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 1naa_1_B DATA FIRST_RESID 215 DATA SEQUENCE TPYDYIIVGA GPGGIIAADR LSEAGKKVLL LERGGPSTKQ TGGTYVAPWA DATA SEQUENCE TSSGLTKFDI PGLFESLFTD SNPFWWcKDI TVFAGcLVGG GTSVNGALYW DATA SEQUENCE YPNDGDFSSS VGWPSSWTNH APYTSKLSSR LPSTDHPSTD GQRYLEQSFN DATA SEQUENCE VVSQLLKGQG YNQATINDNP NYKDHVFGYS AFDFLNGKRA GPVATYLQTA DATA SEQUENCE LARPNFTFKT NVMVSNVVRN GSQILGVQTN DPTLGPNGFI PVTPKGRVIL DATA SEQUENCE SAGAFGTSRI LFQSGIGPTD MIQTVQSNPT AAAALPPQNQ WINLPVGMNA DATA SEQUENCE QDNPSINLVF THPSIDAYEN WADVWSNPRP ADAAQYLANQ SGVFAGASPK DATA SEQUENCE LNFWRAYSGS DGFTRYAQGT VRPGAASVNS SLPYNASQIF TITVYLSTGI DATA SEQUENCE QSRGRIGIDA ALRGTVLTPP WLVNPVDKTV LLQALHDVVS NIGSIPGLTM DATA SEQUENCE ITPDVTQTLE EYVDAYDPAT MNSNHWVSST TIGSSPQSAV VDSNVKVFGT DATA SEQUENCE NNLFIVDAGI IPHLPTGNPQ GTLMSAAEQA AAKILALAGG P 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 215 T HA 0.000 nan 4.350 nan 0.000 0.228 215 T C 0.000 174.538 174.700 -0.270 0.000 1.109 215 T CA 0.000 61.982 62.100 -0.196 0.000 1.349 215 T CB 0.000 68.712 68.868 -0.261 0.000 0.612 216 P HA 0.611 nan 4.420 nan 0.000 0.282 216 P C -1.486 175.572 177.300 -0.403 0.000 1.249 216 P CA -0.497 62.476 63.100 -0.212 0.000 0.806 216 P CB 0.771 32.401 31.700 -0.116 0.000 0.984 217 Y N -0.181 120.093 120.300 -0.044 0.000 2.499 217 Y HA 0.213 4.762 4.550 -0.002 0.000 0.347 217 Y C 1.525 177.405 175.900 -0.032 0.000 0.987 217 Y CA -0.486 57.605 58.100 -0.016 0.000 1.044 217 Y CB 1.232 39.691 38.460 -0.000 0.000 1.245 217 Y HN 0.247 nan 8.280 nan 0.000 0.461 218 D N 0.708 121.188 120.400 0.134 0.000 2.117 218 D HA -0.144 4.495 4.640 -0.002 0.000 0.198 218 D C -0.536 175.631 176.300 -0.222 0.000 0.982 218 D CA 1.930 55.918 54.000 -0.020 0.000 0.828 218 D CB 0.063 40.914 40.800 0.084 0.000 0.967 218 D HN 0.403 nan 8.370 nan 0.000 0.464 219 Y N -0.546 119.834 120.300 0.132 0.000 2.373 219 Y HA 0.431 4.980 4.550 -0.002 0.000 0.336 219 Y C -0.123 175.821 175.900 0.073 0.000 0.979 219 Y CA -0.693 57.462 58.100 0.091 0.000 1.080 219 Y CB 1.873 40.369 38.460 0.059 0.000 1.190 219 Y HN -0.296 nan 8.280 nan 0.000 0.446 220 I N 5.527 126.188 120.570 0.151 0.000 2.330 220 I HA 0.404 4.573 4.170 -0.002 0.000 0.289 220 I C -0.693 175.481 176.117 0.095 0.000 1.001 220 I CA -0.436 60.891 61.300 0.045 0.000 1.193 220 I CB 0.924 38.920 38.000 -0.007 0.000 1.345 220 I HN 0.454 nan 8.210 nan 0.000 0.461 221 I N 6.932 127.552 120.570 0.083 0.000 2.362 221 I HA 0.311 4.480 4.170 -0.002 0.000 0.289 221 I C -0.396 175.767 176.117 0.078 0.000 0.994 221 I CA -0.869 60.490 61.300 0.100 0.000 1.158 221 I CB 1.885 39.951 38.000 0.110 0.000 1.315 221 I HN 0.184 nan 8.210 nan 0.000 0.451 222 V N 5.403 125.361 119.914 0.074 0.000 2.304 222 V HA 0.756 4.875 4.120 -0.002 0.000 0.269 222 V C 0.439 176.578 176.094 0.074 0.000 1.036 222 V CA -0.452 61.886 62.300 0.064 0.000 0.840 222 V CB 0.470 32.323 31.823 0.049 0.000 1.036 222 V HN 1.072 nan 8.190 nan 0.000 0.466 223 G N 3.968 112.824 108.800 0.095 0.000 3.400 223 G HA2 0.301 4.260 3.960 -0.002 0.000 0.679 223 G HA3 0.301 4.260 3.960 -0.002 0.000 0.679 223 G C -0.249 174.719 174.900 0.113 0.000 1.239 223 G CA -0.379 44.783 45.100 0.102 0.000 1.049 223 G HN 1.312 nan 8.290 nan 0.000 0.539 224 A N 1.772 124.680 122.820 0.147 0.000 3.258 224 A HA 0.755 5.074 4.320 -0.002 0.000 0.275 224 A C 1.340 178.975 177.584 0.085 0.000 1.452 224 A CA 1.021 53.132 52.037 0.124 0.000 1.120 224 A CB -0.299 18.842 19.000 0.235 0.000 1.107 224 A HN 1.984 nan 8.150 nan 0.000 0.651 225 G N 0.216 109.061 108.800 0.074 0.000 2.531 225 G HA2 0.477 4.436 3.960 -0.002 0.000 0.281 225 G HA3 0.477 4.436 3.960 -0.002 0.000 0.281 225 G C -1.027 173.891 174.900 0.029 0.000 1.382 225 G CA -0.930 44.211 45.100 0.069 0.000 1.045 225 G HN 0.173 nan 8.290 nan 0.000 0.533 226 P HA -0.085 nan 4.420 nan 0.000 0.216 226 P C 1.950 179.220 177.300 -0.051 0.000 1.153 226 P CA 1.820 64.912 63.100 -0.013 0.000 0.848 226 P CB -0.183 31.535 31.700 0.030 0.000 0.787 227 G N 0.196 108.997 108.800 0.001 0.000 2.421 227 G HA2 -0.208 3.751 3.960 -0.002 0.000 0.216 227 G HA3 -0.208 3.751 3.960 -0.002 0.000 0.216 227 G C 1.904 176.786 174.900 -0.030 0.000 1.171 227 G CA 1.064 46.163 45.100 -0.002 0.000 0.775 227 G HN 0.391 nan 8.290 nan 0.000 0.543 228 G N 0.728 109.524 108.800 -0.006 0.000 2.408 228 G HA2 -0.088 3.871 3.960 -0.002 0.000 0.217 228 G HA3 -0.088 3.871 3.960 -0.002 0.000 0.217 228 G C 1.778 176.649 174.900 -0.049 0.000 1.150 228 G CA 0.656 45.755 45.100 -0.002 0.000 0.776 228 G HN 0.435 nan 8.290 nan 0.000 0.542 229 I N 0.392 120.911 120.570 -0.085 0.000 2.252 229 I HA -0.096 4.073 4.170 -0.002 0.000 0.245 229 I C 2.612 178.605 176.117 -0.206 0.000 1.102 229 I CA 0.724 61.937 61.300 -0.145 0.000 1.385 229 I CB -0.133 37.789 38.000 -0.130 0.000 1.064 229 I HN 0.146 nan 8.210 nan 0.000 0.414 230 I N 0.675 121.068 120.570 -0.294 0.000 2.202 230 I HA -0.268 3.901 4.170 -0.002 0.000 0.242 230 I C 2.826 178.802 176.117 -0.235 0.000 1.091 230 I CA 1.290 62.318 61.300 -0.453 0.000 1.368 230 I CB -0.455 37.181 38.000 -0.607 0.000 1.058 230 I HN 0.165 nan 8.210 nan 0.000 0.410 231 A N 0.841 123.560 122.820 -0.168 0.000 1.883 231 A HA -0.239 4.080 4.320 -0.002 0.000 0.217 231 A C 2.535 180.027 177.584 -0.153 0.000 1.186 231 A CA 2.123 54.074 52.037 -0.144 0.000 0.624 231 A CB -0.961 17.980 19.000 -0.099 0.000 0.822 231 A HN 0.447 nan 8.150 nan 0.000 0.444 232 A N -0.364 122.382 122.820 -0.122 0.000 1.933 232 A HA -0.191 4.128 4.320 -0.002 0.000 0.218 232 A C 1.847 179.286 177.584 -0.241 0.000 1.175 232 A CA 2.237 54.210 52.037 -0.107 0.000 0.628 232 A CB -0.668 18.314 19.000 -0.030 0.000 0.814 232 A HN 0.583 nan 8.150 nan 0.000 0.444 233 D N -0.970 119.283 120.400 -0.244 0.000 2.097 233 D HA -0.131 4.508 4.640 -0.002 0.000 0.197 233 D C 2.164 178.395 176.300 -0.116 0.000 0.984 233 D CA 1.046 54.925 54.000 -0.201 0.000 0.826 233 D CB -0.026 40.764 40.800 -0.016 0.000 0.973 233 D HN 0.136 nan 8.370 nan 0.000 0.460 234 R N -0.066 120.385 120.500 -0.082 0.000 2.096 234 R HA -0.007 4.332 4.340 -0.002 0.000 0.235 234 R C 2.468 178.696 176.300 -0.121 0.000 1.127 234 R CA 0.538 56.593 56.100 -0.075 0.000 0.968 234 R CB -0.899 29.364 30.300 -0.063 0.000 0.861 234 R HN 0.362 nan 8.270 nan 0.000 0.440 235 L N 0.712 121.827 121.223 -0.179 0.000 2.131 235 L HA -0.082 4.257 4.340 -0.002 0.000 0.206 235 L C 2.439 179.247 176.870 -0.104 0.000 1.087 235 L CA 1.322 56.022 54.840 -0.234 0.000 0.767 235 L CB -0.421 41.348 42.059 -0.483 0.000 0.917 235 L HN 0.211 nan 8.230 nan 0.000 0.441 236 S N -0.880 114.780 115.700 -0.067 0.000 2.406 236 S HA -0.228 4.241 4.470 -0.002 0.000 0.228 236 S C 1.827 176.419 174.600 -0.015 0.000 1.020 236 S CA 1.104 59.307 58.200 0.005 0.000 0.965 236 S CB -0.310 62.895 63.200 0.007 0.000 0.798 236 S HN 0.472 nan 8.310 nan 0.000 0.488 237 E N 1.669 121.838 120.200 -0.052 0.000 2.153 237 E HA -0.053 4.296 4.350 -0.002 0.000 0.194 237 E C 1.824 178.410 176.600 -0.024 0.000 0.988 237 E CA 0.920 57.296 56.400 -0.040 0.000 0.811 237 E CB -0.381 29.290 29.700 -0.049 0.000 0.746 237 E HN 0.713 nan 8.360 nan 0.000 0.466 238 A N -0.150 122.652 122.820 -0.029 0.000 2.235 238 A HA 0.215 4.533 4.320 -0.002 0.000 0.208 238 A C 1.602 179.193 177.584 0.012 0.000 1.172 238 A CA 0.935 52.962 52.037 -0.016 0.000 0.786 238 A CB -0.386 18.594 19.000 -0.033 0.000 0.804 238 A HN 0.466 nan 8.150 nan 0.000 0.479 239 G N -0.857 107.957 108.800 0.024 0.000 2.157 239 G HA2 -0.208 3.751 3.960 -0.002 0.000 0.239 239 G HA3 -0.208 3.751 3.960 -0.002 0.000 0.239 239 G C 0.066 175.012 174.900 0.077 0.000 0.982 239 G CA 0.235 45.363 45.100 0.046 0.000 0.650 239 G HN 0.401 nan 8.290 nan 0.000 0.527 240 K N 0.455 120.914 120.400 0.099 0.000 2.185 240 K HA 0.356 4.675 4.320 -0.002 0.000 0.271 240 K C 0.426 177.144 176.600 0.196 0.000 1.013 240 K CA -0.663 55.725 56.287 0.169 0.000 0.943 240 K CB 1.236 33.888 32.500 0.254 0.000 0.998 240 K HN 0.323 nan 8.250 nan 0.000 0.468 241 K N 2.069 122.592 120.400 0.205 0.000 2.315 241 K HA 0.154 4.473 4.320 -0.002 0.000 0.291 241 K C -0.930 175.880 176.600 0.349 0.000 1.074 241 K CA -0.231 56.191 56.287 0.225 0.000 0.936 241 K CB 0.242 32.819 32.500 0.127 0.000 1.049 241 K HN 0.216 nan 8.250 nan 0.000 0.471 242 V N 5.822 125.953 119.914 0.362 0.000 2.495 242 V HA 0.358 4.477 4.120 -0.002 0.000 0.298 242 V C -0.866 175.327 176.094 0.164 0.000 1.031 242 V CA -1.088 61.418 62.300 0.343 0.000 0.871 242 V CB 1.503 33.553 31.823 0.379 0.000 0.988 242 V HN 0.614 nan 8.190 nan 0.000 0.432 243 L N 5.909 127.084 121.223 -0.080 0.000 2.305 243 L HA 0.703 5.042 4.340 -0.002 0.000 0.284 243 L C -1.005 175.774 176.870 -0.152 0.000 1.013 243 L CA -0.327 54.255 54.840 -0.430 0.000 0.819 243 L CB 1.408 42.803 42.059 -1.106 0.000 1.227 243 L HN 0.623 nan 8.230 nan 0.000 0.417 244 L N 6.126 127.298 121.223 -0.086 0.000 2.305 244 L HA 0.608 4.947 4.340 -0.002 0.000 0.284 244 L C -1.341 175.642 176.870 0.189 0.000 1.013 244 L CA -0.134 54.799 54.840 0.155 0.000 0.819 244 L CB 1.274 43.540 42.059 0.345 0.000 1.227 244 L HN 0.590 nan 8.230 nan 0.000 0.417 245 L N 3.994 125.288 121.223 0.118 0.000 2.325 245 L HA 0.686 5.025 4.340 -0.002 0.000 0.278 245 L C -0.694 176.254 176.870 0.129 0.000 1.023 245 L CA -0.696 54.179 54.840 0.059 0.000 0.811 245 L CB 1.924 43.974 42.059 -0.015 0.000 1.249 245 L HN 0.589 nan 8.230 nan 0.000 0.431 246 E N 1.298 121.537 120.200 0.065 0.000 2.274 246 E HA 0.263 4.612 4.350 -0.002 0.000 0.269 246 E C 0.230 176.836 176.600 0.009 0.000 0.891 246 E CA -0.721 55.734 56.400 0.091 0.000 0.784 246 E CB 1.342 31.154 29.700 0.188 0.000 1.225 246 E HN 0.523 nan 8.360 nan 0.000 0.412 247 R N 2.532 123.050 120.500 0.032 0.000 2.115 247 R HA 0.162 4.501 4.340 -0.002 0.000 0.230 247 R C 0.966 177.273 176.300 0.011 0.000 1.111 247 R CA 1.000 57.110 56.100 0.016 0.000 0.976 247 R CB -0.176 30.144 30.300 0.033 0.000 0.870 247 R HN 0.314 nan 8.270 nan 0.000 0.445 248 G N -0.134 108.684 108.800 0.029 0.000 2.532 248 G HA2 0.496 4.455 3.960 -0.002 0.000 0.291 248 G HA3 0.496 4.455 3.960 -0.002 0.000 0.291 248 G C -0.447 174.453 174.900 -0.000 0.000 1.349 248 G CA -0.401 44.717 45.100 0.030 0.000 1.038 248 G HN 0.331 nan 8.290 nan 0.000 0.518 249 G N -1.313 107.493 108.800 0.011 0.000 2.753 249 G HA2 0.646 4.605 3.960 -0.002 0.000 0.285 249 G HA3 0.646 4.605 3.960 -0.002 0.000 0.285 249 G C -2.719 172.181 174.900 0.001 0.000 1.344 249 G CA -1.181 43.909 45.100 -0.017 0.000 1.050 249 G HN 0.494 nan 8.290 nan 0.000 0.532 250 P HA 0.120 nan 4.420 nan 0.000 0.270 250 P C 0.316 177.608 177.300 -0.012 0.000 1.227 250 P CA 0.150 63.262 63.100 0.020 0.000 0.788 250 P CB 1.257 32.980 31.700 0.037 0.000 0.926 251 S N -0.906 114.759 115.700 -0.059 0.000 3.248 251 S HA 0.207 4.676 4.470 -0.002 0.000 0.173 251 S C 0.509 175.140 174.600 0.051 0.000 0.749 251 S CA 0.133 58.165 58.200 -0.279 0.000 0.898 251 S CB -1.015 61.946 63.200 -0.399 0.000 1.027 251 S HN 0.522 nan 8.310 nan 0.000 0.781 252 T N 0.114 114.712 114.554 0.072 0.000 2.766 252 T HA 0.370 4.719 4.350 -0.002 0.000 0.295 252 T C 0.912 175.682 174.700 0.116 0.000 1.024 252 T CA -0.307 61.881 62.100 0.148 0.000 1.018 252 T CB 0.690 69.615 68.868 0.096 0.000 1.002 252 T HN 0.515 nan 8.240 nan 0.000 0.532 253 K N 0.606 121.065 120.400 0.097 0.000 2.059 253 K HA -0.289 4.030 4.320 -0.002 0.000 0.212 253 K C 2.448 179.082 176.600 0.057 0.000 1.050 253 K CA 2.252 58.579 56.287 0.066 0.000 0.927 253 K CB -0.331 32.190 32.500 0.036 0.000 0.714 253 K HN 0.879 nan 8.250 nan 0.000 0.447 254 Q N -0.328 119.504 119.800 0.053 0.000 2.364 254 Q HA -0.096 4.243 4.340 -0.002 0.000 0.207 254 Q C 1.299 177.341 176.000 0.069 0.000 0.970 254 Q CA 1.650 57.483 55.803 0.051 0.000 0.888 254 Q CB -0.232 28.531 28.738 0.042 0.000 0.951 254 Q HN 0.350 nan 8.270 nan 0.000 0.469 255 T N -4.053 110.549 114.554 0.080 0.000 3.129 255 T HA 0.389 4.738 4.350 -0.002 0.000 0.251 255 T C 1.251 175.999 174.700 0.081 0.000 1.117 255 T CA 0.399 62.560 62.100 0.102 0.000 1.034 255 T CB 0.502 69.440 68.868 0.115 0.000 0.968 255 T HN 0.597 nan 8.240 nan 0.000 0.526 256 G N 0.313 109.153 108.800 0.067 0.000 2.148 256 G HA2 -0.018 3.941 3.960 -0.002 0.000 0.203 256 G HA3 -0.018 3.941 3.960 -0.002 0.000 0.203 256 G C 0.359 175.297 174.900 0.062 0.000 0.993 256 G CA -0.358 44.773 45.100 0.051 0.000 0.661 256 G HN 0.972 nan 8.290 nan 0.000 0.518 257 G N 0.016 108.870 108.800 0.091 0.000 2.406 257 G HA2 0.552 4.511 3.960 -0.002 0.000 0.251 257 G HA3 0.552 4.511 3.960 -0.002 0.000 0.251 257 G C 0.907 175.895 174.900 0.146 0.000 1.271 257 G CA 1.050 46.237 45.100 0.145 0.000 0.859 257 G HN 1.275 nan 8.290 nan 0.000 0.540 258 T N -1.130 113.528 114.554 0.173 0.000 3.231 258 T HA 0.118 4.467 4.350 -0.002 0.000 0.292 258 T C -0.059 174.783 174.700 0.235 0.000 1.001 258 T CA -0.365 61.822 62.100 0.145 0.000 0.920 258 T CB -0.114 68.806 68.868 0.088 0.000 1.140 258 T HN 0.339 nan 8.240 nan 0.000 0.525 259 Y N 2.819 123.235 120.300 0.193 0.000 2.636 259 Y HA 0.567 5.116 4.550 -0.002 0.000 0.341 259 Y C -0.717 175.318 175.900 0.225 0.000 1.169 259 Y CA -1.658 56.601 58.100 0.266 0.000 1.498 259 Y CB -0.297 38.440 38.460 0.460 0.000 1.362 259 Y HN 0.090 nan 8.280 nan 0.000 0.494 260 V N 5.050 124.914 119.914 -0.083 0.000 2.495 260 V HA 0.654 4.773 4.120 -0.002 0.000 0.298 260 V C 0.291 175.973 176.094 -0.686 0.000 1.031 260 V CA -1.176 60.941 62.300 -0.305 0.000 0.871 260 V CB 1.204 32.886 31.823 -0.234 0.000 0.988 260 V HN 0.824 nan 8.190 nan 0.000 0.432 261 A N 6.193 128.269 122.820 -1.240 0.000 2.520 261 A HA 0.378 4.697 4.320 -0.002 0.000 0.235 261 A C -1.384 175.534 177.584 -1.110 0.000 1.065 261 A CA -0.614 50.259 52.037 -1.941 0.000 0.764 261 A CB -0.150 17.631 19.000 -2.031 0.000 1.002 261 A HN 0.736 nan 8.150 nan 0.000 0.502 262 P HA -0.141 nan 4.420 nan 0.000 0.220 262 P C 1.356 178.489 177.300 -0.278 0.000 1.148 262 P CA 1.576 64.427 63.100 -0.416 0.000 0.803 262 P CB -0.068 31.472 31.700 -0.266 0.000 0.782 263 W N -0.936 120.158 121.300 -0.344 0.000 2.678 263 W HA 0.308 4.967 4.660 -0.002 0.000 0.256 263 W C 0.851 177.233 176.519 -0.228 0.000 1.280 263 W CA 0.686 57.880 57.345 -0.252 0.000 1.345 263 W CB -1.119 28.189 29.460 -0.253 0.000 1.118 263 W HN -0.085 nan 8.180 nan 0.000 0.629 264 A N 1.081 123.519 122.820 -0.637 0.000 2.430 264 A HA 0.181 4.500 4.320 -0.002 0.000 0.243 264 A C 1.706 179.080 177.584 -0.350 0.000 1.254 264 A CA 0.610 52.295 52.037 -0.587 0.000 0.914 264 A CB -0.750 17.616 19.000 -1.057 0.000 0.998 264 A HN 0.120 nan 8.150 nan 0.000 0.515 265 T N 1.258 115.643 114.554 -0.282 0.000 2.653 265 T HA -0.230 4.119 4.350 -0.002 0.000 0.268 265 T C 2.286 176.911 174.700 -0.124 0.000 1.035 265 T CA 2.380 64.366 62.100 -0.190 0.000 1.154 265 T CB -0.347 68.434 68.868 -0.144 0.000 0.862 265 T HN 0.808 nan 8.240 nan 0.000 0.441 266 S N 1.539 117.182 115.700 -0.094 0.000 2.453 266 S HA -0.062 4.407 4.470 -0.002 0.000 0.231 266 S C 2.219 176.781 174.600 -0.063 0.000 1.005 266 S CA 1.081 59.244 58.200 -0.062 0.000 0.949 266 S CB -0.465 62.712 63.200 -0.039 0.000 0.774 266 S HN 0.640 nan 8.310 nan 0.000 0.510 267 S N 0.819 116.470 115.700 -0.082 0.000 2.470 267 S HA 0.361 4.830 4.470 -0.002 0.000 0.225 267 S C 1.851 176.406 174.600 -0.075 0.000 1.006 267 S CA 0.644 58.800 58.200 -0.074 0.000 0.934 267 S CB -0.937 62.216 63.200 -0.078 0.000 0.778 267 S HN 1.396 nan 8.310 nan 0.000 0.517 268 G N 1.101 109.843 108.800 -0.097 0.000 2.175 268 G HA2 -0.253 3.706 3.960 -0.002 0.000 0.265 268 G HA3 -0.253 3.706 3.960 -0.002 0.000 0.265 268 G C -0.023 174.832 174.900 -0.077 0.000 0.979 268 G CA 0.520 45.573 45.100 -0.078 0.000 0.663 268 G HN 0.579 nan 8.290 nan 0.000 0.533 269 L N 2.058 123.214 121.223 -0.111 0.000 2.360 269 L HA 0.421 4.760 4.340 -0.002 0.000 0.276 269 L C 1.596 178.380 176.870 -0.142 0.000 1.121 269 L CA 0.131 54.919 54.840 -0.087 0.000 0.845 269 L CB 0.732 42.761 42.059 -0.050 0.000 1.143 269 L HN 0.416 nan 8.230 nan 0.000 0.452 270 T N -0.818 113.704 114.554 -0.053 0.000 2.810 270 T HA 0.132 4.481 4.350 -0.002 0.000 0.277 270 T C 1.056 175.664 174.700 -0.153 0.000 0.973 270 T CA -0.710 61.366 62.100 -0.040 0.000 0.949 270 T CB 1.154 70.123 68.868 0.168 0.000 1.075 270 T HN 0.604 nan 8.240 nan 0.000 0.537 271 K N -0.609 119.622 120.400 -0.283 0.000 2.152 271 K HA -0.101 4.218 4.320 -0.002 0.000 0.206 271 K C 1.554 177.765 176.600 -0.647 0.000 1.048 271 K CA 1.504 57.474 56.287 -0.527 0.000 0.933 271 K CB -0.380 31.553 32.500 -0.943 0.000 0.721 271 K HN 0.657 nan 8.250 nan 0.000 0.447 272 F N 0.811 120.657 119.950 -0.174 0.000 2.512 272 F HA 0.003 4.529 4.527 -0.002 0.000 0.296 272 F C 1.939 177.665 175.800 -0.124 0.000 1.110 272 F CA 0.459 58.349 58.000 -0.184 0.000 1.446 272 F CB -0.134 38.770 39.000 -0.159 0.000 1.092 272 F HN 0.016 nan 8.300 nan 0.000 0.554 273 D N 0.633 121.053 120.400 0.034 0.000 2.149 273 D HA 0.012 4.651 4.640 -0.002 0.000 0.201 273 D C 0.831 177.078 176.300 -0.088 0.000 0.972 273 D CA 0.984 54.981 54.000 -0.006 0.000 0.835 273 D CB 0.217 41.025 40.800 0.012 0.000 0.966 273 D HN 0.194 nan 8.370 nan 0.000 0.476 274 I N 2.145 122.641 120.570 -0.123 0.000 2.291 274 I HA 0.072 4.241 4.170 -0.002 0.000 0.292 274 I C -1.621 174.375 176.117 -0.202 0.000 1.064 274 I CA -1.816 59.369 61.300 -0.192 0.000 1.269 274 I CB 1.655 39.505 38.000 -0.250 0.000 1.418 274 I HN -0.275 nan 8.210 nan 0.000 0.485 275 P HA -0.180 nan 4.420 nan 0.000 0.216 275 P C 1.622 178.864 177.300 -0.096 0.000 1.154 275 P CA 1.223 64.119 63.100 -0.340 0.000 0.865 275 P CB 0.219 31.523 31.700 -0.660 0.000 0.789 276 G N -0.759 108.040 108.800 -0.002 0.000 2.509 276 G HA2 -0.173 3.786 3.960 -0.002 0.000 0.218 276 G HA3 -0.173 3.786 3.960 -0.002 0.000 0.218 276 G C 1.244 176.327 174.900 0.306 0.000 1.124 276 G CA 0.193 45.380 45.100 0.145 0.000 0.776 276 G HN 0.260 nan 8.290 nan 0.000 0.547 277 L N -0.045 121.338 121.223 0.266 0.000 2.599 277 L HA 0.166 4.505 4.340 -0.002 0.000 0.230 277 L C 2.233 179.119 176.870 0.027 0.000 1.141 277 L CA -0.326 54.644 54.840 0.217 0.000 0.877 277 L CB -0.336 41.801 42.059 0.130 0.000 1.009 277 L HN 0.221 nan 8.230 nan 0.000 0.447 278 F N 1.848 121.722 119.950 -0.127 0.000 2.063 278 F HA -0.303 4.224 4.527 -0.001 0.000 0.298 278 F C 2.419 178.143 175.800 -0.125 0.000 1.109 278 F CA 1.881 59.785 58.000 -0.160 0.000 1.212 278 F CB -0.064 38.874 39.000 -0.103 0.000 0.973 278 F HN 0.087 nan 8.300 nan 0.000 0.480 279 E N 0.195 120.141 120.200 -0.425 0.000 2.204 279 E HA -0.164 4.185 4.350 -0.002 0.000 0.195 279 E C 2.395 178.937 176.600 -0.097 0.000 0.990 279 E CA 1.255 57.439 56.400 -0.361 0.000 0.821 279 E CB -0.681 28.772 29.700 -0.411 0.000 0.750 279 E HN 0.590 nan 8.360 nan 0.000 0.477 280 S N 0.236 115.890 115.700 -0.077 0.000 2.555 280 S HA -0.004 4.465 4.470 -0.002 0.000 0.230 280 S C 1.997 176.468 174.600 -0.217 0.000 0.978 280 S CA 0.154 58.330 58.200 -0.040 0.000 0.934 280 S CB -0.377 62.852 63.200 0.049 0.000 0.766 280 S HN 0.175 nan 8.310 nan 0.000 0.533 281 L N -0.630 120.308 121.223 -0.475 0.000 2.362 281 L HA 0.082 4.421 4.340 -0.002 0.000 0.219 281 L C 1.330 178.027 176.870 -0.289 0.000 1.134 281 L CA 0.985 55.460 54.840 -0.608 0.000 0.807 281 L CB -0.467 40.996 42.059 -0.994 0.000 0.927 281 L HN 0.334 nan 8.230 nan 0.000 0.447 282 F N -1.722 118.289 119.950 0.101 0.000 2.695 282 F HA 0.055 4.582 4.527 -0.001 0.000 0.303 282 F C 1.819 177.724 175.800 0.175 0.000 1.091 282 F CA 0.380 58.499 58.000 0.199 0.000 1.300 282 F CB -0.181 38.842 39.000 0.039 0.000 1.071 282 F HN -0.002 nan 8.300 nan 0.000 0.578 283 T N -4.270 110.429 114.554 0.241 0.000 3.231 283 T HA 0.118 4.467 4.350 -0.002 0.000 0.292 283 T C -0.012 174.757 174.700 0.114 0.000 1.001 283 T CA -0.402 61.808 62.100 0.184 0.000 0.920 283 T CB -0.070 68.906 68.868 0.181 0.000 1.140 283 T HN -0.041 nan 8.240 nan 0.000 0.525 284 D N 2.088 122.545 120.400 0.095 0.000 2.304 284 D HA 0.158 4.797 4.640 -0.002 0.000 0.250 284 D C 1.377 177.693 176.300 0.026 0.000 1.107 284 D CA 0.148 54.167 54.000 0.032 0.000 0.885 284 D CB 2.066 42.920 40.800 0.090 0.000 1.192 284 D HN 0.326 nan 8.370 nan 0.000 0.436 285 S N 2.790 118.511 115.700 0.035 0.000 2.515 285 S HA -0.134 4.335 4.470 -0.002 0.000 0.231 285 S C 0.770 175.363 174.600 -0.011 0.000 0.987 285 S CA 0.217 58.437 58.200 0.034 0.000 0.936 285 S CB 0.043 63.281 63.200 0.063 0.000 0.766 285 S HN 0.483 nan 8.310 nan 0.000 0.528 286 N N 1.730 120.390 118.700 -0.068 0.000 2.697 286 N HA 0.325 5.064 4.740 -0.002 0.000 0.253 286 N C -3.237 172.018 175.510 -0.425 0.000 1.604 286 N CA -1.504 51.464 53.050 -0.137 0.000 0.772 286 N CB 1.311 39.781 38.487 -0.029 0.000 1.267 286 N HN 0.086 nan 8.380 nan 0.000 0.510 287 P HA 0.127 nan 4.420 nan 0.000 0.260 287 P C 0.395 176.781 177.300 -1.524 0.000 1.651 287 P CA -0.457 61.562 63.100 -1.802 0.000 1.139 287 P CB -0.645 30.229 31.700 -1.376 0.000 1.756 288 F N 0.791 120.069 119.950 -1.120 0.000 2.699 288 F HA 0.067 4.593 4.527 -0.002 0.000 0.298 288 F C 1.361 176.968 175.800 -0.322 0.000 1.154 288 F CA -0.660 57.040 58.000 -0.501 0.000 1.457 288 F CB -1.337 37.504 39.000 -0.265 0.000 1.106 288 F HN 0.183 nan 8.300 nan 0.000 0.585 289 W N -0.886 119.997 121.300 -0.696 0.000 2.770 289 W HA 0.266 4.924 4.660 -0.002 0.000 0.256 289 W C 0.114 176.464 176.519 -0.282 0.000 1.291 289 W CA -1.516 55.514 57.345 -0.526 0.000 1.396 289 W CB -1.305 27.702 29.460 -0.755 0.000 1.114 289 W HN -0.108 nan 8.180 nan 0.000 0.637 290 W N 1.136 122.359 121.300 -0.128 0.000 2.261 290 W HA 0.381 5.039 4.660 -0.002 0.000 0.323 290 W C 0.051 176.579 176.519 0.015 0.000 1.243 290 W CA -1.370 55.988 57.345 0.022 0.000 1.210 290 W CB 0.414 29.884 29.460 0.016 0.000 1.149 290 W HN -0.408 nan 8.180 nan 0.000 0.562 291 c N 3.327 122.118 118.600 0.318 0.000 2.638 291 c HA -0.030 4.539 4.570 -0.002 0.000 0.410 291 c C 1.725 175.878 174.090 0.104 0.000 1.404 291 c CA -0.313 56.114 56.329 0.164 0.000 1.651 291 c CB -0.445 42.142 42.510 0.127 0.000 2.495 291 c HN 0.757 nan 8.230 nan 0.000 0.606 292 K N 1.342 121.782 120.400 0.067 0.000 2.486 292 K HA -0.067 4.251 4.320 -0.002 0.000 0.194 292 K C 0.642 177.242 176.600 0.001 0.000 1.033 292 K CA 1.004 57.310 56.287 0.032 0.000 1.004 292 K CB 0.038 32.552 32.500 0.025 0.000 0.798 292 K HN 0.813 nan 8.250 nan 0.000 0.495 293 D N -0.279 120.119 120.400 -0.004 0.000 2.535 293 D HA 0.131 4.770 4.640 -0.002 0.000 0.229 293 D C -0.007 176.258 176.300 -0.058 0.000 1.238 293 D CA -0.218 53.769 54.000 -0.021 0.000 0.824 293 D CB 0.066 40.865 40.800 -0.001 0.000 1.045 293 D HN -0.002 nan 8.370 nan 0.000 0.500 294 I N 0.723 121.231 120.570 -0.104 0.000 2.509 294 I HA 0.205 4.374 4.170 -0.002 0.000 0.293 294 I C 1.181 177.130 176.117 -0.280 0.000 1.020 294 I CA -0.713 60.440 61.300 -0.245 0.000 1.088 294 I CB 2.413 40.224 38.000 -0.314 0.000 1.267 294 I HN -0.124 nan 8.210 nan 0.000 0.430 295 T N 1.421 115.765 114.554 -0.350 0.000 3.113 295 T HA 0.123 4.472 4.350 -0.002 0.000 0.256 295 T C 0.429 174.929 174.700 -0.333 0.000 1.131 295 T CA 0.066 62.000 62.100 -0.276 0.000 1.074 295 T CB -0.338 68.411 68.868 -0.198 0.000 0.944 295 T HN 0.427 nan 8.240 nan 0.000 0.516 296 V N -2.558 117.093 119.914 -0.438 0.000 3.113 296 V HA 0.766 4.885 4.120 -0.002 0.000 0.316 296 V C -0.498 175.399 176.094 -0.329 0.000 1.125 296 V CA -2.048 60.020 62.300 -0.387 0.000 1.026 296 V CB 0.759 32.482 31.823 -0.166 0.000 1.080 296 V HN 0.049 nan 8.190 nan 0.000 0.444 297 F N 1.720 121.553 119.950 -0.195 0.000 2.602 297 F HA 0.601 5.126 4.527 -0.002 0.000 0.385 297 F C 0.866 176.682 175.800 0.026 0.000 1.063 297 F CA 0.865 58.697 58.000 -0.280 0.000 1.233 297 F CB -0.061 38.715 39.000 -0.372 0.000 1.067 297 F HN 0.984 nan 8.300 nan 0.000 0.564 298 A N 2.505 125.546 122.820 0.369 0.000 2.488 298 A HA 0.652 4.971 4.320 -0.002 0.000 0.295 298 A C -0.221 177.691 177.584 0.547 0.000 1.045 298 A CA -0.426 51.855 52.037 0.406 0.000 0.703 298 A CB 0.807 19.955 19.000 0.246 0.000 1.271 298 A HN 0.932 nan 8.150 nan 0.000 0.400 299 G N 0.202 109.293 108.800 0.485 0.000 2.358 299 G HA2 0.446 4.405 3.960 -0.002 0.000 0.273 299 G HA3 0.446 4.405 3.960 -0.002 0.000 0.273 299 G C -0.179 174.861 174.900 0.234 0.000 1.215 299 G CA -0.044 45.272 45.100 0.361 0.000 0.910 299 G HN 0.864 nan 8.290 nan 0.000 0.467 300 c N 5.029 123.747 118.600 0.197 0.000 2.439 300 c HA 0.660 5.229 4.570 -0.002 0.000 0.298 300 c C 0.093 174.242 174.090 0.100 0.000 1.094 300 c CA -0.656 55.756 56.329 0.139 0.000 1.609 300 c CB -2.340 40.249 42.510 0.132 0.000 1.723 300 c HN 0.742 nan 8.230 nan 0.000 0.423 301 L N -0.897 120.367 121.223 0.068 0.000 3.079 301 L HA 0.640 4.979 4.340 -0.002 0.000 0.278 301 L C -0.929 175.961 176.870 0.034 0.000 1.026 301 L CA -0.965 53.889 54.840 0.023 0.000 0.963 301 L CB 0.896 42.909 42.059 -0.078 0.000 1.526 301 L HN -0.142 nan 8.230 nan 0.000 0.397 302 V N 1.713 121.654 119.914 0.045 0.000 2.509 302 V HA 0.386 4.505 4.120 -0.002 0.000 0.297 302 V C 1.360 177.483 176.094 0.049 0.000 1.014 302 V CA 1.820 64.199 62.300 0.132 0.000 1.127 302 V CB -0.230 31.715 31.823 0.204 0.000 0.925 302 V HN 1.214 nan 8.190 nan 0.000 0.480 303 G N 3.252 112.094 108.800 0.069 0.000 2.213 303 G HA2 0.009 3.968 3.960 -0.002 0.000 0.226 303 G HA3 0.009 3.968 3.960 -0.002 0.000 0.226 303 G C 0.974 175.909 174.900 0.060 0.000 0.992 303 G CA 0.247 45.372 45.100 0.041 0.000 0.632 303 G HN 2.026 nan 8.290 nan 0.000 0.511 304 G N -0.102 108.741 108.800 0.073 0.000 2.614 304 G HA2 0.068 4.026 3.960 -0.002 0.000 0.303 304 G HA3 0.068 4.026 3.960 -0.002 0.000 0.303 304 G C 1.905 176.886 174.900 0.134 0.000 1.270 304 G CA 2.040 47.207 45.100 0.112 0.000 0.988 304 G HN 1.890 nan 8.290 nan 0.000 0.551 305 G N -0.728 108.186 108.800 0.189 0.000 2.462 305 G HA2 0.026 3.985 3.960 -0.002 0.000 0.220 305 G HA3 0.026 3.985 3.960 -0.002 0.000 0.220 305 G C 1.974 176.983 174.900 0.182 0.000 1.121 305 G CA 2.633 47.874 45.100 0.234 0.000 0.758 305 G HN 1.951 nan 8.290 nan 0.000 0.559 306 T N -2.276 112.356 114.554 0.130 0.000 3.035 306 T HA 0.052 4.401 4.350 -0.002 0.000 0.268 306 T C 2.278 177.034 174.700 0.092 0.000 1.109 306 T CA 1.434 63.598 62.100 0.106 0.000 1.119 306 T CB -0.029 68.887 68.868 0.079 0.000 0.900 306 T HN 0.112 nan 8.240 nan 0.000 0.503 307 S N 0.766 116.500 115.700 0.058 0.000 2.501 307 S HA 0.155 4.623 4.470 -0.002 0.000 0.220 307 S C 1.682 176.317 174.600 0.058 0.000 0.997 307 S CA 0.571 58.777 58.200 0.009 0.000 0.919 307 S CB 0.221 63.330 63.200 -0.152 0.000 0.778 307 S HN 0.695 nan 8.310 nan 0.000 0.523 308 V N -0.246 119.719 119.914 0.085 0.000 3.330 308 V HA 0.356 4.475 4.120 -0.002 0.000 0.309 308 V C -0.031 176.227 176.094 0.273 0.000 1.481 308 V CA -0.706 61.638 62.300 0.073 0.000 1.068 308 V CB -0.830 30.957 31.823 -0.059 0.000 0.935 308 V HN 0.364 nan 8.190 nan 0.000 0.453 309 N N 1.412 120.273 118.700 0.269 0.000 2.413 309 N HA 0.434 5.173 4.740 -0.002 0.000 0.266 309 N C 1.352 176.847 175.510 -0.025 0.000 1.238 309 N CA 0.114 53.341 53.050 0.295 0.000 0.972 309 N CB 0.839 39.465 38.487 0.232 0.000 1.210 309 N HN 0.043 nan 8.380 nan 0.000 0.547 310 G N -1.903 106.698 108.800 -0.333 0.000 2.598 310 G HA2 0.195 4.154 3.960 -0.002 0.000 0.215 310 G HA3 0.195 4.154 3.960 -0.002 0.000 0.215 310 G C 0.778 175.505 174.900 -0.287 0.000 1.131 310 G CA 0.780 45.269 45.100 -1.019 0.000 0.785 310 G HN 1.445 nan 8.290 nan 0.000 0.539 311 A N -1.588 121.186 122.820 -0.076 0.000 3.021 311 A HA -0.175 4.144 4.320 -0.002 0.000 0.257 311 A C 0.761 178.273 177.584 -0.120 0.000 1.277 311 A CA 0.848 52.875 52.037 -0.017 0.000 1.012 311 A CB -2.123 16.915 19.000 0.064 0.000 1.147 311 A HN 0.432 nan 8.150 nan 0.000 0.861 312 L N -0.613 120.498 121.223 -0.187 0.000 2.499 312 L HA 0.316 4.655 4.340 -0.002 0.000 0.273 312 L C 0.226 176.703 176.870 -0.655 0.000 1.195 312 L CA 0.350 54.860 54.840 -0.550 0.000 0.882 312 L CB 0.378 42.270 42.059 -0.280 0.000 1.133 312 L HN 0.443 nan 8.230 nan 0.000 0.483 313 Y N 3.807 123.312 120.300 -1.325 0.000 2.333 313 Y HA 0.382 4.931 4.550 -0.002 0.000 0.324 313 Y C -1.623 173.673 175.900 -1.007 0.000 1.033 313 Y CA -1.492 56.078 58.100 -0.883 0.000 1.224 313 Y CB 0.968 39.069 38.460 -0.598 0.000 1.120 313 Y HN 0.415 nan 8.280 nan 0.000 0.457 314 W N 6.595 127.683 121.300 -0.354 0.000 2.554 314 W HA 0.478 5.136 4.660 -0.002 0.000 0.324 314 W C -1.116 175.165 176.519 -0.396 0.000 1.018 314 W CA -1.084 56.010 57.345 -0.417 0.000 1.243 314 W CB 0.932 30.259 29.460 -0.223 0.000 1.345 314 W HN 0.373 nan 8.180 nan 0.000 0.441 315 Y N 3.888 124.060 120.300 -0.214 0.000 2.702 315 Y HA 0.045 4.594 4.550 -0.001 0.000 0.336 315 Y C -1.279 174.592 175.900 -0.048 0.000 1.235 315 Y CA -2.485 55.523 58.100 -0.153 0.000 1.492 315 Y CB -0.479 37.920 38.460 -0.102 0.000 1.308 315 Y HN 0.108 nan 8.280 nan 0.000 0.589 316 P HA 0.035 nan 4.420 nan 0.000 0.272 316 P C -0.761 176.527 177.300 -0.019 0.000 1.223 316 P CA -0.367 62.761 63.100 0.046 0.000 0.784 316 P CB 0.979 32.763 31.700 0.140 0.000 0.923 317 N N 0.135 118.779 118.700 -0.094 0.000 2.476 317 N HA 0.121 4.860 4.740 -0.002 0.000 0.276 317 N C 0.469 175.942 175.510 -0.062 0.000 1.204 317 N CA -0.510 52.505 53.050 -0.058 0.000 0.974 317 N CB 0.065 38.480 38.487 -0.120 0.000 1.204 317 N HN 0.129 nan 8.380 nan 0.000 0.543 318 D N -0.318 120.142 120.400 0.101 0.000 2.144 318 D HA -0.073 4.566 4.640 -0.002 0.000 0.199 318 D C 1.830 178.183 176.300 0.087 0.000 0.984 318 D CA 1.626 55.737 54.000 0.184 0.000 0.834 318 D CB -0.824 40.085 40.800 0.181 0.000 0.955 318 D HN 0.817 nan 8.370 nan 0.000 0.465 319 G N 0.727 109.541 108.800 0.024 0.000 2.443 319 G HA2 -0.216 3.743 3.960 -0.002 0.000 0.219 319 G HA3 -0.216 3.743 3.960 -0.002 0.000 0.219 319 G C 1.243 176.135 174.900 -0.013 0.000 1.131 319 G CA 0.496 45.603 45.100 0.012 0.000 0.775 319 G HN 0.131 nan 8.290 nan 0.000 0.547 320 D N 0.144 120.495 120.400 -0.082 0.000 2.218 320 D HA -0.041 4.598 4.640 -0.002 0.000 0.204 320 D C 1.021 177.161 176.300 -0.267 0.000 0.976 320 D CA 0.633 54.539 54.000 -0.158 0.000 0.853 320 D CB -0.138 40.520 40.800 -0.238 0.000 0.939 320 D HN 0.409 nan 8.370 nan 0.000 0.481 321 F N 0.139 120.012 119.950 -0.128 0.000 2.684 321 F HA 0.192 4.718 4.527 -0.002 0.000 0.298 321 F C 1.020 176.804 175.800 -0.027 0.000 1.120 321 F CA -0.368 57.418 58.000 -0.356 0.000 1.332 321 F CB 0.449 39.171 39.000 -0.465 0.000 0.986 321 F HN -0.332 nan 8.300 nan 0.000 0.524 322 S N -0.085 115.759 115.700 0.240 0.000 2.585 322 S HA 0.082 4.551 4.470 -0.002 0.000 0.273 322 S C 1.561 176.352 174.600 0.318 0.000 1.339 322 S CA 0.181 58.525 58.200 0.240 0.000 1.028 322 S CB 0.812 64.105 63.200 0.155 0.000 0.906 322 S HN 0.402 nan 8.310 nan 0.000 0.528 323 S N 2.515 118.364 115.700 0.249 0.000 2.447 323 S HA -0.097 4.371 4.470 -0.002 0.000 0.233 323 S C 1.774 176.473 174.600 0.164 0.000 1.006 323 S CA 1.076 59.415 58.200 0.231 0.000 0.957 323 S CB -0.677 62.637 63.200 0.189 0.000 0.773 323 S HN 0.849 nan 8.310 nan 0.000 0.507 324 S N 1.488 117.271 115.700 0.139 0.000 2.515 324 S HA 0.035 4.504 4.470 -0.002 0.000 0.231 324 S C 1.520 176.173 174.600 0.090 0.000 0.987 324 S CA 0.443 58.708 58.200 0.108 0.000 0.936 324 S CB -0.547 62.711 63.200 0.096 0.000 0.766 324 S HN 0.936 nan 8.310 nan 0.000 0.528 325 V N -2.862 117.105 119.914 0.087 0.000 3.483 325 V HA 0.767 4.886 4.120 -0.002 0.000 0.301 325 V C 1.239 177.312 176.094 -0.034 0.000 1.389 325 V CA 0.268 62.572 62.300 0.008 0.000 1.101 325 V CB -0.554 31.251 31.823 -0.030 0.000 0.971 325 V HN 0.634 nan 8.190 nan 0.000 0.434 326 G N -0.964 107.835 108.800 -0.002 0.000 2.284 326 G HA2 -0.221 3.738 3.960 -0.002 0.000 0.201 326 G HA3 -0.221 3.738 3.960 -0.002 0.000 0.201 326 G C -0.247 174.592 174.900 -0.100 0.000 0.998 326 G CA -0.274 44.769 45.100 -0.095 0.000 0.651 326 G HN 0.525 nan 8.290 nan 0.000 0.489 327 W N 2.238 123.539 121.300 0.001 0.000 2.190 327 W HA 0.536 5.195 4.660 -0.002 0.000 0.330 327 W C -1.699 174.869 176.519 0.082 0.000 1.299 327 W CA -1.621 55.727 57.345 0.005 0.000 1.215 327 W CB 0.259 29.789 29.460 0.117 0.000 1.147 327 W HN 0.000 nan 8.180 nan 0.000 0.563 328 P HA -0.009 nan 4.420 nan 0.000 0.269 328 P C 0.609 178.141 177.300 0.386 0.000 1.215 328 P CA 0.263 63.560 63.100 0.328 0.000 0.780 328 P CB 0.756 32.677 31.700 0.368 0.000 0.898 329 S N 0.942 116.806 115.700 0.273 0.000 2.374 329 S HA -0.183 4.286 4.470 -0.002 0.000 0.227 329 S C 1.766 176.499 174.600 0.222 0.000 1.037 329 S CA 2.026 60.358 58.200 0.221 0.000 1.024 329 S CB -0.992 62.299 63.200 0.152 0.000 0.861 329 S HN 0.721 nan 8.310 nan 0.000 0.456 330 S N -0.787 115.059 115.700 0.243 0.000 2.595 330 S HA -0.033 4.436 4.470 -0.002 0.000 0.235 330 S C 0.944 175.586 174.600 0.070 0.000 0.974 330 S CA 0.298 58.587 58.200 0.149 0.000 0.942 330 S CB -0.472 62.809 63.200 0.134 0.000 0.766 330 S HN 0.682 nan 8.310 nan 0.000 0.536 331 W N 1.938 123.295 121.300 0.096 0.000 3.058 331 W HA 0.219 4.878 4.660 -0.002 0.000 0.306 331 W C 2.554 179.054 176.519 -0.032 0.000 1.188 331 W CA 0.355 57.717 57.345 0.028 0.000 1.651 331 W CB -0.366 29.172 29.460 0.130 0.000 1.051 331 W HN 0.460 nan 8.180 nan 0.000 0.592 332 T N -2.402 112.288 114.554 0.227 0.000 2.915 332 T HA -0.174 4.175 4.350 -0.002 0.000 0.269 332 T C 0.960 175.731 174.700 0.119 0.000 1.071 332 T CA 0.883 63.097 62.100 0.190 0.000 1.132 332 T CB -0.608 68.372 68.868 0.187 0.000 0.878 332 T HN 0.209 nan 8.240 nan 0.000 0.479 333 N N 1.593 120.311 118.700 0.029 0.000 2.895 333 N HA 0.028 4.767 4.740 -0.002 0.000 0.277 333 N C 0.870 176.302 175.510 -0.131 0.000 1.185 333 N CA -0.318 52.692 53.050 -0.066 0.000 1.106 333 N CB 0.083 38.525 38.487 -0.075 0.000 1.422 333 N HN 0.748 nan 8.380 nan 0.000 0.521 334 H N 1.317 120.250 119.070 -0.229 0.000 2.535 334 H HA 0.224 4.779 4.556 -0.002 0.000 0.273 334 H C 1.864 177.041 175.328 -0.251 0.000 0.983 334 H CA 0.764 56.576 56.048 -0.393 0.000 1.238 334 H CB 0.202 29.428 29.762 -0.892 0.000 1.412 334 H HN 0.422 nan 8.280 nan 0.000 0.562 335 A N 2.159 124.439 122.820 -0.899 0.000 1.915 335 A HA -0.164 4.154 4.320 -0.002 0.000 0.220 335 A C 0.132 177.445 177.584 -0.451 0.000 1.198 335 A CA 1.903 53.551 52.037 -0.649 0.000 0.647 335 A CB -1.516 17.182 19.000 -0.504 0.000 0.825 335 A HN 0.469 nan 8.150 nan 0.000 0.456 336 P HA -0.146 nan 4.420 nan 0.000 0.216 336 P C 0.800 177.703 177.300 -0.662 0.000 1.150 336 P CA 1.326 64.025 63.100 -0.668 0.000 0.837 336 P CB -0.160 30.954 31.700 -0.976 0.000 0.786 337 Y N -1.472 118.695 120.300 -0.222 0.000 2.314 337 Y HA -0.031 4.518 4.550 -0.002 0.000 0.294 337 Y C 2.476 178.299 175.900 -0.128 0.000 1.119 337 Y CA 1.118 59.113 58.100 -0.175 0.000 1.179 337 Y CB -1.774 36.551 38.460 -0.226 0.000 1.025 337 Y HN -0.129 nan 8.280 nan 0.000 0.541 338 T N -0.819 113.719 114.554 -0.027 0.000 2.788 338 T HA -0.225 4.124 4.350 -0.002 0.000 0.268 338 T C 2.220 176.821 174.700 -0.166 0.000 1.044 338 T CA 1.654 63.728 62.100 -0.042 0.000 1.139 338 T CB -0.469 68.428 68.868 0.050 0.000 0.867 338 T HN 0.379 nan 8.240 nan 0.000 0.454 339 S N 0.868 116.446 115.700 -0.204 0.000 2.368 339 S HA -0.129 4.340 4.470 -0.002 0.000 0.225 339 S C 2.003 176.520 174.600 -0.138 0.000 1.030 339 S CA 1.223 59.299 58.200 -0.207 0.000 0.999 339 S CB -0.195 62.876 63.200 -0.214 0.000 0.844 339 S HN 0.482 nan 8.310 nan 0.000 0.459 340 K N 0.408 120.748 120.400 -0.100 0.000 2.057 340 K HA -0.086 4.232 4.320 -0.002 0.000 0.207 340 K C 2.098 178.717 176.600 0.031 0.000 1.049 340 K CA 1.400 57.667 56.287 -0.034 0.000 0.931 340 K CB -0.451 32.056 32.500 0.013 0.000 0.714 340 K HN 0.343 nan 8.250 nan 0.000 0.440 341 L N 1.636 122.907 121.223 0.081 0.000 2.017 341 L HA -0.205 4.134 4.340 -0.002 0.000 0.208 341 L C 2.295 179.252 176.870 0.144 0.000 1.073 341 L CA 2.213 57.166 54.840 0.188 0.000 0.745 341 L CB -0.894 41.292 42.059 0.212 0.000 0.894 341 L HN 0.221 nan 8.230 nan 0.000 0.432 342 S N -1.302 114.386 115.700 -0.021 0.000 2.419 342 S HA -0.198 4.271 4.470 -0.002 0.000 0.235 342 S C 2.069 176.690 174.600 0.035 0.000 1.019 342 S CA 1.303 59.482 58.200 -0.036 0.000 0.982 342 S CB -1.194 61.748 63.200 -0.430 0.000 0.789 342 S HN 0.722 nan 8.310 nan 0.000 0.490 343 S N 1.700 117.389 115.700 -0.017 0.000 2.414 343 S HA 0.110 4.579 4.470 -0.002 0.000 0.227 343 S C 1.979 176.554 174.600 -0.042 0.000 1.022 343 S CA -0.081 58.101 58.200 -0.029 0.000 0.958 343 S CB -0.278 62.888 63.200 -0.057 0.000 0.797 343 S HN 0.389 nan 8.310 nan 0.000 0.493 344 R N 0.828 121.289 120.500 -0.064 0.000 2.100 344 R HA 0.371 4.710 4.340 -0.002 0.000 0.220 344 R C 0.286 176.547 176.300 -0.064 0.000 1.091 344 R CA 0.538 56.539 56.100 -0.164 0.000 0.986 344 R CB -0.698 29.329 30.300 -0.454 0.000 0.888 344 R HN 0.433 nan 8.270 nan 0.000 0.444 345 L N 2.113 123.370 121.223 0.057 0.000 2.480 345 L HA 0.340 4.679 4.340 -0.002 0.000 0.253 345 L C -2.530 174.485 176.870 0.242 0.000 1.324 345 L CA -1.874 53.016 54.840 0.084 0.000 0.916 345 L CB 2.114 44.191 42.059 0.029 0.000 1.160 345 L HN -0.228 nan 8.230 nan 0.000 0.503 346 P HA 0.024 nan 4.420 nan 0.000 0.271 346 P C 0.192 177.655 177.300 0.272 0.000 1.220 346 P CA 0.200 63.459 63.100 0.264 0.000 0.768 346 P CB 1.129 32.916 31.700 0.144 0.000 0.848 347 S N 2.762 118.677 115.700 0.358 0.000 2.558 347 S HA 0.185 4.654 4.470 -0.002 0.000 0.288 347 S C 0.043 174.653 174.600 0.017 0.000 1.318 347 S CA 0.424 58.710 58.200 0.143 0.000 1.056 347 S CB -0.445 62.625 63.200 -0.218 0.000 0.853 347 S HN 0.539 nan 8.310 nan 0.000 0.505 348 T N 1.831 116.357 114.554 -0.048 0.000 2.928 348 T HA 0.383 4.731 4.350 -0.002 0.000 0.296 348 T C -0.380 174.254 174.700 -0.109 0.000 1.000 348 T CA -0.664 61.346 62.100 -0.150 0.000 0.989 348 T CB 1.037 69.808 68.868 -0.161 0.000 1.005 348 T HN 0.745 nan 8.240 nan 0.000 0.442 349 D N 2.618 122.945 120.400 -0.122 0.000 2.368 349 D HA 0.046 4.685 4.640 -0.002 0.000 0.218 349 D C 0.526 176.871 176.300 0.075 0.000 1.112 349 D CA -0.112 53.907 54.000 0.032 0.000 0.834 349 D CB -0.201 40.683 40.800 0.139 0.000 0.953 349 D HN 0.801 nan 8.370 nan 0.000 0.505 350 H N -1.178 117.946 119.070 0.090 0.000 2.439 350 H HA 0.307 4.862 4.556 -0.002 0.000 0.228 350 H C -2.262 173.148 175.328 0.136 0.000 1.423 350 H CA -1.373 54.711 56.048 0.059 0.000 1.386 350 H CB 0.836 30.585 29.762 -0.022 0.000 1.641 350 H HN -0.102 nan 8.280 nan 0.000 0.508 351 P HA -0.118 nan 4.420 nan 0.000 0.222 351 P C 0.956 178.386 177.300 0.217 0.000 1.147 351 P CA 0.480 63.718 63.100 0.230 0.000 0.790 351 P CB 0.261 32.184 31.700 0.371 0.000 0.780 352 S N 0.545 116.385 115.700 0.233 0.000 2.546 352 S HA 0.053 4.522 4.470 -0.002 0.000 0.290 352 S C 1.624 176.334 174.600 0.184 0.000 1.290 352 S CA 0.334 58.657 58.200 0.204 0.000 1.069 352 S CB -0.058 63.314 63.200 0.286 0.000 0.846 352 S HN 0.314 nan 8.310 nan 0.000 0.495 353 T N 1.271 115.896 114.554 0.119 0.000 2.977 353 T HA -0.147 4.202 4.350 -0.002 0.000 0.271 353 T C 0.944 175.703 174.700 0.099 0.000 1.105 353 T CA 1.280 63.437 62.100 0.094 0.000 1.116 353 T CB -0.498 68.390 68.868 0.032 0.000 0.878 353 T HN 0.792 nan 8.240 nan 0.000 0.509 354 D N 0.829 121.299 120.400 0.116 0.000 2.349 354 D HA 0.222 4.861 4.640 -0.002 0.000 0.224 354 D C 1.694 178.043 176.300 0.082 0.000 1.029 354 D CA 0.473 54.534 54.000 0.101 0.000 0.879 354 D CB -0.897 39.979 40.800 0.127 0.000 0.906 354 D HN 0.551 nan 8.370 nan 0.000 0.528 355 G N -0.380 108.485 108.800 0.109 0.000 2.184 355 G HA2 -0.332 3.627 3.960 -0.002 0.000 0.264 355 G HA3 -0.332 3.627 3.960 -0.002 0.000 0.264 355 G C 0.175 175.038 174.900 -0.063 0.000 0.975 355 G CA 0.431 45.535 45.100 0.006 0.000 0.642 355 G HN 0.498 nan 8.290 nan 0.000 0.536 356 Q N -0.598 119.226 119.800 0.040 0.000 2.180 356 Q HA 0.706 5.045 4.340 -0.002 0.000 0.241 356 Q C 0.431 176.402 176.000 -0.048 0.000 0.970 356 Q CA -0.666 55.084 55.803 -0.087 0.000 0.919 356 Q CB 1.095 29.727 28.738 -0.177 0.000 1.222 356 Q HN 0.384 nan 8.270 nan 0.000 0.482 357 R N 0.355 120.694 120.500 -0.268 0.000 2.711 357 R HA 0.532 4.871 4.340 -0.002 0.000 0.284 357 R C -1.345 174.730 176.300 -0.376 0.000 0.968 357 R CA -0.596 55.397 56.100 -0.179 0.000 0.924 357 R CB 1.283 31.380 30.300 -0.338 0.000 1.162 357 R HN 0.510 nan 8.270 nan 0.000 0.465 358 Y N 1.001 121.284 120.300 -0.028 0.000 2.512 358 Y HA 0.253 4.802 4.550 -0.002 0.000 0.348 358 Y C 0.066 175.957 175.900 -0.016 0.000 0.990 358 Y CA -1.135 56.953 58.100 -0.020 0.000 1.033 358 Y CB 1.661 40.107 38.460 -0.024 0.000 1.259 358 Y HN 0.535 nan 8.280 nan 0.000 0.461 359 L N 2.131 123.419 121.223 0.108 0.000 3.548 359 L HA -0.229 4.110 4.340 -0.002 0.000 0.443 359 L C 0.036 176.962 176.870 0.093 0.000 1.286 359 L CA 0.518 55.391 54.840 0.056 0.000 0.863 359 L CB -0.459 41.568 42.059 -0.054 0.000 1.734 359 L HN 0.771 nan 8.230 nan 0.000 0.873 360 E N -0.534 119.717 120.200 0.086 0.000 2.476 360 E HA 0.061 4.410 4.350 -0.002 0.000 0.196 360 E C 1.421 178.104 176.600 0.138 0.000 1.029 360 E CA 0.405 56.889 56.400 0.141 0.000 0.896 360 E CB 0.336 30.092 29.700 0.095 0.000 1.012 360 E HN 0.732 nan 8.360 nan 0.000 0.475 361 Q N 0.343 120.182 119.800 0.064 0.000 2.112 361 Q HA -0.180 4.159 4.340 -0.002 0.000 0.206 361 Q C 2.204 178.133 176.000 -0.119 0.000 0.987 361 Q CA 2.227 58.028 55.803 -0.003 0.000 0.858 361 Q CB -0.400 28.337 28.738 -0.001 0.000 0.905 361 Q HN 0.262 nan 8.270 nan 0.000 0.420 362 S N -0.432 115.179 115.700 -0.148 0.000 2.402 362 S HA -0.159 4.310 4.470 -0.002 0.000 0.229 362 S C 1.769 176.201 174.600 -0.280 0.000 1.021 362 S CA 0.806 58.751 58.200 -0.425 0.000 0.974 362 S CB -0.579 62.424 63.200 -0.328 0.000 0.800 362 S HN 0.436 nan 8.310 nan 0.000 0.484 363 F N 3.795 123.649 119.950 -0.159 0.000 2.102 363 F HA -0.061 4.465 4.527 -0.002 0.000 0.298 363 F C 2.021 177.709 175.800 -0.187 0.000 1.105 363 F CA 1.733 59.666 58.000 -0.112 0.000 1.239 363 F CB -0.641 38.385 39.000 0.044 0.000 0.991 363 F HN 0.126 nan 8.300 nan 0.000 0.474 364 N N 0.482 119.258 118.700 0.127 0.000 2.120 364 N HA -0.160 4.579 4.740 -0.002 0.000 0.188 364 N C 2.063 177.418 175.510 -0.258 0.000 1.024 364 N CA 1.746 54.797 53.050 0.002 0.000 0.852 364 N CB -0.797 37.721 38.487 0.052 0.000 1.003 364 N HN 0.276 nan 8.380 nan 0.000 0.424 365 V N 0.615 120.304 119.914 -0.375 0.000 2.323 365 V HA -0.110 4.009 4.120 -0.002 0.000 0.244 365 V C 2.338 178.143 176.094 -0.482 0.000 1.041 365 V CA 1.054 63.067 62.300 -0.477 0.000 1.025 365 V CB -0.349 31.096 31.823 -0.630 0.000 0.656 365 V HN 0.058 nan 8.190 nan 0.000 0.451 366 V N 0.942 120.526 119.914 -0.550 0.000 2.667 366 V HA -0.171 3.948 4.120 -0.002 0.000 0.252 366 V C 2.677 178.283 176.094 -0.814 0.000 1.065 366 V CA 1.767 63.707 62.300 -0.599 0.000 1.083 366 V CB -0.592 30.928 31.823 -0.506 0.000 0.692 366 V HN 0.757 nan 8.190 nan 0.000 0.468 367 S N 0.478 115.632 115.700 -0.910 0.000 2.359 367 S HA -0.344 4.125 4.470 -0.002 0.000 0.224 367 S C 1.925 176.125 174.600 -0.666 0.000 1.035 367 S CA 1.790 59.345 58.200 -1.074 0.000 1.018 367 S CB -0.588 62.138 63.200 -0.791 0.000 0.876 367 S HN 0.674 nan 8.310 nan 0.000 0.448 368 Q N 0.527 120.068 119.800 -0.431 0.000 2.096 368 Q HA -0.064 4.275 4.340 -0.002 0.000 0.204 368 Q C 2.295 178.112 176.000 -0.304 0.000 0.982 368 Q CA 1.514 57.147 55.803 -0.284 0.000 0.850 368 Q CB -0.469 28.143 28.738 -0.211 0.000 0.901 368 Q HN 0.521 nan 8.270 nan 0.000 0.422 369 L N 0.631 121.622 121.223 -0.386 0.000 1.989 369 L HA -0.192 4.147 4.340 -0.002 0.000 0.211 369 L C 1.990 178.610 176.870 -0.417 0.000 1.071 369 L CA 1.689 56.310 54.840 -0.365 0.000 0.749 369 L CB -0.367 41.440 42.059 -0.420 0.000 0.890 369 L HN 0.191 nan 8.230 nan 0.000 0.431 370 L N -1.016 119.810 121.223 -0.661 0.000 2.141 370 L HA -0.192 4.146 4.340 -0.002 0.000 0.209 370 L C 2.535 179.244 176.870 -0.269 0.000 1.094 370 L CA 1.132 55.520 54.840 -0.752 0.000 0.763 370 L CB -0.555 40.678 42.059 -1.377 0.000 0.908 370 L HN 0.240 nan 8.230 nan 0.000 0.437 371 K N 0.215 120.472 120.400 -0.237 0.000 2.097 371 K HA -0.109 4.209 4.320 -0.002 0.000 0.206 371 K C 2.096 178.703 176.600 0.011 0.000 1.049 371 K CA 1.267 57.550 56.287 -0.007 0.000 0.933 371 K CB -0.432 32.063 32.500 -0.008 0.000 0.717 371 K HN 0.378 nan 8.250 nan 0.000 0.442 372 G N 0.728 109.494 108.800 -0.056 0.000 2.498 372 G HA2 -0.234 3.725 3.960 -0.002 0.000 0.219 372 G HA3 -0.234 3.725 3.960 -0.002 0.000 0.219 372 G C 1.036 175.949 174.900 0.022 0.000 1.119 372 G CA 0.348 45.434 45.100 -0.023 0.000 0.766 372 G HN 0.344 nan 8.290 nan 0.000 0.552 373 Q N -0.623 119.213 119.800 0.060 0.000 2.246 373 Q HA 0.332 4.671 4.340 -0.002 0.000 0.202 373 Q C 1.510 177.675 176.000 0.275 0.000 0.883 373 Q CA 0.193 56.096 55.803 0.167 0.000 0.952 373 Q CB 0.593 29.454 28.738 0.205 0.000 1.078 373 Q HN 0.415 nan 8.270 nan 0.000 0.493 374 G N 0.235 109.163 108.800 0.214 0.000 2.143 374 G HA2 -0.294 3.665 3.960 -0.002 0.000 0.249 374 G HA3 -0.294 3.665 3.960 -0.002 0.000 0.249 374 G C -0.312 174.737 174.900 0.249 0.000 0.981 374 G CA -0.266 44.936 45.100 0.170 0.000 0.665 374 G HN 0.279 nan 8.290 nan 0.000 0.528 375 Y N 0.984 121.386 120.300 0.170 0.000 2.379 375 Y HA 0.449 4.998 4.550 -0.001 0.000 0.337 375 Y C 1.070 177.132 175.900 0.270 0.000 1.238 375 Y CA -0.544 57.705 58.100 0.249 0.000 1.405 375 Y CB 0.535 39.142 38.460 0.245 0.000 1.310 375 Y HN 0.106 nan 8.280 nan 0.000 0.569 376 N N 1.587 120.505 118.700 0.363 0.000 2.361 376 N HA 0.164 4.903 4.740 -0.002 0.000 0.302 376 N C -1.100 174.317 175.510 -0.155 0.000 1.074 376 N CA -0.749 52.406 53.050 0.175 0.000 0.850 376 N CB 1.834 40.424 38.487 0.171 0.000 1.228 376 N HN 0.622 nan 8.380 nan 0.000 0.491 377 Q N 0.839 120.382 119.800 -0.429 0.000 2.259 377 Q HA 0.630 4.969 4.340 -0.002 0.000 0.246 377 Q C -1.321 174.506 176.000 -0.288 0.000 0.920 377 Q CA -0.526 54.757 55.803 -0.866 0.000 0.895 377 Q CB 0.991 29.283 28.738 -0.744 0.000 1.220 377 Q HN 0.730 nan 8.270 nan 0.000 0.439 378 A N 2.081 124.763 122.820 -0.230 0.000 2.609 378 A HA 0.493 4.812 4.320 -0.002 0.000 0.291 378 A C -1.057 176.559 177.584 0.054 0.000 1.096 378 A CA -0.708 51.323 52.037 -0.009 0.000 0.684 378 A CB 1.889 20.927 19.000 0.064 0.000 1.282 378 A HN 0.633 nan 8.150 nan 0.000 0.412 379 T N 2.861 117.482 114.554 0.112 0.000 2.738 379 T HA 0.221 4.570 4.350 -0.002 0.000 0.294 379 T C 1.676 176.455 174.700 0.132 0.000 0.914 379 T CA -0.273 61.916 62.100 0.149 0.000 1.052 379 T CB -0.304 68.652 68.868 0.146 0.000 0.897 379 T HN 0.426 nan 8.240 nan 0.000 0.522 380 I N 2.932 123.596 120.570 0.156 0.000 2.118 380 I HA -0.174 3.995 4.170 -0.002 0.000 0.241 380 I C 2.069 178.220 176.117 0.056 0.000 1.070 380 I CA 1.453 62.812 61.300 0.099 0.000 1.327 380 I CB -0.761 37.351 38.000 0.187 0.000 1.034 380 I HN 0.547 nan 8.210 nan 0.000 0.405 381 N N 0.845 119.580 118.700 0.059 0.000 2.515 381 N HA -0.104 4.635 4.740 -0.002 0.000 0.185 381 N C 1.120 176.704 175.510 0.123 0.000 1.109 381 N CA 0.515 53.551 53.050 -0.024 0.000 0.903 381 N CB -0.193 38.054 38.487 -0.399 0.000 0.969 381 N HN 0.350 nan 8.380 nan 0.000 0.450 382 D N 0.110 120.581 120.400 0.118 0.000 2.269 382 D HA -0.041 4.598 4.640 -0.002 0.000 0.208 382 D C 0.155 176.527 176.300 0.121 0.000 0.963 382 D CA 1.027 55.105 54.000 0.130 0.000 0.864 382 D CB 0.087 40.955 40.800 0.112 0.000 0.936 382 D HN 0.074 nan 8.370 nan 0.000 0.505 383 N N -0.991 117.781 118.700 0.121 0.000 2.732 383 N HA 0.120 4.859 4.740 -0.002 0.000 0.247 383 N C -2.404 173.161 175.510 0.090 0.000 1.305 383 N CA -1.201 51.917 53.050 0.114 0.000 0.762 383 N CB 1.505 40.072 38.487 0.135 0.000 1.361 383 N HN -0.259 nan 8.380 nan 0.000 0.545 384 P HA 0.009 nan 4.420 nan 0.000 0.220 384 P C 0.798 178.062 177.300 -0.061 0.000 1.148 384 P CA 0.897 63.993 63.100 -0.006 0.000 0.803 384 P CB 0.445 32.193 31.700 0.081 0.000 0.782 385 N N -1.950 116.758 118.700 0.014 0.000 2.457 385 N HA -0.105 4.634 4.740 -0.002 0.000 0.180 385 N C 0.188 175.731 175.510 0.056 0.000 1.050 385 N CA 0.487 53.541 53.050 0.007 0.000 0.906 385 N CB -0.444 38.067 38.487 0.040 0.000 0.968 385 N HN 0.200 nan 8.380 nan 0.000 0.445 386 Y N 2.038 122.287 120.300 -0.085 0.000 2.535 386 Y HA 0.214 4.763 4.550 -0.001 0.000 0.349 386 Y C 0.735 176.583 175.900 -0.086 0.000 0.992 386 Y CA -0.463 57.605 58.100 -0.053 0.000 1.248 386 Y CB 0.218 38.663 38.460 -0.026 0.000 1.124 386 Y HN -0.256 nan 8.280 nan 0.000 0.520 387 K N 2.228 122.556 120.400 -0.119 0.000 2.493 387 K HA 0.052 4.371 4.320 -0.002 0.000 0.201 387 K C -0.390 176.265 176.600 0.092 0.000 1.355 387 K CA 0.076 56.250 56.287 -0.188 0.000 0.953 387 K CB 0.233 32.507 32.500 -0.376 0.000 1.316 387 K HN 0.549 nan 8.250 nan 0.000 0.522 388 D N 1.763 122.297 120.400 0.223 0.000 2.412 388 D HA -0.029 4.610 4.640 -0.002 0.000 0.257 388 D C -0.438 175.933 176.300 0.117 0.000 1.217 388 D CA 0.854 54.980 54.000 0.210 0.000 0.897 388 D CB -0.014 40.903 40.800 0.194 0.000 1.132 388 D HN 0.210 nan 8.370 nan 0.000 0.493 389 H N 0.416 119.368 119.070 -0.197 0.000 2.826 389 H HA -0.151 4.404 4.556 -0.002 0.000 0.306 389 H C -0.796 174.449 175.328 -0.139 0.000 1.235 389 H CA 0.589 56.291 56.048 -0.577 0.000 1.150 389 H CB -1.375 28.089 29.762 -0.497 0.000 1.409 389 H HN 0.076 nan 8.280 nan 0.000 0.420 390 V N 1.216 121.233 119.914 0.171 0.000 2.555 390 V HA 0.615 4.734 4.120 -0.002 0.000 0.302 390 V C 0.110 176.507 176.094 0.506 0.000 1.038 390 V CA -0.447 61.938 62.300 0.142 0.000 0.887 390 V CB 1.515 33.169 31.823 -0.281 0.000 0.991 390 V HN 0.343 nan 8.190 nan 0.000 0.434 391 F N 1.647 121.739 119.950 0.236 0.000 2.629 391 F HA 1.053 5.579 4.527 -0.001 0.000 0.316 391 F C -0.002 175.880 175.800 0.137 0.000 1.081 391 F CA -0.708 57.394 58.000 0.169 0.000 0.954 391 F CB 2.030 41.014 39.000 -0.027 0.000 1.337 391 F HN 0.774 nan 8.300 nan 0.000 0.474 392 G N 0.085 109.048 108.800 0.272 0.000 2.559 392 G HA2 0.418 4.377 3.960 -0.002 0.000 0.291 392 G HA3 0.418 4.377 3.960 -0.002 0.000 0.291 392 G C -2.373 172.808 174.900 0.468 0.000 1.424 392 G CA -1.053 44.192 45.100 0.241 0.000 0.786 392 G HN 0.711 nan 8.290 nan 0.000 0.485 393 Y N 1.126 121.730 120.300 0.506 0.000 2.597 393 Y HA 0.302 4.851 4.550 -0.002 0.000 0.336 393 Y C 1.610 177.692 175.900 0.303 0.000 1.216 393 Y CA 0.460 58.770 58.100 0.349 0.000 1.463 393 Y CB 0.650 39.156 38.460 0.076 0.000 1.303 393 Y HN 0.341 nan 8.280 nan 0.000 0.576 394 S N 1.830 117.774 115.700 0.406 0.000 2.558 394 S HA 0.330 4.799 4.470 -0.002 0.000 0.293 394 S C 0.123 174.525 174.600 -0.330 0.000 1.292 394 S CA -0.247 57.998 58.200 0.074 0.000 1.063 394 S CB 0.055 63.222 63.200 -0.054 0.000 0.831 394 S HN 0.726 nan 8.310 nan 0.000 0.499 395 A N 2.918 125.296 122.820 -0.736 0.000 2.337 395 A HA 0.851 5.170 4.320 -0.002 0.000 0.329 395 A C -0.855 175.949 177.584 -1.299 0.000 1.146 395 A CA -0.628 50.928 52.037 -0.800 0.000 0.800 395 A CB 0.506 19.191 19.000 -0.525 0.000 1.220 395 A HN 0.613 nan 8.150 nan 0.000 0.472 396 F N 0.408 120.073 119.950 -0.475 0.000 2.588 396 F HA 0.366 4.892 4.527 -0.002 0.000 0.314 396 F C -0.069 175.344 175.800 -0.645 0.000 1.069 396 F CA -0.980 56.560 58.000 -0.767 0.000 0.931 396 F CB 2.044 40.169 39.000 -1.459 0.000 1.260 396 F HN 0.591 nan 8.300 nan 0.000 0.465 397 D N 1.014 121.026 120.400 -0.648 0.000 2.943 397 D HA 0.172 4.811 4.640 -0.002 0.000 0.249 397 D C -0.661 175.540 176.300 -0.165 0.000 1.231 397 D CA -0.004 53.601 54.000 -0.658 0.000 0.979 397 D CB -0.621 39.440 40.800 -1.232 0.000 1.053 397 D HN -0.034 nan 8.370 nan 0.000 0.504 398 F N 0.077 119.991 119.950 -0.060 0.000 2.411 398 F HA 0.595 5.120 4.527 -0.002 0.000 0.324 398 F C 0.533 176.318 175.800 -0.025 0.000 1.086 398 F CA -1.600 56.378 58.000 -0.037 0.000 1.028 398 F CB 1.063 40.049 39.000 -0.023 0.000 1.284 398 F HN -0.051 nan 8.300 nan 0.000 0.501 399 L N 0.637 121.977 121.223 0.195 0.000 2.493 399 L HA 0.310 4.648 4.340 -0.002 0.000 0.265 399 L C -0.426 176.483 176.870 0.065 0.000 0.954 399 L CA -0.982 53.917 54.840 0.099 0.000 0.844 399 L CB 1.962 44.055 42.059 0.057 0.000 1.302 399 L HN 0.687 nan 8.230 nan 0.000 0.405 400 N N 1.762 120.496 118.700 0.055 0.000 2.708 400 N HA -0.222 4.517 4.740 -0.002 0.000 0.249 400 N C 0.853 176.370 175.510 0.011 0.000 1.097 400 N CA 0.781 53.845 53.050 0.024 0.000 0.710 400 N CB -0.707 37.780 38.487 -0.001 0.000 1.032 400 N HN 1.154 nan 8.380 nan 0.000 0.551 401 G N -1.334 107.498 108.800 0.053 0.000 2.162 401 G HA2 -0.370 3.589 3.960 -0.002 0.000 0.260 401 G HA3 -0.370 3.589 3.960 -0.002 0.000 0.260 401 G C -0.037 174.886 174.900 0.037 0.000 0.976 401 G CA 0.961 46.101 45.100 0.067 0.000 0.655 401 G HN 0.513 nan 8.290 nan 0.000 0.533 402 K N -0.560 119.805 120.400 -0.057 0.000 2.340 402 K HA 0.575 4.894 4.320 -0.002 0.000 0.244 402 K C 0.478 176.875 176.600 -0.340 0.000 0.973 402 K CA -1.109 55.090 56.287 -0.146 0.000 0.828 402 K CB 1.743 34.221 32.500 -0.037 0.000 1.226 402 K HN 0.181 nan 8.250 nan 0.000 0.437 403 R N 0.623 120.867 120.500 -0.427 0.000 2.583 403 R HA -0.011 4.327 4.340 -0.002 0.000 0.274 403 R C -0.250 176.059 176.300 0.014 0.000 0.998 403 R CA 0.710 56.660 56.100 -0.250 0.000 1.081 403 R CB 0.432 30.663 30.300 -0.114 0.000 0.940 403 R HN 0.851 nan 8.270 nan 0.000 0.413 404 A N 3.428 126.343 122.820 0.158 0.000 1.795 404 A HA 0.544 4.863 4.320 -0.002 0.000 0.182 404 A C 0.767 178.397 177.584 0.076 0.000 2.073 404 A CA 0.491 52.585 52.037 0.096 0.000 1.402 404 A CB -0.729 18.324 19.000 0.090 0.000 0.977 404 A HN 1.071 nan 8.150 nan 0.000 0.648 405 G N -0.435 108.393 108.800 0.047 0.000 2.682 405 G HA2 -0.157 3.801 3.960 -0.002 0.000 0.256 405 G HA3 -0.157 3.801 3.960 -0.002 0.000 0.256 405 G C -1.490 173.464 174.900 0.089 0.000 1.333 405 G CA 0.133 45.251 45.100 0.031 0.000 0.904 405 G HN 0.389 nan 8.290 nan 0.000 0.569 406 P HA -0.033 nan 4.420 nan 0.000 0.218 406 P C 2.113 179.473 177.300 0.101 0.000 1.148 406 P CA 1.540 64.749 63.100 0.182 0.000 0.822 406 P CB -0.046 31.681 31.700 0.046 0.000 0.784 407 V N 0.148 120.094 119.914 0.053 0.000 2.332 407 V HA -0.236 3.883 4.120 -0.002 0.000 0.248 407 V C 2.289 178.398 176.094 0.026 0.000 1.055 407 V CA 2.340 64.657 62.300 0.028 0.000 1.038 407 V CB -1.607 30.235 31.823 0.032 0.000 0.651 407 V HN 0.128 nan 8.190 nan 0.000 0.450 408 A N -0.637 122.202 122.820 0.032 0.000 2.218 408 A HA 0.080 4.399 4.320 -0.002 0.000 0.209 408 A C 1.949 179.528 177.584 -0.008 0.000 1.168 408 A CA 1.423 53.470 52.037 0.016 0.000 0.804 408 A CB -0.319 18.695 19.000 0.022 0.000 0.834 408 A HN 0.653 nan 8.150 nan 0.000 0.482 409 T N -4.773 109.776 114.554 -0.008 0.000 3.364 409 T HA 0.130 4.479 4.350 -0.002 0.000 0.179 409 T C 1.527 176.166 174.700 -0.101 0.000 0.939 409 T CA 0.549 62.595 62.100 -0.089 0.000 1.094 409 T CB -0.611 68.161 68.868 -0.161 0.000 1.532 409 T HN 0.090 nan 8.240 nan 0.000 0.346 410 Y N 1.724 121.975 120.300 -0.082 0.000 2.139 410 Y HA -0.030 4.519 4.550 -0.002 0.000 0.282 410 Y C 2.560 178.345 175.900 -0.192 0.000 1.179 410 Y CA 1.364 59.389 58.100 -0.125 0.000 1.161 410 Y CB -0.645 37.746 38.460 -0.114 0.000 0.970 410 Y HN 0.207 nan 8.280 nan 0.000 0.511 411 L N -0.023 121.189 121.223 -0.017 0.000 2.083 411 L HA -0.208 4.131 4.340 -0.002 0.000 0.209 411 L C 2.094 178.883 176.870 -0.134 0.000 1.083 411 L CA 1.705 56.453 54.840 -0.155 0.000 0.752 411 L CB -0.601 41.371 42.059 -0.146 0.000 0.899 411 L HN 0.159 nan 8.230 nan 0.000 0.433 412 Q N -0.638 119.120 119.800 -0.071 0.000 2.119 412 Q HA -0.119 4.220 4.340 -0.002 0.000 0.201 412 Q C 2.192 178.152 176.000 -0.067 0.000 0.972 412 Q CA 1.999 57.775 55.803 -0.045 0.000 0.847 412 Q CB -0.928 27.794 28.738 -0.027 0.000 0.903 412 Q HN 0.736 nan 8.270 nan 0.000 0.433 413 T N -0.992 113.501 114.554 -0.103 0.000 2.904 413 T HA 0.081 4.430 4.350 -0.002 0.000 0.267 413 T C 2.006 176.619 174.700 -0.145 0.000 1.059 413 T CA 1.079 63.116 62.100 -0.106 0.000 1.137 413 T CB -0.233 68.564 68.868 -0.118 0.000 0.879 413 T HN 0.234 nan 8.240 nan 0.000 0.467 414 A N 1.911 124.568 122.820 -0.271 0.000 1.877 414 A HA 0.167 4.486 4.320 -0.002 0.000 0.216 414 A C 2.390 179.814 177.584 -0.266 0.000 1.186 414 A CA 1.184 52.899 52.037 -0.537 0.000 0.620 414 A CB -1.040 17.244 19.000 -1.194 0.000 0.822 414 A HN 0.493 nan 8.150 nan 0.000 0.443 415 L N -0.664 120.517 121.223 -0.070 0.000 2.187 415 L HA -0.203 4.136 4.340 -0.002 0.000 0.213 415 L C 2.777 179.755 176.870 0.180 0.000 1.100 415 L CA 0.844 55.833 54.840 0.248 0.000 0.765 415 L CB -0.330 41.843 42.059 0.190 0.000 0.904 415 L HN 0.459 nan 8.230 nan 0.000 0.437 416 A N -0.451 122.416 122.820 0.078 0.000 2.206 416 A HA -0.001 4.318 4.320 -0.002 0.000 0.211 416 A C 0.995 178.627 177.584 0.079 0.000 1.158 416 A CA 0.235 52.312 52.037 0.066 0.000 0.761 416 A CB -0.249 18.766 19.000 0.025 0.000 0.801 416 A HN 0.263 nan 8.150 nan 0.000 0.473 417 R N 0.253 120.820 120.500 0.111 0.000 2.297 417 R HA 0.260 4.599 4.340 -0.002 0.000 0.308 417 R C -1.748 174.646 176.300 0.157 0.000 1.029 417 R CA -1.744 54.424 56.100 0.114 0.000 0.929 417 R CB 0.884 31.244 30.300 0.100 0.000 1.046 417 R HN 0.132 nan 8.270 nan 0.000 0.461 418 P HA -0.135 nan 4.420 nan 0.000 0.223 418 P C 0.075 177.447 177.300 0.120 0.000 1.151 418 P CA 1.094 64.255 63.100 0.102 0.000 0.787 418 P CB 0.219 31.959 31.700 0.067 0.000 0.788 419 N N -0.754 118.032 118.700 0.142 0.000 2.383 419 N HA -0.038 4.701 4.740 -0.002 0.000 0.192 419 N C -0.340 175.325 175.510 0.258 0.000 1.141 419 N CA -0.224 52.923 53.050 0.162 0.000 0.851 419 N CB -0.373 38.192 38.487 0.131 0.000 0.976 419 N HN 0.119 nan 8.380 nan 0.000 0.465 420 F N 1.567 121.574 119.950 0.095 0.000 2.482 420 F HA 0.486 5.011 4.527 -0.002 0.000 0.331 420 F C -0.815 175.057 175.800 0.120 0.000 1.115 420 F CA -0.521 57.538 58.000 0.098 0.000 0.955 420 F CB 1.876 40.909 39.000 0.055 0.000 1.136 420 F HN -0.245 nan 8.300 nan 0.000 0.452 421 T N 7.050 121.174 114.554 -0.716 0.000 2.848 421 T HA 0.435 4.784 4.350 -0.002 0.000 0.285 421 T C -1.770 172.426 174.700 -0.840 0.000 0.995 421 T CA -0.350 61.409 62.100 -0.567 0.000 0.970 421 T CB 1.120 69.884 68.868 -0.173 0.000 0.976 421 T HN 0.398 nan 8.240 nan 0.000 0.441 422 F N 3.778 123.315 119.950 -0.689 0.000 2.493 422 F HA 0.618 5.144 4.527 -0.002 0.000 0.329 422 F C -0.815 174.864 175.800 -0.201 0.000 1.126 422 F CA -1.475 56.270 58.000 -0.424 0.000 0.937 422 F CB 1.131 40.033 39.000 -0.164 0.000 1.146 422 F HN 0.188 nan 8.300 nan 0.000 0.442 423 K N 4.744 124.907 120.400 -0.394 0.000 2.376 423 K HA 0.395 4.714 4.320 -0.002 0.000 0.257 423 K C -0.288 175.978 176.600 -0.556 0.000 0.939 423 K CA -0.492 55.532 56.287 -0.438 0.000 0.809 423 K CB 1.834 34.194 32.500 -0.234 0.000 1.121 423 K HN 0.778 nan 8.250 nan 0.000 0.425 424 T N -1.265 112.957 114.554 -0.553 0.000 2.923 424 T HA 0.314 4.663 4.350 -0.002 0.000 0.281 424 T C 0.464 175.043 174.700 -0.202 0.000 0.995 424 T CA -0.646 61.218 62.100 -0.393 0.000 0.985 424 T CB 0.656 69.296 68.868 -0.380 0.000 1.114 424 T HN 0.590 nan 8.240 nan 0.000 0.548 425 N N -0.864 117.761 118.700 -0.125 0.000 2.721 425 N HA -0.124 4.615 4.740 -0.002 0.000 0.249 425 N C -1.001 174.470 175.510 -0.065 0.000 1.072 425 N CA 0.450 53.455 53.050 -0.076 0.000 0.710 425 N CB -1.363 37.080 38.487 -0.073 0.000 0.993 425 N HN 0.573 nan 8.380 nan 0.000 0.547 426 V N 1.232 121.107 119.914 -0.066 0.000 2.407 426 V HA 0.416 4.535 4.120 -0.002 0.000 0.291 426 V C 0.299 176.380 176.094 -0.022 0.000 1.018 426 V CA -0.495 61.776 62.300 -0.049 0.000 0.842 426 V CB 2.009 33.790 31.823 -0.070 0.000 0.996 426 V HN 0.211 nan 8.190 nan 0.000 0.426 427 M N 5.631 125.226 119.600 -0.009 0.000 2.149 427 M HA 0.570 5.048 4.480 -0.002 0.000 0.342 427 M C -1.057 175.250 176.300 0.011 0.000 1.068 427 M CA -0.432 54.872 55.300 0.006 0.000 0.991 427 M CB 1.493 34.100 32.600 0.011 0.000 1.596 427 M HN 0.437 nan 8.290 nan 0.000 0.439 428 V N 4.856 124.779 119.914 0.015 0.000 2.432 428 V HA 0.178 4.297 4.120 -0.002 0.000 0.271 428 V C 0.837 176.945 176.094 0.023 0.000 1.046 428 V CA 0.176 62.488 62.300 0.021 0.000 0.945 428 V CB 0.988 32.824 31.823 0.021 0.000 0.992 428 V HN 1.101 nan 8.190 nan 0.000 0.471 429 S N 3.694 119.411 115.700 0.029 0.000 2.421 429 S HA 0.095 4.564 4.470 -0.002 0.000 0.224 429 S C 0.584 175.198 174.600 0.024 0.000 1.035 429 S CA 0.245 58.460 58.200 0.026 0.000 0.953 429 S CB -0.019 63.199 63.200 0.030 0.000 0.810 429 S HN 0.881 nan 8.310 nan 0.000 0.497 430 N N 0.276 118.998 118.700 0.036 0.000 2.961 430 N HA 0.328 5.067 4.740 -0.002 0.000 0.245 430 N C -1.146 174.399 175.510 0.058 0.000 1.404 430 N CA -0.542 52.530 53.050 0.036 0.000 0.880 430 N CB 1.733 40.241 38.487 0.036 0.000 1.461 430 N HN 0.207 nan 8.380 nan 0.000 0.510 431 V N -1.654 118.293 119.914 0.056 0.000 2.785 431 V HA 0.662 4.781 4.120 -0.002 0.000 0.300 431 V C 0.115 176.269 176.094 0.101 0.000 1.062 431 V CA -0.600 61.751 62.300 0.084 0.000 1.029 431 V CB 1.170 33.035 31.823 0.069 0.000 1.024 431 V HN 0.433 nan 8.190 nan 0.000 0.477 432 V N 5.478 125.484 119.914 0.153 0.000 2.427 432 V HA 0.708 4.827 4.120 -0.002 0.000 0.286 432 V C 0.307 176.465 176.094 0.107 0.000 1.034 432 V CA -0.514 61.860 62.300 0.123 0.000 0.893 432 V CB 1.067 32.969 31.823 0.133 0.000 0.982 432 V HN 1.204 nan 8.190 nan 0.000 0.452 433 R N 2.424 122.963 120.500 0.066 0.000 2.764 433 R HA 0.583 4.921 4.340 -0.002 0.000 0.270 433 R C -1.147 175.180 176.300 0.044 0.000 1.014 433 R CA -0.938 55.199 56.100 0.062 0.000 0.904 433 R CB 1.635 31.972 30.300 0.062 0.000 1.236 433 R HN 0.459 nan 8.270 nan 0.000 0.466 434 N N 0.242 118.967 118.700 0.042 0.000 2.851 434 N HA 0.272 5.011 4.740 -0.002 0.000 0.248 434 N C 0.237 175.769 175.510 0.037 0.000 1.221 434 N CA 0.928 53.997 53.050 0.033 0.000 0.847 434 N CB 0.880 39.382 38.487 0.025 0.000 1.150 434 N HN 1.001 nan 8.380 nan 0.000 0.507 435 G N 1.860 110.687 108.800 0.045 0.000 2.536 435 G HA2 -0.361 3.598 3.960 -0.002 0.000 0.280 435 G HA3 -0.361 3.598 3.960 -0.002 0.000 0.280 435 G C 0.897 175.825 174.900 0.046 0.000 1.152 435 G CA 0.584 45.712 45.100 0.047 0.000 0.970 435 G HN 0.958 nan 8.290 nan 0.000 0.549 436 S N -0.014 115.708 115.700 0.038 0.000 2.607 436 S HA 0.265 4.734 4.470 -0.002 0.000 0.224 436 S C 0.996 175.610 174.600 0.023 0.000 0.969 436 S CA 1.814 60.032 58.200 0.030 0.000 0.927 436 S CB 0.346 63.562 63.200 0.027 0.000 0.772 436 S HN 0.965 nan 8.310 nan 0.000 0.533 437 Q N 1.350 121.170 119.800 0.032 0.000 2.368 437 Q HA 0.523 4.862 4.340 -0.002 0.000 0.256 437 Q C -1.262 174.767 176.000 0.049 0.000 0.980 437 Q CA -0.685 55.139 55.803 0.036 0.000 0.887 437 Q CB 0.373 29.134 28.738 0.038 0.000 1.221 437 Q HN 0.275 nan 8.270 nan 0.000 0.458 438 I N 5.531 126.131 120.570 0.051 0.000 2.452 438 I HA -0.013 4.156 4.170 -0.002 0.000 0.287 438 I C 0.682 176.860 176.117 0.102 0.000 1.079 438 I CA 0.496 61.840 61.300 0.074 0.000 1.387 438 I CB 0.752 38.791 38.000 0.065 0.000 1.404 438 I HN 0.808 nan 8.210 nan 0.000 0.522 439 L N 5.341 126.654 121.223 0.149 0.000 2.416 439 L HA 0.415 4.754 4.340 -0.002 0.000 0.216 439 L C 1.140 178.183 176.870 0.288 0.000 1.098 439 L CA 0.315 55.285 54.840 0.217 0.000 0.840 439 L CB -0.415 41.788 42.059 0.239 0.000 0.981 439 L HN 0.867 nan 8.230 nan 0.000 0.462 440 G N -0.350 108.614 108.800 0.274 0.000 2.367 440 G HA2 0.310 4.269 3.960 -0.002 0.000 0.272 440 G HA3 0.310 4.269 3.960 -0.002 0.000 0.272 440 G C -1.673 173.323 174.900 0.159 0.000 1.271 440 G CA -0.019 45.151 45.100 0.117 0.000 0.893 440 G HN -0.121 nan 8.290 nan 0.000 0.485 441 V N -2.221 117.714 119.914 0.035 0.000 2.815 441 V HA 0.872 4.991 4.120 -0.002 0.000 0.314 441 V C -0.477 175.708 176.094 0.152 0.000 1.064 441 V CA -0.856 61.496 62.300 0.086 0.000 0.952 441 V CB 1.710 33.545 31.823 0.021 0.000 1.020 441 V HN 1.013 nan 8.190 nan 0.000 0.439 442 Q N 2.737 122.634 119.800 0.160 0.000 2.314 442 Q HA 0.676 5.015 4.340 -0.002 0.000 0.259 442 Q C -0.171 175.880 176.000 0.084 0.000 0.951 442 Q CA 0.219 56.120 55.803 0.164 0.000 0.909 442 Q CB 1.352 30.173 28.738 0.139 0.000 1.236 442 Q HN 1.264 nan 8.270 nan 0.000 0.444 443 T N 0.208 114.803 114.554 0.069 0.000 2.927 443 T HA 0.465 4.814 4.350 -0.002 0.000 0.286 443 T C 0.430 175.150 174.700 0.033 0.000 1.040 443 T CA -0.655 61.465 62.100 0.034 0.000 1.010 443 T CB 0.774 69.645 68.868 0.006 0.000 1.177 443 T HN 0.647 nan 8.240 nan 0.000 0.546 444 N N -0.198 118.512 118.700 0.017 0.000 2.251 444 N HA 0.096 4.835 4.740 -0.002 0.000 0.217 444 N C -0.651 174.862 175.510 0.006 0.000 1.124 444 N CA -0.312 52.746 53.050 0.014 0.000 0.843 444 N CB 0.151 38.644 38.487 0.009 0.000 1.024 444 N HN 0.679 nan 8.380 nan 0.000 0.501 445 D N 1.549 121.951 120.400 0.004 0.000 2.464 445 D HA 0.221 4.860 4.640 -0.002 0.000 0.243 445 D C -2.012 174.292 176.300 0.007 0.000 1.104 445 D CA -1.759 52.238 54.000 -0.004 0.000 0.883 445 D CB 2.063 42.850 40.800 -0.021 0.000 1.050 445 D HN 0.037 nan 8.370 nan 0.000 0.524 446 P HA -0.029 nan 4.420 nan 0.000 0.247 446 P C 0.871 178.182 177.300 0.019 0.000 1.225 446 P CA 0.480 63.593 63.100 0.022 0.000 0.768 446 P CB -0.044 31.668 31.700 0.020 0.000 1.020 447 T N -4.600 109.959 114.554 0.008 0.000 3.023 447 T HA 0.205 4.554 4.350 -0.002 0.000 0.253 447 T C 1.507 176.212 174.700 0.008 0.000 1.038 447 T CA -0.024 62.080 62.100 0.007 0.000 0.962 447 T CB -0.617 68.250 68.868 -0.003 0.000 1.018 447 T HN 0.023 nan 8.240 nan 0.000 0.521 448 L N 0.769 121.996 121.223 0.007 0.000 2.567 448 L HA 0.526 4.865 4.340 -0.002 0.000 0.225 448 L C 1.323 178.205 176.870 0.019 0.000 1.119 448 L CA 0.106 54.951 54.840 0.009 0.000 0.871 448 L CB -0.027 42.024 42.059 -0.014 0.000 1.036 448 L HN 0.613 nan 8.230 nan 0.000 0.459 449 G N -0.590 108.228 108.800 0.029 0.000 2.313 449 G HA2 0.162 4.121 3.960 -0.002 0.000 0.296 449 G HA3 0.162 4.121 3.960 -0.002 0.000 0.296 449 G C -3.110 171.840 174.900 0.083 0.000 1.356 449 G CA -0.752 44.378 45.100 0.049 0.000 0.833 449 G HN -0.346 nan 8.290 nan 0.000 0.552 450 P HA 0.138 nan 4.420 nan 0.000 0.269 450 P C 0.317 177.694 177.300 0.129 0.000 1.252 450 P CA 0.280 63.451 63.100 0.119 0.000 0.780 450 P CB 0.488 32.270 31.700 0.137 0.000 0.829 451 N N 3.030 121.779 118.700 0.083 0.000 2.708 451 N HA -0.242 4.497 4.740 -0.002 0.000 0.249 451 N C 1.029 176.594 175.510 0.093 0.000 1.097 451 N CA 1.653 54.746 53.050 0.072 0.000 0.710 451 N CB -1.310 37.213 38.487 0.059 0.000 1.032 451 N HN 0.841 nan 8.380 nan 0.000 0.551 452 G N -0.988 107.870 108.800 0.096 0.000 2.175 452 G HA2 -0.332 3.627 3.960 -0.002 0.000 0.244 452 G HA3 -0.332 3.627 3.960 -0.002 0.000 0.244 452 G C -0.013 174.965 174.900 0.130 0.000 0.982 452 G CA 0.266 45.418 45.100 0.087 0.000 0.641 452 G HN 0.494 nan 8.290 nan 0.000 0.527 453 F N 2.329 122.293 119.950 0.023 0.000 2.467 453 F HA 0.664 5.190 4.527 -0.002 0.000 0.362 453 F C 0.331 176.156 175.800 0.042 0.000 1.090 453 F CA -1.194 56.824 58.000 0.030 0.000 1.202 453 F CB 0.367 39.385 39.000 0.029 0.000 1.113 453 F HN 0.082 nan 8.300 nan 0.000 0.541 454 I N 8.966 129.109 120.570 -0.710 0.000 2.410 454 I HA 0.322 4.491 4.170 -0.002 0.000 0.286 454 I C -2.353 173.242 176.117 -0.869 0.000 1.009 454 I CA -2.043 58.890 61.300 -0.613 0.000 1.111 454 I CB 1.803 39.667 38.000 -0.228 0.000 1.262 454 I HN 0.438 nan 8.210 nan 0.000 0.443 455 P HA 0.253 nan 4.420 nan 0.000 0.282 455 P C -0.470 176.778 177.300 -0.087 0.000 1.259 455 P CA -0.321 62.542 63.100 -0.395 0.000 0.826 455 P CB 1.957 33.561 31.700 -0.159 0.000 1.064 456 V N -1.462 118.447 119.914 -0.008 0.000 3.134 456 V HA 0.552 4.671 4.120 -0.002 0.000 0.313 456 V C 0.698 176.797 176.094 0.010 0.000 1.069 456 V CA -0.541 61.773 62.300 0.023 0.000 1.048 456 V CB 0.144 31.977 31.823 0.017 0.000 1.119 456 V HN 0.739 nan 8.190 nan 0.000 0.461 457 T N -0.638 113.911 114.554 -0.008 0.000 2.748 457 T HA 0.287 4.636 4.350 -0.002 0.000 0.304 457 T C -1.542 173.156 174.700 -0.004 0.000 1.041 457 T CA -0.585 61.506 62.100 -0.016 0.000 1.033 457 T CB 0.239 69.090 68.868 -0.029 0.000 0.995 457 T HN 0.626 nan 8.240 nan 0.000 0.536 458 P HA -0.147 nan 4.420 nan 0.000 0.217 458 P C 1.106 178.411 177.300 0.008 0.000 1.162 458 P CA 1.544 64.652 63.100 0.012 0.000 0.901 458 P CB 0.039 31.746 31.700 0.011 0.000 0.793 459 K N -0.860 119.537 120.400 -0.005 0.000 2.417 459 K HA 0.185 4.504 4.320 -0.002 0.000 0.196 459 K C 1.242 177.812 176.600 -0.049 0.000 1.023 459 K CA -0.106 56.175 56.287 -0.009 0.000 1.122 459 K CB -0.064 32.434 32.500 -0.004 0.000 0.850 459 K HN 0.144 nan 8.250 nan 0.000 0.521 460 G N 1.329 110.089 108.800 -0.067 0.000 2.667 460 G HA2 0.173 4.132 3.960 -0.002 0.000 0.250 460 G HA3 0.173 4.132 3.960 -0.002 0.000 0.250 460 G C -0.384 174.442 174.900 -0.123 0.000 1.212 460 G CA -0.350 44.661 45.100 -0.148 0.000 0.874 460 G HN 0.191 nan 8.290 nan 0.000 0.561 461 R N -1.345 119.019 120.500 -0.226 0.000 2.740 461 R HA 0.527 4.866 4.340 -0.002 0.000 0.273 461 R C -1.438 174.901 176.300 0.065 0.000 0.998 461 R CA -0.803 55.276 56.100 -0.036 0.000 0.900 461 R CB 2.668 32.924 30.300 -0.074 0.000 1.223 461 R HN 0.349 nan 8.270 nan 0.000 0.466 462 V N 3.493 123.525 119.914 0.197 0.000 2.513 462 V HA 0.514 4.633 4.120 -0.002 0.000 0.299 462 V C -0.291 175.975 176.094 0.285 0.000 1.035 462 V CA -0.628 61.788 62.300 0.192 0.000 0.889 462 V CB 1.815 33.713 31.823 0.125 0.000 0.988 462 V HN 0.558 nan 8.190 nan 0.000 0.440 463 I N 5.464 126.177 120.570 0.239 0.000 2.389 463 I HA 0.416 4.585 4.170 -0.002 0.000 0.288 463 I C -0.608 175.594 176.117 0.143 0.000 0.999 463 I CA -0.442 60.995 61.300 0.229 0.000 1.129 463 I CB 1.673 39.787 38.000 0.190 0.000 1.288 463 I HN 0.334 nan 8.210 nan 0.000 0.444 464 L N 5.821 127.115 121.223 0.120 0.000 2.265 464 L HA 0.383 4.722 4.340 -0.002 0.000 0.288 464 L C 0.379 177.289 176.870 0.066 0.000 1.058 464 L CA 0.038 54.921 54.840 0.072 0.000 0.809 464 L CB 1.056 43.137 42.059 0.037 0.000 1.179 464 L HN 0.606 nan 8.230 nan 0.000 0.429 465 S N 1.663 117.400 115.700 0.061 0.000 2.901 465 S HA 0.235 4.704 4.470 -0.002 0.000 0.248 465 S C 0.911 175.549 174.600 0.063 0.000 1.021 465 S CA -0.188 58.048 58.200 0.060 0.000 1.090 465 S CB 1.124 64.360 63.200 0.060 0.000 1.039 465 S HN 0.729 nan 8.310 nan 0.000 0.514 466 A N 1.296 124.148 122.820 0.052 0.000 2.307 466 A HA 0.660 4.979 4.320 -0.002 0.000 0.218 466 A C 1.199 178.829 177.584 0.077 0.000 1.228 466 A CA 0.328 52.401 52.037 0.060 0.000 0.857 466 A CB -0.530 18.493 19.000 0.038 0.000 0.897 466 A HN 1.054 nan 8.150 nan 0.000 0.495 467 G N -2.411 106.435 108.800 0.076 0.000 2.707 467 G HA2 0.236 4.195 3.960 -0.002 0.000 0.686 467 G HA3 0.236 4.195 3.960 -0.002 0.000 0.686 467 G C 0.830 175.758 174.900 0.047 0.000 1.315 467 G CA -0.227 44.935 45.100 0.104 0.000 0.832 467 G HN 1.299 nan 8.290 nan 0.000 0.573 468 A N -0.483 122.359 122.820 0.037 0.000 1.883 468 A HA 0.187 4.506 4.320 -0.002 0.000 0.217 468 A C 2.181 179.558 177.584 -0.345 0.000 1.186 468 A CA 2.698 54.632 52.037 -0.171 0.000 0.624 468 A CB -0.455 18.406 19.000 -0.231 0.000 0.822 468 A HN 1.059 nan 8.150 nan 0.000 0.444 469 F N -0.082 119.788 119.950 -0.134 0.000 2.234 469 F HA 0.104 4.630 4.527 -0.002 0.000 0.296 469 F C 2.654 178.377 175.800 -0.129 0.000 1.089 469 F CA 0.835 58.741 58.000 -0.157 0.000 1.343 469 F CB -0.848 38.052 39.000 -0.167 0.000 1.040 469 F HN 0.272 nan 8.300 nan 0.000 0.498 470 G N -0.581 108.276 108.800 0.095 0.000 2.404 470 G HA2 -0.187 3.772 3.960 -0.002 0.000 0.215 470 G HA3 -0.187 3.772 3.960 -0.002 0.000 0.215 470 G C 1.723 176.596 174.900 -0.045 0.000 1.174 470 G CA 1.442 46.564 45.100 0.036 0.000 0.780 470 G HN 0.260 nan 8.290 nan 0.000 0.537 471 T N 1.687 116.200 114.554 -0.067 0.000 2.674 471 T HA -0.182 4.167 4.350 -0.002 0.000 0.265 471 T C 2.932 177.484 174.700 -0.247 0.000 1.039 471 T CA 2.186 64.218 62.100 -0.113 0.000 1.150 471 T CB -0.501 68.317 68.868 -0.083 0.000 0.864 471 T HN 0.526 nan 8.240 nan 0.000 0.427 472 S N 2.002 117.490 115.700 -0.354 0.000 2.374 472 S HA -0.224 4.245 4.470 -0.002 0.000 0.227 472 S C 2.063 176.044 174.600 -1.031 0.000 1.037 472 S CA 1.437 59.216 58.200 -0.702 0.000 1.024 472 S CB -0.523 62.299 63.200 -0.630 0.000 0.861 472 S HN 0.471 nan 8.310 nan 0.000 0.456 473 R N 1.051 121.230 120.500 -0.535 0.000 2.091 473 R HA 0.020 4.359 4.340 -0.002 0.000 0.238 473 R C 2.345 178.524 176.300 -0.202 0.000 1.136 473 R CA 1.740 57.666 56.100 -0.290 0.000 0.959 473 R CB -0.498 29.769 30.300 -0.055 0.000 0.856 473 R HN 0.531 nan 8.270 nan 0.000 0.437 474 I N 0.710 121.180 120.570 -0.167 0.000 2.226 474 I HA -0.311 3.858 4.170 -0.002 0.000 0.245 474 I C 2.177 178.232 176.117 -0.103 0.000 1.100 474 I CA 1.154 62.400 61.300 -0.089 0.000 1.374 474 I CB -0.173 37.793 38.000 -0.057 0.000 1.057 474 I HN 0.253 nan 8.210 nan 0.000 0.413 475 L N -0.392 120.717 121.223 -0.190 0.000 2.012 475 L HA -0.242 4.097 4.340 -0.002 0.000 0.210 475 L C 2.585 179.424 176.870 -0.052 0.000 1.073 475 L CA 1.445 56.197 54.840 -0.146 0.000 0.748 475 L CB -0.685 41.250 42.059 -0.207 0.000 0.891 475 L HN 0.132 nan 8.230 nan 0.000 0.431 476 F N 0.300 120.196 119.950 -0.089 0.000 2.095 476 F HA -0.247 4.279 4.527 -0.002 0.000 0.298 476 F C 2.622 178.322 175.800 -0.167 0.000 1.104 476 F CA 1.067 58.984 58.000 -0.139 0.000 1.232 476 F CB -1.155 37.772 39.000 -0.122 0.000 0.987 476 F HN 0.168 nan 8.300 nan 0.000 0.475 477 Q N -0.717 119.119 119.800 0.059 0.000 2.515 477 Q HA -0.011 4.327 4.340 -0.002 0.000 0.212 477 Q C 1.161 177.151 176.000 -0.018 0.000 0.970 477 Q CA 0.783 56.588 55.803 0.003 0.000 0.941 477 Q CB -0.184 28.564 28.738 0.016 0.000 0.998 477 Q HN 0.240 nan 8.270 nan 0.000 0.518 478 S N -0.697 114.989 115.700 -0.023 0.000 2.593 478 S HA 0.234 4.703 4.470 -0.002 0.000 0.236 478 S C 0.747 175.327 174.600 -0.034 0.000 0.991 478 S CA 0.253 58.447 58.200 -0.010 0.000 0.963 478 S CB 1.125 64.329 63.200 0.005 0.000 0.865 478 S HN 0.550 nan 8.310 nan 0.000 0.488 479 G N 2.200 110.912 108.800 -0.148 0.000 2.273 479 G HA2 -0.249 3.710 3.960 -0.002 0.000 0.280 479 G HA3 -0.249 3.710 3.960 -0.002 0.000 0.280 479 G C -0.184 174.657 174.900 -0.098 0.000 1.047 479 G CA 0.004 44.914 45.100 -0.318 0.000 0.869 479 G HN 0.548 nan 8.290 nan 0.000 0.502 480 I N 0.134 120.685 120.570 -0.031 0.000 2.468 480 I HA 0.673 4.842 4.170 -0.002 0.000 0.285 480 I C 0.645 176.829 176.117 0.112 0.000 1.039 480 I CA 0.042 61.367 61.300 0.043 0.000 1.074 480 I CB 1.628 39.647 38.000 0.032 0.000 1.228 480 I HN 0.714 nan 8.210 nan 0.000 0.436 481 G N 6.623 115.492 108.800 0.115 0.000 2.357 481 G HA2 0.079 4.037 3.960 -0.002 0.000 0.289 481 G HA3 0.079 4.037 3.960 -0.002 0.000 0.289 481 G C -3.404 171.532 174.900 0.060 0.000 1.302 481 G CA -0.955 44.248 45.100 0.171 0.000 0.936 481 G HN 0.276 nan 8.290 nan 0.000 0.513 482 P HA 0.282 nan 4.420 nan 0.000 0.269 482 P C 1.030 178.271 177.300 -0.098 0.000 1.209 482 P CA 0.283 63.356 63.100 -0.045 0.000 0.776 482 P CB 0.639 32.294 31.700 -0.076 0.000 0.876 483 T N 0.665 115.203 114.554 -0.027 0.000 2.720 483 T HA -0.170 4.179 4.350 -0.002 0.000 0.268 483 T C 1.203 175.860 174.700 -0.071 0.000 1.037 483 T CA 2.044 64.151 62.100 0.013 0.000 1.144 483 T CB -0.841 68.086 68.868 0.099 0.000 0.864 483 T HN 0.632 nan 8.240 nan 0.000 0.444 484 D N 1.232 121.572 120.400 -0.099 0.000 2.178 484 D HA -0.116 4.523 4.640 -0.002 0.000 0.201 484 D C 1.897 178.057 176.300 -0.233 0.000 0.980 484 D CA 0.976 54.900 54.000 -0.126 0.000 0.842 484 D CB -0.449 40.286 40.800 -0.108 0.000 0.948 484 D HN 0.250 nan 8.370 nan 0.000 0.472 485 M N 0.174 119.543 119.600 -0.386 0.000 2.156 485 M HA 0.075 4.554 4.480 -0.002 0.000 0.264 485 M C 2.545 178.527 176.300 -0.530 0.000 1.067 485 M CA 0.696 55.592 55.300 -0.673 0.000 1.131 485 M CB -0.620 31.091 32.600 -1.482 0.000 1.368 485 M HN 0.096 nan 8.290 nan 0.000 0.416 486 I N -0.112 120.183 120.570 -0.458 0.000 2.226 486 I HA -0.307 3.862 4.170 -0.002 0.000 0.245 486 I C 2.398 178.249 176.117 -0.442 0.000 1.100 486 I CA 1.181 62.160 61.300 -0.535 0.000 1.374 486 I CB -0.507 36.947 38.000 -0.910 0.000 1.057 486 I HN 0.389 nan 8.210 nan 0.000 0.413 487 Q N 0.161 119.799 119.800 -0.270 0.000 2.170 487 Q HA -0.160 4.178 4.340 -0.002 0.000 0.203 487 Q C 2.208 178.151 176.000 -0.094 0.000 0.976 487 Q CA 1.899 57.649 55.803 -0.089 0.000 0.858 487 Q CB -0.175 28.567 28.738 0.005 0.000 0.907 487 Q HN 0.497 nan 8.270 nan 0.000 0.433 488 T N 0.309 114.777 114.554 -0.144 0.000 2.746 488 T HA -0.112 4.237 4.350 -0.002 0.000 0.267 488 T C 1.994 176.643 174.700 -0.085 0.000 1.039 488 T CA 1.197 63.231 62.100 -0.110 0.000 1.142 488 T CB -0.181 68.601 68.868 -0.144 0.000 0.866 488 T HN 0.061 nan 8.240 nan 0.000 0.444 489 V N 1.563 121.409 119.914 -0.113 0.000 2.287 489 V HA -0.237 3.882 4.120 -0.002 0.000 0.248 489 V C 2.588 178.653 176.094 -0.049 0.000 1.053 489 V CA 1.894 64.151 62.300 -0.071 0.000 1.027 489 V CB -0.704 31.065 31.823 -0.091 0.000 0.646 489 V HN 0.492 nan 8.190 nan 0.000 0.447 490 Q N 0.420 120.186 119.800 -0.057 0.000 2.291 490 Q HA -0.187 4.151 4.340 -0.002 0.000 0.206 490 Q C 2.182 178.193 176.000 0.018 0.000 0.976 490 Q CA 1.600 57.409 55.803 0.010 0.000 0.875 490 Q CB -0.134 28.648 28.738 0.073 0.000 0.927 490 Q HN 0.816 nan 8.270 nan 0.000 0.450 491 S N -0.159 115.541 115.700 -0.000 0.000 2.515 491 S HA -0.052 4.417 4.470 -0.002 0.000 0.231 491 S C 0.654 175.256 174.600 0.003 0.000 0.987 491 S CA 0.074 58.276 58.200 0.003 0.000 0.936 491 S CB -0.040 63.156 63.200 -0.007 0.000 0.766 491 S HN 0.283 nan 8.310 nan 0.000 0.528 492 N N 2.201 120.902 118.700 0.002 0.000 2.485 492 N HA 0.295 5.034 4.740 -0.002 0.000 0.243 492 N C -2.349 173.167 175.510 0.011 0.000 0.987 492 N CA -1.980 51.073 53.050 0.005 0.000 0.940 492 N CB 1.753 40.242 38.487 0.003 0.000 1.122 492 N HN -0.040 nan 8.380 nan 0.000 0.509 493 P HA -0.089 nan 4.420 nan 0.000 0.216 493 P C 1.091 178.402 177.300 0.019 0.000 1.153 493 P CA 1.499 64.609 63.100 0.017 0.000 0.858 493 P CB 0.314 32.023 31.700 0.014 0.000 0.789 494 T N -0.434 114.129 114.554 0.015 0.000 2.674 494 T HA -0.134 4.215 4.350 -0.002 0.000 0.265 494 T C 1.933 176.644 174.700 0.018 0.000 1.039 494 T CA 1.736 63.846 62.100 0.016 0.000 1.150 494 T CB -1.057 67.819 68.868 0.013 0.000 0.864 494 T HN 0.047 nan 8.240 nan 0.000 0.427 495 A N 1.402 124.232 122.820 0.016 0.000 1.972 495 A HA 0.148 4.467 4.320 -0.002 0.000 0.219 495 A C 2.616 180.212 177.584 0.020 0.000 1.169 495 A CA 1.786 53.832 52.037 0.015 0.000 0.635 495 A CB -1.027 17.978 19.000 0.009 0.000 0.810 495 A HN 0.510 nan 8.150 nan 0.000 0.446 496 A N -0.087 122.749 122.820 0.026 0.000 1.933 496 A HA 0.140 4.459 4.320 -0.002 0.000 0.218 496 A C 2.425 180.042 177.584 0.056 0.000 1.175 496 A CA 1.932 53.997 52.037 0.046 0.000 0.628 496 A CB -0.886 18.145 19.000 0.052 0.000 0.814 496 A HN 1.095 nan 8.150 nan 0.000 0.444 497 A N -0.630 122.215 122.820 0.040 0.000 2.067 497 A HA 0.259 4.578 4.320 -0.002 0.000 0.219 497 A C 2.213 179.819 177.584 0.037 0.000 1.158 497 A CA 1.712 53.771 52.037 0.037 0.000 0.661 497 A CB -0.562 18.453 19.000 0.025 0.000 0.801 497 A HN 1.024 nan 8.150 nan 0.000 0.452 498 A N -0.930 121.912 122.820 0.036 0.000 2.195 498 A HA 0.454 4.773 4.320 -0.002 0.000 0.210 498 A C 0.888 178.500 177.584 0.048 0.000 1.165 498 A CA -0.267 51.790 52.037 0.034 0.000 0.806 498 A CB -0.219 18.798 19.000 0.029 0.000 0.847 498 A HN 0.409 nan 8.150 nan 0.000 0.482 499 L N 1.109 122.371 121.223 0.065 0.000 2.461 499 L HA 0.180 4.519 4.340 -0.002 0.000 0.272 499 L C -2.036 174.934 176.870 0.168 0.000 1.197 499 L CA -1.642 53.258 54.840 0.100 0.000 0.836 499 L CB 0.252 42.390 42.059 0.132 0.000 1.105 499 L HN 0.115 nan 8.230 nan 0.000 0.477 500 P HA 0.140 nan 4.420 nan 0.000 0.272 500 P C -2.493 174.992 177.300 0.308 0.000 1.240 500 P CA -1.074 62.164 63.100 0.230 0.000 0.791 500 P CB -0.234 31.613 31.700 0.245 0.000 0.978 501 P HA -0.020 nan 4.420 nan 0.000 0.269 501 P C 0.551 177.716 177.300 -0.226 0.000 1.215 501 P CA 0.066 63.164 63.100 -0.003 0.000 0.780 501 P CB 0.741 32.417 31.700 -0.040 0.000 0.898 502 Q N 2.256 121.701 119.800 -0.592 0.000 2.181 502 Q HA -0.192 4.147 4.340 -0.002 0.000 0.205 502 Q C 1.689 177.181 176.000 -0.846 0.000 0.980 502 Q CA 1.712 56.626 55.803 -1.480 0.000 0.862 502 Q CB -0.271 27.683 28.738 -1.307 0.000 0.905 502 Q HN 0.474 nan 8.270 nan 0.000 0.429 503 N N -0.384 118.071 118.700 -0.410 0.000 2.573 503 N HA -0.191 4.548 4.740 -0.002 0.000 0.187 503 N C 0.806 176.248 175.510 -0.113 0.000 1.107 503 N CA 0.883 53.804 53.050 -0.216 0.000 0.918 503 N CB -0.020 38.385 38.487 -0.137 0.000 0.966 503 N HN 0.446 nan 8.380 nan 0.000 0.448 504 Q N -0.811 118.940 119.800 -0.082 0.000 2.247 504 Q HA 0.107 4.446 4.340 -0.002 0.000 0.211 504 Q C -0.449 175.681 176.000 0.215 0.000 0.861 504 Q CA -0.445 55.396 55.803 0.063 0.000 0.949 504 Q CB 0.278 29.068 28.738 0.087 0.000 1.115 504 Q HN 0.277 nan 8.270 nan 0.000 0.507 505 W N 1.360 122.668 121.300 0.013 0.000 2.181 505 W HA 0.199 4.858 4.660 -0.002 0.000 0.335 505 W C 0.172 176.704 176.519 0.021 0.000 1.310 505 W CA -0.773 56.584 57.345 0.019 0.000 1.226 505 W CB 0.033 29.502 29.460 0.016 0.000 1.155 505 W HN -0.026 nan 8.180 nan 0.000 0.565 506 I N 3.702 124.414 120.570 0.236 0.000 2.330 506 I HA 0.051 4.220 4.170 -0.002 0.000 0.289 506 I C 0.255 176.450 176.117 0.129 0.000 1.001 506 I CA -0.861 60.528 61.300 0.148 0.000 1.193 506 I CB 0.841 38.909 38.000 0.113 0.000 1.345 506 I HN 0.210 nan 8.210 nan 0.000 0.461 507 N N 8.583 127.350 118.700 0.111 0.000 2.439 507 N HA 0.449 5.188 4.740 -0.002 0.000 0.243 507 N C -1.297 174.249 175.510 0.060 0.000 1.088 507 N CA 0.183 53.285 53.050 0.085 0.000 0.940 507 N CB 0.308 38.838 38.487 0.072 0.000 1.180 507 N HN 0.516 nan 8.380 nan 0.000 0.505 508 L N 3.714 124.978 121.223 0.067 0.000 2.393 508 L HA 0.556 4.895 4.340 -0.002 0.000 0.260 508 L C -2.054 174.852 176.870 0.060 0.000 1.002 508 L CA -1.944 52.934 54.840 0.065 0.000 0.818 508 L CB 3.072 45.191 42.059 0.099 0.000 1.369 508 L HN 0.340 nan 8.230 nan 0.000 0.412 509 P HA 0.070 nan 4.420 nan 0.000 0.225 509 P C -0.305 177.019 177.300 0.039 0.000 1.768 509 P CA -0.075 63.043 63.100 0.030 0.000 0.943 509 P CB -0.081 31.621 31.700 0.004 0.000 1.936 510 V N 1.147 121.112 119.914 0.084 0.000 2.479 510 V HA 0.314 4.433 4.120 -0.002 0.000 0.281 510 V C 1.785 177.960 176.094 0.136 0.000 1.031 510 V CA 1.487 63.834 62.300 0.079 0.000 1.038 510 V CB -0.081 31.807 31.823 0.110 0.000 0.981 510 V HN 0.679 nan 8.190 nan 0.000 0.478 511 G N 4.443 113.251 108.800 0.014 0.000 2.234 511 G HA2 -0.197 3.762 3.960 -0.002 0.000 0.235 511 G HA3 -0.197 3.762 3.960 -0.002 0.000 0.235 511 G C 0.216 175.097 174.900 -0.032 0.000 0.997 511 G CA -0.076 45.022 45.100 -0.002 0.000 0.623 511 G HN 0.459 nan 8.290 nan 0.000 0.514 512 M N 0.477 120.066 119.600 -0.018 0.000 2.202 512 M HA 0.370 4.848 4.480 -0.002 0.000 0.316 512 M C 1.313 177.579 176.300 -0.057 0.000 1.138 512 M CA -0.148 55.130 55.300 -0.036 0.000 1.151 512 M CB -0.118 32.466 32.600 -0.026 0.000 1.422 512 M HN 0.279 nan 8.290 nan 0.000 0.471 513 N N -0.959 117.702 118.700 -0.065 0.000 2.714 513 N HA -0.150 4.589 4.740 -0.002 0.000 0.250 513 N C -0.480 174.973 175.510 -0.095 0.000 1.117 513 N CA 0.870 53.871 53.050 -0.083 0.000 0.719 513 N CB -1.134 37.304 38.487 -0.082 0.000 1.081 513 N HN 0.808 nan 8.380 nan 0.000 0.557 514 A N 0.381 123.155 122.820 -0.077 0.000 2.498 514 A HA 0.291 4.610 4.320 -0.002 0.000 0.239 514 A C 0.558 178.099 177.584 -0.071 0.000 1.068 514 A CA 0.433 52.448 52.037 -0.037 0.000 0.766 514 A CB 0.567 19.579 19.000 0.019 0.000 1.003 514 A HN 0.351 nan 8.150 nan 0.000 0.497 515 Q N 0.257 120.010 119.800 -0.079 0.000 2.397 515 Q HA 0.541 4.880 4.340 -0.002 0.000 0.275 515 Q C -1.907 173.956 176.000 -0.227 0.000 1.090 515 Q CA -0.602 55.086 55.803 -0.192 0.000 0.809 515 Q CB 2.142 30.722 28.738 -0.263 0.000 1.362 515 Q HN 0.855 nan 8.270 nan 0.000 0.431 516 D N 0.908 121.111 120.400 -0.329 0.000 2.655 516 D HA 0.272 4.911 4.640 -0.002 0.000 0.229 516 D C -1.513 174.752 176.300 -0.059 0.000 1.229 516 D CA -0.508 53.295 54.000 -0.329 0.000 0.807 516 D CB 1.374 41.714 40.800 -0.766 0.000 1.514 516 D HN 0.546 nan 8.370 nan 0.000 0.444 517 N N 2.426 121.159 118.700 0.056 0.000 2.492 517 N HA 0.271 5.010 4.740 -0.002 0.000 0.262 517 N C -2.257 173.423 175.510 0.283 0.000 1.202 517 N CA -0.631 52.521 53.050 0.170 0.000 0.926 517 N CB 0.455 39.079 38.487 0.229 0.000 1.078 517 N HN 0.243 nan 8.380 nan 0.000 0.454 518 P HA 0.095 nan 4.420 nan 0.000 0.275 518 P C -0.963 176.327 177.300 -0.016 0.000 1.228 518 P CA -0.310 62.868 63.100 0.130 0.000 0.786 518 P CB 0.973 32.726 31.700 0.088 0.000 0.927 519 S N 2.475 118.047 115.700 -0.213 0.000 2.546 519 S HA 0.724 5.193 4.470 -0.002 0.000 0.274 519 S C -0.951 173.366 174.600 -0.473 0.000 1.121 519 S CA -0.787 57.202 58.200 -0.352 0.000 0.887 519 S CB 1.238 64.203 63.200 -0.391 0.000 1.094 519 S HN 0.235 nan 8.310 nan 0.000 0.474 520 I N 2.212 122.501 120.570 -0.468 0.000 2.512 520 I HA 0.357 4.526 4.170 -0.002 0.000 0.287 520 I C -0.747 175.256 176.117 -0.191 0.000 1.069 520 I CA -0.605 60.404 61.300 -0.485 0.000 1.056 520 I CB 1.566 39.287 38.000 -0.464 0.000 1.229 520 I HN 0.812 nan 8.210 nan 0.000 0.429 521 N N 6.456 125.174 118.700 0.029 0.000 2.444 521 N HA 0.536 5.275 4.740 -0.002 0.000 0.271 521 N C -0.943 174.624 175.510 0.095 0.000 1.069 521 N CA -0.432 52.650 53.050 0.054 0.000 0.965 521 N CB 1.472 40.007 38.487 0.080 0.000 1.092 521 N HN 0.381 nan 8.380 nan 0.000 0.476 522 L N 2.689 123.896 121.223 -0.025 0.000 2.313 522 L HA 0.561 4.900 4.340 -0.002 0.000 0.283 522 L C -0.676 175.973 176.870 -0.369 0.000 1.013 522 L CA -1.033 53.667 54.840 -0.233 0.000 0.816 522 L CB 1.465 43.435 42.059 -0.149 0.000 1.236 522 L HN 0.204 nan 8.230 nan 0.000 0.419 523 V N 2.911 122.454 119.914 -0.619 0.000 2.513 523 V HA 0.567 4.686 4.120 -0.002 0.000 0.299 523 V C -0.526 175.017 176.094 -0.918 0.000 1.035 523 V CA -0.516 61.449 62.300 -0.559 0.000 0.889 523 V CB 1.752 33.358 31.823 -0.363 0.000 0.988 523 V HN 0.416 nan 8.190 nan 0.000 0.440 524 F N 0.820 120.408 119.950 -0.605 0.000 2.620 524 F HA 0.792 5.319 4.527 0.000 0.000 0.320 524 F C 0.353 175.925 175.800 -0.380 0.000 1.069 524 F CA -0.695 56.955 58.000 -0.582 0.000 0.953 524 F CB 2.432 40.849 39.000 -0.971 0.000 1.322 524 F HN 0.535 nan 8.300 nan 0.000 0.479 525 T N -1.836 112.777 114.554 0.098 0.000 2.893 525 T HA 0.562 4.911 4.350 -0.002 0.000 0.291 525 T C -1.540 173.382 174.700 0.371 0.000 1.028 525 T CA -0.632 61.609 62.100 0.235 0.000 0.995 525 T CB 2.041 71.006 68.868 0.162 0.000 1.051 525 T HN 0.824 nan 8.240 nan 0.000 0.470 526 H N 1.566 120.805 119.070 0.282 0.000 3.038 526 H HA 0.315 4.871 4.556 -0.002 0.000 0.362 526 H C -2.779 172.632 175.328 0.138 0.000 1.167 526 H CA -1.762 54.404 56.048 0.197 0.000 1.197 526 H CB 2.675 32.557 29.762 0.201 0.000 1.840 526 H HN 0.325 nan 8.280 nan 0.000 0.540 527 P HA -0.131 nan 4.420 nan 0.000 0.223 527 P C 1.232 178.606 177.300 0.123 0.000 1.144 527 P CA 1.646 64.722 63.100 -0.040 0.000 0.783 527 P CB 0.224 31.830 31.700 -0.157 0.000 0.771 528 S N -1.902 114.015 115.700 0.361 0.000 2.527 528 S HA 0.019 4.488 4.470 -0.002 0.000 0.222 528 S C 1.007 175.703 174.600 0.160 0.000 0.985 528 S CA 0.031 58.379 58.200 0.247 0.000 0.921 528 S CB -0.742 62.600 63.200 0.237 0.000 0.772 528 S HN -0.109 nan 8.310 nan 0.000 0.529 529 I N 3.218 123.902 120.570 0.191 0.000 2.634 529 I HA 0.286 4.454 4.170 -0.002 0.000 0.284 529 I C -0.022 176.170 176.117 0.124 0.000 1.124 529 I CA -0.072 61.311 61.300 0.138 0.000 1.417 529 I CB 0.381 38.519 38.000 0.230 0.000 1.396 529 I HN 0.210 nan 8.210 nan 0.000 0.571 530 D N 5.059 125.520 120.400 0.102 0.000 2.460 530 D HA 0.433 5.072 4.640 -0.002 0.000 0.232 530 D C 0.561 176.919 176.300 0.097 0.000 1.079 530 D CA -0.472 53.582 54.000 0.091 0.000 0.864 530 D CB 1.458 42.309 40.800 0.085 0.000 1.048 530 D HN 0.586 nan 8.370 nan 0.000 0.523 531 A N 3.626 126.504 122.820 0.097 0.000 2.235 531 A HA -0.042 4.277 4.320 -0.002 0.000 0.208 531 A C 0.707 178.273 177.584 -0.030 0.000 1.172 531 A CA -0.045 52.047 52.037 0.092 0.000 0.786 531 A CB -0.736 18.345 19.000 0.135 0.000 0.804 531 A HN 0.690 nan 8.150 nan 0.000 0.479 532 Y N -0.445 119.709 120.300 -0.243 0.000 3.234 532 Y HA -0.267 4.282 4.550 -0.002 0.000 0.207 532 Y C 0.371 176.050 175.900 -0.369 0.000 1.316 532 Y CA 0.759 58.607 58.100 -0.420 0.000 1.309 532 Y CB -2.190 35.763 38.460 -0.844 0.000 1.408 532 Y HN 0.687 nan 8.280 nan 0.000 0.544 533 E N -0.885 119.180 120.200 -0.225 0.000 2.805 533 E HA -0.346 4.003 4.350 -0.002 0.000 0.266 533 E C 0.569 177.145 176.600 -0.039 0.000 1.092 533 E CA 1.350 57.667 56.400 -0.138 0.000 0.781 533 E CB -1.433 28.155 29.700 -0.187 0.000 1.379 533 E HN 0.662 nan 8.360 nan 0.000 0.433 534 N N -1.780 116.907 118.700 -0.023 0.000 2.708 534 N HA -0.272 4.467 4.740 -0.002 0.000 0.249 534 N C -0.617 175.068 175.510 0.291 0.000 1.097 534 N CA 1.644 54.773 53.050 0.132 0.000 0.710 534 N CB -1.361 37.233 38.487 0.178 0.000 1.032 534 N HN 0.592 nan 8.380 nan 0.000 0.551 535 W N -4.797 116.623 121.300 0.198 0.000 3.207 535 W HA -0.347 4.311 4.660 -0.003 0.000 0.291 535 W C 1.520 178.146 176.519 0.179 0.000 1.105 535 W CA 0.615 58.093 57.345 0.222 0.000 0.612 535 W CB -1.927 27.663 29.460 0.217 0.000 2.140 535 W HN 0.412 nan 8.180 nan 0.000 1.420 536 A N -0.541 122.436 122.820 0.261 0.000 2.066 536 A HA -0.095 4.224 4.320 -0.002 0.000 0.218 536 A C 1.712 179.418 177.584 0.203 0.000 1.157 536 A CA 1.889 54.055 52.037 0.215 0.000 0.670 536 A CB -0.187 18.899 19.000 0.143 0.000 0.804 536 A HN 0.300 nan 8.150 nan 0.000 0.453 537 D N -0.835 119.664 120.400 0.165 0.000 2.433 537 D HA 0.072 4.711 4.640 -0.002 0.000 0.211 537 D C 1.941 178.375 176.300 0.223 0.000 1.114 537 D CA 0.891 54.976 54.000 0.142 0.000 0.837 537 D CB 0.297 41.108 40.800 0.019 0.000 0.984 537 D HN 0.345 nan 8.370 nan 0.000 0.505 538 V N -1.381 118.745 119.914 0.352 0.000 2.469 538 V HA -0.153 3.966 4.120 -0.002 0.000 0.251 538 V C 2.051 178.513 176.094 0.614 0.000 1.064 538 V CA 1.088 63.711 62.300 0.538 0.000 1.066 538 V CB -0.748 31.538 31.823 0.772 0.000 0.667 538 V HN 0.314 nan 8.190 nan 0.000 0.461 539 W N 1.889 123.376 121.300 0.312 0.000 2.480 539 W HA -0.075 4.583 4.660 -0.002 0.000 0.299 539 W C 2.506 179.186 176.519 0.269 0.000 1.187 539 W CA 1.922 59.418 57.345 0.252 0.000 1.347 539 W CB 0.023 29.552 29.460 0.114 0.000 1.121 539 W HN 0.529 nan 8.180 nan 0.000 0.533 540 S N -0.805 115.057 115.700 0.271 0.000 2.502 540 S HA 0.055 4.524 4.470 -0.002 0.000 0.215 540 S C 0.350 175.001 174.600 0.086 0.000 1.009 540 S CA 0.217 58.475 58.200 0.096 0.000 0.908 540 S CB -0.055 63.249 63.200 0.174 0.000 0.801 540 S HN 0.188 nan 8.310 nan 0.000 0.505 541 N N 2.144 120.893 118.700 0.082 0.000 2.639 541 N HA 0.355 5.094 4.740 -0.002 0.000 0.265 541 N C -3.175 172.294 175.510 -0.068 0.000 1.689 541 N CA -1.403 51.645 53.050 -0.002 0.000 0.813 541 N CB 1.213 39.706 38.487 0.009 0.000 1.353 541 N HN 0.177 nan 8.380 nan 0.000 0.510 542 P HA 0.133 nan 4.420 nan 0.000 0.272 542 P C -0.462 176.711 177.300 -0.212 0.000 1.240 542 P CA -0.184 62.793 63.100 -0.204 0.000 0.791 542 P CB 0.970 32.357 31.700 -0.522 0.000 0.978 543 R N 2.049 122.437 120.500 -0.185 0.000 2.446 543 R HA 0.036 4.375 4.340 -0.002 0.000 0.314 543 R C -1.438 174.781 176.300 -0.135 0.000 1.003 543 R CA -0.903 55.103 56.100 -0.157 0.000 1.018 543 R CB -0.471 29.733 30.300 -0.160 0.000 0.945 543 R HN 0.412 nan 8.270 nan 0.000 0.419 544 P HA -0.196 nan 4.420 nan 0.000 0.215 544 P C 0.897 178.140 177.300 -0.094 0.000 1.153 544 P CA 1.337 64.359 63.100 -0.131 0.000 0.853 544 P CB 0.213 31.861 31.700 -0.087 0.000 0.788 545 A N -0.404 122.386 122.820 -0.049 0.000 2.015 545 A HA -0.182 4.137 4.320 -0.002 0.000 0.219 545 A C 1.869 179.457 177.584 0.005 0.000 1.163 545 A CA 1.829 53.857 52.037 -0.016 0.000 0.646 545 A CB -1.185 17.817 19.000 0.003 0.000 0.806 545 A HN 0.087 nan 8.150 nan 0.000 0.448 546 D N 0.059 120.473 120.400 0.024 0.000 2.123 546 D HA 0.044 4.683 4.640 -0.002 0.000 0.200 546 D C 2.253 178.637 176.300 0.140 0.000 0.976 546 D CA 1.374 55.441 54.000 0.112 0.000 0.831 546 D CB -0.411 40.502 40.800 0.188 0.000 0.974 546 D HN 0.394 nan 8.370 nan 0.000 0.469 547 A N 1.167 123.911 122.820 -0.127 0.000 1.873 547 A HA -0.022 4.297 4.320 -0.002 0.000 0.215 547 A C 2.306 179.808 177.584 -0.136 0.000 1.186 547 A CA 2.180 53.861 52.037 -0.593 0.000 0.616 547 A CB -0.770 17.580 19.000 -1.083 0.000 0.823 547 A HN 0.221 nan 8.150 nan 0.000 0.442 548 A N -0.873 121.907 122.820 -0.068 0.000 1.902 548 A HA -0.227 4.092 4.320 -0.002 0.000 0.217 548 A C 2.211 179.818 177.584 0.037 0.000 1.181 548 A CA 1.823 53.865 52.037 0.008 0.000 0.623 548 A CB -0.617 18.378 19.000 -0.008 0.000 0.818 548 A HN 0.664 nan 8.150 nan 0.000 0.443 549 Q N -2.015 117.811 119.800 0.043 0.000 2.124 549 Q HA -0.239 4.100 4.340 -0.002 0.000 0.202 549 Q C 1.914 177.954 176.000 0.066 0.000 0.977 549 Q CA 1.972 57.799 55.803 0.040 0.000 0.850 549 Q CB -0.304 28.447 28.738 0.022 0.000 0.901 549 Q HN 0.760 nan 8.270 nan 0.000 0.429 550 Y N 0.686 121.000 120.300 0.024 0.000 2.181 550 Y HA -0.194 4.355 4.550 -0.001 0.000 0.288 550 Y C 1.809 177.743 175.900 0.056 0.000 1.146 550 Y CA 1.553 59.689 58.100 0.061 0.000 1.164 550 Y CB -0.101 38.444 38.460 0.141 0.000 0.982 550 Y HN 0.101 nan 8.280 nan 0.000 0.515 551 L N -0.868 120.418 121.223 0.104 0.000 2.141 551 L HA -0.172 4.167 4.340 -0.002 0.000 0.209 551 L C 2.694 179.522 176.870 -0.070 0.000 1.094 551 L CA 0.921 55.774 54.840 0.023 0.000 0.763 551 L CB -0.919 41.204 42.059 0.108 0.000 0.908 551 L HN 0.303 nan 8.230 nan 0.000 0.437 552 A N 1.317 124.108 122.820 -0.048 0.000 1.877 552 A HA -0.220 4.099 4.320 -0.002 0.000 0.216 552 A C 1.565 179.097 177.584 -0.086 0.000 1.186 552 A CA 2.101 54.108 52.037 -0.051 0.000 0.620 552 A CB -0.485 18.500 19.000 -0.024 0.000 0.822 552 A HN 0.760 nan 8.150 nan 0.000 0.443 553 N N -4.015 114.608 118.700 -0.128 0.000 2.036 553 N HA 0.195 4.934 4.740 -0.002 0.000 0.224 553 N C -0.505 174.886 175.510 -0.199 0.000 1.381 553 N CA 0.230 53.202 53.050 -0.130 0.000 0.746 553 N CB 0.354 38.804 38.487 -0.062 0.000 1.213 553 N HN 0.050 nan 8.380 nan 0.000 0.524 554 Q N 0.652 120.210 119.800 -0.402 0.000 2.487 554 Q HA -0.176 4.163 4.340 -0.002 0.000 0.279 554 Q C -0.781 175.130 176.000 -0.148 0.000 1.228 554 Q CA 1.182 56.600 55.803 -0.642 0.000 0.873 554 Q CB -2.187 26.211 28.738 -0.567 0.000 1.260 554 Q HN 0.758 nan 8.270 nan 0.000 0.471 555 S N -1.999 113.665 115.700 -0.059 0.000 2.704 555 S HA 0.939 5.408 4.470 -0.002 0.000 0.305 555 S C 0.693 175.230 174.600 -0.106 0.000 1.107 555 S CA -0.024 58.169 58.200 -0.012 0.000 0.993 555 S CB 2.557 65.761 63.200 0.007 0.000 1.110 555 S HN 1.358 nan 8.310 nan 0.000 0.534 556 G N -0.084 108.386 108.800 -0.550 0.000 2.526 556 G HA2 -0.136 3.822 3.960 -0.002 0.000 0.250 556 G HA3 -0.136 3.822 3.960 -0.002 0.000 0.250 556 G C 0.350 174.847 174.900 -0.671 0.000 1.289 556 G CA -0.326 44.080 45.100 -1.156 0.000 0.947 556 G HN 1.438 nan 8.290 nan 0.000 0.517 557 V N -0.088 119.533 119.914 -0.489 0.000 2.324 557 V HA -0.152 3.967 4.120 -0.002 0.000 0.250 557 V C 2.574 178.497 176.094 -0.286 0.000 1.060 557 V CA 3.083 65.189 62.300 -0.323 0.000 1.042 557 V CB -0.788 30.735 31.823 -0.500 0.000 0.650 557 V HN 0.508 nan 8.190 nan 0.000 0.450 558 F N 0.305 120.180 119.950 -0.124 0.000 2.604 558 F HA 0.113 4.639 4.527 -0.002 0.000 0.298 558 F C 2.188 177.798 175.800 -0.318 0.000 1.131 558 F CA 0.794 58.643 58.000 -0.251 0.000 1.457 558 F CB -0.547 38.159 39.000 -0.490 0.000 1.095 558 F HN 0.096 nan 8.300 nan 0.000 0.574 559 A N -0.182 122.682 122.820 0.074 0.000 2.206 559 A HA 0.380 4.699 4.320 -0.002 0.000 0.211 559 A C 1.452 179.021 177.584 -0.026 0.000 1.158 559 A CA 0.873 52.983 52.037 0.122 0.000 0.761 559 A CB -0.862 18.258 19.000 0.200 0.000 0.801 559 A HN 0.250 nan 8.150 nan 0.000 0.473 560 G N -1.955 106.808 108.800 -0.062 0.000 2.498 560 G HA2 0.592 4.551 3.960 -0.002 0.000 0.312 560 G HA3 0.592 4.551 3.960 -0.002 0.000 0.312 560 G C -0.058 174.725 174.900 -0.196 0.000 1.230 560 G CA 0.017 45.023 45.100 -0.157 0.000 0.968 560 G HN 0.504 nan 8.290 nan 0.000 0.481 561 A N 0.159 122.758 122.820 -0.367 0.000 2.336 561 A HA 0.584 4.903 4.320 -0.002 0.000 0.278 561 A C 2.046 179.599 177.584 -0.050 0.000 1.371 561 A CA 0.686 52.619 52.037 -0.174 0.000 0.842 561 A CB -0.020 18.860 19.000 -0.199 0.000 1.363 561 A HN 1.490 nan 8.150 nan 0.000 0.517 562 S N -0.886 114.769 115.700 -0.076 0.000 2.406 562 S HA 0.033 4.502 4.470 -0.002 0.000 0.228 562 S C -1.784 172.973 174.600 0.261 0.000 1.020 562 S CA 0.341 58.522 58.200 -0.031 0.000 0.965 562 S CB -1.620 61.380 63.200 -0.334 0.000 0.798 562 S HN 0.480 nan 8.310 nan 0.000 0.488 563 P HA 0.217 nan 4.420 nan 0.000 0.268 563 P C 0.337 177.881 177.300 0.406 0.000 1.205 563 P CA -0.061 63.248 63.100 0.349 0.000 0.771 563 P CB 0.693 32.581 31.700 0.313 0.000 0.858 564 K N 1.794 122.413 120.400 0.366 0.000 2.462 564 K HA 0.283 4.601 4.320 -0.002 0.000 0.201 564 K C 0.331 177.231 176.600 0.501 0.000 1.268 564 K CA 0.257 56.796 56.287 0.419 0.000 0.933 564 K CB 0.491 33.221 32.500 0.383 0.000 1.162 564 K HN 0.331 nan 8.250 nan 0.000 0.527 565 L N 1.424 122.886 121.223 0.398 0.000 2.401 565 L HA 0.461 4.799 4.340 -0.002 0.000 0.266 565 L C -1.700 175.302 176.870 0.219 0.000 0.991 565 L CA -0.569 54.495 54.840 0.374 0.000 0.818 565 L CB 1.967 44.121 42.059 0.157 0.000 1.321 565 L HN -0.027 nan 8.230 nan 0.000 0.413 566 N N 3.695 122.497 118.700 0.171 0.000 2.240 566 N HA 0.642 5.381 4.740 -0.002 0.000 0.302 566 N C -1.645 173.719 175.510 -0.243 0.000 1.106 566 N CA -0.187 52.739 53.050 -0.206 0.000 0.778 566 N CB 2.549 40.846 38.487 -0.317 0.000 1.431 566 N HN 0.504 nan 8.380 nan 0.000 0.479 567 F N -1.294 118.220 119.950 -0.726 0.000 2.645 567 F HA 0.751 5.276 4.527 -0.002 0.000 0.310 567 F C -1.814 173.656 175.800 -0.549 0.000 1.102 567 F CA -1.034 56.737 58.000 -0.382 0.000 0.952 567 F CB 1.602 40.482 39.000 -0.200 0.000 1.326 567 F HN 0.301 nan 8.300 nan 0.000 0.456 568 W N 1.637 123.143 121.300 0.344 0.000 3.033 568 W HA 0.709 5.368 4.660 -0.001 0.000 0.336 568 W C -1.020 175.660 176.519 0.269 0.000 1.173 568 W CA -0.968 56.529 57.345 0.252 0.000 1.185 568 W CB 2.646 32.191 29.460 0.142 0.000 1.425 568 W HN 0.839 nan 8.180 nan 0.000 0.536 569 R N 0.979 121.709 120.500 0.384 0.000 2.594 569 R HA 0.582 4.921 4.340 -0.002 0.000 0.265 569 R C -1.411 174.705 176.300 -0.306 0.000 1.070 569 R CA -0.408 55.654 56.100 -0.064 0.000 0.909 569 R CB 1.848 32.057 30.300 -0.151 0.000 1.243 569 R HN 0.547 nan 8.270 nan 0.000 0.455 570 A N 3.040 125.488 122.820 -0.621 0.000 2.303 570 A HA 0.666 4.985 4.320 -0.002 0.000 0.317 570 A C -1.595 175.638 177.584 -0.586 0.000 1.149 570 A CA -0.266 51.303 52.037 -0.781 0.000 0.822 570 A CB 0.596 19.136 19.000 -0.766 0.000 1.131 570 A HN 0.602 nan 8.150 nan 0.000 0.493 571 Y N 0.346 120.538 120.300 -0.180 0.000 2.442 571 Y HA 0.405 4.954 4.550 -0.001 0.000 0.344 571 Y C 0.673 176.562 175.900 -0.019 0.000 0.976 571 Y CA -0.263 57.803 58.100 -0.057 0.000 1.040 571 Y CB 2.368 40.818 38.460 -0.017 0.000 1.228 571 Y HN 0.658 nan 8.280 nan 0.000 0.451 572 S N 1.145 116.916 115.700 0.118 0.000 2.585 572 S HA 0.532 5.001 4.470 -0.002 0.000 0.273 572 S C 0.244 174.923 174.600 0.133 0.000 1.339 572 S CA -0.282 57.977 58.200 0.097 0.000 1.028 572 S CB 0.646 63.882 63.200 0.060 0.000 0.906 572 S HN 0.855 nan 8.310 nan 0.000 0.528 573 G N 0.333 109.206 108.800 0.121 0.000 2.452 573 G HA2 0.431 4.390 3.960 -0.002 0.000 0.324 573 G HA3 0.431 4.390 3.960 -0.002 0.000 0.324 573 G C 0.787 175.744 174.900 0.094 0.000 1.214 573 G CA -0.465 44.712 45.100 0.129 0.000 0.947 573 G HN 0.710 nan 8.290 nan 0.000 0.478 574 S N 0.385 116.135 115.700 0.084 0.000 2.442 574 S HA -0.156 4.313 4.470 -0.002 0.000 0.236 574 S C 1.354 175.991 174.600 0.063 0.000 1.007 574 S CA 1.707 59.944 58.200 0.061 0.000 0.965 574 S CB -0.092 63.139 63.200 0.053 0.000 0.773 574 S HN 0.616 nan 8.310 nan 0.000 0.504 575 D N -0.134 120.330 120.400 0.106 0.000 2.328 575 D HA 0.312 4.951 4.640 -0.002 0.000 0.221 575 D C 1.410 177.726 176.300 0.026 0.000 1.072 575 D CA 0.523 54.599 54.000 0.128 0.000 0.850 575 D CB -0.485 40.468 40.800 0.254 0.000 0.922 575 D HN 0.567 nan 8.370 nan 0.000 0.516 576 G N -0.606 108.180 108.800 -0.023 0.000 2.213 576 G HA2 -0.238 3.721 3.960 -0.002 0.000 0.236 576 G HA3 -0.238 3.721 3.960 -0.002 0.000 0.236 576 G C -0.130 174.609 174.900 -0.270 0.000 0.991 576 G CA -0.192 44.796 45.100 -0.188 0.000 0.629 576 G HN 0.284 nan 8.290 nan 0.000 0.517 577 F N 2.453 122.426 119.950 0.039 0.000 2.405 577 F HA 0.553 5.079 4.527 -0.002 0.000 0.355 577 F C 1.038 176.874 175.800 0.060 0.000 1.121 577 F CA -0.302 57.724 58.000 0.044 0.000 1.112 577 F CB 1.615 40.643 39.000 0.046 0.000 1.126 577 F HN -0.102 nan 8.300 nan 0.000 0.481 578 T N 4.790 119.478 114.554 0.223 0.000 2.870 578 T HA 0.340 4.689 4.350 -0.002 0.000 0.300 578 T C 0.290 175.124 174.700 0.223 0.000 0.989 578 T CA -0.281 61.926 62.100 0.178 0.000 1.139 578 T CB 0.211 69.160 68.868 0.136 0.000 0.920 578 T HN 0.453 nan 8.240 nan 0.000 0.537 579 R N 1.594 122.214 120.500 0.200 0.000 2.732 579 R HA 0.488 4.827 4.340 -0.002 0.000 0.278 579 R C -1.197 175.229 176.300 0.210 0.000 0.976 579 R CA -0.754 55.484 56.100 0.231 0.000 0.963 579 R CB 1.341 31.754 30.300 0.188 0.000 1.150 579 R HN 0.537 nan 8.270 nan 0.000 0.478 580 Y N 0.367 120.789 120.300 0.203 0.000 2.342 580 Y HA 0.489 5.038 4.550 -0.002 0.000 0.334 580 Y C 0.242 176.291 175.900 0.247 0.000 1.067 580 Y CA -0.412 57.834 58.100 0.243 0.000 1.128 580 Y CB 1.994 40.581 38.460 0.212 0.000 1.200 580 Y HN 0.648 nan 8.280 nan 0.000 0.464 581 A N 3.625 126.667 122.820 0.370 0.000 2.295 581 A HA 0.636 4.955 4.320 -0.002 0.000 0.318 581 A C -0.870 176.837 177.584 0.204 0.000 1.134 581 A CA -0.635 51.554 52.037 0.253 0.000 0.827 581 A CB 1.153 20.288 19.000 0.224 0.000 1.136 581 A HN 0.740 nan 8.150 nan 0.000 0.493 582 Q N 0.775 120.571 119.800 -0.007 0.000 2.372 582 Q HA 0.572 4.911 4.340 -0.002 0.000 0.273 582 Q C -0.454 175.183 176.000 -0.605 0.000 1.078 582 Q CA -0.639 54.876 55.803 -0.481 0.000 0.806 582 Q CB 2.111 30.603 28.738 -0.410 0.000 1.332 582 Q HN 0.956 nan 8.270 nan 0.000 0.435 583 G N 1.115 109.060 108.800 -1.424 0.000 2.420 583 G HA2 0.602 4.561 3.960 -0.002 0.000 0.331 583 G HA3 0.602 4.561 3.960 -0.002 0.000 0.331 583 G C -1.076 173.403 174.900 -0.701 0.000 1.168 583 G CA -0.278 44.016 45.100 -1.344 0.000 0.936 583 G HN 0.471 nan 8.290 nan 0.000 0.479 584 T N 0.967 115.403 114.554 -0.197 0.000 2.840 584 T HA 0.454 4.803 4.350 -0.002 0.000 0.287 584 T C -0.313 174.457 174.700 0.116 0.000 0.991 584 T CA -0.260 61.857 62.100 0.028 0.000 0.964 584 T CB 1.571 70.571 68.868 0.220 0.000 0.954 584 T HN 0.346 nan 8.240 nan 0.000 0.438 585 V N 5.268 125.285 119.914 0.171 0.000 2.427 585 V HA 0.740 4.859 4.120 -0.002 0.000 0.286 585 V C 0.124 176.384 176.094 0.276 0.000 1.034 585 V CA -0.841 61.604 62.300 0.242 0.000 0.893 585 V CB 1.307 33.246 31.823 0.193 0.000 0.982 585 V HN 0.910 nan 8.190 nan 0.000 0.452 586 R N 4.632 125.330 120.500 0.331 0.000 2.707 586 R HA 0.641 4.980 4.340 -0.002 0.000 0.272 586 R C -3.264 173.293 176.300 0.428 0.000 1.011 586 R CA -1.836 54.481 56.100 0.361 0.000 0.893 586 R CB 2.358 32.864 30.300 0.344 0.000 1.233 586 R HN 0.407 nan 8.270 nan 0.000 0.464 587 P HA 0.254 nan 4.420 nan 0.000 0.275 587 P C 0.098 177.715 177.300 0.528 0.000 1.228 587 P CA 0.840 64.197 63.100 0.428 0.000 0.786 587 P CB 1.140 33.020 31.700 0.300 0.000 0.927 588 G N 0.591 109.635 108.800 0.406 0.000 2.795 588 G HA2 0.322 4.281 3.960 -0.002 0.000 0.664 588 G HA3 0.322 4.281 3.960 -0.002 0.000 0.664 588 G C -1.229 173.855 174.900 0.307 0.000 1.381 588 G CA -0.269 45.058 45.100 0.378 0.000 0.853 588 G HN 0.766 nan 8.290 nan 0.000 0.545 589 A N -1.208 121.754 122.820 0.238 0.000 2.566 589 A HA 1.013 5.332 4.320 -0.002 0.000 0.297 589 A C 0.672 178.327 177.584 0.118 0.000 1.059 589 A CA 0.775 52.898 52.037 0.143 0.000 0.691 589 A CB 1.037 20.075 19.000 0.062 0.000 1.282 589 A HN 2.574 nan 8.150 nan 0.000 0.401 590 A N 0.715 123.576 122.820 0.068 0.000 1.968 590 A HA 0.459 4.777 4.320 -0.002 0.000 0.217 590 A C 1.164 178.762 177.584 0.024 0.000 1.169 590 A CA 1.786 53.847 52.037 0.040 0.000 0.638 590 A CB -0.156 18.832 19.000 -0.021 0.000 0.812 590 A HN 1.872 nan 8.150 nan 0.000 0.446 591 S N -1.351 114.349 115.700 -0.001 0.000 2.572 591 S HA 0.562 5.031 4.470 -0.002 0.000 0.274 591 S C -1.544 173.030 174.600 -0.044 0.000 1.150 591 S CA -0.464 57.722 58.200 -0.023 0.000 0.944 591 S CB 1.572 64.734 63.200 -0.063 0.000 1.071 591 S HN 0.347 nan 8.310 nan 0.000 0.479 592 V N 4.452 124.339 119.914 -0.044 0.000 2.638 592 V HA 0.575 4.694 4.120 -0.002 0.000 0.306 592 V C -0.666 175.385 176.094 -0.072 0.000 1.052 592 V CA -0.880 61.353 62.300 -0.112 0.000 0.885 592 V CB 1.973 33.690 31.823 -0.177 0.000 0.999 592 V HN 0.870 nan 8.190 nan 0.000 0.424 593 N N 2.497 121.137 118.700 -0.100 0.000 2.841 593 N HA 0.288 5.027 4.740 -0.002 0.000 0.257 593 N C -0.941 174.520 175.510 -0.082 0.000 1.396 593 N CA 0.051 53.067 53.050 -0.057 0.000 0.823 593 N CB 1.333 39.804 38.487 -0.026 0.000 1.162 593 N HN 0.622 nan 8.380 nan 0.000 0.503 594 S N 0.625 116.291 115.700 -0.057 0.000 2.454 594 S HA 0.353 4.821 4.470 -0.002 0.000 0.306 594 S C 1.030 175.642 174.600 0.021 0.000 1.100 594 S CA -0.465 57.705 58.200 -0.049 0.000 1.087 594 S CB 0.721 63.880 63.200 -0.070 0.000 1.019 594 S HN 0.466 nan 8.310 nan 0.000 0.480 595 S N 4.674 120.374 115.700 -0.001 0.000 2.558 595 S HA 0.303 4.772 4.470 -0.002 0.000 0.217 595 S C 0.347 174.962 174.600 0.025 0.000 0.975 595 S CA -0.151 58.056 58.200 0.011 0.000 0.912 595 S CB -0.485 62.712 63.200 -0.005 0.000 0.776 595 S HN 0.612 nan 8.310 nan 0.000 0.526 596 L N 1.412 122.658 121.223 0.040 0.000 2.330 596 L HA 0.587 4.926 4.340 -0.002 0.000 0.271 596 L C -2.626 174.307 176.870 0.105 0.000 1.013 596 L CA -2.822 52.047 54.840 0.049 0.000 0.816 596 L CB 1.390 43.467 42.059 0.030 0.000 1.287 596 L HN -0.090 nan 8.230 nan 0.000 0.435 597 P HA 0.138 nan 4.420 nan 0.000 0.269 597 P C -1.722 175.662 177.300 0.141 0.000 1.215 597 P CA 0.177 63.309 63.100 0.052 0.000 0.780 597 P CB 0.321 32.022 31.700 0.001 0.000 0.898 598 Y N -1.230 119.064 120.300 -0.011 0.000 2.624 598 Y HA 0.497 5.045 4.550 -0.004 0.000 0.334 598 Y C -0.996 174.906 175.900 0.004 0.000 1.155 598 Y CA -1.453 56.643 58.100 -0.006 0.000 1.046 598 Y CB 0.926 39.378 38.460 -0.014 0.000 1.316 598 Y HN 0.120 nan 8.280 nan 0.000 0.457 599 N N 1.521 120.290 118.700 0.116 0.000 2.406 599 N HA 0.286 5.024 4.740 -0.002 0.000 0.251 599 N C 0.516 176.118 175.510 0.153 0.000 1.069 599 N CA 0.601 53.673 53.050 0.036 0.000 0.947 599 N CB 1.760 40.284 38.487 0.061 0.000 1.111 599 N HN 0.980 nan 8.380 nan 0.000 0.497 600 A N 2.797 125.625 122.820 0.013 0.000 2.172 600 A HA -0.040 4.279 4.320 -0.002 0.000 0.216 600 A C 1.756 179.431 177.584 0.152 0.000 1.154 600 A CA 0.828 52.969 52.037 0.173 0.000 0.701 600 A CB -0.073 18.955 19.000 0.047 0.000 0.789 600 A HN 0.645 nan 8.150 nan 0.000 0.465 601 S N -0.347 115.411 115.700 0.096 0.000 2.561 601 S HA -0.023 4.446 4.470 -0.002 0.000 0.225 601 S C 1.291 175.968 174.600 0.127 0.000 0.977 601 S CA 0.593 58.843 58.200 0.084 0.000 0.926 601 S CB 0.000 63.227 63.200 0.045 0.000 0.769 601 S HN 0.756 nan 8.310 nan 0.000 0.533 602 Q N 0.828 120.732 119.800 0.173 0.000 2.179 602 Q HA 0.309 4.648 4.340 -0.002 0.000 0.213 602 Q C 0.159 176.333 176.000 0.291 0.000 0.833 602 Q CA -0.175 55.756 55.803 0.214 0.000 0.990 602 Q CB 0.326 29.179 28.738 0.191 0.000 1.132 602 Q HN 0.644 nan 8.270 nan 0.000 0.493 603 I N -1.113 119.616 120.570 0.264 0.000 2.519 603 I HA 0.537 4.706 4.170 -0.002 0.000 0.287 603 I C -0.421 175.911 176.117 0.359 0.000 1.047 603 I CA -0.894 60.548 61.300 0.237 0.000 1.381 603 I CB 0.404 38.495 38.000 0.151 0.000 1.417 603 I HN -0.117 nan 8.210 nan 0.000 0.540 604 F N 1.965 122.021 119.950 0.177 0.000 2.645 604 F HA 0.778 5.305 4.527 -0.000 0.000 0.310 604 F C -1.021 174.917 175.800 0.229 0.000 1.102 604 F CA -0.723 57.396 58.000 0.199 0.000 0.952 604 F CB 1.556 40.662 39.000 0.176 0.000 1.326 604 F HN 0.419 nan 8.300 nan 0.000 0.456 605 T N 3.107 117.855 114.554 0.324 0.000 2.829 605 T HA 0.648 4.997 4.350 -0.002 0.000 0.280 605 T C -0.568 174.315 174.700 0.304 0.000 0.999 605 T CA -0.463 61.758 62.100 0.202 0.000 0.983 605 T CB 1.434 70.398 68.868 0.161 0.000 0.968 605 T HN 0.560 nan 8.240 nan 0.000 0.446 606 I N 2.787 123.516 120.570 0.266 0.000 2.382 606 I HA 0.271 4.440 4.170 -0.002 0.000 0.285 606 I C 0.175 176.339 176.117 0.079 0.000 1.007 606 I CA -0.680 60.760 61.300 0.232 0.000 1.142 606 I CB 1.523 39.706 38.000 0.306 0.000 1.289 606 I HN 0.497 nan 8.210 nan 0.000 0.453 607 T N 5.906 120.445 114.554 -0.025 0.000 2.743 607 T HA 0.346 4.695 4.350 -0.002 0.000 0.293 607 T C 0.053 174.505 174.700 -0.412 0.000 0.945 607 T CA -0.354 61.599 62.100 -0.245 0.000 1.030 607 T CB 1.315 69.985 68.868 -0.330 0.000 0.912 607 T HN 0.183 nan 8.240 nan 0.000 0.483 608 V N 5.131 124.801 119.914 -0.408 0.000 2.370 608 V HA 0.443 4.562 4.120 -0.002 0.000 0.283 608 V C -0.865 174.982 176.094 -0.411 0.000 1.023 608 V CA -0.834 61.274 62.300 -0.321 0.000 0.857 608 V CB 0.286 32.024 31.823 -0.142 0.000 0.985 608 V HN 0.776 nan 8.190 nan 0.000 0.443 609 Y N 4.106 124.334 120.300 -0.120 0.000 2.567 609 Y HA 0.724 5.274 4.550 -0.001 0.000 0.333 609 Y C 0.079 175.965 175.900 -0.023 0.000 1.106 609 Y CA -1.028 57.035 58.100 -0.062 0.000 1.157 609 Y CB 1.482 39.931 38.460 -0.019 0.000 1.277 609 Y HN 0.372 nan 8.280 nan 0.000 0.490 610 L N 0.915 122.251 121.223 0.188 0.000 2.330 610 L HA 0.613 4.952 4.340 -0.002 0.000 0.271 610 L C 0.231 177.222 176.870 0.201 0.000 1.013 610 L CA -0.322 54.619 54.840 0.168 0.000 0.816 610 L CB 1.993 44.114 42.059 0.103 0.000 1.287 610 L HN 0.943 nan 8.230 nan 0.000 0.435 611 S N -0.985 114.852 115.700 0.228 0.000 4.167 611 S HA 0.168 4.637 4.470 -0.002 0.000 0.168 611 S C 0.270 175.039 174.600 0.282 0.000 1.032 611 S CA -0.312 58.019 58.200 0.219 0.000 1.146 611 S CB 0.287 63.606 63.200 0.198 0.000 1.888 611 S HN 0.458 nan 8.310 nan 0.000 0.844 612 T N 1.973 116.677 114.554 0.251 0.000 2.923 612 T HA 0.435 4.784 4.350 -0.002 0.000 0.304 612 T C 1.372 176.190 174.700 0.198 0.000 1.044 612 T CA 1.518 63.724 62.100 0.177 0.000 1.141 612 T CB -0.068 68.852 68.868 0.088 0.000 1.023 612 T HN 1.687 nan 8.240 nan 0.000 0.533 613 G N 2.547 111.329 108.800 -0.030 0.000 2.253 613 G HA2 -0.269 3.690 3.960 -0.002 0.000 0.251 613 G HA3 -0.269 3.690 3.960 -0.002 0.000 0.251 613 G C 0.370 175.310 174.900 0.067 0.000 0.998 613 G CA 0.098 45.210 45.100 0.019 0.000 0.621 613 G HN 1.078 nan 8.290 nan 0.000 0.524 614 I N -1.618 119.088 120.570 0.226 0.000 2.813 614 I HA 0.437 4.606 4.170 -0.002 0.000 0.287 614 I C 1.141 177.278 176.117 0.033 0.000 1.196 614 I CA -0.045 61.321 61.300 0.111 0.000 1.421 614 I CB 0.574 38.622 38.000 0.079 0.000 1.365 614 I HN -0.047 nan 8.210 nan 0.000 0.591 615 Q N 2.955 122.696 119.800 -0.097 0.000 2.352 615 Q HA 0.219 4.558 4.340 -0.002 0.000 0.212 615 Q C 0.434 176.363 176.000 -0.118 0.000 0.888 615 Q CA 0.144 55.843 55.803 -0.173 0.000 0.934 615 Q CB 0.353 28.952 28.738 -0.231 0.000 1.093 615 Q HN 0.817 nan 8.270 nan 0.000 0.523 616 S N 1.910 117.554 115.700 -0.093 0.000 2.549 616 S HA 0.197 4.666 4.470 -0.002 0.000 0.286 616 S C 0.217 174.733 174.600 -0.141 0.000 1.314 616 S CA 0.150 58.291 58.200 -0.099 0.000 1.062 616 S CB 0.558 63.708 63.200 -0.082 0.000 0.865 616 S HN 0.076 nan 8.310 nan 0.000 0.498 617 R N 0.979 121.400 120.500 -0.131 0.000 2.725 617 R HA 0.671 5.010 4.340 -0.002 0.000 0.277 617 R C 0.302 176.520 176.300 -0.136 0.000 0.987 617 R CA -0.612 55.404 56.100 -0.140 0.000 0.901 617 R CB 1.760 31.994 30.300 -0.110 0.000 1.207 617 R HN 0.762 nan 8.270 nan 0.000 0.463 618 G N 0.453 109.167 108.800 -0.144 0.000 3.262 618 G HA2 0.661 4.620 3.960 -0.002 0.000 0.229 618 G HA3 0.661 4.620 3.960 -0.002 0.000 0.229 618 G C -1.226 173.623 174.900 -0.086 0.000 1.280 618 G CA -0.452 44.571 45.100 -0.129 0.000 0.951 618 G HN 0.344 nan 8.290 nan 0.000 0.589 619 R N -0.609 119.848 120.500 -0.072 0.000 2.584 619 R HA 0.534 4.873 4.340 -0.002 0.000 0.276 619 R C -1.115 175.144 176.300 -0.069 0.000 1.046 619 R CA -0.647 55.416 56.100 -0.061 0.000 0.906 619 R CB 1.711 31.981 30.300 -0.049 0.000 1.215 619 R HN 0.700 nan 8.270 nan 0.000 0.449 620 I N 0.247 120.750 120.570 -0.111 0.000 2.797 620 I HA 0.968 5.136 4.170 -0.002 0.000 0.307 620 I C -0.208 175.900 176.117 -0.015 0.000 1.033 620 I CA -0.610 60.601 61.300 -0.148 0.000 1.071 620 I CB 2.460 40.122 38.000 -0.564 0.000 1.255 620 I HN 0.761 nan 8.210 nan 0.000 0.445 621 G N 3.520 112.376 108.800 0.093 0.000 2.474 621 G HA2 0.429 4.388 3.960 -0.002 0.000 0.234 621 G HA3 0.429 4.388 3.960 -0.002 0.000 0.234 621 G C -1.350 173.711 174.900 0.268 0.000 1.204 621 G CA -0.496 44.775 45.100 0.285 0.000 0.939 621 G HN 0.987 nan 8.290 nan 0.000 0.491 622 I N -0.760 119.924 120.570 0.189 0.000 2.846 622 I HA 0.793 4.962 4.170 -0.002 0.000 0.307 622 I C -0.727 175.401 176.117 0.019 0.000 1.053 622 I CA -1.105 60.269 61.300 0.123 0.000 1.050 622 I CB 2.295 40.392 38.000 0.163 0.000 1.239 622 I HN 0.605 nan 8.210 nan 0.000 0.439 623 D N 3.017 123.425 120.400 0.013 0.000 2.564 623 D HA 0.458 5.097 4.640 -0.002 0.000 0.273 623 D C 0.981 177.271 176.300 -0.016 0.000 1.192 623 D CA -0.451 53.541 54.000 -0.012 0.000 1.080 623 D CB 1.010 41.803 40.800 -0.011 0.000 1.160 623 D HN 0.660 nan 8.370 nan 0.000 0.607 624 A N -0.629 122.179 122.820 -0.021 0.000 2.070 624 A HA 0.136 4.455 4.320 -0.002 0.000 0.220 624 A C 1.931 179.509 177.584 -0.011 0.000 1.159 624 A CA 1.779 53.804 52.037 -0.019 0.000 0.656 624 A CB -1.126 17.863 19.000 -0.018 0.000 0.800 624 A HN 0.661 nan 8.150 nan 0.000 0.453 625 A N -1.055 121.761 122.820 -0.008 0.000 2.278 625 A HA 0.491 4.810 4.320 -0.002 0.000 0.212 625 A C 1.008 178.594 177.584 0.003 0.000 1.213 625 A CA 0.415 52.449 52.037 -0.005 0.000 0.840 625 A CB -0.657 18.337 19.000 -0.009 0.000 0.866 625 A HN 0.855 nan 8.150 nan 0.000 0.489 626 L N -1.659 119.570 121.223 0.010 0.000 4.232 626 L HA -0.234 4.105 4.340 -0.002 0.000 0.415 626 L C 0.172 177.062 176.870 0.033 0.000 1.168 626 L CA 0.287 55.145 54.840 0.029 0.000 0.966 626 L CB -1.786 40.289 42.059 0.027 0.000 2.052 626 L HN 0.511 nan 8.230 nan 0.000 0.887 627 R N 0.859 121.369 120.500 0.017 0.000 2.390 627 R HA 0.447 4.786 4.340 -0.002 0.000 0.291 627 R C 0.962 177.278 176.300 0.026 0.000 1.070 627 R CA 0.313 56.416 56.100 0.003 0.000 1.014 627 R CB 0.725 31.010 30.300 -0.026 0.000 1.007 627 R HN 0.159 nan 8.270 nan 0.000 0.466 628 G N 1.279 110.091 108.800 0.020 0.000 2.334 628 G HA2 0.144 4.103 3.960 -0.002 0.000 0.261 628 G HA3 0.144 4.103 3.960 -0.002 0.000 0.261 628 G C -0.334 174.538 174.900 -0.047 0.000 1.257 628 G CA 0.290 45.443 45.100 0.089 0.000 0.935 628 G HN 0.409 nan 8.290 nan 0.000 0.480 629 T N 0.778 115.404 114.554 0.121 0.000 2.883 629 T HA 0.377 4.726 4.350 -0.002 0.000 0.301 629 T C -0.446 174.349 174.700 0.158 0.000 1.158 629 T CA -0.451 61.677 62.100 0.047 0.000 1.007 629 T CB 1.665 70.538 68.868 0.009 0.000 1.186 629 T HN 0.320 nan 8.240 nan 0.000 0.499 630 V N 5.649 125.615 119.914 0.087 0.000 2.372 630 V HA 0.241 4.360 4.120 -0.002 0.000 0.261 630 V C 1.364 177.485 176.094 0.044 0.000 1.055 630 V CA 0.107 62.453 62.300 0.077 0.000 0.930 630 V CB 0.323 32.234 31.823 0.147 0.000 1.031 630 V HN 0.787 nan 8.190 nan 0.000 0.479 631 L N 3.274 124.507 121.223 0.016 0.000 2.095 631 L HA 0.085 4.424 4.340 -0.002 0.000 0.204 631 L C 0.836 177.702 176.870 -0.007 0.000 1.080 631 L CA 1.100 55.940 54.840 -0.000 0.000 0.759 631 L CB -0.024 42.025 42.059 -0.016 0.000 0.914 631 L HN 0.603 nan 8.230 nan 0.000 0.439 632 T N 0.465 115.005 114.554 -0.023 0.000 2.985 632 T HA 0.319 4.668 4.350 -0.002 0.000 0.315 632 T C -2.535 172.115 174.700 -0.083 0.000 1.001 632 T CA -1.159 60.919 62.100 -0.037 0.000 1.016 632 T CB 1.881 70.720 68.868 -0.048 0.000 0.993 632 T HN -0.243 nan 8.240 nan 0.000 0.454 633 P HA 0.081 nan 4.420 nan 0.000 0.261 633 P C -1.760 175.306 177.300 -0.390 0.000 1.183 633 P CA -0.933 62.031 63.100 -0.227 0.000 0.761 633 P CB 0.352 32.111 31.700 0.097 0.000 0.785 634 P HA 0.015 nan 4.420 nan 0.000 0.255 634 P C -0.453 176.534 177.300 -0.522 0.000 1.248 634 P CA 0.516 63.240 63.100 -0.628 0.000 0.807 634 P CB 0.426 31.709 31.700 -0.694 0.000 1.150 635 W N 1.683 122.973 121.300 -0.017 0.000 2.335 635 W HA 0.321 4.981 4.660 -0.000 0.000 0.306 635 W C 0.988 177.484 176.519 -0.039 0.000 1.216 635 W CA -0.587 56.731 57.345 -0.044 0.000 1.237 635 W CB 0.473 29.905 29.460 -0.047 0.000 1.243 635 W HN -0.139 nan 8.180 nan 0.000 0.493 636 L N 2.078 123.379 121.223 0.130 0.000 3.843 636 L HA -0.339 3.999 4.340 -0.002 0.000 0.411 636 L C 1.115 178.006 176.870 0.036 0.000 1.205 636 L CA -0.265 54.614 54.840 0.066 0.000 0.945 636 L CB -1.834 40.263 42.059 0.062 0.000 1.929 636 L HN 0.321 nan 8.230 nan 0.000 0.934 637 V N -1.433 118.486 119.914 0.008 0.000 2.358 637 V HA -0.124 3.995 4.120 -0.002 0.000 0.246 637 V C 1.618 177.708 176.094 -0.008 0.000 1.047 637 V CA 2.076 64.371 62.300 -0.009 0.000 1.035 637 V CB -0.258 31.541 31.823 -0.041 0.000 0.658 637 V HN 0.652 nan 8.190 nan 0.000 0.452 638 N N 1.435 120.127 118.700 -0.013 0.000 2.470 638 N HA 0.053 4.792 4.740 -0.002 0.000 0.268 638 N C -1.661 173.853 175.510 0.006 0.000 1.136 638 N CA -1.278 51.768 53.050 -0.007 0.000 0.961 638 N CB 2.020 40.495 38.487 -0.020 0.000 1.067 638 N HN 0.110 nan 8.380 nan 0.000 0.468 639 P HA -0.065 nan 4.420 nan 0.000 0.223 639 P C 1.359 178.672 177.300 0.021 0.000 1.151 639 P CA 0.610 63.720 63.100 0.016 0.000 0.787 639 P CB 0.465 32.176 31.700 0.018 0.000 0.788 640 V N 0.799 120.731 119.914 0.030 0.000 2.548 640 V HA -0.158 3.961 4.120 -0.002 0.000 0.249 640 V C 2.125 178.237 176.094 0.030 0.000 1.055 640 V CA 1.884 64.208 62.300 0.041 0.000 1.065 640 V CB -1.274 30.592 31.823 0.070 0.000 0.681 640 V HN 0.033 nan 8.190 nan 0.000 0.462 641 D N 0.366 120.779 120.400 0.021 0.000 2.116 641 D HA -0.219 4.420 4.640 -0.002 0.000 0.193 641 D C 2.144 178.442 176.300 -0.003 0.000 0.998 641 D CA 1.615 55.623 54.000 0.013 0.000 0.836 641 D CB -0.176 40.630 40.800 0.011 0.000 0.951 641 D HN 0.406 nan 8.370 nan 0.000 0.449 642 K N -0.047 120.352 120.400 -0.002 0.000 2.025 642 K HA -0.108 4.210 4.320 -0.002 0.000 0.207 642 K C 1.981 178.569 176.600 -0.019 0.000 1.049 642 K CA 1.479 57.758 56.287 -0.014 0.000 0.933 642 K CB -0.097 32.400 32.500 -0.006 0.000 0.714 642 K HN 0.002 nan 8.250 nan 0.000 0.438 643 T N 0.798 115.349 114.554 -0.005 0.000 2.684 643 T HA -0.135 4.214 4.350 -0.002 0.000 0.267 643 T C 1.833 176.516 174.700 -0.027 0.000 1.036 643 T CA 1.560 63.659 62.100 -0.002 0.000 1.148 643 T CB -0.177 68.699 68.868 0.014 0.000 0.863 643 T HN 0.014 nan 8.240 nan 0.000 0.436 644 V N 1.428 121.317 119.914 -0.042 0.000 2.427 644 V HA -0.090 4.029 4.120 -0.002 0.000 0.248 644 V C 2.359 178.323 176.094 -0.217 0.000 1.051 644 V CA 1.161 63.389 62.300 -0.120 0.000 1.048 644 V CB -0.638 31.143 31.823 -0.069 0.000 0.666 644 V HN 0.333 nan 8.190 nan 0.000 0.456 645 L N -0.330 120.814 121.223 -0.133 0.000 2.046 645 L HA -0.145 4.194 4.340 -0.002 0.000 0.208 645 L C 2.169 178.965 176.870 -0.123 0.000 1.077 645 L CA 1.897 56.656 54.840 -0.135 0.000 0.747 645 L CB -0.543 41.456 42.059 -0.101 0.000 0.896 645 L HN 0.195 nan 8.230 nan 0.000 0.432 646 L N -1.018 120.164 121.223 -0.069 0.000 2.046 646 L HA -0.235 4.104 4.340 -0.002 0.000 0.208 646 L C 2.685 179.593 176.870 0.063 0.000 1.077 646 L CA 1.405 56.247 54.840 0.003 0.000 0.747 646 L CB -0.475 41.619 42.059 0.058 0.000 0.896 646 L HN 0.400 nan 8.230 nan 0.000 0.432 647 Q N -0.508 119.285 119.800 -0.012 0.000 2.061 647 Q HA -0.229 4.110 4.340 -0.002 0.000 0.204 647 Q C 2.405 178.376 176.000 -0.048 0.000 0.984 647 Q CA 1.719 57.521 55.803 -0.002 0.000 0.846 647 Q CB -0.312 28.369 28.738 -0.094 0.000 0.902 647 Q HN 0.579 nan 8.270 nan 0.000 0.421 648 A N 0.716 123.360 122.820 -0.294 0.000 1.933 648 A HA -0.143 4.176 4.320 -0.002 0.000 0.218 648 A C 2.062 179.652 177.584 0.010 0.000 1.175 648 A CA 1.041 52.954 52.037 -0.206 0.000 0.628 648 A CB -0.563 18.250 19.000 -0.312 0.000 0.814 648 A HN 0.266 nan 8.150 nan 0.000 0.444 649 L N -1.635 119.568 121.223 -0.034 0.000 2.027 649 L HA -0.155 4.184 4.340 -0.002 0.000 0.206 649 L C 2.654 179.509 176.870 -0.025 0.000 1.074 649 L CA 1.219 56.035 54.840 -0.040 0.000 0.745 649 L CB -0.715 41.275 42.059 -0.115 0.000 0.898 649 L HN 0.453 nan 8.230 nan 0.000 0.433 650 H N 0.004 119.084 119.070 0.017 0.000 2.387 650 H HA -0.173 4.382 4.556 -0.002 0.000 0.299 650 H C 1.801 177.162 175.328 0.055 0.000 1.099 650 H CA 1.744 57.810 56.048 0.031 0.000 1.315 650 H CB -0.005 29.773 29.762 0.026 0.000 1.380 650 H HN 0.374 nan 8.280 nan 0.000 0.513 651 D N 0.100 120.622 120.400 0.204 0.000 2.117 651 D HA -0.103 4.536 4.640 -0.002 0.000 0.198 651 D C 2.480 178.850 176.300 0.116 0.000 0.982 651 D CA 0.449 54.559 54.000 0.182 0.000 0.828 651 D CB -0.362 40.598 40.800 0.267 0.000 0.967 651 D HN 0.091 nan 8.370 nan 0.000 0.464 652 V N 1.143 121.121 119.914 0.106 0.000 2.282 652 V HA -0.218 3.901 4.120 -0.002 0.000 0.249 652 V C 2.448 178.546 176.094 0.007 0.000 1.057 652 V CA 1.944 64.265 62.300 0.035 0.000 1.032 652 V CB -0.517 31.371 31.823 0.108 0.000 0.645 652 V HN 0.230 nan 8.190 nan 0.000 0.447 653 V N -1.373 118.575 119.914 0.056 0.000 3.647 653 V HA 0.074 4.193 4.120 -0.002 0.000 0.279 653 V C 2.256 178.383 176.094 0.055 0.000 1.314 653 V CA 0.877 63.218 62.300 0.068 0.000 1.125 653 V CB -0.277 31.595 31.823 0.081 0.000 0.907 653 V HN 0.590 nan 8.190 nan 0.000 0.434 654 S N 3.011 118.748 115.700 0.061 0.000 2.380 654 S HA -0.267 4.202 4.470 -0.002 0.000 0.229 654 S C 1.496 176.117 174.600 0.036 0.000 1.043 654 S CA 2.048 60.287 58.200 0.066 0.000 1.038 654 S CB -0.971 62.273 63.200 0.073 0.000 0.872 654 S HN 0.872 nan 8.310 nan 0.000 0.456 655 N N 0.741 119.445 118.700 0.007 0.000 2.389 655 N HA 0.220 4.959 4.740 -0.002 0.000 0.260 655 N C 0.872 176.372 175.510 -0.017 0.000 1.191 655 N CA -0.229 52.818 53.050 -0.006 0.000 0.885 655 N CB -0.318 38.157 38.487 -0.020 0.000 1.162 655 N HN 0.552 nan 8.380 nan 0.000 0.512 656 I N 0.208 120.779 120.570 0.001 0.000 2.361 656 I HA -0.120 4.049 4.170 -0.002 0.000 0.251 656 I C 1.750 177.881 176.117 0.024 0.000 1.133 656 I CA 1.228 62.534 61.300 0.010 0.000 1.413 656 I CB -0.170 37.870 38.000 0.066 0.000 1.073 656 I HN 0.272 nan 8.210 nan 0.000 0.424 657 G N -0.188 108.626 108.800 0.025 0.000 2.625 657 G HA2 -0.224 3.735 3.960 -0.002 0.000 0.214 657 G HA3 -0.224 3.735 3.960 -0.002 0.000 0.214 657 G C 1.586 176.497 174.900 0.018 0.000 1.132 657 G CA 0.750 45.865 45.100 0.025 0.000 0.782 657 G HN 0.568 nan 8.290 nan 0.000 0.538 658 S N -0.268 115.436 115.700 0.007 0.000 2.562 658 S HA 0.241 4.710 4.470 -0.002 0.000 0.221 658 S C 0.720 175.321 174.600 0.002 0.000 0.975 658 S CA -0.182 58.019 58.200 0.001 0.000 0.918 658 S CB 0.063 63.257 63.200 -0.011 0.000 0.772 658 S HN -0.012 nan 8.310 nan 0.000 0.531 659 I N 3.384 123.960 120.570 0.010 0.000 2.330 659 I HA 0.467 4.636 4.170 -0.002 0.000 0.286 659 I C -2.757 173.410 176.117 0.084 0.000 1.025 659 I CA -3.166 58.151 61.300 0.029 0.000 1.197 659 I CB 0.447 38.448 38.000 0.002 0.000 1.358 659 I HN -0.040 nan 8.210 nan 0.000 0.467 660 P HA 0.163 nan 4.420 nan 0.000 0.261 660 P C 0.978 178.326 177.300 0.080 0.000 1.183 660 P CA 0.664 63.807 63.100 0.071 0.000 0.761 660 P CB 0.568 32.301 31.700 0.055 0.000 0.785 661 G N 1.843 110.648 108.800 0.009 0.000 2.176 661 G HA2 -0.252 3.707 3.960 -0.002 0.000 0.253 661 G HA3 -0.252 3.707 3.960 -0.002 0.000 0.253 661 G C -0.216 174.691 174.900 0.012 0.000 0.979 661 G CA -0.221 44.816 45.100 -0.104 0.000 0.641 661 G HN 0.590 nan 8.290 nan 0.000 0.530 662 L N 2.497 123.833 121.223 0.188 0.000 2.278 662 L HA 0.754 5.093 4.340 -0.002 0.000 0.287 662 L C 0.052 177.032 176.870 0.183 0.000 1.072 662 L CA 0.067 55.067 54.840 0.267 0.000 0.819 662 L CB 1.215 43.410 42.059 0.225 0.000 1.176 662 L HN 0.102 nan 8.230 nan 0.000 0.435 663 T N 6.100 120.769 114.554 0.192 0.000 2.861 663 T HA 0.424 4.773 4.350 -0.002 0.000 0.287 663 T C -0.461 174.288 174.700 0.082 0.000 1.003 663 T CA -0.422 61.744 62.100 0.110 0.000 0.977 663 T CB 1.485 70.382 68.868 0.049 0.000 0.996 663 T HN 0.666 nan 8.240 nan 0.000 0.448 664 M N 4.671 124.247 119.600 -0.040 0.000 2.080 664 M HA 0.431 4.910 4.480 -0.002 0.000 0.350 664 M C 0.619 176.702 176.300 -0.361 0.000 1.173 664 M CA -0.546 54.529 55.300 -0.375 0.000 1.052 664 M CB 0.155 32.510 32.600 -0.408 0.000 1.577 664 M HN 0.797 nan 8.290 nan 0.000 0.455 665 I N 0.362 120.663 120.570 -0.449 0.000 3.941 665 I HA 0.337 4.506 4.170 -0.002 0.000 0.321 665 I C -0.399 175.466 176.117 -0.419 0.000 1.284 665 I CA 0.042 61.114 61.300 -0.379 0.000 1.226 665 I CB 0.656 38.408 38.000 -0.413 0.000 1.045 665 I HN 0.486 nan 8.210 nan 0.000 0.420 666 T N 4.185 118.425 114.554 -0.523 0.000 3.335 666 T HA 0.364 4.713 4.350 -0.002 0.000 0.321 666 T C -2.851 171.393 174.700 -0.761 0.000 0.960 666 T CA -0.802 60.986 62.100 -0.521 0.000 1.034 666 T CB 2.085 70.734 68.868 -0.365 0.000 1.040 666 T HN -0.027 nan 8.240 nan 0.000 0.454 667 P HA 0.224 nan 4.420 nan 0.000 0.275 667 P C -0.429 176.615 177.300 -0.426 0.000 1.227 667 P CA -0.292 62.380 63.100 -0.713 0.000 0.781 667 P CB 0.624 31.890 31.700 -0.724 0.000 0.906 668 D N 1.010 121.239 120.400 -0.285 0.000 2.414 668 D HA -0.035 4.604 4.640 -0.002 0.000 0.259 668 D C 1.306 177.516 176.300 -0.150 0.000 1.269 668 D CA -0.557 53.321 54.000 -0.203 0.000 1.028 668 D CB -0.361 40.354 40.800 -0.141 0.000 1.093 668 D HN 0.168 nan 8.370 nan 0.000 0.545 669 V N -2.869 116.982 119.914 -0.104 0.000 3.078 669 V HA -0.131 3.988 4.120 -0.002 0.000 0.265 669 V C 1.741 177.803 176.094 -0.053 0.000 1.122 669 V CA 1.927 64.184 62.300 -0.072 0.000 1.141 669 V CB -1.831 29.964 31.823 -0.047 0.000 0.735 669 V HN 0.791 nan 8.190 nan 0.000 0.498 670 T N -2.746 111.776 114.554 -0.053 0.000 3.100 670 T HA 0.098 4.447 4.350 -0.002 0.000 0.253 670 T C 0.765 175.447 174.700 -0.030 0.000 1.118 670 T CA 0.485 62.565 62.100 -0.033 0.000 1.058 670 T CB -0.077 68.776 68.868 -0.026 0.000 0.953 670 T HN 0.654 nan 8.240 nan 0.000 0.515 671 Q N 2.401 122.171 119.800 -0.049 0.000 2.325 671 Q HA 0.432 4.771 4.340 -0.002 0.000 0.270 671 Q C -0.425 175.548 176.000 -0.045 0.000 1.020 671 Q CA -0.705 55.077 55.803 -0.034 0.000 0.785 671 Q CB 1.723 30.438 28.738 -0.038 0.000 1.259 671 Q HN 0.458 nan 8.270 nan 0.000 0.452 672 T N 0.295 114.845 114.554 -0.007 0.000 2.813 672 T HA 0.193 4.542 4.350 -0.002 0.000 0.297 672 T C 1.364 176.062 174.700 -0.003 0.000 1.036 672 T CA -0.540 61.559 62.100 -0.002 0.000 1.044 672 T CB 0.570 69.460 68.868 0.037 0.000 0.993 672 T HN 0.724 nan 8.240 nan 0.000 0.535 673 L N 0.446 121.637 121.223 -0.053 0.000 2.079 673 L HA -0.096 4.243 4.340 -0.002 0.000 0.210 673 L C 2.871 179.759 176.870 0.032 0.000 1.081 673 L CA 1.482 56.285 54.840 -0.062 0.000 0.752 673 L CB -0.570 41.313 42.059 -0.293 0.000 0.896 673 L HN 0.718 nan 8.230 nan 0.000 0.433 674 E N 0.104 120.333 120.200 0.048 0.000 2.077 674 E HA -0.214 4.135 4.350 -0.002 0.000 0.193 674 E C 2.081 178.713 176.600 0.053 0.000 0.989 674 E CA 1.129 57.563 56.400 0.057 0.000 0.800 674 E CB -0.087 29.655 29.700 0.071 0.000 0.746 674 E HN 0.442 nan 8.360 nan 0.000 0.452 675 E N -0.758 119.481 120.200 0.065 0.000 2.150 675 E HA -0.185 4.164 4.350 -0.002 0.000 0.193 675 E C 1.685 178.347 176.600 0.105 0.000 0.985 675 E CA 0.733 57.173 56.400 0.066 0.000 0.814 675 E CB -0.155 29.580 29.700 0.057 0.000 0.752 675 E HN 0.278 nan 8.360 nan 0.000 0.466 676 Y N 0.972 121.261 120.300 -0.018 0.000 2.163 676 Y HA -0.221 4.327 4.550 -0.003 0.000 0.288 676 Y C 2.078 178.005 175.900 0.045 0.000 1.136 676 Y CA 1.080 59.182 58.100 0.004 0.000 1.147 676 Y CB -0.343 38.099 38.460 -0.030 0.000 0.987 676 Y HN -0.182 nan 8.280 nan 0.000 0.509 677 V N 0.434 120.328 119.914 -0.035 0.000 2.358 677 V HA -0.267 3.852 4.120 -0.002 0.000 0.246 677 V C 1.952 177.998 176.094 -0.080 0.000 1.047 677 V CA 2.168 64.370 62.300 -0.164 0.000 1.035 677 V CB -0.655 31.090 31.823 -0.130 0.000 0.658 677 V HN 0.341 nan 8.190 nan 0.000 0.452 678 D N 0.609 120.994 120.400 -0.025 0.000 2.178 678 D HA -0.078 4.561 4.640 -0.002 0.000 0.201 678 D C 1.999 178.295 176.300 -0.007 0.000 0.980 678 D CA 1.566 55.561 54.000 -0.008 0.000 0.842 678 D CB -0.165 40.639 40.800 0.006 0.000 0.948 678 D HN 0.478 nan 8.370 nan 0.000 0.472 679 A N -0.708 122.106 122.820 -0.011 0.000 2.218 679 A HA -0.007 4.312 4.320 -0.002 0.000 0.209 679 A C 0.539 178.090 177.584 -0.055 0.000 1.168 679 A CA -0.257 51.766 52.037 -0.023 0.000 0.804 679 A CB -0.396 18.599 19.000 -0.010 0.000 0.834 679 A HN 0.161 nan 8.150 nan 0.000 0.482 680 Y N 1.126 121.282 120.300 -0.240 0.000 2.411 680 Y HA 0.246 4.795 4.550 -0.001 0.000 0.333 680 Y C 0.275 176.048 175.900 -0.210 0.000 1.186 680 Y CA -0.666 57.248 58.100 -0.309 0.000 1.381 680 Y CB 0.430 38.630 38.460 -0.433 0.000 1.273 680 Y HN 0.244 nan 8.280 nan 0.000 0.546 681 D N 7.488 127.749 120.400 -0.232 0.000 2.339 681 D HA 0.114 4.753 4.640 -0.002 0.000 0.256 681 D C -1.880 174.377 176.300 -0.071 0.000 1.214 681 D CA -2.126 51.789 54.000 -0.141 0.000 0.877 681 D CB 1.480 42.150 40.800 -0.217 0.000 1.111 681 D HN 0.320 nan 8.370 nan 0.000 0.478 682 P HA -0.209 nan 4.420 nan 0.000 0.216 682 P C 0.949 178.084 177.300 -0.275 0.000 1.154 682 P CA 1.967 65.059 63.100 -0.013 0.000 0.865 682 P CB 0.133 31.942 31.700 0.182 0.000 0.789 683 A N -0.617 122.105 122.820 -0.164 0.000 1.972 683 A HA -0.186 4.133 4.320 -0.002 0.000 0.219 683 A C 2.183 179.534 177.584 -0.388 0.000 1.169 683 A CA 2.345 54.241 52.037 -0.234 0.000 0.635 683 A CB -1.939 17.021 19.000 -0.067 0.000 0.810 683 A HN 0.373 nan 8.150 nan 0.000 0.446 684 T N -2.860 111.507 114.554 -0.311 0.000 3.072 684 T HA 0.011 4.360 4.350 -0.002 0.000 0.266 684 T C 1.645 176.191 174.700 -0.256 0.000 1.127 684 T CA 1.219 63.159 62.100 -0.268 0.000 1.107 684 T CB -0.457 68.228 68.868 -0.305 0.000 0.910 684 T HN 0.409 nan 8.240 nan 0.000 0.513 685 M N 1.109 120.427 119.600 -0.470 0.000 2.476 685 M HA 0.097 4.576 4.480 -0.002 0.000 0.262 685 M C 0.946 176.739 176.300 -0.846 0.000 1.079 685 M CA 0.091 54.998 55.300 -0.655 0.000 1.104 685 M CB -0.622 31.474 32.600 -0.839 0.000 1.409 685 M HN 0.187 nan 8.290 nan 0.000 0.467 686 N N 1.302 119.444 118.700 -0.930 0.000 2.223 686 N HA -0.077 4.661 4.740 -0.002 0.000 0.271 686 N C 0.047 175.467 175.510 -0.150 0.000 1.315 686 N CA 0.561 53.403 53.050 -0.348 0.000 0.835 686 N CB 0.662 39.131 38.487 -0.029 0.000 1.066 686 N HN 0.002 nan 8.380 nan 0.000 0.486 687 S N 2.645 118.271 115.700 -0.123 0.000 2.540 687 S HA 0.106 4.575 4.470 -0.002 0.000 0.218 687 S C -0.043 174.266 174.600 -0.485 0.000 0.977 687 S CA -0.458 57.602 58.200 -0.233 0.000 0.918 687 S CB -0.153 62.930 63.200 -0.196 0.000 0.806 687 S HN 0.754 nan 8.310 nan 0.000 0.496 688 N N 1.758 120.355 118.700 -0.171 0.000 2.725 688 N HA -0.205 4.534 4.740 -0.002 0.000 0.249 688 N C -0.589 175.009 175.510 0.147 0.000 1.103 688 N CA 0.789 53.902 53.050 0.105 0.000 0.707 688 N CB -1.956 36.709 38.487 0.296 0.000 1.043 688 N HN 0.689 nan 8.380 nan 0.000 0.553 689 H N -2.043 116.951 119.070 -0.126 0.000 2.481 689 H HA 0.134 4.689 4.556 -0.001 0.000 0.273 689 H C -0.223 175.049 175.328 -0.094 0.000 1.145 689 H CA -0.906 55.108 56.048 -0.056 0.000 0.964 689 H CB -0.035 29.686 29.762 -0.068 0.000 1.722 689 H HN 0.197 nan 8.280 nan 0.000 0.573 690 W N 2.977 124.416 121.300 0.233 0.000 2.443 690 W HA 0.153 4.812 4.660 -0.002 0.000 0.335 690 W C 0.472 177.009 176.519 0.029 0.000 1.382 690 W CA -0.146 57.260 57.345 0.102 0.000 1.305 690 W CB 0.102 29.620 29.460 0.097 0.000 1.283 690 W HN 0.002 nan 8.180 nan 0.000 0.567 691 V N -0.390 119.611 119.914 0.143 0.000 3.181 691 V HA 0.702 4.820 4.120 -0.002 0.000 0.308 691 V C 0.373 176.442 176.094 -0.041 0.000 1.214 691 V CA -0.833 61.484 62.300 0.028 0.000 1.053 691 V CB 1.693 33.493 31.823 -0.038 0.000 1.069 691 V HN 0.706 nan 8.190 nan 0.000 0.441 692 S N -0.616 115.025 115.700 -0.099 0.000 2.857 692 S HA -0.231 4.238 4.470 -0.002 0.000 0.268 692 S C 1.341 175.873 174.600 -0.114 0.000 1.297 692 S CA 1.574 59.690 58.200 -0.140 0.000 1.280 692 S CB -2.188 60.916 63.200 -0.159 0.000 1.562 692 S HN 2.044 nan 8.310 nan 0.000 0.661 693 S N 0.778 116.417 115.700 -0.102 0.000 2.474 693 S HA 0.068 4.537 4.470 -0.002 0.000 0.235 693 S C 1.066 175.601 174.600 -0.108 0.000 0.997 693 S CA 1.079 59.208 58.200 -0.118 0.000 0.949 693 S CB -0.449 62.639 63.200 -0.187 0.000 0.766 693 S HN 1.128 nan 8.310 nan 0.000 0.517 694 T N -1.010 113.481 114.554 -0.106 0.000 3.624 694 T HA 0.323 4.672 4.350 -0.002 0.000 0.244 694 T C -0.147 174.493 174.700 -0.100 0.000 1.063 694 T CA -0.478 61.569 62.100 -0.087 0.000 1.252 694 T CB 0.138 68.954 68.868 -0.088 0.000 1.021 694 T HN 0.103 nan 8.240 nan 0.000 0.590 695 T N 2.083 116.569 114.554 -0.114 0.000 2.946 695 T HA 0.279 4.627 4.350 -0.002 0.000 0.311 695 T C 0.529 175.130 174.700 -0.164 0.000 1.063 695 T CA -0.327 61.669 62.100 -0.173 0.000 1.139 695 T CB -0.123 68.639 68.868 -0.177 0.000 0.994 695 T HN 0.619 nan 8.240 nan 0.000 0.547 696 I N 3.412 123.811 120.570 -0.284 0.000 2.836 696 I HA 0.512 4.681 4.170 -0.002 0.000 0.285 696 I C 0.849 176.867 176.117 -0.166 0.000 1.174 696 I CA 1.013 62.153 61.300 -0.266 0.000 1.405 696 I CB 0.122 37.839 38.000 -0.473 0.000 1.385 696 I HN 0.884 nan 8.210 nan 0.000 0.594 697 G N 2.962 111.747 108.800 -0.025 0.000 2.348 697 G HA2 0.191 4.150 3.960 -0.002 0.000 0.296 697 G HA3 0.191 4.150 3.960 -0.002 0.000 0.296 697 G C -0.376 174.645 174.900 0.202 0.000 1.258 697 G CA 0.190 45.325 45.100 0.058 0.000 0.868 697 G HN 0.617 nan 8.290 nan 0.000 0.488 698 S N -1.789 114.016 115.700 0.175 0.000 2.526 698 S HA 0.531 5.000 4.470 -0.002 0.000 0.220 698 S C 0.753 175.408 174.600 0.092 0.000 1.017 698 S CA 0.968 59.287 58.200 0.198 0.000 0.930 698 S CB 0.548 63.816 63.200 0.113 0.000 0.856 698 S HN 1.470 nan 8.310 nan 0.000 0.497 699 S N 2.055 117.711 115.700 -0.075 0.000 2.538 699 S HA 0.550 5.019 4.470 -0.002 0.000 0.288 699 S C -2.476 171.752 174.600 -0.620 0.000 1.108 699 S CA -1.601 56.392 58.200 -0.345 0.000 0.971 699 S CB 1.964 65.062 63.200 -0.170 0.000 1.041 699 S HN -0.000 nan 8.310 nan 0.000 0.483 700 P HA -0.017 nan 4.420 nan 0.000 0.230 700 P C 0.585 177.729 177.300 -0.259 0.000 1.158 700 P CA 0.761 63.444 63.100 -0.696 0.000 0.769 700 P CB 0.229 31.565 31.700 -0.606 0.000 0.807 701 Q N 0.094 119.772 119.800 -0.205 0.000 2.331 701 Q HA -0.004 4.335 4.340 -0.002 0.000 0.203 701 Q C 1.919 177.874 176.000 -0.075 0.000 0.944 701 Q CA 1.432 57.171 55.803 -0.107 0.000 0.892 701 Q CB -0.221 28.465 28.738 -0.087 0.000 0.983 701 Q HN 0.340 nan 8.270 nan 0.000 0.482 702 S N -2.505 113.147 115.700 -0.080 0.000 2.733 702 S HA 0.690 5.159 4.470 -0.002 0.000 0.247 702 S C 0.278 174.868 174.600 -0.017 0.000 1.043 702 S CA -0.063 58.111 58.200 -0.043 0.000 1.066 702 S CB 0.844 64.020 63.200 -0.039 0.000 1.045 702 S HN 0.138 nan 8.310 nan 0.000 0.586 703 A N 0.019 122.851 122.820 0.019 0.000 2.593 703 A HA 0.808 5.127 4.320 -0.002 0.000 0.290 703 A C 0.191 177.926 177.584 0.251 0.000 1.126 703 A CA -0.420 51.688 52.037 0.117 0.000 0.695 703 A CB 0.963 20.085 19.000 0.203 0.000 1.290 703 A HN 0.304 nan 8.150 nan 0.000 0.414 704 V N -0.219 119.819 119.914 0.206 0.000 3.212 704 V HA 0.183 4.302 4.120 -0.002 0.000 0.244 704 V C 0.548 176.677 176.094 0.057 0.000 1.151 704 V CA 1.286 63.698 62.300 0.188 0.000 1.119 704 V CB 0.758 32.605 31.823 0.039 0.000 0.838 704 V HN 1.159 nan 8.190 nan 0.000 0.470 705 V N -1.000 118.839 119.914 -0.124 0.000 3.001 705 V HA 0.747 4.866 4.120 -0.002 0.000 0.314 705 V C -0.628 175.132 176.094 -0.557 0.000 1.099 705 V CA -0.863 61.176 62.300 -0.435 0.000 0.989 705 V CB 1.971 33.668 31.823 -0.210 0.000 1.040 705 V HN 0.378 nan 8.190 nan 0.000 0.434 706 D N 1.858 121.825 120.400 -0.722 0.000 2.496 706 D HA 0.262 4.901 4.640 -0.002 0.000 0.283 706 D C 1.430 177.713 176.300 -0.028 0.000 1.214 706 D CA 0.284 54.071 54.000 -0.355 0.000 1.089 706 D CB 0.388 40.968 40.800 -0.366 0.000 1.141 706 D HN 0.808 nan 8.370 nan 0.000 0.580 707 S N -1.571 114.205 115.700 0.127 0.000 2.515 707 S HA -0.082 4.387 4.470 -0.002 0.000 0.231 707 S C 0.635 175.525 174.600 0.483 0.000 0.987 707 S CA 0.216 58.617 58.200 0.334 0.000 0.936 707 S CB -0.578 62.831 63.200 0.349 0.000 0.766 707 S HN 0.456 nan 8.310 nan 0.000 0.528 708 N N 1.716 120.596 118.700 0.301 0.000 2.273 708 N HA 0.167 4.906 4.740 -0.002 0.000 0.231 708 N C 0.732 176.476 175.510 0.390 0.000 1.134 708 N CA 0.724 53.976 53.050 0.338 0.000 0.856 708 N CB 1.040 39.693 38.487 0.275 0.000 1.068 708 N HN 0.599 nan 8.380 nan 0.000 0.510 709 V N -2.199 117.893 119.914 0.295 0.000 3.883 709 V HA -0.317 3.802 4.120 -0.002 0.000 0.217 709 V C 0.270 176.486 176.094 0.205 0.000 0.472 709 V CA 1.256 63.689 62.300 0.222 0.000 0.955 709 V CB -2.560 29.435 31.823 0.286 0.000 1.038 709 V HN 0.329 nan 8.190 nan 0.000 1.215 710 K N 0.417 120.816 120.400 -0.001 0.000 2.276 710 K HA 0.616 4.935 4.320 -0.002 0.000 0.283 710 K C 0.121 176.444 176.600 -0.463 0.000 1.044 710 K CA -0.359 55.653 56.287 -0.459 0.000 0.944 710 K CB 1.637 33.860 32.500 -0.462 0.000 1.012 710 K HN 0.418 nan 8.250 nan 0.000 0.472 711 V N 5.934 125.599 119.914 -0.416 0.000 2.529 711 V HA 0.008 4.127 4.120 -0.002 0.000 0.292 711 V C 0.173 176.124 176.094 -0.239 0.000 1.028 711 V CA -0.089 62.042 62.300 -0.283 0.000 1.074 711 V CB -0.375 31.354 31.823 -0.157 0.000 0.958 711 V HN 0.562 nan 8.190 nan 0.000 0.481 712 F N 3.260 123.174 119.950 -0.060 0.000 2.629 712 F HA 0.376 4.902 4.527 -0.002 0.000 0.369 712 F C 1.616 177.396 175.800 -0.032 0.000 1.125 712 F CA 1.361 59.339 58.000 -0.038 0.000 1.330 712 F CB -0.087 38.902 39.000 -0.019 0.000 1.071 712 F HN 0.796 nan 8.300 nan 0.000 0.595 713 G N 1.188 110.103 108.800 0.192 0.000 2.162 713 G HA2 -0.246 3.713 3.960 -0.002 0.000 0.260 713 G HA3 -0.246 3.713 3.960 -0.002 0.000 0.260 713 G C 0.156 175.082 174.900 0.044 0.000 0.976 713 G CA 0.369 45.530 45.100 0.103 0.000 0.655 713 G HN 1.075 nan 8.290 nan 0.000 0.533 714 T N -3.184 111.365 114.554 -0.008 0.000 2.924 714 T HA 0.663 5.012 4.350 -0.002 0.000 0.291 714 T C 0.995 175.648 174.700 -0.079 0.000 1.045 714 T CA -0.085 61.987 62.100 -0.046 0.000 1.015 714 T CB 1.728 70.541 68.868 -0.090 0.000 1.103 714 T HN -0.092 nan 8.240 nan 0.000 0.496 715 N N 1.591 120.260 118.700 -0.052 0.000 2.290 715 N HA -0.011 4.728 4.740 -0.002 0.000 0.179 715 N C 0.773 176.242 175.510 -0.069 0.000 1.016 715 N CA 0.951 53.979 53.050 -0.036 0.000 0.871 715 N CB -0.163 38.329 38.487 0.008 0.000 0.987 715 N HN 0.866 nan 8.380 nan 0.000 0.431 716 N N -0.359 118.284 118.700 -0.095 0.000 2.381 716 N HA 0.063 4.802 4.740 -0.002 0.000 0.257 716 N C -1.001 174.486 175.510 -0.038 0.000 1.409 716 N CA -0.253 52.801 53.050 0.007 0.000 0.836 716 N CB -0.334 38.215 38.487 0.103 0.000 1.384 716 N HN -0.019 nan 8.380 nan 0.000 0.490 717 L N 0.847 121.873 121.223 -0.329 0.000 2.313 717 L HA 0.717 5.056 4.340 -0.002 0.000 0.283 717 L C -1.525 175.041 176.870 -0.507 0.000 1.013 717 L CA -0.452 54.265 54.840 -0.206 0.000 0.816 717 L CB 0.735 42.730 42.059 -0.107 0.000 1.236 717 L HN 0.011 nan 8.230 nan 0.000 0.419 718 F N 4.645 124.616 119.950 0.034 0.000 2.620 718 F HA 0.659 5.185 4.527 -0.002 0.000 0.320 718 F C -0.346 175.469 175.800 0.025 0.000 1.069 718 F CA -0.659 57.360 58.000 0.033 0.000 0.953 718 F CB 1.815 40.862 39.000 0.078 0.000 1.322 718 F HN 0.154 nan 8.300 nan 0.000 0.479 719 I N 2.125 122.825 120.570 0.216 0.000 2.499 719 I HA 0.460 4.629 4.170 -0.002 0.000 0.288 719 I C -1.276 174.916 176.117 0.126 0.000 1.048 719 I CA -0.836 60.536 61.300 0.120 0.000 1.062 719 I CB 2.072 40.093 38.000 0.036 0.000 1.238 719 I HN 0.183 nan 8.210 nan 0.000 0.426 720 V N 5.043 125.021 119.914 0.106 0.000 2.315 720 V HA 0.402 4.521 4.120 -0.002 0.000 0.265 720 V C -0.998 175.141 176.094 0.076 0.000 1.019 720 V CA -0.301 62.058 62.300 0.098 0.000 0.824 720 V CB 0.469 32.340 31.823 0.080 0.000 1.072 720 V HN 0.947 nan 8.190 nan 0.000 0.448 721 D N 2.753 123.197 120.400 0.074 0.000 2.792 721 D HA 0.436 5.075 4.640 -0.002 0.000 0.335 721 D C 0.873 177.214 176.300 0.068 0.000 1.353 721 D CA 0.028 54.071 54.000 0.072 0.000 0.839 721 D CB 1.303 42.141 40.800 0.064 0.000 1.396 721 D HN 0.166 nan 8.370 nan 0.000 0.479 722 A N -0.307 122.561 122.820 0.080 0.000 2.070 722 A HA 0.174 4.493 4.320 -0.002 0.000 0.220 722 A C 1.992 179.589 177.584 0.022 0.000 1.159 722 A CA 2.083 54.165 52.037 0.076 0.000 0.656 722 A CB -1.489 17.584 19.000 0.122 0.000 0.800 722 A HN 0.705 nan 8.150 nan 0.000 0.453 723 G N 0.893 109.691 108.800 -0.003 0.000 2.448 723 G HA2 -0.194 3.765 3.960 -0.002 0.000 0.219 723 G HA3 -0.194 3.765 3.960 -0.002 0.000 0.219 723 G C 1.446 176.288 174.900 -0.097 0.000 1.127 723 G CA 1.119 46.186 45.100 -0.056 0.000 0.766 723 G HN 0.892 nan 8.290 nan 0.000 0.552 724 I N -1.480 119.034 120.570 -0.093 0.000 2.761 724 I HA 0.258 4.427 4.170 -0.002 0.000 0.261 724 I C 0.806 176.715 176.117 -0.347 0.000 1.198 724 I CA -0.067 61.125 61.300 -0.180 0.000 1.482 724 I CB -0.089 37.833 38.000 -0.130 0.000 1.100 724 I HN -0.107 nan 8.210 nan 0.000 0.445 725 I N 4.132 124.542 120.570 -0.267 0.000 2.598 725 I HA 0.063 4.232 4.170 -0.002 0.000 0.284 725 I C -1.166 174.659 176.117 -0.486 0.000 1.140 725 I CA -1.075 59.978 61.300 -0.411 0.000 1.420 725 I CB 0.613 38.555 38.000 -0.097 0.000 1.387 725 I HN 0.048 nan 8.210 nan 0.000 0.553 726 P HA -0.056 nan 4.420 nan 0.000 0.240 726 P C 0.033 177.184 177.300 -0.249 0.000 1.190 726 P CA 1.118 63.922 63.100 -0.494 0.000 0.781 726 P CB 0.456 31.772 31.700 -0.641 0.000 0.931 727 H N -0.715 118.176 119.070 -0.298 0.000 3.085 727 H HA 0.268 4.823 4.556 -0.002 0.000 0.356 727 H C -0.591 174.668 175.328 -0.116 0.000 1.178 727 H CA -0.756 55.189 56.048 -0.170 0.000 1.214 727 H CB 1.225 30.906 29.762 -0.134 0.000 1.881 727 H HN -0.218 nan 8.280 nan 0.000 0.538 728 L N 5.668 126.794 121.223 -0.162 0.000 2.559 728 L HA 0.045 4.384 4.340 -0.002 0.000 0.282 728 L C -1.706 175.263 176.870 0.165 0.000 1.232 728 L CA -0.933 53.910 54.840 0.005 0.000 0.885 728 L CB 0.108 42.151 42.059 -0.026 0.000 1.131 728 L HN 0.435 nan 8.230 nan 0.000 0.498 729 P HA 0.148 nan 4.420 nan 0.000 0.293 729 P C 0.344 177.635 177.300 -0.015 0.000 1.304 729 P CA -0.488 62.609 63.100 -0.005 0.000 0.767 729 P CB 0.605 32.273 31.700 -0.053 0.000 1.247 730 T N -1.178 113.306 114.554 -0.117 0.000 2.708 730 T HA 0.001 4.350 4.350 -0.002 0.000 0.266 730 T C 1.223 175.916 174.700 -0.012 0.000 1.037 730 T CA 1.814 63.812 62.100 -0.169 0.000 1.146 730 T CB -0.820 67.747 68.868 -0.502 0.000 0.865 730 T HN 0.643 nan 8.240 nan 0.000 0.435 731 G N 0.676 109.439 108.800 -0.060 0.000 2.613 731 G HA2 0.482 4.441 3.960 -0.002 0.000 0.303 731 G HA3 0.482 4.441 3.960 -0.002 0.000 0.303 731 G C -0.699 174.279 174.900 0.130 0.000 1.312 731 G CA -0.992 44.173 45.100 0.108 0.000 1.036 731 G HN 0.271 nan 8.290 nan 0.000 0.513 732 N N 1.163 120.014 118.700 0.250 0.000 2.293 732 N HA 0.082 4.821 4.740 -0.002 0.000 0.253 732 N C -1.533 173.938 175.510 -0.064 0.000 1.248 732 N CA -0.396 52.611 53.050 -0.072 0.000 0.845 732 N CB 1.064 39.611 38.487 0.100 0.000 1.073 732 N HN 0.230 nan 8.380 nan 0.000 0.464 733 P HA -0.114 nan 4.420 nan 0.000 0.245 733 P C 0.707 178.018 177.300 0.019 0.000 1.206 733 P CA 0.661 63.703 63.100 -0.097 0.000 0.781 733 P CB 0.240 31.863 31.700 -0.127 0.000 0.994 734 Q N 0.186 120.008 119.800 0.035 0.000 2.181 734 Q HA -0.111 4.228 4.340 -0.002 0.000 0.205 734 Q C 2.173 178.279 176.000 0.176 0.000 0.980 734 Q CA 2.112 57.980 55.803 0.109 0.000 0.862 734 Q CB -1.641 27.162 28.738 0.109 0.000 0.905 734 Q HN 0.120 nan 8.270 nan 0.000 0.429 735 G N 0.405 109.317 108.800 0.186 0.000 2.408 735 G HA2 -0.214 3.745 3.960 -0.002 0.000 0.217 735 G HA3 -0.214 3.745 3.960 -0.002 0.000 0.217 735 G C 1.355 176.381 174.900 0.209 0.000 1.150 735 G CA 1.168 46.396 45.100 0.214 0.000 0.776 735 G HN 0.401 nan 8.290 nan 0.000 0.542 736 T N 1.058 115.715 114.554 0.172 0.000 2.737 736 T HA -0.106 4.243 4.350 -0.002 0.000 0.265 736 T C 2.236 177.099 174.700 0.272 0.000 1.038 736 T CA 1.181 63.405 62.100 0.206 0.000 1.144 736 T CB -0.256 68.652 68.868 0.067 0.000 0.866 736 T HN 0.141 nan 8.240 nan 0.000 0.434 737 L N 0.968 122.310 121.223 0.198 0.000 2.042 737 L HA 0.029 4.367 4.340 -0.002 0.000 0.210 737 L C 2.241 179.228 176.870 0.194 0.000 1.076 737 L CA 1.812 56.773 54.840 0.201 0.000 0.749 737 L CB -0.698 41.448 42.059 0.145 0.000 0.893 737 L HN 0.265 nan 8.230 nan 0.000 0.432 738 M N -1.595 118.109 119.600 0.174 0.000 2.175 738 M HA -0.163 4.316 4.480 -0.002 0.000 0.264 738 M C 2.468 178.849 176.300 0.136 0.000 1.063 738 M CA 1.653 57.024 55.300 0.119 0.000 1.119 738 M CB -0.388 32.299 32.600 0.144 0.000 1.377 738 M HN 0.459 nan 8.290 nan 0.000 0.415 739 S N 0.548 116.370 115.700 0.204 0.000 2.368 739 S HA -0.116 4.353 4.470 -0.002 0.000 0.225 739 S C 2.002 176.683 174.600 0.135 0.000 1.030 739 S CA 1.423 59.721 58.200 0.164 0.000 0.999 739 S CB -0.141 63.162 63.200 0.171 0.000 0.844 739 S HN 0.495 nan 8.310 nan 0.000 0.459 740 A N 1.213 124.227 122.820 0.322 0.000 1.940 740 A HA 0.146 4.465 4.320 -0.002 0.000 0.219 740 A C 2.424 180.177 177.584 0.282 0.000 1.176 740 A CA 1.918 54.217 52.037 0.438 0.000 0.631 740 A CB -1.269 18.089 19.000 0.595 0.000 0.814 740 A HN 0.769 nan 8.150 nan 0.000 0.446 741 A N -0.603 122.312 122.820 0.159 0.000 1.930 741 A HA -0.100 4.219 4.320 -0.002 0.000 0.217 741 A C 1.952 179.515 177.584 -0.034 0.000 1.175 741 A CA 1.439 53.512 52.037 0.059 0.000 0.627 741 A CB -0.377 18.617 19.000 -0.010 0.000 0.815 741 A HN 0.483 nan 8.150 nan 0.000 0.443 742 E N -0.384 119.793 120.200 -0.039 0.000 2.058 742 E HA -0.270 4.079 4.350 -0.002 0.000 0.194 742 E C 2.161 178.610 176.600 -0.252 0.000 0.997 742 E CA 1.667 58.041 56.400 -0.043 0.000 0.801 742 E CB -0.316 29.444 29.700 0.099 0.000 0.746 742 E HN 0.849 nan 8.360 nan 0.000 0.450 743 Q N 0.276 119.771 119.800 -0.509 0.000 2.119 743 Q HA -0.111 4.228 4.340 -0.002 0.000 0.201 743 Q C 2.070 177.612 176.000 -0.763 0.000 0.972 743 Q CA 1.447 56.518 55.803 -1.220 0.000 0.847 743 Q CB -0.071 27.836 28.738 -1.385 0.000 0.903 743 Q HN 0.221 nan 8.270 nan 0.000 0.433 744 A N 0.766 123.446 122.820 -0.233 0.000 1.877 744 A HA -0.151 4.167 4.320 -0.002 0.000 0.216 744 A C 2.301 179.822 177.584 -0.105 0.000 1.186 744 A CA 1.774 53.836 52.037 0.042 0.000 0.620 744 A CB -1.139 18.009 19.000 0.247 0.000 0.822 744 A HN 0.558 nan 8.150 nan 0.000 0.443 745 A N -0.281 122.453 122.820 -0.143 0.000 1.933 745 A HA 0.155 4.474 4.320 -0.002 0.000 0.218 745 A C 2.488 179.964 177.584 -0.180 0.000 1.175 745 A CA 2.132 54.066 52.037 -0.172 0.000 0.628 745 A CB -0.961 17.948 19.000 -0.153 0.000 0.814 745 A HN 1.068 nan 8.150 nan 0.000 0.444 746 A N -0.262 122.436 122.820 -0.203 0.000 1.898 746 A HA -0.128 4.191 4.320 -0.002 0.000 0.216 746 A C 2.124 179.609 177.584 -0.165 0.000 1.181 746 A CA 1.649 53.594 52.037 -0.154 0.000 0.620 746 A CB -0.372 18.556 19.000 -0.119 0.000 0.819 746 A HN 0.503 nan 8.150 nan 0.000 0.442 747 K N -0.484 119.777 120.400 -0.232 0.000 2.057 747 K HA -0.035 4.284 4.320 -0.002 0.000 0.206 747 K C 1.843 178.398 176.600 -0.076 0.000 1.050 747 K CA 1.382 57.578 56.287 -0.151 0.000 0.935 747 K CB -0.358 32.044 32.500 -0.163 0.000 0.715 747 K HN 0.537 nan 8.250 nan 0.000 0.439 748 I N 1.267 121.765 120.570 -0.121 0.000 2.179 748 I HA -0.293 3.876 4.170 -0.002 0.000 0.242 748 I C 2.268 178.318 176.117 -0.110 0.000 1.088 748 I CA 1.179 62.364 61.300 -0.192 0.000 1.357 748 I CB -0.249 37.541 38.000 -0.350 0.000 1.051 748 I HN 0.095 nan 8.210 nan 0.000 0.409 749 L N 0.470 121.627 121.223 -0.109 0.000 2.083 749 L HA -0.195 4.144 4.340 -0.002 0.000 0.209 749 L C 2.655 179.515 176.870 -0.016 0.000 1.083 749 L CA 1.335 56.143 54.840 -0.053 0.000 0.752 749 L CB -0.624 41.393 42.059 -0.070 0.000 0.899 749 L HN 0.241 nan 8.230 nan 0.000 0.433 750 A N -0.554 122.250 122.820 -0.027 0.000 2.167 750 A HA -0.009 4.310 4.320 -0.002 0.000 0.214 750 A C 1.032 178.628 177.584 0.020 0.000 1.151 750 A CA 0.134 52.168 52.037 -0.006 0.000 0.735 750 A CB -0.342 18.645 19.000 -0.021 0.000 0.802 750 A HN 0.220 nan 8.150 nan 0.000 0.467 751 L N 1.194 122.437 121.223 0.033 0.000 2.385 751 L HA 0.544 4.883 4.340 -0.002 0.000 0.281 751 L C 0.608 177.526 176.870 0.079 0.000 1.106 751 L CA -0.426 54.459 54.840 0.075 0.000 0.856 751 L CB -0.042 42.090 42.059 0.122 0.000 1.186 751 L HN 0.279 nan 8.230 nan 0.000 0.453 752 A N 4.015 126.878 122.820 0.072 0.000 2.520 752 A HA 0.451 4.770 4.320 -0.002 0.000 0.235 752 A C 1.361 178.991 177.584 0.076 0.000 1.065 752 A CA 0.472 52.547 52.037 0.064 0.000 0.764 752 A CB -0.399 18.634 19.000 0.055 0.000 1.002 752 A HN 1.914 nan 8.150 nan 0.000 0.502 753 G N 0.509 109.348 108.800 0.064 0.000 2.176 753 G HA2 0.082 4.041 3.960 -0.002 0.000 0.232 753 G HA3 0.082 4.041 3.960 -0.002 0.000 0.232 753 G C 0.799 175.737 174.900 0.063 0.000 0.986 753 G CA 0.406 45.544 45.100 0.063 0.000 0.643 753 G HN 1.906 nan 8.290 nan 0.000 0.522 754 G N 0.236 109.075 108.800 0.065 0.000 2.547 754 G HA2 0.736 4.695 3.960 -0.002 0.000 0.291 754 G HA3 0.736 4.695 3.960 -0.002 0.000 0.291 754 G C -1.187 173.729 174.900 0.028 0.000 1.211 754 G CA -0.365 44.765 45.100 0.050 0.000 0.950 754 G HN 0.304 nan 8.290 nan 0.000 0.504 755 P HA 0.000 nan 4.420 nan 0.000 0.216 755 P CA 0.000 63.099 63.100 -0.002 0.000 0.800 755 P CB 0.000 31.654 31.700 -0.076 0.000 0.726