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 1wrb_1_A DATA FIRST_RESID 164 DATA SEQUENCE KYDSIPVSVT GPDYSATNVI ENFDELKLDP TIRNNILLAS YQRPTPIQKN DATA SEQUENCE AIPAILEHRD IMACAQTGSG KTAAFLIPII NHLVCQDLXX XXXXKTAYPK DATA SEQUENCE CLILAPTREL AIQILSESQK FSLNTPLRSC VVYGGADTHS QIREVQMGCH DATA SEQUENCE LLVATPGRLV DFIEKNKISL EFCKYIVLDE ADRMLDMGFE PQIRKIIEES DATA SEQUENCE NMPSGINRQT LMFSATFPKE IQKLAADFLY NYIFMTVG 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 164 K HA 0.000 nan 4.320 nan 0.000 0.191 164 K C 0.000 176.110 176.600 -0.817 0.000 0.988 164 K CA 0.000 55.867 56.287 -0.699 0.000 0.838 164 K CB 0.000 31.831 32.500 -1.116 0.000 1.064 165 Y N 2.465 122.766 120.300 0.002 0.000 2.333 165 Y HA 0.351 4.901 4.550 -0.000 0.000 0.324 165 Y C -0.876 175.027 175.900 0.004 0.000 1.033 165 Y CA -1.247 56.855 58.100 0.003 0.000 1.224 165 Y CB 1.294 39.756 38.460 0.003 0.000 1.120 165 Y HN 0.001 nan 8.280 nan 0.000 0.457 166 D N 0.323 120.790 120.400 0.111 0.000 2.626 166 D HA 0.456 5.096 4.640 -0.000 0.000 0.278 166 D C -1.202 175.132 176.300 0.056 0.000 1.211 166 D CA -0.958 53.083 54.000 0.069 0.000 0.903 166 D CB 1.995 42.814 40.800 0.033 0.000 1.408 166 D HN 0.271 nan 8.370 nan 0.000 0.454 167 S N -0.113 115.612 115.700 0.043 0.000 2.489 167 S HA 0.499 4.969 4.470 -0.000 0.000 0.291 167 S C 0.227 174.843 174.600 0.027 0.000 1.151 167 S CA -0.719 57.502 58.200 0.035 0.000 1.082 167 S CB 0.885 64.105 63.200 0.033 0.000 1.019 167 S HN 0.283 nan 8.310 nan 0.000 0.492 168 I N 3.808 124.392 120.570 0.024 0.000 2.331 168 I HA 0.311 4.481 4.170 -0.000 0.000 0.292 168 I C -2.197 173.932 176.117 0.020 0.000 0.998 168 I CA -2.055 59.257 61.300 0.020 0.000 1.267 168 I CB 1.114 39.125 38.000 0.018 0.000 1.386 168 I HN 0.370 nan 8.210 nan 0.000 0.476 169 P HA 0.301 nan 4.420 nan 0.000 0.292 169 P C -0.924 176.387 177.300 0.017 0.000 1.326 169 P CA -0.334 62.777 63.100 0.018 0.000 0.787 169 P CB 1.096 32.806 31.700 0.017 0.000 0.903 170 V N 3.207 123.132 119.914 0.018 0.000 2.311 170 V HA 0.170 4.290 4.120 -0.000 0.000 0.275 170 V C 0.284 176.387 176.094 0.014 0.000 1.022 170 V CA -0.574 61.736 62.300 0.017 0.000 0.830 170 V CB 1.001 32.835 31.823 0.019 0.000 1.012 170 V HN 0.592 nan 8.190 nan 0.000 0.452 171 S N 4.507 120.215 115.700 0.013 0.000 2.549 171 S HA 0.492 4.962 4.470 -0.000 0.000 0.286 171 S C -0.196 174.404 174.600 0.001 0.000 1.314 171 S CA -0.494 57.711 58.200 0.009 0.000 1.062 171 S CB 1.138 64.345 63.200 0.013 0.000 0.865 171 S HN 0.489 nan 8.310 nan 0.000 0.498 172 V N 2.056 121.968 119.914 -0.004 0.000 2.888 172 V HA 0.790 4.910 4.120 -0.000 0.000 0.309 172 V C -0.433 175.648 176.094 -0.021 0.000 1.114 172 V CA -0.764 61.525 62.300 -0.019 0.000 0.940 172 V CB 2.404 34.221 31.823 -0.011 0.000 1.021 172 V HN 1.137 nan 8.190 nan 0.000 0.426 173 T N -0.574 113.952 114.554 -0.047 0.000 3.335 173 T HA 0.624 4.974 4.350 -0.000 0.000 0.321 173 T C -0.151 174.505 174.700 -0.074 0.000 0.960 173 T CA 0.059 62.138 62.100 -0.034 0.000 1.034 173 T CB 1.286 70.151 68.868 -0.005 0.000 1.040 173 T HN 1.187 nan 8.240 nan 0.000 0.454 174 G N 3.954 112.730 108.800 -0.040 0.000 4.904 174 G HA2 0.613 4.573 3.960 -0.000 0.000 0.265 174 G HA3 0.613 4.573 3.960 -0.000 0.000 0.265 174 G C -2.776 172.132 174.900 0.013 0.000 1.227 174 G CA -1.064 44.009 45.100 -0.045 0.000 0.926 174 G HN 0.705 nan 8.290 nan 0.000 0.581 175 P HA 0.701 nan 4.420 nan 0.000 0.294 175 P C -1.057 176.278 177.300 0.059 0.000 1.323 175 P CA -0.418 62.707 63.100 0.042 0.000 1.015 175 P CB 3.895 35.606 31.700 0.019 0.000 1.392 176 D N -1.467 118.946 120.400 0.021 0.000 1.262 176 D HA -0.014 4.626 4.640 -0.000 0.000 0.732 176 D C -0.402 175.749 176.300 -0.248 0.000 0.888 176 D CA 0.591 54.551 54.000 -0.068 0.000 0.984 176 D CB -0.235 40.611 40.800 0.077 0.000 2.704 176 D HN 0.257 nan 8.370 nan 0.000 0.290 177 Y N 0.802 121.057 120.300 -0.076 0.000 3.203 177 Y HA 0.524 5.074 4.550 -0.000 0.000 0.326 177 Y C 0.814 176.685 175.900 -0.048 0.000 1.438 177 Y CA -0.408 57.644 58.100 -0.080 0.000 0.937 177 Y CB 0.164 38.556 38.460 -0.114 0.000 1.296 177 Y HN -0.282 nan 8.280 nan 0.000 0.766 178 S N 1.302 117.109 115.700 0.178 0.000 3.944 178 S HA 0.483 4.953 4.470 -0.000 0.000 0.215 178 S C -0.597 174.044 174.600 0.068 0.000 1.220 178 S CA 0.073 58.323 58.200 0.084 0.000 0.950 178 S CB -1.529 61.712 63.200 0.070 0.000 1.615 178 S HN 0.533 nan 8.310 nan 0.000 0.466 179 A N 1.593 124.448 122.820 0.059 0.000 2.485 179 A HA 0.629 4.949 4.320 -0.000 0.000 0.285 179 A C -0.103 177.502 177.584 0.034 0.000 1.045 179 A CA -0.622 51.444 52.037 0.048 0.000 0.792 179 A CB 1.367 20.404 19.000 0.062 0.000 1.307 179 A HN 0.382 nan 8.150 nan 0.000 0.406 180 T N 0.363 114.932 114.554 0.025 0.000 2.708 180 T HA 0.357 4.707 4.350 -0.000 0.000 0.256 180 T C -0.158 174.553 174.700 0.018 0.000 0.946 180 T CA -0.627 61.483 62.100 0.018 0.000 1.039 180 T CB 0.540 69.415 68.868 0.012 0.000 1.557 180 T HN 0.532 nan 8.240 nan 0.000 0.576 181 N N 2.089 120.797 118.700 0.014 0.000 2.394 181 N HA 0.103 4.843 4.740 -0.000 0.000 0.288 181 N C 0.119 175.639 175.510 0.016 0.000 1.272 181 N CA 0.184 53.242 53.050 0.014 0.000 1.004 181 N CB 0.333 38.826 38.487 0.011 0.000 1.393 181 N HN 0.325 nan 8.380 nan 0.000 0.488 182 V N 1.677 121.603 119.914 0.020 0.000 3.176 182 V HA 0.102 4.222 4.120 -0.000 0.000 0.332 182 V C 0.979 177.088 176.094 0.025 0.000 1.414 182 V CA -0.540 61.773 62.300 0.022 0.000 1.133 182 V CB -0.917 30.922 31.823 0.027 0.000 1.088 182 V HN 0.447 nan 8.190 nan 0.000 0.473 183 I N -1.397 119.188 120.570 0.024 0.000 3.292 183 I HA 0.339 4.509 4.170 -0.000 0.000 0.279 183 I C 0.243 176.380 176.117 0.033 0.000 1.268 183 I CA 0.675 61.992 61.300 0.029 0.000 1.342 183 I CB 0.262 38.279 38.000 0.028 0.000 1.366 183 I HN -0.005 nan 8.210 nan 0.000 0.615 184 E N 2.371 122.598 120.200 0.044 0.000 2.378 184 E HA 0.431 4.781 4.350 -0.000 0.000 0.265 184 E C -0.473 176.180 176.600 0.089 0.000 0.932 184 E CA -0.619 55.816 56.400 0.059 0.000 0.795 184 E CB 1.445 31.181 29.700 0.059 0.000 1.296 184 E HN 0.733 nan 8.360 nan 0.000 0.438 185 N N -0.439 118.347 118.700 0.143 0.000 2.324 185 N HA 0.126 4.866 4.740 -0.000 0.000 0.235 185 N C -0.515 175.280 175.510 0.475 0.000 1.162 185 N CA 0.267 53.464 53.050 0.246 0.000 0.834 185 N CB 1.039 39.651 38.487 0.208 0.000 1.354 185 N HN 0.194 nan 8.380 nan 0.000 0.471 186 F N 1.524 121.477 119.950 0.006 0.000 2.563 186 F HA 0.382 4.909 4.527 -0.000 0.000 0.316 186 F C 1.208 177.007 175.800 -0.003 0.000 1.076 186 F CA -1.386 56.617 58.000 0.005 0.000 0.921 186 F CB 1.525 40.528 39.000 0.004 0.000 1.209 186 F HN -0.267 nan 8.300 nan 0.000 0.462 187 D N 0.655 121.128 120.400 0.122 0.000 2.219 187 D HA -0.147 4.493 4.640 -0.000 0.000 0.205 187 D C 1.799 178.143 176.300 0.073 0.000 0.970 187 D CA 1.183 55.212 54.000 0.049 0.000 0.851 187 D CB 0.088 40.880 40.800 -0.012 0.000 0.943 187 D HN 0.809 nan 8.370 nan 0.000 0.488 188 E N 0.781 121.068 120.200 0.144 0.000 2.204 188 E HA -0.135 4.215 4.350 -0.000 0.000 0.194 188 E C 2.027 178.676 176.600 0.083 0.000 0.989 188 E CA 0.376 56.846 56.400 0.116 0.000 0.824 188 E CB -0.493 29.308 29.700 0.168 0.000 0.756 188 E HN 0.178 nan 8.360 nan 0.000 0.477 189 L N 0.807 122.091 121.223 0.102 0.000 2.447 189 L HA -0.072 4.268 4.340 -0.000 0.000 0.225 189 L C 0.601 177.491 176.870 0.033 0.000 1.148 189 L CA 1.168 56.038 54.840 0.050 0.000 0.808 189 L CB -0.110 41.983 42.059 0.057 0.000 0.928 189 L HN 0.041 nan 8.230 nan 0.000 0.448 190 K N -0.130 120.289 120.400 0.032 0.000 2.203 190 K HA 0.520 4.840 4.320 -0.000 0.000 0.251 190 K C -0.908 175.695 176.600 0.005 0.000 0.944 190 K CA -0.798 55.496 56.287 0.013 0.000 0.829 190 K CB 2.094 34.593 32.500 -0.001 0.000 1.125 190 K HN -0.102 nan 8.250 nan 0.000 0.430 191 L N 3.081 124.306 121.223 0.004 0.000 2.264 191 L HA 0.325 4.665 4.340 -0.000 0.000 0.289 191 L C -0.701 176.163 176.870 -0.010 0.000 1.044 191 L CA -0.261 54.580 54.840 0.001 0.000 0.807 191 L CB 0.496 42.560 42.059 0.008 0.000 1.192 191 L HN 0.778 nan 8.230 nan 0.000 0.425 192 D N 2.741 123.129 120.400 -0.020 0.000 2.663 192 D HA 0.372 5.012 4.640 -0.000 0.000 0.233 192 D C -2.910 173.369 176.300 -0.036 0.000 1.240 192 D CA -1.751 52.228 54.000 -0.035 0.000 0.774 192 D CB 0.949 41.713 40.800 -0.060 0.000 1.443 192 D HN 0.023 nan 8.370 nan 0.000 0.441 193 P HA -0.023 nan 4.420 nan 0.000 0.259 193 P C 1.035 178.316 177.300 -0.032 0.000 1.155 193 P CA 0.359 63.437 63.100 -0.038 0.000 0.759 193 P CB 0.513 32.184 31.700 -0.048 0.000 0.753 194 T N 2.797 117.338 114.554 -0.022 0.000 2.737 194 T HA -0.188 4.162 4.350 -0.000 0.000 0.269 194 T C 1.595 176.288 174.700 -0.012 0.000 1.040 194 T CA 1.424 63.515 62.100 -0.014 0.000 1.142 194 T CB -0.544 68.319 68.868 -0.008 0.000 0.861 194 T HN 0.251 nan 8.240 nan 0.000 0.456 195 I N 0.096 120.657 120.570 -0.013 0.000 2.252 195 I HA -0.055 4.115 4.170 -0.000 0.000 0.245 195 I C 2.739 178.853 176.117 -0.005 0.000 1.102 195 I CA 0.837 62.134 61.300 -0.006 0.000 1.385 195 I CB -0.352 37.644 38.000 -0.006 0.000 1.064 195 I HN 0.064 nan 8.210 nan 0.000 0.414 196 R N 1.508 121.993 120.500 -0.025 0.000 2.417 196 R HA -0.094 4.246 4.340 -0.000 0.000 0.220 196 R C 0.245 176.512 176.300 -0.055 0.000 1.128 196 R CA 0.566 56.638 56.100 -0.046 0.000 1.048 196 R CB -1.268 28.979 30.300 -0.088 0.000 0.835 196 R HN 0.563 nan 8.270 nan 0.000 0.483 197 N N 1.530 120.214 118.700 -0.026 0.000 3.259 197 N HA 0.040 4.780 4.740 -0.000 0.000 0.308 197 N C 0.126 175.655 175.510 0.032 0.000 1.334 197 N CA -0.196 52.846 53.050 -0.013 0.000 1.202 197 N CB 0.248 38.730 38.487 -0.008 0.000 1.485 197 N HN 0.082 nan 8.380 nan 0.000 0.549 198 N N 0.565 119.306 118.700 0.069 0.000 2.299 198 N HA 0.142 4.882 4.740 -0.000 0.000 0.187 198 N C 1.565 177.202 175.510 0.211 0.000 1.099 198 N CA 0.024 53.149 53.050 0.126 0.000 0.867 198 N CB 0.641 39.225 38.487 0.162 0.000 0.974 198 N HN 0.412 nan 8.380 nan 0.000 0.477 199 I N 0.453 121.128 120.570 0.174 0.000 2.264 199 I HA -0.262 3.908 4.170 -0.000 0.000 0.248 199 I C 1.862 178.140 176.117 0.268 0.000 1.111 199 I CA 0.964 62.407 61.300 0.239 0.000 1.382 199 I CB 0.033 38.017 38.000 -0.028 0.000 1.060 199 I HN 0.034 nan 8.210 nan 0.000 0.418 200 L N -0.051 121.256 121.223 0.139 0.000 2.109 200 L HA -0.136 4.204 4.340 -0.000 0.000 0.207 200 L C 2.240 179.160 176.870 0.084 0.000 1.086 200 L CA 1.614 56.513 54.840 0.098 0.000 0.760 200 L CB -0.388 41.699 42.059 0.048 0.000 0.910 200 L HN 0.163 nan 8.230 nan 0.000 0.437 201 L N -1.192 120.083 121.223 0.087 0.000 2.291 201 L HA -0.080 4.260 4.340 -0.000 0.000 0.214 201 L C 2.176 179.081 176.870 0.060 0.000 1.120 201 L CA 0.725 55.599 54.840 0.057 0.000 0.799 201 L CB -0.598 41.491 42.059 0.051 0.000 0.925 201 L HN 0.229 nan 8.230 nan 0.000 0.446 202 A N -1.453 121.448 122.820 0.135 0.000 2.259 202 A HA 0.081 4.401 4.320 -0.000 0.000 0.208 202 A C 1.368 178.957 177.584 0.009 0.000 1.201 202 A CA 0.483 52.598 52.037 0.129 0.000 0.824 202 A CB -0.088 19.119 19.000 0.345 0.000 0.838 202 A HN 0.306 nan 8.150 nan 0.000 0.485 203 S N -2.496 113.204 115.700 -0.001 0.000 3.586 203 S HA -0.180 4.290 4.470 -0.000 0.000 0.309 203 S C -0.515 173.969 174.600 -0.193 0.000 1.195 203 S CA 0.679 58.818 58.200 -0.102 0.000 0.895 203 S CB -2.168 60.939 63.200 -0.156 0.000 0.983 203 S HN 0.656 nan 8.310 nan 0.000 0.563 204 Y N 1.124 121.433 120.300 0.014 0.000 2.477 204 Y HA 0.394 4.944 4.550 0.000 0.000 0.349 204 Y C 1.204 177.084 175.900 -0.034 0.000 0.977 204 Y CA -0.358 57.744 58.100 0.004 0.000 1.214 204 Y CB 0.911 39.396 38.460 0.041 0.000 1.124 204 Y HN 0.135 nan 8.280 nan 0.000 0.521 205 Q N 2.434 122.249 119.800 0.024 0.000 2.134 205 Q HA 0.209 4.549 4.340 -0.000 0.000 0.195 205 Q C -0.062 175.879 176.000 -0.099 0.000 0.958 205 Q CA 1.311 57.088 55.803 -0.044 0.000 0.840 205 Q CB 0.540 29.233 28.738 -0.075 0.000 0.918 205 Q HN 0.632 nan 8.270 nan 0.000 0.467 206 R N -1.056 119.401 120.500 -0.071 0.000 2.817 206 R HA 0.519 4.859 4.340 -0.000 0.000 0.268 206 R C -2.633 173.664 176.300 -0.005 0.000 1.027 206 R CA -2.084 53.943 56.100 -0.122 0.000 0.928 206 R CB 1.082 31.275 30.300 -0.179 0.000 1.228 206 R HN -0.114 nan 8.270 nan 0.000 0.469 207 P HA 0.060 nan 4.420 nan 0.000 0.282 207 P C -0.461 176.869 177.300 0.050 0.000 1.262 207 P CA -0.232 62.892 63.100 0.039 0.000 0.773 207 P CB 0.871 32.596 31.700 0.042 0.000 0.879 208 T N 1.436 116.031 114.554 0.069 0.000 2.828 208 T HA 0.189 4.539 4.350 -0.000 0.000 0.290 208 T C -1.777 172.956 174.700 0.054 0.000 1.019 208 T CA -1.600 60.538 62.100 0.063 0.000 1.031 208 T CB 0.069 68.985 68.868 0.079 0.000 1.001 208 T HN 0.106 nan 8.240 nan 0.000 0.531 209 P HA -0.126 nan 4.420 nan 0.000 0.216 209 P C 1.587 178.913 177.300 0.044 0.000 1.157 209 P CA 0.578 63.702 63.100 0.040 0.000 0.880 209 P CB -0.103 31.617 31.700 0.032 0.000 0.791 210 I N -0.665 119.939 120.570 0.057 0.000 2.361 210 I HA -0.244 3.926 4.170 -0.000 0.000 0.251 210 I C 1.943 178.114 176.117 0.090 0.000 1.133 210 I CA 1.733 63.080 61.300 0.079 0.000 1.413 210 I CB -0.771 37.306 38.000 0.128 0.000 1.073 210 I HN -0.039 nan 8.210 nan 0.000 0.424 211 Q N -0.088 119.755 119.800 0.071 0.000 2.245 211 Q HA -0.107 4.233 4.340 -0.000 0.000 0.201 211 Q C 1.960 177.984 176.000 0.041 0.000 0.955 211 Q CA 0.996 56.829 55.803 0.050 0.000 0.870 211 Q CB -0.114 28.635 28.738 0.018 0.000 0.945 211 Q HN 0.518 nan 8.270 nan 0.000 0.461 212 K N 0.466 120.893 120.400 0.044 0.000 2.217 212 K HA -0.013 4.307 4.320 -0.000 0.000 0.202 212 K C 1.285 177.909 176.600 0.039 0.000 1.051 212 K CA 0.817 57.130 56.287 0.043 0.000 0.952 212 K CB 0.065 32.594 32.500 0.049 0.000 0.736 212 K HN 0.186 nan 8.250 nan 0.000 0.453 213 N N 0.353 119.075 118.700 0.037 0.000 2.368 213 N HA 0.051 4.791 4.740 -0.000 0.000 0.178 213 N C 1.461 176.992 175.510 0.035 0.000 1.076 213 N CA 0.602 53.669 53.050 0.028 0.000 0.889 213 N CB 0.581 39.074 38.487 0.011 0.000 1.040 213 N HN 0.137 nan 8.380 nan 0.000 0.463 214 A N 0.889 123.742 122.820 0.055 0.000 1.997 214 A HA 0.226 4.546 4.320 -0.000 0.000 0.212 214 A C 2.129 179.766 177.584 0.088 0.000 1.178 214 A CA 0.043 52.128 52.037 0.079 0.000 0.698 214 A CB -0.157 18.927 19.000 0.141 0.000 0.842 214 A HN 0.046 nan 8.150 nan 0.000 0.458 215 I N 0.282 120.892 120.570 0.066 0.000 2.226 215 I HA -0.153 4.017 4.170 -0.000 0.000 0.245 215 I C -0.686 175.457 176.117 0.043 0.000 1.100 215 I CA 1.330 62.656 61.300 0.044 0.000 1.374 215 I CB -1.131 36.871 38.000 0.003 0.000 1.057 215 I HN 0.190 nan 8.210 nan 0.000 0.413 216 P HA -0.118 nan 4.420 nan 0.000 0.216 216 P C 1.583 178.919 177.300 0.061 0.000 1.153 216 P CA 1.678 64.806 63.100 0.047 0.000 0.848 216 P CB 0.011 31.735 31.700 0.041 0.000 0.787 217 A N -0.389 122.469 122.820 0.063 0.000 1.883 217 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 217 A C 2.205 179.843 177.584 0.089 0.000 1.186 217 A CA 1.694 53.774 52.037 0.072 0.000 0.624 217 A CB -1.732 17.306 19.000 0.063 0.000 0.822 217 A HN 0.096 nan 8.150 nan 0.000 0.444 218 I N -0.349 120.275 120.570 0.090 0.000 2.179 218 I HA -0.259 3.911 4.170 -0.000 0.000 0.242 218 I C 2.157 178.315 176.117 0.069 0.000 1.088 218 I CA 1.171 62.528 61.300 0.094 0.000 1.357 218 I CB -0.391 37.675 38.000 0.111 0.000 1.051 218 I HN 0.260 nan 8.210 nan 0.000 0.409 219 L N 0.331 121.590 121.223 0.061 0.000 2.450 219 L HA -0.168 4.172 4.340 -0.000 0.000 0.224 219 L C 1.500 178.474 176.870 0.175 0.000 1.149 219 L CA 1.068 55.944 54.840 0.059 0.000 0.816 219 L CB -0.438 41.653 42.059 0.053 0.000 0.932 219 L HN 0.299 nan 8.230 nan 0.000 0.449 220 E N -1.541 118.782 120.200 0.205 0.000 2.451 220 E HA 0.022 4.372 4.350 -0.000 0.000 0.194 220 E C -0.365 176.478 176.600 0.406 0.000 1.027 220 E CA -0.166 56.399 56.400 0.274 0.000 0.914 220 E CB 0.264 30.038 29.700 0.124 0.000 1.054 220 E HN 0.362 nan 8.360 nan 0.000 0.461 221 H N -0.906 118.188 119.070 0.040 0.000 2.992 221 H HA -0.151 4.405 4.556 -0.000 0.000 0.266 221 H C -0.232 175.130 175.328 0.056 0.000 1.200 221 H CA 0.522 56.597 56.048 0.046 0.000 1.135 221 H CB -1.481 28.299 29.762 0.031 0.000 1.282 221 H HN 0.060 nan 8.280 nan 0.000 0.351 222 R N 1.201 121.801 120.500 0.166 0.000 2.457 222 R HA 0.285 4.625 4.340 -0.000 0.000 0.284 222 R C 0.150 176.514 176.300 0.107 0.000 1.024 222 R CA -0.731 55.439 56.100 0.117 0.000 1.025 222 R CB 0.911 31.262 30.300 0.084 0.000 1.063 222 R HN 0.134 nan 8.270 nan 0.000 0.493 223 D N 1.396 121.860 120.400 0.106 0.000 2.344 223 D HA 0.412 5.052 4.640 -0.000 0.000 0.244 223 D C 0.119 176.485 176.300 0.109 0.000 1.134 223 D CA 0.130 54.197 54.000 0.112 0.000 0.930 223 D CB 0.890 41.777 40.800 0.144 0.000 1.175 223 D HN 0.281 nan 8.370 nan 0.000 0.437 224 I N 0.795 121.400 120.570 0.059 0.000 2.752 224 I HA 0.208 4.378 4.170 -0.000 0.000 0.295 224 I C -1.092 174.944 176.117 -0.135 0.000 1.219 224 I CA -0.859 60.443 61.300 0.003 0.000 1.030 224 I CB 2.114 40.076 38.000 -0.064 0.000 1.259 224 I HN 0.096 nan 8.210 nan 0.000 0.423 225 M N 6.236 125.769 119.600 -0.112 0.000 2.006 225 M HA 0.647 5.127 4.480 -0.000 0.000 0.314 225 M C -1.246 174.889 176.300 -0.276 0.000 0.926 225 M CA -0.678 54.512 55.300 -0.183 0.000 0.906 225 M CB 0.931 33.420 32.600 -0.185 0.000 1.422 225 M HN 0.542 nan 8.290 nan 0.000 0.397 226 A N 3.956 126.476 122.820 -0.500 0.000 2.271 226 A HA 0.691 5.011 4.320 -0.000 0.000 0.317 226 A C -0.730 176.645 177.584 -0.349 0.000 1.245 226 A CA -0.556 51.155 52.037 -0.543 0.000 0.857 226 A CB 0.434 19.008 19.000 -0.709 0.000 1.175 226 A HN 0.869 nan 8.150 nan 0.000 0.512 227 C N 2.798 121.885 119.300 -0.355 0.000 2.265 227 C HA 0.805 5.265 4.460 -0.000 0.000 0.332 227 C C 0.653 175.607 174.990 -0.060 0.000 1.248 227 C CA 0.315 59.242 59.018 -0.151 0.000 1.727 227 C CB -0.828 26.805 27.740 -0.178 0.000 2.348 227 C HN 1.092 nan 8.230 nan 0.000 0.519 228 A N 3.984 126.839 122.820 0.058 0.000 2.582 228 A HA 0.632 4.952 4.320 -0.000 0.000 0.297 228 A C -0.828 176.830 177.584 0.125 0.000 1.059 228 A CA -0.750 51.343 52.037 0.092 0.000 0.705 228 A CB 0.783 19.865 19.000 0.138 0.000 1.279 228 A HN 0.836 nan 8.150 nan 0.000 0.404 229 Q N 0.613 120.469 119.800 0.093 0.000 2.237 229 Q HA 0.665 5.005 4.340 -0.000 0.000 0.219 229 Q C -0.227 175.824 176.000 0.085 0.000 0.999 229 Q CA -0.506 55.350 55.803 0.088 0.000 0.959 229 Q CB 0.174 28.951 28.738 0.065 0.000 1.173 229 Q HN 0.518 nan 8.270 nan 0.000 0.527 230 T N 0.386 114.982 114.554 0.071 0.000 2.940 230 T HA 0.375 4.725 4.350 -0.000 0.000 0.309 230 T C 0.844 175.570 174.700 0.042 0.000 1.056 230 T CA 0.772 62.905 62.100 0.056 0.000 1.137 230 T CB 0.248 69.142 68.868 0.044 0.000 0.976 230 T HN 0.998 nan 8.240 nan 0.000 0.547 231 G N 1.565 110.386 108.800 0.035 0.000 2.140 231 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.211 231 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.211 231 G C 0.609 175.529 174.900 0.032 0.000 1.013 231 G CA 0.308 45.422 45.100 0.023 0.000 0.705 231 G HN 1.099 nan 8.290 nan 0.000 0.508 232 S N -1.405 114.325 115.700 0.050 0.000 2.666 232 S HA 0.502 4.972 4.470 -0.000 0.000 0.239 232 S C 1.791 176.437 174.600 0.076 0.000 1.031 232 S CA 1.093 59.330 58.200 0.061 0.000 1.015 232 S CB 0.925 64.169 63.200 0.073 0.000 0.981 232 S HN 2.262 nan 8.310 nan 0.000 0.547 233 G N 1.957 110.804 108.800 0.079 0.000 2.141 233 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.231 233 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.231 233 G C 0.728 175.643 174.900 0.026 0.000 0.984 233 G CA 0.356 45.523 45.100 0.112 0.000 0.660 233 G HN 0.460 nan 8.290 nan 0.000 0.525 234 K N -0.278 120.126 120.400 0.007 0.000 2.001 234 K HA -0.148 4.172 4.320 -0.000 0.000 0.214 234 K C 2.658 179.016 176.600 -0.404 0.000 1.050 234 K CA 2.146 58.381 56.287 -0.086 0.000 0.934 234 K CB -0.467 32.013 32.500 -0.032 0.000 0.718 234 K HN 0.391 nan 8.250 nan 0.000 0.443 235 T N 1.095 115.400 114.554 -0.416 0.000 2.607 235 T HA -0.243 4.107 4.350 -0.000 0.000 0.267 235 T C 1.989 176.106 174.700 -0.972 0.000 1.049 235 T CA 1.787 63.343 62.100 -0.906 0.000 1.162 235 T CB -0.456 68.200 68.868 -0.354 0.000 0.863 235 T HN 0.413 nan 8.240 nan 0.000 0.424 236 A N 1.457 124.046 122.820 -0.386 0.000 1.940 236 A HA 0.053 4.373 4.320 -0.000 0.000 0.219 236 A C 2.667 180.020 177.584 -0.386 0.000 1.176 236 A CA 2.086 53.943 52.037 -0.300 0.000 0.631 236 A CB -1.195 17.498 19.000 -0.512 0.000 0.814 236 A HN 0.552 nan 8.150 nan 0.000 0.446 237 A N -0.291 122.344 122.820 -0.309 0.000 1.917 237 A HA -0.053 4.267 4.320 -0.000 0.000 0.219 237 A C 1.887 179.444 177.584 -0.046 0.000 1.182 237 A CA 1.851 53.816 52.037 -0.121 0.000 0.633 237 A CB -0.799 18.237 19.000 0.060 0.000 0.819 237 A HN 1.142 nan 8.150 nan 0.000 0.448 238 F N -2.333 117.577 119.950 -0.068 0.000 2.714 238 F HA 0.390 4.917 4.527 0.000 0.000 0.294 238 F C 1.387 177.168 175.800 -0.033 0.000 1.120 238 F CA -0.074 57.915 58.000 -0.019 0.000 1.398 238 F CB -0.314 38.659 39.000 -0.045 0.000 1.120 238 F HN 0.040 nan 8.300 nan 0.000 0.589 239 L N 0.153 121.245 121.223 -0.218 0.000 2.249 239 L HA 0.061 4.401 4.340 -0.000 0.000 0.207 239 L C 2.403 179.196 176.870 -0.129 0.000 1.090 239 L CA 0.582 55.406 54.840 -0.026 0.000 0.802 239 L CB -0.347 41.743 42.059 0.051 0.000 0.947 239 L HN 0.152 nan 8.230 nan 0.000 0.453 240 I N 0.599 120.972 120.570 -0.328 0.000 2.113 240 I HA -0.204 3.966 4.170 -0.000 0.000 0.238 240 I C -0.239 175.733 176.117 -0.241 0.000 1.070 240 I CA 1.614 62.638 61.300 -0.460 0.000 1.332 240 I CB -1.511 36.158 38.000 -0.551 0.000 1.044 240 I HN 0.173 nan 8.210 nan 0.000 0.402 241 P HA -0.165 nan 4.420 nan 0.000 0.215 241 P C 1.882 179.125 177.300 -0.095 0.000 1.157 241 P CA 1.669 64.715 63.100 -0.091 0.000 0.868 241 P CB -0.010 31.666 31.700 -0.040 0.000 0.788 242 I N -1.362 119.151 120.570 -0.095 0.000 2.142 242 I HA -0.224 3.946 4.170 -0.000 0.000 0.240 242 I C 2.370 178.407 176.117 -0.133 0.000 1.078 242 I CA 1.508 62.708 61.300 -0.166 0.000 1.343 242 I CB -0.642 37.301 38.000 -0.095 0.000 1.046 242 I HN -0.128 nan 8.210 nan 0.000 0.405 243 I N 0.767 121.289 120.570 -0.080 0.000 2.226 243 I HA -0.335 3.835 4.170 -0.000 0.000 0.245 243 I C 2.517 178.583 176.117 -0.085 0.000 1.100 243 I CA 1.428 62.693 61.300 -0.059 0.000 1.374 243 I CB -0.602 37.390 38.000 -0.013 0.000 1.057 243 I HN 0.403 nan 8.210 nan 0.000 0.413 244 N N 0.404 119.042 118.700 -0.104 0.000 2.166 244 N HA -0.281 4.459 4.740 -0.000 0.000 0.186 244 N C 2.014 177.482 175.510 -0.070 0.000 1.019 244 N CA 1.700 54.694 53.050 -0.093 0.000 0.856 244 N CB -0.104 38.322 38.487 -0.103 0.000 0.993 244 N HN 0.417 nan 8.380 nan 0.000 0.426 245 H N 0.893 119.871 119.070 -0.153 0.000 2.321 245 H HA 0.057 4.613 4.556 0.000 0.000 0.300 245 H C 2.256 177.496 175.328 -0.147 0.000 1.087 245 H CA 1.569 57.527 56.048 -0.150 0.000 1.319 245 H CB -0.320 29.311 29.762 -0.220 0.000 1.379 245 H HN 0.136 nan 8.280 nan 0.000 0.501 246 L N 0.314 121.437 121.223 -0.167 0.000 2.131 246 L HA -0.123 4.217 4.340 -0.000 0.000 0.210 246 L C 2.550 179.289 176.870 -0.220 0.000 1.092 246 L CA 1.197 55.918 54.840 -0.199 0.000 0.759 246 L CB -0.461 41.513 42.059 -0.142 0.000 0.903 246 L HN 0.379 nan 8.230 nan 0.000 0.435 247 V N -4.773 115.036 119.914 -0.174 0.000 2.719 247 V HA -0.140 3.980 4.120 -0.000 0.000 0.252 247 V C 1.991 177.996 176.094 -0.148 0.000 1.065 247 V CA 0.954 63.164 62.300 -0.151 0.000 1.086 247 V CB -0.801 30.961 31.823 -0.101 0.000 0.700 247 V HN 0.435 nan 8.190 nan 0.000 0.467 248 C N 0.934 120.130 119.300 -0.172 0.000 2.546 248 C HA 0.169 4.629 4.460 -0.000 0.000 0.275 248 C C 2.120 177.008 174.990 -0.170 0.000 1.393 248 C CA 0.785 59.709 59.018 -0.156 0.000 1.703 248 C CB -1.905 25.744 27.740 -0.152 0.000 1.710 248 C HN 0.702 nan 8.230 nan 0.000 0.581 249 Q N 0.336 120.020 119.800 -0.193 0.000 2.189 249 Q HA 0.093 4.433 4.340 -0.000 0.000 0.223 249 Q C -0.259 175.662 176.000 -0.131 0.000 0.828 249 Q CA -0.242 55.466 55.803 -0.159 0.000 0.967 249 Q CB 0.203 28.832 28.738 -0.183 0.000 1.139 249 Q HN 0.802 nan 8.270 nan 0.000 0.497 250 D N 0.718 121.036 120.400 -0.137 0.000 4.662 250 D HA -0.228 4.412 4.640 -0.000 0.000 0.116 250 D C -0.168 176.071 176.300 -0.101 0.000 0.953 250 D CA 0.296 54.223 54.000 -0.122 0.000 0.570 250 D CB 0.550 41.299 40.800 -0.085 0.000 1.127 250 D HN -0.015 nan 8.370 nan 0.000 0.595 259 T N 2.247 116.820 114.554 0.032 0.000 2.851 259 T HA 0.444 4.794 4.350 -0.000 0.000 0.298 259 T C -0.011 174.606 174.700 -0.140 0.000 0.977 259 T CA -0.003 62.046 62.100 -0.085 0.000 1.126 259 T CB 1.078 69.841 68.868 -0.175 0.000 0.916 259 T HN 0.586 nan 8.240 nan 0.000 0.529 260 A N 2.915 125.624 122.820 -0.185 0.000 2.340 260 A HA 0.578 4.898 4.320 -0.000 0.000 0.268 260 A C -0.940 176.461 177.584 -0.306 0.000 1.100 260 A CA -0.445 51.524 52.037 -0.113 0.000 0.803 260 A CB 0.135 19.103 19.000 -0.053 0.000 1.043 260 A HN 0.888 nan 8.150 nan 0.000 0.488 261 Y N 1.393 121.706 120.300 0.022 0.000 2.662 261 Y HA 0.309 4.859 4.550 -0.000 0.000 0.358 261 Y C -2.395 173.549 175.900 0.073 0.000 1.041 261 Y CA -2.207 55.942 58.100 0.082 0.000 1.184 261 Y CB 0.589 39.083 38.460 0.056 0.000 1.114 261 Y HN 0.488 nan 8.280 nan 0.000 0.650 262 P HA 0.072 nan 4.420 nan 0.000 0.267 262 P C 0.373 177.802 177.300 0.216 0.000 1.200 262 P CA 0.006 63.190 63.100 0.139 0.000 0.772 262 P CB 1.200 32.950 31.700 0.083 0.000 0.855 263 K N 0.274 120.814 120.400 0.234 0.000 2.334 263 K HA 0.150 4.470 4.320 -0.000 0.000 0.195 263 K C 0.361 177.178 176.600 0.363 0.000 1.045 263 K CA 0.386 56.857 56.287 0.306 0.000 1.004 263 K CB 0.328 33.008 32.500 0.300 0.000 0.837 263 K HN 0.456 nan 8.250 nan 0.000 0.510 264 C N 0.746 120.200 119.300 0.256 0.000 2.698 264 C HA 0.685 5.145 4.460 -0.000 0.000 0.309 264 C C -1.966 173.104 174.990 0.132 0.000 1.186 264 C CA -1.136 58.022 59.018 0.234 0.000 1.474 264 C CB 0.699 28.541 27.740 0.171 0.000 2.020 264 C HN 0.258 nan 8.230 nan 0.000 0.474 265 L N 6.700 127.980 121.223 0.095 0.000 2.408 265 L HA 0.824 5.164 4.340 -0.000 0.000 0.268 265 L C -1.374 175.491 176.870 -0.009 0.000 0.986 265 L CA -0.369 54.489 54.840 0.029 0.000 0.820 265 L CB 1.643 43.702 42.059 0.001 0.000 1.303 265 L HN 0.613 nan 8.230 nan 0.000 0.411 266 I N 6.053 126.603 120.570 -0.033 0.000 2.436 266 I HA 0.380 4.550 4.170 -0.000 0.000 0.289 266 I C -0.666 175.396 176.117 -0.092 0.000 1.010 266 I CA -0.481 60.764 61.300 -0.091 0.000 1.098 266 I CB 1.649 39.616 38.000 -0.055 0.000 1.266 266 I HN 0.558 nan 8.210 nan 0.000 0.434 267 L N 5.385 126.539 121.223 -0.115 0.000 2.282 267 L HA 0.751 5.091 4.340 -0.000 0.000 0.288 267 L C 0.231 177.044 176.870 -0.095 0.000 1.033 267 L CA -0.405 54.368 54.840 -0.111 0.000 0.807 267 L CB 1.746 43.736 42.059 -0.115 0.000 1.209 267 L HN 0.727 nan 8.230 nan 0.000 0.423 268 A N 4.760 127.525 122.820 -0.092 0.000 2.384 268 A HA 0.774 5.094 4.320 -0.000 0.000 0.312 268 A C -2.360 175.183 177.584 -0.069 0.000 1.113 268 A CA -1.444 50.563 52.037 -0.051 0.000 0.779 268 A CB 1.634 20.620 19.000 -0.023 0.000 1.307 268 A HN 0.503 nan 8.150 nan 0.000 0.436 269 P HA 0.025 nan 4.420 nan 0.000 0.217 269 P C 0.632 177.994 177.300 0.103 0.000 1.154 269 P CA 1.748 64.907 63.100 0.099 0.000 0.841 269 P CB 0.123 31.907 31.700 0.141 0.000 0.788 270 T N -3.984 110.595 114.554 0.040 0.000 2.916 270 T HA 0.405 4.755 4.350 -0.000 0.000 0.292 270 T C 1.061 175.720 174.700 -0.068 0.000 1.064 270 T CA -0.961 61.144 62.100 0.008 0.000 1.011 270 T CB 1.958 70.828 68.868 0.002 0.000 1.152 270 T HN 0.004 nan 8.240 nan 0.000 0.510 271 R N 0.657 121.057 120.500 -0.167 0.000 2.120 271 R HA -0.042 4.298 4.340 -0.000 0.000 0.234 271 R C 1.470 177.574 176.300 -0.326 0.000 1.123 271 R CA 1.341 57.184 56.100 -0.428 0.000 0.975 271 R CB -0.662 29.079 30.300 -0.931 0.000 0.866 271 R HN 0.621 nan 8.270 nan 0.000 0.446 272 E N 1.397 121.476 120.200 -0.203 0.000 2.038 272 E HA -0.176 4.174 4.350 -0.000 0.000 0.195 272 E C 1.840 178.394 176.600 -0.076 0.000 1.000 272 E CA 1.294 57.617 56.400 -0.128 0.000 0.803 272 E CB -0.334 29.317 29.700 -0.080 0.000 0.750 272 E HN 0.207 nan 8.360 nan 0.000 0.448 273 L N 0.561 121.757 121.223 -0.047 0.000 2.017 273 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 273 L C 2.086 178.953 176.870 -0.006 0.000 1.073 273 L CA 2.116 56.948 54.840 -0.013 0.000 0.745 273 L CB -0.901 41.163 42.059 0.009 0.000 0.894 273 L HN 0.137 nan 8.230 nan 0.000 0.432 274 A N -0.275 122.537 122.820 -0.015 0.000 1.940 274 A HA -0.220 4.100 4.320 -0.000 0.000 0.219 274 A C 2.276 179.881 177.584 0.034 0.000 1.176 274 A CA 2.271 54.320 52.037 0.020 0.000 0.631 274 A CB -0.905 18.127 19.000 0.053 0.000 0.814 274 A HN 0.547 nan 8.150 nan 0.000 0.446 275 I N -0.953 119.618 120.570 0.001 0.000 2.286 275 I HA -0.277 3.893 4.170 -0.000 0.000 0.245 275 I C 2.769 178.884 176.117 -0.002 0.000 1.104 275 I CA 1.390 62.700 61.300 0.016 0.000 1.397 275 I CB -0.553 37.434 38.000 -0.023 0.000 1.072 275 I HN 0.442 nan 8.210 nan 0.000 0.417 276 Q N 0.752 120.541 119.800 -0.018 0.000 2.096 276 Q HA -0.187 4.153 4.340 -0.000 0.000 0.204 276 Q C 2.335 178.319 176.000 -0.028 0.000 0.982 276 Q CA 1.557 57.344 55.803 -0.027 0.000 0.850 276 Q CB -0.096 28.627 28.738 -0.025 0.000 0.901 276 Q HN 0.546 nan 8.270 nan 0.000 0.422 277 I N 0.266 120.838 120.570 0.004 0.000 2.315 277 I HA -0.249 3.921 4.170 -0.000 0.000 0.248 277 I C 2.280 178.402 176.117 0.008 0.000 1.117 277 I CA 0.551 61.866 61.300 0.025 0.000 1.404 277 I CB -0.212 37.851 38.000 0.104 0.000 1.071 277 I HN 0.218 nan 8.210 nan 0.000 0.419 278 L N 0.382 121.614 121.223 0.015 0.000 2.046 278 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 278 L C 2.559 179.416 176.870 -0.022 0.000 1.077 278 L CA 1.841 56.688 54.840 0.012 0.000 0.747 278 L CB -0.441 41.635 42.059 0.027 0.000 0.896 278 L HN 0.064 nan 8.230 nan 0.000 0.432 279 S N -0.380 115.297 115.700 -0.039 0.000 2.356 279 S HA -0.157 4.313 4.470 -0.000 0.000 0.223 279 S C 1.835 176.349 174.600 -0.143 0.000 1.032 279 S CA 1.271 59.429 58.200 -0.070 0.000 1.005 279 S CB -0.388 62.775 63.200 -0.063 0.000 0.867 279 S HN 0.488 nan 8.310 nan 0.000 0.449 280 E N 1.200 121.281 120.200 -0.198 0.000 2.077 280 E HA -0.087 4.263 4.350 -0.000 0.000 0.193 280 E C 2.376 178.686 176.600 -0.483 0.000 0.989 280 E CA 0.855 56.999 56.400 -0.426 0.000 0.800 280 E CB -0.692 28.754 29.700 -0.424 0.000 0.746 280 E HN 0.430 nan 8.360 nan 0.000 0.452 281 S N 0.548 116.137 115.700 -0.186 0.000 2.370 281 S HA -0.221 4.249 4.470 -0.000 0.000 0.226 281 S C 1.894 176.490 174.600 -0.008 0.000 1.033 281 S CA 1.523 59.714 58.200 -0.016 0.000 1.011 281 S CB -0.017 63.212 63.200 0.048 0.000 0.852 281 S HN 0.266 nan 8.310 nan 0.000 0.457 282 Q N 0.376 120.149 119.800 -0.046 0.000 2.084 282 Q HA -0.101 4.239 4.340 -0.000 0.000 0.202 282 Q C 2.354 178.337 176.000 -0.029 0.000 0.978 282 Q CA 1.431 57.222 55.803 -0.020 0.000 0.844 282 Q CB -0.199 28.525 28.738 -0.024 0.000 0.898 282 Q HN 0.540 nan 8.270 nan 0.000 0.426 283 K N 0.327 120.658 120.400 -0.115 0.000 2.063 283 K HA -0.131 4.189 4.320 -0.000 0.000 0.208 283 K C 1.814 178.428 176.600 0.024 0.000 1.048 283 K CA 1.356 57.577 56.287 -0.110 0.000 0.928 283 K CB -0.177 32.170 32.500 -0.255 0.000 0.713 283 K HN 0.207 nan 8.250 nan 0.000 0.442 284 F N 0.565 120.506 119.950 -0.015 0.000 2.407 284 F HA -0.091 4.436 4.527 -0.000 0.000 0.299 284 F C 2.033 177.816 175.800 -0.028 0.000 1.097 284 F CA 0.132 58.111 58.000 -0.035 0.000 1.422 284 F CB 0.238 39.196 39.000 -0.070 0.000 1.067 284 F HN -0.036 nan 8.300 nan 0.000 0.539 285 S N 0.176 115.972 115.700 0.159 0.000 2.548 285 S HA 0.149 4.619 4.470 -0.000 0.000 0.215 285 S C 0.673 175.309 174.600 0.059 0.000 0.976 285 S CA -0.231 58.023 58.200 0.089 0.000 0.908 285 S CB -0.224 63.021 63.200 0.074 0.000 0.781 285 S HN 0.100 nan 8.310 nan 0.000 0.519 286 L N 3.236 124.493 121.223 0.058 0.000 2.678 286 L HA -0.096 4.243 4.340 -0.000 0.000 0.285 286 L C 1.009 177.897 176.870 0.029 0.000 1.233 286 L CA 0.432 55.294 54.840 0.037 0.000 0.920 286 L CB -0.449 41.632 42.059 0.037 0.000 1.176 286 L HN 0.461 nan 8.230 nan 0.000 0.495 287 N N 1.022 119.735 118.700 0.021 0.000 2.740 287 N HA -0.176 4.563 4.740 -0.000 0.000 0.248 287 N C -0.561 174.956 175.510 0.010 0.000 1.062 287 N CA 0.582 53.641 53.050 0.014 0.000 0.704 287 N CB -0.138 38.356 38.487 0.012 0.000 0.968 287 N HN 0.728 nan 8.380 nan 0.000 0.547 288 T N -0.731 113.832 114.554 0.014 0.000 2.896 288 T HA 0.423 4.773 4.350 -0.000 0.000 0.297 288 T C -2.048 172.659 174.700 0.013 0.000 1.108 288 T CA -0.822 61.281 62.100 0.005 0.000 1.004 288 T CB 1.881 70.751 68.868 0.004 0.000 1.159 288 T HN -0.131 nan 8.240 nan 0.000 0.499 289 P HA 0.202 nan 4.420 nan 0.000 0.245 289 P C 0.068 177.415 177.300 0.078 0.000 1.212 289 P CA -0.141 62.973 63.100 0.023 0.000 0.774 289 P CB 0.070 31.762 31.700 -0.014 0.000 0.999 290 L N 1.213 122.467 121.223 0.051 0.000 2.499 290 L HA 0.086 4.426 4.340 -0.000 0.000 0.273 290 L C 0.307 177.321 176.870 0.240 0.000 1.195 290 L CA 0.568 55.504 54.840 0.161 0.000 0.882 290 L CB 0.058 42.164 42.059 0.079 0.000 1.133 290 L HN -0.152 nan 8.230 nan 0.000 0.483 291 R N 3.857 124.592 120.500 0.391 0.000 2.310 291 R HA 0.441 4.781 4.340 -0.000 0.000 0.324 291 R C -0.763 175.565 176.300 0.047 0.000 0.955 291 R CA -0.443 55.707 56.100 0.084 0.000 0.830 291 R CB 1.122 31.348 30.300 -0.122 0.000 1.154 291 R HN 0.625 nan 8.270 nan 0.000 0.458 292 S N 1.558 117.283 115.700 0.041 0.000 2.509 292 S HA 0.582 5.052 4.470 -0.000 0.000 0.297 292 S C -0.256 174.344 174.600 -0.001 0.000 1.118 292 S CA -0.482 57.736 58.200 0.031 0.000 1.074 292 S CB 1.275 64.501 63.200 0.043 0.000 1.038 292 S HN 0.569 nan 8.310 nan 0.000 0.498 293 C N 1.906 121.199 119.300 -0.013 0.000 2.889 293 C HA 0.868 5.328 4.460 -0.000 0.000 0.307 293 C C -0.134 174.828 174.990 -0.047 0.000 1.251 293 C CA -0.601 58.394 59.018 -0.038 0.000 1.593 293 C CB 1.588 29.292 27.740 -0.059 0.000 2.104 293 C HN 0.672 nan 8.230 nan 0.000 0.476 294 V N 1.951 121.821 119.914 -0.074 0.000 2.925 294 V HA 0.874 4.994 4.120 -0.000 0.000 0.311 294 V C -1.349 174.612 176.094 -0.223 0.000 1.104 294 V CA -0.233 62.018 62.300 -0.081 0.000 0.954 294 V CB 2.229 34.067 31.823 0.024 0.000 1.022 294 V HN 0.719 nan 8.190 nan 0.000 0.427 295 V N 7.028 126.782 119.914 -0.267 0.000 2.623 295 V HA 0.673 4.793 4.120 -0.000 0.000 0.304 295 V C -1.407 174.516 176.094 -0.285 0.000 1.054 295 V CA -0.559 61.447 62.300 -0.490 0.000 0.882 295 V CB 1.664 33.040 31.823 -0.745 0.000 1.002 295 V HN 0.989 nan 8.190 nan 0.000 0.424 296 Y N 1.526 121.719 120.300 -0.179 0.000 2.552 296 Y HA 0.836 5.386 4.550 -0.000 0.000 0.337 296 Y C 0.238 176.117 175.900 -0.036 0.000 1.094 296 Y CA -1.267 56.771 58.100 -0.103 0.000 1.028 296 Y CB 0.996 39.414 38.460 -0.070 0.000 1.321 296 Y HN 0.767 nan 8.280 nan 0.000 0.456 297 G N 0.716 109.660 108.800 0.239 0.000 2.391 297 G HA2 0.470 4.430 3.960 -0.000 0.000 0.234 297 G HA3 0.470 4.430 3.960 -0.000 0.000 0.234 297 G C 0.311 175.374 174.900 0.272 0.000 1.284 297 G CA 0.656 45.877 45.100 0.201 0.000 0.873 297 G HN 1.866 nan 8.290 nan 0.000 0.549 298 G N -0.264 108.647 108.800 0.186 0.000 2.291 298 G HA2 0.526 4.486 3.960 -0.000 0.000 0.249 298 G HA3 0.526 4.486 3.960 -0.000 0.000 0.249 298 G C -0.599 174.371 174.900 0.115 0.000 1.340 298 G CA -0.056 45.148 45.100 0.174 0.000 1.017 298 G HN 1.875 nan 8.290 nan 0.000 0.470 299 A N 0.318 123.200 122.820 0.104 0.000 2.511 299 A HA 0.749 5.069 4.320 -0.000 0.000 0.340 299 A C -0.676 176.917 177.584 0.016 0.000 1.396 299 A CA 0.248 52.314 52.037 0.048 0.000 0.887 299 A CB 0.480 19.499 19.000 0.032 0.000 1.145 299 A HN 0.909 nan 8.150 nan 0.000 0.497 300 D N 0.974 121.367 120.400 -0.012 0.000 2.400 300 D HA 0.205 4.845 4.640 -0.000 0.000 0.197 300 D C 0.622 176.915 176.300 -0.011 0.000 1.295 300 D CA 0.508 54.472 54.000 -0.061 0.000 0.878 300 D CB 1.163 41.902 40.800 -0.103 0.000 1.659 300 D HN 0.340 nan 8.370 nan 0.000 0.546 301 T N -0.740 113.817 114.554 0.005 0.000 3.069 301 T HA 0.084 4.434 4.350 -0.000 0.000 0.252 301 T C 1.143 175.944 174.700 0.169 0.000 1.053 301 T CA 0.418 62.564 62.100 0.077 0.000 0.964 301 T CB -0.175 68.724 68.868 0.051 0.000 1.005 301 T HN 0.465 nan 8.240 nan 0.000 0.532 302 H N 0.669 119.741 119.070 0.003 0.000 2.524 302 H HA 0.100 4.656 4.556 -0.000 0.000 0.282 302 H C 2.074 177.400 175.328 -0.003 0.000 1.016 302 H CA 0.609 56.656 56.048 -0.002 0.000 1.270 302 H CB 0.359 30.117 29.762 -0.007 0.000 1.394 302 H HN 0.401 nan 8.280 nan 0.000 0.568 303 S N 0.533 116.303 115.700 0.118 0.000 2.402 303 S HA -0.160 4.310 4.470 -0.000 0.000 0.229 303 S C 2.051 176.744 174.600 0.155 0.000 1.021 303 S CA 0.824 59.052 58.200 0.047 0.000 0.974 303 S CB -0.002 63.159 63.200 -0.064 0.000 0.800 303 S HN 0.351 nan 8.310 nan 0.000 0.484 304 Q N 1.520 121.443 119.800 0.204 0.000 2.046 304 Q HA 0.050 4.390 4.340 -0.000 0.000 0.200 304 Q C 1.845 177.896 176.000 0.084 0.000 0.975 304 Q CA 1.488 57.392 55.803 0.170 0.000 0.836 304 Q CB -0.400 28.367 28.738 0.048 0.000 0.896 304 Q HN 0.599 nan 8.270 nan 0.000 0.428 305 I N -0.263 120.337 120.570 0.051 0.000 2.315 305 I HA -0.223 3.947 4.170 -0.000 0.000 0.248 305 I C 2.243 178.358 176.117 -0.004 0.000 1.117 305 I CA 0.787 62.089 61.300 0.003 0.000 1.404 305 I CB -0.345 37.629 38.000 -0.043 0.000 1.071 305 I HN 0.112 nan 8.210 nan 0.000 0.419 306 R N 0.789 121.291 120.500 0.005 0.000 2.096 306 R HA -0.174 4.166 4.340 -0.000 0.000 0.235 306 R C 2.141 178.436 176.300 -0.009 0.000 1.127 306 R CA 1.316 57.410 56.100 -0.011 0.000 0.968 306 R CB -0.369 29.924 30.300 -0.012 0.000 0.861 306 R HN 0.307 nan 8.270 nan 0.000 0.440 307 E N 0.191 120.403 120.200 0.019 0.000 2.107 307 E HA -0.068 4.282 4.350 -0.000 0.000 0.191 307 E C 1.964 178.572 176.600 0.013 0.000 0.982 307 E CA 0.626 57.040 56.400 0.025 0.000 0.809 307 E CB 0.007 29.770 29.700 0.105 0.000 0.756 307 E HN -0.007 nan 8.360 nan 0.000 0.459 308 V N 0.625 120.548 119.914 0.015 0.000 2.427 308 V HA -0.197 3.923 4.120 -0.000 0.000 0.248 308 V C 1.785 177.876 176.094 -0.006 0.000 1.051 308 V CA 1.334 63.636 62.300 0.004 0.000 1.048 308 V CB -0.354 31.468 31.823 -0.001 0.000 0.666 308 V HN 0.272 nan 8.190 nan 0.000 0.456 309 Q N -0.354 119.437 119.800 -0.015 0.000 2.763 309 Q HA 0.095 4.434 4.340 -0.000 0.000 0.248 309 Q C 0.578 176.557 176.000 -0.034 0.000 1.149 309 Q CA -0.261 55.528 55.803 -0.024 0.000 0.781 309 Q CB -0.125 28.596 28.738 -0.029 0.000 4.267 309 Q HN 0.501 nan 8.270 nan 0.000 0.430 310 M N 0.730 120.303 119.600 -0.044 0.000 3.174 310 M HA 0.067 4.546 4.480 -0.000 0.000 0.346 310 M C 0.469 176.700 176.300 -0.116 0.000 1.802 310 M CA 0.514 55.768 55.300 -0.077 0.000 1.477 310 M CB -1.342 31.217 32.600 -0.067 0.000 1.909 310 M HN 0.408 nan 8.290 nan 0.000 0.476 311 G N 4.038 112.778 108.800 -0.101 0.000 2.641 311 G HA2 0.194 4.154 3.960 -0.000 0.000 0.278 311 G HA3 0.194 4.154 3.960 -0.000 0.000 0.278 311 G C 0.664 175.454 174.900 -0.183 0.000 0.655 311 G CA -0.337 44.711 45.100 -0.085 0.000 2.105 311 G HN 1.246 nan 8.290 nan 0.000 0.558 312 C N 0.802 119.983 119.300 -0.199 0.000 1.833 312 C HA -0.167 4.293 4.460 -0.000 0.000 0.420 312 C C 1.420 176.267 174.990 -0.238 0.000 1.476 312 C CA -0.426 58.448 59.018 -0.240 0.000 1.582 312 C CB -0.365 27.321 27.740 -0.089 0.000 2.810 312 C HN 0.738 nan 8.230 nan 0.000 0.542 313 H N 1.644 120.736 119.070 0.036 0.000 2.525 313 H HA 0.291 4.847 4.556 -0.000 0.000 0.275 313 H C 0.575 175.938 175.328 0.059 0.000 0.984 313 H CA 1.065 57.142 56.048 0.048 0.000 1.264 313 H CB 0.094 29.873 29.762 0.028 0.000 1.432 313 H HN 0.746 nan 8.280 nan 0.000 0.549 314 L N 1.103 122.405 121.223 0.131 0.000 2.409 314 L HA 0.421 4.761 4.340 -0.000 0.000 0.272 314 L C -1.597 175.302 176.870 0.049 0.000 0.980 314 L CA -0.586 54.313 54.840 0.100 0.000 0.826 314 L CB 2.552 44.676 42.059 0.108 0.000 1.268 314 L HN -0.013 nan 8.230 nan 0.000 0.407 315 L N 5.651 126.896 121.223 0.036 0.000 2.365 315 L HA 0.696 5.036 4.340 -0.000 0.000 0.273 315 L C -1.437 175.427 176.870 -0.009 0.000 1.000 315 L CA -0.686 54.150 54.840 -0.007 0.000 0.819 315 L CB 2.215 44.255 42.059 -0.031 0.000 1.284 315 L HN 0.421 nan 8.230 nan 0.000 0.418 316 V N 3.881 123.782 119.914 -0.023 0.000 2.487 316 V HA 0.893 5.013 4.120 -0.000 0.000 0.298 316 V C -0.122 175.942 176.094 -0.050 0.000 1.028 316 V CA -0.343 61.948 62.300 -0.015 0.000 0.860 316 V CB 1.312 33.148 31.823 0.022 0.000 0.991 316 V HN 0.921 nan 8.190 nan 0.000 0.427 317 A N 3.107 125.885 122.820 -0.071 0.000 2.599 317 A HA 0.915 5.235 4.320 -0.000 0.000 0.290 317 A C -0.289 177.220 177.584 -0.127 0.000 1.101 317 A CA -0.379 51.594 52.037 -0.106 0.000 0.674 317 A CB 1.905 20.803 19.000 -0.169 0.000 1.277 317 A HN 0.861 nan 8.150 nan 0.000 0.419 318 T N -0.756 113.708 114.554 -0.150 0.000 2.907 318 T HA 0.564 4.914 4.350 -0.000 0.000 0.284 318 T C -2.161 172.326 174.700 -0.355 0.000 1.004 318 T CA -1.649 60.285 62.100 -0.276 0.000 1.063 318 T CB 1.292 70.031 68.868 -0.215 0.000 0.992 318 T HN 0.215 nan 8.240 nan 0.000 0.483 319 P HA -0.092 nan 4.420 nan 0.000 0.216 319 P C 1.817 178.984 177.300 -0.221 0.000 1.154 319 P CA 1.449 64.307 63.100 -0.403 0.000 0.865 319 P CB -0.287 31.105 31.700 -0.513 0.000 0.789 320 G N -0.548 108.117 108.800 -0.225 0.000 2.404 320 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.215 320 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.215 320 G C 1.831 176.753 174.900 0.036 0.000 1.174 320 G CA 0.402 45.523 45.100 0.035 0.000 0.780 320 G HN 0.104 nan 8.290 nan 0.000 0.537 321 R N 0.056 120.558 120.500 0.003 0.000 2.092 321 R HA 0.152 4.492 4.340 -0.000 0.000 0.231 321 R C 2.514 178.837 176.300 0.037 0.000 1.119 321 R CA 0.428 56.557 56.100 0.048 0.000 0.970 321 R CB -0.964 29.321 30.300 -0.025 0.000 0.864 321 R HN 0.417 nan 8.270 nan 0.000 0.440 322 L N 0.357 121.538 121.223 -0.069 0.000 1.989 322 L HA -0.204 4.136 4.340 -0.000 0.000 0.211 322 L C 2.179 179.078 176.870 0.048 0.000 1.071 322 L CA 1.491 56.295 54.840 -0.060 0.000 0.749 322 L CB -0.390 41.612 42.059 -0.096 0.000 0.890 322 L HN -0.026 nan 8.230 nan 0.000 0.431 323 V N 0.249 120.183 119.914 0.033 0.000 2.324 323 V HA -0.354 3.766 4.120 -0.000 0.000 0.250 323 V C 2.191 178.335 176.094 0.084 0.000 1.060 323 V CA 2.176 64.506 62.300 0.050 0.000 1.042 323 V CB -0.681 31.169 31.823 0.045 0.000 0.650 323 V HN 0.514 nan 8.190 nan 0.000 0.450 324 D N -0.447 120.030 120.400 0.127 0.000 2.104 324 D HA -0.159 4.481 4.640 -0.000 0.000 0.194 324 D C 1.959 178.328 176.300 0.115 0.000 0.994 324 D CA 1.406 55.480 54.000 0.124 0.000 0.830 324 D CB -0.352 40.551 40.800 0.172 0.000 0.959 324 D HN 0.440 nan 8.370 nan 0.000 0.452 325 F N 0.635 120.562 119.950 -0.038 0.000 2.234 325 F HA 0.018 4.544 4.527 -0.000 0.000 0.299 325 F C 2.371 178.139 175.800 -0.054 0.000 1.087 325 F CA 0.362 58.332 58.000 -0.050 0.000 1.340 325 F CB -0.358 38.605 39.000 -0.061 0.000 1.031 325 F HN -0.046 nan 8.300 nan 0.000 0.500 326 I N -0.426 120.221 120.570 0.130 0.000 2.233 326 I HA -0.237 3.933 4.170 -0.000 0.000 0.243 326 I C 2.152 178.276 176.117 0.011 0.000 1.093 326 I CA 1.335 62.661 61.300 0.043 0.000 1.380 326 I CB -0.468 37.548 38.000 0.027 0.000 1.067 326 I HN 0.099 nan 8.210 nan 0.000 0.413 327 E N 0.626 120.835 120.200 0.015 0.000 2.265 327 E HA -0.172 4.178 4.350 -0.000 0.000 0.196 327 E C 1.399 177.983 176.600 -0.027 0.000 0.996 327 E CA 0.705 57.104 56.400 -0.003 0.000 0.832 327 E CB 0.177 29.881 29.700 0.006 0.000 0.756 327 E HN 0.198 nan 8.360 nan 0.000 0.491 328 K N 0.517 120.885 120.400 -0.054 0.000 2.417 328 K HA 0.038 4.358 4.320 -0.000 0.000 0.196 328 K C 0.151 176.698 176.600 -0.088 0.000 1.023 328 K CA -0.055 56.175 56.287 -0.095 0.000 1.122 328 K CB 0.054 32.444 32.500 -0.183 0.000 0.850 328 K HN 0.043 nan 8.250 nan 0.000 0.521 329 N N 0.914 119.580 118.700 -0.057 0.000 2.714 329 N HA -0.176 4.564 4.740 -0.000 0.000 0.250 329 N C 0.505 175.973 175.510 -0.070 0.000 1.117 329 N CA 0.728 53.747 53.050 -0.053 0.000 0.719 329 N CB -0.266 38.198 38.487 -0.038 0.000 1.081 329 N HN 0.009 nan 8.380 nan 0.000 0.557 330 K N -0.403 119.954 120.400 -0.072 0.000 2.262 330 K HA 0.278 4.598 4.320 -0.000 0.000 0.200 330 K C 0.526 177.122 176.600 -0.006 0.000 1.049 330 K CA 0.784 57.039 56.287 -0.053 0.000 0.979 330 K CB 0.653 33.077 32.500 -0.127 0.000 0.773 330 K HN 0.451 nan 8.250 nan 0.000 0.474 331 I N 0.152 120.718 120.570 -0.007 0.000 2.569 331 I HA 0.112 4.282 4.170 -0.000 0.000 0.290 331 I C -0.750 175.289 176.117 -0.131 0.000 1.088 331 I CA -0.701 60.559 61.300 -0.066 0.000 1.047 331 I CB 2.399 40.418 38.000 0.031 0.000 1.237 331 I HN -0.207 nan 8.210 nan 0.000 0.421 332 S N 5.757 121.294 115.700 -0.271 0.000 2.503 332 S HA 0.650 5.120 4.470 -0.000 0.000 0.301 332 S C -0.094 174.486 174.600 -0.034 0.000 1.087 332 S CA -0.575 57.512 58.200 -0.189 0.000 1.042 332 S CB 1.280 64.281 63.200 -0.332 0.000 1.043 332 S HN 0.609 nan 8.310 nan 0.000 0.489 333 L N 3.816 125.061 121.223 0.036 0.000 2.965 333 L HA 0.376 4.715 4.340 -0.000 0.000 0.254 333 L C 1.385 178.307 176.870 0.085 0.000 1.220 333 L CA 0.001 54.885 54.840 0.073 0.000 1.023 333 L CB -0.018 42.050 42.059 0.016 0.000 1.355 333 L HN 0.712 nan 8.230 nan 0.000 0.545 334 E N 0.292 120.564 120.200 0.120 0.000 2.472 334 E HA -0.081 4.269 4.350 -0.000 0.000 0.200 334 E C 0.587 177.002 176.600 -0.309 0.000 1.046 334 E CA 1.113 57.458 56.400 -0.091 0.000 0.871 334 E CB 0.166 29.781 29.700 -0.141 0.000 0.806 334 E HN 0.481 nan 8.360 nan 0.000 0.533 335 F N -0.999 119.035 119.950 0.139 0.000 2.772 335 F HA 0.180 4.707 4.527 0.000 0.000 0.316 335 F C 0.444 176.301 175.800 0.095 0.000 1.114 335 F CA -0.711 57.352 58.000 0.105 0.000 1.191 335 F CB 0.641 39.716 39.000 0.125 0.000 1.065 335 F HN -0.095 nan 8.300 nan 0.000 0.534 336 C N 2.361 121.780 119.300 0.198 0.000 2.416 336 C HA 0.223 4.683 4.460 -0.000 0.000 0.355 336 C C 1.405 176.407 174.990 0.021 0.000 1.211 336 C CA -0.082 59.020 59.018 0.140 0.000 1.699 336 C CB -0.975 26.823 27.740 0.097 0.000 2.310 336 C HN 0.530 nan 8.230 nan 0.000 0.539 337 K N 3.343 123.715 120.400 -0.047 0.000 2.355 337 K HA 0.153 4.473 4.320 -0.000 0.000 0.198 337 K C -0.948 175.250 176.600 -0.670 0.000 1.039 337 K CA 0.454 56.500 56.287 -0.402 0.000 1.075 337 K CB 0.503 32.650 32.500 -0.588 0.000 0.870 337 K HN 0.699 nan 8.250 nan 0.000 0.540 338 Y N 0.862 121.180 120.300 0.029 0.000 2.326 338 Y HA 0.442 4.992 4.550 0.000 0.000 0.329 338 Y C -0.530 175.373 175.900 0.006 0.000 0.973 338 Y CA -1.118 56.991 58.100 0.015 0.000 1.162 338 Y CB 1.283 39.757 38.460 0.024 0.000 1.147 338 Y HN -0.108 nan 8.280 nan 0.000 0.456 339 I N 3.505 124.127 120.570 0.087 0.000 2.545 339 I HA 0.816 4.986 4.170 -0.000 0.000 0.292 339 I C -1.713 174.401 176.117 -0.004 0.000 1.040 339 I CA -0.961 60.352 61.300 0.022 0.000 1.068 339 I CB 1.484 39.464 38.000 -0.033 0.000 1.251 339 I HN 0.389 nan 8.210 nan 0.000 0.424 340 V N 7.619 127.490 119.914 -0.071 0.000 2.638 340 V HA 0.422 4.542 4.120 -0.000 0.000 0.306 340 V C -0.435 175.568 176.094 -0.151 0.000 1.052 340 V CA -0.581 61.631 62.300 -0.148 0.000 0.885 340 V CB 1.906 33.456 31.823 -0.456 0.000 0.999 340 V HN 0.531 nan 8.190 nan 0.000 0.424 341 L N 3.713 124.899 121.223 -0.061 0.000 2.283 341 L HA 0.519 4.859 4.340 -0.000 0.000 0.281 341 L C -0.572 176.307 176.870 0.015 0.000 1.033 341 L CA -0.370 54.453 54.840 -0.029 0.000 0.848 341 L CB 1.230 43.302 42.059 0.023 0.000 1.226 341 L HN 0.544 nan 8.230 nan 0.000 0.429 342 D N 3.568 123.934 120.400 -0.056 0.000 2.256 342 D HA 0.132 4.772 4.640 -0.000 0.000 0.250 342 D C 0.220 176.563 176.300 0.072 0.000 1.093 342 D CA 0.152 54.150 54.000 -0.004 0.000 0.882 342 D CB 0.819 41.572 40.800 -0.079 0.000 1.185 342 D HN 0.513 nan 8.370 nan 0.000 0.437 343 E N 1.517 121.797 120.200 0.133 0.000 2.271 343 E HA -0.280 4.070 4.350 -0.000 0.000 0.223 343 E C 0.690 177.365 176.600 0.126 0.000 1.223 343 E CA 0.353 56.831 56.400 0.129 0.000 0.704 343 E CB -1.336 28.425 29.700 0.101 0.000 1.194 343 E HN 0.520 nan 8.360 nan 0.000 0.375 344 A N 1.575 124.478 122.820 0.138 0.000 1.892 344 A HA -0.318 4.002 4.320 -0.000 0.000 0.218 344 A C 1.909 179.571 177.584 0.131 0.000 1.188 344 A CA 2.271 54.387 52.037 0.132 0.000 0.631 344 A CB -0.334 18.748 19.000 0.137 0.000 0.822 344 A HN 0.579 nan 8.150 nan 0.000 0.447 345 D N -0.719 119.758 120.400 0.128 0.000 2.123 345 D HA -0.221 4.419 4.640 -0.000 0.000 0.196 345 D C 1.889 178.248 176.300 0.098 0.000 0.992 345 D CA 1.366 55.431 54.000 0.107 0.000 0.833 345 D CB -0.611 40.254 40.800 0.108 0.000 0.954 345 D HN 0.328 nan 8.370 nan 0.000 0.455 346 R N 0.054 120.619 120.500 0.108 0.000 2.096 346 R HA 0.030 4.370 4.340 -0.000 0.000 0.235 346 R C 2.310 178.696 176.300 0.144 0.000 1.127 346 R CA 0.869 57.033 56.100 0.106 0.000 0.968 346 R CB -0.371 29.993 30.300 0.106 0.000 0.861 346 R HN 0.352 nan 8.270 nan 0.000 0.440 347 M N 0.108 119.825 119.600 0.196 0.000 2.175 347 M HA -0.139 4.341 4.480 -0.000 0.000 0.264 347 M C 2.283 178.729 176.300 0.243 0.000 1.063 347 M CA 1.368 56.876 55.300 0.346 0.000 1.119 347 M CB -0.242 32.535 32.600 0.295 0.000 1.377 347 M HN 0.080 nan 8.290 nan 0.000 0.415 348 L N -0.236 121.074 121.223 0.144 0.000 2.056 348 L HA -0.213 4.127 4.340 -0.000 0.000 0.207 348 L C 1.956 178.835 176.870 0.016 0.000 1.078 348 L CA 1.040 55.930 54.840 0.083 0.000 0.749 348 L CB -0.946 41.154 42.059 0.068 0.000 0.901 348 L HN 0.253 nan 8.230 nan 0.000 0.433 349 D N 0.212 120.622 120.400 0.017 0.000 2.123 349 D HA -0.202 4.437 4.640 -0.000 0.000 0.196 349 D C 2.194 178.448 176.300 -0.077 0.000 0.992 349 D CA 1.463 55.453 54.000 -0.016 0.000 0.833 349 D CB -0.129 40.675 40.800 0.006 0.000 0.954 349 D HN 0.298 nan 8.370 nan 0.000 0.455 350 M N -0.928 118.599 119.600 -0.123 0.000 2.659 350 M HA 0.100 4.580 4.480 -0.000 0.000 0.243 350 M C 0.940 176.925 176.300 -0.524 0.000 1.111 350 M CA 0.716 55.828 55.300 -0.313 0.000 1.070 350 M CB 0.376 32.762 32.600 -0.358 0.000 1.525 350 M HN 0.104 nan 8.290 nan 0.000 0.517 351 G N 0.251 108.853 108.800 -0.330 0.000 2.171 351 G HA2 -0.255 3.704 3.960 -0.000 0.000 0.238 351 G HA3 -0.255 3.704 3.960 -0.000 0.000 0.238 351 G C 0.184 174.940 174.900 -0.240 0.000 1.039 351 G CA -0.397 44.550 45.100 -0.255 0.000 0.759 351 G HN 0.554 nan 8.290 nan 0.000 0.501 352 F N -0.183 119.786 119.950 0.031 0.000 2.765 352 F HA 0.222 4.749 4.527 -0.000 0.000 0.302 352 F C 2.123 177.949 175.800 0.044 0.000 1.111 352 F CA 0.584 58.605 58.000 0.034 0.000 1.359 352 F CB 0.345 39.363 39.000 0.031 0.000 1.097 352 F HN 0.422 nan 8.300 nan 0.000 0.577 353 E N 1.636 121.956 120.200 0.199 0.000 2.130 353 E HA -0.216 4.134 4.350 -0.000 0.000 0.196 353 E C -0.846 175.847 176.600 0.156 0.000 0.998 353 E CA 1.527 58.028 56.400 0.168 0.000 0.806 353 E CB -0.682 29.087 29.700 0.116 0.000 0.738 353 E HN 0.221 nan 8.360 nan 0.000 0.459 354 P HA -0.151 nan 4.420 nan 0.000 0.215 354 P C 0.977 178.344 177.300 0.111 0.000 1.157 354 P CA 1.448 64.614 63.100 0.109 0.000 0.868 354 P CB 0.044 31.798 31.700 0.089 0.000 0.788 355 Q N -0.649 119.233 119.800 0.138 0.000 2.050 355 Q HA -0.106 4.234 4.340 -0.000 0.000 0.202 355 Q C 2.193 178.221 176.000 0.047 0.000 0.980 355 Q CA 1.416 57.278 55.803 0.097 0.000 0.840 355 Q CB -1.198 27.614 28.738 0.123 0.000 0.898 355 Q HN 0.269 nan 8.270 nan 0.000 0.424 356 I N 0.131 120.741 120.570 0.066 0.000 2.226 356 I HA -0.279 3.891 4.170 -0.000 0.000 0.245 356 I C 2.173 178.265 176.117 -0.041 0.000 1.100 356 I CA 0.970 62.269 61.300 -0.002 0.000 1.374 356 I CB -0.221 37.815 38.000 0.059 0.000 1.057 356 I HN 0.169 nan 8.210 nan 0.000 0.413 357 R N 0.865 121.425 120.500 0.099 0.000 2.081 357 R HA -0.180 4.160 4.340 -0.000 0.000 0.235 357 R C 2.221 178.553 176.300 0.054 0.000 1.131 357 R CA 1.219 57.423 56.100 0.173 0.000 0.960 357 R CB -0.617 29.817 30.300 0.225 0.000 0.856 357 R HN 0.225 nan 8.270 nan 0.000 0.436 358 K N 1.351 121.775 120.400 0.040 0.000 1.985 358 K HA -0.063 4.257 4.320 -0.000 0.000 0.210 358 K C 2.076 178.663 176.600 -0.022 0.000 1.047 358 K CA 1.358 57.656 56.287 0.018 0.000 0.932 358 K CB -0.511 32.005 32.500 0.027 0.000 0.716 358 K HN 0.079 nan 8.250 nan 0.000 0.439 359 I N 0.333 120.875 120.570 -0.047 0.000 2.163 359 I HA -0.287 3.883 4.170 -0.000 0.000 0.243 359 I C 2.257 178.303 176.117 -0.119 0.000 1.085 359 I CA 1.403 62.658 61.300 -0.075 0.000 1.347 359 I CB -0.222 37.725 38.000 -0.090 0.000 1.044 359 I HN 0.179 nan 8.210 nan 0.000 0.408 360 I N 0.542 120.988 120.570 -0.206 0.000 2.193 360 I HA -0.238 3.932 4.170 -0.000 0.000 0.240 360 I C 2.279 178.290 176.117 -0.176 0.000 1.084 360 I CA 1.600 62.717 61.300 -0.306 0.000 1.365 360 I CB -0.284 37.253 38.000 -0.771 0.000 1.064 360 I HN 0.348 nan 8.210 nan 0.000 0.410 361 E N 0.591 120.738 120.200 -0.087 0.000 2.498 361 E HA 0.048 4.398 4.350 -0.000 0.000 0.203 361 E C 0.361 176.967 176.600 0.011 0.000 1.013 361 E CA 0.074 56.480 56.400 0.010 0.000 0.927 361 E CB 0.217 29.991 29.700 0.122 0.000 1.012 361 E HN 0.516 nan 8.360 nan 0.000 0.482 362 E N 0.673 120.871 120.200 -0.004 0.000 3.105 362 E HA 0.226 4.576 4.350 -0.000 0.000 0.198 362 E C -0.397 176.198 176.600 -0.008 0.000 0.976 362 E CA -0.131 56.270 56.400 0.002 0.000 1.219 362 E CB 1.223 30.932 29.700 0.016 0.000 1.081 362 E HN -0.015 nan 8.360 nan 0.000 0.464 363 S N 1.088 116.776 115.700 -0.020 0.000 2.941 363 S HA 0.102 4.572 4.470 -0.000 0.000 0.251 363 S C 0.345 174.931 174.600 -0.023 0.000 1.029 363 S CA -0.471 57.717 58.200 -0.019 0.000 1.062 363 S CB 0.147 63.332 63.200 -0.024 0.000 0.977 363 S HN 0.255 nan 8.310 nan 0.000 0.552 364 N N 1.401 120.084 118.700 -0.027 0.000 2.713 364 N HA -0.191 4.549 4.740 -0.000 0.000 0.251 364 N C 0.002 175.478 175.510 -0.056 0.000 1.117 364 N CA 0.747 53.773 53.050 -0.040 0.000 0.770 364 N CB -1.121 37.346 38.487 -0.034 0.000 1.137 364 N HN 0.586 nan 8.380 nan 0.000 0.566 365 M N 1.479 121.049 119.600 -0.050 0.000 2.239 365 M HA 0.144 4.624 4.480 -0.000 0.000 0.348 365 M C -1.942 174.315 176.300 -0.071 0.000 1.239 365 M CA -0.621 54.646 55.300 -0.054 0.000 1.114 365 M CB 0.527 33.095 32.600 -0.054 0.000 1.641 365 M HN -0.211 nan 8.290 nan 0.000 0.453 366 P HA -0.030 nan 4.420 nan 0.000 0.263 366 P C -1.247 176.003 177.300 -0.083 0.000 1.175 366 P CA 0.178 63.221 63.100 -0.094 0.000 0.761 366 P CB 0.404 32.044 31.700 -0.099 0.000 0.794 367 S N 1.383 117.038 115.700 -0.076 0.000 2.751 367 S HA 0.839 5.309 4.470 -0.000 0.000 0.310 367 S C 0.562 175.114 174.600 -0.080 0.000 1.128 367 S CA -0.098 58.062 58.200 -0.068 0.000 0.931 367 S CB 1.355 64.525 63.200 -0.050 0.000 1.177 367 S HN 0.817 nan 8.310 nan 0.000 0.530 368 G N 0.997 109.744 108.800 -0.089 0.000 2.550 368 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.277 368 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.277 368 G C 0.582 175.399 174.900 -0.138 0.000 1.190 368 G CA 0.239 45.254 45.100 -0.141 0.000 0.971 368 G HN 1.424 nan 8.290 nan 0.000 0.559 369 I N 2.023 122.509 120.570 -0.140 0.000 3.241 369 I HA -0.046 4.124 4.170 -0.000 0.000 0.280 369 I C 1.734 177.815 176.117 -0.059 0.000 1.320 369 I CA 1.249 62.495 61.300 -0.089 0.000 1.413 369 I CB -0.286 37.672 38.000 -0.070 0.000 1.060 369 I HN 0.423 nan 8.210 nan 0.000 0.500 370 N N 1.190 119.843 118.700 -0.079 0.000 2.336 370 N HA 0.025 4.764 4.740 -0.000 0.000 0.189 370 N C 0.411 175.834 175.510 -0.146 0.000 1.113 370 N CA 0.257 53.253 53.050 -0.090 0.000 0.858 370 N CB 0.277 38.717 38.487 -0.079 0.000 0.970 370 N HN 0.378 nan 8.380 nan 0.000 0.471 371 R N 0.904 121.325 120.500 -0.132 0.000 2.686 371 R HA 0.243 4.583 4.340 -0.000 0.000 0.283 371 R C -1.441 174.795 176.300 -0.107 0.000 0.978 371 R CA -0.423 55.581 56.100 -0.159 0.000 0.897 371 R CB 1.704 31.940 30.300 -0.108 0.000 1.192 371 R HN -0.053 nan 8.270 nan 0.000 0.457 372 Q N 2.696 122.419 119.800 -0.128 0.000 2.341 372 Q HA 0.335 4.675 4.340 -0.000 0.000 0.268 372 Q C -1.504 174.508 176.000 0.020 0.000 1.013 372 Q CA -0.506 55.287 55.803 -0.017 0.000 0.798 372 Q CB 2.021 30.762 28.738 0.006 0.000 1.253 372 Q HN 0.598 nan 8.270 nan 0.000 0.457 373 T N 5.097 119.679 114.554 0.047 0.000 2.771 373 T HA 0.521 4.871 4.350 -0.000 0.000 0.281 373 T C -0.501 174.232 174.700 0.056 0.000 0.982 373 T CA -0.477 61.648 62.100 0.043 0.000 0.978 373 T CB 0.491 69.385 68.868 0.042 0.000 0.930 373 T HN 0.502 nan 8.240 nan 0.000 0.447 374 L N 3.414 124.670 121.223 0.055 0.000 2.365 374 L HA 0.660 5.000 4.340 -0.000 0.000 0.273 374 L C -0.400 176.491 176.870 0.036 0.000 1.000 374 L CA -0.810 54.063 54.840 0.054 0.000 0.819 374 L CB 1.904 44.076 42.059 0.189 0.000 1.284 374 L HN 0.427 nan 8.230 nan 0.000 0.418 375 M N 2.920 122.459 119.600 -0.101 0.000 2.326 375 M HA 0.530 5.010 4.480 -0.000 0.000 0.306 375 M C -1.605 174.547 176.300 -0.246 0.000 1.054 375 M CA -0.300 54.969 55.300 -0.052 0.000 0.922 375 M CB 2.375 34.956 32.600 -0.031 0.000 1.632 375 M HN 0.302 nan 8.290 nan 0.000 0.436 376 F N 0.993 120.949 119.950 0.010 0.000 2.493 376 F HA 0.622 5.149 4.527 0.000 0.000 0.329 376 F C 0.054 175.893 175.800 0.065 0.000 1.126 376 F CA -0.597 57.427 58.000 0.041 0.000 0.937 376 F CB 2.133 41.172 39.000 0.064 0.000 1.146 376 F HN 0.387 nan 8.300 nan 0.000 0.442 377 S N 1.088 116.910 115.700 0.202 0.000 2.536 377 S HA 0.688 5.158 4.470 -0.000 0.000 0.271 377 S C 0.312 175.009 174.600 0.162 0.000 1.134 377 S CA -0.019 58.293 58.200 0.188 0.000 0.897 377 S CB 1.557 64.881 63.200 0.207 0.000 1.094 377 S HN 0.758 nan 8.310 nan 0.000 0.473 378 A N 2.650 125.559 122.820 0.147 0.000 1.970 378 A HA 0.254 4.574 4.320 -0.000 0.000 0.216 378 A C 1.282 178.944 177.584 0.129 0.000 1.170 378 A CA 1.404 53.513 52.037 0.121 0.000 0.645 378 A CB -0.457 18.605 19.000 0.103 0.000 0.816 378 A HN 0.713 nan 8.150 nan 0.000 0.447 379 T N -2.750 111.899 114.554 0.157 0.000 2.942 379 T HA 0.546 4.896 4.350 -0.000 0.000 0.289 379 T C -1.299 173.584 174.700 0.304 0.000 1.044 379 T CA -0.484 61.727 62.100 0.185 0.000 1.023 379 T CB 1.020 69.967 68.868 0.132 0.000 1.123 379 T HN 0.179 nan 8.240 nan 0.000 0.512 380 F N 3.891 123.897 119.950 0.093 0.000 2.564 380 F HA 0.482 5.009 4.527 -0.000 0.000 0.329 380 F C -2.418 173.416 175.800 0.057 0.000 1.458 380 F CA -2.349 55.710 58.000 0.100 0.000 1.117 380 F CB 0.197 39.298 39.000 0.169 0.000 1.383 380 F HN 0.394 nan 8.300 nan 0.000 0.571 381 P HA 0.093 nan 4.420 nan 0.000 0.278 381 P C 0.544 177.664 177.300 -0.300 0.000 1.270 381 P CA 0.143 63.163 63.100 -0.132 0.000 0.800 381 P CB 0.825 32.490 31.700 -0.059 0.000 1.142 382 K N 0.297 120.575 120.400 -0.204 0.000 2.062 382 K HA -0.137 4.183 4.320 -0.000 0.000 0.205 382 K C 1.888 178.366 176.600 -0.204 0.000 1.051 382 K CA 1.517 57.674 56.287 -0.217 0.000 0.941 382 K CB -0.369 32.054 32.500 -0.129 0.000 0.719 382 K HN 0.566 nan 8.250 nan 0.000 0.440 383 E N 1.547 121.664 120.200 -0.138 0.000 2.085 383 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 383 E C 1.934 178.469 176.600 -0.107 0.000 0.994 383 E CA 1.050 57.391 56.400 -0.098 0.000 0.801 383 E CB -0.246 29.424 29.700 -0.051 0.000 0.743 383 E HN 0.122 nan 8.360 nan 0.000 0.453 384 I N 1.450 121.941 120.570 -0.133 0.000 2.546 384 I HA -0.163 4.007 4.170 -0.000 0.000 0.255 384 I C 2.358 178.363 176.117 -0.187 0.000 1.163 384 I CA 1.210 62.459 61.300 -0.086 0.000 1.457 384 I CB -1.000 37.007 38.000 0.011 0.000 1.092 384 I HN 0.232 nan 8.210 nan 0.000 0.434 385 Q N 0.470 119.993 119.800 -0.461 0.000 2.167 385 Q HA -0.162 4.178 4.340 -0.000 0.000 0.202 385 Q C 2.166 178.057 176.000 -0.182 0.000 0.970 385 Q CA 1.229 56.745 55.803 -0.480 0.000 0.855 385 Q CB 0.062 28.441 28.738 -0.598 0.000 0.911 385 Q HN 0.479 nan 8.270 nan 0.000 0.438 386 K N 0.334 120.633 120.400 -0.167 0.000 2.007 386 K HA -0.118 4.202 4.320 -0.000 0.000 0.206 386 K C 2.081 178.585 176.600 -0.160 0.000 1.047 386 K CA 0.739 56.945 56.287 -0.134 0.000 0.937 386 K CB -0.297 32.128 32.500 -0.126 0.000 0.718 386 K HN 0.056 nan 8.250 nan 0.000 0.438 387 L N 1.665 122.804 121.223 -0.139 0.000 2.034 387 L HA -0.279 4.061 4.340 -0.000 0.000 0.217 387 L C 2.279 179.074 176.870 -0.126 0.000 1.077 387 L CA 2.139 56.894 54.840 -0.143 0.000 0.769 387 L CB -0.711 41.374 42.059 0.044 0.000 0.890 387 L HN 0.207 nan 8.230 nan 0.000 0.435 388 A N -0.968 121.819 122.820 -0.055 0.000 1.908 388 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 388 A C 2.429 179.989 177.584 -0.040 0.000 1.181 388 A CA 1.995 53.981 52.037 -0.085 0.000 0.627 388 A CB -1.154 17.766 19.000 -0.134 0.000 0.818 388 A HN 0.607 nan 8.150 nan 0.000 0.445 389 A N 0.087 122.894 122.820 -0.021 0.000 1.898 389 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 389 A C 1.713 179.271 177.584 -0.044 0.000 1.181 389 A CA 1.721 53.778 52.037 0.032 0.000 0.620 389 A CB -0.466 18.534 19.000 0.001 0.000 0.819 389 A HN 0.503 nan 8.150 nan 0.000 0.442 390 D N -1.092 119.167 120.400 -0.235 0.000 2.183 390 D HA -0.034 4.606 4.640 -0.000 0.000 0.203 390 D C 1.370 177.505 176.300 -0.274 0.000 0.969 390 D CA 1.045 54.807 54.000 -0.397 0.000 0.842 390 D CB -0.249 40.042 40.800 -0.849 0.000 0.957 390 D HN 0.648 nan 8.370 nan 0.000 0.484 391 F N 0.007 119.982 119.950 0.041 0.000 2.694 391 F HA 0.223 4.750 4.527 0.000 0.000 0.292 391 F C 1.121 176.956 175.800 0.059 0.000 1.121 391 F CA -0.405 57.618 58.000 0.038 0.000 1.352 391 F CB 0.690 39.699 39.000 0.016 0.000 1.107 391 F HN -0.286 nan 8.300 nan 0.000 0.597 392 L N -0.107 121.254 121.223 0.231 0.000 2.375 392 L HA 0.288 4.628 4.340 -0.000 0.000 0.268 392 L C -1.154 175.892 176.870 0.293 0.000 1.058 392 L CA -1.041 53.930 54.840 0.218 0.000 0.803 392 L CB 0.933 43.054 42.059 0.105 0.000 1.212 392 L HN -0.038 nan 8.230 nan 0.000 0.451 393 Y N 1.498 121.870 120.300 0.120 0.000 2.331 393 Y HA 0.248 4.798 4.550 -0.000 0.000 0.334 393 Y C 0.333 176.189 175.900 -0.075 0.000 0.960 393 Y CA -1.203 56.919 58.100 0.037 0.000 1.130 393 Y CB 0.867 39.334 38.460 0.011 0.000 1.164 393 Y HN 0.693 nan 8.280 nan 0.000 0.458 394 N N 4.728 122.889 118.700 -0.899 0.000 2.698 394 N HA -0.321 4.419 4.740 -0.000 0.000 0.258 394 N C -1.266 173.694 175.510 -0.917 0.000 0.978 394 N CA 0.678 52.908 53.050 -1.366 0.000 0.777 394 N CB -1.036 36.556 38.487 -1.491 0.000 0.907 394 N HN 0.634 nan 8.380 nan 0.000 0.543 395 Y N -0.975 119.053 120.300 -0.455 0.000 2.379 395 Y HA 0.521 5.071 4.550 -0.000 0.000 0.337 395 Y C 0.480 176.362 175.900 -0.031 0.000 1.238 395 Y CA -1.012 56.990 58.100 -0.163 0.000 1.405 395 Y CB 0.578 39.028 38.460 -0.017 0.000 1.310 395 Y HN 0.020 nan 8.280 nan 0.000 0.569 396 I N 4.177 124.901 120.570 0.256 0.000 2.331 396 I HA 0.163 4.332 4.170 -0.000 0.000 0.292 396 I C -0.895 175.446 176.117 0.373 0.000 0.998 396 I CA -0.446 60.992 61.300 0.230 0.000 1.267 396 I CB 0.682 38.756 38.000 0.124 0.000 1.386 396 I HN 0.587 nan 8.210 nan 0.000 0.476 397 F N 8.839 128.891 119.950 0.170 0.000 2.404 397 F HA 0.575 5.102 4.527 0.000 0.000 0.354 397 F C -0.219 175.581 175.800 -0.000 0.000 1.122 397 F CA -0.841 57.231 58.000 0.119 0.000 1.080 397 F CB 0.852 39.938 39.000 0.145 0.000 1.131 397 F HN 0.300 nan 8.300 nan 0.000 0.471 398 M N 4.942 124.146 119.600 -0.659 0.000 2.457 398 M HA 0.657 5.137 4.480 -0.000 0.000 0.300 398 M C -1.158 174.719 176.300 -0.705 0.000 1.141 398 M CA -0.710 54.279 55.300 -0.518 0.000 0.901 398 M CB 2.104 34.561 32.600 -0.238 0.000 1.687 398 M HN 0.501 nan 8.290 nan 0.000 0.449 399 T N -0.302 113.966 114.554 -0.476 0.000 2.893 399 T HA 0.782 5.132 4.350 -0.000 0.000 0.293 399 T C -0.985 173.622 174.700 -0.155 0.000 1.027 399 T CA -0.775 61.118 62.100 -0.345 0.000 0.988 399 T CB 2.029 70.723 68.868 -0.290 0.000 1.043 399 T HN 0.591 nan 8.240 nan 0.000 0.461 400 V N 2.518 122.377 119.914 -0.092 0.000 2.483 400 V HA 0.823 4.943 4.120 -0.000 0.000 0.297 400 V C 0.850 176.940 176.094 -0.008 0.000 1.027 400 V CA 0.575 62.856 62.300 -0.033 0.000 0.855 400 V CB 0.620 32.440 31.823 -0.004 0.000 0.995 400 V HN 1.663 nan 8.190 nan 0.000 0.424 401 G N 0.000 108.800 108.800 0.001 0.000 5.446 401 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 401 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 401 G CA 0.000 45.108 45.100 0.014 0.000 0.502 401 G HN 0.000 nan 8.290 nan 0.000 0.925