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 1ojl_1_D DATA FIRST_RESID 140 DATA SEQUENCE HMIGSSPAMQ HLLNEIAMVA PSDATVLIHG DSGTGKELVA RALHACSARS DATA SEQUENCE DRPLVTLNCA ALNESLLESE LFGHEKGAFT GADKRREGRF VEADGGTLFL DATA SEQUENCE DEIGDISPLM QVRLLRAIQE REVQRVGSNQ TISVDVRLIA ATHRDLAEEV DATA SEQUENCE SAGRFRQDLY YRLNVVAIEM PSLRQRREDI PLLADHFLRR FAERNRKVVK DATA SEQUENCE GFTPQAMDLL IHYDWPGNIR ELENAIERAV VLLTGEYISE RELPLAIAAT DATA SEQUENCE PIKXXXXXEI QPLVDVEKEV ILAALEKTGG NKTEAARQLG ITRKTLLAKL DATA SEQUENCE SR 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 140 H HA 0.000 nan 4.556 nan 0.000 0.296 140 H C 0.000 175.276 175.328 -0.087 0.000 0.993 140 H CA 0.000 56.015 56.048 -0.054 0.000 1.023 140 H CB 0.000 nan 29.762 nan 0.000 1.292 141 M N 2.413 121.961 119.600 -0.088 0.000 2.364 141 M HA 0.744 5.223 4.480 -0.001 0.000 0.334 141 M C -0.850 175.376 176.300 -0.123 0.000 1.107 141 M CA -1.060 54.169 55.300 -0.119 0.000 0.988 141 M CB 1.731 34.279 32.600 -0.088 0.000 1.673 141 M HN 0.456 nan 8.290 nan 0.000 0.441 142 I N 3.250 123.711 120.570 -0.182 0.000 2.906 142 I HA 0.020 4.189 4.170 -0.001 0.000 0.301 142 I C 1.251 177.315 176.117 -0.089 0.000 1.221 142 I CA 1.339 62.546 61.300 -0.154 0.000 1.435 142 I CB 0.106 37.981 38.000 -0.208 0.000 1.345 142 I HN 0.908 nan 8.210 nan 0.000 0.558 143 G N 4.442 113.204 108.800 -0.063 0.000 2.516 143 G HA2 0.381 4.341 3.960 -0.001 0.000 0.276 143 G HA3 0.381 4.341 3.960 -0.001 0.000 0.276 143 G C -0.135 174.749 174.900 -0.027 0.000 1.390 143 G CA -0.180 44.896 45.100 -0.040 0.000 1.050 143 G HN 0.779 nan 8.290 nan 0.000 0.519 144 S N -1.068 114.622 115.700 -0.017 0.000 2.563 144 S HA 0.441 4.911 4.470 -0.001 0.000 0.284 144 S C 0.301 174.897 174.600 -0.007 0.000 1.331 144 S CA 0.330 58.525 58.200 -0.008 0.000 1.047 144 S CB 0.842 64.040 63.200 -0.002 0.000 0.859 144 S HN 1.574 nan 8.310 nan 0.000 0.514 145 S N 0.596 116.294 115.700 -0.003 0.000 2.671 145 S HA 0.634 5.103 4.470 -0.001 0.000 0.277 145 S C -2.512 172.091 174.600 0.004 0.000 1.165 145 S CA -1.362 56.837 58.200 -0.002 0.000 0.822 145 S CB 1.229 64.426 63.200 -0.005 0.000 1.150 145 S HN 0.464 nan 8.310 nan 0.000 0.479 146 P HA -0.139 nan 4.420 nan 0.000 0.211 146 P C 1.680 178.998 177.300 0.030 0.000 1.179 146 P CA 2.369 65.473 63.100 0.007 0.000 0.910 146 P CB -0.636 31.059 31.700 -0.009 0.000 0.785 147 A N 0.029 122.867 122.820 0.030 0.000 1.884 147 A HA -0.268 4.051 4.320 -0.001 0.000 0.219 147 A C 2.448 180.076 177.584 0.073 0.000 1.197 147 A CA 3.249 55.326 52.037 0.066 0.000 0.637 147 A CB -1.760 17.265 19.000 0.042 0.000 0.827 147 A HN 0.200 nan 8.150 nan 0.000 0.450 148 M N -0.499 119.121 119.600 0.034 0.000 2.149 148 M HA -0.198 4.281 4.480 -0.001 0.000 0.261 148 M C 2.063 178.380 176.300 0.029 0.000 1.064 148 M CA 2.291 57.602 55.300 0.019 0.000 1.102 148 M CB -0.609 31.991 32.600 -0.001 0.000 1.369 148 M HN 0.612 nan 8.290 nan 0.000 0.408 149 Q N -0.763 119.062 119.800 0.041 0.000 1.921 149 Q HA -0.280 4.060 4.340 -0.001 0.000 0.208 149 Q C 2.128 178.183 176.000 0.091 0.000 0.994 149 Q CA 2.395 58.227 55.803 0.047 0.000 0.857 149 Q CB -0.635 28.126 28.738 0.039 0.000 0.925 149 Q HN 0.747 nan 8.270 nan 0.000 0.421 150 H N -0.001 119.063 119.070 -0.009 0.000 2.286 150 H HA -0.259 4.296 4.556 -0.000 0.000 0.284 150 H C 2.154 177.478 175.328 -0.007 0.000 1.116 150 H CA 1.846 57.890 56.048 -0.007 0.000 1.175 150 H CB -0.297 29.462 29.762 -0.005 0.000 1.347 150 H HN 0.398 nan 8.280 nan 0.000 0.475 151 L N 1.007 122.219 121.223 -0.019 0.000 2.013 151 L HA -0.237 4.103 4.340 -0.001 0.000 0.212 151 L C 2.552 179.372 176.870 -0.083 0.000 1.073 151 L CA 1.839 56.615 54.840 -0.107 0.000 0.753 151 L CB -0.739 41.290 42.059 -0.050 0.000 0.890 151 L HN 0.408 nan 8.230 nan 0.000 0.432 152 L N -0.014 121.187 121.223 -0.036 0.000 2.013 152 L HA -0.306 4.034 4.340 -0.001 0.000 0.212 152 L C 2.340 179.190 176.870 -0.033 0.000 1.073 152 L CA 2.042 56.864 54.840 -0.031 0.000 0.753 152 L CB -1.053 40.998 42.059 -0.014 0.000 0.890 152 L HN 0.419 nan 8.230 nan 0.000 0.432 153 N N -0.046 118.644 118.700 -0.017 0.000 2.037 153 N HA -0.249 4.491 4.740 -0.001 0.000 0.196 153 N C 1.776 177.264 175.510 -0.038 0.000 1.034 153 N CA 1.876 54.922 53.050 -0.006 0.000 0.861 153 N CB 0.023 38.538 38.487 0.047 0.000 1.039 153 N HN 0.373 nan 8.380 nan 0.000 0.427 154 E N 0.207 120.352 120.200 -0.092 0.000 2.023 154 E HA -0.211 4.139 4.350 -0.001 0.000 0.196 154 E C 2.190 178.750 176.600 -0.067 0.000 1.003 154 E CA 1.498 57.837 56.400 -0.101 0.000 0.809 154 E CB -0.353 29.244 29.700 -0.172 0.000 0.755 154 E HN 0.503 nan 8.360 nan 0.000 0.449 155 I N 1.654 122.183 120.570 -0.068 0.000 2.185 155 I HA -0.349 3.821 4.170 -0.001 0.000 0.246 155 I C 2.687 178.778 176.117 -0.043 0.000 1.088 155 I CA 1.170 62.438 61.300 -0.054 0.000 1.347 155 I CB -0.629 37.339 38.000 -0.053 0.000 1.041 155 I HN 0.100 nan 8.210 nan 0.000 0.415 156 A N 0.578 123.376 122.820 -0.037 0.000 1.841 156 A HA -0.287 4.032 4.320 -0.001 0.000 0.216 156 A C 2.296 179.864 177.584 -0.026 0.000 1.199 156 A CA 2.135 54.156 52.037 -0.028 0.000 0.621 156 A CB -0.707 18.281 19.000 -0.020 0.000 0.835 156 A HN 0.330 nan 8.150 nan 0.000 0.445 157 M N -0.512 119.073 119.600 -0.025 0.000 2.159 157 M HA -0.069 4.411 4.480 -0.001 0.000 0.263 157 M C 1.901 178.188 176.300 -0.022 0.000 1.063 157 M CA 1.468 56.757 55.300 -0.019 0.000 1.110 157 M CB -0.687 31.904 32.600 -0.015 0.000 1.374 157 M HN 0.174 nan 8.290 nan 0.000 0.411 158 V N -0.964 118.933 119.914 -0.029 0.000 2.575 158 V HA 0.012 4.132 4.120 -0.001 0.000 0.242 158 V C 2.376 178.453 176.094 -0.028 0.000 1.045 158 V CA 0.976 63.260 62.300 -0.027 0.000 1.065 158 V CB -1.220 30.584 31.823 -0.031 0.000 0.717 158 V HN 0.496 nan 8.190 nan 0.000 0.467 159 A N 0.717 123.516 122.820 -0.034 0.000 1.935 159 A HA -0.227 4.092 4.320 -0.001 0.000 0.224 159 A C -0.848 176.712 177.584 -0.039 0.000 1.324 159 A CA 1.749 53.762 52.037 -0.040 0.000 0.686 159 A CB -2.382 16.590 19.000 -0.046 0.000 0.837 159 A HN 0.478 nan 8.150 nan 0.000 0.481 160 P HA -0.074 nan 4.420 nan 0.000 0.252 160 P C 0.995 178.280 177.300 -0.025 0.000 1.126 160 P CA 1.139 64.221 63.100 -0.030 0.000 0.777 160 P CB 0.138 31.824 31.700 -0.023 0.000 0.711 161 S N 3.936 119.618 115.700 -0.030 0.000 2.420 161 S HA -0.363 4.107 4.470 -0.001 0.000 0.278 161 S C 1.742 176.338 174.600 -0.006 0.000 1.111 161 S CA 2.364 60.550 58.200 -0.024 0.000 1.315 161 S CB -0.999 62.186 63.200 -0.025 0.000 1.226 161 S HN 0.678 nan 8.310 nan 0.000 0.444 162 D N 0.979 121.379 120.400 0.000 0.000 2.218 162 D HA -0.108 4.531 4.640 -0.001 0.000 0.194 162 D C 0.492 176.803 176.300 0.018 0.000 1.007 162 D CA 1.446 55.453 54.000 0.012 0.000 0.879 162 D CB -0.357 40.448 40.800 0.009 0.000 0.918 162 D HN 0.533 nan 8.370 nan 0.000 0.449 163 A N -0.264 122.562 122.820 0.010 0.000 2.328 163 A HA 0.487 4.807 4.320 -0.001 0.000 0.284 163 A C 0.300 177.898 177.584 0.023 0.000 1.160 163 A CA -0.398 51.648 52.037 0.015 0.000 0.818 163 A CB 0.499 19.502 19.000 0.005 0.000 1.087 163 A HN 0.231 nan 8.150 nan 0.000 0.504 164 T N 1.372 115.947 114.554 0.036 0.000 2.926 164 T HA 0.437 4.787 4.350 -0.001 0.000 0.307 164 T C 0.105 174.828 174.700 0.037 0.000 1.059 164 T CA -0.211 61.919 62.100 0.050 0.000 1.122 164 T CB 0.655 69.561 68.868 0.063 0.000 0.972 164 T HN 0.495 nan 8.240 nan 0.000 0.545 165 V N 2.973 122.915 119.914 0.048 0.000 2.709 165 V HA 0.551 4.671 4.120 -0.001 0.000 0.308 165 V C -0.736 175.394 176.094 0.060 0.000 1.062 165 V CA -1.006 61.316 62.300 0.036 0.000 0.901 165 V CB 1.882 33.716 31.823 0.019 0.000 1.003 165 V HN 0.750 nan 8.190 nan 0.000 0.425 166 L N 5.998 127.248 121.223 0.046 0.000 2.316 166 L HA 0.645 4.985 4.340 -0.001 0.000 0.280 166 L C -0.595 176.326 176.870 0.087 0.000 1.006 166 L CA 0.064 54.945 54.840 0.069 0.000 0.836 166 L CB 1.035 43.112 42.059 0.030 0.000 1.221 166 L HN 0.565 nan 8.230 nan 0.000 0.418 167 I N 4.178 124.822 120.570 0.123 0.000 2.315 167 I HA 0.316 4.485 4.170 -0.001 0.000 0.291 167 I C -0.624 175.594 176.117 0.168 0.000 1.006 167 I CA -0.675 60.700 61.300 0.126 0.000 1.265 167 I CB 0.936 39.008 38.000 0.120 0.000 1.387 167 I HN 0.661 nan 8.210 nan 0.000 0.475 168 H N 4.540 123.636 119.070 0.044 0.000 2.524 168 H HA 0.831 5.387 4.556 -0.001 0.000 0.353 168 H C -0.353 175.004 175.328 0.047 0.000 1.136 168 H CA -0.135 55.938 56.048 0.041 0.000 1.193 168 H CB 2.008 31.785 29.762 0.025 0.000 1.558 168 H HN 0.875 nan 8.280 nan 0.000 0.515 169 G N 3.572 111.996 108.800 -0.626 0.000 2.307 169 G HA2 0.062 4.022 3.960 -0.001 0.000 0.348 169 G HA3 0.062 4.022 3.960 -0.001 0.000 0.348 169 G C -1.468 173.324 174.900 -0.180 0.000 1.603 169 G CA -0.831 44.032 45.100 -0.394 0.000 0.961 169 G HN 0.688 nan 8.290 nan 0.000 0.686 170 D N 0.362 120.686 120.400 -0.127 0.000 2.390 170 D HA 0.331 4.971 4.640 -0.001 0.000 0.236 170 D C 1.302 177.578 176.300 -0.040 0.000 1.189 170 D CA 1.003 54.972 54.000 -0.052 0.000 0.887 170 D CB 1.318 42.093 40.800 -0.042 0.000 1.198 170 D HN 0.665 nan 8.370 nan 0.000 0.444 171 S N -0.413 115.249 115.700 -0.065 0.000 2.603 171 S HA 0.450 4.920 4.470 -0.001 0.000 0.268 171 S C 1.043 175.621 174.600 -0.037 0.000 1.317 171 S CA 0.353 58.517 58.200 -0.060 0.000 1.012 171 S CB 1.399 64.518 63.200 -0.135 0.000 0.926 171 S HN 0.778 nan 8.310 nan 0.000 0.539 172 G N 0.715 109.509 108.800 -0.009 0.000 2.229 172 G HA2 -0.109 3.850 3.960 -0.001 0.000 0.189 172 G HA3 -0.109 3.850 3.960 -0.001 0.000 0.189 172 G C 0.251 175.168 174.900 0.030 0.000 1.000 172 G CA 0.329 45.434 45.100 0.009 0.000 0.663 172 G HN 1.475 nan 8.290 nan 0.000 0.493 173 T N -1.248 113.321 114.554 0.024 0.000 2.938 173 T HA 0.611 4.961 4.350 -0.001 0.000 0.285 173 T C 1.071 175.794 174.700 0.038 0.000 1.028 173 T CA 0.611 62.730 62.100 0.031 0.000 1.005 173 T CB 1.694 70.570 68.868 0.014 0.000 1.157 173 T HN 1.304 nan 8.240 nan 0.000 0.550 174 G N 1.396 110.215 108.800 0.033 0.000 3.401 174 G HA2 0.202 4.162 3.960 -0.001 0.000 0.251 174 G HA3 0.202 4.162 3.960 -0.001 0.000 0.251 174 G C 0.893 175.808 174.900 0.025 0.000 0.960 174 G CA -0.542 44.577 45.100 0.031 0.000 1.900 174 G HN 0.792 nan 8.290 nan 0.000 0.645 175 K N 0.295 120.725 120.400 0.050 0.000 2.026 175 K HA -0.148 4.172 4.320 -0.001 0.000 0.208 175 K C 1.904 178.537 176.600 0.056 0.000 1.048 175 K CA 1.285 57.612 56.287 0.067 0.000 0.929 175 K CB 0.085 32.657 32.500 0.121 0.000 0.713 175 K HN 0.485 nan 8.250 nan 0.000 0.439 176 E N 1.375 121.652 120.200 0.127 0.000 2.048 176 E HA -0.220 4.130 4.350 -0.001 0.000 0.202 176 E C 2.108 178.668 176.600 -0.066 0.000 1.021 176 E CA 1.457 57.925 56.400 0.114 0.000 0.825 176 E CB -0.153 29.655 29.700 0.180 0.000 0.756 176 E HN 0.184 nan 8.360 nan 0.000 0.454 177 L N 0.033 121.240 121.223 -0.026 0.000 1.990 177 L HA -0.267 4.073 4.340 -0.001 0.000 0.213 177 L C 2.527 179.341 176.870 -0.094 0.000 1.072 177 L CA 1.264 56.071 54.840 -0.055 0.000 0.755 177 L CB -0.806 41.231 42.059 -0.037 0.000 0.889 177 L HN 0.125 nan 8.230 nan 0.000 0.432 178 V N 0.207 120.072 119.914 -0.082 0.000 2.527 178 V HA -0.361 3.758 4.120 -0.001 0.000 0.255 178 V C 2.717 178.710 176.094 -0.168 0.000 1.081 178 V CA 1.851 64.094 62.300 -0.095 0.000 1.092 178 V CB -1.295 30.489 31.823 -0.064 0.000 0.673 178 V HN 0.533 nan 8.190 nan 0.000 0.470 179 A N -0.034 122.607 122.820 -0.298 0.000 1.841 179 A HA -0.191 4.129 4.320 -0.001 0.000 0.214 179 A C 2.303 179.723 177.584 -0.273 0.000 1.195 179 A CA 1.834 53.569 52.037 -0.503 0.000 0.611 179 A CB -0.538 17.708 19.000 -1.257 0.000 0.835 179 A HN 0.414 nan 8.150 nan 0.000 0.443 180 R N -0.079 120.298 120.500 -0.206 0.000 2.143 180 R HA -0.195 4.144 4.340 -0.001 0.000 0.239 180 R C 2.353 178.633 176.300 -0.032 0.000 1.126 180 R CA 2.234 58.271 56.100 -0.105 0.000 0.927 180 R CB -1.095 29.158 30.300 -0.078 0.000 0.860 180 R HN 0.489 nan 8.270 nan 0.000 0.433 181 A N 0.229 123.020 122.820 -0.047 0.000 1.948 181 A HA -0.174 4.146 4.320 -0.001 0.000 0.220 181 A C 2.307 179.876 177.584 -0.025 0.000 1.177 181 A CA 1.668 53.688 52.037 -0.029 0.000 0.636 181 A CB -0.706 18.268 19.000 -0.043 0.000 0.815 181 A HN 0.331 nan 8.150 nan 0.000 0.449 182 L N -1.447 119.749 121.223 -0.047 0.000 2.017 182 L HA -0.219 4.121 4.340 -0.001 0.000 0.208 182 L C 2.791 179.652 176.870 -0.016 0.000 1.073 182 L CA 1.864 56.677 54.840 -0.045 0.000 0.745 182 L CB -0.833 41.185 42.059 -0.068 0.000 0.894 182 L HN 0.669 nan 8.230 nan 0.000 0.432 183 H N 0.573 119.588 119.070 -0.093 0.000 2.267 183 H HA -0.196 4.360 4.556 -0.000 0.000 0.297 183 H C 2.103 177.402 175.328 -0.049 0.000 1.080 183 H CA 1.873 57.880 56.048 -0.067 0.000 1.278 183 H CB 0.077 29.796 29.762 -0.072 0.000 1.365 183 H HN 0.284 nan 8.280 nan 0.000 0.489 184 A N 0.753 123.674 122.820 0.170 0.000 1.896 184 A HA -0.264 4.055 4.320 -0.001 0.000 0.220 184 A C 2.899 180.464 177.584 -0.032 0.000 1.206 184 A CA 2.120 54.213 52.037 0.093 0.000 0.647 184 A CB -1.512 17.523 19.000 0.059 0.000 0.828 184 A HN 0.640 nan 8.150 nan 0.000 0.455 185 C N -1.305 117.970 119.300 -0.041 0.000 2.539 185 C HA 0.292 4.752 4.460 -0.001 0.000 0.271 185 C C 2.844 177.792 174.990 -0.069 0.000 1.412 185 C CA 0.820 59.807 59.018 -0.050 0.000 1.729 185 C CB -1.330 26.386 27.740 -0.039 0.000 1.739 185 C HN 0.678 nan 8.230 nan 0.000 0.570 186 S N -0.934 114.702 115.700 -0.107 0.000 2.998 186 S HA 0.464 4.934 4.470 -0.001 0.000 0.208 186 S C 1.531 176.073 174.600 -0.095 0.000 0.876 186 S CA 0.830 58.976 58.200 -0.091 0.000 0.836 186 S CB 0.128 63.284 63.200 -0.074 0.000 0.817 186 S HN 0.517 nan 8.310 nan 0.000 0.631 187 A N 0.085 122.828 122.820 -0.127 0.000 2.480 187 A HA 0.427 4.746 4.320 -0.001 0.000 0.191 187 A C 0.852 178.366 177.584 -0.117 0.000 1.503 187 A CA -0.264 51.715 52.037 -0.097 0.000 1.110 187 A CB 0.220 19.182 19.000 -0.063 0.000 1.401 187 A HN 0.352 nan 8.150 nan 0.000 0.533 188 R N 0.697 121.077 120.500 -0.201 0.000 2.694 188 R HA 0.263 4.603 4.340 -0.001 0.000 0.334 188 R C 0.700 176.805 176.300 -0.325 0.000 1.143 188 R CA 0.403 56.388 56.100 -0.192 0.000 1.073 188 R CB 0.161 30.371 30.300 -0.150 0.000 1.366 188 R HN 0.324 nan 8.270 nan 0.000 0.577 189 S N 1.479 117.015 115.700 -0.274 0.000 2.402 189 S HA -0.183 4.287 4.470 -0.001 0.000 0.233 189 S C 0.898 175.532 174.600 0.056 0.000 1.030 189 S CA 1.929 60.026 58.200 -0.172 0.000 1.003 189 S CB -0.088 63.071 63.200 -0.069 0.000 0.813 189 S HN 0.529 nan 8.310 nan 0.000 0.477 190 D N 0.512 120.923 120.400 0.018 0.000 2.240 190 D HA 0.087 4.727 4.640 -0.001 0.000 0.206 190 D C 0.960 177.308 176.300 0.081 0.000 0.963 190 D CA 0.224 54.257 54.000 0.054 0.000 0.863 190 D CB -0.015 40.799 40.800 0.022 0.000 0.973 190 D HN 0.187 nan 8.370 nan 0.000 0.501 191 R N 1.180 121.729 120.500 0.083 0.000 2.783 191 R HA 0.324 4.663 4.340 -0.001 0.000 0.276 191 R C -2.100 174.302 176.300 0.170 0.000 1.223 191 R CA -1.102 55.059 56.100 0.102 0.000 1.173 191 R CB -0.631 29.714 30.300 0.076 0.000 1.157 191 R HN 0.096 nan 8.270 nan 0.000 0.600 192 P HA 0.090 nan 4.420 nan 0.000 0.276 192 P C -1.057 176.272 177.300 0.047 0.000 1.244 192 P CA -0.260 62.878 63.100 0.063 0.000 0.801 192 P CB 0.674 32.399 31.700 0.041 0.000 1.006 193 L N 2.923 124.093 121.223 -0.088 0.000 2.502 193 L HA 0.228 4.568 4.340 -0.001 0.000 0.247 193 L C -0.763 176.072 176.870 -0.059 0.000 1.180 193 L CA -0.795 53.948 54.840 -0.161 0.000 0.956 193 L CB -0.012 41.765 42.059 -0.470 0.000 1.282 193 L HN -0.012 nan 8.230 nan 0.000 0.470 194 V N 1.625 121.532 119.914 -0.013 0.000 2.715 194 V HA 0.507 4.627 4.120 -0.001 0.000 0.299 194 V C 0.703 176.803 176.094 0.011 0.000 1.054 194 V CA 0.118 62.411 62.300 -0.011 0.000 1.077 194 V CB 0.891 32.700 31.823 -0.024 0.000 0.972 194 V HN 0.775 nan 8.190 nan 0.000 0.484 195 T N 5.715 120.274 114.554 0.007 0.000 3.109 195 T HA 0.599 4.949 4.350 -0.001 0.000 0.311 195 T C -1.207 173.457 174.700 -0.060 0.000 1.011 195 T CA -0.623 61.493 62.100 0.026 0.000 1.026 195 T CB 1.077 70.036 68.868 0.151 0.000 1.047 195 T HN 0.898 nan 8.240 nan 0.000 0.448 196 L N 3.293 124.430 121.223 -0.143 0.000 2.354 196 L HA 0.787 5.127 4.340 -0.001 0.000 0.264 196 L C -1.168 175.587 176.870 -0.193 0.000 1.008 196 L CA -0.881 53.877 54.840 -0.137 0.000 0.819 196 L CB 2.294 44.283 42.059 -0.117 0.000 1.339 196 L HN 0.631 nan 8.230 nan 0.000 0.420 197 N N 2.438 121.056 118.700 -0.138 0.000 2.546 197 N HA 0.209 4.949 4.740 -0.001 0.000 0.238 197 N C 0.428 175.883 175.510 -0.092 0.000 0.984 197 N CA -0.512 52.458 53.050 -0.134 0.000 0.935 197 N CB 1.136 39.572 38.487 -0.085 0.000 1.122 197 N HN 0.912 nan 8.380 nan 0.000 0.510 198 C N 2.422 121.666 119.300 -0.093 0.000 2.443 198 C HA -0.021 4.438 4.460 -0.001 0.000 0.290 198 C C 2.545 177.520 174.990 -0.025 0.000 1.476 198 C CA 0.265 59.250 59.018 -0.055 0.000 1.772 198 C CB -1.921 25.795 27.740 -0.041 0.000 1.714 198 C HN 0.813 nan 8.230 nan 0.000 0.562 199 A N 1.353 124.164 122.820 -0.015 0.000 1.762 199 A HA -0.180 4.140 4.320 -0.001 0.000 0.285 199 A C 1.541 179.132 177.584 0.012 0.000 2.926 199 A CA 3.101 55.144 52.037 0.009 0.000 0.873 199 A CB -1.164 17.837 19.000 0.003 0.000 0.820 199 A HN 1.558 nan 8.150 nan 0.000 0.524 200 A N -2.531 120.290 122.820 0.000 0.000 3.448 200 A HA 0.581 4.901 4.320 -0.001 0.000 0.232 200 A C -0.506 177.075 177.584 -0.006 0.000 1.018 200 A CA -0.429 51.610 52.037 0.003 0.000 0.996 200 A CB 0.118 19.122 19.000 0.006 0.000 1.283 200 A HN 0.389 nan 8.150 nan 0.000 0.586 201 L N 2.162 123.377 121.223 -0.013 0.000 2.264 201 L HA 0.315 4.655 4.340 -0.001 0.000 0.289 201 L C 0.429 177.289 176.870 -0.016 0.000 1.044 201 L CA -0.827 54.002 54.840 -0.020 0.000 0.807 201 L CB 1.224 43.264 42.059 -0.032 0.000 1.192 201 L HN 0.756 nan 8.230 nan 0.000 0.425 202 N N 1.211 119.902 118.700 -0.015 0.000 2.273 202 N HA -0.149 4.590 4.740 -0.001 0.000 0.227 202 N C 0.802 176.305 175.510 -0.012 0.000 1.292 202 N CA -0.107 52.937 53.050 -0.011 0.000 0.875 202 N CB 0.405 38.886 38.487 -0.011 0.000 1.105 202 N HN 0.635 nan 8.380 nan 0.000 0.434 203 E N -0.467 119.729 120.200 -0.006 0.000 2.169 203 E HA -0.350 4.000 4.350 -0.001 0.000 0.202 203 E C 1.420 178.017 176.600 -0.004 0.000 1.016 203 E CA 2.049 58.448 56.400 -0.002 0.000 0.817 203 E CB -0.071 29.631 29.700 0.004 0.000 0.736 203 E HN 0.740 nan 8.360 nan 0.000 0.462 204 S N 0.057 115.751 115.700 -0.010 0.000 2.317 204 S HA -0.110 4.360 4.470 -0.001 0.000 0.212 204 S C 2.102 176.682 174.600 -0.033 0.000 1.030 204 S CA 0.814 59.005 58.200 -0.016 0.000 0.970 204 S CB -0.849 62.339 63.200 -0.021 0.000 0.928 204 S HN 0.339 nan 8.310 nan 0.000 0.451 205 L N 0.966 122.163 121.223 -0.043 0.000 2.058 205 L HA -0.216 4.123 4.340 -0.001 0.000 0.226 205 L C 2.780 179.617 176.870 -0.056 0.000 1.089 205 L CA 1.905 56.712 54.840 -0.055 0.000 0.799 205 L CB -1.051 40.981 42.059 -0.044 0.000 0.900 205 L HN 0.367 nan 8.230 nan 0.000 0.442 206 L N 0.239 121.430 121.223 -0.054 0.000 1.997 206 L HA -0.300 4.039 4.340 -0.001 0.000 0.216 206 L C 2.588 179.387 176.870 -0.118 0.000 1.074 206 L CA 2.399 57.191 54.840 -0.079 0.000 0.763 206 L CB -0.655 41.366 42.059 -0.062 0.000 0.890 206 L HN 0.343 nan 8.230 nan 0.000 0.434 207 E N -1.443 118.719 120.200 -0.063 0.000 2.118 207 E HA -0.267 4.083 4.350 -0.001 0.000 0.195 207 E C 2.213 178.805 176.600 -0.012 0.000 0.992 207 E CA 1.445 57.835 56.400 -0.018 0.000 0.804 207 E CB -0.225 29.528 29.700 0.089 0.000 0.741 207 E HN 0.625 nan 8.360 nan 0.000 0.458 208 S N 0.082 115.777 115.700 -0.009 0.000 2.335 208 S HA -0.198 4.272 4.470 -0.001 0.000 0.217 208 S C 1.941 176.565 174.600 0.041 0.000 1.032 208 S CA 1.416 59.641 58.200 0.042 0.000 0.985 208 S CB -0.406 62.753 63.200 -0.069 0.000 0.896 208 S HN 0.311 nan 8.310 nan 0.000 0.445 209 E N 0.815 121.002 120.200 -0.022 0.000 2.169 209 E HA -0.163 4.187 4.350 -0.001 0.000 0.202 209 E C 1.874 178.431 176.600 -0.073 0.000 1.016 209 E CA 1.587 57.969 56.400 -0.030 0.000 0.817 209 E CB -0.451 29.213 29.700 -0.060 0.000 0.736 209 E HN 0.600 nan 8.360 nan 0.000 0.462 210 L N -1.429 119.663 121.223 -0.218 0.000 2.130 210 L HA 0.081 4.421 4.340 -0.001 0.000 0.200 210 L C 0.958 177.703 176.870 -0.208 0.000 1.075 210 L CA 0.325 54.945 54.840 -0.366 0.000 0.768 210 L CB -0.017 41.487 42.059 -0.925 0.000 0.933 210 L HN 0.075 nan 8.230 nan 0.000 0.451 211 F N -1.344 118.698 119.950 0.153 0.000 2.484 211 F HA 0.438 4.965 4.527 -0.001 0.000 0.260 211 F C 1.242 177.106 175.800 0.108 0.000 0.995 211 F CA -0.774 57.299 58.000 0.122 0.000 1.075 211 F CB -0.489 38.550 39.000 0.065 0.000 2.044 211 F HN -0.192 nan 8.300 nan 0.000 0.607 212 G N -1.617 107.366 108.800 0.305 0.000 2.557 212 G HA2 0.516 4.475 3.960 -0.001 0.000 0.302 212 G HA3 0.516 4.475 3.960 -0.001 0.000 0.302 212 G C -1.665 173.367 174.900 0.220 0.000 1.311 212 G CA -0.318 44.886 45.100 0.175 0.000 1.030 212 G HN 0.771 nan 8.290 nan 0.000 0.509 213 H N -1.239 117.873 119.070 0.069 0.000 3.085 213 H HA 0.550 5.106 4.556 -0.001 0.000 0.356 213 H C -1.615 173.735 175.328 0.038 0.000 1.178 213 H CA -0.636 55.444 56.048 0.053 0.000 1.214 213 H CB 2.034 31.824 29.762 0.045 0.000 1.881 213 H HN 0.437 nan 8.280 nan 0.000 0.538 214 E N 1.134 121.408 120.200 0.124 0.000 2.239 214 E HA 0.253 4.603 4.350 -0.001 0.000 0.261 214 E C 0.831 177.498 176.600 0.111 0.000 1.016 214 E CA -0.774 55.657 56.400 0.052 0.000 0.882 214 E CB 1.525 31.254 29.700 0.048 0.000 1.190 214 E HN 0.623 nan 8.360 nan 0.000 0.415 215 K N 0.454 120.890 120.400 0.061 0.000 2.519 215 K HA -0.066 4.254 4.320 -0.001 0.000 0.196 215 K C 1.278 177.920 176.600 0.070 0.000 1.041 215 K CA 0.970 57.300 56.287 0.070 0.000 0.954 215 K CB -0.049 32.474 32.500 0.038 0.000 0.774 215 K HN 0.614 nan 8.250 nan 0.000 0.480 216 G N 0.908 109.748 108.800 0.067 0.000 2.539 216 G HA2 0.020 3.980 3.960 -0.001 0.000 0.215 216 G HA3 0.020 3.980 3.960 -0.001 0.000 0.215 216 G C 0.471 175.399 174.900 0.048 0.000 1.141 216 G CA 0.277 45.407 45.100 0.049 0.000 0.806 216 G HN 0.308 nan 8.290 nan 0.000 0.533 217 A N -0.745 122.113 122.820 0.064 0.000 2.561 217 A HA 0.449 4.768 4.320 -0.001 0.000 0.234 217 A C -0.159 177.437 177.584 0.020 0.000 1.055 217 A CA 0.932 52.989 52.037 0.033 0.000 0.756 217 A CB -0.461 18.547 19.000 0.013 0.000 0.986 217 A HN 1.231 nan 8.150 nan 0.000 0.505 218 F N 0.938 120.890 119.950 0.004 0.000 2.710 218 F HA 0.654 5.181 4.527 -0.001 0.000 0.345 218 F C 0.958 176.756 175.800 -0.005 0.000 1.362 218 F CA 0.207 58.210 58.000 0.005 0.000 1.175 218 F CB 0.033 39.039 39.000 0.010 0.000 1.561 218 F HN 1.136 nan 8.300 nan 0.000 0.593 219 T N -1.076 113.469 114.554 -0.015 0.000 3.188 219 T HA 0.513 4.862 4.350 -0.001 0.000 0.250 219 T C 1.850 176.545 174.700 -0.008 0.000 1.077 219 T CA 0.686 62.776 62.100 -0.017 0.000 0.967 219 T CB -0.426 68.423 68.868 -0.033 0.000 1.006 219 T HN 2.134 nan 8.240 nan 0.000 0.552 220 G N 0.206 109.006 108.800 0.000 0.000 2.083 220 G HA2 0.372 4.331 3.960 -0.001 0.000 0.199 220 G HA3 0.372 4.331 3.960 -0.001 0.000 0.199 220 G C 0.077 174.985 174.900 0.014 0.000 2.367 220 G CA -0.161 44.942 45.100 0.006 0.000 1.555 220 G HN 1.222 nan 8.290 nan 0.000 0.490 221 A N 1.198 124.028 122.820 0.017 0.000 2.316 221 A HA 0.718 5.037 4.320 -0.001 0.000 0.324 221 A C -0.213 177.399 177.584 0.046 0.000 1.375 221 A CA 1.248 53.302 52.037 0.028 0.000 0.882 221 A CB 0.060 19.075 19.000 0.024 0.000 1.152 221 A HN 1.774 nan 8.150 nan 0.000 0.512 222 D N 2.144 122.581 120.400 0.062 0.000 2.427 222 D HA 0.592 5.232 4.640 -0.001 0.000 0.226 222 D C 0.333 176.688 176.300 0.092 0.000 1.076 222 D CA 0.281 54.350 54.000 0.115 0.000 0.849 222 D CB 0.939 41.824 40.800 0.141 0.000 1.052 222 D HN 1.042 nan 8.370 nan 0.000 0.515 223 K N 0.962 121.413 120.400 0.085 0.000 2.440 223 K HA 0.766 5.085 4.320 -0.001 0.000 0.252 223 K C 0.681 177.305 176.600 0.041 0.000 1.044 223 K CA -0.303 56.010 56.287 0.044 0.000 0.962 223 K CB 0.361 32.879 32.500 0.030 0.000 1.269 223 K HN 0.804 nan 8.250 nan 0.000 0.505 224 R N -0.186 120.287 120.500 -0.044 0.000 2.514 224 R HA 0.650 4.989 4.340 -0.001 0.000 0.301 224 R C -0.170 175.936 176.300 -0.324 0.000 0.962 224 R CA -0.229 55.745 56.100 -0.210 0.000 0.882 224 R CB 1.208 31.422 30.300 -0.143 0.000 1.143 224 R HN 0.824 nan 8.270 nan 0.000 0.452 225 R N 2.039 122.086 120.500 -0.754 0.000 2.596 225 R HA 0.177 4.517 4.340 -0.001 0.000 0.267 225 R C 0.739 176.892 176.300 -0.246 0.000 1.026 225 R CA 0.057 55.941 56.100 -0.361 0.000 1.087 225 R CB 0.202 30.450 30.300 -0.087 0.000 1.132 225 R HN 0.974 nan 8.270 nan 0.000 0.531 226 E N -0.467 119.685 120.200 -0.080 0.000 2.004 226 E HA 0.263 4.613 4.350 -0.001 0.000 0.192 226 E C 0.751 177.368 176.600 0.029 0.000 0.987 226 E CA 1.614 58.000 56.400 -0.022 0.000 0.822 226 E CB 0.049 29.754 29.700 0.009 0.000 0.779 226 E HN 1.064 nan 8.360 nan 0.000 0.458 227 G N -1.647 107.189 108.800 0.061 0.000 2.369 227 G HA2 -0.018 3.941 3.960 -0.001 0.000 0.307 227 G HA3 -0.018 3.941 3.960 -0.001 0.000 0.307 227 G C -0.316 174.639 174.900 0.092 0.000 1.327 227 G CA -0.288 44.877 45.100 0.108 0.000 0.963 227 G HN 0.018 nan 8.290 nan 0.000 0.590 228 R N -1.039 119.522 120.500 0.102 0.000 2.225 228 R HA 0.319 4.658 4.340 -0.001 0.000 0.194 228 R C 2.326 178.667 176.300 0.068 0.000 0.949 228 R CA 0.481 56.605 56.100 0.040 0.000 1.088 228 R CB -0.489 29.784 30.300 -0.045 0.000 1.106 228 R HN 0.457 nan 8.270 nan 0.000 0.566 229 F N 1.889 121.882 119.950 0.072 0.000 2.043 229 F HA -0.303 4.223 4.527 -0.001 0.000 0.297 229 F C 2.533 178.382 175.800 0.081 0.000 1.121 229 F CA 2.182 60.243 58.000 0.102 0.000 1.199 229 F CB -0.649 38.453 39.000 0.171 0.000 0.968 229 F HN -0.222 nan 8.300 nan 0.000 0.478 230 V N -0.993 119.099 119.914 0.298 0.000 2.282 230 V HA -0.363 3.757 4.120 -0.001 0.000 0.249 230 V C 2.038 178.200 176.094 0.114 0.000 1.057 230 V CA 2.198 64.602 62.300 0.174 0.000 1.032 230 V CB -1.418 30.484 31.823 0.132 0.000 0.645 230 V HN 0.452 nan 8.190 nan 0.000 0.447 231 E N 1.343 121.596 120.200 0.090 0.000 2.301 231 E HA -0.249 4.101 4.350 -0.001 0.000 0.202 231 E C 1.791 178.421 176.600 0.049 0.000 1.017 231 E CA 1.589 58.021 56.400 0.053 0.000 0.831 231 E CB -0.284 29.436 29.700 0.033 0.000 0.742 231 E HN 0.752 nan 8.360 nan 0.000 0.491 232 A N 0.271 123.127 122.820 0.060 0.000 2.390 232 A HA 0.061 4.380 4.320 -0.001 0.000 0.232 232 A C 0.225 177.856 177.584 0.078 0.000 1.233 232 A CA -0.255 51.815 52.037 0.055 0.000 0.907 232 A CB 0.309 19.326 19.000 0.029 0.000 0.967 232 A HN 0.150 nan 8.150 nan 0.000 0.512 233 D N 0.888 121.343 120.400 0.091 0.000 2.570 233 D HA 0.258 4.898 4.640 -0.001 0.000 0.243 233 D C 1.378 177.721 176.300 0.072 0.000 1.171 233 D CA 2.041 56.098 54.000 0.095 0.000 0.879 233 D CB 0.069 40.922 40.800 0.088 0.000 1.143 233 D HN 0.655 nan 8.370 nan 0.000 0.511 234 G N 2.236 111.080 108.800 0.073 0.000 2.143 234 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.249 234 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.249 234 G C 0.622 175.556 174.900 0.057 0.000 0.981 234 G CA 0.386 45.520 45.100 0.055 0.000 0.665 234 G HN 0.855 nan 8.290 nan 0.000 0.528 235 G N -1.684 107.158 108.800 0.071 0.000 3.286 235 G HA2 0.758 4.718 3.960 -0.001 0.000 0.166 235 G HA3 0.758 4.718 3.960 -0.001 0.000 0.166 235 G C -0.597 174.360 174.900 0.094 0.000 1.155 235 G CA 0.531 45.682 45.100 0.086 0.000 0.871 235 G HN 0.848 nan 8.290 nan 0.000 0.637 236 T N 0.397 115.022 114.554 0.118 0.000 2.991 236 T HA 0.478 4.828 4.350 -0.001 0.000 0.303 236 T C -1.472 173.270 174.700 0.071 0.000 1.015 236 T CA -0.215 61.958 62.100 0.121 0.000 1.007 236 T CB 1.807 70.829 68.868 0.255 0.000 1.034 236 T HN 0.496 nan 8.240 nan 0.000 0.446 237 L N 3.861 125.096 121.223 0.020 0.000 2.322 237 L HA 0.821 5.160 4.340 -0.001 0.000 0.281 237 L C -1.554 175.354 176.870 0.064 0.000 1.014 237 L CA -0.754 54.059 54.840 -0.046 0.000 0.815 237 L CB 0.914 42.806 42.059 -0.278 0.000 1.247 237 L HN 0.625 nan 8.230 nan 0.000 0.421 238 F N 6.521 126.411 119.950 -0.100 0.000 2.382 238 F HA 0.595 5.121 4.527 -0.001 0.000 0.361 238 F C -1.489 174.275 175.800 -0.061 0.000 1.109 238 F CA -1.299 56.664 58.000 -0.062 0.000 1.031 238 F CB 0.816 39.793 39.000 -0.039 0.000 1.234 238 F HN 0.325 nan 8.300 nan 0.000 0.445 239 L N 5.656 126.704 121.223 -0.292 0.000 2.264 239 L HA 0.388 4.727 4.340 -0.001 0.000 0.289 239 L C 0.043 176.546 176.870 -0.612 0.000 1.044 239 L CA -0.373 54.228 54.840 -0.399 0.000 0.807 239 L CB 0.624 42.587 42.059 -0.159 0.000 1.192 239 L HN 0.444 nan 8.230 nan 0.000 0.425 240 D N 2.491 122.486 120.400 -0.675 0.000 2.294 240 D HA 0.142 4.782 4.640 -0.001 0.000 0.250 240 D C -0.096 176.104 176.300 -0.166 0.000 1.058 240 D CA -0.288 53.429 54.000 -0.471 0.000 0.950 240 D CB 0.914 41.464 40.800 -0.417 0.000 1.158 240 D HN 0.561 nan 8.370 nan 0.000 0.453 241 E N 1.048 121.228 120.200 -0.034 0.000 2.332 241 E HA -0.244 4.105 4.350 -0.001 0.000 0.162 241 E C 0.536 177.141 176.600 0.008 0.000 1.637 241 E CA 0.029 56.450 56.400 0.035 0.000 0.654 241 E CB -0.923 28.822 29.700 0.075 0.000 1.072 241 E HN 0.439 nan 8.360 nan 0.000 0.336 242 I N -0.413 120.169 120.570 0.021 0.000 3.941 242 I HA 0.043 4.213 4.170 -0.001 0.000 0.321 242 I C 2.074 178.278 176.117 0.145 0.000 1.284 242 I CA 0.645 61.989 61.300 0.073 0.000 1.226 242 I CB 0.374 38.437 38.000 0.104 0.000 1.045 242 I HN 0.394 nan 8.210 nan 0.000 0.420 243 G N -0.022 108.816 108.800 0.063 0.000 2.708 243 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.210 243 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.210 243 G C 0.546 175.515 174.900 0.114 0.000 1.141 243 G CA 0.659 45.799 45.100 0.065 0.000 0.788 243 G HN 0.373 nan 8.290 nan 0.000 0.531 244 D N -0.309 120.140 120.400 0.083 0.000 2.398 244 D HA 0.115 4.754 4.640 -0.001 0.000 0.210 244 D C 1.291 177.633 176.300 0.070 0.000 1.094 244 D CA -0.525 53.518 54.000 0.071 0.000 0.839 244 D CB 0.381 41.206 40.800 0.041 0.000 0.963 244 D HN 0.518 nan 8.370 nan 0.000 0.506 245 I N 0.293 120.911 120.570 0.080 0.000 2.692 245 I HA 0.141 4.311 4.170 -0.001 0.000 0.284 245 I C 0.618 176.740 176.117 0.008 0.000 1.159 245 I CA -0.658 60.664 61.300 0.036 0.000 1.423 245 I CB 0.757 38.776 38.000 0.031 0.000 1.380 245 I HN -0.113 nan 8.210 nan 0.000 0.580 246 S N 6.183 121.883 115.700 -0.000 0.000 2.573 246 S HA 0.237 4.706 4.470 -0.001 0.000 0.277 246 S C -1.225 173.353 174.600 -0.038 0.000 1.346 246 S CA -0.794 57.400 58.200 -0.009 0.000 1.034 246 S CB 0.651 63.850 63.200 -0.001 0.000 0.879 246 S HN 0.689 nan 8.310 nan 0.000 0.528 247 P HA -0.226 nan 4.420 nan 0.000 0.215 247 P C 1.767 179.035 177.300 -0.053 0.000 1.163 247 P CA 1.157 64.217 63.100 -0.067 0.000 0.894 247 P CB -0.097 31.579 31.700 -0.039 0.000 0.791 248 L N -1.667 119.543 121.223 -0.022 0.000 2.127 248 L HA -0.153 4.186 4.340 -0.001 0.000 0.211 248 L C 2.382 179.261 176.870 0.015 0.000 1.089 248 L CA 1.688 56.525 54.840 -0.005 0.000 0.757 248 L CB -0.517 41.547 42.059 0.008 0.000 0.899 248 L HN -0.138 nan 8.230 nan 0.000 0.434 249 M N -1.055 118.555 119.600 0.017 0.000 2.394 249 M HA -0.131 4.349 4.480 -0.001 0.000 0.264 249 M C 2.072 178.388 176.300 0.027 0.000 1.073 249 M CA 1.288 56.626 55.300 0.062 0.000 1.111 249 M CB -0.929 31.703 32.600 0.053 0.000 1.401 249 M HN 0.425 nan 8.290 nan 0.000 0.448 250 Q N 0.071 119.828 119.800 -0.072 0.000 2.020 250 Q HA -0.119 4.220 4.340 -0.001 0.000 0.202 250 Q C 2.266 178.219 176.000 -0.078 0.000 0.982 250 Q CA 1.535 57.241 55.803 -0.161 0.000 0.838 250 Q CB -0.427 28.106 28.738 -0.340 0.000 0.899 250 Q HN 0.313 nan 8.270 nan 0.000 0.423 251 V N 1.252 121.129 119.914 -0.061 0.000 2.282 251 V HA -0.327 3.792 4.120 -0.001 0.000 0.249 251 V C 2.294 178.370 176.094 -0.031 0.000 1.057 251 V CA 2.045 64.319 62.300 -0.042 0.000 1.032 251 V CB -0.627 31.174 31.823 -0.037 0.000 0.645 251 V HN 0.310 nan 8.190 nan 0.000 0.447 252 R N -0.659 119.843 120.500 0.004 0.000 2.061 252 R HA -0.114 4.226 4.340 -0.001 0.000 0.230 252 R C 2.280 178.586 176.300 0.010 0.000 1.140 252 R CA 1.644 57.723 56.100 -0.034 0.000 0.940 252 R CB -0.706 29.644 30.300 0.084 0.000 0.839 252 R HN 0.429 nan 8.270 nan 0.000 0.429 253 L N 1.495 122.842 121.223 0.207 0.000 2.351 253 L HA -0.151 4.189 4.340 -0.001 0.000 0.220 253 L C 1.851 178.786 176.870 0.109 0.000 1.127 253 L CA 1.360 56.366 54.840 0.277 0.000 0.786 253 L CB -0.377 41.856 42.059 0.291 0.000 0.914 253 L HN 0.139 nan 8.230 nan 0.000 0.443 254 L N -0.509 120.734 121.223 0.032 0.000 2.034 254 L HA -0.083 4.257 4.340 -0.001 0.000 0.203 254 L C 2.678 179.531 176.870 -0.029 0.000 1.074 254 L CA 1.471 56.320 54.840 0.015 0.000 0.748 254 L CB -0.601 41.459 42.059 0.002 0.000 0.905 254 L HN 0.200 nan 8.230 nan 0.000 0.439 255 R N -0.131 120.321 120.500 -0.080 0.000 2.115 255 R HA -0.249 4.091 4.340 -0.001 0.000 0.239 255 R C 2.227 178.425 176.300 -0.171 0.000 1.133 255 R CA 1.727 57.753 56.100 -0.124 0.000 0.935 255 R CB -1.137 29.062 30.300 -0.167 0.000 0.853 255 R HN 0.557 nan 8.270 nan 0.000 0.433 256 A N 1.111 123.766 122.820 -0.275 0.000 1.958 256 A HA -0.191 4.129 4.320 -0.001 0.000 0.221 256 A C 2.132 179.585 177.584 -0.218 0.000 1.178 256 A CA 1.679 53.473 52.037 -0.404 0.000 0.642 256 A CB -0.572 17.959 19.000 -0.781 0.000 0.816 256 A HN 0.299 nan 8.150 nan 0.000 0.453 257 I N -2.013 118.521 120.570 -0.060 0.000 2.867 257 I HA -0.105 4.065 4.170 -0.001 0.000 0.265 257 I C 2.589 178.716 176.117 0.017 0.000 1.162 257 I CA 1.112 62.436 61.300 0.040 0.000 1.471 257 I CB -0.358 37.711 38.000 0.114 0.000 1.123 257 I HN 0.391 nan 8.210 nan 0.000 0.440 258 Q N 2.152 121.947 119.800 -0.009 0.000 2.016 258 Q HA -0.128 4.212 4.340 -0.001 0.000 0.200 258 Q C 0.507 176.495 176.000 -0.020 0.000 0.978 258 Q CA 1.195 56.995 55.803 -0.006 0.000 0.833 258 Q CB 0.292 29.023 28.738 -0.011 0.000 0.895 258 Q HN 0.586 nan 8.270 nan 0.000 0.427 259 E N -0.726 119.446 120.200 -0.048 0.000 2.235 259 E HA 0.253 4.602 4.350 -0.001 0.000 0.252 259 E C -0.341 176.214 176.600 -0.074 0.000 0.886 259 E CA -0.684 55.686 56.400 -0.050 0.000 0.767 259 E CB 0.968 30.636 29.700 -0.053 0.000 1.205 259 E HN 0.021 nan 8.360 nan 0.000 0.421 260 R N 1.683 122.152 120.500 -0.052 0.000 2.539 260 R HA -0.160 4.180 4.340 -0.001 0.000 0.243 260 R C -0.250 175.994 176.300 -0.094 0.000 1.220 260 R CA 0.906 56.972 56.100 -0.057 0.000 1.141 260 R CB -0.914 29.377 30.300 -0.015 0.000 0.804 260 R HN 0.674 nan 8.270 nan 0.000 0.508 261 E N -0.143 119.984 120.200 -0.122 0.000 2.318 261 E HA 0.322 4.671 4.350 -0.001 0.000 0.265 261 E C -0.586 175.880 176.600 -0.224 0.000 1.069 261 E CA -0.481 55.838 56.400 -0.136 0.000 0.893 261 E CB 1.564 31.196 29.700 -0.112 0.000 1.076 261 E HN -0.234 nan 8.360 nan 0.000 0.414 262 V N 2.665 122.467 119.914 -0.187 0.000 2.501 262 V HA 0.085 4.204 4.120 -0.001 0.000 0.277 262 V C -0.523 175.485 176.094 -0.143 0.000 1.004 262 V CA -0.665 61.497 62.300 -0.230 0.000 0.862 262 V CB 1.163 32.919 31.823 -0.111 0.000 1.035 262 V HN 0.617 nan 8.190 nan 0.000 0.448 263 Q N 2.322 122.011 119.800 -0.185 0.000 2.394 263 Q HA 0.624 4.964 4.340 -0.001 0.000 0.248 263 Q C 0.542 176.524 176.000 -0.030 0.000 0.992 263 Q CA 0.008 55.752 55.803 -0.098 0.000 0.888 263 Q CB 0.881 29.554 28.738 -0.109 0.000 1.257 263 Q HN 0.827 nan 8.270 nan 0.000 0.462 264 R N 0.213 120.724 120.500 0.018 0.000 2.700 264 R HA 0.692 5.032 4.340 -0.001 0.000 0.253 264 R C -0.160 176.195 176.300 0.091 0.000 1.091 264 R CA 0.008 56.155 56.100 0.077 0.000 1.104 264 R CB -0.276 30.056 30.300 0.054 0.000 1.202 264 R HN 0.667 nan 8.270 nan 0.000 0.532 265 V N 0.756 120.757 119.914 0.145 0.000 2.390 265 V HA 0.511 4.631 4.120 -0.001 0.000 0.260 265 V C 1.337 177.493 176.094 0.103 0.000 1.043 265 V CA 1.300 63.684 62.300 0.141 0.000 1.047 265 V CB -0.374 31.567 31.823 0.196 0.000 1.066 265 V HN 1.797 nan 8.190 nan 0.000 0.481 266 G N 3.395 112.234 108.800 0.064 0.000 2.906 266 G HA2 0.046 4.006 3.960 -0.001 0.000 0.196 266 G HA3 0.046 4.006 3.960 -0.001 0.000 0.196 266 G C 0.558 175.474 174.900 0.027 0.000 2.215 266 G CA 0.581 45.708 45.100 0.045 0.000 1.518 266 G HN 2.027 nan 8.290 nan 0.000 0.495 267 S N 0.594 116.308 115.700 0.023 0.000 2.687 267 S HA 0.611 5.081 4.470 -0.001 0.000 0.283 267 S C 0.112 174.712 174.600 0.000 0.000 1.170 267 S CA -0.099 58.107 58.200 0.010 0.000 1.008 267 S CB 1.835 65.041 63.200 0.009 0.000 1.026 267 S HN 0.481 nan 8.310 nan 0.000 0.541 268 N N 1.367 120.062 118.700 -0.007 0.000 3.243 268 N HA 0.005 4.744 4.740 -0.001 0.000 0.310 268 N C -0.297 175.203 175.510 -0.017 0.000 1.313 268 N CA 0.060 53.100 53.050 -0.017 0.000 1.204 268 N CB -0.513 37.962 38.487 -0.019 0.000 1.483 268 N HN 0.718 nan 8.380 nan 0.000 0.553 269 Q N 0.747 120.538 119.800 -0.014 0.000 2.815 269 Q HA 0.064 4.403 4.340 -0.001 0.000 0.235 269 Q C -0.508 175.479 176.000 -0.022 0.000 1.354 269 Q CA -0.123 55.673 55.803 -0.012 0.000 0.953 269 Q CB -0.202 28.534 28.738 -0.004 0.000 1.613 269 Q HN 0.205 nan 8.270 nan 0.000 0.572 270 T N 4.822 119.359 114.554 -0.027 0.000 3.586 270 T HA 0.046 4.396 4.350 -0.001 0.000 0.225 270 T C 0.529 175.209 174.700 -0.032 0.000 0.965 270 T CA 0.409 62.487 62.100 -0.037 0.000 1.382 270 T CB -0.729 68.119 68.868 -0.033 0.000 1.123 270 T HN 0.431 nan 8.240 nan 0.000 0.743 271 I N 0.603 121.153 120.570 -0.034 0.000 3.468 271 I HA 0.540 4.710 4.170 -0.001 0.000 0.299 271 I C 0.822 176.922 176.117 -0.029 0.000 1.141 271 I CA -0.807 60.481 61.300 -0.020 0.000 0.950 271 I CB 0.996 38.994 38.000 -0.003 0.000 1.522 271 I HN 0.340 nan 8.210 nan 0.000 0.699 272 S N 1.019 116.713 115.700 -0.011 0.000 2.563 272 S HA 0.616 5.086 4.470 -0.001 0.000 0.279 272 S C -1.167 173.444 174.600 0.018 0.000 1.155 272 S CA -0.614 57.579 58.200 -0.011 0.000 0.928 272 S CB 1.202 64.395 63.200 -0.012 0.000 1.107 272 S HN 0.493 nan 8.310 nan 0.000 0.462 273 V N 1.355 121.286 119.914 0.028 0.000 3.007 273 V HA 0.714 4.834 4.120 -0.001 0.000 0.311 273 V C -1.070 175.074 176.094 0.084 0.000 1.120 273 V CA -0.832 61.515 62.300 0.077 0.000 0.980 273 V CB 2.085 33.997 31.823 0.149 0.000 1.033 273 V HN 0.873 nan 8.190 nan 0.000 0.429 274 D N 1.897 122.354 120.400 0.095 0.000 2.461 274 D HA 0.572 5.212 4.640 -0.001 0.000 0.240 274 D C -1.323 175.048 176.300 0.118 0.000 1.094 274 D CA -0.030 54.023 54.000 0.090 0.000 0.868 274 D CB 1.924 42.759 40.800 0.059 0.000 1.062 274 D HN 0.468 nan 8.370 nan 0.000 0.530 275 V N 3.703 123.713 119.914 0.160 0.000 2.823 275 V HA 0.466 4.586 4.120 -0.001 0.000 0.312 275 V C 0.195 176.366 176.094 0.128 0.000 1.072 275 V CA -1.026 61.371 62.300 0.162 0.000 0.937 275 V CB 2.292 34.265 31.823 0.250 0.000 1.013 275 V HN 0.464 nan 8.190 nan 0.000 0.430 276 R N 3.015 123.569 120.500 0.090 0.000 2.229 276 R HA 0.560 4.899 4.340 -0.001 0.000 0.328 276 R C -1.405 174.941 176.300 0.076 0.000 1.009 276 R CA -0.566 55.579 56.100 0.074 0.000 0.864 276 R CB 1.127 31.454 30.300 0.045 0.000 1.085 276 R HN 0.559 nan 8.270 nan 0.000 0.453 277 L N 5.893 127.169 121.223 0.090 0.000 2.343 277 L HA 0.544 4.884 4.340 -0.001 0.000 0.275 277 L C -0.862 176.067 176.870 0.099 0.000 1.056 277 L CA -0.440 54.454 54.840 0.091 0.000 0.804 277 L CB 1.362 43.498 42.059 0.128 0.000 1.203 277 L HN 0.675 nan 8.230 nan 0.000 0.440 278 I N 3.964 124.620 120.570 0.142 0.000 2.571 278 I HA 0.669 4.839 4.170 -0.001 0.000 0.289 278 I C -0.979 175.349 176.117 0.352 0.000 1.115 278 I CA -0.506 60.898 61.300 0.174 0.000 1.045 278 I CB 1.932 39.989 38.000 0.095 0.000 1.238 278 I HN 0.773 nan 8.210 nan 0.000 0.424 279 A N 4.852 127.846 122.820 0.290 0.000 2.486 279 A HA 0.972 5.292 4.320 -0.001 0.000 0.300 279 A C -1.384 176.362 177.584 0.270 0.000 1.048 279 A CA -0.511 51.688 52.037 0.269 0.000 0.696 279 A CB 1.960 21.054 19.000 0.156 0.000 1.278 279 A HN 0.789 nan 8.150 nan 0.000 0.405 280 A N 0.672 123.631 122.820 0.232 0.000 2.414 280 A HA 0.920 5.239 4.320 -0.001 0.000 0.306 280 A C -0.322 177.332 177.584 0.118 0.000 1.054 280 A CA -0.029 52.131 52.037 0.206 0.000 0.724 280 A CB 1.656 20.838 19.000 0.303 0.000 1.267 280 A HN 1.788 nan 8.150 nan 0.000 0.418 281 T N 0.093 114.714 114.554 0.111 0.000 2.896 281 T HA 0.518 4.868 4.350 -0.001 0.000 0.297 281 T C -0.546 174.203 174.700 0.081 0.000 1.108 281 T CA -0.492 61.636 62.100 0.048 0.000 1.004 281 T CB 0.978 69.830 68.868 -0.026 0.000 1.159 281 T HN 0.908 nan 8.240 nan 0.000 0.499 282 H N 2.822 121.910 119.070 0.030 0.000 2.540 282 H HA 0.572 5.128 4.556 -0.001 0.000 0.264 282 H C 0.027 175.373 175.328 0.030 0.000 1.427 282 H CA -0.699 55.342 56.048 -0.011 0.000 1.103 282 H CB -0.180 29.569 29.762 -0.023 0.000 1.572 282 H HN 0.331 nan 8.280 nan 0.000 0.511 283 R N 0.412 120.883 120.500 -0.049 0.000 2.680 283 R HA 0.096 4.436 4.340 -0.001 0.000 0.269 283 R C -1.459 174.849 176.300 0.014 0.000 1.026 283 R CA -0.808 55.248 56.100 -0.074 0.000 0.889 283 R CB 2.013 32.166 30.300 -0.246 0.000 1.241 283 R HN 0.253 nan 8.270 nan 0.000 0.463 284 D N 3.287 123.677 120.400 -0.016 0.000 2.393 284 D HA 0.031 4.671 4.640 -0.001 0.000 0.232 284 D C 0.977 177.167 176.300 -0.184 0.000 1.192 284 D CA -0.182 53.778 54.000 -0.068 0.000 0.882 284 D CB 1.024 41.794 40.800 -0.050 0.000 1.038 284 D HN 0.270 nan 8.370 nan 0.000 0.499 285 L N 4.616 125.695 121.223 -0.239 0.000 2.013 285 L HA -0.195 4.145 4.340 -0.001 0.000 0.212 285 L C 2.507 179.069 176.870 -0.513 0.000 1.073 285 L CA 2.058 56.642 54.840 -0.427 0.000 0.753 285 L CB -1.226 40.623 42.059 -0.348 0.000 0.890 285 L HN 0.576 nan 8.230 nan 0.000 0.432 286 A N -1.007 121.533 122.820 -0.466 0.000 1.903 286 A HA -0.313 4.006 4.320 -0.001 0.000 0.219 286 A C 2.286 179.658 177.584 -0.353 0.000 1.191 286 A CA 2.064 53.771 52.037 -0.550 0.000 0.638 286 A CB -0.681 18.118 19.000 -0.335 0.000 0.823 286 A HN 0.447 nan 8.150 nan 0.000 0.451 287 E N -0.141 119.919 120.200 -0.233 0.000 2.038 287 E HA -0.215 4.134 4.350 -0.001 0.000 0.195 287 E C 1.900 178.408 176.600 -0.154 0.000 1.000 287 E CA 1.879 58.187 56.400 -0.153 0.000 0.803 287 E CB -0.377 29.262 29.700 -0.102 0.000 0.750 287 E HN 0.568 nan 8.360 nan 0.000 0.448 288 E N -0.627 119.459 120.200 -0.190 0.000 2.118 288 E HA -0.128 4.222 4.350 -0.001 0.000 0.195 288 E C 2.024 178.568 176.600 -0.093 0.000 0.992 288 E CA 1.169 57.489 56.400 -0.134 0.000 0.804 288 E CB -0.200 29.382 29.700 -0.197 0.000 0.741 288 E HN 0.180 nan 8.360 nan 0.000 0.458 289 V N 0.307 120.087 119.914 -0.224 0.000 2.379 289 V HA -0.222 3.898 4.120 -0.001 0.000 0.245 289 V C 2.156 178.178 176.094 -0.121 0.000 1.044 289 V CA 1.877 64.079 62.300 -0.164 0.000 1.036 289 V CB -0.603 30.985 31.823 -0.391 0.000 0.664 289 V HN 0.365 nan 8.190 nan 0.000 0.453 290 S N 0.885 116.496 115.700 -0.148 0.000 2.481 290 S HA 0.095 4.565 4.470 -0.001 0.000 0.231 290 S C 1.687 176.254 174.600 -0.054 0.000 0.996 290 S CA 0.796 58.941 58.200 -0.092 0.000 0.942 290 S CB -0.209 62.936 63.200 -0.091 0.000 0.768 290 S HN 0.539 nan 8.310 nan 0.000 0.520 291 A N 0.775 123.566 122.820 -0.049 0.000 2.370 291 A HA 0.623 4.942 4.320 -0.001 0.000 0.238 291 A C 1.655 179.234 177.584 -0.008 0.000 1.289 291 A CA 0.213 52.235 52.037 -0.025 0.000 0.885 291 A CB -1.156 17.830 19.000 -0.022 0.000 0.961 291 A HN 1.271 nan 8.150 nan 0.000 0.499 292 G N -0.285 108.513 108.800 -0.004 0.000 2.162 292 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.260 292 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.260 292 G C 1.069 175.985 174.900 0.027 0.000 0.976 292 G CA 0.679 45.785 45.100 0.009 0.000 0.655 292 G HN 0.546 nan 8.290 nan 0.000 0.533 293 R N -1.451 119.078 120.500 0.049 0.000 2.280 293 R HA 0.437 4.777 4.340 -0.001 0.000 0.195 293 R C 0.378 176.754 176.300 0.126 0.000 0.935 293 R CA 0.633 56.776 56.100 0.073 0.000 1.033 293 R CB 0.352 30.697 30.300 0.075 0.000 0.964 293 R HN 0.451 nan 8.270 nan 0.000 0.489 294 F N 0.847 120.772 119.950 -0.042 0.000 2.641 294 F HA 0.327 4.854 4.527 -0.000 0.000 0.308 294 F C -1.169 174.606 175.800 -0.043 0.000 1.105 294 F CA -1.280 56.700 58.000 -0.034 0.000 0.964 294 F CB 1.262 40.231 39.000 -0.052 0.000 1.294 294 F HN -0.250 nan 8.300 nan 0.000 0.442 295 R N 4.088 124.559 120.500 -0.047 0.000 2.604 295 R HA 0.444 4.783 4.340 -0.001 0.000 0.287 295 R C 0.244 176.639 176.300 0.158 0.000 0.970 295 R CA -0.767 55.366 56.100 0.056 0.000 0.946 295 R CB 1.746 32.022 30.300 -0.041 0.000 1.127 295 R HN 0.838 nan 8.270 nan 0.000 0.473 296 Q N 1.092 120.952 119.800 0.100 0.000 2.012 296 Q HA -0.313 4.027 4.340 -0.001 0.000 0.211 296 Q C 1.227 177.357 176.000 0.217 0.000 1.009 296 Q CA 2.771 58.637 55.803 0.105 0.000 0.866 296 Q CB -0.267 28.550 28.738 0.132 0.000 0.945 296 Q HN 0.883 nan 8.270 nan 0.000 0.414 297 D N 0.410 120.927 120.400 0.195 0.000 2.154 297 D HA -0.253 4.387 4.640 -0.001 0.000 0.190 297 D C 1.734 178.151 176.300 0.195 0.000 1.003 297 D CA 1.529 55.644 54.000 0.191 0.000 0.849 297 D CB -0.708 40.156 40.800 0.107 0.000 0.942 297 D HN 0.266 nan 8.370 nan 0.000 0.446 298 L N -0.954 120.365 121.223 0.159 0.000 2.056 298 L HA -0.051 4.288 4.340 -0.001 0.000 0.207 298 L C 2.401 179.466 176.870 0.325 0.000 1.078 298 L CA 1.399 56.346 54.840 0.179 0.000 0.749 298 L CB -1.190 40.894 42.059 0.041 0.000 0.901 298 L HN 0.204 nan 8.230 nan 0.000 0.433 299 Y N -0.702 119.765 120.300 0.278 0.000 2.145 299 Y HA -0.315 4.235 4.550 -0.001 0.000 0.286 299 Y C 2.273 178.232 175.900 0.097 0.000 1.145 299 Y CA 2.008 60.221 58.100 0.188 0.000 1.148 299 Y CB -0.909 37.528 38.460 -0.039 0.000 0.981 299 Y HN 0.279 nan 8.280 nan 0.000 0.507 300 Y N 0.119 120.493 120.300 0.122 0.000 2.569 300 Y HA -0.158 4.392 4.550 -0.001 0.000 0.293 300 Y C 2.181 178.046 175.900 -0.059 0.000 1.144 300 Y CA 0.446 58.507 58.100 -0.065 0.000 1.321 300 Y CB 0.071 38.578 38.460 0.077 0.000 0.982 300 Y HN 0.101 nan 8.280 nan 0.000 0.558 301 R N -0.762 119.833 120.500 0.159 0.000 2.265 301 R HA 0.092 4.432 4.340 -0.001 0.000 0.194 301 R C 1.517 177.864 176.300 0.078 0.000 0.931 301 R CA 0.408 56.572 56.100 0.108 0.000 1.032 301 R CB 0.178 30.547 30.300 0.115 0.000 0.980 301 R HN 0.398 nan 8.270 nan 0.000 0.497 302 L N -0.086 121.174 121.223 0.062 0.000 2.265 302 L HA 0.091 4.430 4.340 -0.001 0.000 0.195 302 L C 1.292 178.141 176.870 -0.035 0.000 1.083 302 L CA 0.312 55.184 54.840 0.053 0.000 0.798 302 L CB -0.398 41.728 42.059 0.111 0.000 0.989 302 L HN -0.053 nan 8.230 nan 0.000 0.472 303 N N 0.603 119.196 118.700 -0.180 0.000 2.944 303 N HA -0.060 4.680 4.740 -0.001 0.000 0.288 303 N C 0.863 176.293 175.510 -0.133 0.000 1.334 303 N CA 0.153 53.062 53.050 -0.235 0.000 1.063 303 N CB -0.040 38.090 38.487 -0.596 0.000 1.386 303 N HN 0.035 nan 8.380 nan 0.000 0.552 304 V N -0.969 118.912 119.914 -0.055 0.000 2.323 304 V HA -0.004 4.115 4.120 -0.001 0.000 0.244 304 V C 0.795 176.874 176.094 -0.024 0.000 1.041 304 V CA 0.851 63.135 62.300 -0.026 0.000 1.025 304 V CB 0.014 31.835 31.823 -0.004 0.000 0.656 304 V HN 0.228 nan 8.190 nan 0.000 0.451 305 V N -0.312 119.590 119.914 -0.020 0.000 2.612 305 V HA 0.798 4.918 4.120 -0.001 0.000 0.301 305 V C -0.607 175.478 176.094 -0.015 0.000 1.059 305 V CA -0.225 62.065 62.300 -0.017 0.000 0.886 305 V CB 1.554 33.370 31.823 -0.013 0.000 1.007 305 V HN 0.346 nan 8.190 nan 0.000 0.426 306 A N 6.494 129.304 122.820 -0.016 0.000 2.337 306 A HA 0.961 5.281 4.320 -0.001 0.000 0.331 306 A C -0.971 176.610 177.584 -0.005 0.000 1.137 306 A CA -0.608 51.425 52.037 -0.007 0.000 0.807 306 A CB 1.256 20.248 19.000 -0.013 0.000 1.250 306 A HN 0.732 nan 8.150 nan 0.000 0.468 307 I N 0.998 121.577 120.570 0.015 0.000 2.466 307 I HA 0.295 4.465 4.170 -0.001 0.000 0.289 307 I C -0.270 175.878 176.117 0.052 0.000 1.026 307 I CA -0.280 61.021 61.300 0.001 0.000 1.078 307 I CB 2.059 40.050 38.000 -0.016 0.000 1.249 307 I HN 0.688 nan 8.210 nan 0.000 0.429 308 E N 7.339 127.567 120.200 0.046 0.000 2.028 308 E HA 0.229 4.578 4.350 -0.001 0.000 0.266 308 E C -0.706 175.918 176.600 0.041 0.000 0.962 308 E CA -0.856 55.604 56.400 0.100 0.000 0.784 308 E CB 0.838 30.611 29.700 0.122 0.000 1.114 308 E HN 0.410 nan 8.360 nan 0.000 0.414 309 M N 5.788 125.399 119.600 0.018 0.000 2.269 309 M HA 0.124 4.604 4.480 -0.001 0.000 0.350 309 M C -2.124 174.172 176.300 -0.008 0.000 1.429 309 M CA -1.967 53.332 55.300 -0.003 0.000 1.063 309 M CB 0.036 32.631 32.600 -0.008 0.000 1.841 309 M HN 0.229 nan 8.290 nan 0.000 0.455 310 P HA 0.228 nan 4.420 nan 0.000 0.286 310 P C -0.566 176.729 177.300 -0.008 0.000 1.261 310 P CA -0.438 62.663 63.100 0.002 0.000 0.821 310 P CB 0.951 32.661 31.700 0.015 0.000 1.013 311 S N 1.503 117.193 115.700 -0.017 0.000 2.585 311 S HA 0.125 4.595 4.470 -0.001 0.000 0.273 311 S C 1.690 176.280 174.600 -0.016 0.000 1.339 311 S CA -0.570 57.618 58.200 -0.020 0.000 1.028 311 S CB 0.054 63.230 63.200 -0.039 0.000 0.906 311 S HN 0.417 nan 8.310 nan 0.000 0.528 312 L N 3.051 124.276 121.223 0.002 0.000 1.944 312 L HA -0.236 4.104 4.340 -0.001 0.000 0.218 312 L C 2.831 179.693 176.870 -0.014 0.000 1.075 312 L CA 2.132 56.981 54.840 0.016 0.000 0.767 312 L CB -0.538 41.553 42.059 0.053 0.000 0.890 312 L HN 0.812 nan 8.230 nan 0.000 0.434 313 R N 0.072 120.545 120.500 -0.045 0.000 2.246 313 R HA -0.318 4.022 4.340 -0.001 0.000 0.266 313 R C 1.687 177.920 176.300 -0.110 0.000 1.163 313 R CA 2.441 58.457 56.100 -0.140 0.000 0.992 313 R CB -0.852 29.239 30.300 -0.349 0.000 0.895 313 R HN 0.545 nan 8.270 nan 0.000 0.465 314 Q N 0.642 120.394 119.800 -0.078 0.000 2.444 314 Q HA 0.035 4.375 4.340 -0.001 0.000 0.206 314 Q C 0.457 176.438 176.000 -0.031 0.000 0.948 314 Q CA 0.609 56.378 55.803 -0.056 0.000 0.946 314 Q CB 0.415 29.129 28.738 -0.041 0.000 1.027 314 Q HN 0.587 nan 8.270 nan 0.000 0.513 315 R N -0.733 119.753 120.500 -0.025 0.000 2.698 315 R HA 0.308 4.648 4.340 -0.001 0.000 0.422 315 R C 0.475 176.766 176.300 -0.014 0.000 1.073 315 R CA -0.537 55.555 56.100 -0.014 0.000 1.054 315 R CB 0.311 30.608 30.300 -0.005 0.000 1.373 315 R HN -0.101 nan 8.270 nan 0.000 0.593 316 R N 1.670 122.158 120.500 -0.021 0.000 2.191 316 R HA -0.233 4.106 4.340 -0.001 0.000 0.248 316 R C 0.757 177.038 176.300 -0.032 0.000 1.127 316 R CA 2.284 58.367 56.100 -0.029 0.000 0.943 316 R CB -0.529 29.748 30.300 -0.039 0.000 0.891 316 R HN 0.376 nan 8.270 nan 0.000 0.439 317 E N 0.607 120.792 120.200 -0.025 0.000 2.339 317 E HA -0.171 4.179 4.350 -0.001 0.000 0.201 317 E C 1.390 177.978 176.600 -0.019 0.000 1.015 317 E CA 1.487 57.874 56.400 -0.021 0.000 0.841 317 E CB -0.176 29.517 29.700 -0.013 0.000 0.754 317 E HN 0.459 nan 8.360 nan 0.000 0.508 318 D N -0.248 120.142 120.400 -0.017 0.000 2.290 318 D HA 0.015 4.654 4.640 -0.001 0.000 0.224 318 D C 2.066 178.357 176.300 -0.015 0.000 0.967 318 D CA 0.164 54.154 54.000 -0.017 0.000 0.893 318 D CB -0.253 40.536 40.800 -0.019 0.000 1.037 318 D HN 0.119 nan 8.370 nan 0.000 0.477 319 I N 2.185 122.751 120.570 -0.007 0.000 3.314 319 I HA -0.366 3.804 4.170 -0.001 0.000 0.192 319 I C -0.579 175.524 176.117 -0.023 0.000 0.802 319 I CA 2.285 63.585 61.300 -0.000 0.000 1.099 319 I CB -2.059 35.932 38.000 -0.015 0.000 0.859 319 I HN 0.112 nan 8.210 nan 0.000 0.328 320 P HA -0.216 nan 4.420 nan 0.000 0.208 320 P C 1.822 179.118 177.300 -0.006 0.000 1.189 320 P CA 1.685 64.751 63.100 -0.057 0.000 0.931 320 P CB -0.430 31.246 31.700 -0.039 0.000 0.783 321 L N -0.697 120.527 121.223 0.003 0.000 2.103 321 L HA -0.176 4.163 4.340 -0.001 0.000 0.215 321 L C 2.336 179.210 176.870 0.006 0.000 1.080 321 L CA 1.797 56.644 54.840 0.013 0.000 0.764 321 L CB -2.086 39.970 42.059 -0.004 0.000 0.890 321 L HN -0.104 nan 8.230 nan 0.000 0.435 322 L N -0.216 121.000 121.223 -0.012 0.000 2.056 322 L HA -0.010 4.330 4.340 -0.001 0.000 0.207 322 L C 2.569 179.456 176.870 0.029 0.000 1.078 322 L CA 2.018 56.833 54.840 -0.040 0.000 0.749 322 L CB -1.307 40.748 42.059 -0.006 0.000 0.901 322 L HN 0.337 nan 8.230 nan 0.000 0.433 323 A N -0.857 122.015 122.820 0.087 0.000 1.851 323 A HA -0.280 4.040 4.320 -0.001 0.000 0.216 323 A C 2.163 179.942 177.584 0.325 0.000 1.195 323 A CA 1.904 54.051 52.037 0.182 0.000 0.622 323 A CB -1.101 17.811 19.000 -0.146 0.000 0.831 323 A HN 0.491 nan 8.150 nan 0.000 0.444 324 D N -1.214 119.349 120.400 0.272 0.000 2.170 324 D HA -0.240 4.400 4.640 -0.001 0.000 0.193 324 D C 1.761 178.169 176.300 0.180 0.000 1.004 324 D CA 1.584 55.761 54.000 0.296 0.000 0.860 324 D CB -0.494 40.415 40.800 0.182 0.000 0.931 324 D HN 0.668 nan 8.370 nan 0.000 0.448 325 H N -0.623 118.436 119.070 -0.018 0.000 2.265 325 H HA -0.191 4.365 4.556 -0.000 0.000 0.295 325 H C 2.318 177.591 175.328 -0.091 0.000 1.084 325 H CA 1.882 57.833 56.048 -0.162 0.000 1.261 325 H CB -0.685 28.827 29.762 -0.417 0.000 1.360 325 H HN 0.247 nan 8.280 nan 0.000 0.487 326 F N 0.171 120.204 119.950 0.139 0.000 2.075 326 F HA -0.213 4.314 4.527 -0.001 0.000 0.297 326 F C 2.827 178.698 175.800 0.118 0.000 1.113 326 F CA 0.525 58.585 58.000 0.099 0.000 1.218 326 F CB -0.501 38.700 39.000 0.336 0.000 0.984 326 F HN 0.157 nan 8.300 nan 0.000 0.472 327 L N 1.103 122.573 121.223 0.411 0.000 2.011 327 L HA -0.314 4.026 4.340 -0.001 0.000 0.225 327 L C 2.367 179.288 176.870 0.084 0.000 1.084 327 L CA 1.913 56.889 54.840 0.226 0.000 0.791 327 L CB -0.851 41.284 42.059 0.126 0.000 0.898 327 L HN 0.063 nan 8.230 nan 0.000 0.440 328 R N -1.053 119.450 120.500 0.006 0.000 2.091 328 R HA -0.202 4.138 4.340 -0.001 0.000 0.238 328 R C 2.429 178.664 176.300 -0.109 0.000 1.136 328 R CA 1.707 57.766 56.100 -0.069 0.000 0.959 328 R CB -0.505 29.728 30.300 -0.112 0.000 0.856 328 R HN 0.484 nan 8.270 nan 0.000 0.437 329 R N 0.469 120.845 120.500 -0.207 0.000 2.082 329 R HA -0.162 4.177 4.340 -0.001 0.000 0.234 329 R C 2.063 178.242 176.300 -0.201 0.000 1.136 329 R CA 1.833 57.752 56.100 -0.301 0.000 0.935 329 R CB -0.344 29.652 30.300 -0.506 0.000 0.842 329 R HN 0.162 nan 8.270 nan 0.000 0.430 330 F N 0.516 120.478 119.950 0.020 0.000 2.206 330 F HA -0.011 4.516 4.527 -0.001 0.000 0.298 330 F C 2.618 178.408 175.800 -0.016 0.000 1.090 330 F CA 0.649 58.655 58.000 0.011 0.000 1.323 330 F CB -0.303 38.712 39.000 0.025 0.000 1.028 330 F HN 0.221 nan 8.300 nan 0.000 0.492 331 A N -0.206 122.701 122.820 0.144 0.000 2.084 331 A HA -0.267 4.052 4.320 -0.001 0.000 0.221 331 A C 2.061 179.658 177.584 0.021 0.000 1.161 331 A CA 2.132 54.196 52.037 0.045 0.000 0.653 331 A CB -0.735 18.255 19.000 -0.016 0.000 0.802 331 A HN 0.533 nan 8.150 nan 0.000 0.457 332 E N -0.727 119.480 120.200 0.012 0.000 2.057 332 E HA -0.089 4.260 4.350 -0.001 0.000 0.190 332 E C 2.178 178.788 176.600 0.017 0.000 0.969 332 E CA 0.376 56.773 56.400 -0.006 0.000 0.812 332 E CB -0.184 29.495 29.700 -0.035 0.000 0.777 332 E HN 0.479 nan 8.360 nan 0.000 0.455 333 R N 0.329 120.851 120.500 0.038 0.000 2.185 333 R HA -0.146 4.193 4.340 -0.001 0.000 0.247 333 R C 0.700 177.040 176.300 0.068 0.000 1.159 333 R CA 2.082 58.221 56.100 0.065 0.000 0.988 333 R CB -0.170 30.212 30.300 0.136 0.000 0.871 333 R HN 0.269 nan 8.270 nan 0.000 0.458 334 N N -0.617 118.123 118.700 0.066 0.000 2.204 334 N HA 0.107 4.846 4.740 -0.001 0.000 0.219 334 N C -0.620 174.900 175.510 0.016 0.000 1.151 334 N CA -0.324 52.750 53.050 0.040 0.000 0.867 334 N CB 0.826 39.336 38.487 0.038 0.000 1.043 334 N HN -0.051 nan 8.380 nan 0.000 0.516 335 R N 0.128 120.634 120.500 0.011 0.000 3.610 335 R HA -0.198 4.141 4.340 -0.001 0.000 0.274 335 R C -0.654 175.641 176.300 -0.008 0.000 1.123 335 R CA 0.623 56.722 56.100 -0.002 0.000 0.747 335 R CB -1.716 28.583 30.300 -0.002 0.000 1.149 335 R HN 0.161 nan 8.270 nan 0.000 0.471 336 K N -0.130 120.265 120.400 -0.010 0.000 2.206 336 K HA 0.402 4.721 4.320 -0.001 0.000 0.264 336 K C -0.503 176.076 176.600 -0.036 0.000 0.967 336 K CA -0.653 55.622 56.287 -0.020 0.000 0.844 336 K CB 1.351 33.841 32.500 -0.017 0.000 1.099 336 K HN -0.024 nan 8.250 nan 0.000 0.441 337 V N 5.585 125.473 119.914 -0.043 0.000 2.287 337 V HA 0.182 4.301 4.120 -0.001 0.000 0.246 337 V C -0.292 175.746 176.094 -0.095 0.000 1.165 337 V CA -0.525 61.739 62.300 -0.060 0.000 1.088 337 V CB -0.224 31.570 31.823 -0.049 0.000 1.242 337 V HN 0.448 nan 8.190 nan 0.000 0.497 338 V N 3.719 123.563 119.914 -0.117 0.000 2.919 338 V HA 0.867 4.986 4.120 -0.001 0.000 0.316 338 V C -0.243 175.707 176.094 -0.240 0.000 1.077 338 V CA -1.017 61.173 62.300 -0.183 0.000 0.977 338 V CB 2.296 34.022 31.823 -0.161 0.000 1.039 338 V HN 0.686 nan 8.190 nan 0.000 0.441 339 K N 1.451 121.623 120.400 -0.381 0.000 2.487 339 K HA 0.551 4.870 4.320 -0.001 0.000 0.307 339 K C -0.656 175.574 176.600 -0.616 0.000 1.160 339 K CA 0.737 56.787 56.287 -0.394 0.000 1.087 339 K CB 0.867 33.185 32.500 -0.302 0.000 1.390 339 K HN 1.726 nan 8.250 nan 0.000 0.453 340 G N 2.579 111.146 108.800 -0.387 0.000 2.697 340 G HA2 0.007 3.966 3.960 -0.001 0.000 0.686 340 G HA3 0.007 3.966 3.960 -0.001 0.000 0.686 340 G C -1.310 173.508 174.900 -0.137 0.000 1.179 340 G CA -0.887 44.120 45.100 -0.154 0.000 0.765 340 G HN 0.236 nan 8.290 nan 0.000 0.649 341 F N 0.480 120.536 119.950 0.176 0.000 2.523 341 F HA 0.735 5.262 4.527 -0.000 0.000 0.329 341 F C 1.364 177.276 175.800 0.187 0.000 1.061 341 F CA 0.087 58.183 58.000 0.159 0.000 0.967 341 F CB 2.204 41.267 39.000 0.105 0.000 1.218 341 F HN 0.708 nan 8.300 nan 0.000 0.480 342 T N -0.153 114.593 114.554 0.320 0.000 2.869 342 T HA 0.181 4.531 4.350 -0.001 0.000 0.295 342 T C -1.809 172.988 174.700 0.162 0.000 0.987 342 T CA -1.703 60.502 62.100 0.176 0.000 1.109 342 T CB 1.274 70.207 68.868 0.110 0.000 0.932 342 T HN 0.348 nan 8.240 nan 0.000 0.518 343 P HA -0.240 nan 4.420 nan 0.000 0.217 343 P C 1.384 178.730 177.300 0.076 0.000 1.148 343 P CA 1.258 64.410 63.100 0.088 0.000 0.834 343 P CB 0.286 32.020 31.700 0.057 0.000 0.783 344 Q N 0.915 120.757 119.800 0.069 0.000 2.016 344 Q HA -0.102 4.238 4.340 -0.001 0.000 0.200 344 Q C 2.264 178.306 176.000 0.071 0.000 0.978 344 Q CA 2.115 57.955 55.803 0.062 0.000 0.833 344 Q CB -1.391 27.375 28.738 0.047 0.000 0.895 344 Q HN 0.114 nan 8.270 nan 0.000 0.427 345 A N 0.776 123.652 122.820 0.093 0.000 1.859 345 A HA -0.292 4.028 4.320 -0.001 0.000 0.218 345 A C 2.222 179.835 177.584 0.049 0.000 1.209 345 A CA 2.603 54.702 52.037 0.104 0.000 0.639 345 A CB -1.155 17.968 19.000 0.206 0.000 0.835 345 A HN 0.626 nan 8.150 nan 0.000 0.450 346 M N 0.190 119.814 119.600 0.040 0.000 2.146 346 M HA -0.225 4.255 4.480 -0.001 0.000 0.256 346 M C 1.652 177.921 176.300 -0.052 0.000 1.075 346 M CA 2.598 57.843 55.300 -0.091 0.000 1.082 346 M CB -0.604 31.978 32.600 -0.031 0.000 1.355 346 M HN 0.596 nan 8.290 nan 0.000 0.402 347 D N -0.507 119.906 120.400 0.021 0.000 2.097 347 D HA -0.151 4.489 4.640 -0.001 0.000 0.195 347 D C 1.812 178.179 176.300 0.112 0.000 0.989 347 D CA 1.636 55.678 54.000 0.070 0.000 0.827 347 D CB 0.010 40.882 40.800 0.121 0.000 0.966 347 D HN 0.422 nan 8.370 nan 0.000 0.456 348 L N 0.657 121.934 121.223 0.090 0.000 2.056 348 L HA -0.120 4.220 4.340 -0.001 0.000 0.207 348 L C 2.689 179.613 176.870 0.089 0.000 1.078 348 L CA 0.777 55.678 54.840 0.101 0.000 0.749 348 L CB -0.614 41.462 42.059 0.028 0.000 0.901 348 L HN 0.080 nan 8.230 nan 0.000 0.433 349 L N -1.007 120.225 121.223 0.016 0.000 2.079 349 L HA -0.240 4.099 4.340 -0.001 0.000 0.210 349 L C 2.439 179.332 176.870 0.038 0.000 1.081 349 L CA 1.287 56.137 54.840 0.018 0.000 0.752 349 L CB -0.481 41.518 42.059 -0.101 0.000 0.896 349 L HN 0.233 nan 8.230 nan 0.000 0.433 350 I N -1.055 119.477 120.570 -0.064 0.000 2.614 350 I HA -0.226 3.943 4.170 -0.001 0.000 0.258 350 I C 1.261 177.233 176.117 -0.241 0.000 1.189 350 I CA 0.855 62.041 61.300 -0.189 0.000 1.462 350 I CB -0.116 37.694 38.000 -0.317 0.000 1.092 350 I HN 0.342 nan 8.210 nan 0.000 0.442 351 H N -1.349 117.839 119.070 0.196 0.000 2.503 351 H HA 0.243 4.799 4.556 -0.001 0.000 0.296 351 H C -0.525 175.135 175.328 0.554 0.000 1.097 351 H CA 0.052 56.275 56.048 0.292 0.000 1.055 351 H CB 0.277 30.170 29.762 0.219 0.000 1.580 351 H HN 0.330 nan 8.280 nan 0.000 0.546 352 Y N -0.190 120.395 120.300 0.475 0.000 2.707 352 Y HA 0.134 4.684 4.550 -0.000 0.000 0.234 352 Y C -0.665 175.438 175.900 0.339 0.000 2.113 352 Y CA -0.518 57.796 58.100 0.355 0.000 0.971 352 Y CB 0.452 38.787 38.460 -0.208 0.000 2.896 352 Y HN -0.057 nan 8.280 nan 0.000 0.340 353 D N 1.316 121.680 120.400 -0.060 0.000 2.697 353 D HA -0.201 4.438 4.640 -0.001 0.000 0.238 353 D C -0.292 175.971 176.300 -0.061 0.000 1.152 353 D CA 1.097 55.094 54.000 -0.005 0.000 0.666 353 D CB -0.760 40.167 40.800 0.212 0.000 1.037 353 D HN 0.481 nan 8.370 nan 0.000 0.423 354 W N -0.322 120.499 121.300 -0.799 0.000 2.702 354 W HA 0.105 4.765 4.660 0.000 0.000 0.310 354 W C -0.511 175.865 176.519 -0.239 0.000 1.084 354 W CA 0.682 57.773 57.345 -0.423 0.000 1.511 354 W CB -2.468 26.741 29.460 -0.418 0.000 1.223 354 W HN 0.102 nan 8.180 nan 0.000 0.482 355 P HA -0.069 nan 4.420 nan 0.000 0.217 355 P C 1.043 178.356 177.300 0.023 0.000 1.148 355 P CA 2.339 65.466 63.100 0.045 0.000 0.828 355 P CB -0.299 31.422 31.700 0.036 0.000 0.783 356 G N -1.047 107.764 108.800 0.019 0.000 4.804 356 G HA2 0.080 4.039 3.960 -0.001 0.000 0.310 356 G HA3 0.080 4.039 3.960 -0.001 0.000 0.310 356 G C 0.552 175.471 174.900 0.031 0.000 1.389 356 G CA -0.421 44.690 45.100 0.017 0.000 1.106 356 G HN 0.055 nan 8.290 nan 0.000 0.595 357 N N 0.671 119.392 118.700 0.034 0.000 0.963 357 N HA -0.298 4.442 4.740 -0.001 0.000 0.154 357 N C 1.569 177.124 175.510 0.074 0.000 0.287 357 N CA 1.687 54.769 53.050 0.052 0.000 0.877 357 N CB -0.220 38.290 38.487 0.038 0.000 1.599 357 N HN 0.182 nan 8.380 nan 0.000 1.072 358 I N 1.870 122.494 120.570 0.090 0.000 2.142 358 I HA -0.168 4.001 4.170 -0.001 0.000 0.240 358 I C 2.560 178.728 176.117 0.085 0.000 1.078 358 I CA 1.072 62.459 61.300 0.144 0.000 1.343 358 I CB -0.941 37.172 38.000 0.188 0.000 1.046 358 I HN 0.236 nan 8.210 nan 0.000 0.405 359 R N 0.408 120.941 120.500 0.056 0.000 2.159 359 R HA -0.289 4.051 4.340 -0.001 0.000 0.252 359 R C 2.193 178.485 176.300 -0.014 0.000 1.144 359 R CA 2.187 58.296 56.100 0.015 0.000 0.961 359 R CB -1.001 29.307 30.300 0.013 0.000 0.877 359 R HN 0.638 nan 8.270 nan 0.000 0.444 360 E N 0.507 120.714 120.200 0.012 0.000 2.015 360 E HA -0.189 4.161 4.350 -0.001 0.000 0.191 360 E C 2.090 178.694 176.600 0.006 0.000 0.991 360 E CA 1.152 57.562 56.400 0.017 0.000 0.802 360 E CB -0.329 29.405 29.700 0.057 0.000 0.759 360 E HN 0.130 nan 8.360 nan 0.000 0.447 361 L N 1.834 123.084 121.223 0.045 0.000 2.010 361 L HA -0.304 4.036 4.340 -0.001 0.000 0.219 361 L C 2.405 179.219 176.870 -0.093 0.000 1.077 361 L CA 2.724 57.595 54.840 0.050 0.000 0.773 361 L CB -0.834 41.310 42.059 0.142 0.000 0.892 361 L HN 0.407 nan 8.230 nan 0.000 0.436 362 E N -0.712 119.319 120.200 -0.282 0.000 2.086 362 E HA -0.337 4.013 4.350 -0.001 0.000 0.200 362 E C 2.071 178.472 176.600 -0.333 0.000 1.012 362 E CA 1.712 57.703 56.400 -0.682 0.000 0.812 362 E CB -0.401 28.938 29.700 -0.601 0.000 0.743 362 E HN 0.750 nan 8.360 nan 0.000 0.453 363 N N 0.813 119.394 118.700 -0.198 0.000 2.080 363 N HA -0.184 4.556 4.740 -0.001 0.000 0.189 363 N C 1.868 177.282 175.510 -0.159 0.000 1.036 363 N CA 1.979 54.925 53.050 -0.174 0.000 0.846 363 N CB -0.581 37.842 38.487 -0.106 0.000 1.015 363 N HN 0.198 nan 8.380 nan 0.000 0.423 364 A N 1.556 124.322 122.820 -0.091 0.000 1.927 364 A HA -0.135 4.184 4.320 -0.001 0.000 0.220 364 A C 2.569 180.126 177.584 -0.045 0.000 1.185 364 A CA 1.412 53.414 52.037 -0.058 0.000 0.639 364 A CB -0.762 18.228 19.000 -0.018 0.000 0.820 364 A HN 0.459 nan 8.150 nan 0.000 0.451 365 I N -1.216 119.337 120.570 -0.029 0.000 2.162 365 I HA -0.224 3.946 4.170 -0.001 0.000 0.238 365 I C 2.599 178.644 176.117 -0.121 0.000 1.076 365 I CA 1.702 63.033 61.300 0.052 0.000 1.353 365 I CB -0.482 37.653 38.000 0.225 0.000 1.063 365 I HN 0.584 nan 8.210 nan 0.000 0.408 366 E N 1.234 121.176 120.200 -0.429 0.000 2.169 366 E HA -0.343 4.007 4.350 -0.001 0.000 0.202 366 E C 2.292 178.627 176.600 -0.441 0.000 1.016 366 E CA 1.732 57.587 56.400 -0.907 0.000 0.817 366 E CB -0.094 28.670 29.700 -1.560 0.000 0.736 366 E HN 0.257 nan 8.360 nan 0.000 0.462 367 R N -0.022 120.307 120.500 -0.286 0.000 2.082 367 R HA -0.191 4.149 4.340 -0.001 0.000 0.234 367 R C 2.375 178.604 176.300 -0.118 0.000 1.136 367 R CA 1.707 57.703 56.100 -0.173 0.000 0.935 367 R CB -0.496 29.730 30.300 -0.122 0.000 0.842 367 R HN 0.252 nan 8.270 nan 0.000 0.430 368 A N 0.123 122.897 122.820 -0.078 0.000 1.917 368 A HA -0.161 4.159 4.320 -0.001 0.000 0.219 368 A C 2.306 179.862 177.584 -0.047 0.000 1.182 368 A CA 1.930 53.947 52.037 -0.034 0.000 0.633 368 A CB -0.683 18.333 19.000 0.026 0.000 0.819 368 A HN 0.276 nan 8.150 nan 0.000 0.448 369 V N -0.246 119.630 119.914 -0.063 0.000 2.307 369 V HA -0.227 3.893 4.120 -0.001 0.000 0.245 369 V C 2.582 178.642 176.094 -0.057 0.000 1.045 369 V CA 1.961 64.228 62.300 -0.054 0.000 1.024 369 V CB -0.771 31.040 31.823 -0.020 0.000 0.651 369 V HN 0.412 nan 8.190 nan 0.000 0.449 370 V N -0.113 119.752 119.914 -0.082 0.000 2.392 370 V HA -0.234 3.886 4.120 -0.001 0.000 0.249 370 V C 2.154 178.218 176.094 -0.050 0.000 1.059 370 V CA 1.697 63.958 62.300 -0.066 0.000 1.051 370 V CB -0.688 31.085 31.823 -0.084 0.000 0.658 370 V HN 0.457 nan 8.190 nan 0.000 0.455 371 L N -0.488 120.705 121.223 -0.050 0.000 2.492 371 L HA 0.155 4.494 4.340 -0.001 0.000 0.223 371 L C 0.991 177.845 176.870 -0.028 0.000 1.132 371 L CA -0.074 54.743 54.840 -0.037 0.000 0.850 371 L CB -0.154 41.883 42.059 -0.037 0.000 0.966 371 L HN 0.309 nan 8.230 nan 0.000 0.454 372 L N 1.969 123.173 121.223 -0.031 0.000 2.534 372 L HA 0.019 4.359 4.340 -0.001 0.000 0.271 372 L C 0.634 177.492 176.870 -0.020 0.000 1.178 372 L CA 0.662 55.487 54.840 -0.025 0.000 0.907 372 L CB 0.488 42.523 42.059 -0.039 0.000 1.164 372 L HN 0.083 nan 8.230 nan 0.000 0.482 373 T N 2.615 117.163 114.554 -0.010 0.000 3.336 373 T HA 0.788 5.138 4.350 -0.001 0.000 0.384 373 T C 0.281 174.982 174.700 0.002 0.000 1.704 373 T CA -0.031 62.065 62.100 -0.007 0.000 1.334 373 T CB 0.143 69.009 68.868 -0.004 0.000 1.131 373 T HN 1.142 nan 8.240 nan 0.000 0.684 374 G N 2.130 110.929 108.800 -0.001 0.000 2.260 374 G HA2 0.035 3.995 3.960 -0.001 0.000 0.250 374 G HA3 0.035 3.995 3.960 -0.001 0.000 0.250 374 G C -0.210 174.691 174.900 0.001 0.000 1.340 374 G CA -0.237 44.870 45.100 0.013 0.000 1.056 374 G HN 0.319 nan 8.290 nan 0.000 0.471 375 E N -1.031 119.194 120.200 0.041 0.000 2.175 375 E HA 0.212 4.562 4.350 -0.001 0.000 0.195 375 E C -0.247 176.267 176.600 -0.144 0.000 0.934 375 E CA 0.481 56.859 56.400 -0.036 0.000 0.870 375 E CB 0.453 30.148 29.700 -0.008 0.000 0.838 375 E HN 0.342 nan 8.360 nan 0.000 0.474 376 Y N 1.137 121.402 120.300 -0.059 0.000 2.331 376 Y HA 0.221 4.770 4.550 -0.001 0.000 0.338 376 Y C 0.144 175.997 175.900 -0.079 0.000 0.976 376 Y CA -1.627 56.425 58.100 -0.080 0.000 1.137 376 Y CB 0.673 39.113 38.460 -0.033 0.000 1.172 376 Y HN 0.031 nan 8.280 nan 0.000 0.478 377 I N 2.336 122.878 120.570 -0.047 0.000 2.648 377 I HA 0.450 4.619 4.170 -0.001 0.000 0.284 377 I C 0.197 176.394 176.117 0.134 0.000 1.153 377 I CA 0.218 61.519 61.300 0.002 0.000 1.426 377 I CB 0.281 38.241 38.000 -0.066 0.000 1.381 377 I HN 0.532 nan 8.210 nan 0.000 0.571 378 S N 3.844 119.612 115.700 0.114 0.000 2.851 378 S HA 0.436 4.905 4.470 -0.001 0.000 0.317 378 S C 0.809 175.461 174.600 0.086 0.000 1.144 378 S CA -0.082 58.186 58.200 0.113 0.000 0.862 378 S CB 0.739 63.982 63.200 0.072 0.000 1.259 378 S HN 0.805 nan 8.310 nan 0.000 0.564 379 E N 0.830 121.066 120.200 0.059 0.000 2.097 379 E HA -0.193 4.156 4.350 -0.001 0.000 0.196 379 E C 1.253 177.860 176.600 0.010 0.000 1.000 379 E CA 1.209 57.627 56.400 0.029 0.000 0.804 379 E CB -0.113 29.596 29.700 0.016 0.000 0.740 379 E HN 0.585 nan 8.360 nan 0.000 0.454 380 R N 0.494 121.001 120.500 0.011 0.000 2.541 380 R HA 0.072 4.411 4.340 -0.001 0.000 0.245 380 R C 0.143 176.441 176.300 -0.003 0.000 1.154 380 R CA 0.251 56.349 56.100 -0.003 0.000 1.179 380 R CB 0.030 30.327 30.300 -0.004 0.000 1.189 380 R HN 0.204 nan 8.270 nan 0.000 0.526 381 E N 0.609 120.812 120.200 0.007 0.000 2.641 381 E HA 0.256 4.606 4.350 -0.001 0.000 0.224 381 E C 0.182 176.780 176.600 -0.002 0.000 0.951 381 E CA -0.147 56.255 56.400 0.002 0.000 1.102 381 E CB 0.688 30.397 29.700 0.016 0.000 1.091 381 E HN 0.225 nan 8.360 nan 0.000 0.507 382 L N 2.635 123.854 121.223 -0.008 0.000 2.358 382 L HA 0.384 4.723 4.340 -0.001 0.000 0.268 382 L C -2.099 174.732 176.870 -0.065 0.000 1.032 382 L CA -2.165 52.658 54.840 -0.028 0.000 0.805 382 L CB 0.681 42.721 42.059 -0.033 0.000 1.253 382 L HN -0.197 nan 8.230 nan 0.000 0.452 383 P HA 0.045 nan 4.420 nan 0.000 0.267 383 P C 0.867 178.086 177.300 -0.135 0.000 1.205 383 P CA -0.077 62.960 63.100 -0.105 0.000 0.765 383 P CB 0.767 32.399 31.700 -0.113 0.000 0.828 384 L N 3.188 124.347 121.223 -0.108 0.000 2.011 384 L HA -0.348 3.992 4.340 -0.001 0.000 0.225 384 L C 2.615 179.389 176.870 -0.160 0.000 1.084 384 L CA 2.478 57.252 54.840 -0.110 0.000 0.791 384 L CB -1.645 40.365 42.059 -0.082 0.000 0.898 384 L HN 0.387 nan 8.230 nan 0.000 0.440 385 A N -0.129 122.583 122.820 -0.181 0.000 2.042 385 A HA -0.284 4.036 4.320 -0.001 0.000 0.222 385 A C 2.278 179.581 177.584 -0.469 0.000 1.167 385 A CA 1.947 53.834 52.037 -0.250 0.000 0.649 385 A CB -0.935 17.949 19.000 -0.194 0.000 0.809 385 A HN 0.558 nan 8.150 nan 0.000 0.457 386 I N 0.023 120.282 120.570 -0.519 0.000 2.130 386 I HA -0.361 3.809 4.170 -0.001 0.000 0.241 386 I C 1.628 177.470 176.117 -0.459 0.000 1.023 386 I CA 1.614 62.544 61.300 -0.615 0.000 1.293 386 I CB -0.514 37.297 38.000 -0.315 0.000 1.001 386 I HN 0.392 nan 8.210 nan 0.000 0.407 387 A N 1.881 124.545 122.820 -0.260 0.000 3.157 387 A HA 0.300 4.620 4.320 -0.001 0.000 0.290 387 A C 0.306 177.819 177.584 -0.118 0.000 1.945 387 A CA 0.988 52.936 52.037 -0.149 0.000 1.315 387 A CB -1.354 17.584 19.000 -0.104 0.000 0.895 387 A HN 0.575 nan 8.150 nan 0.000 0.588 388 A N 2.221 124.990 122.820 -0.086 0.000 2.355 388 A HA 0.754 5.074 4.320 -0.001 0.000 0.324 388 A C 0.481 178.095 177.584 0.051 0.000 1.117 388 A CA 0.065 52.096 52.037 -0.011 0.000 0.785 388 A CB 0.765 19.778 19.000 0.023 0.000 1.254 388 A HN 1.357 nan 8.150 nan 0.000 0.453 389 T N 1.688 116.288 114.554 0.076 0.000 2.738 389 T HA 0.543 4.893 4.350 -0.001 0.000 0.294 389 T C -1.183 173.531 174.700 0.023 0.000 0.914 389 T CA -0.765 61.364 62.100 0.047 0.000 1.052 389 T CB -0.075 68.819 68.868 0.043 0.000 0.897 389 T HN 0.609 nan 8.240 nan 0.000 0.522 390 P HA 0.661 nan 4.420 nan 0.000 0.346 390 P C 0.886 178.165 177.300 -0.036 0.000 1.306 390 P CA -0.656 62.416 63.100 -0.047 0.000 0.778 390 P CB 0.115 31.806 31.700 -0.016 0.000 1.710 391 I N -2.061 118.487 120.570 -0.036 0.000 3.468 391 I HA 0.606 4.776 4.170 -0.001 0.000 0.276 391 I C 0.888 177.001 176.117 -0.007 0.000 1.182 391 I CA -0.263 61.024 61.300 -0.021 0.000 0.881 391 I CB -1.368 36.621 38.000 -0.017 0.000 1.609 391 I HN 0.851 nan 8.210 nan 0.000 0.780 399 I N 1.605 122.176 120.570 0.001 0.000 2.476 399 I HA 0.815 4.984 4.170 -0.001 0.000 0.281 399 I C -0.434 175.684 176.117 0.001 0.000 1.040 399 I CA -0.982 60.319 61.300 0.001 0.000 1.094 399 I CB 1.407 39.408 38.000 0.001 0.000 1.219 399 I HN 0.141 nan 8.210 nan 0.000 0.450 400 Q N 5.739 125.540 119.800 0.001 0.000 2.256 400 Q HA 0.594 4.934 4.340 -0.001 0.000 0.257 400 Q C -2.470 173.530 176.000 0.001 0.000 0.936 400 Q CA -1.973 53.831 55.803 0.001 0.000 0.903 400 Q CB 2.062 30.801 28.738 0.001 0.000 1.263 400 Q HN 0.725 nan 8.270 nan 0.000 0.440 401 P HA 0.017 nan 4.420 nan 0.000 0.265 401 P C 0.919 178.220 177.300 0.001 0.000 1.193 401 P CA -0.019 63.081 63.100 0.001 0.000 0.765 401 P CB 0.884 32.584 31.700 0.001 0.000 0.823 402 L N 2.881 124.104 121.223 0.001 0.000 1.963 402 L HA -0.260 4.080 4.340 -0.001 0.000 0.220 402 L C 2.394 179.265 176.870 0.001 0.000 1.076 402 L CA 1.903 56.744 54.840 0.001 0.000 0.772 402 L CB -0.949 41.110 42.059 0.001 0.000 0.892 402 L HN 0.163 nan 8.230 nan 0.000 0.435 403 V N -0.067 119.847 119.914 0.001 0.000 2.402 403 V HA -0.402 3.718 4.120 -0.001 0.000 0.264 403 V C 1.685 177.780 176.094 0.001 0.000 1.112 403 V CA 2.446 64.747 62.300 0.001 0.000 1.110 403 V CB -0.922 30.901 31.823 0.001 0.000 0.689 403 V HN 0.555 nan 8.190 nan 0.000 0.459 404 D N -0.883 119.518 120.400 0.001 0.000 2.338 404 D HA 0.021 4.660 4.640 -0.001 0.000 0.224 404 D C 2.013 178.313 176.300 0.001 0.000 0.967 404 D CA 0.748 54.749 54.000 0.001 0.000 0.896 404 D CB -0.199 40.602 40.800 0.001 0.000 1.028 404 D HN 0.252 nan 8.370 nan 0.000 0.493 405 V N 2.073 121.988 119.914 0.001 0.000 2.453 405 V HA -0.272 3.847 4.120 -0.001 0.000 0.252 405 V C 2.385 178.479 176.094 0.001 0.000 1.068 405 V CA 2.192 64.493 62.300 0.001 0.000 1.070 405 V CB -0.797 31.027 31.823 0.001 0.000 0.664 405 V HN 0.393 nan 8.190 nan 0.000 0.461 406 E N 0.511 120.712 120.200 0.001 0.000 2.076 406 E HA -0.219 4.130 4.350 -0.001 0.000 0.190 406 E C 2.127 178.727 176.600 0.001 0.000 0.979 406 E CA 1.020 57.420 56.400 0.001 0.000 0.807 406 E CB -0.360 29.340 29.700 0.001 0.000 0.761 406 E HN 0.503 nan 8.360 nan 0.000 0.454 407 K N 0.715 121.115 120.400 0.001 0.000 2.281 407 K HA -0.183 4.137 4.320 -0.001 0.000 0.203 407 K C 2.138 178.738 176.600 0.001 0.000 1.046 407 K CA 1.510 57.797 56.287 0.001 0.000 0.938 407 K CB -0.031 32.469 32.500 0.001 0.000 0.737 407 K HN 0.306 nan 8.250 nan 0.000 0.458 408 E N 0.465 120.665 120.200 0.001 0.000 2.046 408 E HA -0.146 4.204 4.350 -0.001 0.000 0.190 408 E C 1.809 178.410 176.600 0.001 0.000 0.982 408 E CA 0.953 57.354 56.400 0.002 0.000 0.800 408 E CB 0.237 29.938 29.700 0.002 0.000 0.756 408 E HN 0.013 nan 8.360 nan 0.000 0.449 409 V N 2.594 122.509 119.914 0.001 0.000 2.307 409 V HA -0.218 3.902 4.120 -0.001 0.000 0.245 409 V C 2.466 178.560 176.094 0.001 0.000 1.045 409 V CA 1.767 64.068 62.300 0.001 0.000 1.024 409 V CB -0.579 31.244 31.823 0.001 0.000 0.651 409 V HN 0.536 nan 8.190 nan 0.000 0.449 410 I N -1.732 118.838 120.570 0.001 0.000 3.605 410 I HA -0.003 4.167 4.170 -0.001 0.000 0.301 410 I C 1.617 177.735 176.117 0.001 0.000 1.267 410 I CA 1.009 62.309 61.300 0.000 0.000 1.236 410 I CB -0.058 37.943 38.000 0.000 0.000 1.010 410 I HN 0.204 nan 8.210 nan 0.000 0.491 411 L N 0.756 121.980 121.223 0.001 0.000 2.609 411 L HA 0.349 4.688 4.340 -0.001 0.000 0.230 411 L C 2.560 179.430 176.870 0.001 0.000 1.064 411 L CA 1.392 56.232 54.840 0.001 0.000 0.873 411 L CB -0.228 41.832 42.059 0.001 0.000 1.139 411 L HN 0.362 nan 8.230 nan 0.000 0.490 412 A N 0.138 122.959 122.820 0.001 0.000 1.854 412 A HA -0.029 4.291 4.320 -0.001 0.000 0.214 412 A C 2.455 180.039 177.584 0.001 0.000 1.192 412 A CA 1.576 53.614 52.037 0.001 0.000 0.611 412 A CB -0.661 18.340 19.000 0.001 0.000 0.832 412 A HN 0.349 nan 8.150 nan 0.000 0.442 413 A N -0.206 122.614 122.820 0.000 0.000 1.869 413 A HA -0.191 4.129 4.320 -0.001 0.000 0.218 413 A C 2.033 179.617 177.584 -0.000 0.000 1.203 413 A CA 2.068 54.105 52.037 -0.000 0.000 0.638 413 A CB -0.925 18.075 19.000 -0.000 0.000 0.831 413 A HN 0.441 nan 8.150 nan 0.000 0.450 414 L N -0.443 120.780 121.223 0.000 0.000 2.034 414 L HA -0.244 4.095 4.340 -0.001 0.000 0.217 414 L C 2.487 179.357 176.870 0.000 0.000 1.077 414 L CA 2.579 57.419 54.840 0.000 0.000 0.769 414 L CB -1.093 40.966 42.059 0.001 0.000 0.890 414 L HN 0.579 nan 8.230 nan 0.000 0.435 415 E N 0.076 120.276 120.200 0.001 0.000 2.051 415 E HA -0.185 4.165 4.350 -0.001 0.000 0.192 415 E C 2.102 178.702 176.600 0.000 0.000 0.991 415 E CA 1.959 58.359 56.400 0.001 0.000 0.799 415 E CB -0.207 29.494 29.700 0.001 0.000 0.748 415 E HN 0.396 nan 8.360 nan 0.000 0.449 416 K N -0.143 120.257 120.400 -0.000 0.000 2.616 416 K HA 0.008 4.328 4.320 -0.001 0.000 0.192 416 K C 1.392 177.991 176.600 -0.001 0.000 1.031 416 K CA 1.469 57.755 56.287 -0.001 0.000 1.004 416 K CB -0.992 31.507 32.500 -0.001 0.000 0.810 416 K HN 0.399 nan 8.250 nan 0.000 0.497 417 T N -5.371 109.182 114.554 -0.001 0.000 3.403 417 T HA 0.403 4.752 4.350 -0.001 0.000 0.308 417 T C 1.040 175.740 174.700 -0.000 0.000 0.952 417 T CA 0.519 62.619 62.100 -0.001 0.000 0.970 417 T CB -0.220 68.647 68.868 -0.001 0.000 1.189 417 T HN 1.305 nan 8.240 nan 0.000 0.528 418 G N 1.123 109.923 108.800 0.000 0.000 2.359 418 G HA2 0.203 4.163 3.960 -0.001 0.000 0.298 418 G HA3 0.203 4.163 3.960 -0.001 0.000 0.298 418 G C 1.208 176.108 174.900 0.000 0.000 1.030 418 G CA 0.264 45.364 45.100 0.000 0.000 1.149 418 G HN 1.847 nan 8.290 nan 0.000 0.512 419 G N -0.469 108.331 108.800 0.000 0.000 2.233 419 G HA2 -0.358 3.602 3.960 -0.001 0.000 0.270 419 G HA3 -0.358 3.602 3.960 -0.001 0.000 0.270 419 G C 0.464 175.364 174.900 0.000 0.000 1.011 419 G CA 0.841 45.941 45.100 0.000 0.000 0.762 419 G HN 1.675 nan 8.290 nan 0.000 0.511 420 N N 0.439 119.139 118.700 0.000 0.000 2.439 420 N HA 0.254 4.994 4.740 -0.001 0.000 0.243 420 N C 1.537 177.047 175.510 -0.000 0.000 1.088 420 N CA -0.026 53.024 53.050 -0.000 0.000 0.940 420 N CB 0.411 38.898 38.487 -0.000 0.000 1.180 420 N HN 0.478 nan 8.380 nan 0.000 0.505 421 K N 1.598 121.998 120.400 -0.000 0.000 1.985 421 K HA -0.108 4.212 4.320 -0.001 0.000 0.210 421 K C 1.472 178.071 176.600 -0.000 0.000 1.047 421 K CA 1.768 58.055 56.287 -0.000 0.000 0.932 421 K CB -0.230 32.270 32.500 0.000 0.000 0.716 421 K HN 0.453 nan 8.250 nan 0.000 0.439 422 T N 1.261 115.815 114.554 -0.000 0.000 2.653 422 T HA -0.222 4.128 4.350 -0.001 0.000 0.268 422 T C 1.793 176.493 174.700 -0.001 0.000 1.035 422 T CA 1.918 64.018 62.100 -0.000 0.000 1.154 422 T CB -0.261 68.606 68.868 -0.000 0.000 0.862 422 T HN 0.265 nan 8.240 nan 0.000 0.441 423 E N 1.313 121.512 120.200 -0.001 0.000 2.007 423 E HA -0.051 4.298 4.350 -0.001 0.000 0.194 423 E C 2.371 178.970 176.600 -0.001 0.000 0.999 423 E CA 1.570 57.969 56.400 -0.001 0.000 0.811 423 E CB -0.932 28.767 29.700 -0.001 0.000 0.762 423 E HN 0.375 nan 8.360 nan 0.000 0.450 424 A N 1.181 124.000 122.820 -0.001 0.000 1.881 424 A HA -0.282 4.037 4.320 -0.001 0.000 0.219 424 A C 2.519 180.102 177.584 -0.001 0.000 1.215 424 A CA 3.476 55.512 52.037 -0.001 0.000 0.648 424 A CB -1.555 17.444 19.000 -0.000 0.000 0.832 424 A HN 0.444 nan 8.150 nan 0.000 0.455 425 A N -0.804 122.015 122.820 -0.001 0.000 1.884 425 A HA -0.278 4.042 4.320 -0.001 0.000 0.219 425 A C 2.253 179.836 177.584 -0.001 0.000 1.197 425 A CA 2.309 54.345 52.037 -0.001 0.000 0.637 425 A CB -0.677 18.323 19.000 -0.000 0.000 0.827 425 A HN 0.607 nan 8.150 nan 0.000 0.450 426 R N -0.627 119.873 120.500 -0.001 0.000 2.140 426 R HA -0.249 4.091 4.340 -0.001 0.000 0.250 426 R C 2.377 178.676 176.300 -0.001 0.000 1.150 426 R CA 2.222 58.321 56.100 -0.001 0.000 0.966 426 R CB -0.296 30.003 30.300 -0.001 0.000 0.869 426 R HN 0.749 nan 8.270 nan 0.000 0.445 427 Q N -0.250 119.549 119.800 -0.001 0.000 2.187 427 Q HA -0.053 4.286 4.340 -0.001 0.000 0.199 427 Q C 2.096 178.095 176.000 -0.002 0.000 0.957 427 Q CA 0.919 56.721 55.803 -0.002 0.000 0.857 427 Q CB 0.143 28.879 28.738 -0.002 0.000 0.929 427 Q HN 0.410 nan 8.270 nan 0.000 0.453 428 L N -0.335 120.887 121.223 -0.001 0.000 2.551 428 L HA 0.053 4.393 4.340 -0.001 0.000 0.228 428 L C 1.068 177.937 176.870 -0.001 0.000 1.153 428 L CA 0.508 55.347 54.840 -0.001 0.000 0.851 428 L CB -0.357 41.702 42.059 -0.001 0.000 0.959 428 L HN 0.355 nan 8.230 nan 0.000 0.451 429 G N 1.678 110.478 108.800 -0.001 0.000 2.198 429 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.257 429 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.257 429 G C 0.063 174.963 174.900 -0.001 0.000 1.042 429 G CA 0.536 45.635 45.100 -0.001 0.000 0.791 429 G HN 0.502 nan 8.290 nan 0.000 0.502 430 I N -3.738 116.831 120.570 -0.001 0.000 2.865 430 I HA 0.722 4.892 4.170 -0.001 0.000 0.302 430 I C 0.282 176.399 176.117 -0.001 0.000 1.140 430 I CA -1.170 60.130 61.300 -0.001 0.000 1.021 430 I CB 1.754 39.753 38.000 -0.001 0.000 1.233 430 I HN -0.046 nan 8.210 nan 0.000 0.427 431 T N 3.281 117.835 114.554 -0.001 0.000 2.946 431 T HA 0.041 4.391 4.350 -0.001 0.000 0.311 431 T C 1.214 175.913 174.700 -0.000 0.000 1.063 431 T CA 0.203 62.303 62.100 -0.000 0.000 1.139 431 T CB 0.772 69.640 68.868 -0.000 0.000 0.994 431 T HN 0.751 nan 8.240 nan 0.000 0.547 432 R N 2.619 123.119 120.500 -0.000 0.000 2.094 432 R HA -0.174 4.165 4.340 -0.001 0.000 0.239 432 R C 2.315 178.615 176.300 -0.000 0.000 1.137 432 R CA 1.990 58.090 56.100 -0.000 0.000 0.943 432 R CB -0.183 30.117 30.300 -0.000 0.000 0.850 432 R HN 0.638 nan 8.270 nan 0.000 0.433 433 K N -0.527 119.873 120.400 -0.000 0.000 2.152 433 K HA -0.142 4.177 4.320 -0.001 0.000 0.206 433 K C 1.755 178.355 176.600 -0.000 0.000 1.048 433 K CA 1.941 58.228 56.287 -0.000 0.000 0.933 433 K CB -0.099 32.401 32.500 -0.000 0.000 0.721 433 K HN 0.236 nan 8.250 nan 0.000 0.447 434 T N 2.016 116.570 114.554 -0.000 0.000 2.622 434 T HA -0.177 4.173 4.350 -0.001 0.000 0.266 434 T C 1.772 176.472 174.700 -0.000 0.000 1.047 434 T CA 1.524 63.623 62.100 -0.000 0.000 1.159 434 T CB -0.256 68.612 68.868 -0.000 0.000 0.863 434 T HN 0.307 nan 8.240 nan 0.000 0.422 435 L N 0.707 121.930 121.223 -0.000 0.000 2.013 435 L HA -0.129 4.210 4.340 -0.001 0.000 0.212 435 L C 2.342 179.212 176.870 0.000 0.000 1.073 435 L CA 1.540 56.380 54.840 -0.000 0.000 0.753 435 L CB -0.421 41.638 42.059 -0.000 0.000 0.890 435 L HN 0.289 nan 8.230 nan 0.000 0.432 436 L N -0.546 120.677 121.223 0.000 0.000 2.043 436 L HA -0.280 4.060 4.340 -0.001 0.000 0.212 436 L C 2.740 179.610 176.870 0.000 0.000 1.075 436 L CA 1.436 56.276 54.840 0.000 0.000 0.752 436 L CB -0.805 41.254 42.059 0.000 0.000 0.891 436 L HN 0.473 nan 8.230 nan 0.000 0.432 437 A N -0.354 122.466 122.820 0.000 0.000 1.854 437 A HA -0.174 4.146 4.320 -0.001 0.000 0.214 437 A C 2.226 179.810 177.584 0.000 0.000 1.192 437 A CA 1.212 53.249 52.037 0.000 0.000 0.611 437 A CB -0.350 18.651 19.000 0.000 0.000 0.832 437 A HN 0.249 nan 8.150 nan 0.000 0.442 438 K N -0.581 119.820 120.400 0.000 0.000 2.293 438 K HA -0.184 4.135 4.320 -0.001 0.000 0.204 438 K C 0.933 177.533 176.600 0.000 0.000 1.045 438 K CA 1.643 57.930 56.287 0.000 0.000 0.933 438 K CB -0.394 32.106 32.500 0.000 0.000 0.736 438 K HN 0.611 nan 8.250 nan 0.000 0.463 439 L N -3.635 117.589 121.223 0.000 0.000 2.857 439 L HA 0.295 4.634 4.340 -0.001 0.000 0.249 439 L C 0.418 177.288 176.870 0.001 0.000 1.172 439 L CA 0.253 55.093 54.840 0.001 0.000 0.980 439 L CB 1.075 43.134 42.059 0.001 0.000 1.299 439 L HN -0.254 nan 8.230 nan 0.000 0.535 440 S N -0.397 115.303 115.700 0.000 0.000 2.902 440 S HA 0.405 4.875 4.470 -0.001 0.000 0.250 440 S C 0.583 175.183 174.600 0.000 0.000 1.046 440 S CA -0.599 57.601 58.200 0.000 0.000 1.069 440 S CB 0.322 63.522 63.200 0.000 0.000 0.967 440 S HN 0.333 nan 8.310 nan 0.000 0.530 441 R N 0.000 120.500 120.500 0.000 0.000 2.786 441 R HA 0.000 4.340 4.340 -0.001 0.000 0.208 441 R CA 0.000 56.100 56.100 0.000 0.000 0.921 441 R CB 0.000 30.300 30.300 0.000 0.000 0.687 441 R HN 0.000 nan 8.270 nan 0.000 0.535