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 1bsx_1_A DATA FIRST_RESID 211 DATA SEQUENCE KPEPTDEEWE LIKTVTEAHV ATNAQGSHWK QKRKFLPEDI GQAPXXXXXX DATA SEQUENCE XXKVDLEAFS HFTKIITPAI TRVVDFAKKL PMFCELPCED QIILLKGCCM DATA SEQUENCE EIMSLRAAVR YDPESETLTL NGEMAVTRGQ LKNGGLGVVS DAIFDLGMSL DATA SEQUENCE SSFNLDDTEV ALLQAVLLMS SDRPGLACVE RIEKYQDSFL LAFEHYINYR DATA SEQUENCE KHHVTHFWPK LLMKVTDLRM IGACHASRFL HMKVECPTEL FPPLFLEVFE DATA SEQUENCE D 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 211 K HA 0.000 nan 4.320 nan 0.000 0.191 211 K C 0.000 176.571 176.600 -0.048 0.000 0.988 211 K CA 0.000 56.266 56.287 -0.036 0.000 0.838 211 K CB 0.000 32.476 32.500 -0.040 0.000 1.064 212 P HA 0.240 nan 4.420 nan 0.000 0.266 212 P C -0.809 176.381 177.300 -0.183 0.000 1.193 212 P CA 0.331 63.346 63.100 -0.142 0.000 0.770 212 P CB 0.588 32.184 31.700 -0.174 0.000 0.836 213 E N 1.645 121.706 120.200 -0.232 0.000 2.449 213 E HA 0.481 4.832 4.350 0.001 0.000 0.254 213 E C -2.500 173.921 176.600 -0.299 0.000 0.907 213 E CA -2.059 54.244 56.400 -0.162 0.000 0.840 213 E CB 0.408 30.121 29.700 0.023 0.000 1.459 213 E HN 0.331 nan 8.360 nan 0.000 0.407 214 P HA 0.040 nan 4.420 nan 0.000 0.274 214 P C -0.693 176.667 177.300 0.100 0.000 1.256 214 P CA -0.152 62.905 63.100 -0.071 0.000 0.795 214 P CB 0.453 31.824 31.700 -0.548 0.000 1.038 215 T N -3.216 111.417 114.554 0.131 0.000 2.888 215 T HA 0.246 4.597 4.350 0.001 0.000 0.284 215 T C 0.844 175.698 174.700 0.257 0.000 1.017 215 T CA -0.638 61.558 62.100 0.159 0.000 1.022 215 T CB 0.808 69.728 68.868 0.086 0.000 1.013 215 T HN 0.219 nan 8.240 nan 0.000 0.465 216 D N 1.412 121.928 120.400 0.194 0.000 2.220 216 D HA -0.175 4.466 4.640 0.001 0.000 0.198 216 D C 2.134 178.527 176.300 0.155 0.000 1.001 216 D CA 2.119 56.215 54.000 0.160 0.000 0.875 216 D CB -0.003 40.833 40.800 0.059 0.000 0.921 216 D HN 0.935 nan 8.370 nan 0.000 0.454 217 E N 0.986 121.252 120.200 0.111 0.000 2.051 217 E HA -0.138 4.212 4.350 0.001 0.000 0.189 217 E C 1.915 178.550 176.600 0.059 0.000 0.979 217 E CA 1.010 57.451 56.400 0.069 0.000 0.803 217 E CB -0.748 28.975 29.700 0.038 0.000 0.761 217 E HN 0.451 nan 8.360 nan 0.000 0.451 218 E N -0.776 119.454 120.200 0.050 0.000 2.110 218 E HA -0.166 4.185 4.350 0.001 0.000 0.193 218 E C 2.002 178.580 176.600 -0.037 0.000 0.988 218 E CA 1.048 57.432 56.400 -0.027 0.000 0.804 218 E CB -0.282 29.402 29.700 -0.028 0.000 0.745 218 E HN 0.712 nan 8.360 nan 0.000 0.458 219 W N 1.586 122.890 121.300 0.007 0.000 2.335 219 W HA -0.199 4.462 4.660 0.001 0.000 0.311 219 W C 2.332 178.841 176.519 -0.017 0.000 1.213 219 W CA 1.415 58.763 57.345 0.005 0.000 1.274 219 W CB -0.124 29.332 29.460 -0.008 0.000 1.148 219 W HN 0.119 nan 8.180 nan 0.000 0.498 220 E N -0.241 120.094 120.200 0.225 0.000 2.118 220 E HA -0.265 4.086 4.350 0.001 0.000 0.195 220 E C 2.026 178.651 176.600 0.041 0.000 0.992 220 E CA 1.423 57.893 56.400 0.116 0.000 0.804 220 E CB -0.397 29.347 29.700 0.074 0.000 0.741 220 E HN 0.110 nan 8.360 nan 0.000 0.458 221 L N 0.960 122.171 121.223 -0.020 0.000 1.994 221 L HA -0.184 4.156 4.340 0.001 0.000 0.208 221 L C 1.917 178.731 176.870 -0.094 0.000 1.071 221 L CA 1.657 56.428 54.840 -0.116 0.000 0.745 221 L CB -0.587 41.331 42.059 -0.236 0.000 0.892 221 L HN 0.196 nan 8.230 nan 0.000 0.431 222 I N -0.121 120.390 120.570 -0.098 0.000 2.068 222 I HA -0.420 3.751 4.170 0.001 0.000 0.238 222 I C 2.583 178.689 176.117 -0.018 0.000 1.046 222 I CA 2.084 63.319 61.300 -0.108 0.000 1.306 222 I CB -0.665 37.211 38.000 -0.207 0.000 1.023 222 I HN 0.372 nan 8.210 nan 0.000 0.399 223 K N 0.315 120.751 120.400 0.061 0.000 2.207 223 K HA -0.259 4.062 4.320 0.001 0.000 0.208 223 K C 1.876 178.509 176.600 0.055 0.000 1.046 223 K CA 2.233 58.570 56.287 0.084 0.000 0.929 223 K CB -0.124 32.442 32.500 0.111 0.000 0.720 223 K HN 0.415 nan 8.250 nan 0.000 0.463 224 T N 0.374 114.952 114.554 0.039 0.000 2.623 224 T HA -0.102 4.249 4.350 0.001 0.000 0.254 224 T C 1.877 176.625 174.700 0.080 0.000 1.075 224 T CA 1.453 63.579 62.100 0.043 0.000 1.177 224 T CB -0.430 68.449 68.868 0.019 0.000 0.869 224 T HN 0.010 nan 8.240 nan 0.000 0.403 225 V N 1.940 121.917 119.914 0.105 0.000 2.280 225 V HA -0.314 3.807 4.120 0.001 0.000 0.258 225 V C 2.728 178.949 176.094 0.212 0.000 1.081 225 V CA 2.504 64.925 62.300 0.202 0.000 1.070 225 V CB -1.589 30.364 31.823 0.217 0.000 0.666 225 V HN 0.590 nan 8.190 nan 0.000 0.450 226 T N -0.533 114.084 114.554 0.104 0.000 2.622 226 T HA -0.224 4.127 4.350 0.001 0.000 0.266 226 T C 2.211 176.964 174.700 0.089 0.000 1.047 226 T CA 2.363 64.514 62.100 0.085 0.000 1.159 226 T CB -0.603 68.286 68.868 0.036 0.000 0.863 226 T HN 0.808 nan 8.240 nan 0.000 0.422 227 E N 1.170 121.414 120.200 0.074 0.000 2.208 227 E HA -0.161 4.189 4.350 0.001 0.000 0.202 227 E C 2.186 178.833 176.600 0.078 0.000 1.014 227 E CA 1.926 58.360 56.400 0.057 0.000 0.819 227 E CB -1.187 28.544 29.700 0.051 0.000 0.735 227 E HN 0.672 nan 8.360 nan 0.000 0.469 228 A N 0.110 123.021 122.820 0.152 0.000 1.819 228 A HA -0.017 4.304 4.320 0.001 0.000 0.215 228 A C 2.268 180.006 177.584 0.256 0.000 1.226 228 A CA 1.964 54.157 52.037 0.261 0.000 0.608 228 A CB -1.030 18.203 19.000 0.389 0.000 0.877 228 A HN 0.755 nan 8.150 nan 0.000 0.452 229 H N 0.020 119.162 119.070 0.120 0.000 2.437 229 H HA -0.141 4.416 4.556 0.001 0.000 0.296 229 H C 1.567 176.801 175.328 -0.158 0.000 1.121 229 H CA 2.186 58.060 56.048 -0.290 0.000 1.255 229 H CB -0.416 29.096 29.762 -0.416 0.000 1.366 229 H HN 0.104 nan 8.280 nan 0.000 0.512 230 V N 0.057 119.791 119.914 -0.299 0.000 2.488 230 V HA -0.070 4.051 4.120 0.001 0.000 0.246 230 V C 2.642 178.616 176.094 -0.199 0.000 1.046 230 V CA 1.428 63.530 62.300 -0.330 0.000 1.053 230 V CB -1.033 30.702 31.823 -0.147 0.000 0.679 230 V HN 0.652 nan 8.190 nan 0.000 0.458 231 A N 0.399 123.163 122.820 -0.092 0.000 2.238 231 A HA -0.001 4.320 4.320 0.001 0.000 0.208 231 A C 1.946 179.503 177.584 -0.045 0.000 1.177 231 A CA 1.381 53.389 52.037 -0.048 0.000 0.804 231 A CB -0.479 18.518 19.000 -0.004 0.000 0.823 231 A HN 0.611 nan 8.150 nan 0.000 0.482 232 T N -3.667 110.843 114.554 -0.073 0.000 3.200 232 T HA 0.255 4.606 4.350 0.001 0.000 0.284 232 T C -0.161 174.471 174.700 -0.114 0.000 1.009 232 T CA -0.314 61.760 62.100 -0.044 0.000 0.907 232 T CB -0.524 68.377 68.868 0.055 0.000 1.120 232 T HN 0.178 nan 8.240 nan 0.000 0.534 233 N N 1.706 120.281 118.700 -0.208 0.000 2.446 233 N HA 0.614 5.355 4.740 0.001 0.000 0.265 233 N C -0.208 175.212 175.510 -0.150 0.000 0.975 233 N CA -0.351 52.562 53.050 -0.228 0.000 0.928 233 N CB 1.554 39.753 38.487 -0.480 0.000 1.160 233 N HN 0.440 nan 8.380 nan 0.000 0.495 234 A N 2.620 125.378 122.820 -0.103 0.000 2.567 234 A HA 0.118 4.438 4.320 0.001 0.000 0.240 234 A C 0.702 178.267 177.584 -0.030 0.000 1.053 234 A CA 0.297 52.299 52.037 -0.059 0.000 0.755 234 A CB -0.081 18.892 19.000 -0.044 0.000 0.978 234 A HN 0.878 nan 8.150 nan 0.000 0.507 235 Q N 0.179 119.984 119.800 0.008 0.000 2.332 235 Q HA -0.247 4.094 4.340 0.001 0.000 0.222 235 Q C 1.230 177.290 176.000 0.100 0.000 0.758 235 Q CA 2.703 58.548 55.803 0.071 0.000 1.355 235 Q CB -2.422 26.400 28.738 0.140 0.000 1.705 235 Q HN 2.677 nan 8.270 nan 0.000 0.638 236 G N -0.859 107.951 108.800 0.017 0.000 2.602 236 G HA2 -0.379 3.582 3.960 0.001 0.000 0.306 236 G HA3 -0.379 3.582 3.960 0.001 0.000 0.306 236 G C 0.222 175.195 174.900 0.122 0.000 1.301 236 G CA 0.313 45.423 45.100 0.016 0.000 0.974 236 G HN 0.672 nan 8.290 nan 0.000 0.547 237 S N 0.794 116.600 115.700 0.177 0.000 3.266 237 S HA 0.411 4.882 4.470 0.001 0.000 0.209 237 S C 0.369 175.156 174.600 0.311 0.000 1.409 237 S CA 0.103 58.480 58.200 0.296 0.000 1.179 237 S CB -0.060 63.258 63.200 0.197 0.000 1.218 237 S HN 0.687 nan 8.310 nan 0.000 0.514 238 H N 0.419 119.630 119.070 0.236 0.000 3.043 238 H HA 0.075 4.632 4.556 0.001 0.000 0.244 238 H C 0.727 176.142 175.328 0.144 0.000 1.199 238 H CA -0.301 55.818 56.048 0.117 0.000 0.956 238 H CB 0.074 29.880 29.762 0.073 0.000 2.305 238 H HN 0.670 nan 8.280 nan 0.000 0.665 239 W N 1.348 122.666 121.300 0.029 0.000 2.452 239 W HA 0.036 4.697 4.660 0.002 0.000 0.313 239 W C 1.217 177.715 176.519 -0.035 0.000 1.176 239 W CA 0.300 57.645 57.345 0.001 0.000 1.350 239 W CB -0.828 28.620 29.460 -0.020 0.000 1.148 239 W HN -0.029 nan 8.180 nan 0.000 0.498 240 K N 1.241 121.107 120.400 -0.891 0.000 2.455 240 K HA -0.239 4.081 4.320 0.001 0.000 0.200 240 K C 2.314 178.705 176.600 -0.349 0.000 1.045 240 K CA 2.444 58.231 56.287 -0.833 0.000 0.932 240 K CB -0.461 31.466 32.500 -0.954 0.000 0.754 240 K HN 0.504 nan 8.250 nan 0.000 0.486 241 Q N 0.829 120.498 119.800 -0.218 0.000 2.220 241 Q HA 0.061 4.402 4.340 0.001 0.000 0.205 241 Q C 1.192 177.190 176.000 -0.005 0.000 0.865 241 Q CA 0.251 55.992 55.803 -0.104 0.000 0.960 241 Q CB 0.251 28.909 28.738 -0.133 0.000 1.097 241 Q HN 0.090 nan 8.270 nan 0.000 0.493 242 K N -0.812 119.593 120.400 0.008 0.000 2.481 242 K HA 0.175 4.496 4.320 0.001 0.000 0.210 242 K C 0.224 176.824 176.600 -0.000 0.000 1.161 242 K CA -0.303 56.008 56.287 0.039 0.000 1.023 242 K CB 0.964 33.513 32.500 0.083 0.000 0.971 242 K HN 0.388 nan 8.250 nan 0.000 0.577 243 R N 2.675 123.140 120.500 -0.059 0.000 2.483 243 R HA -0.026 4.314 4.340 0.001 0.000 0.329 243 R C -0.709 175.449 176.300 -0.236 0.000 0.961 243 R CA 0.762 56.748 56.100 -0.190 0.000 1.041 243 R CB 0.093 30.200 30.300 -0.321 0.000 0.930 243 R HN -0.136 nan 8.270 nan 0.000 0.413 244 K N 5.960 126.245 120.400 -0.192 0.000 2.527 244 K HA 0.163 4.484 4.320 0.001 0.000 0.240 244 K C -1.003 175.567 176.600 -0.051 0.000 0.989 244 K CA -0.568 55.695 56.287 -0.041 0.000 0.985 244 K CB 0.898 33.420 32.500 0.036 0.000 1.221 244 K HN 0.329 nan 8.250 nan 0.000 0.458 245 F N 2.306 122.290 119.950 0.057 0.000 2.612 245 F HA -0.059 4.469 4.527 0.001 0.000 0.389 245 F C 0.909 176.748 175.800 0.065 0.000 1.055 245 F CA -0.504 57.536 58.000 0.067 0.000 1.232 245 F CB -0.059 38.971 39.000 0.050 0.000 1.044 245 F HN 0.327 nan 8.300 nan 0.000 0.560 246 L N 6.390 127.739 121.223 0.211 0.000 2.456 246 L HA 0.271 4.612 4.340 0.001 0.000 0.272 246 L C -2.072 174.864 176.870 0.110 0.000 1.189 246 L CA -1.519 53.403 54.840 0.137 0.000 0.846 246 L CB -0.197 41.937 42.059 0.125 0.000 1.111 246 L HN 0.364 nan 8.230 nan 0.000 0.475 247 P HA -0.035 nan 4.420 nan 0.000 0.265 247 P C 0.263 177.569 177.300 0.011 0.000 1.187 247 P CA 0.077 63.191 63.100 0.023 0.000 0.766 247 P CB 0.421 32.112 31.700 -0.015 0.000 0.820 248 E N 2.713 122.922 120.200 0.016 0.000 2.160 248 E HA -0.278 4.073 4.350 0.001 0.000 0.195 248 E C 1.008 177.602 176.600 -0.009 0.000 0.991 248 E CA 1.489 57.895 56.400 0.011 0.000 0.810 248 E CB -0.100 29.604 29.700 0.006 0.000 0.742 248 E HN 0.542 nan 8.360 nan 0.000 0.466 249 D N 0.597 120.983 120.400 -0.024 0.000 2.312 249 D HA -0.130 4.511 4.640 0.001 0.000 0.211 249 D C 0.858 177.121 176.300 -0.062 0.000 0.964 249 D CA 0.292 54.270 54.000 -0.037 0.000 0.877 249 D CB -0.267 40.512 40.800 -0.034 0.000 0.924 249 D HN 0.276 nan 8.370 nan 0.000 0.515 250 I N 1.211 121.724 120.570 -0.095 0.000 2.311 250 I HA 0.373 4.544 4.170 0.001 0.000 0.297 250 I C 0.612 176.663 176.117 -0.111 0.000 1.131 250 I CA 0.098 61.308 61.300 -0.151 0.000 1.289 250 I CB 0.449 38.274 38.000 -0.291 0.000 1.446 250 I HN 0.113 nan 8.210 nan 0.000 0.524 251 G N 3.698 112.451 108.800 -0.079 0.000 2.798 251 G HA2 0.204 4.165 3.960 0.001 0.000 0.658 251 G HA3 0.204 4.165 3.960 0.001 0.000 0.658 251 G C -0.744 174.142 174.900 -0.024 0.000 1.148 251 G CA -0.082 44.991 45.100 -0.044 0.000 1.200 251 G HN 0.840 nan 8.290 nan 0.000 0.519 252 Q N 0.067 119.854 119.800 -0.022 0.000 3.047 252 Q HA 0.960 5.301 4.340 0.001 0.000 0.211 252 Q C 1.095 177.087 176.000 -0.013 0.000 1.151 252 Q CA 0.910 56.703 55.803 -0.016 0.000 0.364 252 Q CB -0.163 28.565 28.738 -0.018 0.000 5.593 252 Q HN 2.488 nan 8.270 nan 0.000 0.295 253 A N 2.635 125.447 122.820 -0.013 0.000 2.923 253 A HA 0.625 4.946 4.320 0.001 0.000 0.306 253 A C -1.775 175.803 177.584 -0.010 0.000 1.542 253 A CA -0.786 51.245 52.037 -0.011 0.000 1.225 253 A CB -1.245 17.749 19.000 -0.010 0.000 1.147 253 A HN 0.538 nan 8.150 nan 0.000 0.542 264 V N -0.505 119.405 119.914 -0.007 0.000 4.876 264 V HA 0.817 4.937 4.120 0.001 0.000 0.280 264 V C -0.680 175.414 176.094 -0.000 0.000 1.427 264 V CA 0.552 62.847 62.300 -0.007 0.000 0.805 264 V CB 1.684 33.473 31.823 -0.056 0.000 1.337 264 V HN 1.103 nan 8.190 nan 0.000 0.439 265 D N -1.697 118.706 120.400 0.005 0.000 2.926 265 D HA 0.182 4.823 4.640 0.001 0.000 0.234 265 D C 0.540 176.853 176.300 0.021 0.000 1.434 265 D CA -0.173 53.828 54.000 0.001 0.000 0.951 265 D CB -0.323 40.472 40.800 -0.008 0.000 1.500 265 D HN 0.310 nan 8.370 nan 0.000 0.558 266 L N 1.015 122.254 121.223 0.028 0.000 2.103 266 L HA -0.192 4.149 4.340 0.001 0.000 0.215 266 L C 2.304 179.226 176.870 0.086 0.000 1.080 266 L CA 1.696 56.588 54.840 0.087 0.000 0.764 266 L CB -0.274 41.819 42.059 0.057 0.000 0.890 266 L HN 0.522 nan 8.230 nan 0.000 0.435 267 E N 0.152 120.365 120.200 0.021 0.000 2.160 267 E HA -0.251 4.099 4.350 0.001 0.000 0.195 267 E C 2.114 178.679 176.600 -0.059 0.000 0.991 267 E CA 1.209 57.613 56.400 0.007 0.000 0.810 267 E CB 0.065 29.740 29.700 -0.042 0.000 0.742 267 E HN 0.522 nan 8.360 nan 0.000 0.466 268 A N 0.672 123.392 122.820 -0.168 0.000 1.835 268 A HA -0.086 4.235 4.320 0.001 0.000 0.213 268 A C 1.951 179.246 177.584 -0.481 0.000 1.210 268 A CA 0.886 52.642 52.037 -0.469 0.000 0.605 268 A CB -1.057 17.670 19.000 -0.455 0.000 0.860 268 A HN 0.481 nan 8.150 nan 0.000 0.447 269 F N 1.397 121.180 119.950 -0.278 0.000 2.135 269 F HA -0.285 4.243 4.527 0.001 0.000 0.300 269 F C 2.575 178.301 175.800 -0.125 0.000 1.074 269 F CA 1.921 59.852 58.000 -0.115 0.000 1.262 269 F CB -0.379 38.588 39.000 -0.055 0.000 1.013 269 F HN 0.249 nan 8.300 nan 0.000 0.489 270 S N -0.849 114.804 115.700 -0.079 0.000 2.325 270 S HA -0.237 4.234 4.470 0.001 0.000 0.213 270 S C 1.887 176.382 174.600 -0.176 0.000 1.031 270 S CA 1.457 59.575 58.200 -0.136 0.000 0.984 270 S CB -0.769 62.438 63.200 0.011 0.000 0.939 270 S HN 0.606 nan 8.310 nan 0.000 0.438 271 H N -0.062 118.859 119.070 -0.248 0.000 2.501 271 H HA -0.101 4.456 4.556 0.001 0.000 0.296 271 H C 1.541 176.823 175.328 -0.076 0.000 1.115 271 H CA 2.084 58.016 56.048 -0.193 0.000 1.242 271 H CB -0.290 29.326 29.762 -0.243 0.000 1.363 271 H HN 0.366 nan 8.280 nan 0.000 0.537 272 F N -0.609 119.275 119.950 -0.111 0.000 2.123 272 F HA -0.066 4.461 4.527 0.001 0.000 0.289 272 F C 2.748 178.332 175.800 -0.360 0.000 1.099 272 F CA 1.529 59.404 58.000 -0.209 0.000 1.234 272 F CB -1.323 37.540 39.000 -0.229 0.000 1.034 272 F HN 0.176 nan 8.300 nan 0.000 0.479 273 T N -1.794 112.517 114.554 -0.404 0.000 3.098 273 T HA -0.028 4.323 4.350 0.001 0.000 0.266 273 T C 1.802 176.305 174.700 -0.329 0.000 1.145 273 T CA 1.316 63.063 62.100 -0.588 0.000 1.092 273 T CB -0.748 67.544 68.868 -0.959 0.000 0.908 273 T HN 0.239 nan 8.240 nan 0.000 0.526 274 K N 1.883 122.150 120.400 -0.222 0.000 2.365 274 K HA 0.326 4.646 4.320 0.001 0.000 0.199 274 K C 2.059 178.594 176.600 -0.108 0.000 1.045 274 K CA 1.192 57.385 56.287 -0.156 0.000 0.962 274 K CB -0.891 31.504 32.500 -0.174 0.000 0.759 274 K HN 0.951 nan 8.250 nan 0.000 0.469 275 I N -4.781 115.730 120.570 -0.097 0.000 4.456 275 I HA 0.318 4.489 4.170 0.001 0.000 0.329 275 I C 1.924 178.001 176.117 -0.067 0.000 1.313 275 I CA -0.256 61.007 61.300 -0.061 0.000 1.205 275 I CB 0.318 38.302 38.000 -0.027 0.000 1.179 275 I HN -0.043 nan 8.210 nan 0.000 0.419 276 I N 2.788 123.286 120.570 -0.119 0.000 2.657 276 I HA -0.197 3.974 4.170 0.001 0.000 0.261 276 I C 1.971 178.076 176.117 -0.019 0.000 1.212 276 I CA 1.876 63.112 61.300 -0.106 0.000 1.453 276 I CB -0.420 37.422 38.000 -0.264 0.000 1.092 276 I HN 0.237 nan 8.210 nan 0.000 0.452 277 T N 2.509 117.051 114.554 -0.021 0.000 2.668 277 T HA -0.006 4.345 4.350 0.001 0.000 0.258 277 T C -0.541 174.178 174.700 0.032 0.000 1.051 277 T CA 1.688 63.807 62.100 0.033 0.000 1.155 277 T CB -1.428 67.456 68.868 0.027 0.000 0.864 277 T HN 0.348 nan 8.240 nan 0.000 0.413 278 P HA 0.096 nan 4.420 nan 0.000 0.231 278 P C 0.958 178.262 177.300 0.007 0.000 1.158 278 P CA 0.817 63.923 63.100 0.010 0.000 0.763 278 P CB -0.051 31.649 31.700 0.000 0.000 0.805 279 A N 0.366 123.189 122.820 0.006 0.000 1.878 279 A HA -0.014 4.306 4.320 0.001 0.000 0.213 279 A C 2.295 179.888 177.584 0.015 0.000 1.192 279 A CA 0.656 52.692 52.037 -0.001 0.000 0.619 279 A CB -1.175 17.819 19.000 -0.011 0.000 0.837 279 A HN 0.064 nan 8.150 nan 0.000 0.446 280 I N 0.854 121.450 120.570 0.042 0.000 2.226 280 I HA -0.251 3.919 4.170 0.001 0.000 0.245 280 I C 2.883 179.019 176.117 0.033 0.000 1.100 280 I CA 1.876 63.205 61.300 0.048 0.000 1.374 280 I CB -0.909 37.145 38.000 0.090 0.000 1.057 280 I HN 0.545 nan 8.210 nan 0.000 0.413 281 T N -0.671 113.905 114.554 0.036 0.000 2.665 281 T HA -0.296 4.054 4.350 0.001 0.000 0.268 281 T C 2.006 176.725 174.700 0.031 0.000 1.035 281 T CA 1.507 63.626 62.100 0.033 0.000 1.151 281 T CB -0.481 68.406 68.868 0.030 0.000 0.862 281 T HN 0.181 nan 8.240 nan 0.000 0.438 282 R N 0.685 121.199 120.500 0.024 0.000 2.080 282 R HA -0.018 4.322 4.340 0.001 0.000 0.236 282 R C 2.628 178.961 176.300 0.056 0.000 1.137 282 R CA 1.625 57.742 56.100 0.027 0.000 0.943 282 R CB -1.131 29.169 30.300 0.001 0.000 0.846 282 R HN 0.393 nan 8.270 nan 0.000 0.431 283 V N -0.161 119.776 119.914 0.038 0.000 2.324 283 V HA -0.282 3.839 4.120 0.001 0.000 0.250 283 V C 2.239 178.363 176.094 0.049 0.000 1.060 283 V CA 1.984 64.318 62.300 0.057 0.000 1.042 283 V CB -0.516 31.309 31.823 0.004 0.000 0.650 283 V HN 0.174 nan 8.190 nan 0.000 0.450 284 V N 0.084 120.011 119.914 0.020 0.000 2.261 284 V HA -0.264 3.857 4.120 0.001 0.000 0.246 284 V C 2.292 178.398 176.094 0.020 0.000 1.047 284 V CA 2.251 64.556 62.300 0.009 0.000 1.015 284 V CB -0.791 31.052 31.823 0.034 0.000 0.642 284 V HN 0.563 nan 8.190 nan 0.000 0.446 285 D N -0.428 120.001 120.400 0.048 0.000 2.182 285 D HA -0.201 4.440 4.640 0.001 0.000 0.201 285 D C 1.921 178.267 176.300 0.076 0.000 0.986 285 D CA 1.482 55.516 54.000 0.056 0.000 0.847 285 D CB -0.197 40.636 40.800 0.055 0.000 0.942 285 D HN 0.498 nan 8.370 nan 0.000 0.467 286 F N 1.988 121.897 119.950 -0.068 0.000 2.084 286 F HA -0.059 4.469 4.527 0.001 0.000 0.296 286 F C 2.256 177.969 175.800 -0.145 0.000 1.111 286 F CA 1.417 59.365 58.000 -0.087 0.000 1.224 286 F CB -0.581 38.364 39.000 -0.091 0.000 0.991 286 F HN -0.084 nan 8.300 nan 0.000 0.471 287 A N 0.506 122.970 122.820 -0.593 0.000 2.019 287 A HA -0.166 4.155 4.320 0.001 0.000 0.219 287 A C 2.241 179.579 177.584 -0.410 0.000 1.164 287 A CA 1.523 52.984 52.037 -0.960 0.000 0.644 287 A CB -0.726 17.422 19.000 -1.421 0.000 0.805 287 A HN 0.485 nan 8.150 nan 0.000 0.449 288 K N -0.124 120.223 120.400 -0.088 0.000 2.209 288 K HA -0.092 4.228 4.320 0.001 0.000 0.204 288 K C 1.429 178.049 176.600 0.033 0.000 1.048 288 K CA 1.296 57.650 56.287 0.110 0.000 0.940 288 K CB -0.110 32.441 32.500 0.086 0.000 0.729 288 K HN 0.433 nan 8.250 nan 0.000 0.451 289 K N 0.681 121.049 120.400 -0.053 0.000 2.487 289 K HA 0.089 4.410 4.320 0.001 0.000 0.192 289 K C 0.182 176.745 176.600 -0.062 0.000 1.027 289 K CA 0.183 56.450 56.287 -0.033 0.000 1.054 289 K CB 0.141 32.644 32.500 0.005 0.000 0.824 289 K HN 0.071 nan 8.250 nan 0.000 0.510 290 L N 1.815 122.961 121.223 -0.128 0.000 2.260 290 L HA 0.164 4.504 4.340 0.001 0.000 0.289 290 L C -1.867 174.998 176.870 -0.009 0.000 1.057 290 L CA -1.949 52.830 54.840 -0.102 0.000 0.811 290 L CB 0.967 42.872 42.059 -0.256 0.000 1.184 290 L HN -0.185 nan 8.230 nan 0.000 0.429 291 P HA -0.171 nan 4.420 nan 0.000 0.213 291 P C 1.700 178.957 177.300 -0.071 0.000 1.170 291 P CA 1.502 64.587 63.100 -0.026 0.000 0.898 291 P CB 0.143 31.826 31.700 -0.028 0.000 0.787 292 M N -2.939 116.550 119.600 -0.186 0.000 2.419 292 M HA -0.194 4.287 4.480 0.001 0.000 0.260 292 M C 1.888 177.977 176.300 -0.352 0.000 1.073 292 M CA 1.562 56.514 55.300 -0.579 0.000 1.056 292 M CB -0.844 31.114 32.600 -1.071 0.000 1.394 292 M HN -0.042 nan 8.290 nan 0.000 0.444 293 F N 0.583 120.368 119.950 -0.275 0.000 2.147 293 F HA -0.066 4.462 4.527 0.001 0.000 0.291 293 F C 2.241 177.989 175.800 -0.086 0.000 1.093 293 F CA 0.968 58.864 58.000 -0.173 0.000 1.263 293 F CB -0.547 38.331 39.000 -0.203 0.000 1.036 293 F HN 0.050 nan 8.300 nan 0.000 0.481 294 C N 1.172 120.389 119.300 -0.139 0.000 2.430 294 C HA -0.070 4.390 4.460 0.001 0.000 0.288 294 C C 1.851 176.757 174.990 -0.141 0.000 1.448 294 C CA 0.457 59.350 59.018 -0.208 0.000 1.784 294 C CB -1.393 26.297 27.740 -0.083 0.000 1.776 294 C HN 0.358 nan 8.230 nan 0.000 0.547 295 E N 0.659 120.820 120.200 -0.064 0.000 2.359 295 E HA 0.266 4.617 4.350 0.001 0.000 0.187 295 E C 0.082 176.702 176.600 0.034 0.000 1.081 295 E CA 0.286 56.699 56.400 0.020 0.000 0.929 295 E CB 0.045 29.821 29.700 0.127 0.000 1.086 295 E HN 0.652 nan 8.360 nan 0.000 0.462 296 L N 0.250 121.429 121.223 -0.072 0.000 2.301 296 L HA 0.454 4.794 4.340 0.001 0.000 0.264 296 L C -2.348 174.442 176.870 -0.133 0.000 1.016 296 L CA -2.412 52.384 54.840 -0.074 0.000 0.821 296 L CB 1.522 43.523 42.059 -0.097 0.000 1.346 296 L HN -0.213 nan 8.230 nan 0.000 0.429 297 P HA 0.027 nan 4.420 nan 0.000 0.271 297 P C 0.428 177.656 177.300 -0.120 0.000 1.218 297 P CA -0.578 62.469 63.100 -0.088 0.000 0.780 297 P CB 0.606 32.274 31.700 -0.053 0.000 0.901 298 C N 0.869 120.107 119.300 -0.103 0.000 2.422 298 C HA -0.047 4.413 4.460 0.001 0.000 0.286 298 C C 1.865 176.813 174.990 -0.069 0.000 1.412 298 C CA 0.640 59.597 59.018 -0.102 0.000 1.786 298 C CB -1.721 25.976 27.740 -0.071 0.000 1.835 298 C HN 0.522 nan 8.230 nan 0.000 0.533 299 E N 1.330 121.498 120.200 -0.053 0.000 2.112 299 E HA -0.060 4.291 4.350 0.001 0.000 0.190 299 E C 1.897 178.480 176.600 -0.029 0.000 0.979 299 E CA 1.567 57.947 56.400 -0.034 0.000 0.814 299 E CB -0.185 29.499 29.700 -0.025 0.000 0.762 299 E HN 0.672 nan 8.360 nan 0.000 0.460 300 D N 0.353 120.731 120.400 -0.037 0.000 2.137 300 D HA -0.099 4.542 4.640 0.001 0.000 0.202 300 D C 1.766 178.069 176.300 0.006 0.000 0.970 300 D CA 0.635 54.627 54.000 -0.014 0.000 0.837 300 D CB -0.195 40.599 40.800 -0.009 0.000 0.981 300 D HN 0.206 nan 8.370 nan 0.000 0.475 301 Q N 0.138 119.892 119.800 -0.076 0.000 2.268 301 Q HA -0.171 4.170 4.340 0.001 0.000 0.210 301 Q C 2.029 178.120 176.000 0.152 0.000 0.988 301 Q CA 0.854 56.613 55.803 -0.075 0.000 0.883 301 Q CB 0.097 28.572 28.738 -0.440 0.000 0.911 301 Q HN 0.317 nan 8.270 nan 0.000 0.430 302 I N 0.259 120.856 120.570 0.046 0.000 2.206 302 I HA -0.200 3.970 4.170 0.001 0.000 0.239 302 I C 2.310 178.436 176.117 0.015 0.000 1.078 302 I CA 1.041 62.362 61.300 0.035 0.000 1.367 302 I CB -1.156 36.845 38.000 0.001 0.000 1.078 302 I HN 0.226 nan 8.210 nan 0.000 0.413 303 I N 0.684 121.256 120.570 0.003 0.000 2.147 303 I HA -0.376 3.794 4.170 0.001 0.000 0.245 303 I C 2.503 178.609 176.117 -0.018 0.000 1.059 303 I CA 1.459 62.750 61.300 -0.015 0.000 1.320 303 I CB -0.533 37.464 38.000 -0.005 0.000 1.021 303 I HN 0.187 nan 8.210 nan 0.000 0.415 304 L N 0.082 121.323 121.223 0.029 0.000 1.976 304 L HA -0.196 4.145 4.340 0.001 0.000 0.209 304 L C 2.449 179.292 176.870 -0.045 0.000 1.071 304 L CA 1.806 56.657 54.840 0.018 0.000 0.746 304 L CB -1.127 41.004 42.059 0.119 0.000 0.890 304 L HN 0.189 nan 8.230 nan 0.000 0.432 305 L N -0.691 120.522 121.223 -0.017 0.000 1.997 305 L HA -0.334 4.007 4.340 0.001 0.000 0.216 305 L C 2.603 179.380 176.870 -0.155 0.000 1.074 305 L CA 1.651 56.443 54.840 -0.081 0.000 0.763 305 L CB -0.677 41.369 42.059 -0.023 0.000 0.890 305 L HN 0.300 nan 8.230 nan 0.000 0.434 306 K N -0.314 119.989 120.400 -0.161 0.000 2.074 306 K HA -0.173 4.147 4.320 0.001 0.000 0.209 306 K C 2.066 178.479 176.600 -0.311 0.000 1.048 306 K CA 1.479 57.604 56.287 -0.270 0.000 0.926 306 K CB -0.497 31.881 32.500 -0.204 0.000 0.713 306 K HN 0.487 nan 8.250 nan 0.000 0.444 307 G N 0.920 109.603 108.800 -0.196 0.000 2.396 307 G HA2 -0.218 3.742 3.960 0.001 0.000 0.214 307 G HA3 -0.218 3.742 3.960 0.001 0.000 0.214 307 G C 1.723 176.522 174.900 -0.167 0.000 1.166 307 G CA 0.912 45.912 45.100 -0.168 0.000 0.793 307 G HN 0.540 nan 8.290 nan 0.000 0.533 308 C N -1.146 118.063 119.300 -0.152 0.000 2.697 308 C HA 0.295 4.756 4.460 0.001 0.000 0.267 308 C C 2.607 177.506 174.990 -0.151 0.000 1.278 308 C CA -0.350 58.587 59.018 -0.135 0.000 1.708 308 C CB -1.541 26.127 27.740 -0.120 0.000 1.860 308 C HN 0.429 nan 8.230 nan 0.000 0.589 309 C N 1.495 120.672 119.300 -0.204 0.000 2.413 309 C HA -0.157 4.304 4.460 0.001 0.000 0.277 309 C C 2.813 177.723 174.990 -0.133 0.000 1.228 309 C CA 2.230 61.138 59.018 -0.183 0.000 1.731 309 C CB -1.196 26.388 27.740 -0.260 0.000 2.042 309 C HN 0.696 nan 8.230 nan 0.000 0.468 310 M N 1.438 120.938 119.600 -0.167 0.000 2.086 310 M HA -0.100 4.380 4.480 0.001 0.000 0.261 310 M C 1.985 178.242 176.300 -0.072 0.000 1.067 310 M CA 2.075 57.329 55.300 -0.077 0.000 1.116 310 M CB -1.051 31.482 32.600 -0.112 0.000 1.348 310 M HN 0.513 nan 8.290 nan 0.000 0.407 311 E N -0.039 120.110 120.200 -0.084 0.000 2.086 311 E HA -0.250 4.101 4.350 0.001 0.000 0.200 311 E C 2.093 178.640 176.600 -0.088 0.000 1.012 311 E CA 2.018 58.373 56.400 -0.074 0.000 0.812 311 E CB -0.607 29.047 29.700 -0.077 0.000 0.743 311 E HN 0.593 nan 8.360 nan 0.000 0.453 312 I N 0.477 120.988 120.570 -0.098 0.000 2.315 312 I HA -0.245 3.925 4.170 0.001 0.000 0.248 312 I C 2.549 178.592 176.117 -0.123 0.000 1.117 312 I CA 0.839 62.069 61.300 -0.118 0.000 1.404 312 I CB -0.207 37.734 38.000 -0.099 0.000 1.071 312 I HN 0.161 nan 8.210 nan 0.000 0.419 313 M N 0.530 120.076 119.600 -0.091 0.000 2.066 313 M HA -0.196 4.284 4.480 0.001 0.000 0.259 313 M C 2.734 178.974 176.300 -0.099 0.000 1.074 313 M CA 2.411 57.660 55.300 -0.084 0.000 1.114 313 M CB -0.574 32.000 32.600 -0.044 0.000 1.306 313 M HN 0.321 nan 8.290 nan 0.000 0.411 314 S N 0.971 116.624 115.700 -0.079 0.000 2.402 314 S HA -0.192 4.279 4.470 0.001 0.000 0.233 314 S C 1.777 176.306 174.600 -0.118 0.000 1.030 314 S CA 1.467 59.615 58.200 -0.087 0.000 1.003 314 S CB -1.019 62.154 63.200 -0.045 0.000 0.813 314 S HN 0.401 nan 8.310 nan 0.000 0.477 315 L N 2.262 123.412 121.223 -0.121 0.000 1.970 315 L HA -0.031 4.310 4.340 0.001 0.000 0.212 315 L C 2.588 179.358 176.870 -0.166 0.000 1.071 315 L CA 1.832 56.588 54.840 -0.140 0.000 0.751 315 L CB -0.888 41.081 42.059 -0.149 0.000 0.889 315 L HN 0.180 nan 8.230 nan 0.000 0.432 316 R N -0.447 119.945 120.500 -0.180 0.000 2.226 316 R HA -0.195 4.146 4.340 0.001 0.000 0.246 316 R C 2.039 178.214 176.300 -0.208 0.000 1.161 316 R CA 1.193 57.179 56.100 -0.190 0.000 0.997 316 R CB -0.617 29.583 30.300 -0.166 0.000 0.870 316 R HN 0.631 nan 8.270 nan 0.000 0.465 317 A N 0.768 123.472 122.820 -0.193 0.000 1.887 317 A HA 0.146 4.467 4.320 0.001 0.000 0.212 317 A C 2.342 179.792 177.584 -0.223 0.000 1.198 317 A CA 0.820 52.728 52.037 -0.214 0.000 0.628 317 A CB -0.466 18.417 19.000 -0.195 0.000 0.847 317 A HN 0.305 nan 8.150 nan 0.000 0.449 318 A N 0.392 123.088 122.820 -0.207 0.000 1.892 318 A HA -0.125 4.195 4.320 0.001 0.000 0.218 318 A C 2.207 179.715 177.584 -0.127 0.000 1.188 318 A CA 2.377 54.298 52.037 -0.192 0.000 0.631 318 A CB -1.521 17.372 19.000 -0.177 0.000 0.822 318 A HN 1.269 nan 8.150 nan 0.000 0.447 319 V N -3.044 116.783 119.914 -0.144 0.000 3.284 319 V HA -0.014 4.107 4.120 0.001 0.000 0.273 319 V C 1.302 177.300 176.094 -0.160 0.000 1.178 319 V CA 1.961 64.189 62.300 -0.119 0.000 1.177 319 V CB -0.974 30.770 31.823 -0.132 0.000 0.793 319 V HN 0.481 nan 8.190 nan 0.000 0.536 320 R N -0.487 119.883 120.500 -0.218 0.000 2.700 320 R HA 0.307 4.647 4.340 0.001 0.000 0.399 320 R C -0.570 175.739 176.300 0.016 0.000 1.115 320 R CA -0.518 55.382 56.100 -0.333 0.000 1.058 320 R CB 0.512 30.352 30.300 -0.766 0.000 1.389 320 R HN 0.638 nan 8.270 nan 0.000 0.582 321 Y N 1.297 121.563 120.300 -0.056 0.000 2.383 321 Y HA 0.177 4.728 4.550 0.001 0.000 0.344 321 Y C -0.388 175.567 175.900 0.092 0.000 0.986 321 Y CA -1.505 56.573 58.100 -0.037 0.000 1.175 321 Y CB 0.661 39.035 38.460 -0.143 0.000 1.152 321 Y HN -0.011 nan 8.280 nan 0.000 0.511 322 D N 9.508 129.657 120.400 -0.419 0.000 2.365 322 D HA 0.140 4.781 4.640 0.001 0.000 0.237 322 D C -1.798 173.994 176.300 -0.846 0.000 1.190 322 D CA -2.204 51.553 54.000 -0.405 0.000 0.867 322 D CB 1.705 42.433 40.800 -0.120 0.000 1.050 322 D HN 0.432 nan 8.370 nan 0.000 0.491 323 P HA -0.141 nan 4.420 nan 0.000 0.218 323 P C 0.850 178.062 177.300 -0.148 0.000 1.149 323 P CA 0.714 63.505 63.100 -0.515 0.000 0.817 323 P CB 0.791 32.408 31.700 -0.139 0.000 0.785 324 E N 1.251 121.383 120.200 -0.114 0.000 2.000 324 E HA -0.148 4.203 4.350 0.001 0.000 0.199 324 E C 2.321 178.921 176.600 -0.002 0.000 1.011 324 E CA 1.999 58.378 56.400 -0.035 0.000 0.836 324 E CB -1.345 28.334 29.700 -0.035 0.000 0.778 324 E HN 0.372 nan 8.360 nan 0.000 0.462 325 S N 0.411 116.116 115.700 0.008 0.000 2.442 325 S HA -0.163 4.308 4.470 0.001 0.000 0.236 325 S C 0.338 175.024 174.600 0.144 0.000 1.007 325 S CA 1.014 59.262 58.200 0.079 0.000 0.965 325 S CB -0.425 62.878 63.200 0.172 0.000 0.773 325 S HN 0.350 nan 8.310 nan 0.000 0.504 326 E N 1.320 121.597 120.200 0.129 0.000 2.257 326 E HA -0.138 4.213 4.350 0.001 0.000 0.217 326 E C -0.476 176.437 176.600 0.521 0.000 1.248 326 E CA 0.673 57.304 56.400 0.385 0.000 0.691 326 E CB -2.429 27.465 29.700 0.323 0.000 1.185 326 E HN 0.869 nan 8.360 nan 0.000 0.377 327 T N -1.990 112.840 114.554 0.461 0.000 3.041 327 T HA 0.637 4.988 4.350 0.001 0.000 0.321 327 T C 0.101 174.985 174.700 0.306 0.000 1.184 327 T CA -1.038 61.342 62.100 0.467 0.000 1.050 327 T CB 1.579 70.665 68.868 0.363 0.000 1.159 327 T HN 0.133 nan 8.240 nan 0.000 0.469 328 L N 1.502 122.815 121.223 0.151 0.000 2.490 328 L HA 0.650 4.991 4.340 0.001 0.000 0.245 328 L C 0.321 177.211 176.870 0.035 0.000 1.185 328 L CA -0.932 53.876 54.840 -0.054 0.000 0.813 328 L CB 0.872 42.718 42.059 -0.355 0.000 1.233 328 L HN 0.813 nan 8.230 nan 0.000 0.489 329 T N 1.852 116.405 114.554 -0.002 0.000 3.133 329 T HA 0.394 4.745 4.350 0.001 0.000 0.368 329 T C -0.436 174.236 174.700 -0.047 0.000 1.190 329 T CA -0.558 61.561 62.100 0.033 0.000 1.282 329 T CB 0.432 69.446 68.868 0.244 0.000 1.042 329 T HN 0.070 nan 8.240 nan 0.000 0.536 330 L N 2.771 123.962 121.223 -0.053 0.000 2.456 330 L HA 0.317 4.658 4.340 0.001 0.000 0.272 330 L C 1.444 178.285 176.870 -0.049 0.000 1.189 330 L CA 0.301 55.093 54.840 -0.079 0.000 0.846 330 L CB -0.347 41.655 42.059 -0.096 0.000 1.111 330 L HN 0.600 nan 8.230 nan 0.000 0.475 331 N N 1.728 120.389 118.700 -0.065 0.000 2.690 331 N HA -0.252 4.489 4.740 0.001 0.000 0.249 331 N C 1.032 176.527 175.510 -0.023 0.000 1.125 331 N CA 1.423 54.447 53.050 -0.044 0.000 0.794 331 N CB -0.752 37.719 38.487 -0.026 0.000 1.152 331 N HN 1.131 nan 8.380 nan 0.000 0.571 332 G N -1.901 106.888 108.800 -0.019 0.000 2.168 332 G HA2 -0.370 3.591 3.960 0.001 0.000 0.263 332 G HA3 -0.370 3.591 3.960 0.001 0.000 0.263 332 G C 0.637 175.585 174.900 0.081 0.000 0.977 332 G CA 1.048 46.180 45.100 0.053 0.000 0.659 332 G HN 0.641 nan 8.290 nan 0.000 0.533 333 E N -1.412 118.810 120.200 0.037 0.000 2.357 333 E HA 0.317 4.668 4.350 0.001 0.000 0.202 333 E C 1.279 177.878 176.600 -0.001 0.000 0.855 333 E CA -0.111 56.304 56.400 0.025 0.000 1.048 333 E CB 0.304 30.018 29.700 0.023 0.000 1.037 333 E HN 0.491 nan 8.360 nan 0.000 0.499 334 M N 1.806 121.412 119.600 0.010 0.000 2.157 334 M HA 0.441 4.922 4.480 0.001 0.000 0.354 334 M C -1.306 174.987 176.300 -0.013 0.000 1.170 334 M CA -0.391 54.919 55.300 0.017 0.000 1.060 334 M CB 1.096 33.751 32.600 0.091 0.000 1.615 334 M HN -0.029 nan 8.290 nan 0.000 0.460 335 A N 6.158 128.926 122.820 -0.087 0.000 2.253 335 A HA 0.597 4.918 4.320 0.001 0.000 0.316 335 A C -0.479 177.163 177.584 0.097 0.000 1.327 335 A CA -0.670 51.307 52.037 -0.099 0.000 0.917 335 A CB 0.163 18.848 19.000 -0.526 0.000 1.162 335 A HN 0.856 nan 8.150 nan 0.000 0.535 336 V N 1.030 121.049 119.914 0.173 0.000 3.093 336 V HA 0.940 5.061 4.120 0.001 0.000 0.320 336 V C 0.185 176.510 176.094 0.386 0.000 1.093 336 V CA -0.051 62.415 62.300 0.278 0.000 1.016 336 V CB 1.477 33.468 31.823 0.280 0.000 1.096 336 V HN 1.041 nan 8.190 nan 0.000 0.452 337 T N -0.785 113.968 114.554 0.332 0.000 2.918 337 T HA 0.456 4.807 4.350 0.001 0.000 0.286 337 T C 0.905 175.553 174.700 -0.087 0.000 1.026 337 T CA -0.077 62.168 62.100 0.242 0.000 1.031 337 T CB 1.736 70.677 68.868 0.122 0.000 1.046 337 T HN 0.997 nan 8.240 nan 0.000 0.479 338 R N 1.492 121.520 120.500 -0.787 0.000 2.162 338 R HA -0.195 4.146 4.340 0.001 0.000 0.245 338 R C 2.258 178.267 176.300 -0.486 0.000 1.129 338 R CA 2.605 57.873 56.100 -1.386 0.000 0.940 338 R CB -1.438 28.261 30.300 -1.000 0.000 0.875 338 R HN 0.908 nan 8.270 nan 0.000 0.437 339 G N 0.058 108.709 108.800 -0.248 0.000 2.639 339 G HA2 -0.366 3.594 3.960 0.001 0.000 0.216 339 G HA3 -0.366 3.594 3.960 0.001 0.000 0.216 339 G C 1.245 176.138 174.900 -0.012 0.000 1.267 339 G CA 1.214 46.253 45.100 -0.101 0.000 0.801 339 G HN 0.554 nan 8.290 nan 0.000 0.592 340 Q N -0.489 119.343 119.800 0.054 0.000 2.084 340 Q HA -0.266 4.074 4.340 0.001 0.000 0.215 340 Q C 2.541 178.732 176.000 0.318 0.000 1.020 340 Q CA 1.887 57.794 55.803 0.173 0.000 0.887 340 Q CB -0.531 28.353 28.738 0.243 0.000 0.975 340 Q HN 0.381 nan 8.270 nan 0.000 0.413 341 L N 0.905 122.288 121.223 0.268 0.000 2.079 341 L HA -0.212 4.129 4.340 0.001 0.000 0.210 341 L C 2.262 179.232 176.870 0.168 0.000 1.081 341 L CA 1.924 56.888 54.840 0.206 0.000 0.752 341 L CB -0.394 41.761 42.059 0.160 0.000 0.896 341 L HN 0.114 nan 8.230 nan 0.000 0.433 342 K N -0.697 119.748 120.400 0.074 0.000 1.973 342 K HA -0.162 4.158 4.320 0.001 0.000 0.210 342 K C 1.884 178.529 176.600 0.075 0.000 1.045 342 K CA 1.657 57.968 56.287 0.039 0.000 0.937 342 K CB -0.165 32.317 32.500 -0.031 0.000 0.721 342 K HN 0.401 nan 8.250 nan 0.000 0.438 343 N N 0.369 119.111 118.700 0.070 0.000 2.205 343 N HA -0.141 4.600 4.740 0.001 0.000 0.186 343 N C 1.857 177.436 175.510 0.114 0.000 1.015 343 N CA 1.360 54.448 53.050 0.064 0.000 0.862 343 N CB -0.564 37.945 38.487 0.037 0.000 0.986 343 N HN 0.423 nan 8.380 nan 0.000 0.429 344 G N -0.223 108.707 108.800 0.216 0.000 2.479 344 G HA2 0.013 3.974 3.960 0.001 0.000 0.220 344 G HA3 0.013 3.974 3.960 0.001 0.000 0.220 344 G C 1.109 176.231 174.900 0.370 0.000 1.115 344 G CA 1.445 46.746 45.100 0.335 0.000 0.757 344 G HN 0.569 nan 8.290 nan 0.000 0.560 345 G N -0.788 108.162 108.800 0.250 0.000 3.211 345 G HA2 -0.198 3.763 3.960 0.001 0.000 0.202 345 G HA3 -0.198 3.763 3.960 0.001 0.000 0.202 345 G C 1.241 176.204 174.900 0.105 0.000 1.035 345 G CA 0.189 45.416 45.100 0.211 0.000 0.846 345 G HN 0.257 nan 8.290 nan 0.000 0.464 346 L N 1.542 122.820 121.223 0.091 0.000 2.275 346 L HA 0.278 4.619 4.340 0.001 0.000 0.215 346 L C 2.334 179.204 176.870 -0.000 0.000 1.119 346 L CA 1.205 56.053 54.840 0.013 0.000 0.790 346 L CB -1.029 41.050 42.059 0.033 0.000 0.919 346 L HN 0.856 nan 8.230 nan 0.000 0.443 347 G N 0.529 109.339 108.800 0.016 0.000 2.611 347 G HA2 -0.431 3.530 3.960 0.001 0.000 0.301 347 G HA3 -0.431 3.530 3.960 0.001 0.000 0.301 347 G C 0.857 175.749 174.900 -0.014 0.000 1.233 347 G CA 0.449 45.544 45.100 -0.009 0.000 0.993 347 G HN 0.080 nan 8.290 nan 0.000 0.553 348 V N 0.721 120.619 119.914 -0.026 0.000 2.527 348 V HA -0.178 3.942 4.120 0.001 0.000 0.255 348 V C 3.054 179.145 176.094 -0.006 0.000 1.081 348 V CA 3.189 65.475 62.300 -0.022 0.000 1.092 348 V CB -0.527 31.280 31.823 -0.026 0.000 0.673 348 V HN 0.951 nan 8.190 nan 0.000 0.470 349 V N -0.249 119.668 119.914 0.005 0.000 2.469 349 V HA -0.243 3.878 4.120 0.001 0.000 0.251 349 V C 2.646 178.772 176.094 0.054 0.000 1.064 349 V CA 2.254 64.572 62.300 0.031 0.000 1.066 349 V CB -0.776 31.074 31.823 0.045 0.000 0.667 349 V HN 0.735 nan 8.190 nan 0.000 0.461 350 S N 0.541 116.271 115.700 0.050 0.000 2.354 350 S HA -0.290 4.180 4.470 0.001 0.000 0.219 350 S C 1.683 176.349 174.600 0.111 0.000 1.035 350 S CA 2.410 60.670 58.200 0.100 0.000 1.037 350 S CB -0.537 62.658 63.200 -0.008 0.000 0.956 350 S HN 0.740 nan 8.310 nan 0.000 0.428 351 D N 1.536 121.931 120.400 -0.008 0.000 2.157 351 D HA -0.150 4.490 4.640 0.001 0.000 0.191 351 D C 2.254 178.575 176.300 0.035 0.000 1.004 351 D CA 1.623 55.612 54.000 -0.018 0.000 0.854 351 D CB -0.430 40.345 40.800 -0.040 0.000 0.936 351 D HN 0.515 nan 8.370 nan 0.000 0.446 352 A N 0.334 123.169 122.820 0.026 0.000 1.908 352 A HA -0.165 4.156 4.320 0.001 0.000 0.218 352 A C 2.235 179.827 177.584 0.013 0.000 1.181 352 A CA 1.135 53.179 52.037 0.012 0.000 0.627 352 A CB -0.717 18.288 19.000 0.009 0.000 0.818 352 A HN 0.236 nan 8.150 nan 0.000 0.445 353 I N -2.230 118.373 120.570 0.056 0.000 2.353 353 I HA -0.166 4.005 4.170 0.001 0.000 0.248 353 I C 2.187 178.268 176.117 -0.059 0.000 1.119 353 I CA 0.963 62.265 61.300 0.003 0.000 1.417 353 I CB -0.287 37.724 38.000 0.019 0.000 1.078 353 I HN 0.267 nan 8.210 nan 0.000 0.421 354 F N 1.454 121.304 119.950 -0.167 0.000 2.098 354 F HA -0.168 4.359 4.527 0.001 0.000 0.294 354 F C 2.133 177.732 175.800 -0.336 0.000 1.107 354 F CA 1.425 59.251 58.000 -0.290 0.000 1.234 354 F CB -0.723 38.117 39.000 -0.265 0.000 1.002 354 F HN 0.022 nan 8.300 nan 0.000 0.472 355 D N 0.047 120.432 120.400 -0.025 0.000 2.203 355 D HA -0.200 4.441 4.640 0.001 0.000 0.199 355 D C 2.090 178.312 176.300 -0.130 0.000 0.997 355 D CA 0.963 54.913 54.000 -0.083 0.000 0.863 355 D CB -0.383 40.387 40.800 -0.049 0.000 0.928 355 D HN 0.121 nan 8.370 nan 0.000 0.458 356 L N 0.344 121.486 121.223 -0.136 0.000 1.993 356 L HA 0.081 4.422 4.340 0.001 0.000 0.206 356 L C 2.288 179.038 176.870 -0.199 0.000 1.074 356 L CA 2.241 56.984 54.840 -0.161 0.000 0.746 356 L CB -1.191 40.784 42.059 -0.140 0.000 0.896 356 L HN 0.103 nan 8.230 nan 0.000 0.435 357 G N -0.098 108.563 108.800 -0.232 0.000 2.681 357 G HA2 -0.422 3.539 3.960 0.001 0.000 0.220 357 G HA3 -0.422 3.539 3.960 0.001 0.000 0.220 357 G C 1.553 176.413 174.900 -0.067 0.000 1.210 357 G CA 1.769 46.761 45.100 -0.180 0.000 0.783 357 G HN 0.476 nan 8.290 nan 0.000 0.609 358 M N 0.225 119.692 119.600 -0.222 0.000 2.110 358 M HA -0.178 4.303 4.480 0.001 0.000 0.257 358 M C 2.831 179.120 176.300 -0.019 0.000 1.071 358 M CA 2.061 57.368 55.300 0.012 0.000 1.096 358 M CB -0.770 31.783 32.600 -0.078 0.000 1.300 358 M HN 0.359 nan 8.290 nan 0.000 0.411 359 S N 0.795 116.417 115.700 -0.130 0.000 2.369 359 S HA -0.174 4.297 4.470 0.001 0.000 0.225 359 S C 1.807 176.164 174.600 -0.405 0.000 1.043 359 S CA 1.618 59.681 58.200 -0.227 0.000 1.074 359 S CB -0.472 62.569 63.200 -0.265 0.000 0.962 359 S HN 0.426 nan 8.310 nan 0.000 0.433 360 L N 1.255 122.221 121.223 -0.428 0.000 2.187 360 L HA -0.087 4.254 4.340 0.001 0.000 0.213 360 L C 2.563 179.319 176.870 -0.190 0.000 1.100 360 L CA 1.092 55.632 54.840 -0.499 0.000 0.765 360 L CB -0.727 41.168 42.059 -0.274 0.000 0.904 360 L HN 0.313 nan 8.230 nan 0.000 0.437 361 S N -0.432 115.242 115.700 -0.044 0.000 2.441 361 S HA -0.199 4.272 4.470 0.001 0.000 0.242 361 S C 2.156 176.821 174.600 0.107 0.000 1.018 361 S CA 1.601 59.842 58.200 0.068 0.000 0.988 361 S CB -0.173 63.093 63.200 0.110 0.000 0.778 361 S HN 0.457 nan 8.310 nan 0.000 0.498 362 S N 0.755 116.512 115.700 0.093 0.000 2.395 362 S HA 0.107 4.578 4.470 0.001 0.000 0.225 362 S C 1.333 176.223 174.600 0.483 0.000 1.027 362 S CA 0.544 58.898 58.200 0.257 0.000 0.965 362 S CB -0.252 63.117 63.200 0.280 0.000 0.812 362 S HN 0.480 nan 8.310 nan 0.000 0.482 363 F N 2.002 122.024 119.950 0.119 0.000 2.325 363 F HA 0.152 4.680 4.527 0.001 0.000 0.299 363 F C 1.014 176.924 175.800 0.183 0.000 1.090 363 F CA -0.235 57.848 58.000 0.139 0.000 1.392 363 F CB -1.332 37.708 39.000 0.067 0.000 1.053 363 F HN 0.146 nan 8.300 nan 0.000 0.521 364 N N 1.155 120.073 118.700 0.364 0.000 2.714 364 N HA -0.220 4.521 4.740 0.001 0.000 0.253 364 N C -0.479 175.239 175.510 0.346 0.000 1.024 364 N CA 0.335 53.567 53.050 0.302 0.000 0.726 364 N CB -1.753 36.908 38.487 0.291 0.000 0.908 364 N HN 0.264 nan 8.380 nan 0.000 0.542 365 L N 0.701 122.116 121.223 0.319 0.000 2.453 365 L HA 0.069 4.410 4.340 0.001 0.000 0.272 365 L C 1.025 178.048 176.870 0.256 0.000 1.182 365 L CA -0.066 54.970 54.840 0.328 0.000 0.858 365 L CB 0.223 42.442 42.059 0.267 0.000 1.120 365 L HN 0.213 nan 8.230 nan 0.000 0.474 366 D N 0.080 120.654 120.400 0.289 0.000 2.268 366 D HA 0.143 4.784 4.640 0.001 0.000 0.249 366 D C 0.475 176.882 176.300 0.178 0.000 1.008 366 D CA -0.719 53.418 54.000 0.229 0.000 0.939 366 D CB 0.871 41.831 40.800 0.268 0.000 1.170 366 D HN 0.398 nan 8.370 nan 0.000 0.468 367 D N 0.829 121.322 120.400 0.155 0.000 2.412 367 D HA -0.302 4.339 4.640 0.001 0.000 0.191 367 D C 1.750 178.110 176.300 0.100 0.000 1.019 367 D CA 2.618 56.728 54.000 0.184 0.000 0.866 367 D CB -0.906 39.976 40.800 0.136 0.000 0.966 367 D HN 0.592 nan 8.370 nan 0.000 0.459 368 T N 1.698 116.267 114.554 0.024 0.000 2.594 368 T HA -0.247 4.104 4.350 0.001 0.000 0.266 368 T C 1.904 176.469 174.700 -0.225 0.000 1.070 368 T CA 2.123 64.117 62.100 -0.176 0.000 1.166 368 T CB -0.502 68.074 68.868 -0.486 0.000 0.862 368 T HN 0.380 nan 8.240 nan 0.000 0.436 369 E N 0.288 120.466 120.200 -0.037 0.000 2.023 369 E HA -0.123 4.227 4.350 0.001 0.000 0.196 369 E C 2.438 178.925 176.600 -0.187 0.000 1.003 369 E CA 1.370 57.777 56.400 0.012 0.000 0.809 369 E CB -0.502 29.456 29.700 0.430 0.000 0.755 369 E HN 0.256 nan 8.360 nan 0.000 0.449 370 V N 1.778 121.621 119.914 -0.118 0.000 2.252 370 V HA -0.357 3.764 4.120 0.001 0.000 0.249 370 V C 2.400 178.206 176.094 -0.480 0.000 1.056 370 V CA 2.037 64.167 62.300 -0.283 0.000 1.022 370 V CB -1.037 30.557 31.823 -0.382 0.000 0.641 370 V HN 0.382 nan 8.190 nan 0.000 0.445 371 A N 0.022 122.544 122.820 -0.496 0.000 1.852 371 A HA -0.263 4.058 4.320 0.001 0.000 0.217 371 A C 2.224 179.647 177.584 -0.269 0.000 1.215 371 A CA 2.504 54.302 52.037 -0.398 0.000 0.641 371 A CB -0.873 18.065 19.000 -0.104 0.000 0.838 371 A HN 0.492 nan 8.150 nan 0.000 0.450 372 L N -1.369 119.643 121.223 -0.353 0.000 2.021 372 L HA -0.244 4.096 4.340 0.001 0.000 0.215 372 L C 2.620 179.241 176.870 -0.415 0.000 1.074 372 L CA 1.515 56.104 54.840 -0.419 0.000 0.760 372 L CB -0.681 40.845 42.059 -0.888 0.000 0.889 372 L HN 0.461 nan 8.230 nan 0.000 0.433 373 L N -0.204 120.712 121.223 -0.512 0.000 2.013 373 L HA -0.276 4.065 4.340 0.001 0.000 0.212 373 L C 2.655 179.453 176.870 -0.119 0.000 1.073 373 L CA 1.822 56.593 54.840 -0.116 0.000 0.753 373 L CB -0.592 41.470 42.059 0.005 0.000 0.890 373 L HN 0.281 nan 8.230 nan 0.000 0.432 374 Q N -1.178 118.503 119.800 -0.198 0.000 2.135 374 Q HA -0.202 4.139 4.340 0.001 0.000 0.204 374 Q C 2.202 178.177 176.000 -0.043 0.000 0.981 374 Q CA 1.578 57.293 55.803 -0.146 0.000 0.856 374 Q CB -0.347 28.206 28.738 -0.309 0.000 0.902 374 Q HN 0.691 nan 8.270 nan 0.000 0.425 375 A N 0.450 123.214 122.820 -0.094 0.000 1.854 375 A HA -0.115 4.206 4.320 0.001 0.000 0.214 375 A C 2.350 179.721 177.584 -0.355 0.000 1.192 375 A CA 1.158 52.980 52.037 -0.359 0.000 0.611 375 A CB -0.783 17.765 19.000 -0.754 0.000 0.832 375 A HN 0.198 nan 8.150 nan 0.000 0.442 376 V N 0.374 120.170 119.914 -0.197 0.000 2.428 376 V HA -0.332 3.789 4.120 0.001 0.000 0.255 376 V C 2.524 178.576 176.094 -0.070 0.000 1.080 376 V CA 2.179 64.446 62.300 -0.056 0.000 1.083 376 V CB -0.899 30.985 31.823 0.102 0.000 0.665 376 V HN 0.544 nan 8.190 nan 0.000 0.461 377 L N -1.404 119.766 121.223 -0.088 0.000 2.007 377 L HA -0.103 4.238 4.340 0.001 0.000 0.205 377 L C 2.431 179.237 176.870 -0.105 0.000 1.073 377 L CA 1.085 55.877 54.840 -0.081 0.000 0.744 377 L CB -0.712 41.299 42.059 -0.081 0.000 0.898 377 L HN 0.320 nan 8.230 nan 0.000 0.435 378 L N 0.141 121.275 121.223 -0.149 0.000 1.991 378 L HA -0.241 4.100 4.340 0.001 0.000 0.221 378 L C 1.854 178.640 176.870 -0.139 0.000 1.079 378 L CA 1.971 56.697 54.840 -0.190 0.000 0.778 378 L CB -0.566 41.298 42.059 -0.326 0.000 0.893 378 L HN 0.206 nan 8.230 nan 0.000 0.437 379 M N 0.889 120.396 119.600 -0.155 0.000 3.722 379 M HA 0.074 4.555 4.480 0.001 0.000 0.183 379 M C 0.312 176.610 176.300 -0.004 0.000 1.485 379 M CA 0.345 55.614 55.300 -0.052 0.000 1.685 379 M CB -1.924 30.641 32.600 -0.058 0.000 1.198 379 M HN 0.171 nan 8.290 nan 0.000 0.494 380 S N 0.727 116.418 115.700 -0.014 0.000 2.439 380 S HA 0.150 4.621 4.470 0.001 0.000 0.282 380 S C 1.352 175.960 174.600 0.013 0.000 1.170 380 S CA -0.427 57.771 58.200 -0.003 0.000 1.054 380 S CB 0.819 64.007 63.200 -0.020 0.000 0.956 380 S HN 0.656 nan 8.310 nan 0.000 0.490 381 S N 1.839 117.552 115.700 0.022 0.000 2.515 381 S HA -0.110 4.360 4.470 0.001 0.000 0.231 381 S C 1.199 175.805 174.600 0.010 0.000 0.987 381 S CA 0.622 58.835 58.200 0.021 0.000 0.936 381 S CB -0.187 63.027 63.200 0.022 0.000 0.766 381 S HN 0.815 nan 8.310 nan 0.000 0.528 382 D N 0.822 121.226 120.400 0.005 0.000 2.347 382 D HA -0.043 4.598 4.640 0.001 0.000 0.213 382 D C 0.397 176.695 176.300 -0.004 0.000 0.985 382 D CA -0.107 53.894 54.000 0.001 0.000 0.879 382 D CB -0.353 40.447 40.800 -0.000 0.000 0.919 382 D HN 0.162 nan 8.370 nan 0.000 0.526 383 R N 1.833 122.329 120.500 -0.007 0.000 2.678 383 R HA 0.139 4.480 4.340 0.001 0.000 0.264 383 R C -2.204 174.091 176.300 -0.009 0.000 0.995 383 R CA -0.925 55.167 56.100 -0.013 0.000 1.098 383 R CB -0.875 29.414 30.300 -0.017 0.000 0.949 383 R HN 0.179 nan 8.270 nan 0.000 0.422 384 P HA 0.219 nan 4.420 nan 0.000 0.281 384 P C 0.572 177.868 177.300 -0.008 0.000 1.249 384 P CA 0.012 63.108 63.100 -0.007 0.000 0.810 384 P CB 0.949 32.646 31.700 -0.005 0.000 1.008 385 G N 0.446 109.243 108.800 -0.006 0.000 2.225 385 G HA2 -0.246 3.715 3.960 0.001 0.000 0.254 385 G HA3 -0.246 3.715 3.960 0.001 0.000 0.254 385 G C 0.099 174.995 174.900 -0.006 0.000 0.988 385 G CA -0.280 44.817 45.100 -0.006 0.000 0.625 385 G HN 0.463 nan 8.290 nan 0.000 0.527 386 L N 0.306 121.527 121.223 -0.004 0.000 2.516 386 L HA 0.323 4.664 4.340 0.001 0.000 0.288 386 L C 1.793 178.660 176.870 -0.004 0.000 1.246 386 L CA 0.732 55.572 54.840 -0.001 0.000 0.844 386 L CB 0.540 42.601 42.059 0.004 0.000 1.106 386 L HN 0.385 nan 8.230 nan 0.000 0.509 387 A N 1.352 124.169 122.820 -0.005 0.000 2.182 387 A HA 0.054 4.375 4.320 0.001 0.000 0.222 387 A C 0.985 178.562 177.584 -0.012 0.000 1.904 387 A CA 0.072 52.103 52.037 -0.010 0.000 0.808 387 A CB -0.431 18.561 19.000 -0.013 0.000 1.404 387 A HN 0.762 nan 8.150 nan 0.000 0.587 388 C N 2.093 121.385 119.300 -0.012 0.000 3.585 388 C HA 0.349 4.809 4.460 0.001 0.000 0.575 388 C C 1.929 176.906 174.990 -0.022 0.000 1.068 388 C CA -0.628 58.378 59.018 -0.020 0.000 1.113 388 C CB -2.570 25.158 27.740 -0.019 0.000 1.381 388 C HN 0.355 nan 8.230 nan 0.000 0.635 389 V N 2.337 122.240 119.914 -0.018 0.000 2.232 389 V HA -0.244 3.877 4.120 0.001 0.000 0.241 389 V C 2.793 178.866 176.094 -0.035 0.000 1.036 389 V CA 2.710 65.001 62.300 -0.015 0.000 0.993 389 V CB -1.433 30.383 31.823 -0.011 0.000 0.639 389 V HN 0.728 nan 8.190 nan 0.000 0.459 390 E N 0.052 120.228 120.200 -0.040 0.000 2.217 390 E HA -0.437 3.914 4.350 0.001 0.000 0.219 390 E C 2.236 178.771 176.600 -0.108 0.000 1.070 390 E CA 2.903 59.269 56.400 -0.057 0.000 0.889 390 E CB -0.960 28.710 29.700 -0.051 0.000 0.768 390 E HN 0.582 nan 8.360 nan 0.000 0.465 391 R N -0.226 120.183 120.500 -0.152 0.000 2.080 391 R HA -0.072 4.269 4.340 0.001 0.000 0.236 391 R C 2.695 178.712 176.300 -0.473 0.000 1.137 391 R CA 1.841 57.753 56.100 -0.315 0.000 0.943 391 R CB -0.482 29.650 30.300 -0.279 0.000 0.846 391 R HN 0.565 nan 8.270 nan 0.000 0.431 392 I N 0.618 121.057 120.570 -0.218 0.000 2.099 392 I HA -0.307 3.863 4.170 0.001 0.000 0.239 392 I C 2.478 178.622 176.117 0.045 0.000 1.066 392 I CA 1.688 62.989 61.300 0.001 0.000 1.324 392 I CB -0.587 37.471 38.000 0.096 0.000 1.037 392 I HN 0.395 nan 8.210 nan 0.000 0.401 393 E N 0.949 121.157 120.200 0.013 0.000 2.113 393 E HA -0.304 4.047 4.350 0.001 0.000 0.210 393 E C 2.140 178.777 176.600 0.062 0.000 1.040 393 E CA 1.721 58.144 56.400 0.038 0.000 0.847 393 E CB 0.078 29.785 29.700 0.013 0.000 0.755 393 E HN 0.268 nan 8.360 nan 0.000 0.459 394 K N -0.218 120.185 120.400 0.004 0.000 2.147 394 K HA -0.149 4.171 4.320 0.001 0.000 0.205 394 K C 2.027 178.724 176.600 0.161 0.000 1.049 394 K CA 0.990 57.297 56.287 0.032 0.000 0.936 394 K CB -0.534 31.939 32.500 -0.045 0.000 0.722 394 K HN 0.281 nan 8.250 nan 0.000 0.446 395 Y N 1.846 122.221 120.300 0.124 0.000 2.097 395 Y HA -0.231 4.319 4.550 0.001 0.000 0.282 395 Y C 2.779 178.880 175.900 0.336 0.000 1.152 395 Y CA 1.301 59.535 58.100 0.222 0.000 1.136 395 Y CB -0.944 37.638 38.460 0.203 0.000 0.975 395 Y HN 0.272 nan 8.280 nan 0.000 0.498 396 Q N 0.212 120.241 119.800 0.381 0.000 2.061 396 Q HA -0.209 4.132 4.340 0.001 0.000 0.204 396 Q C 1.724 177.898 176.000 0.289 0.000 0.984 396 Q CA 2.091 58.058 55.803 0.273 0.000 0.846 396 Q CB -0.157 28.670 28.738 0.149 0.000 0.902 396 Q HN 0.422 nan 8.270 nan 0.000 0.421 397 D N -0.209 120.316 120.400 0.209 0.000 2.158 397 D HA -0.156 4.485 4.640 0.001 0.000 0.197 397 D C 1.929 178.319 176.300 0.149 0.000 0.995 397 D CA 1.376 55.467 54.000 0.153 0.000 0.846 397 D CB -0.239 40.618 40.800 0.096 0.000 0.941 397 D HN 0.215 nan 8.370 nan 0.000 0.456 398 S N -0.709 115.101 115.700 0.184 0.000 2.382 398 S HA -0.128 4.343 4.470 0.001 0.000 0.228 398 S C 1.779 176.388 174.600 0.015 0.000 1.027 398 S CA 0.796 59.047 58.200 0.085 0.000 0.991 398 S CB -0.155 63.106 63.200 0.101 0.000 0.823 398 S HN 0.101 nan 8.310 nan 0.000 0.469 399 F N 1.375 121.370 119.950 0.076 0.000 2.147 399 F HA 0.218 4.746 4.527 0.001 0.000 0.291 399 F C 2.113 177.998 175.800 0.142 0.000 1.093 399 F CA 0.574 58.620 58.000 0.076 0.000 1.263 399 F CB -0.709 38.333 39.000 0.071 0.000 1.036 399 F HN 0.109 nan 8.300 nan 0.000 0.481 400 L N -0.326 121.136 121.223 0.399 0.000 2.010 400 L HA -0.303 4.038 4.340 0.001 0.000 0.219 400 L C 2.492 179.447 176.870 0.141 0.000 1.077 400 L CA 1.261 56.351 54.840 0.417 0.000 0.773 400 L CB -0.928 41.345 42.059 0.357 0.000 0.892 400 L HN 0.212 nan 8.230 nan 0.000 0.436 401 L N 0.082 121.277 121.223 -0.048 0.000 1.956 401 L HA -0.251 4.090 4.340 0.001 0.000 0.216 401 L C 2.705 179.271 176.870 -0.507 0.000 1.073 401 L CA 2.313 56.930 54.840 -0.371 0.000 0.762 401 L CB -0.886 40.979 42.059 -0.323 0.000 0.889 401 L HN 0.216 nan 8.230 nan 0.000 0.433 402 A N -0.812 121.851 122.820 -0.262 0.000 1.915 402 A HA -0.326 3.994 4.320 0.001 0.000 0.220 402 A C 2.314 179.932 177.584 0.057 0.000 1.198 402 A CA 2.291 54.243 52.037 -0.142 0.000 0.647 402 A CB -1.348 17.581 19.000 -0.120 0.000 0.825 402 A HN 0.608 nan 8.150 nan 0.000 0.456 403 F N 0.784 120.732 119.950 -0.003 0.000 2.043 403 F HA -0.188 4.339 4.527 0.001 0.000 0.297 403 F C 2.201 178.063 175.800 0.104 0.000 1.121 403 F CA 2.060 60.169 58.000 0.181 0.000 1.199 403 F CB -1.118 38.119 39.000 0.396 0.000 0.968 403 F HN 0.536 nan 8.300 nan 0.000 0.478 404 E N -0.690 119.351 120.200 -0.264 0.000 2.033 404 E HA -0.285 4.066 4.350 0.001 0.000 0.199 404 E C 2.284 178.781 176.600 -0.171 0.000 1.011 404 E CA 1.904 57.856 56.400 -0.747 0.000 0.815 404 E CB -0.474 28.407 29.700 -1.364 0.000 0.755 404 E HN 0.644 nan 8.360 nan 0.000 0.451 405 H N -1.529 117.439 119.070 -0.169 0.000 2.265 405 H HA -0.229 4.328 4.556 0.001 0.000 0.293 405 H C 2.186 177.502 175.328 -0.019 0.000 1.089 405 H CA 1.487 57.476 56.048 -0.098 0.000 1.244 405 H CB -0.393 29.307 29.762 -0.103 0.000 1.355 405 H HN 0.303 nan 8.280 nan 0.000 0.485 406 Y N 1.398 121.738 120.300 0.066 0.000 2.228 406 Y HA -0.273 4.278 4.550 0.001 0.000 0.285 406 Y C 2.271 178.271 175.900 0.166 0.000 1.178 406 Y CA 1.042 59.171 58.100 0.049 0.000 1.202 406 Y CB -0.333 38.163 38.460 0.061 0.000 0.974 406 Y HN 0.184 nan 8.280 nan 0.000 0.527 407 I N 0.581 121.247 120.570 0.159 0.000 2.179 407 I HA -0.319 3.851 4.170 0.001 0.000 0.242 407 I C 1.937 177.998 176.117 -0.094 0.000 1.088 407 I CA 1.380 62.724 61.300 0.074 0.000 1.357 407 I CB -1.326 36.782 38.000 0.180 0.000 1.051 407 I HN 0.376 nan 8.210 nan 0.000 0.409 408 N N 0.443 119.112 118.700 -0.052 0.000 2.104 408 N HA -0.264 4.476 4.740 0.001 0.000 0.190 408 N C 1.972 177.434 175.510 -0.081 0.000 1.024 408 N CA 1.354 54.363 53.050 -0.068 0.000 0.853 408 N CB -0.777 37.691 38.487 -0.031 0.000 1.008 408 N HN 0.377 nan 8.380 nan 0.000 0.424 409 Y N 2.555 122.757 120.300 -0.164 0.000 2.165 409 Y HA -0.110 4.441 4.550 0.001 0.000 0.286 409 Y C 2.241 178.000 175.900 -0.235 0.000 1.155 409 Y CA 1.437 59.451 58.100 -0.144 0.000 1.164 409 Y CB -0.180 38.237 38.460 -0.071 0.000 0.978 409 Y HN -0.091 nan 8.280 nan 0.000 0.513 410 R N 1.628 121.747 120.500 -0.635 0.000 2.081 410 R HA -0.151 4.190 4.340 0.001 0.000 0.235 410 R C 0.424 176.333 176.300 -0.652 0.000 1.131 410 R CA 1.386 57.021 56.100 -0.774 0.000 0.960 410 R CB -0.873 28.983 30.300 -0.741 0.000 0.856 410 R HN 0.589 nan 8.270 nan 0.000 0.436 411 K N 1.446 121.569 120.400 -0.462 0.000 4.838 411 K HA -0.192 4.129 4.320 0.001 0.000 0.300 411 K C -0.870 175.510 176.600 -0.367 0.000 0.861 411 K CA 0.753 56.839 56.287 -0.336 0.000 0.929 411 K CB -1.843 30.521 32.500 -0.228 0.000 1.772 411 K HN 0.303 nan 8.250 nan 0.000 0.422 412 H N 1.315 120.128 119.070 -0.428 0.000 2.679 412 H HA 0.012 4.568 4.556 0.001 0.000 0.369 412 H C 0.221 175.431 175.328 -0.198 0.000 1.178 412 H CA 0.175 56.005 56.048 -0.363 0.000 1.419 412 H CB 0.722 30.053 29.762 -0.718 0.000 1.458 412 H HN 0.526 nan 8.280 nan 0.000 0.605 413 H N 1.491 120.565 119.070 0.007 0.000 2.680 413 H HA 0.337 4.894 4.556 0.001 0.000 0.224 413 H C -1.341 174.044 175.328 0.094 0.000 1.866 413 H CA -0.245 55.821 56.048 0.029 0.000 1.302 413 H CB -0.883 28.900 29.762 0.035 0.000 1.709 413 H HN 0.132 nan 8.280 nan 0.000 0.537 414 V N 3.401 123.287 119.914 -0.047 0.000 2.555 414 V HA 0.082 4.203 4.120 0.001 0.000 0.283 414 V C 0.438 176.600 176.094 0.113 0.000 1.020 414 V CA -0.769 61.578 62.300 0.079 0.000 0.883 414 V CB 1.263 33.271 31.823 0.308 0.000 1.030 414 V HN 0.758 nan 8.190 nan 0.000 0.448 415 T N 3.507 118.061 114.554 0.001 0.000 2.882 415 T HA -0.134 4.217 4.350 0.001 0.000 0.330 415 T C 0.615 175.415 174.700 0.165 0.000 1.075 415 T CA 1.033 63.165 62.100 0.055 0.000 1.129 415 T CB -0.224 68.661 68.868 0.028 0.000 1.071 415 T HN 0.933 nan 8.240 nan 0.000 0.531 416 H N 2.638 121.729 119.070 0.035 0.000 2.262 416 H HA -0.182 4.374 4.556 0.001 0.000 0.303 416 H C 0.080 175.434 175.328 0.044 0.000 0.860 416 H CA 0.621 56.692 56.048 0.038 0.000 1.000 416 H CB -0.759 29.006 29.762 0.006 0.000 1.584 416 H HN 0.666 nan 8.280 nan 0.000 0.304 417 F N 2.898 122.804 119.950 -0.074 0.000 2.281 417 F HA -0.065 4.463 4.527 0.001 0.000 0.257 417 F C 2.238 177.965 175.800 -0.121 0.000 1.220 417 F CA 1.110 59.028 58.000 -0.137 0.000 1.038 417 F CB -0.705 38.214 39.000 -0.134 0.000 1.015 417 F HN 0.563 nan 8.300 nan 0.000 0.560 418 W N 3.680 125.001 121.300 0.034 0.000 2.213 418 W HA -0.338 4.322 4.660 0.001 0.000 0.350 418 W C -1.065 175.291 176.519 -0.271 0.000 1.467 418 W CA 2.915 60.165 57.345 -0.158 0.000 1.481 418 W CB -2.321 27.098 29.460 -0.068 0.000 1.055 418 W HN 0.185 nan 8.180 nan 0.000 0.473 419 P HA -0.249 nan 4.420 nan 0.000 0.218 419 P C 1.396 178.513 177.300 -0.306 0.000 1.154 419 P CA 2.877 65.848 63.100 -0.215 0.000 0.872 419 P CB -0.456 31.183 31.700 -0.102 0.000 0.790 420 K N -0.827 119.380 120.400 -0.322 0.000 2.002 420 K HA -0.128 4.192 4.320 0.001 0.000 0.209 420 K C 2.308 178.697 176.600 -0.353 0.000 1.048 420 K CA 0.953 57.061 56.287 -0.299 0.000 0.930 420 K CB -0.898 31.376 32.500 -0.376 0.000 0.714 420 K HN 0.034 nan 8.250 nan 0.000 0.438 421 L N 1.789 122.641 121.223 -0.619 0.000 2.081 421 L HA -0.178 4.163 4.340 0.001 0.000 0.212 421 L C 1.992 178.562 176.870 -0.500 0.000 1.080 421 L CA 1.488 56.023 54.840 -0.508 0.000 0.754 421 L CB -0.351 41.306 42.059 -0.669 0.000 0.893 421 L HN 0.181 nan 8.230 nan 0.000 0.433 422 L N -1.616 119.170 121.223 -0.728 0.000 2.083 422 L HA -0.258 4.083 4.340 0.001 0.000 0.209 422 L C 2.528 179.207 176.870 -0.318 0.000 1.083 422 L CA 1.512 55.981 54.840 -0.619 0.000 0.752 422 L CB -0.402 41.257 42.059 -0.666 0.000 0.899 422 L HN 0.358 nan 8.230 nan 0.000 0.433 423 M N -0.851 118.598 119.600 -0.252 0.000 2.159 423 M HA -0.195 4.286 4.480 0.001 0.000 0.263 423 M C 2.139 178.367 176.300 -0.121 0.000 1.063 423 M CA 1.407 56.618 55.300 -0.148 0.000 1.110 423 M CB -0.494 32.041 32.600 -0.109 0.000 1.374 423 M HN 0.102 nan 8.290 nan 0.000 0.411 424 K N 0.484 120.810 120.400 -0.123 0.000 2.103 424 K HA -0.070 4.251 4.320 0.001 0.000 0.207 424 K C 2.042 178.589 176.600 -0.089 0.000 1.048 424 K CA 1.094 57.326 56.287 -0.092 0.000 0.930 424 K CB -0.955 31.509 32.500 -0.060 0.000 0.716 424 K HN 0.257 nan 8.250 nan 0.000 0.444 425 V N 1.375 121.224 119.914 -0.108 0.000 2.287 425 V HA -0.268 3.853 4.120 0.001 0.000 0.248 425 V C 2.318 178.369 176.094 -0.071 0.000 1.053 425 V CA 2.241 64.491 62.300 -0.083 0.000 1.027 425 V CB -0.789 30.976 31.823 -0.097 0.000 0.646 425 V HN 0.364 nan 8.190 nan 0.000 0.447 426 T N -0.568 113.939 114.554 -0.078 0.000 2.708 426 T HA -0.204 4.146 4.350 0.001 0.000 0.266 426 T C 1.705 176.374 174.700 -0.050 0.000 1.037 426 T CA 1.685 63.750 62.100 -0.058 0.000 1.146 426 T CB -0.445 68.388 68.868 -0.059 0.000 0.865 426 T HN 0.511 nan 8.240 nan 0.000 0.435 427 D N 1.098 121.462 120.400 -0.059 0.000 2.149 427 D HA -0.085 4.556 4.640 0.001 0.000 0.194 427 D C 2.095 178.367 176.300 -0.046 0.000 1.001 427 D CA 0.980 54.949 54.000 -0.053 0.000 0.849 427 D CB -0.291 40.468 40.800 -0.068 0.000 0.939 427 D HN 0.340 nan 8.370 nan 0.000 0.449 428 L N 0.293 121.484 121.223 -0.053 0.000 2.156 428 L HA -0.082 4.259 4.340 0.001 0.000 0.208 428 L C 2.632 179.482 176.870 -0.034 0.000 1.095 428 L CA 0.788 55.599 54.840 -0.048 0.000 0.770 428 L CB -0.140 41.883 42.059 -0.060 0.000 0.914 428 L HN -0.069 nan 8.230 nan 0.000 0.439 429 R N -0.898 119.582 120.500 -0.034 0.000 2.090 429 R HA -0.079 4.262 4.340 0.001 0.000 0.228 429 R C 2.313 178.608 176.300 -0.008 0.000 1.110 429 R CA 0.975 57.061 56.100 -0.025 0.000 0.973 429 R CB -0.169 30.115 30.300 -0.027 0.000 0.869 429 R HN 0.257 nan 8.270 nan 0.000 0.440 430 M N 0.560 120.155 119.600 -0.009 0.000 2.086 430 M HA -0.147 4.334 4.480 0.001 0.000 0.261 430 M C 2.359 178.672 176.300 0.021 0.000 1.067 430 M CA 1.608 56.909 55.300 0.003 0.000 1.116 430 M CB -0.655 31.942 32.600 -0.006 0.000 1.348 430 M HN 0.139 nan 8.290 nan 0.000 0.407 431 I N -0.307 120.274 120.570 0.018 0.000 2.151 431 I HA -0.261 3.910 4.170 0.001 0.000 0.243 431 I C 2.532 178.703 176.117 0.090 0.000 1.080 431 I CA 1.640 62.967 61.300 0.045 0.000 1.339 431 I CB -1.090 36.925 38.000 0.025 0.000 1.039 431 I HN 0.348 nan 8.210 nan 0.000 0.409 432 G N 0.255 109.090 108.800 0.059 0.000 2.402 432 G HA2 -0.188 3.773 3.960 0.001 0.000 0.216 432 G HA3 -0.188 3.773 3.960 0.001 0.000 0.216 432 G C 1.880 176.845 174.900 0.107 0.000 1.162 432 G CA 0.776 45.921 45.100 0.075 0.000 0.777 432 G HN 0.498 nan 8.290 nan 0.000 0.539 433 A N -0.044 122.814 122.820 0.065 0.000 1.908 433 A HA -0.116 4.205 4.320 0.001 0.000 0.218 433 A C 2.578 180.221 177.584 0.099 0.000 1.181 433 A CA 1.873 53.949 52.037 0.065 0.000 0.627 433 A CB -1.038 17.983 19.000 0.036 0.000 0.818 433 A HN 0.420 nan 8.150 nan 0.000 0.445 434 C N -1.845 117.513 119.300 0.096 0.000 2.466 434 C HA -0.060 4.401 4.460 0.001 0.000 0.278 434 C C 2.618 177.692 174.990 0.141 0.000 1.288 434 C CA 0.968 60.041 59.018 0.091 0.000 1.722 434 C CB -1.369 26.405 27.740 0.055 0.000 2.017 434 C HN 0.769 nan 8.230 nan 0.000 0.488 435 H N 1.534 120.661 119.070 0.095 0.000 2.394 435 H HA -0.178 4.378 4.556 0.001 0.000 0.297 435 H C 2.176 177.620 175.328 0.193 0.000 1.113 435 H CA 2.195 58.325 56.048 0.136 0.000 1.277 435 H CB -0.317 29.544 29.762 0.165 0.000 1.370 435 H HN 0.430 nan 8.280 nan 0.000 0.506 436 A N 0.034 123.106 122.820 0.419 0.000 1.865 436 A HA -0.201 4.120 4.320 0.001 0.000 0.217 436 A C 2.886 180.655 177.584 0.308 0.000 1.191 436 A CA 2.152 54.423 52.037 0.390 0.000 0.623 436 A CB -1.238 17.908 19.000 0.242 0.000 0.826 436 A HN 0.535 nan 8.150 nan 0.000 0.444 437 S N -0.663 115.152 115.700 0.191 0.000 2.359 437 S HA -0.256 4.215 4.470 0.001 0.000 0.222 437 S C 2.227 176.904 174.600 0.128 0.000 1.038 437 S CA 1.640 59.924 58.200 0.139 0.000 1.051 437 S CB -0.420 62.818 63.200 0.063 0.000 0.944 437 S HN 0.520 nan 8.310 nan 0.000 0.433 438 R N -0.028 120.500 120.500 0.046 0.000 2.170 438 R HA -0.085 4.255 4.340 0.001 0.000 0.242 438 R C 1.928 178.291 176.300 0.106 0.000 1.145 438 R CA 1.199 57.293 56.100 -0.010 0.000 0.984 438 R CB -1.472 28.762 30.300 -0.109 0.000 0.869 438 R HN 0.593 nan 8.270 nan 0.000 0.455 439 F N 1.461 121.414 119.950 0.006 0.000 2.095 439 F HA -0.163 4.365 4.527 0.001 0.000 0.298 439 F C 2.154 178.060 175.800 0.177 0.000 1.104 439 F CA 1.260 59.314 58.000 0.089 0.000 1.232 439 F CB -0.453 38.628 39.000 0.136 0.000 0.987 439 F HN -0.112 nan 8.300 nan 0.000 0.475 440 L N -0.774 120.554 121.223 0.174 0.000 2.012 440 L HA -0.305 4.035 4.340 0.001 0.000 0.210 440 L C 2.553 179.443 176.870 0.034 0.000 1.073 440 L CA 1.812 56.692 54.840 0.066 0.000 0.748 440 L CB -1.168 40.984 42.059 0.154 0.000 0.891 440 L HN 0.163 nan 8.230 nan 0.000 0.431 441 H N -0.719 118.330 119.070 -0.036 0.000 2.319 441 H HA -0.152 4.405 4.556 0.001 0.000 0.299 441 H C 2.339 177.617 175.328 -0.084 0.000 1.092 441 H CA 1.570 57.587 56.048 -0.052 0.000 1.302 441 H CB -0.243 29.500 29.762 -0.031 0.000 1.373 441 H HN 0.203 nan 8.280 nan 0.000 0.497 442 M N -0.025 119.612 119.600 0.060 0.000 2.195 442 M HA -0.220 4.261 4.480 0.001 0.000 0.260 442 M C 2.044 178.380 176.300 0.059 0.000 1.066 442 M CA 1.548 56.839 55.300 -0.015 0.000 1.089 442 M CB -0.185 32.475 32.600 0.100 0.000 1.377 442 M HN 0.148 nan 8.290 nan 0.000 0.411 443 K N 0.101 120.456 120.400 -0.076 0.000 2.487 443 K HA -0.001 4.320 4.320 0.001 0.000 0.192 443 K C 1.122 177.575 176.600 -0.246 0.000 1.027 443 K CA 0.355 56.467 56.287 -0.292 0.000 1.054 443 K CB 0.424 32.667 32.500 -0.428 0.000 0.824 443 K HN 0.177 nan 8.250 nan 0.000 0.510 444 V N 0.229 120.043 119.914 -0.168 0.000 3.013 444 V HA 0.014 4.135 4.120 0.001 0.000 0.238 444 V C 1.075 177.087 176.094 -0.135 0.000 1.161 444 V CA 0.696 62.900 62.300 -0.162 0.000 1.170 444 V CB 0.456 32.166 31.823 -0.189 0.000 0.917 444 V HN 0.221 nan 8.190 nan 0.000 0.478 445 E N -0.761 119.364 120.200 -0.124 0.000 2.479 445 E HA 0.122 4.473 4.350 0.001 0.000 0.193 445 E C -0.054 176.457 176.600 -0.148 0.000 1.049 445 E CA 0.006 56.338 56.400 -0.114 0.000 0.870 445 E CB 0.283 29.930 29.700 -0.087 0.000 0.944 445 E HN 0.496 nan 8.360 nan 0.000 0.492 446 C N 0.656 119.863 119.300 -0.155 0.000 2.802 446 C HA 0.412 4.873 4.460 0.001 0.000 0.307 446 C C -2.502 172.489 174.990 0.001 0.000 1.222 446 C CA -1.973 56.962 59.018 -0.138 0.000 1.580 446 C CB 1.559 29.040 27.740 -0.431 0.000 2.119 446 C HN 0.077 nan 8.230 nan 0.000 0.479 447 P HA 0.135 nan 4.420 nan 0.000 0.271 447 P C 0.831 178.201 177.300 0.117 0.000 1.220 447 P CA 0.247 63.397 63.100 0.082 0.000 0.768 447 P CB 0.511 32.278 31.700 0.113 0.000 0.848 448 T N -1.077 113.437 114.554 -0.066 0.000 3.163 448 T HA -0.119 4.231 4.350 0.001 0.000 0.260 448 T C 1.068 175.824 174.700 0.094 0.000 1.156 448 T CA 0.571 62.577 62.100 -0.157 0.000 1.072 448 T CB -0.617 68.137 68.868 -0.190 0.000 0.937 448 T HN 0.544 nan 8.240 nan 0.000 0.528 449 E N 0.512 120.799 120.200 0.146 0.000 2.479 449 E HA 0.128 4.479 4.350 0.001 0.000 0.193 449 E C 1.313 178.044 176.600 0.220 0.000 1.049 449 E CA 0.006 56.497 56.400 0.151 0.000 0.870 449 E CB -0.050 29.708 29.700 0.096 0.000 0.944 449 E HN 0.593 nan 8.360 nan 0.000 0.492 450 L N 0.099 121.552 121.223 0.384 0.000 2.966 450 L HA 0.289 4.629 4.340 0.001 0.000 0.262 450 L C -0.304 176.790 176.870 0.374 0.000 1.165 450 L CA -0.423 54.633 54.840 0.360 0.000 0.978 450 L CB 0.478 42.800 42.059 0.438 0.000 1.337 450 L HN 0.028 nan 8.230 nan 0.000 0.563 451 F N 2.163 122.254 119.950 0.236 0.000 2.406 451 F HA 0.348 4.875 4.527 0.001 0.000 0.358 451 F C -1.850 174.113 175.800 0.272 0.000 1.161 451 F CA -3.086 55.114 58.000 0.333 0.000 1.185 451 F CB -0.395 38.859 39.000 0.423 0.000 1.421 451 F HN -0.211 nan 8.300 nan 0.000 0.576 452 P HA -0.025 nan 4.420 nan 0.000 0.267 452 P C -1.919 175.582 177.300 0.334 0.000 1.201 452 P CA -0.627 62.613 63.100 0.232 0.000 0.775 452 P CB 0.411 32.180 31.700 0.114 0.000 0.854 453 P HA -0.194 nan 4.420 nan 0.000 0.210 453 P C 1.478 178.924 177.300 0.244 0.000 1.185 453 P CA 0.811 64.047 63.100 0.226 0.000 0.924 453 P CB -0.293 31.497 31.700 0.150 0.000 0.786 454 L N -1.331 120.013 121.223 0.202 0.000 2.064 454 L HA -0.228 4.112 4.340 0.001 0.000 0.216 454 L C 2.208 179.245 176.870 0.279 0.000 1.077 454 L CA 1.836 56.789 54.840 0.188 0.000 0.766 454 L CB -1.657 40.493 42.059 0.152 0.000 0.890 454 L HN -0.119 nan 8.230 nan 0.000 0.435 455 F N -0.264 119.797 119.950 0.185 0.000 2.025 455 F HA -0.288 4.240 4.527 0.001 0.000 0.297 455 F C 2.264 178.282 175.800 0.365 0.000 1.132 455 F CA 2.234 60.384 58.000 0.250 0.000 1.191 455 F CB -0.824 38.281 39.000 0.174 0.000 0.963 455 F HN 0.078 nan 8.300 nan 0.000 0.481 456 L N -0.037 121.418 121.223 0.386 0.000 2.012 456 L HA -0.255 4.086 4.340 0.001 0.000 0.210 456 L C 2.545 179.525 176.870 0.182 0.000 1.073 456 L CA 1.944 56.992 54.840 0.346 0.000 0.748 456 L CB -0.845 41.450 42.059 0.393 0.000 0.891 456 L HN 0.262 nan 8.230 nan 0.000 0.431 457 E N -0.350 119.945 120.200 0.159 0.000 2.130 457 E HA -0.230 4.121 4.350 0.001 0.000 0.196 457 E C 2.098 178.703 176.600 0.008 0.000 0.998 457 E CA 1.695 58.146 56.400 0.085 0.000 0.806 457 E CB 0.138 29.888 29.700 0.084 0.000 0.738 457 E HN 0.305 nan 8.360 nan 0.000 0.459 458 V N -0.209 119.694 119.914 -0.018 0.000 2.273 458 V HA -0.180 3.941 4.120 0.001 0.000 0.242 458 V C 1.861 177.693 176.094 -0.436 0.000 1.035 458 V CA 1.587 63.753 62.300 -0.224 0.000 1.013 458 V CB -0.532 31.111 31.823 -0.301 0.000 0.652 458 V HN 0.225 nan 8.190 nan 0.000 0.452 459 F N -0.576 119.071 119.950 -0.506 0.000 2.293 459 F HA 0.123 4.651 4.527 0.001 0.000 0.297 459 F C 1.431 176.987 175.800 -0.407 0.000 1.089 459 F CA 0.157 57.723 58.000 -0.723 0.000 1.377 459 F CB -0.259 37.720 39.000 -1.702 0.000 1.051 459 F HN 0.038 nan 8.300 nan 0.000 0.511 460 E N 1.963 122.167 120.200 0.007 0.000 2.442 460 E HA -0.045 4.306 4.350 0.001 0.000 0.262 460 E C -0.289 176.360 176.600 0.082 0.000 1.004 460 E CA 0.025 56.550 56.400 0.209 0.000 0.928 460 E CB 0.428 30.266 29.700 0.230 0.000 0.937 460 E HN 0.191 nan 8.360 nan 0.000 0.446 461 D N 0.000 120.461 120.400 0.102 0.000 6.856 461 D HA 0.000 4.641 4.640 0.001 0.000 0.175 461 D CA 0.000 54.032 54.000 0.054 0.000 0.868 461 D CB 0.000 40.839 40.800 0.065 0.000 0.688 461 D HN 0.000 nan 8.370 nan 0.000 0.683