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 3e0s_1_A DATA FIRST_RESID 213 DATA SEQUENCE LQLDAHASIH ENVRRLLQFT TSIMEANEEG IRKDIDSEFL HDFRVAIRRS DATA SEQUENCE RSILRLLNGV FDPEKTAWML AGLRELGKRT NDLRDSDVYL LRREEYTSLL DATA SEQUENCE PPSLRPALDP FFSDLEADKR LHHRQFCRYL TGREYSGFMT SLKEFIAEGE DATA SEQUENCE LPDPETAPLA AEPTGDVAAK TIRKALKKVL VHGRXXXXXX SDAELHELRI DATA SEQUENCE DCKKLRYLLE FFASLFPPKA TAQVLRQMKT LQDNLGTFVD LTVQMEFLQS DATA SEQUENCE RLETXXXXXX XISEAAAIGG LLTTLYRKRE KVREHFHEIF SGFDSNETGE DATA SEQUENCE LFDELLTGL 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 213 L HA 0.000 nan 4.340 nan 0.000 0.249 213 L C 0.000 176.710 176.870 -0.266 0.000 1.165 213 L CA 0.000 54.487 54.840 -0.588 0.000 0.813 213 L CB 0.000 41.507 42.059 -0.920 0.000 0.961 214 Q N 4.872 124.568 119.800 -0.173 0.000 2.363 214 Q HA 0.737 5.077 4.340 -0.000 0.000 0.265 214 Q C -1.524 174.424 176.000 -0.087 0.000 1.032 214 Q CA -0.338 55.400 55.803 -0.108 0.000 0.746 214 Q CB 1.529 30.230 28.738 -0.062 0.000 1.237 214 Q HN 0.740 nan 8.270 nan 0.000 0.475 215 L N 1.242 122.400 121.223 -0.109 0.000 2.360 215 L HA 0.540 4.880 4.340 -0.000 0.000 0.271 215 L C -0.184 176.637 176.870 -0.081 0.000 1.057 215 L CA -1.193 53.590 54.840 -0.096 0.000 0.803 215 L CB 1.927 43.891 42.059 -0.159 0.000 1.207 215 L HN 0.717 nan 8.230 nan 0.000 0.445 216 D N 1.173 121.543 120.400 -0.050 0.000 2.380 216 D HA 0.301 4.941 4.640 -0.000 0.000 0.230 216 D C 0.730 176.984 176.300 -0.076 0.000 1.154 216 D CA -0.257 53.721 54.000 -0.036 0.000 0.859 216 D CB 1.900 42.706 40.800 0.009 0.000 1.045 216 D HN 0.581 nan 8.370 nan 0.000 0.495 217 A N 3.730 126.457 122.820 -0.155 0.000 2.024 217 A HA -0.204 4.116 4.320 -0.000 0.000 0.220 217 A C 1.292 178.657 177.584 -0.366 0.000 1.164 217 A CA 1.436 53.294 52.037 -0.299 0.000 0.643 217 A CB -0.545 18.212 19.000 -0.406 0.000 0.806 217 A HN 0.775 nan 8.150 nan 0.000 0.451 218 H N -1.267 117.785 119.070 -0.029 0.000 2.586 218 H HA 0.556 5.112 4.556 -0.000 0.000 0.273 218 H C 0.994 176.317 175.328 -0.008 0.000 0.997 218 H CA 0.059 56.096 56.048 -0.019 0.000 1.177 218 H CB 0.175 29.927 29.762 -0.015 0.000 1.471 218 H HN 0.532 nan 8.280 nan 0.000 0.538 219 A N 1.197 124.059 122.820 0.071 0.000 2.332 219 A HA 0.363 4.683 4.320 -0.000 0.000 0.258 219 A C 0.698 178.314 177.584 0.053 0.000 1.087 219 A CA -0.251 51.823 52.037 0.062 0.000 0.802 219 A CB 0.160 19.191 19.000 0.050 0.000 1.042 219 A HN 0.435 nan 8.150 nan 0.000 0.489 220 S N 0.469 116.206 115.700 0.062 0.000 2.576 220 S HA 0.092 4.562 4.470 -0.000 0.000 0.272 220 S C 1.014 175.663 174.600 0.082 0.000 1.352 220 S CA 0.263 58.502 58.200 0.065 0.000 1.021 220 S CB 0.218 63.461 63.200 0.072 0.000 0.887 220 S HN 0.993 nan 8.310 nan 0.000 0.542 221 I N 1.191 121.812 120.570 0.085 0.000 2.394 221 I HA -0.156 4.014 4.170 -0.000 0.000 0.251 221 I C 2.342 178.507 176.117 0.079 0.000 1.136 221 I CA 1.617 62.988 61.300 0.118 0.000 1.425 221 I CB -0.875 37.203 38.000 0.130 0.000 1.079 221 I HN 0.987 nan 8.210 nan 0.000 0.425 222 H N 0.236 119.265 119.070 -0.068 0.000 2.352 222 H HA -0.222 4.334 4.556 -0.000 0.000 0.299 222 H C 2.024 177.335 175.328 -0.028 0.000 1.097 222 H CA 2.056 58.003 56.048 -0.169 0.000 1.311 222 H CB 0.157 29.820 29.762 -0.164 0.000 1.377 222 H HN 0.428 nan 8.280 nan 0.000 0.504 223 E N 0.694 120.955 120.200 0.102 0.000 2.077 223 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 223 E C 2.009 178.641 176.600 0.053 0.000 0.989 223 E CA 1.458 57.903 56.400 0.074 0.000 0.800 223 E CB -0.220 29.536 29.700 0.093 0.000 0.746 223 E HN 0.401 nan 8.360 nan 0.000 0.452 224 N N -0.390 118.368 118.700 0.095 0.000 2.216 224 N HA -0.076 4.664 4.740 -0.000 0.000 0.183 224 N C 1.793 177.468 175.510 0.275 0.000 1.017 224 N CA 1.261 54.409 53.050 0.164 0.000 0.861 224 N CB -0.115 38.457 38.487 0.140 0.000 0.986 224 N HN 0.097 nan 8.380 nan 0.000 0.428 225 V N 1.494 121.538 119.914 0.217 0.000 2.427 225 V HA -0.137 3.983 4.120 -0.000 0.000 0.248 225 V C 2.388 178.533 176.094 0.085 0.000 1.051 225 V CA 1.258 63.602 62.300 0.075 0.000 1.048 225 V CB -0.377 31.462 31.823 0.028 0.000 0.666 225 V HN 0.241 nan 8.190 nan 0.000 0.456 226 R N -0.166 120.390 120.500 0.093 0.000 2.091 226 R HA -0.144 4.196 4.340 -0.000 0.000 0.238 226 R C 2.612 178.920 176.300 0.015 0.000 1.136 226 R CA 1.586 57.710 56.100 0.041 0.000 0.959 226 R CB -0.296 29.973 30.300 -0.051 0.000 0.856 226 R HN 0.493 nan 8.270 nan 0.000 0.437 227 R N 0.337 120.860 120.500 0.038 0.000 2.083 227 R HA -0.164 4.176 4.340 -0.000 0.000 0.237 227 R C 2.362 178.698 176.300 0.060 0.000 1.137 227 R CA 1.296 57.425 56.100 0.049 0.000 0.951 227 R CB -0.578 29.755 30.300 0.056 0.000 0.851 227 R HN 0.122 nan 8.270 nan 0.000 0.434 228 L N 1.366 122.606 121.223 0.029 0.000 1.990 228 L HA -0.207 4.133 4.340 -0.000 0.000 0.213 228 L C 2.034 178.908 176.870 0.006 0.000 1.072 228 L CA 1.772 56.582 54.840 -0.049 0.000 0.755 228 L CB -0.425 41.388 42.059 -0.410 0.000 0.889 228 L HN 0.151 nan 8.230 nan 0.000 0.432 229 L N -1.160 120.040 121.223 -0.039 0.000 2.093 229 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 229 L C 2.620 179.474 176.870 -0.026 0.000 1.085 229 L CA 1.215 56.025 54.840 -0.051 0.000 0.755 229 L CB -0.669 41.342 42.059 -0.080 0.000 0.904 229 L HN 0.391 nan 8.230 nan 0.000 0.435 230 Q N 0.362 120.166 119.800 0.006 0.000 2.061 230 Q HA -0.260 4.080 4.340 -0.000 0.000 0.204 230 Q C 2.046 178.077 176.000 0.053 0.000 0.984 230 Q CA 2.000 57.812 55.803 0.016 0.000 0.846 230 Q CB -0.522 28.233 28.738 0.028 0.000 0.902 230 Q HN 0.418 nan 8.270 nan 0.000 0.421 231 F N 0.543 120.459 119.950 -0.056 0.000 2.075 231 F HA -0.202 4.325 4.527 -0.000 0.000 0.297 231 F C 2.264 178.024 175.800 -0.067 0.000 1.113 231 F CA 2.520 60.490 58.000 -0.049 0.000 1.218 231 F CB -0.954 38.022 39.000 -0.041 0.000 0.984 231 F HN 0.302 nan 8.300 nan 0.000 0.472 232 T N -2.569 111.949 114.554 -0.060 0.000 2.821 232 T HA -0.180 4.170 4.350 -0.000 0.000 0.267 232 T C 2.024 176.596 174.700 -0.213 0.000 1.046 232 T CA 1.794 63.775 62.100 -0.199 0.000 1.139 232 T CB -1.500 67.297 68.868 -0.118 0.000 0.871 232 T HN 0.480 nan 8.240 nan 0.000 0.454 233 T N 0.238 114.702 114.554 -0.151 0.000 2.821 233 T HA -0.056 4.294 4.350 -0.000 0.000 0.267 233 T C 2.295 176.923 174.700 -0.121 0.000 1.046 233 T CA 1.405 63.421 62.100 -0.139 0.000 1.139 233 T CB -0.951 67.847 68.868 -0.116 0.000 0.871 233 T HN 0.372 nan 8.240 nan 0.000 0.454 234 S N 1.398 117.021 115.700 -0.128 0.000 2.382 234 S HA 0.093 4.563 4.470 -0.000 0.000 0.228 234 S C 1.934 176.455 174.600 -0.132 0.000 1.027 234 S CA 1.036 59.171 58.200 -0.108 0.000 0.991 234 S CB -0.507 62.635 63.200 -0.097 0.000 0.823 234 S HN 0.503 nan 8.310 nan 0.000 0.469 235 I N 1.370 121.795 120.570 -0.241 0.000 2.226 235 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 235 I C 2.361 178.438 176.117 -0.066 0.000 1.100 235 I CA 1.270 62.447 61.300 -0.206 0.000 1.374 235 I CB -0.347 37.450 38.000 -0.338 0.000 1.057 235 I HN 0.294 nan 8.210 nan 0.000 0.413 236 M N -0.137 119.391 119.600 -0.119 0.000 2.080 236 M HA -0.238 4.242 4.480 -0.000 0.000 0.260 236 M C 2.183 178.625 176.300 0.237 0.000 1.068 236 M CA 1.901 57.147 55.300 -0.089 0.000 1.109 236 M CB -0.504 31.876 32.600 -0.366 0.000 1.342 236 M HN 0.153 nan 8.290 nan 0.000 0.405 237 E N 0.318 120.595 120.200 0.129 0.000 2.106 237 E HA -0.128 4.222 4.350 -0.000 0.000 0.192 237 E C 2.089 178.778 176.600 0.147 0.000 0.984 237 E CA 1.110 57.608 56.400 0.163 0.000 0.806 237 E CB -0.155 29.592 29.700 0.078 0.000 0.750 237 E HN 0.515 nan 8.360 nan 0.000 0.458 238 A N 1.401 124.285 122.820 0.106 0.000 2.019 238 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 238 A C 1.713 179.408 177.584 0.186 0.000 1.164 238 A CA 1.053 53.155 52.037 0.109 0.000 0.644 238 A CB -0.163 18.875 19.000 0.063 0.000 0.805 238 A HN 0.142 nan 8.150 nan 0.000 0.449 239 N N -0.678 118.177 118.700 0.258 0.000 2.280 239 N HA 0.007 4.747 4.740 -0.000 0.000 0.192 239 N C 1.043 176.700 175.510 0.244 0.000 1.109 239 N CA 0.264 53.531 53.050 0.363 0.000 0.855 239 N CB 0.145 38.888 38.487 0.425 0.000 0.974 239 N HN 0.628 nan 8.380 nan 0.000 0.482 240 E N 1.036 121.343 120.200 0.177 0.000 2.077 240 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 240 E C 1.324 177.882 176.600 -0.071 0.000 0.989 240 E CA 0.822 57.237 56.400 0.025 0.000 0.800 240 E CB 0.211 29.942 29.700 0.053 0.000 0.746 240 E HN 0.262 nan 8.360 nan 0.000 0.452 241 E N -0.021 120.143 120.200 -0.060 0.000 2.072 241 E HA -0.107 4.243 4.350 -0.000 0.000 0.191 241 E C 2.241 178.686 176.600 -0.257 0.000 0.985 241 E CA 0.990 57.314 56.400 -0.126 0.000 0.801 241 E CB -0.355 29.294 29.700 -0.086 0.000 0.750 241 E HN 0.326 nan 8.360 nan 0.000 0.452 242 G N 1.298 109.811 108.800 -0.479 0.000 2.450 242 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.220 242 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.220 242 G C 1.734 176.275 174.900 -0.597 0.000 1.130 242 G CA 0.598 45.027 45.100 -1.118 0.000 0.760 242 G HN 0.169 nan 8.290 nan 0.000 0.557 243 I N -0.100 120.325 120.570 -0.243 0.000 2.163 243 I HA -0.095 4.075 4.170 -0.000 0.000 0.240 243 I C 3.006 179.123 176.117 -0.000 0.000 1.081 243 I CA 0.922 62.196 61.300 -0.043 0.000 1.353 243 I CB -0.198 37.781 38.000 -0.034 0.000 1.054 243 I HN 0.036 nan 8.210 nan 0.000 0.407 244 R N 0.763 121.209 120.500 -0.091 0.000 2.120 244 R HA -0.101 4.239 4.340 -0.000 0.000 0.234 244 R C 1.820 178.153 176.300 0.056 0.000 1.123 244 R CA 0.936 56.994 56.100 -0.069 0.000 0.975 244 R CB -0.085 30.137 30.300 -0.131 0.000 0.866 244 R HN 0.220 nan 8.270 nan 0.000 0.446 245 K N 0.275 120.654 120.400 -0.036 0.000 2.404 245 K HA -0.019 4.301 4.320 -0.000 0.000 0.194 245 K C -0.108 176.457 176.600 -0.059 0.000 1.023 245 K CA 0.191 56.447 56.287 -0.052 0.000 1.094 245 K CB 0.223 32.653 32.500 -0.117 0.000 0.841 245 K HN 0.015 nan 8.250 nan 0.000 0.523 246 D N 0.908 121.298 120.400 -0.017 0.000 2.699 246 D HA -0.173 4.467 4.640 -0.000 0.000 0.239 246 D C 0.723 176.983 176.300 -0.067 0.000 1.136 246 D CA 0.100 54.074 54.000 -0.043 0.000 0.668 246 D CB -0.749 39.934 40.800 -0.195 0.000 1.060 246 D HN 0.009 nan 8.370 nan 0.000 0.429 247 I N 0.629 121.120 120.570 -0.131 0.000 2.163 247 I HA -0.006 4.164 4.170 -0.000 0.000 0.240 247 I C 1.327 177.509 176.117 0.108 0.000 1.081 247 I CA 2.176 63.439 61.300 -0.061 0.000 1.353 247 I CB -1.041 36.837 38.000 -0.203 0.000 1.054 247 I HN 0.619 nan 8.210 nan 0.000 0.407 248 D N -3.205 117.344 120.400 0.249 0.000 2.792 248 D HA 0.034 4.674 4.640 -0.000 0.000 0.335 248 D C 0.457 176.928 176.300 0.285 0.000 1.353 248 D CA 0.155 54.292 54.000 0.228 0.000 0.839 248 D CB 0.404 41.314 40.800 0.182 0.000 1.396 248 D HN -0.110 nan 8.370 nan 0.000 0.479 249 S N -1.265 114.526 115.700 0.152 0.000 2.489 249 S HA -0.097 4.373 4.470 -0.000 0.000 0.228 249 S C 1.389 176.068 174.600 0.131 0.000 0.995 249 S CA 0.961 59.229 58.200 0.114 0.000 0.934 249 S CB -0.400 62.816 63.200 0.027 0.000 0.771 249 S HN 0.531 nan 8.310 nan 0.000 0.522 250 E N 0.275 120.531 120.200 0.093 0.000 2.204 250 E HA -0.095 4.255 4.350 -0.000 0.000 0.195 250 E C 1.118 177.726 176.600 0.013 0.000 0.990 250 E CA 1.036 57.442 56.400 0.011 0.000 0.821 250 E CB -0.188 29.420 29.700 -0.155 0.000 0.750 250 E HN 0.697 nan 8.360 nan 0.000 0.477 251 F N 0.199 120.201 119.950 0.087 0.000 2.102 251 F HA -0.177 4.350 4.527 -0.000 0.000 0.298 251 F C 2.220 178.086 175.800 0.109 0.000 1.105 251 F CA 0.678 58.730 58.000 0.087 0.000 1.239 251 F CB -0.390 38.647 39.000 0.061 0.000 0.991 251 F HN 0.130 nan 8.300 nan 0.000 0.474 252 L N -0.392 120.993 121.223 0.270 0.000 2.093 252 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 252 L C 2.427 179.416 176.870 0.197 0.000 1.085 252 L CA 1.809 56.742 54.840 0.155 0.000 0.755 252 L CB -0.991 41.094 42.059 0.045 0.000 0.904 252 L HN 0.168 nan 8.230 nan 0.000 0.435 253 H N -0.233 118.884 119.070 0.078 0.000 2.290 253 H HA -0.182 4.374 4.556 -0.000 0.000 0.298 253 H C 1.762 177.133 175.328 0.072 0.000 1.087 253 H CA 2.369 58.446 56.048 0.048 0.000 1.291 253 H CB -0.215 29.549 29.762 0.005 0.000 1.369 253 H HN 0.392 nan 8.280 nan 0.000 0.492 254 D N -0.545 119.815 120.400 -0.066 0.000 2.178 254 D HA -0.151 4.489 4.640 -0.000 0.000 0.202 254 D C 2.117 178.404 176.300 -0.020 0.000 0.974 254 D CA 0.845 54.766 54.000 -0.132 0.000 0.841 254 D CB -0.661 40.102 40.800 -0.061 0.000 0.953 254 D HN 0.399 nan 8.370 nan 0.000 0.478 255 F N 1.827 121.753 119.950 -0.040 0.000 2.102 255 F HA -0.173 4.354 4.527 -0.000 0.000 0.298 255 F C 2.375 178.159 175.800 -0.027 0.000 1.105 255 F CA 1.476 59.482 58.000 0.009 0.000 1.239 255 F CB 0.129 39.187 39.000 0.097 0.000 0.991 255 F HN -0.208 nan 8.300 nan 0.000 0.474 256 R N -0.294 120.320 120.500 0.190 0.000 2.081 256 R HA -0.130 4.210 4.340 -0.000 0.000 0.235 256 R C 2.109 178.365 176.300 -0.072 0.000 1.131 256 R CA 1.549 57.681 56.100 0.053 0.000 0.960 256 R CB -0.792 29.551 30.300 0.072 0.000 0.856 256 R HN 0.238 nan 8.270 nan 0.000 0.436 257 V N 1.086 120.906 119.914 -0.157 0.000 2.332 257 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 257 V C 2.422 178.409 176.094 -0.178 0.000 1.055 257 V CA 2.031 64.228 62.300 -0.173 0.000 1.038 257 V CB -0.718 30.955 31.823 -0.251 0.000 0.651 257 V HN 0.431 nan 8.190 nan 0.000 0.450 258 A N -0.215 122.491 122.820 -0.191 0.000 1.902 258 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 258 A C 2.175 179.623 177.584 -0.225 0.000 1.181 258 A CA 1.869 53.777 52.037 -0.216 0.000 0.623 258 A CB -0.495 18.354 19.000 -0.252 0.000 0.818 258 A HN 0.506 nan 8.150 nan 0.000 0.443 259 I N -1.158 119.277 120.570 -0.226 0.000 2.142 259 I HA -0.243 3.927 4.170 -0.000 0.000 0.240 259 I C 2.688 178.713 176.117 -0.154 0.000 1.078 259 I CA 1.731 62.921 61.300 -0.182 0.000 1.343 259 I CB -0.296 37.614 38.000 -0.149 0.000 1.046 259 I HN 0.339 nan 8.210 nan 0.000 0.405 260 R N 0.837 121.255 120.500 -0.137 0.000 2.083 260 R HA -0.229 4.111 4.340 -0.000 0.000 0.237 260 R C 2.457 178.584 176.300 -0.288 0.000 1.137 260 R CA 1.747 57.775 56.100 -0.120 0.000 0.951 260 R CB -0.163 30.118 30.300 -0.033 0.000 0.851 260 R HN 0.098 nan 8.270 nan 0.000 0.434 261 R N -0.179 120.038 120.500 -0.472 0.000 2.073 261 R HA -0.058 4.282 4.340 -0.000 0.000 0.234 261 R C 2.369 178.428 176.300 -0.401 0.000 1.134 261 R CA 2.138 57.814 56.100 -0.707 0.000 0.952 261 R CB -0.236 29.754 30.300 -0.517 0.000 0.850 261 R HN 0.179 nan 8.270 nan 0.000 0.433 262 S N 0.028 115.567 115.700 -0.268 0.000 2.359 262 S HA -0.187 4.283 4.470 -0.000 0.000 0.223 262 S C 1.856 176.372 174.600 -0.140 0.000 1.039 262 S CA 1.562 59.647 58.200 -0.191 0.000 1.042 262 S CB -0.253 62.856 63.200 -0.152 0.000 0.915 262 S HN 0.339 nan 8.310 nan 0.000 0.439 263 R N 0.631 121.060 120.500 -0.118 0.000 2.073 263 R HA -0.041 4.299 4.340 -0.000 0.000 0.234 263 R C 2.801 179.082 176.300 -0.032 0.000 1.134 263 R CA 1.433 57.496 56.100 -0.061 0.000 0.952 263 R CB -0.632 29.640 30.300 -0.048 0.000 0.850 263 R HN 0.272 nan 8.270 nan 0.000 0.433 264 S N 0.478 116.150 115.700 -0.045 0.000 2.353 264 S HA -0.112 4.358 4.470 -0.000 0.000 0.222 264 S C 1.913 176.531 174.600 0.031 0.000 1.035 264 S CA 1.121 59.346 58.200 0.042 0.000 1.025 264 S CB -0.091 63.194 63.200 0.141 0.000 0.902 264 S HN 0.148 nan 8.310 nan 0.000 0.440 265 I N 1.369 121.901 120.570 -0.063 0.000 2.315 265 I HA -0.095 4.075 4.170 -0.000 0.000 0.248 265 I C 2.205 178.309 176.117 -0.021 0.000 1.117 265 I CA 1.128 62.378 61.300 -0.083 0.000 1.404 265 I CB -1.342 36.467 38.000 -0.318 0.000 1.071 265 I HN 0.324 nan 8.210 nan 0.000 0.419 266 L N -0.203 121.017 121.223 -0.005 0.000 2.141 266 L HA -0.162 4.178 4.340 -0.000 0.000 0.209 266 L C 2.783 179.711 176.870 0.096 0.000 1.094 266 L CA 0.904 55.793 54.840 0.082 0.000 0.763 266 L CB -0.349 41.755 42.059 0.075 0.000 0.908 266 L HN 0.189 nan 8.230 nan 0.000 0.437 267 R N 0.242 120.783 120.500 0.069 0.000 2.066 267 R HA -0.015 4.325 4.340 -0.000 0.000 0.224 267 R C 2.214 178.565 176.300 0.086 0.000 1.122 267 R CA 1.042 57.188 56.100 0.075 0.000 0.974 267 R CB -0.395 29.942 30.300 0.062 0.000 0.871 267 R HN 0.315 nan 8.270 nan 0.000 0.435 268 L N 0.816 122.095 121.223 0.094 0.000 2.131 268 L HA -0.104 4.236 4.340 -0.000 0.000 0.210 268 L C 1.392 178.336 176.870 0.124 0.000 1.092 268 L CA 0.997 55.905 54.840 0.113 0.000 0.759 268 L CB -0.111 42.033 42.059 0.143 0.000 0.903 268 L HN 0.091 nan 8.230 nan 0.000 0.435 269 L N -0.033 121.263 121.223 0.122 0.000 3.034 269 L HA 0.184 4.524 4.340 -0.000 0.000 0.245 269 L C 0.064 176.996 176.870 0.104 0.000 1.295 269 L CA -0.496 54.419 54.840 0.125 0.000 1.068 269 L CB -0.700 41.444 42.059 0.142 0.000 1.426 269 L HN 0.155 nan 8.230 nan 0.000 0.531 270 N N 1.270 120.032 118.700 0.104 0.000 2.458 270 N HA 0.215 4.955 4.740 -0.000 0.000 0.258 270 N C 1.190 176.754 175.510 0.090 0.000 1.219 270 N CA 1.697 54.812 53.050 0.108 0.000 0.902 270 N CB 0.781 39.325 38.487 0.096 0.000 1.076 270 N HN 0.442 nan 8.380 nan 0.000 0.455 271 G N 0.827 109.685 108.800 0.096 0.000 2.179 271 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.220 271 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.220 271 G C 0.715 175.635 174.900 0.034 0.000 0.990 271 G CA 0.174 45.317 45.100 0.071 0.000 0.646 271 G HN 0.482 nan 8.290 nan 0.000 0.517 272 V N -0.174 119.727 119.914 -0.021 0.000 2.535 272 V HA 0.350 4.470 4.120 -0.000 0.000 0.246 272 V C 1.216 177.141 176.094 -0.282 0.000 1.045 272 V CA 1.572 63.747 62.300 -0.208 0.000 1.058 272 V CB -0.361 31.225 31.823 -0.395 0.000 0.689 272 V HN 0.288 nan 8.190 nan 0.000 0.461 273 F N -0.428 119.669 119.950 0.244 0.000 2.557 273 F HA 0.389 4.916 4.527 -0.000 0.000 0.336 273 F C 0.471 176.397 175.800 0.211 0.000 1.058 273 F CA -1.653 56.531 58.000 0.308 0.000 0.988 273 F CB 0.252 39.484 39.000 0.386 0.000 1.275 273 F HN -0.087 nan 8.300 nan 0.000 0.488 274 D N 3.033 123.683 120.400 0.417 0.000 2.548 274 D HA -0.058 4.582 4.640 -0.000 0.000 0.231 274 D C -1.742 174.676 176.300 0.197 0.000 1.142 274 D CA -0.849 53.294 54.000 0.237 0.000 0.866 274 D CB 1.494 42.417 40.800 0.205 0.000 1.190 274 D HN 0.159 nan 8.370 nan 0.000 0.469 275 P HA -0.113 nan 4.420 nan 0.000 0.217 275 P C 1.188 178.545 177.300 0.095 0.000 1.151 275 P CA 1.832 65.001 63.100 0.114 0.000 0.828 275 P CB -0.079 31.672 31.700 0.084 0.000 0.788 276 E N 1.730 121.969 120.200 0.065 0.000 2.072 276 E HA -0.194 4.156 4.350 -0.000 0.000 0.191 276 E C 2.036 178.658 176.600 0.036 0.000 0.985 276 E CA 1.278 57.702 56.400 0.039 0.000 0.801 276 E CB -1.174 28.522 29.700 -0.006 0.000 0.750 276 E HN 0.178 nan 8.360 nan 0.000 0.452 277 K N 0.180 120.562 120.400 -0.029 0.000 2.057 277 K HA -0.082 4.237 4.320 -0.000 0.000 0.207 277 K C 2.445 179.067 176.600 0.037 0.000 1.049 277 K CA 1.765 57.955 56.287 -0.160 0.000 0.931 277 K CB -0.868 31.339 32.500 -0.488 0.000 0.714 277 K HN 0.484 nan 8.250 nan 0.000 0.440 278 T N 1.461 116.089 114.554 0.122 0.000 2.674 278 T HA -0.129 4.221 4.350 -0.000 0.000 0.265 278 T C 2.019 176.793 174.700 0.123 0.000 1.039 278 T CA 1.665 63.864 62.100 0.164 0.000 1.150 278 T CB -0.276 68.725 68.868 0.221 0.000 0.864 278 T HN 0.338 nan 8.240 nan 0.000 0.427 279 A N 0.489 123.383 122.820 0.124 0.000 1.902 279 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 279 A C 2.062 179.720 177.584 0.123 0.000 1.181 279 A CA 1.589 53.688 52.037 0.103 0.000 0.623 279 A CB -1.192 17.866 19.000 0.097 0.000 0.818 279 A HN 0.712 nan 8.150 nan 0.000 0.443 280 W N 0.484 121.771 121.300 -0.022 0.000 2.335 280 W HA -0.231 4.429 4.660 0.000 0.000 0.311 280 W C 2.164 178.723 176.519 0.066 0.000 1.213 280 W CA 2.316 59.659 57.345 -0.003 0.000 1.274 280 W CB -0.328 29.099 29.460 -0.055 0.000 1.148 280 W HN 0.284 nan 8.180 nan 0.000 0.498 281 M N -0.010 119.545 119.600 -0.074 0.000 2.086 281 M HA -0.231 4.249 4.480 -0.000 0.000 0.261 281 M C 2.200 178.411 176.300 -0.148 0.000 1.067 281 M CA 1.789 56.946 55.300 -0.238 0.000 1.116 281 M CB -0.872 31.670 32.600 -0.097 0.000 1.348 281 M HN 0.094 nan 8.290 nan 0.000 0.407 282 L N -0.482 120.699 121.223 -0.070 0.000 2.093 282 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 282 L C 2.789 179.597 176.870 -0.105 0.000 1.085 282 L CA 1.013 55.817 54.840 -0.059 0.000 0.755 282 L CB -0.754 41.303 42.059 -0.004 0.000 0.904 282 L HN 0.281 nan 8.230 nan 0.000 0.435 283 A N 0.171 122.919 122.820 -0.119 0.000 1.898 283 A HA -0.069 4.251 4.320 -0.000 0.000 0.216 283 A C 2.400 179.819 177.584 -0.274 0.000 1.181 283 A CA 1.516 53.468 52.037 -0.141 0.000 0.620 283 A CB -1.209 17.742 19.000 -0.082 0.000 0.819 283 A HN 0.413 nan 8.150 nan 0.000 0.442 284 G N 0.027 108.543 108.800 -0.474 0.000 2.446 284 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.217 284 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.217 284 G C 1.561 176.024 174.900 -0.729 0.000 1.168 284 G CA 1.114 45.645 45.100 -0.948 0.000 0.771 284 G HN 0.422 nan 8.290 nan 0.000 0.551 285 L N -0.024 120.963 121.223 -0.394 0.000 2.083 285 L HA -0.043 4.297 4.340 -0.000 0.000 0.209 285 L C 2.927 179.711 176.870 -0.143 0.000 1.083 285 L CA 1.356 56.084 54.840 -0.186 0.000 0.752 285 L CB -0.386 41.617 42.059 -0.095 0.000 0.899 285 L HN 0.231 nan 8.230 nan 0.000 0.433 286 R N 0.652 121.067 120.500 -0.142 0.000 2.083 286 R HA -0.214 4.126 4.340 -0.000 0.000 0.237 286 R C 2.339 178.575 176.300 -0.106 0.000 1.137 286 R CA 2.040 58.081 56.100 -0.098 0.000 0.951 286 R CB -0.227 30.025 30.300 -0.079 0.000 0.851 286 R HN 0.397 nan 8.270 nan 0.000 0.434 287 E N 1.239 121.347 120.200 -0.154 0.000 2.106 287 E HA -0.139 4.211 4.350 -0.000 0.000 0.192 287 E C 1.811 178.334 176.600 -0.127 0.000 0.984 287 E CA 1.181 57.492 56.400 -0.148 0.000 0.806 287 E CB -0.761 28.832 29.700 -0.178 0.000 0.750 287 E HN 0.314 nan 8.360 nan 0.000 0.458 288 L N 1.246 122.411 121.223 -0.096 0.000 1.970 288 L HA 0.072 4.412 4.340 -0.000 0.000 0.212 288 L C 2.766 179.695 176.870 0.099 0.000 1.071 288 L CA 2.702 57.597 54.840 0.092 0.000 0.751 288 L CB -1.143 41.022 42.059 0.176 0.000 0.889 288 L HN 0.336 nan 8.230 nan 0.000 0.432 289 G N -0.849 107.971 108.800 0.033 0.000 2.574 289 G HA2 -0.451 3.509 3.960 -0.000 0.000 0.220 289 G HA3 -0.451 3.509 3.960 -0.000 0.000 0.220 289 G C 1.721 176.597 174.900 -0.039 0.000 1.173 289 G CA 2.250 47.355 45.100 0.009 0.000 0.772 289 G HN 0.609 nan 8.290 nan 0.000 0.585 290 K N 0.810 121.172 120.400 -0.062 0.000 2.074 290 K HA -0.103 4.217 4.320 -0.000 0.000 0.209 290 K C 2.417 178.942 176.600 -0.124 0.000 1.048 290 K CA 1.807 58.043 56.287 -0.086 0.000 0.926 290 K CB -0.711 31.738 32.500 -0.085 0.000 0.713 290 K HN 0.356 nan 8.250 nan 0.000 0.444 291 R N 0.457 120.869 120.500 -0.147 0.000 2.139 291 R HA -0.110 4.230 4.340 -0.000 0.000 0.243 291 R C 2.570 178.706 176.300 -0.275 0.000 1.145 291 R CA 2.012 58.005 56.100 -0.177 0.000 0.976 291 R CB -1.019 29.131 30.300 -0.251 0.000 0.866 291 R HN 0.802 nan 8.270 nan 0.000 0.449 292 T N -1.743 112.596 114.554 -0.359 0.000 3.081 292 T HA 0.045 4.395 4.350 -0.000 0.000 0.255 292 T C 1.421 175.915 174.700 -0.344 0.000 1.113 292 T CA 0.301 62.039 62.100 -0.602 0.000 1.082 292 T CB -0.010 68.608 68.868 -0.417 0.000 0.939 292 T HN 0.015 nan 8.240 nan 0.000 0.506 293 N N 2.244 120.813 118.700 -0.219 0.000 2.084 293 N HA -0.079 4.661 4.740 -0.000 0.000 0.190 293 N C 1.464 176.876 175.510 -0.164 0.000 1.030 293 N CA 1.526 54.491 53.050 -0.143 0.000 0.849 293 N CB -0.432 37.998 38.487 -0.094 0.000 1.012 293 N HN 0.445 nan 8.380 nan 0.000 0.423 294 D N 0.387 120.629 120.400 -0.265 0.000 2.103 294 D HA -0.069 4.571 4.640 -0.000 0.000 0.199 294 D C 2.042 178.163 176.300 -0.299 0.000 0.978 294 D CA 0.284 54.023 54.000 -0.434 0.000 0.829 294 D CB -0.381 39.850 40.800 -0.948 0.000 0.981 294 D HN 0.075 nan 8.370 nan 0.000 0.464 295 L N 1.068 122.166 121.223 -0.209 0.000 2.012 295 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 295 L C 2.246 179.095 176.870 -0.035 0.000 1.073 295 L CA 1.663 56.489 54.840 -0.024 0.000 0.748 295 L CB -0.486 41.538 42.059 -0.057 0.000 0.891 295 L HN -0.162 nan 8.230 nan 0.000 0.431 296 R N 0.219 120.657 120.500 -0.102 0.000 2.083 296 R HA -0.185 4.155 4.340 -0.000 0.000 0.237 296 R C 1.951 178.219 176.300 -0.054 0.000 1.137 296 R CA 2.076 58.135 56.100 -0.069 0.000 0.951 296 R CB -1.028 29.230 30.300 -0.070 0.000 0.851 296 R HN 0.453 nan 8.270 nan 0.000 0.434 297 D N -0.422 119.963 120.400 -0.025 0.000 2.116 297 D HA -0.140 4.500 4.640 -0.000 0.000 0.193 297 D C 1.942 178.294 176.300 0.086 0.000 0.998 297 D CA 1.879 55.901 54.000 0.035 0.000 0.836 297 D CB -0.406 40.480 40.800 0.142 0.000 0.951 297 D HN 0.205 nan 8.370 nan 0.000 0.449 298 S N 0.590 116.359 115.700 0.115 0.000 2.359 298 S HA -0.164 4.306 4.470 -0.000 0.000 0.224 298 S C 1.491 176.133 174.600 0.070 0.000 1.035 298 S CA 1.280 59.564 58.200 0.140 0.000 1.018 298 S CB -0.280 63.043 63.200 0.204 0.000 0.876 298 S HN 0.228 nan 8.310 nan 0.000 0.448 299 D N 0.889 121.306 120.400 0.028 0.000 2.104 299 D HA -0.067 4.573 4.640 -0.000 0.000 0.194 299 D C 2.037 178.295 176.300 -0.070 0.000 0.994 299 D CA 0.744 54.738 54.000 -0.010 0.000 0.830 299 D CB -0.630 40.164 40.800 -0.011 0.000 0.959 299 D HN 0.152 nan 8.370 nan 0.000 0.452 300 V N 0.118 119.944 119.914 -0.146 0.000 2.343 300 V HA -0.259 3.861 4.120 -0.000 0.000 0.247 300 V C 1.967 177.837 176.094 -0.374 0.000 1.051 300 V CA 1.505 63.619 62.300 -0.310 0.000 1.036 300 V CB -0.472 31.081 31.823 -0.450 0.000 0.654 300 V HN 0.222 nan 8.190 nan 0.000 0.451 301 Y N -0.811 119.404 120.300 -0.142 0.000 2.337 301 Y HA 0.001 4.551 4.550 -0.000 0.000 0.293 301 Y C 2.175 178.103 175.900 0.046 0.000 1.123 301 Y CA 0.884 58.926 58.100 -0.097 0.000 1.201 301 Y CB -0.294 38.059 38.460 -0.178 0.000 1.011 301 Y HN 0.127 nan 8.280 nan 0.000 0.545 302 L N -0.673 120.639 121.223 0.148 0.000 2.131 302 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 302 L C 1.960 178.803 176.870 -0.045 0.000 1.092 302 L CA 1.088 55.988 54.840 0.100 0.000 0.759 302 L CB -0.433 41.656 42.059 0.050 0.000 0.903 302 L HN 0.290 nan 8.230 nan 0.000 0.435 303 L N -0.839 120.333 121.223 -0.085 0.000 2.313 303 L HA -0.100 4.240 4.340 -0.000 0.000 0.214 303 L C 2.082 178.847 176.870 -0.175 0.000 1.119 303 L CA 0.664 55.426 54.840 -0.131 0.000 0.809 303 L CB -0.289 41.687 42.059 -0.138 0.000 0.933 303 L HN 0.193 nan 8.230 nan 0.000 0.449 304 R N -0.069 120.299 120.500 -0.220 0.000 2.325 304 R HA 0.010 4.350 4.340 -0.000 0.000 0.214 304 R C 2.412 178.562 176.300 -0.250 0.000 0.961 304 R CA 0.340 56.227 56.100 -0.354 0.000 1.086 304 R CB -0.247 29.611 30.300 -0.737 0.000 1.037 304 R HN 0.319 nan 8.270 nan 0.000 0.493 305 R N 1.266 121.633 120.500 -0.222 0.000 2.070 305 R HA -0.169 4.171 4.340 -0.000 0.000 0.232 305 R C 2.321 178.497 176.300 -0.207 0.000 1.138 305 R CA 1.986 57.808 56.100 -0.462 0.000 0.936 305 R CB -1.666 28.159 30.300 -0.792 0.000 0.839 305 R HN 0.484 nan 8.270 nan 0.000 0.429 306 E N 1.219 121.324 120.200 -0.159 0.000 2.033 306 E HA -0.317 4.033 4.350 -0.000 0.000 0.199 306 E C 1.932 178.537 176.600 0.007 0.000 1.011 306 E CA 2.151 58.511 56.400 -0.067 0.000 0.815 306 E CB -0.832 28.829 29.700 -0.064 0.000 0.755 306 E HN 0.906 nan 8.360 nan 0.000 0.451 307 E N -1.275 118.923 120.200 -0.003 0.000 2.070 307 E HA -0.234 4.116 4.350 -0.000 0.000 0.197 307 E C 2.104 178.833 176.600 0.215 0.000 1.004 307 E CA 1.631 58.065 56.400 0.058 0.000 0.805 307 E CB -0.374 29.320 29.700 -0.010 0.000 0.744 307 E HN 0.608 nan 8.360 nan 0.000 0.451 308 Y N 1.466 121.847 120.300 0.136 0.000 2.163 308 Y HA -0.106 4.444 4.550 -0.000 0.000 0.288 308 Y C 2.745 178.739 175.900 0.157 0.000 1.136 308 Y CA 1.721 59.933 58.100 0.187 0.000 1.147 308 Y CB -0.997 37.679 38.460 0.360 0.000 0.987 308 Y HN 0.233 nan 8.280 nan 0.000 0.509 309 T N -2.712 112.041 114.554 0.332 0.000 3.098 309 T HA -0.072 4.278 4.350 -0.000 0.000 0.266 309 T C 1.860 176.637 174.700 0.128 0.000 1.145 309 T CA 1.131 63.356 62.100 0.209 0.000 1.092 309 T CB -0.234 68.739 68.868 0.174 0.000 0.908 309 T HN 0.099 nan 8.240 nan 0.000 0.526 310 S N 0.782 116.557 115.700 0.125 0.000 2.503 310 S HA 0.309 4.779 4.470 -0.000 0.000 0.217 310 S C 1.663 176.310 174.600 0.079 0.000 0.999 310 S CA -0.045 58.206 58.200 0.084 0.000 0.914 310 S CB -0.172 63.069 63.200 0.069 0.000 0.782 310 S HN 0.458 nan 8.310 nan 0.000 0.520 311 L N 0.794 122.076 121.223 0.098 0.000 2.418 311 L HA 0.228 4.568 4.340 -0.000 0.000 0.218 311 L C 0.329 177.225 176.870 0.043 0.000 1.125 311 L CA 0.490 55.372 54.840 0.071 0.000 0.835 311 L CB -0.277 41.828 42.059 0.077 0.000 0.953 311 L HN 0.177 nan 8.230 nan 0.000 0.454 312 L N 1.106 122.357 121.223 0.046 0.000 2.343 312 L HA 0.360 4.700 4.340 -0.000 0.000 0.275 312 L C -1.962 174.924 176.870 0.026 0.000 1.056 312 L CA -2.075 52.781 54.840 0.026 0.000 0.804 312 L CB 0.952 43.027 42.059 0.027 0.000 1.203 312 L HN -0.183 nan 8.230 nan 0.000 0.440 313 P HA 0.078 nan 4.420 nan 0.000 0.264 313 P C -2.247 175.064 177.300 0.020 0.000 1.193 313 P CA -1.150 61.959 63.100 0.015 0.000 0.763 313 P CB 0.086 31.790 31.700 0.007 0.000 0.810 314 P HA -0.218 nan 4.420 nan 0.000 0.220 314 P C 1.553 178.867 177.300 0.023 0.000 1.142 314 P CA 1.728 64.843 63.100 0.025 0.000 0.801 314 P CB -0.170 31.543 31.700 0.021 0.000 0.764 315 S N -1.866 113.844 115.700 0.017 0.000 2.470 315 S HA 0.011 4.481 4.470 -0.000 0.000 0.225 315 S C 1.656 176.264 174.600 0.012 0.000 1.006 315 S CA 0.495 58.703 58.200 0.013 0.000 0.934 315 S CB -1.014 62.191 63.200 0.007 0.000 0.778 315 S HN 0.113 nan 8.310 nan 0.000 0.517 316 L N 0.288 121.517 121.223 0.011 0.000 2.477 316 L HA 0.244 4.584 4.340 -0.000 0.000 0.220 316 L C 3.353 180.237 176.870 0.023 0.000 1.106 316 L CA 0.519 55.362 54.840 0.005 0.000 0.851 316 L CB -0.710 41.342 42.059 -0.012 0.000 0.994 316 L HN 0.441 nan 8.230 nan 0.000 0.462 317 R N 1.541 122.066 120.500 0.042 0.000 2.091 317 R HA -0.143 4.197 4.340 -0.000 0.000 0.238 317 R C -0.107 176.249 176.300 0.094 0.000 1.136 317 R CA 1.924 58.069 56.100 0.075 0.000 0.959 317 R CB -2.844 27.499 30.300 0.071 0.000 0.856 317 R HN 0.388 nan 8.270 nan 0.000 0.437 318 P HA 0.017 nan 4.420 nan 0.000 0.223 318 P C 0.897 178.246 177.300 0.081 0.000 1.151 318 P CA 1.237 64.384 63.100 0.078 0.000 0.787 318 P CB -0.087 31.644 31.700 0.053 0.000 0.788 319 A N -0.863 121.991 122.820 0.057 0.000 2.255 319 A HA 0.033 4.353 4.320 -0.000 0.000 0.206 319 A C 1.723 179.336 177.584 0.049 0.000 1.193 319 A CA 0.501 52.561 52.037 0.038 0.000 0.794 319 A CB -1.041 17.961 19.000 0.004 0.000 0.794 319 A HN 0.105 nan 8.150 nan 0.000 0.481 320 L N -1.300 119.991 121.223 0.113 0.000 2.664 320 L HA 0.199 4.539 4.340 -0.000 0.000 0.233 320 L C 1.069 178.125 176.870 0.311 0.000 1.113 320 L CA 0.791 55.725 54.840 0.156 0.000 0.896 320 L CB 0.002 42.210 42.059 0.249 0.000 1.163 320 L HN 0.190 nan 8.230 nan 0.000 0.497 321 D N 0.490 121.048 120.400 0.263 0.000 2.084 321 D HA -0.128 4.512 4.640 -0.000 0.000 0.194 321 D C -0.667 175.755 176.300 0.204 0.000 0.990 321 D CA 1.724 55.879 54.000 0.259 0.000 0.826 321 D CB -1.071 39.824 40.800 0.159 0.000 0.971 321 D HN 0.234 nan 8.370 nan 0.000 0.453 322 P HA -0.157 nan 4.420 nan 0.000 0.218 322 P C 1.668 179.027 177.300 0.099 0.000 1.148 322 P CA 0.859 64.018 63.100 0.098 0.000 0.822 322 P CB -0.180 31.562 31.700 0.071 0.000 0.784 323 F N 0.300 120.204 119.950 -0.076 0.000 2.134 323 F HA -0.143 4.384 4.527 -0.000 0.000 0.299 323 F C 1.904 177.588 175.800 -0.192 0.000 1.097 323 F CA 1.505 59.389 58.000 -0.192 0.000 1.264 323 F CB -0.819 37.971 39.000 -0.349 0.000 1.001 323 F HN -0.296 nan 8.300 nan 0.000 0.479 324 F N 0.298 120.273 119.950 0.041 0.000 2.367 324 F HA -0.032 4.495 4.527 -0.000 0.000 0.298 324 F C 2.895 178.659 175.800 -0.062 0.000 1.094 324 F CA 1.023 58.984 58.000 -0.065 0.000 1.409 324 F CB -1.217 37.828 39.000 0.076 0.000 1.064 324 F HN 0.129 nan 8.300 nan 0.000 0.528 325 S N -0.408 115.370 115.700 0.131 0.000 2.387 325 S HA -0.154 4.316 4.470 -0.000 0.000 0.226 325 S C 1.738 176.341 174.600 0.006 0.000 1.026 325 S CA 1.330 59.569 58.200 0.066 0.000 0.972 325 S CB -0.465 62.772 63.200 0.062 0.000 0.814 325 S HN 0.230 nan 8.310 nan 0.000 0.477 326 D N 2.104 122.483 120.400 -0.034 0.000 2.092 326 D HA -0.043 4.597 4.640 -0.000 0.000 0.193 326 D C 2.047 178.298 176.300 -0.081 0.000 0.994 326 D CA 1.250 55.211 54.000 -0.066 0.000 0.828 326 D CB -0.647 40.101 40.800 -0.087 0.000 0.963 326 D HN 0.373 nan 8.370 nan 0.000 0.450 327 L N 1.034 122.172 121.223 -0.142 0.000 2.051 327 L HA -0.229 4.111 4.340 -0.000 0.000 0.214 327 L C 2.394 179.262 176.870 -0.002 0.000 1.076 327 L CA 1.416 56.211 54.840 -0.074 0.000 0.758 327 L CB -0.438 41.556 42.059 -0.109 0.000 0.890 327 L HN 0.099 nan 8.230 nan 0.000 0.433 328 E N -0.145 120.061 120.200 0.010 0.000 2.110 328 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 328 E C 2.289 178.879 176.600 -0.017 0.000 0.988 328 E CA 1.137 57.542 56.400 0.008 0.000 0.804 328 E CB -0.187 29.522 29.700 0.016 0.000 0.745 328 E HN 0.545 nan 8.360 nan 0.000 0.458 329 A N 1.986 124.789 122.820 -0.028 0.000 1.902 329 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 329 A C 1.716 179.244 177.584 -0.093 0.000 1.181 329 A CA 1.764 53.772 52.037 -0.049 0.000 0.623 329 A CB -0.370 18.603 19.000 -0.044 0.000 0.818 329 A HN 0.071 nan 8.150 nan 0.000 0.443 330 D N -0.306 120.033 120.400 -0.101 0.000 2.104 330 D HA -0.174 4.466 4.640 -0.000 0.000 0.194 330 D C 1.868 178.054 176.300 -0.191 0.000 0.994 330 D CA 1.586 55.461 54.000 -0.209 0.000 0.830 330 D CB -0.330 40.455 40.800 -0.025 0.000 0.959 330 D HN 0.551 nan 8.370 nan 0.000 0.452 331 K N 0.713 121.107 120.400 -0.010 0.000 2.074 331 K HA -0.192 4.128 4.320 -0.000 0.000 0.209 331 K C 2.121 178.745 176.600 0.041 0.000 1.048 331 K CA 1.219 57.538 56.287 0.055 0.000 0.926 331 K CB 0.064 32.589 32.500 0.041 0.000 0.713 331 K HN 0.036 nan 8.250 nan 0.000 0.444 332 R N 0.192 120.683 120.500 -0.015 0.000 2.081 332 R HA -0.139 4.201 4.340 -0.000 0.000 0.235 332 R C 2.450 178.762 176.300 0.019 0.000 1.131 332 R CA 1.310 57.411 56.100 0.002 0.000 0.960 332 R CB -0.362 29.924 30.300 -0.024 0.000 0.856 332 R HN 0.205 nan 8.270 nan 0.000 0.436 333 L N 0.100 121.275 121.223 -0.080 0.000 2.005 333 L HA -0.135 4.205 4.340 -0.000 0.000 0.207 333 L C 1.825 178.685 176.870 -0.016 0.000 1.072 333 L CA 1.890 56.669 54.840 -0.102 0.000 0.744 333 L CB -0.459 41.458 42.059 -0.236 0.000 0.895 333 L HN 0.177 nan 8.230 nan 0.000 0.433 334 H N -2.142 116.974 119.070 0.076 0.000 2.387 334 H HA -0.175 4.381 4.556 -0.000 0.000 0.299 334 H C 2.091 177.489 175.328 0.116 0.000 1.090 334 H CA 1.297 57.392 56.048 0.079 0.000 1.332 334 H CB -0.166 29.630 29.762 0.055 0.000 1.386 334 H HN 0.496 nan 8.280 nan 0.000 0.516 335 H N 1.077 120.235 119.070 0.145 0.000 2.321 335 H HA -0.160 4.396 4.556 -0.000 0.000 0.300 335 H C 2.670 178.055 175.328 0.095 0.000 1.087 335 H CA 2.058 58.174 56.048 0.113 0.000 1.319 335 H CB 0.154 29.949 29.762 0.055 0.000 1.379 335 H HN 0.424 nan 8.280 nan 0.000 0.501 336 R N 1.126 121.705 120.500 0.131 0.000 2.081 336 R HA -0.131 4.209 4.340 -0.000 0.000 0.235 336 R C 2.438 178.748 176.300 0.017 0.000 1.131 336 R CA 1.725 57.854 56.100 0.048 0.000 0.960 336 R CB -1.273 29.067 30.300 0.067 0.000 0.856 336 R HN 0.604 nan 8.270 nan 0.000 0.436 337 Q N -1.234 118.612 119.800 0.078 0.000 2.030 337 Q HA -0.099 4.241 4.340 -0.000 0.000 0.204 337 Q C 2.094 178.159 176.000 0.108 0.000 0.986 337 Q CA 1.773 57.634 55.803 0.097 0.000 0.843 337 Q CB -0.255 28.570 28.738 0.146 0.000 0.904 337 Q HN 0.629 nan 8.270 nan 0.000 0.420 338 F N 0.404 120.325 119.950 -0.048 0.000 2.186 338 F HA -0.191 4.336 4.527 -0.000 0.000 0.299 338 F C 2.041 177.768 175.800 -0.121 0.000 1.090 338 F CA 0.711 58.669 58.000 -0.071 0.000 1.307 338 F CB -0.384 38.544 39.000 -0.119 0.000 1.019 338 F HN 0.096 nan 8.300 nan 0.000 0.489 339 C N 0.451 119.563 119.300 -0.314 0.000 2.425 339 C HA -0.129 4.331 4.460 -0.000 0.000 0.277 339 C C 2.873 177.678 174.990 -0.309 0.000 1.280 339 C CA 1.192 59.961 59.018 -0.415 0.000 1.744 339 C CB -1.289 26.218 27.740 -0.388 0.000 1.989 339 C HN 0.485 nan 8.230 nan 0.000 0.491 340 R N -0.400 119.996 120.500 -0.174 0.000 2.096 340 R HA -0.189 4.151 4.340 -0.000 0.000 0.235 340 R C 2.262 178.499 176.300 -0.105 0.000 1.127 340 R CA 1.792 57.829 56.100 -0.104 0.000 0.968 340 R CB -0.567 29.714 30.300 -0.030 0.000 0.861 340 R HN 0.653 nan 8.270 nan 0.000 0.440 341 Y N 1.108 121.263 120.300 -0.242 0.000 2.181 341 Y HA -0.151 4.399 4.550 -0.000 0.000 0.288 341 Y C 1.797 177.469 175.900 -0.379 0.000 1.146 341 Y CA 1.593 59.545 58.100 -0.247 0.000 1.164 341 Y CB -0.318 38.014 38.460 -0.214 0.000 0.982 341 Y HN 0.031 nan 8.280 nan 0.000 0.515 342 L N -0.209 120.509 121.223 -0.841 0.000 2.191 342 L HA -0.167 4.173 4.340 -0.000 0.000 0.212 342 L C 2.058 178.628 176.870 -0.500 0.000 1.103 342 L CA 1.826 56.054 54.840 -1.020 0.000 0.769 342 L CB -0.702 40.761 42.059 -0.992 0.000 0.908 342 L HN 0.408 nan 8.230 nan 0.000 0.438 343 T N -3.797 110.560 114.554 -0.328 0.000 3.086 343 T HA 0.231 4.581 4.350 -0.000 0.000 0.250 343 T C 0.837 175.473 174.700 -0.108 0.000 1.074 343 T CA 0.089 62.089 62.100 -0.166 0.000 0.988 343 T CB 0.038 68.826 68.868 -0.134 0.000 0.988 343 T HN 0.214 nan 8.240 nan 0.000 0.530 344 G N 0.072 108.791 108.800 -0.135 0.000 2.537 344 G HA2 0.522 4.482 3.960 -0.000 0.000 0.297 344 G HA3 0.522 4.482 3.960 -0.000 0.000 0.297 344 G C 0.963 175.845 174.900 -0.031 0.000 1.310 344 G CA -0.327 44.733 45.100 -0.067 0.000 1.027 344 G HN 0.365 nan 8.290 nan 0.000 0.505 345 R N -1.018 119.484 120.500 0.002 0.000 2.140 345 R HA 0.204 4.544 4.340 -0.000 0.000 0.213 345 R C 2.057 178.383 176.300 0.043 0.000 1.059 345 R CA 1.637 57.749 56.100 0.020 0.000 1.000 345 R CB -1.241 29.073 30.300 0.024 0.000 0.910 345 R HN 0.787 nan 8.270 nan 0.000 0.455 346 E N -0.770 119.471 120.200 0.068 0.000 2.058 346 E HA -0.253 4.097 4.350 -0.000 0.000 0.194 346 E C 1.873 178.552 176.600 0.132 0.000 0.997 346 E CA 1.780 58.255 56.400 0.124 0.000 0.801 346 E CB -0.351 29.460 29.700 0.185 0.000 0.746 346 E HN 0.679 nan 8.360 nan 0.000 0.450 347 Y N 1.418 121.632 120.300 -0.144 0.000 2.145 347 Y HA -0.210 4.340 4.550 -0.000 0.000 0.286 347 Y C 2.584 178.467 175.900 -0.027 0.000 1.145 347 Y CA 2.234 60.201 58.100 -0.222 0.000 1.148 347 Y CB -0.523 37.471 38.460 -0.777 0.000 0.981 347 Y HN 0.213 nan 8.280 nan 0.000 0.507 348 S N -0.766 114.879 115.700 -0.092 0.000 2.406 348 S HA -0.022 4.448 4.470 -0.000 0.000 0.228 348 S C 2.302 176.844 174.600 -0.097 0.000 1.020 348 S CA 0.712 58.831 58.200 -0.136 0.000 0.965 348 S CB -1.271 61.918 63.200 -0.018 0.000 0.798 348 S HN 0.532 nan 8.310 nan 0.000 0.488 349 G N 1.047 109.840 108.800 -0.011 0.000 2.421 349 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.216 349 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.216 349 G C 1.173 176.122 174.900 0.082 0.000 1.171 349 G CA 0.842 45.967 45.100 0.042 0.000 0.775 349 G HN 0.490 nan 8.290 nan 0.000 0.543 350 F N 1.179 121.109 119.950 -0.033 0.000 2.069 350 F HA -0.087 4.440 4.527 -0.000 0.000 0.298 350 F C 2.712 178.460 175.800 -0.087 0.000 1.113 350 F CA 1.660 59.650 58.000 -0.018 0.000 1.214 350 F CB -0.069 38.868 39.000 -0.105 0.000 0.978 350 F HN -0.004 nan 8.300 nan 0.000 0.474 351 M N -0.133 119.264 119.600 -0.338 0.000 2.117 351 M HA -0.169 4.311 4.480 -0.000 0.000 0.262 351 M C 2.108 178.248 176.300 -0.267 0.000 1.065 351 M CA 1.957 57.010 55.300 -0.410 0.000 1.114 351 M CB -1.885 30.428 32.600 -0.477 0.000 1.361 351 M HN 0.137 nan 8.290 nan 0.000 0.408 352 T N 0.609 115.059 114.554 -0.174 0.000 2.708 352 T HA -0.097 4.253 4.350 -0.000 0.000 0.266 352 T C 2.148 176.806 174.700 -0.070 0.000 1.037 352 T CA 1.890 63.932 62.100 -0.097 0.000 1.146 352 T CB -0.264 68.567 68.868 -0.061 0.000 0.865 352 T HN 0.347 nan 8.240 nan 0.000 0.435 353 S N 1.245 116.917 115.700 -0.046 0.000 2.370 353 S HA -0.057 4.412 4.470 -0.000 0.000 0.226 353 S C 1.935 176.582 174.600 0.078 0.000 1.033 353 S CA 0.762 58.968 58.200 0.009 0.000 1.011 353 S CB -0.524 62.728 63.200 0.087 0.000 0.852 353 S HN 0.232 nan 8.310 nan 0.000 0.457 354 L N 2.094 123.304 121.223 -0.022 0.000 1.976 354 L HA -0.085 4.255 4.340 -0.000 0.000 0.209 354 L C 2.054 178.914 176.870 -0.017 0.000 1.071 354 L CA 1.857 56.661 54.840 -0.060 0.000 0.746 354 L CB -0.664 41.062 42.059 -0.555 0.000 0.890 354 L HN -0.005 nan 8.230 nan 0.000 0.432 355 K N 0.232 120.579 120.400 -0.089 0.000 2.044 355 K HA -0.226 4.094 4.320 -0.000 0.000 0.210 355 K C 2.047 178.629 176.600 -0.030 0.000 1.049 355 K CA 1.980 58.230 56.287 -0.062 0.000 0.927 355 K CB -0.608 31.850 32.500 -0.069 0.000 0.713 355 K HN 0.544 nan 8.250 nan 0.000 0.443 356 E N -0.482 119.712 120.200 -0.010 0.000 2.085 356 E HA -0.185 4.165 4.350 -0.000 0.000 0.194 356 E C 1.889 178.506 176.600 0.028 0.000 0.994 356 E CA 1.133 57.534 56.400 0.002 0.000 0.801 356 E CB -0.256 29.444 29.700 -0.000 0.000 0.743 356 E HN 0.248 nan 8.360 nan 0.000 0.453 357 F N 1.256 121.161 119.950 -0.075 0.000 2.163 357 F HA -0.084 4.443 4.527 -0.000 0.000 0.297 357 F C 1.945 177.707 175.800 -0.063 0.000 1.094 357 F CA 1.051 59.007 58.000 -0.074 0.000 1.290 357 F CB -0.161 38.792 39.000 -0.078 0.000 1.017 357 F HN -0.104 nan 8.300 nan 0.000 0.483 358 I N 0.558 120.986 120.570 -0.236 0.000 2.423 358 I HA -0.324 3.846 4.170 -0.000 0.000 0.254 358 I C 2.484 178.460 176.117 -0.235 0.000 1.151 358 I CA 1.189 62.308 61.300 -0.301 0.000 1.421 358 I CB -0.807 37.112 38.000 -0.134 0.000 1.079 358 I HN 0.277 nan 8.210 nan 0.000 0.431 359 A N 0.062 122.787 122.820 -0.158 0.000 2.119 359 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 359 A C 0.915 178.441 177.584 -0.097 0.000 1.153 359 A CA 0.496 52.474 52.037 -0.097 0.000 0.692 359 A CB -0.487 18.479 19.000 -0.057 0.000 0.799 359 A HN 0.408 nan 8.150 nan 0.000 0.458 360 E N -0.119 119.982 120.200 -0.166 0.000 2.166 360 E HA 0.330 4.680 4.350 -0.000 0.000 0.279 360 E C 1.018 177.617 176.600 -0.001 0.000 1.095 360 E CA 0.046 56.387 56.400 -0.097 0.000 0.888 360 E CB 0.870 30.492 29.700 -0.129 0.000 1.041 360 E HN 0.340 nan 8.360 nan 0.000 0.414 361 G N 3.594 112.422 108.800 0.046 0.000 2.777 361 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.211 361 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.211 361 G C 0.385 175.352 174.900 0.112 0.000 1.149 361 G CA -0.208 44.963 45.100 0.120 0.000 0.785 361 G HN 0.593 nan 8.290 nan 0.000 0.536 362 E N 0.980 121.208 120.200 0.046 0.000 2.344 362 E HA 0.304 4.654 4.350 -0.000 0.000 0.270 362 E C -0.200 176.312 176.600 -0.146 0.000 1.021 362 E CA -0.630 55.756 56.400 -0.024 0.000 0.887 362 E CB 0.753 30.448 29.700 -0.008 0.000 0.997 362 E HN 0.049 nan 8.360 nan 0.000 0.429 363 L N 5.172 126.266 121.223 -0.215 0.000 2.453 363 L HA 0.227 4.567 4.340 -0.000 0.000 0.272 363 L C -1.409 175.341 176.870 -0.201 0.000 1.182 363 L CA -1.579 53.043 54.840 -0.363 0.000 0.858 363 L CB 0.030 41.956 42.059 -0.222 0.000 1.120 363 L HN 0.684 nan 8.230 nan 0.000 0.474 364 P HA 0.084 nan 4.420 nan 0.000 0.281 364 P C -0.974 176.314 177.300 -0.019 0.000 1.281 364 P CA -0.662 62.422 63.100 -0.026 0.000 0.811 364 P CB 0.588 32.331 31.700 0.072 0.000 1.154 365 D N 1.184 121.593 120.400 0.014 0.000 2.502 365 D HA -0.030 4.610 4.640 -0.000 0.000 0.249 365 D C -1.212 175.096 176.300 0.012 0.000 1.188 365 D CA -1.257 52.751 54.000 0.012 0.000 0.890 365 D CB 0.351 41.165 40.800 0.023 0.000 1.140 365 D HN 0.145 nan 8.370 nan 0.000 0.505 366 P HA -0.067 nan 4.420 nan 0.000 0.234 366 P C 0.920 178.229 177.300 0.014 0.000 1.167 366 P CA 0.852 63.954 63.100 0.003 0.000 0.763 366 P CB 0.152 31.850 31.700 -0.004 0.000 0.835 367 E N 0.687 120.897 120.200 0.017 0.000 2.072 367 E HA -0.121 4.229 4.350 -0.000 0.000 0.190 367 E C 1.785 178.402 176.600 0.028 0.000 0.982 367 E CA 2.043 58.455 56.400 0.020 0.000 0.803 367 E CB -1.735 27.976 29.700 0.019 0.000 0.755 367 E HN 0.468 nan 8.360 nan 0.000 0.453 368 T N -4.061 110.514 114.554 0.034 0.000 3.023 368 T HA 0.630 4.980 4.350 -0.000 0.000 0.253 368 T C 0.966 175.701 174.700 0.059 0.000 1.038 368 T CA 0.501 62.629 62.100 0.045 0.000 0.962 368 T CB 0.767 69.663 68.868 0.048 0.000 1.018 368 T HN 0.681 nan 8.240 nan 0.000 0.521 369 A N 2.914 125.765 122.820 0.052 0.000 3.204 369 A HA 0.588 4.908 4.320 -0.000 0.000 0.327 369 A C -1.673 175.929 177.584 0.030 0.000 0.998 369 A CA -1.299 50.771 52.037 0.056 0.000 0.891 369 A CB 0.730 19.773 19.000 0.071 0.000 1.061 369 A HN 0.195 nan 8.150 nan 0.000 0.478 370 P HA -0.080 nan 4.420 nan 0.000 0.229 370 P C 1.088 178.399 177.300 0.019 0.000 1.160 370 P CA 0.474 63.588 63.100 0.022 0.000 0.777 370 P CB 0.350 32.065 31.700 0.026 0.000 0.814 371 L N -0.358 120.878 121.223 0.022 0.000 2.375 371 L HA 0.219 4.559 4.340 -0.000 0.000 0.215 371 L C 2.481 179.356 176.870 0.009 0.000 1.108 371 L CA 0.825 55.678 54.840 0.021 0.000 0.830 371 L CB -1.267 40.812 42.059 0.033 0.000 0.959 371 L HN -0.130 nan 8.230 nan 0.000 0.457 372 A N -0.085 122.730 122.820 -0.008 0.000 1.903 372 A HA -0.244 4.076 4.320 -0.000 0.000 0.219 372 A C 2.279 179.864 177.584 0.001 0.000 1.191 372 A CA 2.013 54.039 52.037 -0.018 0.000 0.638 372 A CB -1.024 17.933 19.000 -0.071 0.000 0.823 372 A HN 0.463 nan 8.150 nan 0.000 0.451 373 A N -0.597 122.215 122.820 -0.012 0.000 2.238 373 A HA 0.170 4.490 4.320 -0.000 0.000 0.208 373 A C 0.650 178.242 177.584 0.012 0.000 1.177 373 A CA -0.043 51.990 52.037 -0.006 0.000 0.804 373 A CB -0.167 18.823 19.000 -0.016 0.000 0.823 373 A HN 0.543 nan 8.150 nan 0.000 0.482 374 E N 0.988 121.199 120.200 0.018 0.000 2.390 374 E HA 0.238 4.588 4.350 -0.000 0.000 0.261 374 E C -2.617 173.997 176.600 0.024 0.000 1.076 374 E CA -1.970 54.441 56.400 0.020 0.000 0.905 374 E CB -0.089 29.623 29.700 0.021 0.000 0.984 374 E HN 0.145 nan 8.360 nan 0.000 0.427 375 P HA 0.065 nan 4.420 nan 0.000 0.275 375 P C 0.517 177.810 177.300 -0.011 0.000 1.227 375 P CA -0.026 63.080 63.100 0.010 0.000 0.781 375 P CB 0.577 32.282 31.700 0.010 0.000 0.906 376 T N 1.757 116.298 114.554 -0.020 0.000 2.708 376 T HA -0.123 4.227 4.350 -0.000 0.000 0.266 376 T C 2.014 176.615 174.700 -0.166 0.000 1.037 376 T CA 2.083 64.159 62.100 -0.040 0.000 1.146 376 T CB -0.992 67.861 68.868 -0.025 0.000 0.865 376 T HN 0.626 nan 8.240 nan 0.000 0.435 377 G N 1.288 109.987 108.800 -0.168 0.000 2.476 377 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.218 377 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.218 377 G C 1.333 176.132 174.900 -0.168 0.000 1.164 377 G CA 1.449 46.434 45.100 -0.192 0.000 0.768 377 G HN 0.513 nan 8.290 nan 0.000 0.560 378 D N 0.038 120.375 120.400 -0.105 0.000 2.106 378 D HA -0.139 4.501 4.640 -0.000 0.000 0.191 378 D C 2.666 178.908 176.300 -0.097 0.000 0.997 378 D CA 1.421 55.376 54.000 -0.076 0.000 0.834 378 D CB -0.389 40.388 40.800 -0.037 0.000 0.956 378 D HN 0.166 nan 8.370 nan 0.000 0.448 379 V N 0.797 120.650 119.914 -0.101 0.000 2.343 379 V HA -0.210 3.910 4.120 -0.000 0.000 0.247 379 V C 2.617 178.571 176.094 -0.233 0.000 1.051 379 V CA 1.822 64.078 62.300 -0.075 0.000 1.036 379 V CB -1.076 30.768 31.823 0.036 0.000 0.654 379 V HN 0.355 nan 8.190 nan 0.000 0.451 380 A N 0.231 122.693 122.820 -0.596 0.000 1.865 380 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 380 A C 2.436 179.765 177.584 -0.424 0.000 1.191 380 A CA 2.466 53.802 52.037 -1.168 0.000 0.623 380 A CB -0.953 17.186 19.000 -1.435 0.000 0.826 380 A HN 0.590 nan 8.150 nan 0.000 0.444 381 A N -0.740 121.944 122.820 -0.226 0.000 1.930 381 A HA 0.078 4.398 4.320 -0.000 0.000 0.217 381 A C 2.382 179.940 177.584 -0.043 0.000 1.175 381 A CA 2.757 54.746 52.037 -0.080 0.000 0.627 381 A CB -0.891 18.078 19.000 -0.052 0.000 0.815 381 A HN 0.730 nan 8.150 nan 0.000 0.443 382 K N -0.408 119.963 120.400 -0.049 0.000 2.057 382 K HA -0.129 4.191 4.320 -0.000 0.000 0.206 382 K C 2.194 178.805 176.600 0.018 0.000 1.050 382 K CA 2.389 58.669 56.287 -0.011 0.000 0.935 382 K CB -1.876 30.621 32.500 -0.005 0.000 0.715 382 K HN 0.805 nan 8.250 nan 0.000 0.439 383 T N -0.840 113.736 114.554 0.037 0.000 2.896 383 T HA 0.028 4.378 4.350 -0.000 0.000 0.263 383 T C 2.164 176.939 174.700 0.126 0.000 1.050 383 T CA 1.204 63.370 62.100 0.109 0.000 1.140 383 T CB -0.311 68.686 68.868 0.214 0.000 0.877 383 T HN 0.360 nan 8.240 nan 0.000 0.457 384 I N 2.014 122.662 120.570 0.131 0.000 2.142 384 I HA -0.120 4.050 4.170 -0.000 0.000 0.240 384 I C 3.622 179.784 176.117 0.075 0.000 1.078 384 I CA 1.658 63.059 61.300 0.168 0.000 1.343 384 I CB -0.628 37.508 38.000 0.226 0.000 1.046 384 I HN 0.319 nan 8.210 nan 0.000 0.405 385 R N 1.286 121.808 120.500 0.036 0.000 2.096 385 R HA -0.226 4.114 4.340 -0.000 0.000 0.240 385 R C 2.440 178.717 176.300 -0.038 0.000 1.139 385 R CA 2.395 58.480 56.100 -0.025 0.000 0.952 385 R CB -1.923 28.368 30.300 -0.016 0.000 0.854 385 R HN 0.504 nan 8.270 nan 0.000 0.436 386 K N 0.235 120.632 120.400 -0.005 0.000 2.148 386 K HA 0.339 4.659 4.320 -0.000 0.000 0.204 386 K C 2.633 179.222 176.600 -0.020 0.000 1.050 386 K CA 1.681 57.963 56.287 -0.008 0.000 0.942 386 K CB -0.938 31.572 32.500 0.015 0.000 0.724 386 K HN 0.830 nan 8.250 nan 0.000 0.446 387 A N 0.453 123.275 122.820 0.004 0.000 1.897 387 A HA 0.148 4.468 4.320 -0.000 0.000 0.215 387 A C 2.370 179.930 177.584 -0.041 0.000 1.181 387 A CA 1.491 53.528 52.037 0.000 0.000 0.620 387 A CB -0.347 18.693 19.000 0.066 0.000 0.821 387 A HN 0.493 nan 8.150 nan 0.000 0.443 388 L N 0.217 121.390 121.223 -0.083 0.000 2.017 388 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 388 L C 2.788 179.598 176.870 -0.100 0.000 1.073 388 L CA 3.195 57.936 54.840 -0.164 0.000 0.745 388 L CB -0.875 40.896 42.059 -0.480 0.000 0.894 388 L HN 0.400 nan 8.230 nan 0.000 0.432 389 K N -0.011 120.329 120.400 -0.099 0.000 2.074 389 K HA -0.222 4.098 4.320 -0.000 0.000 0.209 389 K C 2.356 178.917 176.600 -0.066 0.000 1.048 389 K CA 2.678 58.928 56.287 -0.062 0.000 0.926 389 K CB -1.778 30.692 32.500 -0.050 0.000 0.713 389 K HN 0.589 nan 8.250 nan 0.000 0.444 390 K N 0.489 120.812 120.400 -0.128 0.000 2.063 390 K HA 0.031 4.351 4.320 -0.000 0.000 0.208 390 K C 2.506 178.902 176.600 -0.339 0.000 1.048 390 K CA 1.649 57.748 56.287 -0.313 0.000 0.928 390 K CB -1.168 31.134 32.500 -0.331 0.000 0.713 390 K HN 0.303 nan 8.250 nan 0.000 0.442 391 V N 1.176 121.013 119.914 -0.129 0.000 2.332 391 V HA -0.252 3.868 4.120 -0.000 0.000 0.248 391 V C 2.532 178.712 176.094 0.144 0.000 1.055 391 V CA 2.022 64.321 62.300 -0.002 0.000 1.038 391 V CB -0.417 31.456 31.823 0.084 0.000 0.651 391 V HN 0.522 nan 8.190 nan 0.000 0.450 392 L N -1.004 120.341 121.223 0.204 0.000 2.034 392 L HA -0.062 4.278 4.340 -0.000 0.000 0.203 392 L C 2.464 179.498 176.870 0.273 0.000 1.074 392 L CA 0.858 55.920 54.840 0.371 0.000 0.748 392 L CB -0.835 41.358 42.059 0.224 0.000 0.905 392 L HN 0.120 nan 8.230 nan 0.000 0.439 393 V N 0.032 120.042 119.914 0.159 0.000 2.252 393 V HA -0.433 3.687 4.120 -0.000 0.000 0.255 393 V C 2.379 178.617 176.094 0.240 0.000 1.071 393 V CA 2.373 64.781 62.300 0.179 0.000 1.050 393 V CB -1.026 30.896 31.823 0.165 0.000 0.654 393 V HN 0.510 nan 8.190 nan 0.000 0.448 394 H N -0.584 118.486 119.070 0.000 0.000 2.403 394 H HA -0.020 4.536 4.556 -0.000 0.000 0.298 394 H C 2.390 177.621 175.328 -0.162 0.000 1.059 394 H CA 0.762 56.773 56.048 -0.062 0.000 1.363 394 H CB -0.228 29.492 29.762 -0.071 0.000 1.410 394 H HN 0.532 nan 8.280 nan 0.000 0.528 395 G N 1.158 109.839 108.800 -0.199 0.000 2.422 395 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.218 395 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.218 395 G C 1.014 175.619 174.900 -0.493 0.000 1.146 395 G CA 0.016 44.587 45.100 -0.882 0.000 0.769 395 G HN 0.226 nan 8.290 nan 0.000 0.547 404 D N -0.623 119.747 120.400 -0.050 0.000 4.365 404 D HA -0.252 4.388 4.640 -0.000 0.000 0.211 404 D C 1.708 178.048 176.300 0.067 0.000 1.059 404 D CA 4.178 58.246 54.000 0.113 0.000 2.239 404 D CB -1.382 39.500 40.800 0.136 0.000 1.164 404 D HN 1.551 nan 8.370 nan 0.000 0.406 405 A N 0.252 123.089 122.820 0.028 0.000 1.969 405 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 405 A C 1.946 179.527 177.584 -0.004 0.000 1.169 405 A CA 2.220 54.281 52.037 0.039 0.000 0.635 405 A CB -0.399 18.612 19.000 0.018 0.000 0.810 405 A HN 0.534 nan 8.150 nan 0.000 0.445 406 E N -0.268 119.878 120.200 -0.091 0.000 2.072 406 E HA -0.065 4.285 4.350 -0.000 0.000 0.190 406 E C 1.865 178.305 176.600 -0.267 0.000 0.982 406 E CA 0.964 57.263 56.400 -0.168 0.000 0.803 406 E CB -0.199 29.389 29.700 -0.187 0.000 0.755 406 E HN 0.616 nan 8.360 nan 0.000 0.453 407 L N 0.022 121.028 121.223 -0.361 0.000 2.109 407 L HA -0.143 4.197 4.340 -0.000 0.000 0.207 407 L C 2.563 179.326 176.870 -0.180 0.000 1.086 407 L CA 1.096 55.642 54.840 -0.491 0.000 0.760 407 L CB -0.394 41.149 42.059 -0.861 0.000 0.910 407 L HN 0.203 nan 8.230 nan 0.000 0.437 408 H N 0.568 119.586 119.070 -0.087 0.000 2.319 408 H HA -0.195 4.361 4.556 -0.000 0.000 0.299 408 H C 2.208 177.518 175.328 -0.030 0.000 1.092 408 H CA 2.544 58.591 56.048 -0.001 0.000 1.302 408 H CB 0.025 29.809 29.762 0.037 0.000 1.373 408 H HN 0.337 nan 8.280 nan 0.000 0.497 409 E N 0.816 120.938 120.200 -0.130 0.000 2.051 409 E HA -0.108 4.242 4.350 -0.000 0.000 0.192 409 E C 2.264 178.787 176.600 -0.129 0.000 0.991 409 E CA 1.215 57.529 56.400 -0.144 0.000 0.799 409 E CB -1.085 28.598 29.700 -0.028 0.000 0.748 409 E HN 0.392 nan 8.360 nan 0.000 0.449 410 L N 0.824 121.966 121.223 -0.134 0.000 2.079 410 L HA -0.090 4.250 4.340 -0.000 0.000 0.210 410 L C 2.578 179.362 176.870 -0.142 0.000 1.081 410 L CA 2.325 57.085 54.840 -0.135 0.000 0.752 410 L CB -0.476 41.450 42.059 -0.221 0.000 0.896 410 L HN 0.425 nan 8.230 nan 0.000 0.433 411 R N -0.477 119.925 120.500 -0.163 0.000 2.096 411 R HA -0.154 4.186 4.340 -0.000 0.000 0.235 411 R C 2.256 178.469 176.300 -0.145 0.000 1.127 411 R CA 1.778 57.798 56.100 -0.134 0.000 0.968 411 R CB -0.295 29.948 30.300 -0.094 0.000 0.861 411 R HN 0.433 nan 8.270 nan 0.000 0.440 412 I N 0.930 121.391 120.570 -0.181 0.000 2.286 412 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 412 I C 1.645 177.691 176.117 -0.118 0.000 1.104 412 I CA 1.059 62.264 61.300 -0.157 0.000 1.397 412 I CB -0.375 37.514 38.000 -0.184 0.000 1.072 412 I HN 0.121 nan 8.210 nan 0.000 0.417 413 D N 0.799 121.137 120.400 -0.102 0.000 2.126 413 D HA -0.219 4.421 4.640 -0.000 0.000 0.190 413 D C 2.259 178.506 176.300 -0.089 0.000 1.001 413 D CA 1.516 55.462 54.000 -0.090 0.000 0.841 413 D CB -0.590 40.150 40.800 -0.100 0.000 0.949 413 D HN 0.366 nan 8.370 nan 0.000 0.446 414 C N 0.586 119.824 119.300 -0.104 0.000 2.440 414 C HA -0.081 4.379 4.460 -0.000 0.000 0.278 414 C C 2.925 177.824 174.990 -0.151 0.000 1.295 414 C CA 1.360 60.313 59.018 -0.107 0.000 1.738 414 C CB -1.024 26.644 27.740 -0.120 0.000 1.987 414 C HN 0.528 nan 8.230 nan 0.000 0.492 415 K N 1.152 121.419 120.400 -0.222 0.000 2.032 415 K HA -0.204 4.116 4.320 -0.000 0.000 0.209 415 K C 1.828 178.101 176.600 -0.545 0.000 1.048 415 K CA 1.906 57.921 56.287 -0.453 0.000 0.927 415 K CB -0.695 31.543 32.500 -0.438 0.000 0.712 415 K HN 0.666 nan 8.250 nan 0.000 0.441 416 K N -0.369 119.888 120.400 -0.238 0.000 2.057 416 K HA -0.055 4.265 4.320 -0.000 0.000 0.207 416 K C 2.218 178.843 176.600 0.042 0.000 1.049 416 K CA 1.275 57.539 56.287 -0.038 0.000 0.931 416 K CB -0.289 32.222 32.500 0.018 0.000 0.714 416 K HN 0.254 nan 8.250 nan 0.000 0.440 417 L N 1.548 122.782 121.223 0.018 0.000 2.017 417 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 417 L C 2.273 179.224 176.870 0.136 0.000 1.073 417 L CA 1.684 56.586 54.840 0.104 0.000 0.745 417 L CB -0.413 41.703 42.059 0.095 0.000 0.894 417 L HN 0.048 nan 8.230 nan 0.000 0.432 418 R N -1.836 118.681 120.500 0.029 0.000 2.081 418 R HA -0.199 4.141 4.340 -0.000 0.000 0.235 418 R C 2.317 178.725 176.300 0.180 0.000 1.131 418 R CA 1.690 57.824 56.100 0.057 0.000 0.960 418 R CB -0.410 29.853 30.300 -0.061 0.000 0.856 418 R HN 0.380 nan 8.270 nan 0.000 0.436 419 Y N 1.009 121.374 120.300 0.108 0.000 2.165 419 Y HA -0.216 4.334 4.550 -0.000 0.000 0.286 419 Y C 2.245 178.232 175.900 0.147 0.000 1.155 419 Y CA 0.955 59.113 58.100 0.097 0.000 1.164 419 Y CB -0.778 37.717 38.460 0.058 0.000 0.978 419 Y HN 0.058 nan 8.280 nan 0.000 0.513 420 L N -1.030 120.412 121.223 0.366 0.000 2.017 420 L HA -0.239 4.101 4.340 -0.000 0.000 0.208 420 L C 2.429 179.564 176.870 0.441 0.000 1.073 420 L CA 1.046 56.132 54.840 0.410 0.000 0.745 420 L CB -0.808 41.530 42.059 0.465 0.000 0.894 420 L HN 0.188 nan 8.230 nan 0.000 0.432 421 L N -0.428 121.026 121.223 0.385 0.000 2.012 421 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 421 L C 2.571 179.623 176.870 0.304 0.000 1.073 421 L CA 1.518 56.581 54.840 0.372 0.000 0.748 421 L CB -0.491 41.723 42.059 0.258 0.000 0.891 421 L HN 0.330 nan 8.230 nan 0.000 0.431 422 E N -0.777 119.569 120.200 0.243 0.000 2.152 422 E HA -0.205 4.145 4.350 -0.000 0.000 0.192 422 E C 1.996 178.674 176.600 0.131 0.000 0.983 422 E CA 0.839 57.344 56.400 0.176 0.000 0.818 422 E CB -0.114 29.699 29.700 0.188 0.000 0.758 422 E HN 0.345 nan 8.360 nan 0.000 0.467 423 F N 0.943 120.841 119.950 -0.086 0.000 2.102 423 F HA -0.142 4.385 4.527 -0.000 0.000 0.298 423 F C 1.507 177.099 175.800 -0.346 0.000 1.105 423 F CA 1.237 59.047 58.000 -0.316 0.000 1.239 423 F CB -0.370 38.307 39.000 -0.539 0.000 0.991 423 F HN -0.108 nan 8.300 nan 0.000 0.474 424 F N 0.499 120.300 119.950 -0.247 0.000 2.797 424 F HA 0.313 4.840 4.527 -0.000 0.000 0.302 424 F C 2.333 177.748 175.800 -0.641 0.000 1.130 424 F CA 0.361 58.029 58.000 -0.553 0.000 1.387 424 F CB -1.460 37.303 39.000 -0.395 0.000 1.107 424 F HN 0.088 nan 8.300 nan 0.000 0.577 425 A N 0.362 123.114 122.820 -0.112 0.000 1.927 425 A HA -0.294 4.026 4.320 -0.000 0.000 0.220 425 A C 2.355 179.812 177.584 -0.213 0.000 1.185 425 A CA 2.364 54.381 52.037 -0.034 0.000 0.639 425 A CB -1.236 17.802 19.000 0.064 0.000 0.820 425 A HN 0.390 nan 8.150 nan 0.000 0.451 426 S N -0.458 115.095 115.700 -0.245 0.000 2.595 426 S HA 0.117 4.587 4.470 -0.000 0.000 0.235 426 S C 1.247 175.678 174.600 -0.282 0.000 0.974 426 S CA 0.992 59.068 58.200 -0.208 0.000 0.942 426 S CB -0.496 62.603 63.200 -0.167 0.000 0.766 426 S HN 0.483 nan 8.310 nan 0.000 0.536 427 L N -0.451 120.447 121.223 -0.542 0.000 2.592 427 L HA 0.390 4.730 4.340 -0.000 0.000 0.227 427 L C -0.269 176.384 176.870 -0.361 0.000 1.127 427 L CA -0.045 54.465 54.840 -0.549 0.000 0.884 427 L CB -0.143 41.452 42.059 -0.774 0.000 1.065 427 L HN 0.240 nan 8.230 nan 0.000 0.457 428 F N -0.126 119.793 119.950 -0.052 0.000 2.594 428 F HA 0.526 5.053 4.527 0.000 0.000 0.335 428 F C -2.091 173.683 175.800 -0.044 0.000 1.058 428 F CA -3.633 54.336 58.000 -0.052 0.000 0.981 428 F CB -0.176 38.795 39.000 -0.049 0.000 1.289 428 F HN -0.270 nan 8.300 nan 0.000 0.490 429 P HA 0.185 nan 4.420 nan 0.000 0.276 429 P C -2.221 175.125 177.300 0.077 0.000 1.253 429 P CA -1.254 61.893 63.100 0.079 0.000 0.766 429 P CB 0.704 32.427 31.700 0.037 0.000 0.845 430 P HA -0.288 nan 4.420 nan 0.000 0.221 430 P C 1.393 178.707 177.300 0.023 0.000 1.153 430 P CA 2.455 65.583 63.100 0.046 0.000 0.858 430 P CB -0.459 31.257 31.700 0.027 0.000 0.783 431 K N -0.785 119.619 120.400 0.006 0.000 2.366 431 K HA 0.255 4.575 4.320 -0.000 0.000 0.198 431 K C 2.061 178.636 176.600 -0.041 0.000 1.044 431 K CA 1.414 57.693 56.287 -0.014 0.000 0.973 431 K CB -0.981 31.511 32.500 -0.014 0.000 0.767 431 K HN 0.308 nan 8.250 nan 0.000 0.475 432 A N 0.018 122.802 122.820 -0.060 0.000 2.197 432 A HA 0.157 4.477 4.320 -0.000 0.000 0.210 432 A C 2.333 179.806 177.584 -0.185 0.000 1.180 432 A CA 1.379 53.336 52.037 -0.134 0.000 0.846 432 A CB -0.118 18.782 19.000 -0.167 0.000 0.884 432 A HN 0.371 nan 8.150 nan 0.000 0.487 433 T N 0.511 115.007 114.554 -0.096 0.000 2.770 433 T HA 0.019 4.369 4.350 -0.000 0.000 0.263 433 T C 2.293 176.960 174.700 -0.055 0.000 1.039 433 T CA 1.472 63.535 62.100 -0.061 0.000 1.142 433 T CB -0.398 68.531 68.868 0.103 0.000 0.868 433 T HN 0.508 nan 8.240 nan 0.000 0.435 434 A N 1.523 124.328 122.820 -0.025 0.000 1.877 434 A HA -0.097 4.223 4.320 -0.000 0.000 0.216 434 A C 2.720 180.283 177.584 -0.035 0.000 1.186 434 A CA 2.413 54.442 52.037 -0.014 0.000 0.620 434 A CB -1.524 17.475 19.000 -0.002 0.000 0.822 434 A HN 0.573 nan 8.150 nan 0.000 0.443 435 Q N -0.864 118.899 119.800 -0.061 0.000 2.152 435 Q HA -0.124 4.216 4.340 -0.000 0.000 0.206 435 Q C 2.250 178.196 176.000 -0.090 0.000 0.985 435 Q CA 2.202 57.962 55.803 -0.071 0.000 0.863 435 Q CB -1.399 27.283 28.738 -0.092 0.000 0.904 435 Q HN 0.537 nan 8.270 nan 0.000 0.422 436 V N 0.073 119.884 119.914 -0.172 0.000 2.488 436 V HA -0.118 4.002 4.120 -0.000 0.000 0.246 436 V C 2.444 178.518 176.094 -0.034 0.000 1.046 436 V CA 1.448 63.601 62.300 -0.246 0.000 1.053 436 V CB -0.238 31.206 31.823 -0.633 0.000 0.679 436 V HN 0.627 nan 8.190 nan 0.000 0.458 437 L N -0.074 121.140 121.223 -0.016 0.000 2.179 437 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 437 L C 3.068 179.971 176.870 0.055 0.000 1.096 437 L CA 1.429 56.294 54.840 0.043 0.000 0.779 437 L CB -0.654 41.429 42.059 0.040 0.000 0.922 437 L HN 0.359 nan 8.230 nan 0.000 0.443 438 R N -0.232 120.292 120.500 0.040 0.000 2.115 438 R HA -0.197 4.143 4.340 -0.000 0.000 0.230 438 R C 1.951 178.301 176.300 0.082 0.000 1.111 438 R CA 1.625 57.753 56.100 0.047 0.000 0.976 438 R CB -1.122 29.194 30.300 0.027 0.000 0.870 438 R HN 0.276 nan 8.270 nan 0.000 0.445 439 Q N -0.369 119.500 119.800 0.115 0.000 2.224 439 Q HA 0.102 4.442 4.340 -0.000 0.000 0.203 439 Q C 1.984 178.201 176.000 0.363 0.000 0.970 439 Q CA 1.791 57.724 55.803 0.217 0.000 0.865 439 Q CB -0.044 28.821 28.738 0.212 0.000 0.922 439 Q HN 0.711 nan 8.270 nan 0.000 0.445 440 M N -1.067 118.683 119.600 0.249 0.000 2.510 440 M HA 0.036 4.516 4.480 -0.000 0.000 0.256 440 M C 1.770 178.054 176.300 -0.027 0.000 1.132 440 M CA 0.422 55.751 55.300 0.047 0.000 1.105 440 M CB 0.159 32.795 32.600 0.060 0.000 1.375 440 M HN -0.031 nan 8.290 nan 0.000 0.477 441 K N 0.647 121.070 120.400 0.038 0.000 2.097 441 K HA -0.154 4.166 4.320 -0.000 0.000 0.206 441 K C 1.905 178.515 176.600 0.016 0.000 1.049 441 K CA 1.987 58.288 56.287 0.025 0.000 0.933 441 K CB -0.023 32.500 32.500 0.038 0.000 0.717 441 K HN 0.439 nan 8.250 nan 0.000 0.442 442 T N -0.957 113.611 114.554 0.025 0.000 3.009 442 T HA -0.071 4.279 4.350 -0.000 0.000 0.258 442 T C 1.863 176.577 174.700 0.023 0.000 1.063 442 T CA 0.223 62.342 62.100 0.031 0.000 1.139 442 T CB -0.132 68.762 68.868 0.044 0.000 0.890 442 T HN 0.048 nan 8.240 nan 0.000 0.471 443 L N 1.388 122.598 121.223 -0.020 0.000 2.042 443 L HA 0.012 4.352 4.340 -0.000 0.000 0.210 443 L C 2.622 179.477 176.870 -0.024 0.000 1.076 443 L CA 1.759 56.576 54.840 -0.038 0.000 0.749 443 L CB -1.018 40.895 42.059 -0.243 0.000 0.893 443 L HN 0.335 nan 8.230 nan 0.000 0.432 444 Q N -1.201 118.569 119.800 -0.051 0.000 2.137 444 Q HA -0.157 4.183 4.340 -0.000 0.000 0.198 444 Q C 1.748 177.749 176.000 0.002 0.000 0.960 444 Q CA 1.316 57.097 55.803 -0.035 0.000 0.847 444 Q CB 0.003 28.716 28.738 -0.041 0.000 0.915 444 Q HN 0.527 nan 8.270 nan 0.000 0.448 445 D N 0.495 120.905 120.400 0.016 0.000 2.117 445 D HA -0.156 4.484 4.640 -0.000 0.000 0.197 445 D C 1.504 177.836 176.300 0.053 0.000 0.987 445 D CA 0.752 54.772 54.000 0.033 0.000 0.829 445 D CB -0.368 40.452 40.800 0.034 0.000 0.961 445 D HN 0.237 nan 8.370 nan 0.000 0.460 446 N N 0.515 119.254 118.700 0.065 0.000 2.025 446 N HA -0.136 4.604 4.740 -0.000 0.000 0.194 446 N C 2.083 177.650 175.510 0.095 0.000 1.044 446 N CA 0.933 54.040 53.050 0.095 0.000 0.851 446 N CB -0.140 38.429 38.487 0.137 0.000 1.036 446 N HN 0.115 nan 8.380 nan 0.000 0.422 447 L N 0.446 121.699 121.223 0.050 0.000 2.017 447 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 447 L C 2.718 179.641 176.870 0.088 0.000 1.073 447 L CA 1.486 56.338 54.840 0.019 0.000 0.745 447 L CB -0.906 41.122 42.059 -0.052 0.000 0.894 447 L HN 0.287 nan 8.230 nan 0.000 0.432 448 G N -0.198 108.636 108.800 0.057 0.000 2.418 448 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.217 448 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.217 448 G C 1.701 176.644 174.900 0.072 0.000 1.158 448 G CA 1.421 46.554 45.100 0.055 0.000 0.771 448 G HN 0.464 nan 8.290 nan 0.000 0.545 449 T N -1.146 113.456 114.554 0.081 0.000 2.777 449 T HA -0.091 4.259 4.350 -0.000 0.000 0.266 449 T C 2.138 176.890 174.700 0.087 0.000 1.040 449 T CA 1.181 63.324 62.100 0.073 0.000 1.141 449 T CB -0.470 68.443 68.868 0.074 0.000 0.868 449 T HN 0.159 nan 8.240 nan 0.000 0.444 450 F N 2.149 122.095 119.950 -0.006 0.000 2.126 450 F HA -0.082 4.445 4.527 -0.000 0.000 0.299 450 F C 2.257 178.056 175.800 -0.002 0.000 1.096 450 F CA 1.110 59.099 58.000 -0.018 0.000 1.255 450 F CB -0.427 38.543 39.000 -0.051 0.000 0.997 450 F HN -0.012 nan 8.300 nan 0.000 0.479 451 V N 0.236 120.232 119.914 0.136 0.000 2.379 451 V HA -0.271 3.849 4.120 -0.000 0.000 0.245 451 V C 2.043 178.132 176.094 -0.008 0.000 1.044 451 V CA 2.123 64.465 62.300 0.070 0.000 1.036 451 V CB -0.733 31.198 31.823 0.180 0.000 0.664 451 V HN 0.387 nan 8.190 nan 0.000 0.453 452 D N 0.139 120.546 120.400 0.011 0.000 2.117 452 D HA -0.180 4.460 4.640 -0.000 0.000 0.197 452 D C 2.020 178.319 176.300 -0.002 0.000 0.987 452 D CA 1.482 55.487 54.000 0.008 0.000 0.829 452 D CB -0.167 40.636 40.800 0.005 0.000 0.961 452 D HN 0.381 nan 8.370 nan 0.000 0.460 453 L N -0.167 121.028 121.223 -0.047 0.000 2.046 453 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 453 L C 2.566 179.383 176.870 -0.088 0.000 1.077 453 L CA 1.460 56.267 54.840 -0.055 0.000 0.747 453 L CB -0.696 41.303 42.059 -0.101 0.000 0.896 453 L HN 0.116 nan 8.230 nan 0.000 0.432 454 T N -0.656 113.776 114.554 -0.204 0.000 2.684 454 T HA -0.181 4.169 4.350 -0.000 0.000 0.267 454 T C 1.990 176.673 174.700 -0.029 0.000 1.036 454 T CA 1.476 63.473 62.100 -0.172 0.000 1.148 454 T CB -0.318 68.397 68.868 -0.255 0.000 0.863 454 T HN 0.058 nan 8.240 nan 0.000 0.436 455 V N 1.554 121.477 119.914 0.014 0.000 2.261 455 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 455 V C 2.697 178.906 176.094 0.191 0.000 1.047 455 V CA 1.752 64.109 62.300 0.095 0.000 1.015 455 V CB -0.763 31.116 31.823 0.094 0.000 0.642 455 V HN 0.505 nan 8.190 nan 0.000 0.446 456 Q N -0.892 119.034 119.800 0.210 0.000 2.077 456 Q HA -0.272 4.068 4.340 -0.000 0.000 0.206 456 Q C 2.286 178.434 176.000 0.247 0.000 0.989 456 Q CA 2.090 58.095 55.803 0.337 0.000 0.853 456 Q CB -0.283 28.646 28.738 0.319 0.000 0.907 456 Q HN 0.578 nan 8.270 nan 0.000 0.418 457 M N 0.033 119.712 119.600 0.131 0.000 2.159 457 M HA -0.188 4.292 4.480 -0.000 0.000 0.263 457 M C 1.873 178.211 176.300 0.064 0.000 1.063 457 M CA 1.408 56.752 55.300 0.072 0.000 1.110 457 M CB -0.157 32.470 32.600 0.046 0.000 1.374 457 M HN 0.199 nan 8.290 nan 0.000 0.411 458 E N -0.239 120.011 120.200 0.082 0.000 2.077 458 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 458 E C 1.774 178.419 176.600 0.075 0.000 0.989 458 E CA 1.249 57.685 56.400 0.060 0.000 0.800 458 E CB -0.147 29.589 29.700 0.060 0.000 0.746 458 E HN 0.400 nan 8.360 nan 0.000 0.452 459 F N 1.257 121.204 119.950 -0.005 0.000 2.075 459 F HA -0.199 4.328 4.527 -0.000 0.000 0.297 459 F C 2.020 177.765 175.800 -0.092 0.000 1.113 459 F CA 1.352 59.314 58.000 -0.064 0.000 1.218 459 F CB -0.126 38.785 39.000 -0.147 0.000 0.984 459 F HN -0.079 nan 8.300 nan 0.000 0.472 460 L N -0.065 121.235 121.223 0.130 0.000 2.083 460 L HA -0.238 4.102 4.340 -0.000 0.000 0.209 460 L C 2.515 179.316 176.870 -0.115 0.000 1.083 460 L CA 1.413 56.244 54.840 -0.016 0.000 0.752 460 L CB -0.823 41.203 42.059 -0.057 0.000 0.899 460 L HN 0.238 nan 8.230 nan 0.000 0.433 461 Q N 0.651 120.400 119.800 -0.084 0.000 2.029 461 Q HA -0.270 4.070 4.340 -0.000 0.000 0.209 461 Q C 2.349 178.267 176.000 -0.136 0.000 0.999 461 Q CA 2.941 58.685 55.803 -0.099 0.000 0.857 461 Q CB -0.584 28.113 28.738 -0.069 0.000 0.926 461 Q HN 0.568 nan 8.270 nan 0.000 0.415 462 S N -0.802 114.790 115.700 -0.180 0.000 2.368 462 S HA -0.153 4.317 4.470 -0.000 0.000 0.225 462 S C 2.003 176.463 174.600 -0.232 0.000 1.030 462 S CA 1.114 59.188 58.200 -0.210 0.000 0.999 462 S CB -0.438 62.607 63.200 -0.259 0.000 0.844 462 S HN 0.365 nan 8.310 nan 0.000 0.459 463 R N 0.942 121.262 120.500 -0.300 0.000 2.249 463 R HA 0.220 4.560 4.340 -0.000 0.000 0.230 463 R C 2.049 178.275 176.300 -0.123 0.000 1.121 463 R CA 0.880 56.852 56.100 -0.212 0.000 0.997 463 R CB -0.877 29.349 30.300 -0.122 0.000 0.867 463 R HN 0.547 nan 8.270 nan 0.000 0.465 464 L N -0.528 120.617 121.223 -0.131 0.000 2.072 464 L HA -0.096 4.244 4.340 -0.000 0.000 0.205 464 L C 2.564 179.382 176.870 -0.086 0.000 1.079 464 L CA 1.721 56.497 54.840 -0.107 0.000 0.752 464 L CB -0.547 41.447 42.059 -0.110 0.000 0.906 464 L HN 0.411 nan 8.230 nan 0.000 0.436 465 E N 0.032 120.178 120.200 -0.090 0.000 2.401 465 E HA -0.021 4.329 4.350 -0.000 0.000 0.199 465 E C 1.002 177.564 176.600 -0.064 0.000 1.023 465 E CA 1.361 57.717 56.400 -0.073 0.000 0.859 465 E CB -1.208 28.447 29.700 -0.075 0.000 0.780 465 E HN 0.636 nan 8.360 nan 0.000 0.523 475 S N 0.303 115.988 115.700 -0.025 0.000 2.354 475 S HA -0.252 4.218 4.470 -0.000 0.000 0.219 475 S C 1.842 176.418 174.600 -0.040 0.000 1.035 475 S CA 2.011 60.197 58.200 -0.025 0.000 1.037 475 S CB -0.448 62.746 63.200 -0.010 0.000 0.956 475 S HN 0.825 nan 8.310 nan 0.000 0.428 476 E N 1.103 121.280 120.200 -0.037 0.000 2.136 476 E HA -0.271 4.079 4.350 -0.000 0.000 0.202 476 E C 2.077 178.615 176.600 -0.103 0.000 1.019 476 E CA 1.272 57.635 56.400 -0.062 0.000 0.819 476 E CB -0.273 29.407 29.700 -0.033 0.000 0.739 476 E HN 0.487 nan 8.360 nan 0.000 0.458 477 A N 0.805 123.575 122.820 -0.083 0.000 1.933 477 A HA -0.080 4.240 4.320 -0.000 0.000 0.218 477 A C 2.337 179.861 177.584 -0.100 0.000 1.175 477 A CA 1.776 53.756 52.037 -0.094 0.000 0.628 477 A CB -0.622 18.335 19.000 -0.072 0.000 0.814 477 A HN 0.427 nan 8.150 nan 0.000 0.444 478 A N -0.050 122.721 122.820 -0.081 0.000 1.873 478 A HA 0.201 4.521 4.320 -0.000 0.000 0.215 478 A C 2.534 180.061 177.584 -0.095 0.000 1.186 478 A CA 2.003 53.995 52.037 -0.076 0.000 0.616 478 A CB -1.138 17.830 19.000 -0.053 0.000 0.823 478 A HN 1.054 nan 8.150 nan 0.000 0.442 479 A N 0.135 122.892 122.820 -0.104 0.000 1.873 479 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 479 A C 2.127 179.584 177.584 -0.211 0.000 1.193 479 A CA 1.866 53.823 52.037 -0.134 0.000 0.629 479 A CB -0.755 18.169 19.000 -0.127 0.000 0.826 479 A HN 0.507 nan 8.150 nan 0.000 0.447 480 I N -0.364 120.045 120.570 -0.269 0.000 2.315 480 I HA -0.166 4.004 4.170 -0.000 0.000 0.248 480 I C 2.677 178.656 176.117 -0.230 0.000 1.117 480 I CA 1.048 62.149 61.300 -0.332 0.000 1.404 480 I CB -0.574 37.210 38.000 -0.360 0.000 1.071 480 I HN 0.395 nan 8.210 nan 0.000 0.419 481 G N 0.539 109.238 108.800 -0.169 0.000 2.442 481 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.219 481 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.219 481 G C 1.695 176.525 174.900 -0.117 0.000 1.141 481 G CA 0.868 45.891 45.100 -0.129 0.000 0.763 481 G HN 0.497 nan 8.290 nan 0.000 0.554 482 G N 1.260 109.988 108.800 -0.120 0.000 2.552 482 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.216 482 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.216 482 G C 1.796 176.626 174.900 -0.116 0.000 1.240 482 G CA 0.992 46.032 45.100 -0.100 0.000 0.796 482 G HN 0.414 nan 8.290 nan 0.000 0.568 483 L N -0.011 121.099 121.223 -0.189 0.000 2.013 483 L HA -0.094 4.246 4.340 -0.000 0.000 0.212 483 L C 2.970 179.737 176.870 -0.173 0.000 1.073 483 L CA 0.687 55.379 54.840 -0.248 0.000 0.753 483 L CB -0.613 41.150 42.059 -0.493 0.000 0.890 483 L HN 0.164 nan 8.230 nan 0.000 0.432 484 L N -0.671 120.456 121.223 -0.159 0.000 2.043 484 L HA -0.260 4.080 4.340 -0.000 0.000 0.212 484 L C 2.670 179.527 176.870 -0.022 0.000 1.075 484 L CA 1.765 56.553 54.840 -0.087 0.000 0.752 484 L CB -0.564 41.433 42.059 -0.104 0.000 0.891 484 L HN 0.315 nan 8.230 nan 0.000 0.432 485 T N -1.742 112.791 114.554 -0.037 0.000 2.737 485 T HA -0.161 4.189 4.350 -0.000 0.000 0.265 485 T C 1.805 176.538 174.700 0.056 0.000 1.038 485 T CA 1.784 63.888 62.100 0.006 0.000 1.144 485 T CB -0.190 68.663 68.868 -0.025 0.000 0.866 485 T HN 0.352 nan 8.240 nan 0.000 0.434 486 T N 2.513 117.077 114.554 0.016 0.000 2.788 486 T HA 0.032 4.382 4.350 -0.000 0.000 0.268 486 T C 1.891 176.618 174.700 0.045 0.000 1.044 486 T CA 0.909 63.025 62.100 0.028 0.000 1.139 486 T CB -0.347 68.524 68.868 0.006 0.000 0.867 486 T HN 0.285 nan 8.240 nan 0.000 0.454 487 L N -0.840 120.407 121.223 0.041 0.000 2.209 487 L HA 0.073 4.413 4.340 -0.000 0.000 0.207 487 L C 2.314 179.215 176.870 0.052 0.000 1.094 487 L CA 0.979 55.846 54.840 0.045 0.000 0.790 487 L CB -0.574 41.510 42.059 0.040 0.000 0.932 487 L HN 0.215 nan 8.230 nan 0.000 0.447 488 Y N 1.446 121.727 120.300 -0.032 0.000 2.224 488 Y HA -0.302 4.248 4.550 -0.000 0.000 0.289 488 Y C 2.881 178.778 175.900 -0.004 0.000 1.146 488 Y CA 2.198 60.280 58.100 -0.029 0.000 1.182 488 Y CB -0.350 38.092 38.460 -0.030 0.000 0.983 488 Y HN 0.060 nan 8.280 nan 0.000 0.524 489 R N 0.954 121.517 120.500 0.104 0.000 2.096 489 R HA -0.185 4.155 4.340 -0.000 0.000 0.229 489 R C 2.162 178.447 176.300 -0.025 0.000 1.134 489 R CA 2.231 58.359 56.100 0.046 0.000 0.917 489 R CB -1.418 28.928 30.300 0.076 0.000 0.832 489 R HN 0.523 nan 8.270 nan 0.000 0.430 490 K N -0.214 120.187 120.400 0.001 0.000 2.089 490 K HA -0.217 4.103 4.320 -0.000 0.000 0.210 490 K C 2.483 179.073 176.600 -0.017 0.000 1.048 490 K CA 1.869 58.158 56.287 0.004 0.000 0.926 490 K CB -0.221 32.292 32.500 0.023 0.000 0.714 490 K HN 0.424 nan 8.250 nan 0.000 0.448 491 R N 0.992 121.443 120.500 -0.082 0.000 2.120 491 R HA -0.135 4.205 4.340 -0.000 0.000 0.234 491 R C 1.677 177.961 176.300 -0.027 0.000 1.123 491 R CA 1.216 57.255 56.100 -0.102 0.000 0.975 491 R CB 0.149 30.277 30.300 -0.286 0.000 0.866 491 R HN 0.133 nan 8.270 nan 0.000 0.446 492 E N 0.426 120.540 120.200 -0.144 0.000 2.107 492 E HA -0.133 4.217 4.350 -0.000 0.000 0.191 492 E C 2.207 178.816 176.600 0.014 0.000 0.982 492 E CA 1.619 57.968 56.400 -0.085 0.000 0.809 492 E CB -0.125 29.475 29.700 -0.166 0.000 0.756 492 E HN 0.470 nan 8.360 nan 0.000 0.459 493 K N 1.176 121.587 120.400 0.018 0.000 2.001 493 K HA -0.064 4.256 4.320 -0.000 0.000 0.208 493 K C 2.426 179.070 176.600 0.073 0.000 1.048 493 K CA 1.393 57.707 56.287 0.044 0.000 0.932 493 K CB -1.348 31.175 32.500 0.038 0.000 0.715 493 K HN 0.021 nan 8.250 nan 0.000 0.437 494 V N 1.272 121.243 119.914 0.093 0.000 2.250 494 V HA -0.361 3.759 4.120 -0.000 0.000 0.250 494 V C 2.680 178.857 176.094 0.138 0.000 1.060 494 V CA 2.587 64.968 62.300 0.134 0.000 1.030 494 V CB -0.598 31.339 31.823 0.190 0.000 0.643 494 V HN 0.684 nan 8.190 nan 0.000 0.445 495 R N 0.132 120.725 120.500 0.156 0.000 2.094 495 R HA -0.250 4.090 4.340 -0.000 0.000 0.239 495 R C 2.454 178.803 176.300 0.081 0.000 1.137 495 R CA 2.514 58.639 56.100 0.042 0.000 0.943 495 R CB -0.517 29.825 30.300 0.071 0.000 0.850 495 R HN 0.662 nan 8.270 nan 0.000 0.433 496 E N -0.648 119.607 120.200 0.092 0.000 2.209 496 E HA -0.221 4.129 4.350 -0.000 0.000 0.196 496 E C 1.749 178.421 176.600 0.120 0.000 0.993 496 E CA 1.990 58.452 56.400 0.103 0.000 0.819 496 E CB -1.423 28.322 29.700 0.075 0.000 0.745 496 E HN 0.924 nan 8.360 nan 0.000 0.477 497 H N -1.880 117.258 119.070 0.113 0.000 2.539 497 H HA 0.515 5.071 4.556 -0.000 0.000 0.267 497 H C 1.686 177.084 175.328 0.115 0.000 0.982 497 H CA 0.787 56.895 56.048 0.100 0.000 1.146 497 H CB -0.541 29.270 29.762 0.082 0.000 1.382 497 H HN 0.544 nan 8.280 nan 0.000 0.577 498 F N 0.640 120.583 119.950 -0.011 0.000 2.113 498 F HA -0.089 4.438 4.527 -0.000 0.000 0.297 498 F C 2.391 178.181 175.800 -0.016 0.000 1.103 498 F CA 1.886 59.845 58.000 -0.069 0.000 1.248 498 F CB -0.490 38.381 39.000 -0.215 0.000 0.999 498 F HN 0.447 nan 8.300 nan 0.000 0.475 499 H N 0.502 119.414 119.070 -0.263 0.000 2.387 499 H HA -0.096 4.460 4.556 -0.000 0.000 0.299 499 H C 2.445 177.640 175.328 -0.221 0.000 1.099 499 H CA 2.004 57.851 56.048 -0.335 0.000 1.315 499 H CB -0.710 29.012 29.762 -0.066 0.000 1.380 499 H HN 0.561 nan 8.280 nan 0.000 0.513 500 E N 1.546 121.744 120.200 -0.002 0.000 2.033 500 E HA -0.159 4.191 4.350 -0.000 0.000 0.199 500 E C 2.364 178.932 176.600 -0.054 0.000 1.011 500 E CA 1.457 57.849 56.400 -0.012 0.000 0.815 500 E CB -0.836 28.870 29.700 0.010 0.000 0.755 500 E HN 0.475 nan 8.360 nan 0.000 0.451 501 I N -0.939 119.584 120.570 -0.077 0.000 2.179 501 I HA -0.135 4.035 4.170 -0.000 0.000 0.242 501 I C 2.567 178.657 176.117 -0.045 0.000 1.088 501 I CA 1.724 62.997 61.300 -0.045 0.000 1.357 501 I CB -0.163 37.834 38.000 -0.003 0.000 1.051 501 I HN 0.415 nan 8.210 nan 0.000 0.409 502 F N 1.014 120.748 119.950 -0.360 0.000 2.234 502 F HA -0.186 4.341 4.527 -0.000 0.000 0.299 502 F C 2.586 178.346 175.800 -0.067 0.000 1.087 502 F CA 1.443 59.293 58.000 -0.250 0.000 1.340 502 F CB -0.321 38.335 39.000 -0.573 0.000 1.031 502 F HN -0.112 nan 8.300 nan 0.000 0.500 503 S N 0.004 115.571 115.700 -0.221 0.000 2.399 503 S HA -0.073 4.397 4.470 -0.000 0.000 0.231 503 S C 2.217 176.690 174.600 -0.212 0.000 1.022 503 S CA 1.062 59.127 58.200 -0.225 0.000 0.983 503 S CB -0.895 62.267 63.200 -0.064 0.000 0.803 503 S HN 0.611 nan 8.310 nan 0.000 0.480 504 G N -0.232 108.489 108.800 -0.130 0.000 2.408 504 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.215 504 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.215 504 G C 1.184 176.038 174.900 -0.078 0.000 1.156 504 G CA 0.162 45.214 45.100 -0.080 0.000 0.793 504 G HN 0.524 nan 8.290 nan 0.000 0.535 505 F N 1.594 121.410 119.950 -0.223 0.000 2.206 505 F HA 0.102 4.629 4.527 -0.000 0.000 0.298 505 F C 0.973 176.595 175.800 -0.297 0.000 1.090 505 F CA 0.773 58.655 58.000 -0.198 0.000 1.323 505 F CB 0.120 39.045 39.000 -0.124 0.000 1.028 505 F HN 0.063 nan 8.300 nan 0.000 0.492 506 D N 1.436 121.526 120.400 -0.517 0.000 2.671 506 D HA 0.107 4.747 4.640 -0.000 0.000 0.228 506 D C -0.552 175.534 176.300 -0.356 0.000 1.102 506 D CA 0.172 53.834 54.000 -0.562 0.000 1.044 506 D CB -0.432 39.870 40.800 -0.830 0.000 1.113 506 D HN 0.267 nan 8.370 nan 0.000 0.480 507 S N 0.648 116.146 115.700 -0.337 0.000 2.667 507 S HA 0.379 4.849 4.470 -0.000 0.000 0.292 507 S C 1.048 175.532 174.600 -0.193 0.000 1.126 507 S CA -0.936 57.129 58.200 -0.224 0.000 0.881 507 S CB 1.470 64.554 63.200 -0.194 0.000 1.132 507 S HN 0.130 nan 8.310 nan 0.000 0.492 508 N N 0.847 119.468 118.700 -0.133 0.000 2.244 508 N HA -0.088 4.652 4.740 -0.000 0.000 0.183 508 N C 2.078 177.530 175.510 -0.097 0.000 1.016 508 N CA 1.476 54.464 53.050 -0.103 0.000 0.866 508 N CB -0.483 37.959 38.487 -0.075 0.000 0.980 508 N HN 0.900 nan 8.380 nan 0.000 0.430 509 E N 1.008 121.147 120.200 -0.101 0.000 2.051 509 E HA -0.144 4.206 4.350 -0.000 0.000 0.192 509 E C 2.046 178.593 176.600 -0.088 0.000 0.991 509 E CA 1.698 58.048 56.400 -0.084 0.000 0.799 509 E CB -1.422 28.231 29.700 -0.077 0.000 0.748 509 E HN 0.292 nan 8.360 nan 0.000 0.449 510 T N -0.003 114.460 114.554 -0.152 0.000 2.635 510 T HA -0.091 4.259 4.350 -0.000 0.000 0.267 510 T C 2.184 176.875 174.700 -0.015 0.000 1.040 510 T CA 1.762 63.762 62.100 -0.168 0.000 1.156 510 T CB -0.731 67.816 68.868 -0.536 0.000 0.863 510 T HN 0.580 nan 8.240 nan 0.000 0.430 511 G N 0.690 109.434 108.800 -0.093 0.000 2.470 511 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.220 511 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.220 511 G C 1.424 176.335 174.900 0.018 0.000 1.121 511 G CA 1.285 46.355 45.100 -0.049 0.000 0.766 511 G HN 0.596 nan 8.290 nan 0.000 0.553 512 E N 0.458 120.656 120.200 -0.004 0.000 2.076 512 E HA 0.034 4.384 4.350 -0.000 0.000 0.190 512 E C 2.304 178.899 176.600 -0.009 0.000 0.979 512 E CA 0.392 56.786 56.400 -0.011 0.000 0.807 512 E CB -0.528 29.153 29.700 -0.032 0.000 0.761 512 E HN 0.344 nan 8.360 nan 0.000 0.454 513 L N -0.287 120.929 121.223 -0.011 0.000 2.079 513 L HA -0.112 4.228 4.340 -0.000 0.000 0.210 513 L C 2.142 178.906 176.870 -0.178 0.000 1.081 513 L CA 1.190 55.976 54.840 -0.090 0.000 0.752 513 L CB -0.388 41.606 42.059 -0.108 0.000 0.896 513 L HN 0.166 nan 8.230 nan 0.000 0.433 514 F N -0.160 119.719 119.950 -0.118 0.000 2.206 514 F HA -0.174 4.353 4.527 -0.000 0.000 0.298 514 F C 2.284 178.005 175.800 -0.132 0.000 1.090 514 F CA 1.023 58.945 58.000 -0.130 0.000 1.323 514 F CB -0.306 38.633 39.000 -0.101 0.000 1.028 514 F HN 0.098 nan 8.300 nan 0.000 0.492 515 D N 0.230 120.667 120.400 0.061 0.000 2.104 515 D HA -0.211 4.429 4.640 -0.000 0.000 0.194 515 D C 2.052 178.323 176.300 -0.047 0.000 0.994 515 D CA 1.353 55.352 54.000 -0.000 0.000 0.830 515 D CB -0.442 40.354 40.800 -0.006 0.000 0.959 515 D HN 0.352 nan 8.370 nan 0.000 0.452 516 E N -0.318 119.838 120.200 -0.074 0.000 2.106 516 E HA -0.132 4.218 4.350 -0.000 0.000 0.192 516 E C 2.097 178.610 176.600 -0.145 0.000 0.984 516 E CA 0.237 56.580 56.400 -0.094 0.000 0.806 516 E CB -0.019 29.624 29.700 -0.096 0.000 0.750 516 E HN 0.071 nan 8.360 nan 0.000 0.458 517 L N 0.285 121.362 121.223 -0.243 0.000 2.027 517 L HA -0.113 4.227 4.340 -0.000 0.000 0.206 517 L C 1.824 178.467 176.870 -0.379 0.000 1.074 517 L CA 1.571 56.153 54.840 -0.430 0.000 0.745 517 L CB -0.017 41.639 42.059 -0.670 0.000 0.898 517 L HN 0.149 nan 8.230 nan 0.000 0.433 518 L N -1.177 119.912 121.223 -0.225 0.000 2.592 518 L HA 0.086 4.426 4.340 -0.000 0.000 0.227 518 L C 0.906 177.756 176.870 -0.032 0.000 1.127 518 L CA -0.094 54.684 54.840 -0.103 0.000 0.884 518 L CB -0.466 41.564 42.059 -0.048 0.000 1.065 518 L HN 0.179 nan 8.230 nan 0.000 0.457 519 T N -0.290 114.240 114.554 -0.040 0.000 2.902 519 T HA 0.287 4.636 4.350 -0.000 0.000 0.301 519 T C 1.286 175.984 174.700 -0.004 0.000 1.012 519 T CA 1.055 63.143 62.100 -0.020 0.000 1.151 519 T CB 0.752 69.605 68.868 -0.024 0.000 0.946 519 T HN 0.614 nan 8.240 nan 0.000 0.542 520 G N 3.529 112.328 108.800 -0.003 0.000 2.225 520 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.254 520 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.254 520 G C 0.240 175.139 174.900 -0.001 0.000 0.988 520 G CA 0.348 45.449 45.100 0.001 0.000 0.625 520 G HN 0.756 nan 8.290 nan 0.000 0.527 521 L N 0.000 121.222 121.223 -0.001 0.000 2.949 521 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 521 L CA 0.000 54.829 54.840 -0.019 0.000 0.813 521 L CB 0.000 42.054 42.059 -0.008 0.000 0.961 521 L HN 0.000 nan 8.230 nan 0.000 0.502