1.186 393 A CA 1.816 53.856 52.037 0.005 0.000 0.616 393 A CB -0.595 18.413 19.000 0.013 0.000 0.823 393 A HN 0.318 nan 8.150 nan 0.000 0.442 394 A N -0.332 122.489 122.820 0.002 0.000 1.940 394 A HA -0.190 4.130 4.320 -0.001 0.000 0.219 394 A C 2.180 179.756 177.584 -0.013 0.000 1.176 394 A CA 2.205 54.235 52.037 -0.012 0.000 0.631 394 A CB -0.445 18.549 19.000 -0.009 0.000 0.814 394 A HN 0.455 nan 8.150 nan 0.000 0.446 395 R N -0.424 120.077 120.500 0.001 0.000 2.073 395 R HA -0.070 4.269 4.340 -0.001 0.000 0.234 395 R C 2.166 178.459 176.300 -0.011 0.000 1.134 395 R CA 1.846 57.950 56.100 0.006 0.000 0.952 395 R CB -0.414 29.900 30.300 0.023 0.000 0.850 395 R HN 0.418 nan 8.270 nan 0.000 0.433 396 R N -0.030 120.454 120.500 -0.027 0.000 2.090 396 R HA 0.025 4.364 4.340 -0.001 0.000 0.228 396 R C 2.036 178.308 176.300 -0.047 0.000 1.110 396 R CA 0.849 56.918 56.100 -0.052 0.000 0.973 396 R CB -0.670 29.579 30.300 -0.085 0.000 0.869 396 R HN 0.203 nan 8.270 nan 0.000 0.440 397 L N 0.050 121.249 121.223 -0.040 0.000 2.042 397 L HA -0.097 4.242 4.340 -0.001 0.000 0.210 397 L C 1.777 178.625 176.870 -0.037 0.000 1.076 397 L CA 2.401 57.217 54.840 -0.040 0.000 0.749 397 L CB -1.372 40.663 42.059 -0.041 0.000 0.893 397 L HN 0.366 nan 8.230 nan 0.000 0.432 398 G N -0.597 108.185 108.800 -0.030 0.000 2.418 398 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.217 398 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.217 398 G C 1.388 176.276 174.900 -0.020 0.000 1.158 398 G CA 0.706 45.792 45.100 -0.023 0.000 0.771 398 G HN 0.518 nan 8.290 nan 0.000 0.545 399 E N 0.007 120.194 120.200 -0.022 0.000 2.017 399 E HA -0.139 4.211 4.350 -0.001 0.000 0.193 399 E C 2.813 179.395 176.600 -0.030 0.000 0.997 399 E CA 1.701 58.087 56.400 -0.024 0.000 0.804 399 E CB -0.339 29.341 29.700 -0.033 0.000 0.757 399 E HN 0.414 nan 8.360 nan 0.000 0.448 400 V N -1.092 118.797 119.914 -0.041 0.000 2.913 400 V HA -0.136 3.984 4.120 -0.001 0.000 0.260 400 V C 1.963 178.036 176.094 -0.035 0.000 1.098 400 V CA 2.117 64.392 62.300 -0.042 0.000 1.121 400 V CB -0.290 31.502 31.823 -0.050 0.000 0.714 400 V HN 0.170 nan 8.190 nan 0.000 0.487 401 T N -0.559 113.977 114.554 -0.030 0.000 3.037 401 T HA 0.352 4.702 4.350 -0.001 0.000 0.252 401 T C 1.471 176.159 174.700 -0.020 0.000 1.073 401 T CA 1.158 63.243 62.100 -0.025 0.000 1.091 401 T CB -0.360 68.492 68.868 -0.028 0.000 0.935 401 T HN 1.361 nan 8.240 nan 0.000 0.488 402 G N 1.863 110.652 108.800 -0.017 0.000 2.153 402 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.252 402 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.252 402 G C 0.129 175.025 174.900 -0.006 0.000 0.994 402 G CA 0.341 45.435 45.100 -0.010 0.000 0.698 402 G HN 0.572 nan 8.290 nan 0.000 0.521 403 R N -1.056 119.438 120.500 -0.010 0.000 2.888 403 R HA 0.622 4.962 4.340 -0.001 0.000 0.264 403 R C -0.430 175.864 176.300 -0.010 0.000 1.045 403 R CA -0.669 55.426 56.100 -0.008 0.000 0.962 403 R CB 0.837 31.128 30.300 -0.015 0.000 1.210 403 R HN 0.091 nan 8.270 nan 0.000 0.479 404 T N 1.193 115.743 114.554 -0.007 0.000 2.851 404 T HA 0.434 4.783 4.350 -0.001 0.000 0.298 404 T C -0.462 174.212 174.700 -0.043 0.000 0.977 404 T CA 0.023 62.116 62.100 -0.011 0.000 1.126 404 T CB 0.908 69.779 68.868 0.004 0.000 0.916 404 T HN 0.596 nan 8.240 nan 0.000 0.529 405 A N 2.902 125.691 122.820 -0.052 0.000 2.515 405 A HA 0.891 5.210 4.320 -0.001 0.000 0.296 405 A C -0.155 177.376 177.584 -0.089 0.000 1.094 405 A CA -0.776 51.215 52.037 -0.077 0.000 0.718 405 A CB 1.690 20.652 19.000 -0.062 0.000 1.307 405 A HN 0.898 nan 8.150 nan 0.000 0.408 406 S N -0.599 115.042 115.700 -0.098 0.000 2.794 406 S HA 0.824 5.294 4.470 -0.001 0.000 0.299 406 S C 0.046 174.617 174.600 -0.048 0.000 1.179 406 S CA 0.059 58.197 58.200 -0.102 0.000 0.838 406 S CB 0.735 63.838 63.200 -0.162 0.000 1.206 406 S HN 1.849 nan 8.310 nan 0.000 0.523 407 T N -0.949 113.598 114.554 -0.011 0.000 2.860 407 T HA 0.365 4.714 4.350 -0.001 0.000 0.299 407 T C 1.373 176.103 174.700 0.050 0.000 1.045 407 T CA -0.332 61.798 62.100 0.050 0.000 1.071 407 T CB 0.379 69.315 68.868 0.113 0.000 0.985 407 T HN 0.605 nan 8.240 nan 0.000 0.537 408 V N 1.477 121.414 119.914 0.038 0.000 2.594 408 V HA -0.168 3.951 4.120 -0.001 0.000 0.253 408 V C 2.630 178.678 176.094 -0.076 0.000 1.069 408 V CA 1.633 63.895 62.300 -0.064 0.000 1.082 408 V CB -1.232 30.509 31.823 -0.137 0.000 0.680 408 V HN 0.904 nan 8.190 nan 0.000 0.469 409 H N 0.016 119.132 119.070 0.078 0.000 2.357 409 H HA -0.015 4.541 4.556 -0.001 0.000 0.301 409 H C 2.550 178.043 175.328 0.276 0.000 1.082 409 H CA 1.394 57.598 56.048 0.260 0.000 1.342 409 H CB 0.120 30.032 29.762 0.250 0.000 1.389 409 H HN 0.345 nan 8.280 nan 0.000 0.511 410 R N 0.440 121.107 120.500 0.279 0.000 2.153 410 R HA -0.044 4.295 4.340 -0.001 0.000 0.218 410 R C 2.434 178.842 176.300 0.179 0.000 1.072 410 R CA 0.284 56.516 56.100 0.220 0.000 0.990 410 R CB -0.157 30.191 30.300 0.080 0.000 0.889 410 R HN 0.199 nan 8.270 nan 0.000 0.452 411 L N 0.898 122.192 121.223 0.118 0.000 2.093 411 L HA -0.108 4.231 4.340 -0.001 0.000 0.208 411 L C 1.846 178.858 176.870 0.237 0.000 1.085 411 L CA 1.327 56.243 54.840 0.126 0.000 0.755 411 L CB -0.019 42.048 42.059 0.013 0.000 0.904 411 L HN 0.141 nan 8.230 nan 0.000 0.435 412 L N -0.010 121.315 121.223 0.171 0.000 2.478 412 L HA 0.153 4.492 4.340 -0.001 0.000 0.223 412 L C 0.891 177.966 176.870 0.342 0.000 1.140 412 L CA 0.425 55.400 54.840 0.225 0.000 0.842 412 L CB -0.965 40.968 42.059 -0.210 0.000 0.953 412 L HN 0.507 nan 8.230 nan 0.000 0.452 413 G N 0.408 109.404 108.800 0.327 0.000 2.636 413 G HA2 -0.332 3.627 3.960 -0.001 0.000 0.261 413 G HA3 -0.332 3.627 3.960 -0.001 0.000 0.261 413 G C -0.428 174.654 174.900 0.304 0.000 1.018 413 G CA -0.446 44.793 45.100 0.232 0.000 1.308 413 G HN 0.286 nan 8.290 nan 0.000 0.514 414 Y N 1.713 122.185 120.300 0.287 0.000 2.465 414 Y HA 0.484 5.033 4.550 -0.001 0.000 0.331 414 Y C 0.969 176.903 175.900 0.056 0.000 1.102 414 Y CA 1.183 59.416 58.100 0.221 0.000 1.358 414 Y CB 0.794 39.420 38.460 0.276 0.000 1.213 414 Y HN 0.690 nan 8.280 nan 0.000 0.525 415 G N 5.565 114.069 108.800 -0.494 0.000 2.949 415 G HA2 0.340 4.299 3.960 -0.001 0.000 0.285 415 G HA3 0.340 4.299 3.960 -0.001 0.000 0.285 415 G C -2.396 172.213 174.900 -0.486 0.000 1.395 415 G CA -1.211 43.692 45.100 -0.328 0.000 0.901 415 G HN 0.379 nan 8.290 nan 0.000 0.519 416 P HA -0.044 nan 4.420 nan 0.000 0.221 416 P C 0.729 177.900 177.300 -0.216 0.000 1.150 416 P CA 0.963 63.946 63.100 -0.195 0.000 0.800 416 P CB 0.404 32.044 31.700 -0.099 0.000 0.787 417 Q N -0.126 119.548 119.800 -0.209 0.000 2.403 417 Q HA 0.322 4.661 4.340 -0.001 0.000 0.203 417 Q C 1.341 177.208 176.000 -0.221 0.000 0.932 417 Q CA 0.625 56.325 55.803 -0.170 0.000 0.945 417 Q CB 0.069 28.735 28.738 -0.120 0.000 1.045 417 Q HN 0.313 nan 8.270 nan 0.000 0.511 418 G N 0.660 109.234 108.800 -0.377 0.000 2.396 418 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.254 418 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.254 418 G C -1.121 173.505 174.900 -0.458 0.000 1.248 418 G CA -1.080 43.726 45.100 -0.491 0.000 1.033 418 G HN 0.119 nan 8.290 nan 0.000 0.502 419 F N 1.839 121.712 119.950 -0.129 0.000 2.543 419 F HA 0.353 4.879 4.527 -0.001 0.000 0.375 419 F C 2.116 177.862 175.800 -0.089 0.000 1.075 419 F CA 0.412 58.374 58.000 -0.063 0.000 1.225 419 F CB 1.139 40.153 39.000 0.024 0.000 1.099 419 F HN 0.667 nan 8.300 nan 0.000 0.561 420 R N 2.363 122.898 120.500 0.059 0.000 2.080 420 R HA -0.135 4.204 4.340 -0.001 0.000 0.236 420 R C 0.401 176.605 176.300 -0.160 0.000 1.137 420 R CA 1.159 57.175 56.100 -0.140 0.000 0.943 420 R CB -0.190 29.922 30.300 -0.312 0.000 0.846 420 R HN 0.526 nan 8.270 nan 0.000 0.431 421 H N 0.821 119.948 119.070 0.094 0.000 2.683 421 H HA 0.152 4.708 4.556 -0.001 0.000 0.339 421 H C -0.125 175.240 175.328 0.062 0.000 1.081 421 H CA 0.329 56.407 56.048 0.050 0.000 1.432 421 H CB 1.191 30.974 29.762 0.036 0.000 1.462 421 H HN 0.502 nan 8.280 nan 0.000 0.557 422 N N -0.452 118.345 118.700 0.162 0.000 3.547 422 N HA -0.066 4.673 4.740 -0.001 0.000 0.347 422 N C 0.569 176.146 175.510 0.112 0.000 1.533 422 N CA -0.518 52.614 53.050 0.135 0.000 0.848 422 N CB 0.193 38.756 38.487 0.128 0.000 2.112 422 N HN 0.572 nan 8.380 nan 0.000 0.527 423 H N -1.037 118.064 119.070 0.052 0.000 2.462 423 H HA 0.288 4.843 4.556 -0.001 0.000 0.292 423 H C 1.087 176.436 175.328 0.035 0.000 1.049 423 H CA 1.194 57.265 56.048 0.037 0.000 1.334 423 H CB -0.085 29.694 29.762 0.028 0.000 1.404 423 H HN 0.325 nan 8.280 nan 0.000 0.544 424 L N -0.268 120.625 121.223 -0.551 0.000 2.240 424 L HA 0.073 4.413 4.340 -0.001 0.000 0.211 424 L C 0.908 177.699 176.870 -0.132 0.000 1.106 424 L CA 0.916 55.531 54.840 -0.375 0.000 0.793 424 L CB 0.178 41.995 42.059 -0.405 0.000 0.927 424 L HN 0.439 nan 8.230 nan 0.000 0.446 425 E N 0.306 120.471 120.200 -0.059 0.000 3.352 425 E HA 0.236 4.586 4.350 -0.001 0.000 0.254 425 E C -2.466 174.220 176.600 0.143 0.000 1.229 425 E CA -2.030 54.391 56.400 0.035 0.000 0.949 425 E CB 1.130 30.846 29.700 0.027 0.000 1.373 425 E HN -0.064 nan 8.360 nan 0.000 0.392 426 P HA -0.072 nan 4.420 nan 0.000 0.267 426 P C -0.705 176.539 177.300 -0.093 0.000 1.195 426 P CA 0.196 63.315 63.100 0.031 0.000 0.773 426 P CB 0.614 32.314 31.700 0.001 0.000 0.837 427 A N 4.585 127.260 122.820 -0.243 0.000 2.488 427 A HA 0.257 4.577 4.320 -0.001 0.000 0.249 427 A C -1.731 175.543 177.584 -0.516 0.000 1.083 427 A CA -1.107 50.530 52.037 -0.667 0.000 0.768 427 A CB -0.859 18.003 19.000 -0.229 0.000 1.017 427 A HN 0.424 nan 8.150 nan 0.000 0.496 428 P HA 0.139 nan 4.420 nan 0.000 0.238 428 P C -1.399 175.368 177.300 -0.888 0.000 1.729 428 P CA 0.756 63.452 63.100 -0.674 0.000 1.055 428 P CB -0.727 30.647 31.700 -0.545 0.000 1.980 429 Y N -0.568 119.683 120.300 -0.081 0.000 2.513 429 Y HA 0.236 4.785 4.550 -0.001 0.000 0.340 429 Y C 1.081 176.968 175.900 -0.022 0.000 1.055 429 Y CA -0.906 57.166 58.100 -0.047 0.000 1.020 429 Y CB 1.329 39.755 38.460 -0.056 0.000 1.301 429 Y HN -0.092 nan 8.280 nan 0.000 0.453 430 D N 1.104 121.602 120.400 0.163 0.000 2.271 430 D HA 0.046 4.686 4.640 -0.001 0.000 0.206 430 D C -0.305 176.066 176.300 0.118 0.000 0.967 430 D CA 0.990 55.058 54.000 0.114 0.000 0.867 430 D CB 0.895 41.762 40.800 0.111 0.000 0.960 430 D HN 0.241 nan 8.370 nan 0.000 0.509 431 L N 1.436 122.738 121.223 0.131 0.000 2.409 431 L HA 0.367 4.706 4.340 -0.001 0.000 0.272 431 L C -1.651 175.236 176.870 0.028 0.000 0.980 431 L CA -0.638 54.255 54.840 0.087 0.000 0.826 431 L CB 2.271 44.411 42.059 0.135 0.000 1.268 431 L HN -0.264 nan 8.230 nan 0.000 0.407 432 L N 6.684 127.900 121.223 -0.011 0.000 2.298 432 L HA 0.543 4.882 4.340 -0.001 0.000 0.284 432 L C -0.774 176.050 176.870 -0.077 0.000 1.013 432 L CA -0.234 54.560 54.840 -0.077 0.000 0.824 432 L CB 1.412 43.441 42.059 -0.051 0.000 1.221 432 L HN 0.627 nan 8.230 nan 0.000 0.418 433 I N 5.431 125.939 120.570 -0.104 0.000 2.339 433 I HA 0.417 4.586 4.170 -0.001 0.000 0.290 433 I C -0.474 175.592 176.117 -0.085 0.000 0.994 433 I CA -0.728 60.527 61.300 -0.075 0.000 1.191 433 I CB 1.953 39.916 38.000 -0.060 0.000 1.343 433 I HN 0.185 nan 8.210 nan 0.000 0.458 434 V N 4.760 124.635 119.914 -0.065 0.000 2.487 434 V HA 0.418 4.537 4.120 -0.001 0.000 0.298 434 V C -0.516 175.552 176.094 -0.043 0.000 1.028 434 V CA -0.605 61.660 62.300 -0.060 0.000 0.860 434 V CB 2.058 33.846 31.823 -0.058 0.000 0.991 434 V HN 0.609 nan 8.190 nan 0.000 0.427 435 D N 2.334 122.711 120.400 -0.038 0.000 2.340 435 D HA 0.482 5.121 4.640 -0.001 0.000 0.243 435 D C 0.367 176.656 176.300 -0.019 0.000 0.988 435 D CA -0.363 53.620 54.000 -0.028 0.000 0.959 435 D CB 1.872 42.654 40.800 -0.030 0.000 1.226 435 D HN 0.618 nan 8.370 nan 0.000 0.509 436 E N 0.304 120.496 120.200 -0.014 0.000 2.637 436 E HA -0.141 4.208 4.350 -0.001 0.000 0.265 436 E C 0.991 177.591 176.600 -0.001 0.000 1.073 436 E CA 0.422 56.819 56.400 -0.005 0.000 0.778 436 E CB -1.512 28.189 29.700 0.000 0.000 1.362 436 E HN 0.260 nan 8.360 nan 0.000 0.413 437 V N -0.370 119.540 119.914 -0.007 0.000 2.982 437 V HA -0.288 3.831 4.120 -0.001 0.000 0.265 437 V C 2.171 178.265 176.094 0.000 0.000 1.122 437 V CA 1.976 64.272 62.300 -0.007 0.000 1.143 437 V CB -0.632 31.182 31.823 -0.015 0.000 0.726 437 V HN 0.605 nan 8.190 nan 0.000 0.507 438 S N -0.717 114.984 115.700 0.002 0.000 2.515 438 S HA -0.023 4.446 4.470 -0.001 0.000 0.231 438 S C 1.594 176.203 174.600 0.014 0.000 0.987 438 S CA 0.851 59.053 58.200 0.004 0.000 0.936 438 S CB -0.371 62.830 63.200 0.001 0.000 0.766 438 S HN 0.594 nan 8.310 nan 0.000 0.528 439 M N 0.590 120.204 119.600 0.023 0.000 2.495 439 M HA 0.349 4.828 4.480 -0.001 0.000 0.237 439 M C 0.124 176.456 176.300 0.053 0.000 1.131 439 M CA 0.241 55.569 55.300 0.047 0.000 1.032 439 M CB -0.101 32.535 32.600 0.060 0.000 1.513 439 M HN 0.295 nan 8.290 nan 0.000 0.488 440 M N 0.462 120.083 119.600 0.035 0.000 2.157 440 M HA 0.356 4.835 4.480 -0.001 0.000 0.354 440 M C 0.551 176.871 176.300 0.033 0.000 1.170 440 M CA -0.414 54.906 55.300 0.033 0.000 1.060 440 M CB 1.324 33.931 32.600 0.010 0.000 1.615 440 M HN 0.111 nan 8.290 nan 0.000 0.460 441 G N 1.422 110.251 108.800 0.048 0.000 2.535 441 G HA2 0.201 4.160 3.960 -0.001 0.000 0.303 441 G HA3 0.201 4.160 3.960 -0.001 0.000 0.303 441 G C 0.073 175.001 174.900 0.047 0.000 1.237 441 G CA -0.510 44.618 45.100 0.047 0.000 0.986 441 G HN 0.687 nan 8.290 nan 0.000 0.494 442 D N 0.138 120.568 120.400 0.051 0.000 2.106 442 D HA -0.177 4.462 4.640 -0.001 0.000 0.191 442 D C 2.731 179.071 176.300 0.067 0.000 0.997 442 D CA 2.018 56.051 54.000 0.056 0.000 0.834 442 D CB -0.432 40.408 40.800 0.066 0.000 0.956 442 D HN 0.396 nan 8.370 nan 0.000 0.448 443 A N 0.695 123.570 122.820 0.092 0.000 1.873 443 A HA -0.191 4.128 4.320 -0.001 0.000 0.218 443 A C 2.344 179.996 177.584 0.114 0.000 1.193 443 A CA 1.266 53.378 52.037 0.125 0.000 0.629 443 A CB -0.973 18.126 19.000 0.164 0.000 0.826 443 A HN 0.283 nan 8.150 nan 0.000 0.447 444 L N -1.836 119.440 121.223 0.089 0.000 2.017 444 L HA -0.196 4.143 4.340 -0.001 0.000 0.208 444 L C 2.750 179.596 176.870 -0.040 0.000 1.073 444 L CA 2.162 57.009 54.840 0.013 0.000 0.745 444 L CB -0.347 41.708 42.059 -0.007 0.000 0.894 444 L HN 0.547 nan 8.230 nan 0.000 0.432 445 M N -0.220 119.375 119.600 -0.008 0.000 2.082 445 M HA -0.263 4.216 4.480 -0.001 0.000 0.258 445 M C 1.989 178.280 176.300 -0.015 0.000 1.069 445 M CA 1.851 57.140 55.300 -0.019 0.000 1.102 445 M CB -0.609 31.991 32.600 -0.000 0.000 1.336 445 M HN 0.202 nan 8.290 nan 0.000 0.404 446 L N -0.584 120.648 121.223 0.015 0.000 2.042 446 L HA -0.143 4.196 4.340 -0.001 0.000 0.210 446 L C 2.181 179.063 176.870 0.020 0.000 1.076 446 L CA 2.198 57.055 54.840 0.028 0.000 0.749 446 L CB -1.302 40.792 42.059 0.057 0.000 0.893 446 L HN 0.383 nan 8.230 nan 0.000 0.432 447 S N -0.411 115.295 115.700 0.011 0.000 2.368 447 S HA -0.165 4.304 4.470 -0.001 0.000 0.225 447 S C 1.938 176.459 174.600 -0.131 0.000 1.030 447 S CA 1.604 59.782 58.200 -0.036 0.000 0.999 447 S CB -0.511 62.621 63.200 -0.113 0.000 0.844 447 S HN 0.534 nan 8.310 nan 0.000 0.459 448 L N 1.261 122.386 121.223 -0.164 0.000 1.994 448 L HA -0.079 4.260 4.340 -0.001 0.000 0.208 448 L C 2.116 178.949 176.870 -0.062 0.000 1.071 448 L CA 1.316 56.071 54.840 -0.142 0.000 0.745 448 L CB -0.339 41.639 42.059 -0.135 0.000 0.892 448 L HN 0.324 nan 8.230 nan 0.000 0.431 449 L N -0.346 120.854 121.223 -0.038 0.000 2.042 449 L HA -0.218 4.121 4.340 -0.001 0.000 0.210 449 L C 2.784 179.659 176.870 0.007 0.000 1.076 449 L CA 1.260 56.092 54.840 -0.014 0.000 0.749 449 L CB -0.886 41.167 42.059 -0.009 0.000 0.893 449 L HN 0.329 nan 8.230 nan 0.000 0.432 450 A N -0.087 122.744 122.820 0.019 0.000 2.076 450 A HA -0.079 4.240 4.320 -0.001 0.000 0.220 450 A C 2.198 179.829 177.584 0.078 0.000 1.160 450 A CA 1.602 53.671 52.037 0.054 0.000 0.653 450 A CB -0.474 18.571 19.000 0.075 0.000 0.801 450 A HN 0.427 nan 8.150 nan 0.000 0.455 451 A N -0.765 122.085 122.820 0.049 0.000 2.345 451 A HA 0.476 4.795 4.320 -0.001 0.000 0.225 451 A C 0.485 178.088 177.584 0.032 0.000 1.243 451 A CA -0.068 52.004 52.037 0.059 0.000 0.875 451 A CB -0.147 18.888 19.000 0.059 0.000 0.929 451 A HN 0.189 nan 8.150 nan 0.000 0.502 452 V N 2.347 122.277 119.914 0.027 0.000 2.455 452 V HA 0.175 4.294 4.120 -0.001 0.000 0.273 452 V C -2.305 173.804 176.094 0.025 0.000 1.045 452 V CA -1.481 60.833 62.300 0.022 0.000 0.976 452 V CB 0.699 32.530 31.823 0.013 0.000 0.993 452 V HN 0.255 nan 8.190 nan 0.000 0.475 453 P HA 0.103 nan 4.420 nan 0.000 0.265 453 P C -2.392 174.920 177.300 0.020 0.000 1.193 453 P CA -0.821 62.288 63.100 0.015 0.000 0.765 453 P CB -0.179 31.523 31.700 0.002 0.000 0.823 454 P HA -0.057 nan 4.420 nan 0.000 0.265 454 P C 0.948 178.257 177.300 0.016 0.000 1.193 454 P CA 0.998 64.109 63.100 0.019 0.000 0.765 454 P CB 0.310 32.023 31.700 0.021 0.000 0.823 455 G N 1.454 110.261 108.800 0.013 0.000 2.234 455 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.260 455 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.260 455 G C 0.444 175.354 174.900 0.016 0.000 0.987 455 G CA 0.243 45.350 45.100 0.012 0.000 0.625 455 G HN 0.907 nan 8.290 nan 0.000 0.532 456 A N -0.007 122.825 122.820 0.019 0.000 2.332 456 A HA 0.769 5.088 4.320 -0.001 0.000 0.258 456 A C 0.685 178.274 177.584 0.009 0.000 1.087 456 A CA 0.205 52.258 52.037 0.027 0.000 0.802 456 A CB 0.404 19.426 19.000 0.037 0.000 1.042 456 A HN 0.519 nan 8.150 nan 0.000 0.489 457 R N -0.496 120.008 120.500 0.007 0.000 2.598 457 R HA 0.611 4.950 4.340 -0.001 0.000 0.279 457 R C -1.475 174.809 176.300 -0.026 0.000 0.984 457 R CA -0.445 55.635 56.100 -0.034 0.000 0.999 457 R CB 1.716 31.965 30.300 -0.085 0.000 1.114 457 R HN 0.452 nan 8.270 nan 0.000 0.493 458 V N 4.115 124.002 119.914 -0.045 0.000 2.569 458 V HA 0.293 4.412 4.120 -0.001 0.000 0.301 458 V C -0.828 175.233 176.094 -0.055 0.000 1.044 458 V CA -0.763 61.511 62.300 -0.042 0.000 0.874 458 V CB 1.908 33.710 31.823 -0.035 0.000 1.002 458 V HN 0.543 nan 8.190 nan 0.000 0.424 459 L N 6.496 127.688 121.223 -0.053 0.000 2.294 459 L HA 0.603 4.942 4.340 -0.001 0.000 0.283 459 L C -1.086 175.757 176.870 -0.045 0.000 1.015 459 L CA -0.385 54.424 54.840 -0.052 0.000 0.831 459 L CB 1.352 43.385 42.059 -0.043 0.000 1.217 459 L HN 0.579 nan 8.230 nan 0.000 0.420 460 L N 6.105 127.302 121.223 -0.043 0.000 2.282 460 L HA 0.522 4.862 4.340 -0.001 0.000 0.288 460 L C -0.171 176.680 176.870 -0.031 0.000 1.033 460 L CA -0.611 54.207 54.840 -0.037 0.000 0.807 460 L CB 1.830 43.868 42.059 -0.035 0.000 1.209 460 L HN 0.407 nan 8.230 nan 0.000 0.423 461 V N 2.151 122.049 119.914 -0.026 0.000 2.656 461 V HA 1.055 5.174 4.120 -0.001 0.000 0.307 461 V C -0.280 175.805 176.094 -0.016 0.000 1.051 461 V CA 0.215 62.503 62.300 -0.020 0.000 0.893 461 V CB 1.588 33.400 31.823 -0.018 0.000 0.999 461 V HN 0.883 nan 8.190 nan 0.000 0.426 462 G N 3.778 112.572 108.800 -0.010 0.000 2.328 462 G HA2 0.450 4.409 3.960 -0.001 0.000 0.295 462 G HA3 0.450 4.409 3.960 -0.001 0.000 0.295 462 G C -2.266 172.634 174.900 0.001 0.000 1.413 462 G CA -0.106 44.991 45.100 -0.006 0.000 0.817 462 G HN 1.112 nan 8.290 nan 0.000 0.546 463 D N -0.644 119.760 120.400 0.008 0.000 2.542 463 D HA 0.481 5.120 4.640 -0.001 0.000 0.252 463 D C 1.519 177.828 176.300 0.016 0.000 1.222 463 D CA 0.257 54.269 54.000 0.019 0.000 0.895 463 D CB 1.519 42.346 40.800 0.044 0.000 1.207 463 D HN 0.532 nan 8.370 nan 0.000 0.558 464 T N 0.217 114.769 114.554 -0.003 0.000 3.077 464 T HA -0.105 4.244 4.350 -0.001 0.000 0.269 464 T C 0.885 175.568 174.700 -0.029 0.000 1.146 464 T CA 0.637 62.727 62.100 -0.016 0.000 1.091 464 T CB 0.025 68.877 68.868 -0.028 0.000 0.892 464 T HN 0.231 nan 8.240 nan 0.000 0.533 465 D N 0.959 121.346 120.400 -0.022 0.000 2.347 465 D HA 0.119 4.758 4.640 -0.001 0.000 0.213 465 D C 1.429 177.754 176.300 0.041 0.000 0.985 465 D CA 0.387 54.338 54.000 -0.083 0.000 0.879 465 D CB 0.152 40.832 40.800 -0.199 0.000 0.919 465 D HN 0.629 nan 8.370 nan 0.000 0.526 466 Q N -0.280 119.579 119.800 0.099 0.000 2.500 466 Q HA 0.356 4.695 4.340 -0.001 0.000 0.173 466 Q C 0.216 176.224 176.000 0.014 0.000 1.079 466 Q CA -0.724 55.142 55.803 0.105 0.000 0.960 466 Q CB 0.707 29.483 28.738 0.063 0.000 2.832 466 Q HN 0.039 nan 8.270 nan 0.000 0.476 467 L N 3.474 124.673 121.223 -0.039 0.000 2.462 467 L HA 0.177 4.516 4.340 -0.001 0.000 0.272 467 L C -1.935 174.920 176.870 -0.025 0.000 1.166 467 L CA -1.548 53.240 54.840 -0.087 0.000 0.880 467 L CB 0.015 41.914 42.059 -0.266 0.000 1.142 467 L HN 0.325 nan 8.230 nan 0.000 0.473 468 P HA 0.254 nan 4.420 nan 0.000 0.274 468 P C -2.647 174.687 177.300 0.057 0.000 1.246 468 P CA -1.662 61.447 63.100 0.016 0.000 0.795 468 P CB 0.041 31.741 31.700 0.000 0.000 1.006 469 P HA 0.041 nan 4.420 nan 0.000 0.272 469 P C 1.053 178.394 177.300 0.068 0.000 1.230 469 P CA -0.090 63.049 63.100 0.066 0.000 0.788 469 P CB 0.314 32.042 31.700 0.048 0.000 0.949 470 V N -0.268 119.690 119.914 0.073 0.000 2.488 470 V HA -0.080 4.039 4.120 -0.001 0.000 0.246 470 V C 0.754 176.866 176.094 0.031 0.000 1.046 470 V CA 1.674 63.998 62.300 0.040 0.000 1.053 470 V CB -0.816 31.018 31.823 0.018 0.000 0.679 470 V HN 0.538 nan 8.190 nan 0.000 0.458 471 D N -0.021 120.409 120.400 0.049 0.000 2.414 471 D HA 0.471 5.110 4.640 -0.001 0.000 0.251 471 D C 0.301 176.618 176.300 0.028 0.000 1.252 471 D CA 0.354 54.385 54.000 0.052 0.000 0.999 471 D CB 0.646 41.496 40.800 0.084 0.000 1.093 471 D HN 0.300 nan 8.370 nan 0.000 0.515 472 A N -0.636 122.200 122.820 0.028 0.000 2.351 472 A HA 0.613 4.932 4.320 -0.001 0.000 0.257 472 A C 0.744 178.335 177.584 0.011 0.000 1.087 472 A CA 0.559 52.597 52.037 0.003 0.000 0.798 472 A CB -0.017 18.987 19.000 0.007 0.000 1.033 472 A HN 0.775 nan 8.150 nan 0.000 0.488 473 G N -1.321 107.470 108.800 -0.014 0.000 2.645 473 G HA2 0.368 4.327 3.960 -0.001 0.000 0.645 473 G HA3 0.368 4.327 3.960 -0.001 0.000 0.645 473 G C -0.869 174.028 174.900 -0.006 0.000 1.304 473 G CA -0.037 45.063 45.100 0.000 0.000 0.885 473 G HN 2.288 nan 8.290 nan 0.000 0.526 474 L N 0.791 122.015 121.223 0.003 0.000 2.318 474 L HA 0.438 4.778 4.340 -0.001 0.000 0.263 474 L C -1.297 175.576 176.870 0.005 0.000 1.461 474 L CA -0.084 54.756 54.840 -0.001 0.000 0.749 474 L CB 1.039 43.088 42.059 -0.017 0.000 0.917 474 L HN 0.377 nan 8.230 nan 0.000 0.531 475 P HA -0.210 nan 4.420 nan 0.000 0.217 475 P C 1.544 178.845 177.300 0.002 0.000 1.148 475 P CA 1.021 64.128 63.100 0.012 0.000 0.828 475 P CB 0.400 32.108 31.700 0.013 0.000 0.783 476 L N -0.908 120.314 121.223 -0.003 0.000 2.187 476 L HA -0.122 4.217 4.340 -0.001 0.000 0.213 476 L C 2.339 179.202 176.870 -0.011 0.000 1.100 476 L CA 1.468 56.303 54.840 -0.009 0.000 0.765 476 L CB -1.642 40.411 42.059 -0.009 0.000 0.904 476 L HN -0.146 nan 8.230 nan 0.000 0.437 477 L N -0.526 120.691 121.223 -0.009 0.000 2.027 477 L HA -0.060 4.279 4.340 -0.001 0.000 0.206 477 L C 2.538 179.404 176.870 -0.007 0.000 1.074 477 L CA 2.004 56.838 54.840 -0.011 0.000 0.745 477 L CB -1.118 40.934 42.059 -0.011 0.000 0.898 477 L HN 0.315 nan 8.230 nan 0.000 0.433 478 A N -0.854 121.967 122.820 0.000 0.000 1.855 478 A HA -0.158 4.161 4.320 -0.001 0.000 0.215 478 A C 2.254 179.834 177.584 -0.007 0.000 1.191 478 A CA 1.744 53.783 52.037 0.003 0.000 0.613 478 A CB -0.927 18.082 19.000 0.014 0.000 0.829 478 A HN 0.392 nan 8.150 nan 0.000 0.442 479 L N -0.361 120.856 121.223 -0.010 0.000 2.043 479 L HA -0.260 4.079 4.340 -0.001 0.000 0.212 479 L C 2.893 179.747 176.870 -0.028 0.000 1.075 479 L CA 1.328 56.156 54.840 -0.020 0.000 0.752 479 L CB -0.453 41.594 42.059 -0.021 0.000 0.891 479 L HN 0.425 nan 8.230 nan 0.000 0.432 480 A N -1.375 121.430 122.820 -0.024 0.000 2.259 480 A HA -0.171 4.148 4.320 -0.001 0.000 0.212 480 A C 2.059 179.626 177.584 -0.028 0.000 1.178 480 A CA 1.322 53.342 52.037 -0.028 0.000 0.734 480 A CB -0.246 18.741 19.000 -0.023 0.000 0.774 480 A HN 0.598 nan 8.150 nan 0.000 0.481 481 Q N -2.429 117.356 119.800 -0.025 0.000 2.322 481 Q HA 0.280 4.619 4.340 -0.001 0.000 0.250 481 Q C 1.915 177.899 176.000 -0.027 0.000 0.853 481 Q CA 0.659 56.448 55.803 -0.023 0.000 0.951 481 Q CB 0.425 29.154 28.738 -0.015 0.000 1.114 481 Q HN 0.586 nan 8.270 nan 0.000 0.523 482 A N 0.886 123.690 122.820 -0.028 0.000 2.014 482 A HA 0.481 4.800 4.320 -0.001 0.000 0.210 482 A C 1.058 178.612 177.584 -0.049 0.000 1.188 482 A CA 0.569 52.588 52.037 -0.030 0.000 0.731 482 A CB 0.203 19.191 19.000 -0.020 0.000 0.858 482 A HN 0.225 nan 8.150 nan 0.000 0.464 483 A N 0.236 123.020 122.820 -0.060 0.000 2.282 483 A HA 0.653 4.973 4.320 -0.001 0.000 0.319 483 A C -2.791 174.717 177.584 -0.126 0.000 1.121 483 A CA -1.837 50.145 52.037 -0.093 0.000 0.836 483 A CB -0.107 18.844 19.000 -0.082 0.000 1.146 483 A HN 0.120 nan 8.150 nan 0.000 0.494 484 P HA 0.186 nan 4.420 nan 0.000 0.263 484 P C -0.294 176.916 177.300 -0.150 0.000 1.195 484 P CA 0.616 63.573 63.100 -0.238 0.000 0.762 484 P CB 0.529 31.941 31.700 -0.481 0.000 0.799 485 T N 0.978 115.471 114.554 -0.101 0.000 2.900 485 T HA 0.729 5.079 4.350 -0.001 0.000 0.295 485 T C -0.565 174.107 174.700 -0.047 0.000 1.044 485 T CA -0.928 61.132 62.100 -0.067 0.000 0.995 485 T CB 1.126 69.965 68.868 -0.049 0.000 1.072 485 T HN 0.212 nan 8.240 nan 0.000 0.473 486 I N -0.381 120.170 120.570 -0.032 0.000 2.530 486 I HA 0.792 4.961 4.170 -0.001 0.000 0.297 486 I C -0.758 175.356 176.117 -0.005 0.000 1.011 486 I CA -1.182 60.109 61.300 -0.015 0.000 1.107 486 I CB 1.972 39.968 38.000 -0.006 0.000 1.285 486 I HN 0.864 nan 8.210 nan 0.000 0.436 487 K N 7.023 127.425 120.400 0.002 0.000 2.394 487 K HA 0.587 4.906 4.320 -0.001 0.000 0.260 487 K C -1.423 175.189 176.600 0.020 0.000 0.967 487 K CA -0.588 55.704 56.287 0.008 0.000 0.855 487 K CB 0.979 33.481 32.500 0.005 0.000 1.101 487 K HN 0.804 nan 8.250 nan 0.000 0.433 488 L N 3.654 124.895 121.223 0.029 0.000 2.371 488 L HA 0.252 4.591 4.340 -0.001 0.000 0.272 488 L C 1.204 178.095 176.870 0.035 0.000 1.124 488 L CA -0.189 54.678 54.840 0.045 0.000 0.816 488 L CB 1.268 43.367 42.059 0.067 0.000 1.129 488 L HN 0.894 nan 8.230 nan 0.000 0.448 489 T N -2.561 112.008 114.554 0.026 0.000 2.986 489 T HA 0.051 4.400 4.350 -0.001 0.000 0.264 489 T C 0.343 175.023 174.700 -0.034 0.000 0.964 489 T CA -0.361 61.744 62.100 0.008 0.000 0.895 489 T CB 0.302 69.176 68.868 0.011 0.000 1.163 489 T HN 0.371 nan 8.240 nan 0.000 0.517 490 Q N 2.400 122.150 119.800 -0.084 0.000 2.296 490 Q HA 0.520 4.859 4.340 -0.001 0.000 0.257 490 Q C -0.893 174.853 176.000 -0.423 0.000 0.942 490 Q CA -0.473 55.174 55.803 -0.259 0.000 0.939 490 Q CB 1.102 29.634 28.738 -0.343 0.000 1.198 490 Q HN 0.269 nan 8.270 nan 0.000 0.429 491 V N 6.810 126.527 119.914 -0.328 0.000 2.488 491 V HA 0.078 4.197 4.120 -0.001 0.000 0.277 491 V C -0.137 175.731 176.094 -0.377 0.000 1.046 491 V CA 0.216 62.371 62.300 -0.242 0.000 0.986 491 V CB 0.312 32.080 31.823 -0.091 0.000 0.989 491 V HN 0.913 nan 8.190 nan 0.000 0.475 492 Y N 2.626 122.926 120.300 0.000 0.000 2.526 492 Y HA 0.173 4.722 4.550 -0.001 0.000 0.265 492 Y C 2.135 178.032 175.900 -0.005 0.000 1.092 492 Y CA -0.101 57.998 58.100 -0.002 0.000 1.277 492 Y CB 0.006 38.463 38.460 -0.005 0.000 1.228 492 Y HN 0.475 nan 8.280 nan 0.000 0.507 493 R N 1.259 121.837 120.500 0.130 0.000 2.132 493 R HA -0.172 4.168 4.340 -0.001 0.000 0.233 493 R C -0.024 176.308 176.300 0.054 0.000 1.125 493 R CA 1.674 57.816 56.100 0.070 0.000 0.914 493 R CB -0.280 30.037 30.300 0.030 0.000 0.845 493 R HN 0.182 nan 8.270 nan 0.000 0.431 494 Q N -0.279 119.539 119.800 0.031 0.000 2.230 494 Q HA 0.496 4.835 4.340 -0.001 0.000 0.248 494 Q C -0.819 175.192 176.000 0.018 0.000 0.915 494 Q CA -0.010 55.808 55.803 0.024 0.000 0.900 494 Q CB 1.792 30.535 28.738 0.008 0.000 1.229 494 Q HN 0.474 nan 8.270 nan 0.000 0.439 495 A N 1.565 124.398 122.820 0.021 0.000 2.531 495 A HA 0.446 4.765 4.320 -0.001 0.000 0.236 495 A C 0.069 177.651 177.584 -0.003 0.000 1.062 495 A CA 0.080 52.126 52.037 0.015 0.000 0.760 495 A CB -0.206 18.804 19.000 0.018 0.000 0.995 495 A HN 0.839 nan 8.150 nan 0.000 0.501 496 A N 2.459 125.272 122.820 -0.012 0.000 2.584 496 A HA 0.382 4.702 4.320 -0.001 0.000 0.239 496 A C 0.953 178.524 177.584 -0.021 0.000 1.043 496 A CA 0.594 52.615 52.037 -0.025 0.000 0.756 496 A CB -0.183 18.799 19.000 -0.029 0.000 0.963 496 A HN 1.190 nan 8.150 nan 0.000 0.511 497 K N 0.245 120.629 120.400 -0.027 0.000 3.129 497 K HA -0.168 4.152 4.320 -0.001 0.000 0.273 497 K C -0.119 176.466 176.600 -0.025 0.000 1.123 497 K CA 1.132 57.401 56.287 -0.029 0.000 0.800 497 K CB -1.928 30.554 32.500 -0.030 0.000 1.238 497 K HN 0.949 nan 8.250 nan 0.000 0.492 498 N N 1.129 119.817 118.700 -0.020 0.000 2.529 498 N HA 0.141 4.880 4.740 -0.001 0.000 0.278 498 N C -1.620 173.869 175.510 -0.035 0.000 1.146 498 N CA -1.707 51.330 53.050 -0.022 0.000 0.980 498 N CB 1.229 39.709 38.487 -0.012 0.000 1.124 498 N HN -0.200 nan 8.380 nan 0.000 0.458 499 P HA -0.116 nan 4.420 nan 0.000 0.217 499 P C 1.463 178.708 177.300 -0.091 0.000 1.151 499 P CA 1.199 64.254 63.100 -0.075 0.000 0.849 499 P CB 0.252 31.899 31.700 -0.088 0.000 0.787 500 I N -1.205 119.318 120.570 -0.079 0.000 2.151 500 I HA -0.282 3.887 4.170 -0.001 0.000 0.243 500 I C 2.269 178.341 176.117 -0.075 0.000 1.080 500 I CA 1.638 62.881 61.300 -0.096 0.000 1.339 500 I CB -0.611 37.355 38.000 -0.056 0.000 1.039 500 I HN -0.078 nan 8.210 nan 0.000 0.409 501 I N 0.284 120.837 120.570 -0.028 0.000 2.208 501 I HA -0.334 3.836 4.170 -0.001 0.000 0.245 501 I C 2.627 178.817 176.117 0.121 0.000 1.097 501 I CA 1.588 62.910 61.300 0.037 0.000 1.363 501 I CB -0.396 37.633 38.000 0.048 0.000 1.051 501 I HN 0.358 nan 8.210 nan 0.000 0.413 502 Q N 0.653 120.481 119.800 0.046 0.000 2.046 502 Q HA -0.120 4.219 4.340 -0.001 0.000 0.200 502 Q C 2.485 178.506 176.000 0.035 0.000 0.975 502 Q CA 1.543 57.374 55.803 0.046 0.000 0.836 502 Q CB -0.359 28.359 28.738 -0.033 0.000 0.896 502 Q HN 0.541 nan 8.270 nan 0.000 0.428 503 A N 1.552 124.334 122.820 -0.063 0.000 1.908 503 A HA -0.169 4.150 4.320 -0.001 0.000 0.218 503 A C 2.364 179.929 177.584 -0.033 0.000 1.181 503 A CA 1.704 53.663 52.037 -0.130 0.000 0.627 503 A CB -0.908 17.914 19.000 -0.296 0.000 0.818 503 A HN 0.403 nan 8.150 nan 0.000 0.445 504 A N -1.382 121.434 122.820 -0.007 0.000 1.902 504 A HA -0.217 4.102 4.320 -0.001 0.000 0.217 504 A C 2.060 179.736 177.584 0.153 0.000 1.181 504 A CA 1.596 53.677 52.037 0.075 0.000 0.623 504 A CB -0.935 18.035 19.000 -0.051 0.000 0.818 504 A HN 0.682 nan 8.150 nan 0.000 0.443 505 H N -0.869 118.275 119.070 0.123 0.000 2.457 505 H HA -0.083 4.473 4.556 -0.001 0.000 0.294 505 H C 2.396 177.835 175.328 0.186 0.000 1.064 505 H CA 1.245 57.379 56.048 0.143 0.000 1.330 505 H CB -0.260 29.555 29.762 0.087 0.000 1.395 505 H HN 0.536 nan 8.280 nan 0.000 0.541 506 G N 0.590 109.512 108.800 0.203 0.000 2.394 506 G HA2 -0.141 3.818 3.960 -0.001 0.000 0.215 506 G HA3 -0.141 3.818 3.960 -0.001 0.000 0.215 506 G C 1.906 176.888 174.900 0.137 0.000 1.165 506 G CA 0.108 45.295 45.100 0.144 0.000 0.784 506 G HN 0.245 nan 8.290 nan 0.000 0.535 507 L N 0.130 121.418 121.223 0.109 0.000 2.079 507 L HA -0.010 4.329 4.340 -0.001 0.000 0.210 507 L C 2.714 179.569 176.870 -0.026 0.000 1.081 507 L CA 0.524 55.417 54.840 0.090 0.000 0.752 507 L CB -0.351 41.812 42.059 0.174 0.000 0.896 507 L HN 0.186 nan 8.230 nan 0.000 0.433 508 L N -1.066 120.087 121.223 -0.116 0.000 2.456 508 L HA -0.184 4.156 4.340 -0.001 0.000 0.224 508 L C 0.989 177.599 176.870 -0.434 0.000 1.148 508 L CA 0.821 55.447 54.840 -0.356 0.000 0.825 508 L CB -0.495 41.288 42.059 -0.462 0.000 0.937 508 L HN 0.374 nan 8.230 nan 0.000 0.450 509 H N -1.124 117.922 119.070 -0.040 0.000 2.475 509 H HA 0.296 4.851 4.556 -0.001 0.000 0.276 509 H C 1.312 176.634 175.328 -0.010 0.000 1.126 509 H CA 0.259 56.294 56.048 -0.022 0.000 1.023 509 H CB 0.478 30.236 29.762 -0.007 0.000 1.669 509 H HN 0.170 nan 8.280 nan 0.000 0.573 510 G N 0.967 109.798 108.800 0.053 0.000 2.168 510 G HA2 -0.355 3.605 3.960 -0.001 0.000 0.257 510 G HA3 -0.355 3.605 3.960 -0.001 0.000 0.257 510 G C 0.155 175.099 174.900 0.074 0.000 0.997 510 G CA 0.579 45.710 45.100 0.052 0.000 0.708 510 G HN 0.545 nan 8.290 nan 0.000 0.520 511 E N 0.251 120.502 120.200 0.085 0.000 2.158 511 E HA 0.701 5.050 4.350 -0.001 0.000 0.271 511 E C 0.742 177.383 176.600 0.067 0.000 0.911 511 E CA -0.243 56.198 56.400 0.068 0.000 0.767 511 E CB 0.939 30.667 29.700 0.046 0.000 1.120 511 E HN 0.682 nan 8.360 nan 0.000 0.405 512 A N 4.952 127.822 122.820 0.082 0.000 2.386 512 A HA 0.383 4.702 4.320 -0.001 0.000 0.246 512 A C -2.234 175.277 177.584 -0.122 0.000 1.089 512 A CA -1.038 51.056 52.037 0.096 0.000 0.790 512 A CB -0.206 18.919 19.000 0.209 0.000 1.042 512 A HN 0.570 nan 8.150 nan 0.000 0.497 513 P HA 0.359 nan 4.420 nan 0.000 0.275 513 P C -0.750 176.027 177.300 -0.872 0.000 1.228 513 P CA 0.041 62.651 63.100 -0.818 0.000 0.786 513 P CB 0.865 31.621 31.700 -1.573 0.000 0.927 514 A N 3.357 125.832 122.820 -0.575 0.000 2.650 514 A HA 0.291 4.610 4.320 -0.001 0.000 0.320 514 A C -0.548 176.840 177.584 -0.328 0.000 1.466 514 A CA -0.647 51.190 52.037 -0.333 0.000 1.099 514 A CB -0.954 17.941 19.000 -0.174 0.000 1.136 514 A HN 0.479 nan 8.150 nan 0.000 0.532 515 W N 0.982 122.232 121.300 -0.084 0.000 2.112 515 W HA 0.446 5.105 4.660 -0.001 0.000 0.349 515 W C 1.268 177.758 176.519 -0.048 0.000 1.289 515 W CA 1.333 58.628 57.345 -0.084 0.000 1.256 515 W CB 0.571 29.977 29.460 -0.091 0.000 1.148 515 W HN 0.941 nan 8.180 nan 0.000 0.590 516 G N -0.615 108.316 108.800 0.218 0.000 3.345 516 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.199 516 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.199 516 G C -0.052 174.896 174.900 0.079 0.000 1.057 516 G CA -0.271 44.902 45.100 0.121 0.000 0.865 516 G HN 0.513 nan 8.290 nan 0.000 0.449 517 D N 1.041 121.470 120.400 0.048 0.000 2.378 517 D HA 0.212 4.851 4.640 -0.001 0.000 0.238 517 D C 1.305 177.614 176.300 0.015 0.000 1.180 517 D CA 0.105 54.115 54.000 0.016 0.000 0.895 517 D CB 0.852 41.640 40.800 -0.020 0.000 1.192 517 D HN 0.303 nan 8.370 nan 0.000 0.438 518 K N 1.433 121.843 120.400 0.018 0.000 2.362 518 K HA -0.082 4.238 4.320 -0.001 0.000 0.200 518 K C 1.614 178.171 176.600 -0.072 0.000 1.046 518 K CA 0.852 57.165 56.287 0.043 0.000 0.952 518 K CB 0.329 32.869 32.500 0.066 0.000 0.753 518 K HN 0.268 nan 8.250 nan 0.000 0.466 519 R N -0.340 120.086 120.500 -0.123 0.000 2.335 519 R HA 0.243 4.582 4.340 -0.001 0.000 0.210 519 R C 0.247 176.393 176.300 -0.257 0.000 0.892 519 R CA 0.070 56.043 56.100 -0.211 0.000 1.048 519 R CB 0.725 30.974 30.300 -0.085 0.000 1.067 519 R HN -0.008 nan 8.270 nan 0.000 0.524 520 L N 1.587 122.717 121.223 -0.155 0.000 2.481 520 L HA 0.389 4.728 4.340 -0.001 0.000 0.255 520 L C -1.611 175.364 176.870 0.176 0.000 1.192 520 L CA -0.186 54.643 54.840 -0.018 0.000 0.924 520 L CB 0.978 42.988 42.059 -0.082 0.000 1.179 520 L HN 0.139 nan 8.230 nan 0.000 0.491 521 N N 2.616 121.427 118.700 0.186 0.000 2.405 521 N HA 0.691 5.430 4.740 -0.001 0.000 0.285 521 N C -1.821 173.726 175.510 0.061 0.000 1.262 521 N CA -0.692 52.520 53.050 0.269 0.000 0.773 521 N CB 2.810 41.406 38.487 0.182 0.000 1.490 521 N HN 0.364 nan 8.380 nan 0.000 0.486 522 L N 1.093 122.178 121.223 -0.228 0.000 2.431 522 L HA 0.609 4.948 4.340 -0.001 0.000 0.266 522 L C -1.144 175.564 176.870 -0.270 0.000 0.978 522 L CA -0.330 54.156 54.840 -0.590 0.000 0.822 522 L CB 2.028 43.148 42.059 -1.565 0.000 1.310 522 L HN 0.658 nan 8.230 nan 0.000 0.409 523 T N -0.218 114.230 114.554 -0.177 0.000 2.809 523 T HA 0.470 4.820 4.350 -0.001 0.000 0.284 523 T C -0.398 174.256 174.700 -0.076 0.000 0.992 523 T CA -0.843 61.201 62.100 -0.093 0.000 0.957 523 T CB 1.406 70.241 68.868 -0.055 0.000 0.942 523 T HN 0.577 nan 8.240 nan 0.000 0.439 524 E N 2.803 122.972 120.200 -0.053 0.000 2.414 524 E HA 0.354 4.704 4.350 -0.001 0.000 0.263 524 E C 0.245 176.845 176.600 0.000 0.000 1.000 524 E CA 0.126 56.520 56.400 -0.010 0.000 0.914 524 E CB 0.784 30.485 29.700 0.002 0.000 0.948 524 E HN 0.845 nan 8.360 nan 0.000 0.444 525 I N -1.471 119.116 120.570 0.028 0.000 2.918 525 I HA 0.416 4.585 4.170 -0.001 0.000 0.301 525 I C -0.624 175.476 176.117 -0.028 0.000 1.312 525 I CA -1.014 60.280 61.300 -0.010 0.000 1.007 525 I CB 2.316 40.292 38.000 -0.039 0.000 1.281 525 I HN 0.042 nan 8.210 nan 0.000 0.440 526 E N 3.719 123.866 120.200 -0.088 0.000 2.222 526 E HA 0.417 4.766 4.350 -0.001 0.000 0.267 526 E C -2.077 174.367 176.600 -0.260 0.000 0.963 526 E CA -2.004 54.294 56.400 -0.169 0.000 0.837 526 E CB 1.822 31.482 29.700 -0.067 0.000 1.183 526 E HN 0.470 nan 8.360 nan 0.000 0.403 527 P HA -0.114 nan 4.420 nan 0.000 0.219 527 P C -0.259 176.963 177.300 -0.131 0.000 1.146 527 P CA 1.031 63.974 63.100 -0.261 0.000 0.808 527 P CB 0.317 31.863 31.700 -0.257 0.000 0.779 528 D N 0.650 120.989 120.400 -0.102 0.000 2.338 528 D HA 0.228 4.868 4.640 -0.001 0.000 0.255 528 D C 1.412 177.679 176.300 -0.055 0.000 1.237 528 D CA 0.659 54.624 54.000 -0.058 0.000 0.883 528 D CB 0.048 40.823 40.800 -0.042 0.000 1.087 528 D HN 0.136 nan 8.370 nan 0.000 0.485 529 G N 2.752 111.527 108.800 -0.040 0.000 2.153 529 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.252 529 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.252 529 G C 1.174 175.999 174.900 -0.125 0.000 0.994 529 G CA 0.332 45.391 45.100 -0.068 0.000 0.698 529 G HN 0.640 nan 8.290 nan 0.000 0.521 530 G N 0.329 109.054 108.800 -0.125 0.000 2.404 530 G HA2 0.262 4.221 3.960 -0.001 0.000 0.214 530 G HA3 0.262 4.221 3.960 -0.001 0.000 0.214 530 G C 2.018 176.812 174.900 -0.177 0.000 1.189 530 G CA 2.302 47.321 45.100 -0.135 0.000 0.789 530 G HN 1.503 nan 8.290 nan 0.000 0.533 531 A N 1.001 123.677 122.820 -0.241 0.000 1.908 531 A HA -0.115 4.204 4.320 -0.001 0.000 0.218 531 A C 2.325 179.631 177.584 -0.463 0.000 1.181 531 A CA 2.376 54.208 52.037 -0.341 0.000 0.627 531 A CB -0.476 18.247 19.000 -0.462 0.000 0.818 531 A HN 0.340 nan 8.150 nan 0.000 0.445 532 R N -0.184 119.891 120.500 -0.709 0.000 2.096 532 R HA -0.156 4.183 4.340 -0.001 0.000 0.240 532 R C 2.203 178.397 176.300 -0.177 0.000 1.139 532 R CA 2.222 58.101 56.100 -0.367 0.000 0.952 532 R CB -0.589 29.580 30.300 -0.218 0.000 0.854 532 R HN 0.478 nan 8.270 nan 0.000 0.436 533 R N -0.605 119.798 120.500 -0.161 0.000 2.080 533 R HA -0.074 4.265 4.340 -0.001 0.000 0.236 533 R C 2.205 178.449 176.300 -0.092 0.000 1.137 533 R CA 1.874 57.909 56.100 -0.107 0.000 0.943 533 R CB -0.622 29.622 30.300 -0.093 0.000 0.846 533 R HN 0.142 nan 8.270 nan 0.000 0.431 534 V N 0.716 120.575 119.914 -0.092 0.000 2.324 534 V HA -0.323 3.796 4.120 -0.001 0.000 0.250 534 V C 2.316 178.388 176.094 -0.036 0.000 1.060 534 V CA 2.099 64.362 62.300 -0.061 0.000 1.042 534 V CB -0.907 30.890 31.823 -0.044 0.000 0.650 534 V HN 0.562 nan 8.190 nan 0.000 0.450 535 A N -0.536 122.266 122.820 -0.031 0.000 1.933 535 A HA -0.146 4.174 4.320 -0.001 0.000 0.218 535 A C 2.202 179.794 177.584 0.012 0.000 1.175 535 A CA 1.796 53.852 52.037 0.033 0.000 0.628 535 A CB -0.488 18.499 19.000 -0.023 0.000 0.814 535 A HN 0.528 nan 8.150 nan 0.000 0.444 536 L N -1.333 119.853 121.223 -0.062 0.000 2.156 536 L HA -0.133 4.206 4.340 -0.001 0.000 0.208 536 L C 2.790 179.634 176.870 -0.044 0.000 1.095 536 L CA 1.082 55.878 54.840 -0.073 0.000 0.770 536 L CB -0.410 41.596 42.059 -0.087 0.000 0.914 536 L HN 0.406 nan 8.230 nan 0.000 0.439 537 M N -1.065 118.499 119.600 -0.060 0.000 2.159 537 M HA -0.185 4.294 4.480 -0.001 0.000 0.263 537 M C 2.289 178.528 176.300 -0.102 0.000 1.063 537 M CA 1.347 56.584 55.300 -0.105 0.000 1.110 537 M CB -0.296 32.227 32.600 -0.128 0.000 1.374 537 M HN 0.076 nan 8.290 nan 0.000 0.411 538 V N 0.160 120.062 119.914 -0.021 0.000 2.261 538 V HA -0.292 3.827 4.120 -0.001 0.000 0.246 538 V C 2.366 178.501 176.094 0.069 0.000 1.047 538 V CA 2.111 64.407 62.300 -0.006 0.000 1.015 538 V CB -0.802 31.045 31.823 0.041 0.000 0.642 538 V HN 0.474 nan 8.190 nan 0.000 0.446 539 R N 0.397 121.077 120.500 0.300 0.000 2.096 539 R HA -0.254 4.085 4.340 -0.001 0.000 0.240 539 R C 2.331 178.675 176.300 0.073 0.000 1.139 539 R CA 2.237 58.518 56.100 0.301 0.000 0.952 539 R CB -0.435 29.962 30.300 0.162 0.000 0.854 539 R HN 0.651 nan 8.270 nan 0.000 0.436 540 E N 0.204 120.402 120.200 -0.004 0.000 2.401 540 E HA -0.159 4.191 4.350 -0.001 0.000 0.199 540 E C 0.848 177.392 176.600 -0.094 0.000 1.023 540 E CA 0.740 57.106 56.400 -0.057 0.000 0.859 540 E CB 0.092 29.738 29.700 -0.090 0.000 0.780 540 E HN 0.479 nan 8.360 nan 0.000 0.523 541 L N -0.992 120.167 121.223 -0.107 0.000 2.857 541 L HA 0.336 4.676 4.340 -0.001 0.000 0.249 541 L C 1.101 177.926 176.870 -0.076 0.000 1.172 541 L CA 0.308 55.067 54.840 -0.135 0.000 0.980 541 L CB 0.931 42.851 42.059 -0.231 0.000 1.299 541 L HN 0.294 nan 8.230 nan 0.000 0.535 542 G N -0.582 108.190 108.800 -0.048 0.000 2.184 542 G HA2 -0.030 3.930 3.960 -0.001 0.000 0.206 542 G HA3 -0.030 3.930 3.960 -0.001 0.000 0.206 542 G C 0.579 175.429 174.900 -0.084 0.000 0.995 542 G CA -0.194 44.882 45.100 -0.041 0.000 0.651 542 G HN 0.813 nan 8.290 nan 0.000 0.511 543 G N -0.847 107.864 108.800 -0.149 0.000 2.712 543 G HA2 0.218 4.177 3.960 -0.001 0.000 0.683 543 G HA3 0.218 4.177 3.960 -0.001 0.000 0.683 543 G C -1.027 173.568 174.900 -0.507 0.000 1.320 543 G CA 0.162 44.992 45.100 -0.451 0.000 0.847 543 G HN 0.562 nan 8.290 nan 0.000 0.553 544 P HA -0.060 nan 4.420 nan 0.000 0.218 544 P C 1.839 179.031 177.300 -0.180 0.000 1.146 544 P CA 2.309 65.163 63.100 -0.410 0.000 0.820 544 P CB -0.064 31.433 31.700 -0.339 0.000 0.778 545 G N -1.233 107.476 108.800 -0.151 0.000 2.813 545 G HA2 0.096 4.055 3.960 -0.001 0.000 0.209 545 G HA3 0.096 4.055 3.960 -0.001 0.000 0.209 545 G C 1.190 176.076 174.900 -0.023 0.000 1.150 545 G CA 0.604 45.673 45.100 -0.051 0.000 0.785 545 G HN 0.348 nan 8.290 nan 0.000 0.535 546 A N -0.580 122.204 122.820 -0.060 0.000 2.431 546 A HA 0.634 4.953 4.320 -0.001 0.000 0.239 546 A C -0.001 177.577 177.584 -0.010 0.000 1.230 546 A CA 0.110 52.138 52.037 -0.015 0.000 0.928 546 A CB 0.645 19.630 19.000 -0.025 0.000 1.006 546 A HN 0.731 nan 8.150 nan 0.000 0.520 547 V N -0.040 119.834 119.914 -0.066 0.000 2.852 547 V HA 0.522 4.642 4.120 -0.001 0.000 0.300 547 V C -2.070 173.905 176.094 -0.199 0.000 1.205 547 V CA -0.560 61.688 62.300 -0.085 0.000 0.940 547 V CB 2.082 33.848 31.823 -0.095 0.000 1.047 547 V HN 0.364 nan 8.190 nan 0.000 0.429 548 Q N 4.216 123.819 119.800 -0.329 0.000 2.257 548 Q HA 0.665 5.005 4.340 -0.001 0.000 0.255 548 Q C -1.320 174.441 176.000 -0.397 0.000 0.920 548 Q CA -0.185 55.245 55.803 -0.621 0.000 0.927 548 Q CB 1.890 29.646 28.738 -1.636 0.000 1.229 548 Q HN 0.717 nan 8.270 nan 0.000 0.433 549 V N 6.136 125.876 119.914 -0.290 0.000 2.407 549 V HA 0.435 4.555 4.120 -0.001 0.000 0.278 549 V C -0.242 175.770 176.094 -0.138 0.000 1.037 549 V CA -0.511 61.695 62.300 -0.156 0.000 0.900 549 V CB 0.999 32.779 31.823 -0.071 0.000 0.983 549 V HN 0.748 nan 8.190 nan 0.000 0.459 550 L N 4.215 125.399 121.223 -0.064 0.000 2.362 550 L HA 0.750 5.089 4.340 -0.001 0.000 0.271 550 L C -0.183 176.698 176.870 0.019 0.000 1.002 550 L CA -0.243 54.591 54.840 -0.010 0.000 0.818 550 L CB 2.357 44.447 42.059 0.051 0.000 1.298 550 L HN 0.662 nan 8.230 nan 0.000 0.420 551 T N 1.178 115.733 114.554 0.000 0.000 2.909 551 T HA 0.469 4.819 4.350 -0.001 0.000 0.299 551 T C -2.388 172.243 174.700 -0.114 0.000 1.073 551 T CA -1.588 60.472 62.100 -0.066 0.000 0.999 551 T CB 2.235 71.103 68.868 -0.001 0.000 1.098 551 T HN 0.230 nan 8.240 nan 0.000 0.477 552 P HA 0.190 nan 4.420 nan 0.000 0.222 552 P C 0.072 177.330 177.300 -0.070 0.000 1.153 552 P CA 0.909 63.898 63.100 -0.185 0.000 0.798 552 P CB 0.192 31.704 31.700 -0.314 0.000 0.796 553 M N -2.465 117.093 119.600 -0.070 0.000 2.690 553 M HA 0.404 4.883 4.480 -0.001 0.000 0.302 553 M C 1.015 177.355 176.300 0.066 0.000 1.234 553 M CA -0.758 54.564 55.300 0.038 0.000 0.853 553 M CB 2.449 35.116 32.600 0.112 0.000 1.748 553 M HN -0.380 nan 8.290 nan 0.000 0.469 554 R N 0.093 120.632 120.500 0.065 0.000 2.090 554 R HA 0.157 4.497 4.340 -0.001 0.000 0.219 554 R C 0.173 176.526 176.300 0.088 0.000 1.100 554 R CA 0.554 56.698 56.100 0.073 0.000 0.991 554 R CB 0.067 30.400 30.300 0.056 0.000 0.893 554 R HN 0.404 nan 8.270 nan 0.000 0.443 555 K N 0.610 121.056 120.400 0.077 0.000 2.132 555 K HA 0.513 4.832 4.320 -0.001 0.000 0.241 555 K C 0.440 177.084 176.600 0.073 0.000 1.000 555 K CA 0.005 56.332 56.287 0.067 0.000 0.911 555 K CB 0.901 33.427 32.500 0.043 0.000 1.093 555 K HN 0.283 nan 8.250 nan 0.000 0.460 556 G N 0.383 109.202 108.800 0.032 0.000 2.662 556 G HA2 -0.129 3.830 3.960 -0.001 0.000 0.686 556 G HA3 -0.129 3.830 3.960 -0.001 0.000 0.686 556 G C -2.231 172.666 174.900 -0.005 0.000 1.271 556 G CA -0.793 44.311 45.100 0.006 0.000 0.816 556 G HN 0.319 nan 8.290 nan 0.000 0.608 557 P HA 0.011 nan 4.420 nan 0.000 0.219 557 P C 1.428 178.797 177.300 0.115 0.000 1.146 557 P CA 1.103 64.180 63.100 -0.039 0.000 0.808 557 P CB 0.081 31.730 31.700 -0.085 0.000 0.779 558 L N -1.995 119.264 121.223 0.060 0.000 3.017 558 L HA 0.366 4.705 4.340 -0.001 0.000 0.255 558 L C 1.055 178.092 176.870 0.279 0.000 1.247 558 L CA -0.685 54.231 54.840 0.126 0.000 1.038 558 L CB 0.102 42.150 42.059 -0.020 0.000 1.380 558 L HN -0.071 nan 8.230 nan 0.000 0.548 559 G N -0.722 108.211 108.800 0.220 0.000 2.502 559 G HA2 0.268 4.227 3.960 -0.001 0.000 0.305 559 G HA3 0.268 4.227 3.960 -0.001 0.000 0.305 559 G C 0.661 175.664 174.900 0.171 0.000 1.190 559 G CA -0.528 44.691 45.100 0.198 0.000 0.933 559 G HN 0.060 nan 8.290 nan 0.000 0.503 560 M N -0.201 119.477 119.600 0.130 0.000 2.149 560 M HA -0.120 4.359 4.480 -0.001 0.000 0.261 560 M C 1.575 177.961 176.300 0.143 0.000 1.064 560 M CA 1.832 57.203 55.300 0.118 0.000 1.102 560 M CB -0.147 32.507 32.600 0.089 0.000 1.369 560 M HN 0.513 nan 8.290 nan 0.000 0.408 561 D N -0.957 119.533 120.400 0.150 0.000 2.117 561 D HA -0.200 4.440 4.640 -0.001 0.000 0.198 561 D C 1.911 178.356 176.300 0.241 0.000 0.982 561 D CA 1.277 55.377 54.000 0.167 0.000 0.828 561 D CB -0.593 40.287 40.800 0.134 0.000 0.967 561 D HN 0.591 nan 8.370 nan 0.000 0.464 562 H N -0.045 119.106 119.070 0.134 0.000 2.436 562 H HA 0.089 4.644 4.556 -0.001 0.000 0.294 562 H C 2.202 177.696 175.328 0.277 0.000 1.048 562 H CA 0.287 56.444 56.048 0.182 0.000 1.353 562 H CB 0.250 30.087 29.762 0.125 0.000 1.414 562 H HN 0.066 nan 8.280 nan 0.000 0.536 563 L N 0.281 121.618 121.223 0.191 0.000 2.093 563 L HA -0.176 4.163 4.340 -0.001 0.000 0.208 563 L C 2.178 179.139 176.870 0.151 0.000 1.085 563 L CA 1.168 56.083 54.840 0.124 0.000 0.755 563 L CB -0.392 41.734 42.059 0.111 0.000 0.904 563 L HN 0.327 nan 8.230 nan 0.000 0.435 564 N N -1.118 117.695 118.700 0.188 0.000 2.084 564 N HA -0.272 4.467 4.740 -0.001 0.000 0.190 564 N C 1.868 177.497 175.510 0.198 0.000 1.030 564 N CA 1.332 54.522 53.050 0.233 0.000 0.849 564 N CB -0.195 38.423 38.487 0.218 0.000 1.012 564 N HN 0.228 nan 8.380 nan 0.000 0.423 565 Y N 1.598 121.928 120.300 0.050 0.000 2.053 565 Y HA -0.325 4.224 4.550 -0.001 0.000 0.277 565 Y C 2.461 178.272 175.900 -0.150 0.000 1.159 565 Y CA 1.826 59.898 58.100 -0.048 0.000 1.125 565 Y CB -0.512 37.898 38.460 -0.083 0.000 0.969 565 Y HN 0.251 nan 8.280 nan 0.000 0.492 566 H N -0.982 118.082 119.070 -0.009 0.000 2.421 566 H HA -0.141 4.415 4.556 -0.001 0.000 0.298 566 H C 2.166 177.380 175.328 -0.191 0.000 1.087 566 H CA 1.641 57.611 56.048 -0.131 0.000 1.330 566 H CB -0.087 29.603 29.762 -0.120 0.000 1.388 566 H HN 0.333 nan 8.280 nan 0.000 0.526 567 L N 1.023 122.235 121.223 -0.017 0.000 2.056 567 L HA -0.145 4.194 4.340 -0.001 0.000 0.207 567 L C 2.725 179.408 176.870 -0.312 0.000 1.078 567 L CA 1.399 56.189 54.840 -0.083 0.000 0.749 567 L CB -0.918 41.085 42.059 -0.092 0.000 0.901 567 L HN 0.269 nan 8.230 nan 0.000 0.433 568 Q N -0.875 118.740 119.800 -0.309 0.000 2.046 568 Q HA -0.186 4.153 4.340 -0.001 0.000 0.200 568 Q C 2.161 177.994 176.000 -0.277 0.000 0.975 568 Q CA 1.723 57.376 55.803 -0.250 0.000 0.836 568 Q CB -0.037 28.690 28.738 -0.017 0.000 0.896 568 Q HN 0.484 nan 8.270 nan 0.000 0.428 569 A N 1.116 123.692 122.820 -0.406 0.000 1.972 569 A HA -0.157 4.162 4.320 -0.001 0.000 0.219 569 A C 1.955 179.342 177.584 -0.329 0.000 1.169 569 A CA 1.073 52.861 52.037 -0.415 0.000 0.635 569 A CB -0.565 18.079 19.000 -0.593 0.000 0.810 569 A HN 0.519 nan 8.150 nan 0.000 0.446 570 L N -1.961 119.033 121.223 -0.382 0.000 2.127 570 L HA 0.121 4.461 4.340 -0.001 0.000 0.203 570 L C 1.694 178.152 176.870 -0.687 0.000 1.080 570 L CA 1.798 56.303 54.840 -0.559 0.000 0.768 570 L CB -0.631 40.978 42.059 -0.750 0.000 0.924 570 L HN 0.446 nan 8.230 nan 0.000 0.444 571 F N -0.770 119.034 119.950 -0.244 0.000 2.731 571 F HA 0.177 4.703 4.527 -0.001 0.000 0.298 571 F C 1.324 177.034 175.800 -0.151 0.000 1.106 571 F CA 0.026 57.904 58.000 -0.203 0.000 1.329 571 F CB 0.195 39.038 39.000 -0.261 0.000 1.100 571 F HN 0.157 nan 8.300 nan 0.000 0.592 572 N N 0.932 119.613 118.700 -0.032 0.000 2.664 572 N HA 0.140 4.879 4.740 -0.001 0.000 0.287 572 N C -2.832 172.639 175.510 -0.065 0.000 1.869 572 N CA -1.417 51.627 53.050 -0.010 0.000 0.832 572 N CB 0.894 39.418 38.487 0.061 0.000 1.293 572 N HN -0.198 nan 8.380 nan 0.000 0.498 573 P HA 0.215 nan 4.420 nan 0.000 0.267 573 P C 0.454 177.708 177.300 -0.077 0.000 1.200 573 P CA 0.942 63.973 63.100 -0.115 0.000 0.772 573 P CB 1.598 33.227 31.700 -0.118 0.000 0.855 574 G N 2.930 111.684 108.800 -0.077 0.000 2.292 574 G HA2 -0.066 3.893 3.960 -0.001 0.000 0.194 574 G HA3 -0.066 3.893 3.960 -0.001 0.000 0.194 574 G C -1.043 173.833 174.900 -0.039 0.000 1.329 574 G CA -0.553 44.516 45.100 -0.051 0.000 1.100 574 G HN 0.442 nan 8.290 nan 0.000 0.470 575 E N 1.539 121.722 120.200 -0.028 0.000 3.125 575 E HA 0.417 4.766 4.350 -0.001 0.000 0.304 575 E C 1.066 177.656 176.600 -0.016 0.000 1.207 575 E CA 0.406 56.794 56.400 -0.020 0.000 1.303 575 E CB -0.972 28.718 29.700 -0.018 0.000 1.075 575 E HN 1.812 nan 8.360 nan 0.000 0.473 576 G N 1.408 110.199 108.800 -0.014 0.000 2.530 576 G HA2 -0.113 3.847 3.960 -0.001 0.000 0.305 576 G HA3 -0.113 3.847 3.960 -0.001 0.000 0.305 576 G C 0.661 175.556 174.900 -0.009 0.000 0.185 576 G CA 0.241 45.336 45.100 -0.008 0.000 1.140 576 G HN 0.576 nan 8.290 nan 0.000 0.516 577 G N 0.161 108.953 108.800 -0.013 0.000 2.666 577 G HA2 0.546 4.505 3.960 -0.001 0.000 0.207 577 G HA3 0.546 4.505 3.960 -0.001 0.000 0.207 577 G C 0.247 175.135 174.900 -0.020 0.000 1.481 577 G CA -0.151 44.938 45.100 -0.018 0.000 1.071 577 G HN 0.977 nan 8.290 nan 0.000 0.572 578 V N 1.266 121.162 119.914 -0.031 0.000 2.488 578 V HA 0.240 4.359 4.120 -0.001 0.000 0.277 578 V C 0.720 176.776 176.094 -0.064 0.000 1.046 578 V CA -0.376 61.899 62.300 -0.041 0.000 0.986 578 V CB 0.841 32.635 31.823 -0.047 0.000 0.989 578 V HN 0.442 nan 8.190 nan 0.000 0.475 579 R N 4.458 124.916 120.500 -0.071 0.000 2.537 579 R HA 0.432 4.772 4.340 -0.001 0.000 0.280 579 R C 0.019 176.171 176.300 -0.247 0.000 1.058 579 R CA 0.063 56.099 56.100 -0.107 0.000 1.057 579 R CB 0.563 30.825 30.300 -0.063 0.000 0.973 579 R HN 0.825 nan 8.270 nan 0.000 0.438 580 I N -1.305 119.104 120.570 -0.269 0.000 3.971 580 I HA 0.480 4.649 4.170 -0.001 0.000 0.253 580 I C 1.211 177.078 176.117 -0.416 0.000 1.103 580 I CA -0.862 60.185 61.300 -0.421 0.000 1.343 580 I CB 0.311 38.182 38.000 -0.216 0.000 1.364 580 I HN 0.461 nan 8.210 nan 0.000 0.444 581 A N 0.209 122.879 122.820 -0.249 0.000 1.863 581 A HA -0.098 4.221 4.320 -0.001 0.000 0.218 581 A C 0.799 178.401 177.584 0.030 0.000 1.233 581 A CA 1.754 53.776 52.037 -0.026 0.000 0.655 581 A CB -0.794 18.228 19.000 0.035 0.000 0.839 581 A HN 0.770 nan 8.150 nan 0.000 0.454 582 E N -1.518 118.696 120.200 0.023 0.000 2.234 582 E HA 0.484 4.833 4.350 -0.001 0.000 0.266 582 E C 0.360 176.992 176.600 0.054 0.000 0.877 582 E CA 0.288 56.721 56.400 0.056 0.000 0.758 582 E CB 1.076 30.823 29.700 0.078 0.000 1.170 582 E HN 1.102 nan 8.360 nan 0.000 0.415 583 G N 3.170 112.011 108.800 0.067 0.000 2.645 583 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.239 583 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.239 583 G C -0.317 174.599 174.900 0.026 0.000 1.331 583 G CA 0.292 45.442 45.100 0.084 0.000 0.890 583 G HN 0.695 nan 8.290 nan 0.000 0.572 584 E N -0.904 119.311 120.200 0.025 0.000 2.393 584 E HA 0.776 5.126 4.350 -0.001 0.000 0.265 584 E C -0.252 176.339 176.600 -0.015 0.000 0.941 584 E CA -0.732 55.661 56.400 -0.012 0.000 0.801 584 E CB 1.957 31.655 29.700 -0.004 0.000 1.313 584 E HN 1.826 nan 8.360 nan 0.000 0.435 585 A N 1.138 123.938 122.820 -0.033 0.000 2.365 585 A HA 0.702 5.021 4.320 -0.001 0.000 0.318 585 A C -0.728 176.838 177.584 -0.029 0.000 1.091 585 A CA -0.801 51.216 52.037 -0.034 0.000 0.763 585 A CB 1.138 20.103 19.000 -0.058 0.000 1.248 585 A HN 0.573 nan 8.150 nan 0.000 0.442 586 R N 1.882 122.370 120.500 -0.019 0.000 2.795 586 R HA 0.532 4.871 4.340 -0.001 0.000 0.275 586 R C -2.889 173.399 176.300 -0.020 0.000 0.981 586 R CA -2.164 53.925 56.100 -0.018 0.000 0.917 586 R CB 2.185 32.479 30.300 -0.010 0.000 1.202 586 R HN 0.525 nan 8.270 nan 0.000 0.469 587 P HA -0.120 nan 4.420 nan 0.000 0.264 587 P C 0.512 177.805 177.300 -0.012 0.000 1.183 587 P CA 1.140 64.223 63.100 -0.029 0.000 0.763 587 P CB 0.674 32.358 31.700 -0.027 0.000 0.807 588 G N 2.115 110.905 108.800 -0.018 0.000 2.254 588 G HA2 -0.176 3.784 3.960 -0.001 0.000 0.225 588 G HA3 -0.176 3.784 3.960 -0.001 0.000 0.225 588 G C 0.003 174.923 174.900 0.033 0.000 1.003 588 G CA -0.174 44.932 45.100 0.009 0.000 0.622 588 G HN 0.524 nan 8.290 nan 0.000 0.507 589 D N 1.660 122.074 120.400 0.024 0.000 2.423 589 D HA 0.466 5.106 4.640 -0.001 0.000 0.238 589 D C 0.565 176.778 176.300 -0.146 0.000 1.142 589 D CA 0.827 54.833 54.000 0.009 0.000 0.884 589 D CB 0.875 41.664 40.800 -0.019 0.000 1.199 589 D HN 0.146 nan 8.370 nan 0.000 0.438 590 T N 1.194 115.530 114.554 -0.363 0.000 2.799 590 T HA 0.437 4.786 4.350 -0.001 0.000 0.286 590 T C 0.083 174.582 174.700 -0.334 0.000 0.973 590 T CA -0.582 61.320 62.100 -0.330 0.000 1.035 590 T CB 1.132 69.782 68.868 -0.363 0.000 0.932 590 T HN -0.030 nan 8.240 nan 0.000 0.469 591 V N 3.465 123.268 119.914 -0.183 0.000 2.864 591 V HA 0.615 4.735 4.120 -0.001 0.000 0.314 591 V C -0.453 175.668 176.094 0.045 0.000 1.073 591 V CA -0.757 61.489 62.300 -0.090 0.000 0.956 591 V CB 2.314 34.089 31.823 -0.080 0.000 1.023 591 V HN 0.682 nan 8.190 nan 0.000 0.435 592 V N 2.572 122.530 119.914 0.073 0.000 2.487 592 V HA 0.411 4.530 4.120 -0.001 0.000 0.298 592 V C -0.329 175.828 176.094 0.105 0.000 1.028 592 V CA -0.783 61.581 62.300 0.107 0.000 0.860 592 V CB 1.655 33.512 31.823 0.057 0.000 0.991 592 V HN 0.911 nan 8.190 nan 0.000 0.427 593 Q N 2.749 122.589 119.800 0.066 0.000 2.297 593 Q HA 0.283 4.623 4.340 -0.001 0.000 0.267 593 Q C 0.923 176.905 176.000 -0.031 0.000 1.006 593 Q CA 0.796 56.560 55.803 -0.065 0.000 0.896 593 Q CB 1.393 29.936 28.738 -0.325 0.000 1.186 593 Q HN 0.996 nan 8.270 nan 0.000 0.392 594 T N 0.047 114.592 114.554 -0.015 0.000 2.985 594 T HA 0.394 4.743 4.350 -0.001 0.000 0.254 594 T C 0.114 174.810 174.700 -0.007 0.000 1.021 594 T CA -0.236 61.865 62.100 0.003 0.000 0.957 594 T CB 0.375 69.258 68.868 0.025 0.000 1.047 594 T HN 0.327 nan 8.240 nan 0.000 0.511 595 K N 1.419 121.805 120.400 -0.024 0.000 2.426 595 K HA 0.517 4.837 4.320 -0.001 0.000 0.251 595 K C -1.221 175.340 176.600 -0.066 0.000 0.941 595 K CA -0.737 55.537 56.287 -0.021 0.000 0.808 595 K CB 1.372 33.878 32.500 0.010 0.000 1.265 595 K HN -0.046 nan 8.250 nan 0.000 0.432 596 N N 2.012 120.681 118.700 -0.051 0.000 2.497 596 N HA 0.009 4.749 4.740 -0.001 0.000 0.268 596 N C -1.128 174.241 175.510 -0.234 0.000 1.171 596 N CA 0.229 53.189 53.050 -0.151 0.000 0.948 596 N CB 0.812 39.226 38.487 -0.122 0.000 1.069 596 N HN 0.476 nan 8.380 nan 0.000 0.460 597 D N 2.208 122.351 120.400 -0.428 0.000 2.446 597 D HA 0.142 4.781 4.640 -0.001 0.000 0.251 597 D C 0.097 176.142 176.300 -0.426 0.000 1.137 597 D CA -0.494 53.322 54.000 -0.307 0.000 0.890 597 D CB 0.177 40.815 40.800 -0.269 0.000 1.071 597 D HN 0.330 nan 8.370 nan 0.000 0.528 598 Y N 2.333 122.604 120.300 -0.049 0.000 2.373 598 Y HA -0.075 4.475 4.550 -0.001 0.000 0.293 598 Y C 1.926 177.813 175.900 -0.021 0.000 1.129 598 Y CA 0.586 58.694 58.100 0.015 0.000 1.226 598 Y CB -0.166 38.360 38.460 0.111 0.000 1.000 598 Y HN 0.342 nan 8.280 nan 0.000 0.549 599 N N 0.618 119.379 118.700 0.101 0.000 2.013 599 N HA -0.197 4.542 4.740 -0.001 0.000 0.195 599 N C 1.106 176.617 175.510 0.001 0.000 1.051 599 N CA 2.052 55.136 53.050 0.056 0.000 0.851 599 N CB -0.543 37.969 38.487 0.041 0.000 1.044 599 N HN 0.369 nan 8.380 nan 0.000 0.422 600 N N 0.348 119.009 118.700 -0.064 0.000 2.422 600 N HA 0.083 4.822 4.740 -0.001 0.000 0.181 600 N C -0.754 174.647 175.510 -0.181 0.000 1.080 600 N CA 0.175 53.173 53.050 -0.086 0.000 0.893 600 N CB 0.264 38.709 38.487 -0.071 0.000 0.973 600 N HN 0.211 nan 8.380 nan 0.000 0.456 601 E N -0.163 119.841 120.200 -0.327 0.000 2.358 601 E HA -0.181 4.168 4.350 -0.001 0.000 0.246 601 E C -1.019 175.003 176.600 -0.962 0.000 1.127 601 E CA 0.235 56.264 56.400 -0.619 0.000 0.726 601 E CB -1.618 27.985 29.700 -0.162 0.000 1.272 601 E HN 0.448 nan 8.360 nan 0.000 0.390 602 I N 1.119 121.067 120.570 -1.036 0.000 2.355 602 I HA 0.384 4.553 4.170 -0.001 0.000 0.288 602 I C 0.201 175.719 176.117 -0.998 0.000 0.999 602 I CA -0.587 60.175 61.300 -0.897 0.000 1.163 602 I CB 0.574 38.063 38.000 -0.852 0.000 1.316 602 I HN -0.066 nan 8.210 nan 0.000 0.454 603 F N 3.168 122.943 119.950 -0.290 0.000 2.483 603 F HA 0.355 4.881 4.527 -0.001 0.000 0.329 603 F C 0.932 176.614 175.800 -0.197 0.000 1.064 603 F CA -1.029 56.823 58.000 -0.247 0.000 0.986 603 F CB 0.560 39.447 39.000 -0.188 0.000 1.218 603 F HN 0.418 nan 8.300 nan 0.000 0.484 604 N N 1.324 120.050 118.700 0.044 0.000 2.132 604 N HA 0.085 4.825 4.740 -0.001 0.000 0.280 604 N C 0.762 176.287 175.510 0.024 0.000 1.318 604 N CA 1.455 54.509 53.050 0.008 0.000 0.822 604 N CB 0.366 38.865 38.487 0.020 0.000 1.058 604 N HN 0.867 nan 8.380 nan 0.000 0.489 605 G N 1.586 110.393 108.800 0.012 0.000 2.179 605 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.220 605 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.220 605 G C -0.005 174.918 174.900 0.038 0.000 0.990 605 G CA 0.272 45.394 45.100 0.036 0.000 0.646 605 G HN 0.727 nan 8.290 nan 0.000 0.517 606 T N 2.095 116.650 114.554 0.001 0.000 2.771 606 T HA 0.594 4.943 4.350 -0.001 0.000 0.291 606 T C 0.699 175.480 174.700 0.134 0.000 0.954 606 T CA -0.221 61.894 62.100 0.024 0.000 1.045 606 T CB 1.516 70.326 68.868 -0.096 0.000 0.917 606 T HN 0.302 nan 8.240 nan 0.000 0.484 607 L N 2.767 124.092 121.223 0.170 0.000 2.371 607 L HA 0.662 5.002 4.340 -0.001 0.000 0.272 607 L C 0.962 177.994 176.870 0.270 0.000 1.124 607 L CA -0.317 54.635 54.840 0.187 0.000 0.816 607 L CB 0.833 42.959 42.059 0.112 0.000 1.129 607 L HN 0.759 nan 8.230 nan 0.000 0.448 608 G N 2.903 111.783 108.800 0.134 0.000 2.680 608 G HA2 0.633 4.592 3.960 -0.001 0.000 0.290 608 G HA3 0.633 4.592 3.960 -0.001 0.000 0.290 608 G C -1.504 173.249 174.900 -0.245 0.000 1.355 608 G CA -0.515 44.465 45.100 -0.200 0.000 0.903 608 G HN 0.302 nan 8.290 nan 0.000 0.474 609 M N 1.617 121.037 119.600 -0.301 0.000 2.197 609 M HA 0.349 4.829 4.480 -0.001 0.000 0.301 609 M C -0.493 175.667 176.300 -0.233 0.000 0.987 609 M CA -0.720 54.458 55.300 -0.203 0.000 0.921 609 M CB 1.507 34.033 32.600 -0.124 0.000 1.569 609 M HN 0.216 nan 8.290 nan 0.000 0.431 610 V N 6.474 126.276 119.914 -0.187 0.000 2.450 610 V HA 0.007 4.126 4.120 -0.001 0.000 0.281 610 V C 1.494 177.521 176.094 -0.113 0.000 1.019 610 V CA 0.276 62.480 62.300 -0.160 0.000 1.062 610 V CB 0.103 31.857 31.823 -0.115 0.000 0.979 610 V HN 0.860 nan 8.190 nan 0.000 0.477 611 L N 4.388 125.543 121.223 -0.113 0.000 2.068 611 L HA 0.119 4.458 4.340 -0.001 0.000 0.204 611 L C 1.061 177.898 176.870 -0.056 0.000 1.076 611 L CA 1.153 55.947 54.840 -0.076 0.000 0.753 611 L CB -0.097 41.918 42.059 -0.073 0.000 0.910 611 L HN 0.772 nan 8.230 nan 0.000 0.439 612 K N -0.719 119.647 120.400 -0.057 0.000 2.587 612 K HA 0.650 4.970 4.320 -0.001 0.000 0.276 612 K C -1.684 174.892 176.600 -0.041 0.000 0.956 612 K CA -0.753 55.510 56.287 -0.041 0.000 0.857 612 K CB 2.121 34.602 32.500 -0.031 0.000 1.431 612 K HN -0.177 nan 8.250 nan 0.000 0.420 613 A N 2.560 125.361 122.820 -0.032 0.000 2.363 613 A HA 0.434 4.753 4.320 -0.001 0.000 0.296 613 A C -1.282 176.290 177.584 -0.021 0.000 1.237 613 A CA -0.662 51.358 52.037 -0.029 0.000 0.773 613 A CB 0.566 19.547 19.000 -0.031 0.000 1.153 613 A HN 0.722 nan 8.150 nan 0.000 0.473 614 E N 2.226 122.416 120.200 -0.017 0.000 2.186 614 E HA 0.519 4.868 4.350 -0.001 0.000 0.255 614 E C 0.895 177.491 176.600 -0.007 0.000 0.881 614 E CA -0.209 56.184 56.400 -0.011 0.000 0.752 614 E CB 1.534 31.228 29.700 -0.009 0.000 1.176 614 E HN 1.238 nan 8.360 nan 0.000 0.421 615 G N 3.608 112.405 108.800 -0.005 0.000 2.889 615 G HA2 -0.413 3.546 3.960 -0.001 0.000 0.308 615 G HA3 -0.413 3.546 3.960 -0.001 0.000 0.308 615 G C 0.623 175.523 174.900 -0.000 0.000 1.248 615 G CA 0.260 45.360 45.100 -0.000 0.000 0.982 615 G HN 0.827 nan 8.290 nan 0.000 0.571 616 A N -0.272 122.550 122.820 0.003 0.000 2.594 616 A HA 0.713 5.033 4.320 -0.001 0.000 0.292 616 A C 0.535 178.122 177.584 0.005 0.000 1.026 616 A CA 1.157 53.198 52.037 0.006 0.000 0.983 616 A CB 0.412 19.423 19.000 0.019 0.000 1.233 616 A HN 1.087 nan 8.150 nan 0.000 0.519 617 R N 0.465 120.964 120.500 -0.002 0.000 2.352 617 R HA 0.553 4.892 4.340 -0.001 0.000 0.304 617 R C -1.516 174.776 176.300 -0.014 0.000 1.104 617 R CA -0.408 55.691 56.100 -0.002 0.000 0.991 617 R CB 0.346 30.646 30.300 -0.000 0.000 1.140 617 R HN 0.189 nan 8.270 nan 0.000 0.540 618 L N 4.133 125.345 121.223 -0.018 0.000 2.259 618 L HA 0.439 4.778 4.340 -0.001 0.000 0.288 618 L C -0.511 176.336 176.870 -0.038 0.000 1.051 618 L CA 0.171 54.990 54.840 -0.034 0.000 0.824 618 L CB 1.421 43.454 42.059 -0.043 0.000 1.206 618 L HN 0.719 nan 8.230 nan 0.000 0.429 619 T N 4.466 118.991 114.554 -0.048 0.000 2.744 619 T HA 0.664 5.013 4.350 -0.001 0.000 0.291 619 T C -0.363 174.270 174.700 -0.112 0.000 0.957 619 T CA -0.449 61.617 62.100 -0.056 0.000 1.002 619 T CB 0.470 69.314 68.868 -0.040 0.000 0.919 619 T HN 0.329 nan 8.240 nan 0.000 0.468 620 V N 4.014 123.827 119.914 -0.168 0.000 2.815 620 V HA 0.535 4.654 4.120 -0.001 0.000 0.314 620 V C -0.294 175.575 176.094 -0.376 0.000 1.064 620 V CA -1.037 61.051 62.300 -0.353 0.000 0.952 620 V CB 2.003 33.433 31.823 -0.656 0.000 1.020 620 V HN 0.936 nan 8.190 nan 0.000 0.439 621 D N 1.746 121.905 120.400 -0.403 0.000 2.454 621 D HA 0.355 4.995 4.640 -0.001 0.000 0.225 621 D C -1.132 174.986 176.300 -0.303 0.000 1.081 621 D CA -0.363 53.487 54.000 -0.250 0.000 0.864 621 D CB 0.538 41.254 40.800 -0.140 0.000 1.040 621 D HN 0.243 nan 8.370 nan 0.000 0.517 622 F N 2.507 122.439 119.950 -0.029 0.000 2.351 622 F HA 0.210 4.736 4.527 -0.001 0.000 0.362 622 F C 0.611 176.401 175.800 -0.017 0.000 1.131 622 F CA -0.876 57.107 58.000 -0.029 0.000 1.187 622 F CB 0.198 39.171 39.000 -0.045 0.000 1.434 622 F HN 0.292 nan 8.300 nan 0.000 0.553 623 D N 2.513 122.993 120.400 0.134 0.000 2.735 623 D HA -0.119 4.520 4.640 -0.001 0.000 0.235 623 D C 1.197 177.538 176.300 0.068 0.000 1.175 623 D CA 1.674 55.726 54.000 0.087 0.000 0.683 623 D CB -0.737 40.119 40.800 0.094 0.000 1.008 623 D HN 0.954 nan 8.370 nan 0.000 0.416 624 G N 1.057 109.884 108.800 0.045 0.000 2.320 624 G HA2 -0.423 3.536 3.960 -0.001 0.000 0.242 624 G HA3 -0.423 3.536 3.960 -0.001 0.000 0.242 624 G C 0.402 175.327 174.900 0.042 0.000 1.033 624 G CA 0.223 45.343 45.100 0.034 0.000 0.620 624 G HN 0.676 nan 8.290 nan 0.000 0.517 625 N N 0.944 119.687 118.700 0.072 0.000 2.807 625 N HA 0.392 5.131 4.740 -0.001 0.000 0.259 625 N C 0.454 176.015 175.510 0.085 0.000 1.149 625 N CA -0.347 52.751 53.050 0.079 0.000 1.042 625 N CB 0.224 38.768 38.487 0.095 0.000 1.367 625 N HN 0.170 nan 8.380 nan 0.000 0.516 626 V N 2.829 122.765 119.914 0.037 0.000 2.655 626 V HA 0.144 4.263 4.120 -0.001 0.000 0.300 626 V C 0.421 176.533 176.094 0.030 0.000 1.044 626 V CA 0.096 62.401 62.300 0.008 0.000 1.095 626 V CB 1.078 32.896 31.823 -0.008 0.000 0.952 626 V HN 0.313 nan 8.190 nan 0.000 0.485 627 V N 4.229 124.157 119.914 0.024 0.000 3.147 627 V HA 0.492 4.611 4.120 -0.001 0.000 0.299 627 V C -0.972 175.137 176.094 0.026 0.000 1.302 627 V CA -0.607 61.722 62.300 0.048 0.000 1.015 627 V CB 2.661 34.553 31.823 0.115 0.000 1.086 627 V HN 0.989 nan 8.190 nan 0.000 0.437 628 E N 3.760 123.977 120.200 0.027 0.000 2.166 628 E HA 0.595 4.944 4.350 -0.001 0.000 0.275 628 E C -1.678 174.941 176.600 0.032 0.000 0.941 628 E CA -0.677 55.733 56.400 0.017 0.000 0.784 628 E CB 1.993 31.700 29.700 0.011 0.000 1.115 628 E HN 0.339 nan 8.360 nan 0.000 0.399 629 L N 2.266 123.507 121.223 0.029 0.000 2.346 629 L HA 0.526 4.865 4.340 -0.001 0.000 0.274 629 L C -0.092 176.795 176.870 0.028 0.000 1.007 629 L CA -0.463 54.401 54.840 0.039 0.000 0.818 629 L CB 1.872 43.963 42.059 0.053 0.000 1.284 629 L HN 0.624 nan 8.230 nan 0.000 0.424 630 T N -1.064 113.514 114.554 0.040 0.000 2.932 630 T HA 0.756 5.105 4.350 -0.001 0.000 0.318 630 T C 0.146 174.889 174.700 0.071 0.000 1.265 630 T CA -0.276 61.850 62.100 0.043 0.000 1.036 630 T CB 1.630 70.520 68.868 0.036 0.000 1.209 630 T HN 1.179 nan 8.240 nan 0.000 0.484 631 G N 1.809 110.664 108.800 0.091 0.000 2.556 631 G HA2 -0.014 3.946 3.960 -0.001 0.000 0.283 631 G HA3 -0.014 3.946 3.960 -0.001 0.000 0.283 631 G C 1.301 176.344 174.900 0.239 0.000 1.177 631 G CA 1.150 46.336 45.100 0.142 0.000 0.978 631 G HN 1.906 nan 8.290 nan 0.000 0.554 632 A N 0.409 123.343 122.820 0.191 0.000 1.917 632 A HA -0.040 4.279 4.320 -0.001 0.000 0.219 632 A C 2.227 179.974 177.584 0.271 0.000 1.182 632 A CA 2.799 54.966 52.037 0.217 0.000 0.633 632 A CB -0.832 18.220 19.000 0.087 0.000 0.819 632 A HN 1.408 nan 8.150 nan 0.000 0.448 633 E N 0.111 120.408 120.200 0.162 0.000 2.401 633 E HA -0.104 4.245 4.350 -0.001 0.000 0.199 633 E C 1.551 178.218 176.600 0.112 0.000 1.023 633 E CA 0.823 57.295 56.400 0.119 0.000 0.859 633 E CB -0.469 29.272 29.700 0.069 0.000 0.780 633 E HN 0.638 nan 8.360 nan 0.000 0.523 634 L N -0.173 121.121 121.223 0.118 0.000 2.376 634 L HA -0.020 4.320 4.340 -0.001 0.000 0.219 634 L C 1.055 177.793 176.870 -0.221 0.000 1.133 634 L CA 0.544 55.347 54.840 -0.062 0.000 0.816 634 L CB -0.086 41.879 42.059 -0.157 0.000 0.933 634 L HN 0.111 nan 8.230 nan 0.000 0.449 635 F N -1.029 118.936 119.950 0.024 0.000 2.645 635 F HA 0.094 4.620 4.527 -0.001 0.000 0.300 635 F C 1.408 177.218 175.800 0.017 0.000 1.115 635 F CA 0.115 58.129 58.000 0.022 0.000 1.355 635 F CB -0.610 38.401 39.000 0.019 0.000 1.026 635 F HN 0.083 nan 8.300 nan 0.000 0.536 636 N N 0.453 119.220 118.700 0.112 0.000 2.270 636 N HA 0.177 4.917 4.740 -0.001 0.000 0.198 636 N C -0.863 174.666 175.510 0.031 0.000 1.117 636 N CA 0.032 53.118 53.050 0.060 0.000 0.845 636 N CB 0.516 39.015 38.487 0.019 0.000 0.980 636 N HN 0.053 nan 8.380 nan 0.000 0.486 637 L N -2.043 119.199 121.223 0.031 0.000 2.465 637 L HA 0.561 4.900 4.340 -0.001 0.000 0.257 637 L C -1.056 175.822 176.870 0.012 0.000 0.988 637 L CA -1.099 53.764 54.840 0.040 0.000 0.827 637 L CB 1.434 43.554 42.059 0.102 0.000 1.397 637 L HN -0.194 nan 8.230 nan 0.000 0.410 638 Q N 0.758 120.570 119.800 0.019 0.000 2.528 638 Q HA 0.666 5.005 4.340 -0.001 0.000 0.289 638 Q C -1.251 174.739 176.000 -0.017 0.000 1.091 638 Q CA -1.256 54.552 55.803 0.008 0.000 0.797 638 Q CB 2.508 31.263 28.738 0.028 0.000 1.466 638 Q HN 0.433 nan 8.270 nan 0.000 0.436 639 L N 0.666 121.875 121.223 -0.023 0.000 2.483 639 L HA 0.166 4.505 4.340 -0.001 0.000 0.276 639 L C 1.173 177.966 176.870 -0.128 0.000 1.213 639 L CA 1.094 55.875 54.840 -0.099 0.000 0.843 639 L CB 0.028 42.085 42.059 -0.004 0.000 1.107 639 L HN 0.979 nan 8.230 nan 0.000 0.487 640 G N 1.328 109.947 108.800 -0.301 0.000 4.044 640 G HA2 0.133 4.092 3.960 -0.001 0.000 0.297 640 G HA3 0.133 4.092 3.960 -0.001 0.000 0.297 640 G C 0.708 175.481 174.900 -0.213 0.000 1.101 640 G CA -0.119 44.862 45.100 -0.197 0.000 0.884 640 G HN 0.652 nan 8.290 nan 0.000 0.538 641 Y N 0.546 120.841 120.300 -0.010 0.000 2.314 641 Y HA 0.367 4.916 4.550 -0.001 0.000 0.294 641 Y C 1.848 177.711 175.900 -0.062 0.000 1.119 641 Y CA 0.595 58.668 58.100 -0.045 0.000 1.179 641 Y CB 0.435 38.882 38.460 -0.022 0.000 1.025 641 Y HN 0.301 nan 8.280 nan 0.000 0.541 642 A N 0.422 123.313 122.820 0.119 0.000 2.356 642 A HA 0.727 5.047 4.320 -0.001 0.000 0.323 642 A C -1.329 176.272 177.584 0.029 0.000 1.119 642 A CA -0.553 51.515 52.037 0.052 0.000 0.790 642 A CB 1.302 20.353 19.000 0.086 0.000 1.273 642 A HN 0.227 nan 8.150 nan 0.000 0.452 643 L N 0.596 121.822 121.223 0.005 0.000 2.424 643 L HA 0.589 4.928 4.340 -0.001 0.000 0.258 643 L C 0.242 177.140 176.870 0.047 0.000 0.995 643 L CA -0.674 54.186 54.840 0.034 0.000 0.821 643 L CB 2.703 44.785 42.059 0.038 0.000 1.383 643 L HN 0.976 nan 8.230 nan 0.000 0.410 644 T N -0.774 113.826 114.554 0.076 0.000 2.904 644 T HA 0.241 4.591 4.350 -0.001 0.000 0.290 644 T C 1.189 175.957 174.700 0.114 0.000 1.018 644 T CA -0.762 61.390 62.100 0.086 0.000 1.075 644 T CB 1.548 70.477 68.868 0.101 0.000 0.986 644 T HN 0.309 nan 8.240 nan 0.000 0.523 645 V N 1.552 121.528 119.914 0.104 0.000 2.407 645 V HA -0.180 3.939 4.120 -0.001 0.000 0.248 645 V C 2.503 178.641 176.094 0.073 0.000 1.055 645 V CA 1.963 64.315 62.300 0.087 0.000 1.049 645 V CB -1.304 30.537 31.823 0.031 0.000 0.662 645 V HN 0.967 nan 8.190 nan 0.000 0.455 646 H N 0.121 119.222 119.070 0.050 0.000 2.353 646 H HA -0.081 4.474 4.556 -0.001 0.000 0.298 646 H C 2.368 177.735 175.328 0.065 0.000 1.103 646 H CA 1.644 57.722 56.048 0.050 0.000 1.293 646 H CB -0.065 29.718 29.762 0.036 0.000 1.372 646 H HN 0.251 nan 8.280 nan 0.000 0.501 647 R N -0.234 120.379 120.500 0.188 0.000 2.317 647 R HA 0.238 4.577 4.340 -0.001 0.000 0.208 647 R C 1.625 178.027 176.300 0.170 0.000 0.914 647 R CA 0.512 56.703 56.100 0.151 0.000 1.060 647 R CB 0.525 30.906 30.300 0.134 0.000 1.015 647 R HN 0.256 nan 8.270 nan 0.000 0.498 648 A N 0.664 123.600 122.820 0.194 0.000 2.030 648 A HA -0.041 4.278 4.320 -0.001 0.000 0.215 648 A C 1.111 178.802 177.584 0.179 0.000 1.164 648 A CA -0.053 52.167 52.037 0.305 0.000 0.697 648 A CB 0.053 19.266 19.000 0.355 0.000 0.827 648 A HN 0.245 nan 8.150 nan 0.000 0.457 649 Q N -0.348 119.507 119.800 0.092 0.000 2.247 649 Q HA 0.320 4.659 4.340 -0.001 0.000 0.288 649 Q C 1.001 177.006 176.000 0.008 0.000 1.079 649 Q CA 1.022 56.843 55.803 0.029 0.000 0.932 649 Q CB -0.042 28.693 28.738 -0.006 0.000 1.133 649 Q HN 0.838 nan 8.270 nan 0.000 0.377 650 G N 2.389 111.170 108.800 -0.030 0.000 2.253 650 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.209 650 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.209 650 G C -0.083 174.738 174.900 -0.132 0.000 0.997 650 G CA 0.017 45.081 45.100 -0.061 0.000 0.640 650 G HN 0.621 nan 8.290 nan 0.000 0.496 651 S N 0.365 115.945 115.700 -0.200 0.000 2.704 651 S HA 0.747 5.217 4.470 -0.001 0.000 0.305 651 S C -0.306 173.931 174.600 -0.606 0.000 1.107 651 S CA -0.052 57.852 58.200 -0.494 0.000 0.993 651 S CB 1.886 64.644 63.200 -0.737 0.000 1.110 651 S HN 0.814 nan 8.310 nan 0.000 0.534 652 E N 0.087 119.765 120.200 -0.870 0.000 2.413 652 E HA 0.558 4.907 4.350 -0.001 0.000 0.277 652 E C -1.769 174.448 176.600 -0.638 0.000 0.958 652 E CA -0.972 55.131 56.400 -0.495 0.000 0.779 652 E CB 1.540 31.120 29.700 -0.200 0.000 1.278 652 E HN 0.570 nan 8.360 nan 0.000 0.456 653 W N 0.112 121.448 121.300 0.060 0.000 3.118 653 W HA 0.383 5.042 4.660 -0.001 0.000 0.328 653 W C 0.810 177.373 176.519 0.072 0.000 1.239 653 W CA -0.677 56.706 57.345 0.062 0.000 1.176 653 W CB 1.859 31.361 29.460 0.071 0.000 1.433 653 W HN 0.895 nan 8.180 nan 0.000 0.562 654 G N 0.597 109.575 108.800 0.295 0.000 2.433 654 G HA2 -0.100 3.859 3.960 -0.001 0.000 0.216 654 G HA3 -0.100 3.859 3.960 -0.001 0.000 0.216 654 G C 0.512 175.543 174.900 0.218 0.000 1.186 654 G CA 1.782 47.002 45.100 0.201 0.000 0.779 654 G HN 0.325 nan 8.290 nan 0.000 0.543 655 T N -1.645 113.049 114.554 0.234 0.000 2.848 655 T HA 0.606 4.956 4.350 -0.001 0.000 0.285 655 T C -1.154 173.667 174.700 0.202 0.000 0.995 655 T CA -0.773 61.469 62.100 0.237 0.000 0.970 655 T CB 2.197 71.228 68.868 0.271 0.000 0.976 655 T HN 0.074 nan 8.240 nan 0.000 0.441 656 V N 4.576 124.616 119.914 0.210 0.000 2.628 656 V HA 0.707 4.827 4.120 -0.001 0.000 0.306 656 V C -0.779 175.271 176.094 -0.074 0.000 1.045 656 V CA -0.976 61.388 62.300 0.107 0.000 0.905 656 V CB 1.714 33.740 31.823 0.339 0.000 0.997 656 V HN 0.912 nan 8.190 nan 0.000 0.436 657 L N 4.121 125.266 121.223 -0.130 0.000 2.353 657 L HA 0.813 5.152 4.340 -0.001 0.000 0.270 657 L C 0.231 177.020 176.870 -0.134 0.000 1.003 657 L CA -0.030 54.701 54.840 -0.182 0.000 0.862 657 L CB 0.916 42.910 42.059 -0.108 0.000 1.221 657 L HN 0.691 nan 8.230 nan 0.000 0.430 658 G N 4.435 113.131 108.800 -0.173 0.000 2.319 658 G HA2 0.515 4.474 3.960 -0.001 0.000 0.308 658 G HA3 0.515 4.474 3.960 -0.001 0.000 0.308 658 G C -0.897 174.114 174.900 0.185 0.000 1.117 658 G CA -0.434 44.759 45.100 0.154 0.000 0.903 658 G HN 0.405 nan 8.290 nan 0.000 0.436 659 V N 3.828 123.823 119.914 0.136 0.000 2.389 659 V HA 0.326 4.445 4.120 -0.001 0.000 0.264 659 V C -0.086 176.144 176.094 0.227 0.000 1.049 659 V CA -0.402 62.005 62.300 0.177 0.000 0.932 659 V CB 0.760 32.682 31.823 0.166 0.000 1.011 659 V HN 0.564 nan 8.190 nan 0.000 0.475 660 L N 5.764 127.158 121.223 0.285 0.000 2.409 660 L HA 0.710 5.050 4.340 -0.001 0.000 0.272 660 L C -0.712 176.358 176.870 0.334 0.000 0.980 660 L CA 0.109 55.097 54.840 0.246 0.000 0.826 660 L CB 1.547 43.510 42.059 -0.160 0.000 1.268 660 L HN 0.780 nan 8.230 nan 0.000 0.407 661 H N 2.028 121.255 119.070 0.261 0.000 3.014 661 H HA 0.239 4.795 4.556 -0.001 0.000 0.337 661 H C -0.119 175.183 175.328 -0.042 0.000 1.320 661 H CA -0.424 55.642 56.048 0.030 0.000 1.128 661 H CB 1.845 31.567 29.762 -0.068 0.000 1.862 661 H HN 0.624 nan 8.280 nan 0.000 0.536 662 E N 1.908 121.806 120.200 -0.502 0.000 2.273 662 E HA -0.088 4.261 4.350 -0.001 0.000 0.198 662 E C 1.693 178.311 176.600 0.029 0.000 1.002 662 E CA 1.423 57.704 56.400 -0.199 0.000 0.828 662 E CB -0.102 29.430 29.700 -0.280 0.000 0.747 662 E HN 0.532 nan 8.360 nan 0.000 0.491 663 A N 0.149 123.095 122.820 0.209 0.000 2.216 663 A HA -0.131 4.188 4.320 -0.001 0.000 0.214 663 A C 0.896 178.417 177.584 -0.105 0.000 1.160 663 A CA 0.891 52.920 52.037 -0.014 0.000 0.725 663 A CB -0.307 18.603 19.000 -0.150 0.000 0.784 663 A HN 0.245 nan 8.150 nan 0.000 0.472 664 H N -1.640 117.488 119.070 0.097 0.000 2.542 664 H HA 0.183 4.738 4.556 -0.001 0.000 0.283 664 H C 1.558 176.900 175.328 0.023 0.000 1.059 664 H CA -0.127 55.950 56.048 0.049 0.000 1.162 664 H CB -0.019 29.764 29.762 0.034 0.000 1.539 664 H HN 0.260 nan 8.280 nan 0.000 0.543 665 M N 1.492 121.153 119.600 0.102 0.000 2.240 665 M HA -0.193 4.287 4.480 -0.001 0.000 0.250 665 M C -0.630 175.703 176.300 0.054 0.000 1.075 665 M CA 2.067 57.401 55.300 0.057 0.000 1.072 665 M CB -1.766 30.856 32.600 0.036 0.000 1.305 665 M HN 0.263 nan 8.290 nan 0.000 0.414 666 P HA -0.123 nan 4.420 nan 0.000 0.222 666 P C 1.135 178.462 177.300 0.045 0.000 1.147 666 P CA 1.249 64.379 63.100 0.049 0.000 0.790 666 P CB -0.195 31.535 31.700 0.050 0.000 0.780 667 M N -1.014 118.620 119.600 0.057 0.000 2.419 667 M HA 0.186 4.666 4.480 -0.001 0.000 0.252 667 M C 0.702 177.010 176.300 0.014 0.000 1.143 667 M CA -0.123 55.203 55.300 0.043 0.000 0.985 667 M CB -0.201 32.423 32.600 0.040 0.000 1.489 667 M HN -0.075 nan 8.290 nan 0.000 0.484 668 L N 2.185 123.415 121.223 0.012 0.000 2.384 668 L HA 0.153 4.492 4.340 -0.001 0.000 0.258 668 L C 0.555 177.410 176.870 -0.025 0.000 1.266 668 L CA -0.331 54.494 54.840 -0.024 0.000 1.162 668 L CB -0.731 41.318 42.059 -0.017 0.000 1.375 668 L HN 0.198 nan 8.230 nan 0.000 0.420 669 S N 0.475 116.158 115.700 -0.029 0.000 2.607 669 S HA 0.435 4.904 4.470 -0.001 0.000 0.303 669 S C 0.842 175.425 174.600 -0.028 0.000 1.086 669 S CA -0.942 57.245 58.200 -0.022 0.000 0.995 669 S CB 2.537 65.731 63.200 -0.011 0.000 1.084 669 S HN 0.550 nan 8.310 nan 0.000 0.507 670 R N 1.418 121.904 120.500 -0.024 0.000 2.080 670 R HA -0.131 4.208 4.340 -0.001 0.000 0.236 670 R C 1.716 178.016 176.300 -0.001 0.000 1.137 670 R CA 2.109 58.198 56.100 -0.018 0.000 0.943 670 R CB -0.742 29.527 30.300 -0.051 0.000 0.846 670 R HN 0.849 nan 8.270 nan 0.000 0.431 671 N N 0.928 119.616 118.700 -0.020 0.000 2.149 671 N HA -0.191 4.549 4.740 -0.001 0.000 0.188 671 N C 1.811 177.346 175.510 0.042 0.000 1.019 671 N CA 1.008 54.069 53.050 0.018 0.000 0.857 671 N CB -0.182 38.295 38.487 -0.017 0.000 0.997 671 N HN 0.211 nan 8.380 nan 0.000 0.426 672 L N 2.336 123.552 121.223 -0.012 0.000 1.970 672 L HA -0.128 4.211 4.340 -0.001 0.000 0.212 672 L C 2.440 179.291 176.870 -0.031 0.000 1.071 672 L CA 1.865 56.678 54.840 -0.044 0.000 0.751 672 L CB -1.214 40.817 42.059 -0.045 0.000 0.889 672 L HN 0.067 nan 8.230 nan 0.000 0.432 673 V N -2.366 117.519 119.914 -0.048 0.000 2.515 673 V HA -0.274 3.846 4.120 -0.001 0.000 0.250 673 V C 2.497 178.654 176.094 0.105 0.000 1.058 673 V CA 1.553 63.810 62.300 -0.071 0.000 1.064 673 V CB -1.746 29.939 31.823 -0.231 0.000 0.675 673 V HN 0.512 nan 8.190 nan 0.000 0.461 674 Y N 2.362 122.651 120.300 -0.017 0.000 2.224 674 Y HA -0.134 4.416 4.550 -0.001 0.000 0.289 674 Y C 2.567 178.442 175.900 -0.041 0.000 1.146 674 Y CA 2.271 60.355 58.100 -0.027 0.000 1.182 674 Y CB -0.679 37.750 38.460 -0.052 0.000 0.983 674 Y HN 0.260 nan 8.280 nan 0.000 0.524 675 T N 0.539 115.097 114.554 0.007 0.000 2.812 675 T HA -0.106 4.243 4.350 -0.001 0.000 0.264 675 T C 2.130 176.803 174.700 -0.045 0.000 1.042 675 T CA 1.337 63.393 62.100 -0.073 0.000 1.140 675 T CB -0.702 68.150 68.868 -0.027 0.000 0.870 675 T HN 0.466 nan 8.240 nan 0.000 0.445 676 A N 1.616 124.444 122.820 0.012 0.000 1.858 676 A HA -0.020 4.300 4.320 -0.001 0.000 0.216 676 A C 2.241 179.849 177.584 0.040 0.000 1.190 676 A CA 1.402 53.506 52.037 0.112 0.000 0.617 676 A CB -0.910 18.193 19.000 0.172 0.000 0.827 676 A HN 0.411 nan 8.150 nan 0.000 0.443 677 L N 0.791 121.893 121.223 -0.202 0.000 2.042 677 L HA -0.133 4.207 4.340 -0.001 0.000 0.210 677 L C 2.391 179.041 176.870 -0.367 0.000 1.076 677 L CA 2.999 57.436 54.840 -0.672 0.000 0.749 677 L CB -1.141 40.640 42.059 -0.464 0.000 0.893 677 L HN 0.528 nan 8.230 nan 0.000 0.432 678 T N -3.857 110.531 114.554 -0.276 0.000 3.215 678 T HA 0.022 4.371 4.350 -0.001 0.000 0.254 678 T C 1.649 176.309 174.700 -0.066 0.000 1.149 678 T CA -0.052 61.912 62.100 -0.227 0.000 1.042 678 T CB -0.441 68.176 68.868 -0.419 0.000 0.966 678 T HN 0.233 nan 8.240 nan 0.000 0.534 679 R N 1.314 121.852 120.500 0.063 0.000 2.275 679 R HA 0.411 4.751 4.340 -0.001 0.000 0.199 679 R C 1.064 177.525 176.300 0.269 0.000 0.989 679 R CA 0.242 56.464 56.100 0.203 0.000 1.016 679 R CB -0.770 29.791 30.300 0.436 0.000 0.918 679 R HN 0.582 nan 8.270 nan 0.000 0.473 680 A N 0.907 123.872 122.820 0.242 0.000 2.328 680 A HA 0.329 4.649 4.320 -0.001 0.000 0.284 680 A C 0.973 178.646 177.584 0.147 0.000 1.160 680 A CA -0.379 51.814 52.037 0.260 0.000 0.818 680 A CB 0.879 20.081 19.000 0.337 0.000 1.087 680 A HN 0.086 nan 8.150 nan 0.000 0.504 681 R N 0.459 121.048 120.500 0.147 0.000 2.090 681 R HA -0.003 4.336 4.340 -0.001 0.000 0.219 681 R C 0.261 176.611 176.300 0.083 0.000 1.100 681 R CA 1.413 57.569 56.100 0.094 0.000 0.991 681 R CB 0.215 30.567 30.300 0.087 0.000 0.893 681 R HN 0.844 nan 8.270 nan 0.000 0.443 682 D N -0.707 119.755 120.400 0.103 0.000 2.995 682 D HA 0.110 4.749 4.640 -0.001 0.000 0.289 682 D C 0.262 176.597 176.300 0.059 0.000 1.116 682 D CA 0.502 54.548 54.000 0.078 0.000 0.994 682 D CB 0.696 41.548 40.800 0.087 0.000 1.209 682 D HN -0.030 nan 8.370 nan 0.000 0.458 683 R N -0.215 120.334 120.500 0.081 0.000 2.686 683 R HA 0.499 4.839 4.340 -0.001 0.000 0.283 683 R C -1.461 174.857 176.300 0.030 0.000 0.978 683 R CA -0.682 55.399 56.100 -0.032 0.000 0.897 683 R CB 2.364 32.619 30.300 -0.075 0.000 1.192 683 R HN -0.056 nan 8.270 nan 0.000 0.457 684 F N 3.606 123.416 119.950 -0.233 0.000 2.500 684 F HA 0.475 5.001 4.527 -0.001 0.000 0.349 684 F C -1.556 174.166 175.800 -0.129 0.000 1.127 684 F CA -0.841 57.126 58.000 -0.056 0.000 0.998 684 F CB 0.672 39.694 39.000 0.037 0.000 1.237 684 F HN 0.355 nan 8.300 nan 0.000 0.439 685 F N 3.362 123.026 119.950 -0.477 0.000 2.422 685 F HA 0.557 5.084 4.527 -0.001 0.000 0.333 685 F C 0.480 175.909 175.800 -0.618 0.000 1.095 685 F CA -0.692 57.094 58.000 -0.357 0.000 1.038 685 F CB 1.852 40.727 39.000 -0.208 0.000 1.156 685 F HN 0.372 nan 8.300 nan 0.000 0.483 686 S N 1.541 117.102 115.700 -0.232 0.000 2.532 686 S HA 0.885 5.355 4.470 -0.001 0.000 0.301 686 S C -1.040 173.495 174.600 -0.108 0.000 1.083 686 S CA -0.518 57.583 58.200 -0.165 0.000 1.025 686 S CB 1.259 64.353 63.200 -0.177 0.000 1.056 686 S HN 0.832 nan 8.310 nan 0.000 0.494 687 A N 2.540 125.369 122.820 0.016 0.000 2.357 687 A HA 0.864 5.183 4.320 -0.001 0.000 0.295 687 A C 0.506 178.151 177.584 0.102 0.000 1.121 687 A CA 0.074 52.120 52.037 0.015 0.000 0.742 687 A CB 0.597 19.595 19.000 -0.003 0.000 1.181 687 A HN 1.614 nan 8.150 nan 0.000 0.454 688 G N 0.785 109.645 108.800 0.100 0.000 2.198 688 G HA2 0.514 4.473 3.960 -0.001 0.000 0.057 688 G HA3 0.514 4.473 3.960 -0.001 0.000 0.057 688 G C -0.153 174.873 174.900 0.210 0.000 0.803 688 G CA 0.618 45.846 45.100 0.213 0.000 1.140 688 G HN 2.125 nan 8.290 nan 0.000 0.405 689 S N -0.484 115.337 115.700 0.202 0.000 2.564 689 S HA 0.761 5.230 4.470 -0.001 0.000 0.274 689 S C 0.846 175.562 174.600 0.194 0.000 1.124 689 S CA 0.652 58.923 58.200 0.119 0.000 0.869 689 S CB 1.747 64.950 63.200 0.006 0.000 1.105 689 S HN 2.044 nan 8.310 nan 0.000 0.472 690 A N 1.875 124.774 122.820 0.133 0.000 2.014 690 A HA 0.079 4.398 4.320 -0.001 0.000 0.218 690 A C 2.208 179.982 177.584 0.316 0.000 1.163 690 A CA 1.542 53.725 52.037 0.244 0.000 0.652 690 A CB -1.279 17.825 19.000 0.173 0.000 0.808 690 A HN 1.437 nan 8.150 nan 0.000 0.449 691 S N 0.389 116.196 115.700 0.179 0.000 2.383 691 S HA 0.024 4.493 4.470 -0.001 0.000 0.227 691 S C 2.101 176.781 174.600 0.134 0.000 1.026 691 S CA 1.168 59.447 58.200 0.133 0.000 0.981 691 S CB -0.692 62.538 63.200 0.050 0.000 0.818 691 S HN 0.838 nan 8.310 nan 0.000 0.472 692 A N 1.094 123.978 122.820 0.107 0.000 1.917 692 A HA -0.069 4.250 4.320 -0.001 0.000 0.219 692 A C 1.894 179.523 177.584 0.073 0.000 1.182 692 A CA 1.529 53.588 52.037 0.036 0.000 0.633 692 A CB -1.386 17.607 19.000 -0.012 0.000 0.819 692 A HN 0.743 nan 8.150 nan 0.000 0.448 693 W N -0.228 121.169 121.300 0.161 0.000 2.381 693 W HA -0.116 4.544 4.660 -0.001 0.000 0.301 693 W C 2.689 179.297 176.519 0.149 0.000 1.205 693 W CA 1.502 58.974 57.345 0.212 0.000 1.285 693 W CB -0.551 29.139 29.460 0.384 0.000 1.133 693 W HN 0.424 nan 8.180 nan 0.000 0.521 694 Q N 0.080 120.090 119.800 0.351 0.000 2.061 694 Q HA -0.226 4.114 4.340 -0.001 0.000 0.204 694 Q C 2.101 178.182 176.000 0.136 0.000 0.984 694 Q CA 2.196 58.126 55.803 0.212 0.000 0.846 694 Q CB -0.658 28.179 28.738 0.164 0.000 0.902 694 Q HN 0.342 nan 8.270 nan 0.000 0.421 695 I N 0.436 121.068 120.570 0.103 0.000 2.127 695 I HA -0.326 3.844 4.170 -0.001 0.000 0.241 695 I C 2.442 178.582 176.117 0.038 0.000 1.075 695 I CA 1.076 62.407 61.300 0.053 0.000 1.334 695 I CB -0.543 37.472 38.000 0.026 0.000 1.040 695 I HN 0.217 nan 8.210 nan 0.000 0.405 696 A N 0.815 123.652 122.820 0.027 0.000 1.883 696 A HA -0.200 4.120 4.320 -0.001 0.000 0.217 696 A C 2.559 180.160 177.584 0.029 0.000 1.186 696 A CA 2.065 54.098 52.037 -0.008 0.000 0.624 696 A CB -0.954 17.984 19.000 -0.102 0.000 0.822 696 A HN 0.454 nan 8.150 nan 0.000 0.444 697 A N -0.294 122.579 122.820 0.088 0.000 1.908 697 A HA 0.139 4.458 4.320 -0.001 0.000 0.218 697 A C 2.450 180.061 177.584 0.046 0.000 1.181 697 A CA 2.163 54.253 52.037 0.088 0.000 0.627 697 A CB -0.938 18.146 19.000 0.141 0.000 0.818 697 A HN 1.133 nan 8.150 nan 0.000 0.445 698 A N -1.108 121.741 122.820 0.048 0.000 2.066 698 A HA 0.031 4.351 4.320 -0.001 0.000 0.218 698 A C 1.627 179.217 177.584 0.010 0.000 1.157 698 A CA 0.639 52.694 52.037 0.029 0.000 0.670 698 A CB -0.198 18.823 19.000 0.035 0.000 0.804 698 A HN 0.416 nan 8.150 nan 0.000 0.453 699 R N 1.174 121.678 120.500 0.006 0.000 2.204 699 R HA 0.207 4.546 4.340 -0.001 0.000 0.341 699 R C -0.548 175.740 176.300 -0.019 0.000 1.035 699 R CA -0.198 55.898 56.100 -0.006 0.000 0.887 699 R CB 0.161 30.459 30.300 -0.003 0.000 1.114 699 R HN 0.489 nan 8.270 nan 0.000 0.473 700 Q N 5.227 125.011 119.800 -0.027 0.000 2.314 700 Q HA 0.199 4.539 4.340 -0.001 0.000 0.259 700 Q C -0.653 175.324 176.000 -0.038 0.000 0.951 700 Q CA -0.678 55.099 55.803 -0.042 0.000 0.909 700 Q CB 1.018 29.724 28.738 -0.052 0.000 1.236 700 Q HN 0.528 nan 8.270 nan 0.000 0.444 701 R N 2.400 122.876 120.500 -0.040 0.000 2.638 701 R HA -0.047 4.293 4.340 -0.001 0.000 0.268 701 R C 0.129 176.397 176.300 -0.052 0.000 1.006 701 R CA 0.342 56.416 56.100 -0.043 0.000 1.088 701 R CB 0.257 30.529 30.300 -0.046 0.000 0.950 701 R HN 0.652 nan 8.270 nan 0.000 0.419 702 E N 1.921 122.090 120.200 -0.052 0.000 2.415 702 E HA 0.177 4.527 4.350 -0.001 0.000 0.262 702 E C -0.407 176.154 176.600 -0.064 0.000 1.038 702 E CA -0.526 55.849 56.400 -0.042 0.000 0.921 702 E CB 0.526 30.221 29.700 -0.009 0.000 0.950 702 E HN 0.561 nan 8.360 nan 0.000 0.438 703 A N 3.638 126.437 122.820 -0.035 0.000 2.520 703 A HA 0.016 4.335 4.320 -0.001 0.000 0.235 703 A C 0.083 177.637 177.584 -0.049 0.000 1.065 703 A CA -0.023 51.990 52.037 -0.040 0.000 0.764 703 A CB 0.137 19.127 19.000 -0.018 0.000 1.002 703 A HN 0.641 nan 8.150 nan 0.000 0.502 704 R N 2.043 122.491 120.500 -0.087 0.000 2.254 704 R HA 0.135 4.474 4.340 -0.001 0.000 0.318 704 R C -0.619 175.652 176.300 -0.050 0.000 1.031 704 R CA -0.234 55.789 56.100 -0.128 0.000 0.905 704 R CB 0.580 30.788 30.300 -0.153 0.000 1.050 704 R HN 0.830 nan 8.270 nan 0.000 0.456 705 N N 1.699 120.414 118.700 0.024 0.000 2.434 705 N HA 0.006 4.745 4.740 -0.001 0.000 0.268 705 N C -0.868 174.374 175.510 -0.447 0.000 1.256 705 N CA 0.688 53.426 53.050 -0.520 0.000 0.914 705 N CB 0.591 38.241 38.487 -1.394 0.000 1.088 705 N HN 0.427 nan 8.380 nan 0.000 0.478 706 T N 0.634 115.148 114.554 -0.067 0.000 3.041 706 T HA 0.436 4.785 4.350 -0.001 0.000 0.321 706 T C 0.081 174.985 174.700 0.339 0.000 1.184 706 T CA -0.657 61.547 62.100 0.174 0.000 1.050 706 T CB 1.812 70.730 68.868 0.083 0.000 1.159 706 T HN 0.469 nan 8.240 nan 0.000 0.469 707 A N 1.921 124.971 122.820 0.384 0.000 2.535 707 A HA 0.384 4.703 4.320 -0.001 0.000 0.273 707 A C 1.619 179.290 177.584 0.145 0.000 1.267 707 A CA -0.162 52.023 52.037 0.248 0.000 0.940 707 A CB -0.307 18.821 19.000 0.213 0.000 1.101 707 A HN 0.656 nan 8.150 nan 0.000 0.521 708 L N -0.123 121.180 121.223 0.133 0.000 1.989 708 L HA -0.142 4.197 4.340 -0.001 0.000 0.211 708 L C 2.112 179.014 176.870 0.052 0.000 1.071 708 L CA 1.893 56.782 54.840 0.081 0.000 0.749 708 L CB -0.358 41.742 42.059 0.070 0.000 0.890 708 L HN 0.428 nan 8.230 nan 0.000 0.431 709 L N -0.394 120.860 121.223 0.050 0.000 2.012 709 L HA -0.243 4.096 4.340 -0.001 0.000 0.210 709 L C 2.398 179.284 176.870 0.027 0.000 1.073 709 L CA 2.124 56.983 54.840 0.031 0.000 0.748 709 L CB -0.862 41.215 42.059 0.029 0.000 0.891 709 L HN 0.499 nan 8.230 nan 0.000 0.431 710 E N -0.411 119.812 120.200 0.038 0.000 2.085 710 E HA -0.251 4.098 4.350 -0.001 0.000 0.194 710 E C 2.189 178.799 176.600 0.015 0.000 0.994 710 E CA 1.324 57.739 56.400 0.026 0.000 0.801 710 E CB -0.085 29.634 29.700 0.032 0.000 0.743 710 E HN 0.522 nan 8.360 nan 0.000 0.453 711 R N 0.349 120.860 120.500 0.019 0.000 2.092 711 R HA -0.067 4.272 4.340 -0.001 0.000 0.231 711 R C 2.426 178.727 176.300 0.002 0.000 1.119 711 R CA 0.937 57.041 56.100 0.006 0.000 0.970 711 R CB -0.233 30.071 30.300 0.006 0.000 0.864 711 R HN 0.204 nan 8.270 nan 0.000 0.440 712 I N 0.288 120.862 120.570 0.007 0.000 2.179 712 I HA -0.280 3.889 4.170 -0.001 0.000 0.242 712 I C 2.432 178.548 176.117 -0.002 0.000 1.088 712 I CA 1.462 62.763 61.300 0.001 0.000 1.357 712 I CB -0.189 37.812 38.000 0.002 0.000 1.051 712 I HN 0.135 nan 8.210 nan 0.000 0.409 713 R N 0.734 121.235 120.500 0.000 0.000 2.062 713 R HA 0.096 4.435 4.340 -0.001 0.000 0.226 713 R C 1.358 177.656 176.300 -0.003 0.000 1.125 713 R CA 0.736 56.835 56.100 -0.002 0.000 0.966 713 R CB -0.267 30.033 30.300 -0.000 0.000 0.861 713 R HN 0.289 nan 8.270 nan 0.000 0.433 714 A N 0.000 122.818 122.820 -0.003 0.000 2.254 714 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 714 A CA 0.000 52.033 52.037 -0.006 0.000 0.836 714 A CB 0.000 18.995 19.000 -0.008 0.000 0.831 714 A HN 0.000 nan 8.150 nan 0.000 0.486