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_F DATA FIRST_RESID 140 DATA SEQUENCE HMIGSSPAMQ HLLNEIAMVA PSDATVLIHG DSGTGKELVA RALHACSARS DATA SEQUENCE DRPLVTLNCA ALNESLLESE LFGHEKGAFT XXXKRREGRF VEADGGTLFL DATA SEQUENCE DEIGDISPLM QVRLLRAIQE REVQRVGSNQ TISVDVRLIA ATHRDLAEEV DATA SEQUENCE SAGRFRQDLY YRLNVVAIEM PSLRQRREDI PLLADHFLRR FAERNRKVVK DATA SEQUENCE GFTPQAMDLL IHYDWPGNIR ELENAIERAV VLLTGEYISE RELPLAIAAT 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 0.000 175.288 175.328 -0.067 0.000 0.993 140 H CA 0.000 56.019 56.048 -0.048 0.000 1.023 140 H CB 0.000 29.734 29.762 -0.047 0.000 1.292 141 M N -0.378 119.179 119.600 -0.072 0.000 2.361 141 M HA 0.560 5.040 4.480 -0.000 0.000 0.274 141 M C -2.251 174.001 176.300 -0.080 0.000 1.035 141 M CA -0.903 54.345 55.300 -0.088 0.000 0.907 141 M CB 0.756 33.315 32.600 -0.068 0.000 1.971 141 M HN 0.034 nan 8.290 nan 0.000 0.494 142 I N 3.275 123.780 120.570 -0.108 0.000 2.692 142 I HA 0.684 4.854 4.170 -0.000 0.000 0.284 142 I C 1.224 177.315 176.117 -0.043 0.000 1.159 142 I CA 1.881 63.133 61.300 -0.080 0.000 1.423 142 I CB 0.480 38.420 38.000 -0.099 0.000 1.380 142 I HN 0.995 nan 8.210 nan 0.000 0.580 143 G N 3.721 112.505 108.800 -0.026 0.000 2.730 143 G HA2 0.047 4.007 3.960 -0.000 0.000 0.686 143 G HA3 0.047 4.007 3.960 -0.000 0.000 0.686 143 G C -0.545 174.352 174.900 -0.005 0.000 1.343 143 G CA -0.295 44.799 45.100 -0.011 0.000 0.826 143 G HN 0.871 nan 8.290 nan 0.000 0.582 144 S N -0.491 115.210 115.700 0.003 0.000 2.677 144 S HA 0.855 5.325 4.470 -0.000 0.000 0.283 144 S C -0.147 174.461 174.600 0.013 0.000 1.159 144 S CA 0.769 58.974 58.200 0.008 0.000 1.001 144 S CB 0.979 64.184 63.200 0.009 0.000 1.032 144 S HN 2.313 nan 8.310 nan 0.000 0.487 145 S N 4.840 120.550 115.700 0.017 0.000 2.564 145 S HA 0.704 5.174 4.470 -0.000 0.000 0.274 145 S C -2.228 172.388 174.600 0.026 0.000 1.124 145 S CA -1.313 56.899 58.200 0.020 0.000 0.869 145 S CB 1.736 64.948 63.200 0.020 0.000 1.105 145 S HN 0.421 nan 8.310 nan 0.000 0.472 146 P HA -0.355 nan 4.420 nan 0.000 0.222 146 P C 1.609 178.943 177.300 0.056 0.000 1.147 146 P CA 2.942 66.060 63.100 0.030 0.000 0.958 146 P CB -0.562 31.149 31.700 0.018 0.000 0.788 147 A N -0.370 122.482 122.820 0.053 0.000 1.849 147 A HA -0.261 4.059 4.320 -0.000 0.000 0.217 147 A C 2.421 180.048 177.584 0.071 0.000 1.202 147 A CA 3.228 55.312 52.037 0.078 0.000 0.629 147 A CB -1.681 17.349 19.000 0.049 0.000 0.834 147 A HN 0.205 nan 8.150 nan 0.000 0.447 148 M N -0.349 119.274 119.600 0.038 0.000 2.260 148 M HA -0.214 4.266 4.480 -0.000 0.000 0.261 148 M C 2.043 178.361 176.300 0.030 0.000 1.066 148 M CA 2.152 57.465 55.300 0.021 0.000 1.082 148 M CB -0.716 31.889 32.600 0.010 0.000 1.388 148 M HN 0.624 nan 8.290 nan 0.000 0.419 149 Q N -1.181 118.648 119.800 0.050 0.000 1.990 149 Q HA -0.241 4.099 4.340 -0.000 0.000 0.200 149 Q C 2.213 178.270 176.000 0.096 0.000 0.980 149 Q CA 2.040 57.877 55.803 0.056 0.000 0.832 149 Q CB -0.461 28.308 28.738 0.051 0.000 0.897 149 Q HN 0.777 nan 8.270 nan 0.000 0.427 150 H N 0.175 119.243 119.070 -0.003 0.000 2.267 150 H HA -0.219 4.336 4.556 -0.000 0.000 0.291 150 H C 2.193 177.520 175.328 -0.003 0.000 1.094 150 H CA 1.592 57.639 56.048 -0.002 0.000 1.227 150 H CB -0.212 29.550 29.762 -0.001 0.000 1.351 150 H HN 0.330 nan 8.280 nan 0.000 0.483 151 L N 1.013 122.172 121.223 -0.108 0.000 2.103 151 L HA -0.245 4.095 4.340 -0.000 0.000 0.215 151 L C 2.455 179.264 176.870 -0.101 0.000 1.080 151 L CA 1.651 56.391 54.840 -0.166 0.000 0.764 151 L CB -0.530 41.475 42.059 -0.090 0.000 0.890 151 L HN 0.418 nan 8.230 nan 0.000 0.435 152 L N -1.003 120.194 121.223 -0.043 0.000 2.023 152 L HA -0.216 4.124 4.340 -0.000 0.000 0.205 152 L C 2.466 179.324 176.870 -0.020 0.000 1.073 152 L CA 1.333 56.156 54.840 -0.028 0.000 0.745 152 L CB -1.193 40.859 42.059 -0.011 0.000 0.900 152 L HN 0.323 nan 8.230 nan 0.000 0.435 153 N N 0.621 119.325 118.700 0.006 0.000 2.049 153 N HA -0.268 4.472 4.740 -0.000 0.000 0.198 153 N C 1.730 177.240 175.510 -0.001 0.000 1.030 153 N CA 2.213 55.279 53.050 0.027 0.000 0.870 153 N CB -0.021 38.524 38.487 0.096 0.000 1.045 153 N HN 0.478 nan 8.380 nan 0.000 0.434 154 E N 0.517 120.688 120.200 -0.048 0.000 2.012 154 E HA -0.166 4.184 4.350 -0.000 0.000 0.197 154 E C 2.309 178.879 176.600 -0.050 0.000 1.007 154 E CA 1.291 57.649 56.400 -0.071 0.000 0.816 154 E CB -0.311 29.288 29.700 -0.168 0.000 0.762 154 E HN 0.424 nan 8.360 nan 0.000 0.451 155 I N 1.673 122.208 120.570 -0.059 0.000 2.143 155 I HA -0.378 3.792 4.170 -0.000 0.000 0.245 155 I C 2.653 178.751 176.117 -0.032 0.000 1.068 155 I CA 1.376 62.649 61.300 -0.045 0.000 1.326 155 I CB -0.662 37.310 38.000 -0.047 0.000 1.028 155 I HN 0.119 nan 8.210 nan 0.000 0.412 156 A N 0.571 123.376 122.820 -0.026 0.000 1.834 156 A HA -0.299 4.020 4.320 -0.000 0.000 0.216 156 A C 2.304 179.880 177.584 -0.014 0.000 1.203 156 A CA 2.294 54.320 52.037 -0.017 0.000 0.621 156 A CB -0.807 18.187 19.000 -0.010 0.000 0.841 156 A HN 0.389 nan 8.150 nan 0.000 0.446 157 M N -0.073 119.522 119.600 -0.009 0.000 2.352 157 M HA -0.187 4.293 4.480 -0.000 0.000 0.260 157 M C 1.939 178.233 176.300 -0.010 0.000 1.068 157 M CA 2.563 57.860 55.300 -0.005 0.000 1.082 157 M CB -0.947 31.655 32.600 0.003 0.000 1.262 157 M HN 0.133 nan 8.290 nan 0.000 0.444 158 V N 0.418 120.324 119.914 -0.014 0.000 2.490 158 V HA -0.239 3.881 4.120 -0.000 0.000 0.250 158 V C 2.562 178.646 176.094 -0.017 0.000 1.061 158 V CA 1.596 63.888 62.300 -0.014 0.000 1.064 158 V CB -1.833 29.980 31.823 -0.018 0.000 0.670 158 V HN 0.716 nan 8.190 nan 0.000 0.461 159 A N 0.298 123.104 122.820 -0.023 0.000 1.915 159 A HA -0.155 4.164 4.320 -0.000 0.000 0.220 159 A C -0.712 176.854 177.584 -0.031 0.000 1.198 159 A CA 1.118 53.137 52.037 -0.030 0.000 0.647 159 A CB -2.049 16.929 19.000 -0.036 0.000 0.825 159 A HN 0.500 nan 8.150 nan 0.000 0.456 160 P HA -0.095 nan 4.420 nan 0.000 0.263 160 P C 1.032 178.319 177.300 -0.022 0.000 1.145 160 P CA 1.088 64.173 63.100 -0.025 0.000 0.755 160 P CB 0.248 31.938 31.700 -0.017 0.000 0.746 161 S N 2.972 118.657 115.700 -0.025 0.000 2.429 161 S HA -0.335 4.134 4.470 -0.000 0.000 0.263 161 S C 1.612 176.208 174.600 -0.006 0.000 1.084 161 S CA 2.329 60.516 58.200 -0.021 0.000 1.284 161 S CB -1.020 62.169 63.200 -0.019 0.000 1.192 161 S HN 0.751 nan 8.310 nan 0.000 0.436 162 D N 0.723 121.123 120.400 0.000 0.000 2.354 162 D HA 0.065 4.705 4.640 -0.000 0.000 0.216 162 D C 0.353 176.663 176.300 0.017 0.000 0.970 162 D CA 0.971 54.977 54.000 0.011 0.000 0.905 162 D CB -0.187 40.620 40.800 0.010 0.000 0.903 162 D HN 0.474 nan 8.370 nan 0.000 0.508 163 A N -0.812 122.015 122.820 0.013 0.000 2.282 163 A HA 0.590 4.910 4.320 -0.000 0.000 0.319 163 A C 0.452 178.053 177.584 0.028 0.000 1.121 163 A CA -0.595 51.453 52.037 0.018 0.000 0.836 163 A CB 0.954 19.959 19.000 0.010 0.000 1.146 163 A HN 0.201 nan 8.150 nan 0.000 0.494 164 T N -0.222 114.354 114.554 0.035 0.000 2.847 164 T HA 0.576 4.926 4.350 -0.000 0.000 0.279 164 T C -0.594 174.126 174.700 0.033 0.000 0.984 164 T CA -0.340 61.789 62.100 0.048 0.000 0.988 164 T CB 1.136 70.040 68.868 0.060 0.000 1.040 164 T HN 0.721 nan 8.240 nan 0.000 0.528 165 V N 1.756 121.695 119.914 0.042 0.000 2.739 165 V HA 0.302 4.422 4.120 -0.000 0.000 0.293 165 V C -1.392 174.731 176.094 0.048 0.000 1.199 165 V CA -0.828 61.490 62.300 0.030 0.000 0.931 165 V CB 1.848 33.685 31.823 0.024 0.000 1.052 165 V HN 0.712 nan 8.190 nan 0.000 0.441 166 L N 6.699 127.939 121.223 0.028 0.000 2.295 166 L HA 0.713 5.052 4.340 -0.000 0.000 0.285 166 L C -0.587 176.320 176.870 0.061 0.000 1.035 166 L CA 0.247 55.112 54.840 0.042 0.000 0.806 166 L CB 1.295 43.350 42.059 -0.006 0.000 1.214 166 L HN 0.570 nan 8.230 nan 0.000 0.426 167 I N 4.981 125.609 120.570 0.096 0.000 2.339 167 I HA 0.292 4.462 4.170 -0.000 0.000 0.290 167 I C -0.657 175.534 176.117 0.123 0.000 0.994 167 I CA -0.576 60.782 61.300 0.096 0.000 1.191 167 I CB 1.180 39.239 38.000 0.099 0.000 1.343 167 I HN 0.667 nan 8.210 nan 0.000 0.458 168 H N 5.159 124.240 119.070 0.019 0.000 2.502 168 H HA 0.860 5.416 4.556 -0.000 0.000 0.338 168 H C -0.318 175.028 175.328 0.030 0.000 1.155 168 H CA -0.332 55.728 56.048 0.019 0.000 1.237 168 H CB 1.769 31.535 29.762 0.005 0.000 1.534 168 H HN 0.720 nan 8.280 nan 0.000 0.523 169 G N 3.285 111.659 108.800 -0.709 0.000 2.351 169 G HA2 0.093 4.052 3.960 -0.000 0.000 0.296 169 G HA3 0.093 4.052 3.960 -0.000 0.000 0.296 169 G C -1.559 173.177 174.900 -0.273 0.000 1.685 169 G CA -0.904 43.906 45.100 -0.484 0.000 0.936 169 G HN 0.713 nan 8.290 nan 0.000 0.714 170 D N 0.931 121.208 120.400 -0.204 0.000 2.563 170 D HA 0.244 4.884 4.640 -0.000 0.000 0.229 170 D C 1.480 177.727 176.300 -0.089 0.000 1.159 170 D CA 1.262 55.196 54.000 -0.109 0.000 0.869 170 D CB 0.974 41.720 40.800 -0.089 0.000 1.203 170 D HN 0.729 nan 8.370 nan 0.000 0.478 171 S N 0.145 115.774 115.700 -0.117 0.000 2.576 171 S HA 0.467 4.937 4.470 -0.000 0.000 0.276 171 S C 1.103 175.663 174.600 -0.067 0.000 1.339 171 S CA 0.070 58.217 58.200 -0.088 0.000 1.039 171 S CB 1.580 64.685 63.200 -0.158 0.000 0.902 171 S HN 0.862 nan 8.310 nan 0.000 0.516 172 G N 0.359 109.142 108.800 -0.028 0.000 2.159 172 G HA2 -0.078 3.881 3.960 -0.000 0.000 0.170 172 G HA3 -0.078 3.881 3.960 -0.000 0.000 0.170 172 G C 0.101 175.003 174.900 0.003 0.000 1.007 172 G CA 0.171 45.263 45.100 -0.013 0.000 0.672 172 G HN 1.535 nan 8.290 nan 0.000 0.507 173 T N -1.975 112.579 114.554 0.001 0.000 2.927 173 T HA 0.628 4.977 4.350 -0.000 0.000 0.286 173 T C 1.254 175.964 174.700 0.016 0.000 1.040 173 T CA 0.543 62.647 62.100 0.007 0.000 1.010 173 T CB 1.669 70.528 68.868 -0.014 0.000 1.177 173 T HN 1.348 nan 8.240 nan 0.000 0.546 174 G N 1.168 109.974 108.800 0.010 0.000 3.325 174 G HA2 0.116 4.075 3.960 -0.000 0.000 0.242 174 G HA3 0.116 4.075 3.960 -0.000 0.000 0.242 174 G C 0.911 175.810 174.900 -0.002 0.000 1.120 174 G CA -0.303 44.800 45.100 0.005 0.000 1.778 174 G HN 0.797 nan 8.290 nan 0.000 0.610 175 K N 0.003 120.415 120.400 0.021 0.000 1.991 175 K HA -0.149 4.171 4.320 -0.000 0.000 0.212 175 K C 2.117 178.718 176.600 0.003 0.000 1.049 175 K CA 1.489 57.797 56.287 0.034 0.000 0.932 175 K CB -0.045 32.509 32.500 0.091 0.000 0.717 175 K HN 0.480 nan 8.250 nan 0.000 0.441 176 E N 1.151 121.386 120.200 0.058 0.000 2.086 176 E HA -0.244 4.106 4.350 -0.000 0.000 0.205 176 E C 2.032 178.542 176.600 -0.151 0.000 1.027 176 E CA 1.489 57.881 56.400 -0.014 0.000 0.830 176 E CB -0.101 29.657 29.700 0.095 0.000 0.751 176 E HN 0.191 nan 8.360 nan 0.000 0.456 177 L N 0.015 121.191 121.223 -0.079 0.000 1.971 177 L HA -0.244 4.096 4.340 -0.000 0.000 0.215 177 L C 2.560 179.356 176.870 -0.124 0.000 1.072 177 L CA 1.383 56.167 54.840 -0.093 0.000 0.758 177 L CB -0.812 41.212 42.059 -0.060 0.000 0.889 177 L HN 0.167 nan 8.230 nan 0.000 0.433 178 V N 0.290 120.140 119.914 -0.107 0.000 2.527 178 V HA -0.353 3.767 4.120 -0.000 0.000 0.255 178 V C 2.695 178.691 176.094 -0.165 0.000 1.081 178 V CA 1.876 64.112 62.300 -0.106 0.000 1.092 178 V CB -1.141 30.637 31.823 -0.075 0.000 0.673 178 V HN 0.531 nan 8.190 nan 0.000 0.470 179 A N -0.191 122.449 122.820 -0.300 0.000 1.897 179 A HA -0.158 4.161 4.320 -0.000 0.000 0.215 179 A C 2.321 179.725 177.584 -0.301 0.000 1.181 179 A CA 1.610 53.363 52.037 -0.474 0.000 0.620 179 A CB -0.456 17.767 19.000 -1.296 0.000 0.821 179 A HN 0.424 nan 8.150 nan 0.000 0.443 180 R N 0.056 120.401 120.500 -0.257 0.000 2.083 180 R HA -0.092 4.247 4.340 -0.000 0.000 0.237 180 R C 2.300 178.567 176.300 -0.055 0.000 1.137 180 R CA 1.800 57.814 56.100 -0.143 0.000 0.951 180 R CB -0.740 29.486 30.300 -0.124 0.000 0.851 180 R HN 0.465 nan 8.270 nan 0.000 0.434 181 A N 0.389 123.166 122.820 -0.070 0.000 1.883 181 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 181 A C 2.201 179.767 177.584 -0.030 0.000 1.186 181 A CA 1.499 53.511 52.037 -0.042 0.000 0.624 181 A CB -0.726 18.243 19.000 -0.052 0.000 0.822 181 A HN 0.314 nan 8.150 nan 0.000 0.444 182 L N -1.289 119.905 121.223 -0.049 0.000 1.971 182 L HA -0.285 4.054 4.340 -0.000 0.000 0.215 182 L C 2.795 179.656 176.870 -0.016 0.000 1.072 182 L CA 2.080 56.897 54.840 -0.040 0.000 0.758 182 L CB -0.894 41.132 42.059 -0.055 0.000 0.889 182 L HN 0.653 nan 8.230 nan 0.000 0.433 183 H N 0.288 119.305 119.070 -0.088 0.000 2.289 183 H HA -0.227 4.328 4.556 -0.000 0.000 0.296 183 H C 2.099 177.398 175.328 -0.048 0.000 1.091 183 H CA 2.052 58.061 56.048 -0.065 0.000 1.274 183 H CB 0.137 29.854 29.762 -0.074 0.000 1.364 183 H HN 0.355 nan 8.280 nan 0.000 0.490 184 A N 0.438 123.333 122.820 0.126 0.000 1.917 184 A HA -0.215 4.104 4.320 -0.000 0.000 0.219 184 A C 3.064 180.630 177.584 -0.030 0.000 1.182 184 A CA 1.726 53.802 52.037 0.065 0.000 0.633 184 A CB -1.414 17.618 19.000 0.054 0.000 0.819 184 A HN 0.626 nan 8.150 nan 0.000 0.448 185 C N -1.979 117.298 119.300 -0.038 0.000 2.440 185 C HA 0.061 4.520 4.460 -0.000 0.000 0.278 185 C C 3.241 178.199 174.990 -0.053 0.000 1.295 185 C CA 1.459 60.452 59.018 -0.042 0.000 1.738 185 C CB -0.709 27.011 27.740 -0.032 0.000 1.987 185 C HN 0.645 nan 8.230 nan 0.000 0.492 186 S N -1.296 114.361 115.700 -0.072 0.000 2.783 186 S HA 0.375 4.845 4.470 -0.000 0.000 0.205 186 S C 1.638 176.191 174.600 -0.078 0.000 0.910 186 S CA 0.739 58.900 58.200 -0.065 0.000 0.861 186 S CB -0.036 63.138 63.200 -0.043 0.000 0.830 186 S HN 0.558 nan 8.310 nan 0.000 0.630 187 A N 0.356 123.117 122.820 -0.099 0.000 2.312 187 A HA 0.411 4.731 4.320 -0.000 0.000 0.215 187 A C 0.930 178.452 177.584 -0.103 0.000 1.256 187 A CA -0.173 51.814 52.037 -0.084 0.000 0.966 187 A CB 0.169 19.137 19.000 -0.054 0.000 1.053 187 A HN 0.355 nan 8.150 nan 0.000 0.510 188 R N 0.515 120.911 120.500 -0.172 0.000 2.935 188 R HA 0.279 4.618 4.340 -0.000 0.000 0.354 188 R C 0.747 176.896 176.300 -0.252 0.000 1.206 188 R CA 0.325 56.330 56.100 -0.159 0.000 1.082 188 R CB 0.223 30.448 30.300 -0.124 0.000 1.431 188 R HN 0.298 nan 8.270 nan 0.000 0.582 189 S N 1.250 116.829 115.700 -0.201 0.000 2.402 189 S HA -0.218 4.251 4.470 -0.000 0.000 0.233 189 S C 1.058 175.679 174.600 0.036 0.000 1.030 189 S CA 2.041 60.162 58.200 -0.132 0.000 1.003 189 S CB -0.140 63.026 63.200 -0.057 0.000 0.813 189 S HN 0.581 nan 8.310 nan 0.000 0.477 190 D N 0.327 120.739 120.400 0.019 0.000 2.277 190 D HA 0.082 4.722 4.640 -0.000 0.000 0.209 190 D C 0.705 177.054 176.300 0.081 0.000 0.970 190 D CA 0.105 54.136 54.000 0.052 0.000 0.874 190 D CB -0.143 40.669 40.800 0.021 0.000 0.982 190 D HN 0.100 nan 8.370 nan 0.000 0.504 191 R N 1.640 122.190 120.500 0.082 0.000 2.774 191 R HA 0.298 4.638 4.340 -0.000 0.000 0.269 191 R C -1.939 174.461 176.300 0.167 0.000 1.068 191 R CA -1.263 54.896 56.100 0.099 0.000 1.180 191 R CB -0.520 29.826 30.300 0.076 0.000 1.077 191 R HN 0.132 nan 8.270 nan 0.000 0.513 192 P HA -0.043 nan 4.420 nan 0.000 0.272 192 P C -0.778 176.553 177.300 0.051 0.000 1.248 192 P CA -0.077 63.051 63.100 0.048 0.000 0.799 192 P CB 0.467 32.184 31.700 0.028 0.000 0.997 193 L N 0.838 122.010 121.223 -0.085 0.000 2.480 193 L HA 0.239 4.579 4.340 -0.000 0.000 0.253 193 L C -0.817 176.013 176.870 -0.065 0.000 1.324 193 L CA -0.887 53.864 54.840 -0.149 0.000 0.916 193 L CB 0.152 41.861 42.059 -0.583 0.000 1.160 193 L HN -0.061 nan 8.230 nan 0.000 0.503 194 V N 1.918 121.821 119.914 -0.018 0.000 2.673 194 V HA 0.336 4.456 4.120 -0.000 0.000 0.303 194 V C 0.747 176.847 176.094 0.010 0.000 1.046 194 V CA 0.505 62.794 62.300 -0.018 0.000 1.126 194 V CB 0.915 32.715 31.823 -0.038 0.000 0.934 194 V HN 0.802 nan 8.190 nan 0.000 0.487 195 T N 6.096 120.661 114.554 0.018 0.000 3.335 195 T HA 0.556 4.906 4.350 -0.000 0.000 0.321 195 T C -1.077 173.612 174.700 -0.018 0.000 0.960 195 T CA -0.599 61.542 62.100 0.068 0.000 1.034 195 T CB 0.564 69.569 68.868 0.229 0.000 1.040 195 T HN 0.726 nan 8.240 nan 0.000 0.454 196 L N 3.397 124.557 121.223 -0.106 0.000 2.342 196 L HA 0.805 5.144 4.340 -0.000 0.000 0.271 196 L C -0.326 176.444 176.870 -0.166 0.000 1.008 196 L CA -0.859 53.916 54.840 -0.109 0.000 0.818 196 L CB 1.812 43.808 42.059 -0.105 0.000 1.296 196 L HN 0.442 nan 8.230 nan 0.000 0.427 197 N N 2.258 120.891 118.700 -0.112 0.000 2.420 197 N HA 0.174 4.914 4.740 -0.000 0.000 0.249 197 N C 0.374 175.830 175.510 -0.089 0.000 1.033 197 N CA -0.416 52.565 53.050 -0.115 0.000 0.944 197 N CB 1.372 39.825 38.487 -0.056 0.000 1.113 197 N HN 0.931 nan 8.380 nan 0.000 0.502 198 C N 3.038 122.277 119.300 -0.100 0.000 2.466 198 C HA 0.026 4.486 4.460 -0.000 0.000 0.283 198 C C 2.340 177.311 174.990 -0.031 0.000 1.472 198 C CA 0.278 59.257 59.018 -0.065 0.000 1.765 198 C CB -1.909 25.795 27.740 -0.060 0.000 1.724 198 C HN 0.874 nan 8.230 nan 0.000 0.560 199 A N 1.124 123.931 122.820 -0.022 0.000 1.745 199 A HA -0.202 4.118 4.320 -0.000 0.000 0.339 199 A C 1.166 178.757 177.584 0.011 0.000 4.536 199 A CA 3.047 55.086 52.037 0.002 0.000 1.018 199 A CB -1.444 17.554 19.000 -0.003 0.000 0.591 199 A HN 1.851 nan 8.150 nan 0.000 0.481 200 A N -2.741 120.080 122.820 0.002 0.000 2.001 200 A HA 0.524 4.844 4.320 -0.000 0.000 0.259 200 A C -0.756 176.826 177.584 -0.003 0.000 1.410 200 A CA -0.116 51.923 52.037 0.005 0.000 1.208 200 A CB -0.396 18.612 19.000 0.013 0.000 1.163 200 A HN 0.989 nan 8.150 nan 0.000 0.651 201 L N 1.798 123.015 121.223 -0.010 0.000 2.325 201 L HA 0.467 4.807 4.340 -0.000 0.000 0.281 201 L C 0.367 177.229 176.870 -0.013 0.000 1.004 201 L CA -1.134 53.698 54.840 -0.014 0.000 0.823 201 L CB 1.584 43.631 42.059 -0.021 0.000 1.236 201 L HN 0.713 nan 8.230 nan 0.000 0.415 202 N N 0.809 119.502 118.700 -0.011 0.000 2.237 202 N HA -0.178 4.562 4.740 -0.000 0.000 0.245 202 N C 0.870 176.374 175.510 -0.011 0.000 1.239 202 N CA 0.209 53.254 53.050 -0.009 0.000 0.842 202 N CB 0.521 39.002 38.487 -0.011 0.000 1.089 202 N HN 0.825 nan 8.380 nan 0.000 0.454 203 E N 0.620 120.817 120.200 -0.005 0.000 2.200 203 E HA -0.439 3.910 4.350 -0.000 0.000 0.211 203 E C 1.350 177.949 176.600 -0.001 0.000 1.048 203 E CA 2.221 58.620 56.400 -0.001 0.000 0.851 203 E CB -0.147 29.555 29.700 0.003 0.000 0.747 203 E HN 0.796 nan 8.360 nan 0.000 0.462 204 S N 0.149 115.843 115.700 -0.009 0.000 2.329 204 S HA -0.128 4.342 4.470 -0.000 0.000 0.215 204 S C 2.188 176.771 174.600 -0.028 0.000 1.031 204 S CA 1.086 59.277 58.200 -0.015 0.000 0.985 204 S CB -0.799 62.385 63.200 -0.027 0.000 0.917 204 S HN 0.374 nan 8.310 nan 0.000 0.441 205 L N 0.784 121.985 121.223 -0.038 0.000 2.034 205 L HA -0.153 4.187 4.340 -0.000 0.000 0.217 205 L C 2.797 179.647 176.870 -0.034 0.000 1.077 205 L CA 1.659 56.473 54.840 -0.042 0.000 0.769 205 L CB -0.850 41.188 42.059 -0.034 0.000 0.890 205 L HN 0.355 nan 8.230 nan 0.000 0.435 206 L N 0.084 121.285 121.223 -0.037 0.000 2.083 206 L HA -0.234 4.106 4.340 -0.000 0.000 0.209 206 L C 2.528 179.342 176.870 -0.095 0.000 1.083 206 L CA 1.882 56.685 54.840 -0.062 0.000 0.752 206 L CB -0.546 41.479 42.059 -0.056 0.000 0.899 206 L HN 0.313 nan 8.230 nan 0.000 0.433 207 E N -0.996 119.182 120.200 -0.037 0.000 2.058 207 E HA -0.221 4.129 4.350 -0.000 0.000 0.194 207 E C 1.987 178.612 176.600 0.041 0.000 0.997 207 E CA 1.663 58.075 56.400 0.020 0.000 0.801 207 E CB -0.097 29.666 29.700 0.104 0.000 0.746 207 E HN 0.615 nan 8.360 nan 0.000 0.450 208 S N 0.527 116.265 115.700 0.064 0.000 2.336 208 S HA -0.202 4.268 4.470 -0.000 0.000 0.214 208 S C 1.834 176.506 174.600 0.119 0.000 1.032 208 S CA 1.267 59.568 58.200 0.169 0.000 1.001 208 S CB -0.539 62.754 63.200 0.155 0.000 0.953 208 S HN 0.324 nan 8.310 nan 0.000 0.430 209 E N 1.025 121.261 120.200 0.060 0.000 2.197 209 E HA -0.203 4.146 4.350 -0.000 0.000 0.205 209 E C 1.774 178.346 176.600 -0.047 0.000 1.029 209 E CA 1.210 57.620 56.400 0.016 0.000 0.828 209 E CB -0.341 29.347 29.700 -0.020 0.000 0.737 209 E HN 0.401 nan 8.360 nan 0.000 0.464 210 L N -1.424 119.693 121.223 -0.176 0.000 2.127 210 L HA 0.018 4.357 4.340 -0.000 0.000 0.203 210 L C 1.500 178.217 176.870 -0.255 0.000 1.080 210 L CA 0.894 55.528 54.840 -0.343 0.000 0.768 210 L CB -0.056 41.579 42.059 -0.707 0.000 0.924 210 L HN 0.219 nan 8.230 nan 0.000 0.444 211 F N -0.885 119.157 119.950 0.153 0.000 2.478 211 F HA 0.435 4.961 4.527 -0.000 0.000 0.260 211 F C 0.984 176.840 175.800 0.094 0.000 0.974 211 F CA 0.199 58.272 58.000 0.121 0.000 1.075 211 F CB 0.037 39.070 39.000 0.056 0.000 1.165 211 F HN -0.042 nan 8.300 nan 0.000 0.692 212 G N -0.639 108.336 108.800 0.291 0.000 2.376 212 G HA2 0.374 4.334 3.960 -0.000 0.000 0.302 212 G HA3 0.374 4.334 3.960 -0.000 0.000 0.302 212 G C -2.224 172.787 174.900 0.186 0.000 1.586 212 G CA -0.887 44.312 45.100 0.165 0.000 0.907 212 G HN 0.540 nan 8.290 nan 0.000 0.655 213 H N -1.600 117.511 119.070 0.068 0.000 2.821 213 H HA 0.926 5.481 4.556 -0.000 0.000 0.373 213 H C -0.552 174.799 175.328 0.038 0.000 1.165 213 H CA -0.199 55.879 56.048 0.051 0.000 1.154 213 H CB 1.738 31.526 29.762 0.042 0.000 1.765 213 H HN 1.185 nan 8.280 nan 0.000 0.549 214 E N -0.032 120.174 120.200 0.010 0.000 2.392 214 E HA 0.516 4.866 4.350 -0.000 0.000 0.269 214 E C 1.085 177.719 176.600 0.056 0.000 0.924 214 E CA -0.322 56.053 56.400 -0.043 0.000 0.784 214 E CB 0.688 30.370 29.700 -0.030 0.000 1.292 214 E HN 0.909 nan 8.360 nan 0.000 0.447 215 K N -0.066 120.357 120.400 0.038 0.000 2.285 215 K HA -0.273 4.046 4.320 -0.000 0.000 0.214 215 K C 2.404 179.044 176.600 0.067 0.000 1.015 215 K CA 4.019 60.339 56.287 0.056 0.000 0.930 215 K CB -2.099 30.419 32.500 0.030 0.000 0.887 215 K HN 1.974 nan 8.250 nan 0.000 0.486 216 G N -0.306 108.528 108.800 0.056 0.000 3.206 216 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.215 216 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.215 216 G C 1.912 176.844 174.900 0.054 0.000 1.165 216 G CA 2.588 47.719 45.100 0.051 0.000 0.754 216 G HN 1.501 nan 8.290 nan 0.000 0.999 217 A N -1.412 121.445 122.820 0.062 0.000 1.930 217 A HA 0.478 4.797 4.320 -0.000 0.000 0.217 217 A C 1.151 178.751 177.584 0.027 0.000 1.175 217 A CA 2.149 54.212 52.037 0.042 0.000 0.627 217 A CB -0.407 18.617 19.000 0.040 0.000 0.815 217 A HN 1.782 nan 8.150 nan 0.000 0.443 218 F N -1.197 118.768 119.950 0.026 0.000 2.653 218 F HA 0.655 5.182 4.527 -0.000 0.000 0.327 218 F C 0.517 176.296 175.800 -0.035 0.000 1.195 218 F CA -0.757 57.232 58.000 -0.018 0.000 0.993 218 F CB -0.377 38.592 39.000 -0.052 0.000 1.259 218 F HN 0.658 nan 8.300 nan 0.000 0.478 224 R N -1.075 119.417 120.500 -0.013 0.000 2.858 224 R HA 1.036 5.376 4.340 -0.000 0.000 0.252 224 R C -0.377 175.802 176.300 -0.203 0.000 1.063 224 R CA 0.665 56.713 56.100 -0.086 0.000 0.955 224 R CB -0.063 30.213 30.300 -0.040 0.000 1.259 224 R HN 2.630 nan 8.270 nan 0.000 0.477 225 R N 0.568 120.897 120.500 -0.285 0.000 2.858 225 R HA 0.561 4.900 4.340 -0.000 0.000 0.252 225 R C 0.005 176.191 176.300 -0.190 0.000 1.063 225 R CA 0.193 56.109 56.100 -0.307 0.000 0.955 225 R CB 0.458 30.373 30.300 -0.641 0.000 1.259 225 R HN 1.110 nan 8.270 nan 0.000 0.477 226 E N 0.193 120.343 120.200 -0.084 0.000 2.022 226 E HA 0.503 4.853 4.350 -0.000 0.000 0.193 226 E C 0.806 177.420 176.600 0.024 0.000 0.969 226 E CA 1.224 57.611 56.400 -0.022 0.000 0.834 226 E CB 0.381 30.084 29.700 0.004 0.000 0.798 226 E HN 1.468 nan 8.360 nan 0.000 0.467 227 G N -1.204 107.624 108.800 0.048 0.000 2.353 227 G HA2 0.007 3.967 3.960 -0.000 0.000 0.308 227 G HA3 0.007 3.967 3.960 -0.000 0.000 0.308 227 G C -0.396 174.558 174.900 0.091 0.000 1.418 227 G CA -0.508 44.652 45.100 0.100 0.000 0.966 227 G HN -0.005 nan 8.290 nan 0.000 0.638 228 R N -0.360 120.194 120.500 0.091 0.000 2.112 228 R HA 0.281 4.621 4.340 -0.000 0.000 0.216 228 R C 2.204 178.528 176.300 0.040 0.000 1.080 228 R CA 0.855 56.970 56.100 0.026 0.000 0.996 228 R CB -0.649 29.618 30.300 -0.055 0.000 0.902 228 R HN 0.497 nan 8.270 nan 0.000 0.449 229 F N 1.088 121.082 119.950 0.074 0.000 2.039 229 F HA -0.235 4.292 4.527 -0.000 0.000 0.294 229 F C 2.491 178.342 175.800 0.085 0.000 1.130 229 F CA 1.778 59.843 58.000 0.108 0.000 1.189 229 F CB -0.690 38.429 39.000 0.200 0.000 0.983 229 F HN -0.221 nan 8.300 nan 0.000 0.471 230 V N -1.020 119.078 119.914 0.307 0.000 2.278 230 V HA -0.382 3.738 4.120 -0.000 0.000 0.251 230 V C 1.990 178.154 176.094 0.116 0.000 1.062 230 V CA 2.317 64.724 62.300 0.178 0.000 1.038 230 V CB -1.417 30.487 31.823 0.134 0.000 0.646 230 V HN 0.475 nan 8.190 nan 0.000 0.447 231 E N 0.919 121.174 120.200 0.092 0.000 2.273 231 E HA -0.201 4.149 4.350 -0.000 0.000 0.198 231 E C 1.964 178.588 176.600 0.040 0.000 1.002 231 E CA 1.310 57.739 56.400 0.049 0.000 0.828 231 E CB -0.242 29.474 29.700 0.027 0.000 0.747 231 E HN 0.773 nan 8.360 nan 0.000 0.491 232 A N 0.348 123.196 122.820 0.047 0.000 2.197 232 A HA 0.019 4.338 4.320 -0.000 0.000 0.210 232 A C 0.435 178.058 177.584 0.065 0.000 1.180 232 A CA -0.063 51.995 52.037 0.036 0.000 0.846 232 A CB 0.189 19.180 19.000 -0.014 0.000 0.884 232 A HN 0.216 nan 8.150 nan 0.000 0.487 233 D N 0.405 120.859 120.400 0.089 0.000 3.587 233 D HA 0.078 4.717 4.640 -0.000 0.000 0.190 233 D C 1.475 177.815 176.300 0.067 0.000 1.039 233 D CA 1.933 55.986 54.000 0.089 0.000 0.710 233 D CB -0.154 40.692 40.800 0.076 0.000 1.146 233 D HN 0.780 nan 8.370 nan 0.000 0.552 234 G N 2.007 110.846 108.800 0.065 0.000 2.200 234 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.267 234 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.267 234 G C 0.742 175.670 174.900 0.046 0.000 0.993 234 G CA 0.979 46.108 45.100 0.048 0.000 0.701 234 G HN 0.864 nan 8.290 nan 0.000 0.524 235 G N -1.379 107.455 108.800 0.058 0.000 2.940 235 G HA2 0.839 4.799 3.960 -0.000 0.000 0.164 235 G HA3 0.839 4.799 3.960 -0.000 0.000 0.164 235 G C -0.007 174.935 174.900 0.069 0.000 1.326 235 G CA 0.664 45.806 45.100 0.069 0.000 1.020 235 G HN 1.403 nan 8.290 nan 0.000 0.586 236 T N -1.965 112.650 114.554 0.102 0.000 2.928 236 T HA 0.552 4.901 4.350 -0.000 0.000 0.296 236 T C -1.251 173.491 174.700 0.070 0.000 1.000 236 T CA -0.584 61.576 62.100 0.099 0.000 0.989 236 T CB 1.801 70.771 68.868 0.170 0.000 1.005 236 T HN 0.541 nan 8.240 nan 0.000 0.442 237 L N 3.257 124.484 121.223 0.008 0.000 2.322 237 L HA 0.863 5.203 4.340 -0.000 0.000 0.279 237 L C -1.494 175.418 176.870 0.071 0.000 1.036 237 L CA -1.346 53.456 54.840 -0.065 0.000 0.807 237 L CB 1.195 43.058 42.059 -0.327 0.000 1.226 237 L HN 0.802 nan 8.230 nan 0.000 0.433 238 F N 6.064 125.949 119.950 -0.107 0.000 2.610 238 F HA 0.591 5.118 4.527 -0.000 0.000 0.355 238 F C -1.718 174.043 175.800 -0.064 0.000 1.140 238 F CA -1.014 56.947 58.000 -0.064 0.000 1.037 238 F CB 0.872 39.847 39.000 -0.041 0.000 1.287 238 F HN 0.276 nan 8.300 nan 0.000 0.457 239 L N 5.387 126.297 121.223 -0.522 0.000 2.282 239 L HA 0.417 4.756 4.340 -0.000 0.000 0.288 239 L C -0.210 176.214 176.870 -0.744 0.000 1.033 239 L CA -0.285 54.240 54.840 -0.525 0.000 0.807 239 L CB 0.956 42.876 42.059 -0.231 0.000 1.209 239 L HN 0.451 nan 8.230 nan 0.000 0.423 240 D N 2.412 122.400 120.400 -0.686 0.000 2.181 240 D HA 0.236 4.876 4.640 -0.000 0.000 0.248 240 D C -0.241 175.948 176.300 -0.183 0.000 1.020 240 D CA -0.275 53.438 54.000 -0.479 0.000 0.891 240 D CB 1.019 41.605 40.800 -0.356 0.000 1.187 240 D HN 0.562 nan 8.370 nan 0.000 0.443 241 E N 1.678 121.834 120.200 -0.072 0.000 2.240 241 E HA -0.227 4.123 4.350 -0.000 0.000 0.194 241 E C 0.580 177.165 176.600 -0.026 0.000 1.385 241 E CA 0.044 56.443 56.400 -0.002 0.000 0.686 241 E CB -0.921 28.810 29.700 0.052 0.000 1.125 241 E HN 0.501 nan 8.360 nan 0.000 0.359 242 I N -0.478 120.078 120.570 -0.024 0.000 3.684 242 I HA 0.006 4.175 4.170 -0.000 0.000 0.304 242 I C 1.932 178.105 176.117 0.093 0.000 1.278 242 I CA 0.757 62.075 61.300 0.031 0.000 1.272 242 I CB 0.050 38.085 38.000 0.057 0.000 1.029 242 I HN 0.390 nan 8.210 nan 0.000 0.458 243 G N 0.059 108.865 108.800 0.009 0.000 2.598 243 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.215 243 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.215 243 G C 0.492 175.439 174.900 0.079 0.000 1.131 243 G CA 0.501 45.602 45.100 0.002 0.000 0.785 243 G HN 0.419 nan 8.290 nan 0.000 0.539 244 D N -0.156 120.282 120.400 0.063 0.000 2.501 244 D HA 0.153 4.793 4.640 -0.000 0.000 0.224 244 D C 1.157 177.494 176.300 0.062 0.000 1.202 244 D CA -0.542 53.495 54.000 0.062 0.000 0.829 244 D CB 0.426 41.249 40.800 0.038 0.000 1.023 244 D HN 0.506 nan 8.370 nan 0.000 0.499 245 I N -0.365 120.252 120.570 0.078 0.000 2.892 245 I HA 0.168 4.338 4.170 -0.000 0.000 0.287 245 I C 0.731 176.856 176.117 0.014 0.000 1.205 245 I CA -0.692 60.631 61.300 0.038 0.000 1.409 245 I CB 0.715 38.738 38.000 0.038 0.000 1.367 245 I HN -0.095 nan 8.210 nan 0.000 0.597 246 S N 4.497 120.198 115.700 0.001 0.000 2.600 246 S HA 0.308 4.778 4.470 -0.000 0.000 0.265 246 S C -1.323 173.254 174.600 -0.038 0.000 1.325 246 S CA -0.955 57.239 58.200 -0.010 0.000 1.002 246 S CB 0.749 63.947 63.200 -0.003 0.000 0.921 246 S HN 0.684 nan 8.310 nan 0.000 0.554 247 P HA -0.157 nan 4.420 nan 0.000 0.216 247 P C 1.669 178.937 177.300 -0.053 0.000 1.150 247 P CA 0.897 63.955 63.100 -0.071 0.000 0.843 247 P CB -0.016 31.655 31.700 -0.048 0.000 0.787 248 L N -1.739 119.470 121.223 -0.024 0.000 2.093 248 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 248 L C 2.477 179.354 176.870 0.012 0.000 1.085 248 L CA 1.359 56.194 54.840 -0.007 0.000 0.755 248 L CB -0.449 41.614 42.059 0.007 0.000 0.904 248 L HN -0.115 nan 8.230 nan 0.000 0.435 249 M N -0.614 118.996 119.600 0.016 0.000 2.132 249 M HA -0.207 4.273 4.480 -0.000 0.000 0.263 249 M C 2.181 178.500 176.300 0.032 0.000 1.065 249 M CA 1.665 56.998 55.300 0.054 0.000 1.122 249 M CB -1.141 31.480 32.600 0.034 0.000 1.365 249 M HN 0.358 nan 8.290 nan 0.000 0.411 250 Q N -0.492 119.273 119.800 -0.059 0.000 2.096 250 Q HA -0.139 4.201 4.340 -0.000 0.000 0.204 250 Q C 2.145 178.101 176.000 -0.072 0.000 0.982 250 Q CA 1.605 57.327 55.803 -0.135 0.000 0.850 250 Q CB -0.535 28.005 28.738 -0.330 0.000 0.901 250 Q HN 0.336 nan 8.270 nan 0.000 0.422 251 V N 1.240 121.120 119.914 -0.056 0.000 2.287 251 V HA -0.292 3.827 4.120 -0.000 0.000 0.248 251 V C 2.276 178.349 176.094 -0.035 0.000 1.053 251 V CA 1.973 64.246 62.300 -0.045 0.000 1.027 251 V CB -0.644 31.154 31.823 -0.041 0.000 0.646 251 V HN 0.313 nan 8.190 nan 0.000 0.447 252 R N -0.515 119.982 120.500 -0.004 0.000 2.082 252 R HA -0.155 4.185 4.340 -0.000 0.000 0.228 252 R C 2.310 178.606 176.300 -0.006 0.000 1.140 252 R CA 1.733 57.804 56.100 -0.048 0.000 0.920 252 R CB -1.043 29.301 30.300 0.073 0.000 0.828 252 R HN 0.353 nan 8.270 nan 0.000 0.430 253 L N 1.679 123.032 121.223 0.218 0.000 2.113 253 L HA -0.265 4.075 4.340 -0.000 0.000 0.221 253 L C 2.101 179.020 176.870 0.081 0.000 1.084 253 L CA 1.716 56.705 54.840 0.249 0.000 0.787 253 L CB -0.906 41.291 42.059 0.231 0.000 0.893 253 L HN 0.249 nan 8.230 nan 0.000 0.440 254 L N -0.102 121.139 121.223 0.030 0.000 1.943 254 L HA -0.231 4.109 4.340 -0.000 0.000 0.215 254 L C 2.711 179.557 176.870 -0.040 0.000 1.074 254 L CA 2.123 56.967 54.840 0.008 0.000 0.759 254 L CB -0.969 41.085 42.059 -0.007 0.000 0.888 254 L HN 0.342 nan 8.230 nan 0.000 0.433 255 R N -0.230 120.218 120.500 -0.087 0.000 2.159 255 R HA -0.286 4.054 4.340 -0.000 0.000 0.249 255 R C 2.176 178.367 176.300 -0.182 0.000 1.136 255 R CA 1.859 57.880 56.100 -0.133 0.000 0.951 255 R CB -1.241 28.949 30.300 -0.183 0.000 0.876 255 R HN 0.616 nan 8.270 nan 0.000 0.440 256 A N 1.510 124.157 122.820 -0.289 0.000 1.903 256 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 256 A C 2.243 179.709 177.584 -0.197 0.000 1.191 256 A CA 1.804 53.596 52.037 -0.408 0.000 0.638 256 A CB -0.645 17.895 19.000 -0.767 0.000 0.823 256 A HN 0.253 nan 8.150 nan 0.000 0.451 257 I N -1.438 119.098 120.570 -0.057 0.000 2.202 257 I HA -0.235 3.935 4.170 -0.000 0.000 0.242 257 I C 2.767 178.895 176.117 0.018 0.000 1.091 257 I CA 1.776 63.105 61.300 0.047 0.000 1.368 257 I CB -0.858 37.203 38.000 0.101 0.000 1.058 257 I HN 0.406 nan 8.210 nan 0.000 0.410 258 Q N 1.752 121.550 119.800 -0.004 0.000 1.927 258 Q HA -0.181 4.158 4.340 -0.000 0.000 0.210 258 Q C 0.654 176.644 176.000 -0.016 0.000 1.001 258 Q CA 1.594 57.394 55.803 -0.005 0.000 0.862 258 Q CB -0.101 28.628 28.738 -0.015 0.000 0.934 258 Q HN 0.639 nan 8.270 nan 0.000 0.420 259 E N -0.444 119.731 120.200 -0.041 0.000 2.145 259 E HA 0.247 4.597 4.350 -0.000 0.000 0.270 259 E C -0.157 176.405 176.600 -0.064 0.000 0.906 259 E CA -0.629 55.745 56.400 -0.043 0.000 0.761 259 E CB 1.054 30.726 29.700 -0.047 0.000 1.116 259 E HN 0.094 nan 8.360 nan 0.000 0.408 260 R N 2.069 122.544 120.500 -0.041 0.000 2.417 260 R HA -0.081 4.259 4.340 -0.000 0.000 0.220 260 R C -0.199 176.056 176.300 -0.075 0.000 1.128 260 R CA 0.709 56.784 56.100 -0.040 0.000 1.048 260 R CB -0.634 29.665 30.300 -0.002 0.000 0.835 260 R HN 0.678 nan 8.270 nan 0.000 0.483 261 E N 0.008 120.147 120.200 -0.102 0.000 2.369 261 E HA 0.271 4.621 4.350 -0.000 0.000 0.255 261 E C -0.535 175.946 176.600 -0.200 0.000 1.172 261 E CA -0.387 55.944 56.400 -0.116 0.000 0.932 261 E CB 1.183 30.823 29.700 -0.100 0.000 1.040 261 E HN -0.242 nan 8.360 nan 0.000 0.454 262 V N 1.795 121.603 119.914 -0.176 0.000 2.509 262 V HA 0.122 4.242 4.120 -0.000 0.000 0.289 262 V C -0.756 175.233 176.094 -0.175 0.000 1.026 262 V CA -0.631 61.522 62.300 -0.245 0.000 0.872 262 V CB 1.278 33.034 31.823 -0.113 0.000 1.017 262 V HN 0.561 nan 8.190 nan 0.000 0.436 263 Q N 2.713 122.372 119.800 -0.235 0.000 2.230 263 Q HA 0.729 5.069 4.340 -0.000 0.000 0.248 263 Q C 0.426 176.377 176.000 -0.082 0.000 0.915 263 Q CA -0.447 55.277 55.803 -0.133 0.000 0.900 263 Q CB 1.657 30.320 28.738 -0.127 0.000 1.229 263 Q HN 0.838 nan 8.270 nan 0.000 0.439 264 R N 0.479 120.976 120.500 -0.006 0.000 2.546 264 R HA 0.548 4.888 4.340 -0.000 0.000 0.266 264 R C 0.483 176.821 176.300 0.064 0.000 1.086 264 R CA 0.193 56.331 56.100 0.064 0.000 1.160 264 R CB -0.665 29.673 30.300 0.064 0.000 1.138 264 R HN 0.723 nan 8.270 nan 0.000 0.567 265 V N 0.875 120.857 119.914 0.113 0.000 1.979 265 V HA 0.393 4.512 4.120 -0.000 0.000 0.232 265 V C 1.368 177.495 176.094 0.055 0.000 1.697 265 V CA 1.879 64.233 62.300 0.090 0.000 1.642 265 V CB -1.446 30.440 31.823 0.105 0.000 1.572 265 V HN 1.698 nan 8.190 nan 0.000 0.492 266 G N 1.136 109.954 108.800 0.030 0.000 3.432 266 G HA2 -0.057 3.902 3.960 -0.000 0.000 0.188 266 G HA3 -0.057 3.902 3.960 -0.000 0.000 0.188 266 G C 0.518 175.421 174.900 0.006 0.000 2.301 266 G CA 0.189 45.300 45.100 0.017 0.000 1.337 266 G HN 1.122 nan 8.290 nan 0.000 0.406 267 S N 1.336 117.042 115.700 0.011 0.000 2.617 267 S HA 0.447 4.917 4.470 -0.000 0.000 0.259 267 S C 0.100 174.695 174.600 -0.008 0.000 1.301 267 S CA -0.253 57.949 58.200 0.003 0.000 0.984 267 S CB 0.633 63.839 63.200 0.009 0.000 0.954 267 S HN 0.397 nan 8.310 nan 0.000 0.572 268 N N 1.823 120.517 118.700 -0.011 0.000 3.298 268 N HA 0.129 4.869 4.740 -0.000 0.000 0.292 268 N C -0.796 174.704 175.510 -0.017 0.000 1.271 268 N CA 0.046 53.084 53.050 -0.019 0.000 1.184 268 N CB 0.116 38.592 38.487 -0.018 0.000 1.452 268 N HN 0.513 nan 8.380 nan 0.000 0.534 269 Q N 0.118 119.908 119.800 -0.017 0.000 3.091 269 Q HA 0.162 4.502 4.340 -0.000 0.000 0.301 269 Q C -0.302 175.684 176.000 -0.024 0.000 1.337 269 Q CA -0.060 55.735 55.803 -0.013 0.000 1.083 269 Q CB 0.183 28.919 28.738 -0.003 0.000 1.477 269 Q HN 0.079 nan 8.270 nan 0.000 0.537 270 T N 2.453 116.989 114.554 -0.030 0.000 2.743 270 T HA 0.271 4.621 4.350 -0.000 0.000 0.290 270 T C 0.046 174.730 174.700 -0.027 0.000 0.908 270 T CA 0.159 62.234 62.100 -0.041 0.000 1.092 270 T CB -0.025 68.817 68.868 -0.044 0.000 0.882 270 T HN 0.330 nan 8.240 nan 0.000 0.531 271 I N 2.990 123.543 120.570 -0.027 0.000 2.390 271 I HA 0.228 4.397 4.170 -0.000 0.000 0.283 271 I C 0.698 176.813 176.117 -0.005 0.000 1.016 271 I CA -0.582 60.714 61.300 -0.006 0.000 1.151 271 I CB 1.511 39.518 38.000 0.011 0.000 1.293 271 I HN 0.441 nan 8.210 nan 0.000 0.458 272 S N 5.078 120.778 115.700 -0.001 0.000 2.560 272 S HA 0.390 4.860 4.470 -0.000 0.000 0.284 272 S C -0.305 174.313 174.600 0.030 0.000 1.327 272 S CA -0.359 57.844 58.200 0.005 0.000 1.055 272 S CB 0.572 63.775 63.200 0.005 0.000 0.868 272 S HN 0.507 nan 8.310 nan 0.000 0.506 273 V N 2.804 122.745 119.914 0.045 0.000 2.752 273 V HA 0.528 4.648 4.120 -0.000 0.000 0.302 273 V C -1.192 174.966 176.094 0.105 0.000 1.133 273 V CA -0.951 61.403 62.300 0.089 0.000 0.919 273 V CB 2.092 34.004 31.823 0.147 0.000 1.026 273 V HN 0.800 nan 8.190 nan 0.000 0.429 274 D N 4.106 124.564 120.400 0.097 0.000 2.412 274 D HA 0.542 5.182 4.640 -0.000 0.000 0.224 274 D C -1.006 175.362 176.300 0.112 0.000 1.093 274 D CA 0.017 54.071 54.000 0.091 0.000 0.850 274 D CB 1.788 42.623 40.800 0.059 0.000 1.046 274 D HN 0.554 nan 8.370 nan 0.000 0.507 275 V N 4.616 124.620 119.914 0.149 0.000 2.656 275 V HA 0.375 4.495 4.120 -0.000 0.000 0.307 275 V C 0.310 176.472 176.094 0.113 0.000 1.051 275 V CA -0.991 61.394 62.300 0.141 0.000 0.893 275 V CB 2.189 34.143 31.823 0.218 0.000 0.999 275 V HN 0.457 nan 8.190 nan 0.000 0.426 276 R N 3.506 124.050 120.500 0.073 0.000 2.265 276 R HA 0.507 4.847 4.340 -0.000 0.000 0.314 276 R C -1.319 175.021 176.300 0.068 0.000 1.053 276 R CA -0.583 55.554 56.100 0.062 0.000 0.931 276 R CB 0.940 31.261 30.300 0.035 0.000 1.024 276 R HN 0.550 nan 8.270 nan 0.000 0.457 277 L N 6.371 127.644 121.223 0.084 0.000 2.282 277 L HA 0.471 4.811 4.340 -0.000 0.000 0.288 277 L C -0.793 176.138 176.870 0.101 0.000 1.033 277 L CA -0.214 54.681 54.840 0.091 0.000 0.807 277 L CB 1.346 43.482 42.059 0.129 0.000 1.209 277 L HN 0.634 nan 8.230 nan 0.000 0.423 278 I N 4.860 125.515 120.570 0.143 0.000 2.468 278 I HA 0.656 4.825 4.170 -0.000 0.000 0.285 278 I C -0.582 175.728 176.117 0.321 0.000 1.039 278 I CA -0.366 61.054 61.300 0.200 0.000 1.074 278 I CB 1.689 39.798 38.000 0.182 0.000 1.228 278 I HN 0.761 nan 8.210 nan 0.000 0.436 279 A N 5.111 128.063 122.820 0.220 0.000 2.479 279 A HA 1.012 5.332 4.320 -0.000 0.000 0.296 279 A C -1.278 176.409 177.584 0.171 0.000 1.121 279 A CA -0.557 51.570 52.037 0.150 0.000 0.743 279 A CB 2.042 21.077 19.000 0.057 0.000 1.323 279 A HN 0.762 nan 8.150 nan 0.000 0.415 280 A N -0.122 122.764 122.820 0.110 0.000 2.549 280 A HA 0.868 5.188 4.320 -0.000 0.000 0.297 280 A C -0.456 177.158 177.584 0.049 0.000 1.061 280 A CA 0.135 52.240 52.037 0.114 0.000 0.690 280 A CB 1.524 20.640 19.000 0.193 0.000 1.287 280 A HN 1.985 nan 8.150 nan 0.000 0.402 281 T N -0.219 114.362 114.554 0.045 0.000 2.906 281 T HA 0.523 4.873 4.350 -0.000 0.000 0.295 281 T C -0.220 174.494 174.700 0.024 0.000 1.061 281 T CA -0.406 61.686 62.100 -0.014 0.000 1.000 281 T CB 0.984 69.809 68.868 -0.072 0.000 1.103 281 T HN 1.045 nan 8.240 nan 0.000 0.486 282 H N 3.411 122.479 119.070 -0.003 0.000 2.638 282 H HA 0.525 5.081 4.556 -0.000 0.000 0.293 282 H C -0.126 175.218 175.328 0.028 0.000 1.316 282 H CA -0.765 55.247 56.048 -0.060 0.000 1.099 282 H CB -0.120 29.606 29.762 -0.059 0.000 1.515 282 H HN 0.333 nan 8.280 nan 0.000 0.505 283 R N 0.579 121.064 120.500 -0.024 0.000 2.680 283 R HA 0.083 4.423 4.340 -0.000 0.000 0.269 283 R C -1.333 174.983 176.300 0.028 0.000 1.026 283 R CA -0.845 55.225 56.100 -0.050 0.000 0.889 283 R CB 1.791 31.948 30.300 -0.239 0.000 1.241 283 R HN 0.253 nan 8.270 nan 0.000 0.463 284 D N 3.289 123.680 120.400 -0.016 0.000 2.483 284 D HA 0.028 4.668 4.640 -0.000 0.000 0.220 284 D C 0.973 177.184 176.300 -0.150 0.000 1.173 284 D CA -0.237 53.711 54.000 -0.087 0.000 0.964 284 D CB 0.743 41.499 40.800 -0.073 0.000 1.046 284 D HN 0.283 nan 8.370 nan 0.000 0.517 285 L N 4.194 125.314 121.223 -0.171 0.000 1.997 285 L HA -0.246 4.094 4.340 -0.000 0.000 0.216 285 L C 2.536 179.175 176.870 -0.386 0.000 1.074 285 L CA 2.287 56.949 54.840 -0.296 0.000 0.763 285 L CB -1.184 40.780 42.059 -0.158 0.000 0.890 285 L HN 0.532 nan 8.230 nan 0.000 0.434 286 A N -0.924 121.675 122.820 -0.369 0.000 1.909 286 A HA -0.374 3.946 4.320 -0.000 0.000 0.221 286 A C 2.299 179.700 177.584 -0.304 0.000 1.223 286 A CA 2.391 54.144 52.037 -0.473 0.000 0.658 286 A CB -0.873 17.963 19.000 -0.275 0.000 0.831 286 A HN 0.506 nan 8.150 nan 0.000 0.462 287 E N -0.494 119.591 120.200 -0.192 0.000 2.051 287 E HA -0.200 4.150 4.350 -0.000 0.000 0.192 287 E C 1.912 178.443 176.600 -0.115 0.000 0.991 287 E CA 1.819 58.144 56.400 -0.126 0.000 0.799 287 E CB -0.303 29.348 29.700 -0.082 0.000 0.748 287 E HN 0.606 nan 8.360 nan 0.000 0.449 288 E N -0.487 119.638 120.200 -0.126 0.000 2.049 288 E HA -0.169 4.181 4.350 -0.000 0.000 0.198 288 E C 2.051 178.635 176.600 -0.026 0.000 1.007 288 E CA 1.655 58.020 56.400 -0.057 0.000 0.809 288 E CB -0.332 29.330 29.700 -0.063 0.000 0.749 288 E HN 0.187 nan 8.360 nan 0.000 0.450 289 V N 0.689 120.537 119.914 -0.110 0.000 2.255 289 V HA -0.326 3.793 4.120 -0.000 0.000 0.247 289 V C 2.290 178.331 176.094 -0.088 0.000 1.051 289 V CA 2.132 64.387 62.300 -0.075 0.000 1.018 289 V CB -0.972 30.701 31.823 -0.250 0.000 0.641 289 V HN 0.372 nan 8.190 nan 0.000 0.445 290 S N 1.383 117.004 115.700 -0.131 0.000 2.400 290 S HA -0.175 4.295 4.470 -0.000 0.000 0.232 290 S C 2.010 176.580 174.600 -0.051 0.000 1.025 290 S CA 1.299 59.445 58.200 -0.090 0.000 0.993 290 S CB -0.672 62.473 63.200 -0.092 0.000 0.808 290 S HN 0.650 nan 8.310 nan 0.000 0.478 291 A N 1.044 123.840 122.820 -0.041 0.000 2.209 291 A HA 0.460 4.780 4.320 -0.000 0.000 0.212 291 A C 1.928 179.507 177.584 -0.008 0.000 1.158 291 A CA 0.867 52.892 52.037 -0.020 0.000 0.742 291 A CB -1.236 17.756 19.000 -0.012 0.000 0.790 291 A HN 1.435 nan 8.150 nan 0.000 0.472 292 G N -1.189 107.607 108.800 -0.006 0.000 2.159 292 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.256 292 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.256 292 G C 0.991 175.899 174.900 0.014 0.000 0.977 292 G CA 0.656 45.756 45.100 0.000 0.000 0.652 292 G HN 0.556 nan 8.290 nan 0.000 0.531 293 R N -1.658 118.865 120.500 0.037 0.000 2.206 293 R HA 0.425 4.765 4.340 -0.000 0.000 0.198 293 R C 0.891 177.249 176.300 0.096 0.000 0.986 293 R CA 0.296 56.428 56.100 0.054 0.000 1.029 293 R CB 0.368 30.705 30.300 0.062 0.000 0.966 293 R HN 0.367 nan 8.270 nan 0.000 0.487 294 F N 1.146 121.072 119.950 -0.041 0.000 2.631 294 F HA 0.429 4.956 4.527 -0.000 0.000 0.350 294 F C -0.548 175.228 175.800 -0.040 0.000 1.080 294 F CA -1.211 56.771 58.000 -0.030 0.000 1.026 294 F CB 1.189 40.167 39.000 -0.036 0.000 1.347 294 F HN -0.267 nan 8.300 nan 0.000 0.501 295 R N 1.746 122.206 120.500 -0.066 0.000 2.744 295 R HA 0.402 4.741 4.340 -0.000 0.000 0.279 295 R C -0.020 176.352 176.300 0.120 0.000 0.977 295 R CA -0.771 55.332 56.100 0.005 0.000 0.906 295 R CB 1.861 32.099 30.300 -0.104 0.000 1.197 295 R HN 0.771 nan 8.270 nan 0.000 0.463 296 Q N 1.100 120.929 119.800 0.048 0.000 1.935 296 Q HA -0.298 4.042 4.340 -0.000 0.000 0.212 296 Q C 0.854 176.949 176.000 0.158 0.000 1.008 296 Q CA 2.958 58.773 55.803 0.020 0.000 0.868 296 Q CB -0.276 28.483 28.738 0.035 0.000 0.946 296 Q HN 0.880 nan 8.270 nan 0.000 0.418 297 D N 0.268 120.767 120.400 0.165 0.000 2.191 297 D HA -0.263 4.377 4.640 -0.000 0.000 0.190 297 D C 1.677 178.090 176.300 0.189 0.000 1.007 297 D CA 1.417 55.528 54.000 0.185 0.000 0.865 297 D CB -0.660 40.203 40.800 0.104 0.000 0.929 297 D HN 0.192 nan 8.370 nan 0.000 0.447 298 L N -0.773 120.543 121.223 0.156 0.000 2.005 298 L HA -0.069 4.271 4.340 -0.000 0.000 0.207 298 L C 2.282 179.345 176.870 0.321 0.000 1.072 298 L CA 1.498 56.453 54.840 0.193 0.000 0.744 298 L CB -1.503 40.612 42.059 0.093 0.000 0.895 298 L HN 0.206 nan 8.230 nan 0.000 0.433 299 Y N -0.436 120.051 120.300 0.311 0.000 2.069 299 Y HA -0.365 4.185 4.550 -0.000 0.000 0.278 299 Y C 2.510 178.476 175.900 0.109 0.000 1.175 299 Y CA 2.276 60.491 58.100 0.192 0.000 1.134 299 Y CB -0.934 37.535 38.460 0.015 0.000 0.965 299 Y HN 0.302 nan 8.280 nan 0.000 0.498 300 Y N -0.287 120.125 120.300 0.186 0.000 2.483 300 Y HA -0.206 4.344 4.550 -0.000 0.000 0.291 300 Y C 2.369 178.255 175.900 -0.023 0.000 1.143 300 Y CA 0.601 58.724 58.100 0.037 0.000 1.289 300 Y CB 0.039 38.573 38.460 0.124 0.000 0.983 300 Y HN 0.103 nan 8.280 nan 0.000 0.556 301 R N -0.699 119.903 120.500 0.170 0.000 2.189 301 R HA 0.054 4.394 4.340 -0.000 0.000 0.203 301 R C 1.969 178.305 176.300 0.060 0.000 1.012 301 R CA 0.429 56.594 56.100 0.108 0.000 1.015 301 R CB -0.122 30.247 30.300 0.116 0.000 0.938 301 R HN 0.395 nan 8.270 nan 0.000 0.472 302 L N 0.529 121.773 121.223 0.034 0.000 2.127 302 L HA -0.018 4.322 4.340 -0.000 0.000 0.203 302 L C 1.074 177.892 176.870 -0.087 0.000 1.080 302 L CA 0.686 55.531 54.840 0.008 0.000 0.768 302 L CB -0.184 41.906 42.059 0.050 0.000 0.924 302 L HN 0.038 nan 8.230 nan 0.000 0.444 303 N N -0.173 118.374 118.700 -0.254 0.000 2.843 303 N HA 0.014 4.754 4.740 -0.000 0.000 0.284 303 N C 0.903 176.331 175.510 -0.137 0.000 1.274 303 N CA 0.039 52.918 53.050 -0.285 0.000 1.045 303 N CB 0.203 38.306 38.487 -0.639 0.000 1.370 303 N HN -0.053 nan 8.380 nan 0.000 0.525 304 V N -0.925 118.952 119.914 -0.061 0.000 2.255 304 V HA -0.009 4.111 4.120 -0.000 0.000 0.243 304 V C 0.657 176.740 176.094 -0.019 0.000 1.038 304 V CA 0.969 63.256 62.300 -0.023 0.000 1.008 304 V CB 0.052 31.873 31.823 -0.003 0.000 0.645 304 V HN 0.171 nan 8.190 nan 0.000 0.449 305 V N 0.076 119.980 119.914 -0.017 0.000 2.483 305 V HA 0.802 4.922 4.120 -0.000 0.000 0.297 305 V C -0.383 175.703 176.094 -0.013 0.000 1.027 305 V CA -0.283 62.011 62.300 -0.011 0.000 0.855 305 V CB 1.306 33.126 31.823 -0.005 0.000 0.995 305 V HN 0.356 nan 8.190 nan 0.000 0.424 306 A N 6.490 129.302 122.820 -0.013 0.000 2.355 306 A HA 0.911 5.230 4.320 -0.000 0.000 0.317 306 A C -0.906 176.676 177.584 -0.003 0.000 1.094 306 A CA -0.525 51.507 52.037 -0.008 0.000 0.764 306 A CB 1.014 20.004 19.000 -0.016 0.000 1.230 306 A HN 0.746 nan 8.150 nan 0.000 0.448 307 I N 1.611 122.184 120.570 0.004 0.000 2.404 307 I HA 0.322 4.492 4.170 -0.000 0.000 0.293 307 I C 0.098 176.231 176.117 0.027 0.000 0.992 307 I CA -0.384 60.909 61.300 -0.012 0.000 1.149 307 I CB 1.804 39.787 38.000 -0.028 0.000 1.315 307 I HN 0.658 nan 8.210 nan 0.000 0.446 308 E N 7.467 127.678 120.200 0.019 0.000 2.109 308 E HA 0.249 4.599 4.350 -0.000 0.000 0.278 308 E C -1.041 175.572 176.600 0.022 0.000 0.954 308 E CA -0.779 55.666 56.400 0.075 0.000 0.779 308 E CB 1.141 30.897 29.700 0.093 0.000 1.093 308 E HN 0.400 nan 8.360 nan 0.000 0.401 309 M N 6.268 125.872 119.600 0.008 0.000 2.188 309 M HA 0.268 4.748 4.480 -0.000 0.000 0.354 309 M C -2.184 174.101 176.300 -0.024 0.000 1.342 309 M CA -2.443 52.844 55.300 -0.022 0.000 1.117 309 M CB 0.688 33.269 32.600 -0.032 0.000 1.670 309 M HN 0.213 nan 8.290 nan 0.000 0.466 310 P HA 0.205 nan 4.420 nan 0.000 0.279 310 P C -0.527 176.755 177.300 -0.029 0.000 1.239 310 P CA -0.266 62.824 63.100 -0.016 0.000 0.789 310 P CB 0.728 32.426 31.700 -0.003 0.000 0.933 311 S N 1.633 117.306 115.700 -0.046 0.000 2.634 311 S HA 0.174 4.643 4.470 -0.000 0.000 0.261 311 S C 1.703 176.284 174.600 -0.032 0.000 1.271 311 S CA -0.644 57.523 58.200 -0.053 0.000 0.985 311 S CB 0.206 63.347 63.200 -0.098 0.000 0.968 311 S HN 0.429 nan 8.310 nan 0.000 0.568 312 L N 1.451 122.671 121.223 -0.005 0.000 2.005 312 L HA -0.133 4.207 4.340 -0.000 0.000 0.207 312 L C 2.843 179.745 176.870 0.054 0.000 1.072 312 L CA 1.492 56.355 54.840 0.039 0.000 0.744 312 L CB -0.429 41.673 42.059 0.071 0.000 0.895 312 L HN 0.724 nan 8.230 nan 0.000 0.433 313 R N 0.005 120.533 120.500 0.047 0.000 2.185 313 R HA -0.259 4.081 4.340 -0.000 0.000 0.247 313 R C 1.584 177.864 176.300 -0.033 0.000 1.159 313 R CA 1.782 57.892 56.100 0.017 0.000 0.988 313 R CB -0.533 29.373 30.300 -0.658 0.000 0.871 313 R HN 0.492 nan 8.270 nan 0.000 0.458 314 Q N 0.774 120.537 119.800 -0.061 0.000 2.365 314 Q HA 0.061 4.401 4.340 -0.000 0.000 0.203 314 Q C 0.138 176.139 176.000 0.003 0.000 0.929 314 Q CA 0.259 56.040 55.803 -0.037 0.000 0.948 314 Q CB 0.487 29.198 28.738 -0.045 0.000 1.043 314 Q HN 0.495 nan 8.270 nan 0.000 0.505 315 R N -1.025 119.488 120.500 0.020 0.000 2.583 315 R HA 0.284 4.624 4.340 -0.000 0.000 0.282 315 R C 0.244 176.564 176.300 0.032 0.000 1.288 315 R CA -0.472 55.643 56.100 0.025 0.000 1.415 315 R CB 0.248 30.559 30.300 0.018 0.000 1.331 315 R HN -0.097 nan 8.270 nan 0.000 0.719 316 R N 1.375 121.901 120.500 0.043 0.000 2.096 316 R HA -0.179 4.161 4.340 -0.000 0.000 0.240 316 R C 0.700 177.005 176.300 0.008 0.000 1.139 316 R CA 1.931 58.050 56.100 0.032 0.000 0.952 316 R CB -0.260 30.060 30.300 0.034 0.000 0.854 316 R HN 0.376 nan 8.270 nan 0.000 0.436 317 E N 0.818 121.026 120.200 0.014 0.000 2.253 317 E HA -0.196 4.154 4.350 -0.000 0.000 0.202 317 E C 1.454 178.059 176.600 0.009 0.000 1.014 317 E CA 1.701 58.107 56.400 0.010 0.000 0.823 317 E CB -0.172 29.538 29.700 0.016 0.000 0.736 317 E HN 0.434 nan 8.360 nan 0.000 0.478 318 D N -0.318 120.089 120.400 0.012 0.000 2.201 318 D HA 0.001 4.641 4.640 -0.000 0.000 0.209 318 D C 2.063 178.374 176.300 0.018 0.000 0.961 318 D CA 0.292 54.300 54.000 0.013 0.000 0.861 318 D CB -0.142 40.664 40.800 0.010 0.000 0.997 318 D HN 0.168 nan 8.370 nan 0.000 0.486 319 I N 2.275 122.856 120.570 0.018 0.000 2.504 319 I HA -0.336 3.833 4.170 -0.000 0.000 0.230 319 I C -0.473 175.652 176.117 0.013 0.000 0.933 319 I CA 2.061 63.371 61.300 0.016 0.000 1.236 319 I CB -2.240 35.749 38.000 -0.019 0.000 0.947 319 I HN 0.094 nan 8.210 nan 0.000 0.390 320 P HA -0.197 nan 4.420 nan 0.000 0.214 320 P C 1.918 179.259 177.300 0.069 0.000 1.163 320 P CA 1.648 64.752 63.100 0.006 0.000 0.883 320 P CB -0.253 31.452 31.700 0.009 0.000 0.788 321 L N -1.197 120.059 121.223 0.055 0.000 2.141 321 L HA -0.056 4.284 4.340 -0.000 0.000 0.209 321 L C 2.345 179.259 176.870 0.074 0.000 1.094 321 L CA 1.474 56.352 54.840 0.064 0.000 0.763 321 L CB -1.847 40.233 42.059 0.036 0.000 0.908 321 L HN -0.166 nan 8.230 nan 0.000 0.437 322 L N -0.376 120.885 121.223 0.065 0.000 2.044 322 L HA 0.032 4.372 4.340 -0.000 0.000 0.205 322 L C 2.579 179.565 176.870 0.192 0.000 1.075 322 L CA 1.858 56.739 54.840 0.069 0.000 0.747 322 L CB -1.048 41.062 42.059 0.084 0.000 0.903 322 L HN 0.279 nan 8.230 nan 0.000 0.435 323 A N -0.890 122.055 122.820 0.208 0.000 1.865 323 A HA -0.282 4.038 4.320 -0.000 0.000 0.217 323 A C 2.132 179.995 177.584 0.465 0.000 1.191 323 A CA 2.038 54.258 52.037 0.305 0.000 0.623 323 A CB -0.953 18.050 19.000 0.005 0.000 0.826 323 A HN 0.484 nan 8.150 nan 0.000 0.444 324 D N -1.303 119.333 120.400 0.394 0.000 2.108 324 D HA -0.234 4.406 4.640 -0.000 0.000 0.190 324 D C 1.805 178.242 176.300 0.229 0.000 0.995 324 D CA 1.595 55.797 54.000 0.337 0.000 0.834 324 D CB -0.601 40.325 40.800 0.210 0.000 0.967 324 D HN 0.592 nan 8.370 nan 0.000 0.446 325 H N -0.297 118.794 119.070 0.035 0.000 2.273 325 H HA -0.251 4.305 4.556 -0.000 0.000 0.284 325 H C 2.398 177.667 175.328 -0.099 0.000 1.113 325 H CA 2.360 58.337 56.048 -0.120 0.000 1.169 325 H CB -0.863 28.718 29.762 -0.302 0.000 1.349 325 H HN 0.233 nan 8.280 nan 0.000 0.484 326 F N 0.149 120.287 119.950 0.313 0.000 2.113 326 F HA -0.157 4.370 4.527 -0.000 0.000 0.297 326 F C 2.795 178.776 175.800 0.303 0.000 1.103 326 F CA 0.631 58.819 58.000 0.314 0.000 1.248 326 F CB -0.580 38.709 39.000 0.481 0.000 0.999 326 F HN 0.154 nan 8.300 nan 0.000 0.475 327 L N 0.502 121.999 121.223 0.456 0.000 2.357 327 L HA -0.198 4.142 4.340 -0.000 0.000 0.220 327 L C 2.091 179.017 176.870 0.092 0.000 1.123 327 L CA 1.641 56.626 54.840 0.241 0.000 0.782 327 L CB -0.638 41.463 42.059 0.070 0.000 0.910 327 L HN 0.059 nan 8.230 nan 0.000 0.442 328 R N -1.512 119.012 120.500 0.040 0.000 2.105 328 R HA 0.037 4.376 4.340 -0.000 0.000 0.214 328 R C 2.319 178.563 176.300 -0.094 0.000 1.091 328 R CA 0.538 56.601 56.100 -0.063 0.000 1.007 328 R CB -0.187 30.039 30.300 -0.124 0.000 0.912 328 R HN 0.308 nan 8.270 nan 0.000 0.450 329 R N 0.318 120.720 120.500 -0.164 0.000 2.083 329 R HA -0.131 4.208 4.340 -0.000 0.000 0.237 329 R C 1.653 177.823 176.300 -0.216 0.000 1.137 329 R CA 1.710 57.644 56.100 -0.277 0.000 0.951 329 R CB -0.172 29.861 30.300 -0.445 0.000 0.851 329 R HN 0.130 nan 8.270 nan 0.000 0.434 330 F N 0.011 119.981 119.950 0.035 0.000 2.512 330 F HA 0.136 4.663 4.527 -0.000 0.000 0.296 330 F C 2.411 178.209 175.800 -0.004 0.000 1.110 330 F CA 0.522 58.540 58.000 0.031 0.000 1.446 330 F CB -0.099 38.937 39.000 0.060 0.000 1.092 330 F HN 0.150 nan 8.300 nan 0.000 0.554 331 A N -0.036 122.871 122.820 0.144 0.000 1.972 331 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 331 A C 2.102 179.699 177.584 0.020 0.000 1.169 331 A CA 1.913 53.980 52.037 0.049 0.000 0.635 331 A CB -0.628 18.363 19.000 -0.016 0.000 0.810 331 A HN 0.456 nan 8.150 nan 0.000 0.446 332 E N -0.448 119.753 120.200 0.000 0.000 2.033 332 E HA -0.136 4.214 4.350 -0.000 0.000 0.189 332 E C 2.214 178.811 176.600 -0.005 0.000 0.979 332 E CA 0.672 57.059 56.400 -0.022 0.000 0.802 332 E CB -0.187 29.480 29.700 -0.055 0.000 0.763 332 E HN 0.503 nan 8.360 nan 0.000 0.449 333 R N 0.144 120.644 120.500 0.000 0.000 2.211 333 R HA -0.130 4.209 4.340 -0.000 0.000 0.240 333 R C 0.655 176.986 176.300 0.051 0.000 1.144 333 R CA 1.864 57.976 56.100 0.020 0.000 0.992 333 R CB -0.103 30.216 30.300 0.032 0.000 0.869 333 R HN 0.185 nan 8.270 nan 0.000 0.462 334 N N -0.369 118.370 118.700 0.065 0.000 2.214 334 N HA 0.096 4.836 4.740 -0.000 0.000 0.214 334 N C -0.679 174.845 175.510 0.023 0.000 1.132 334 N CA -0.259 52.822 53.050 0.051 0.000 0.856 334 N CB 0.800 39.326 38.487 0.065 0.000 1.020 334 N HN -0.036 nan 8.380 nan 0.000 0.509 335 R N 0.168 120.675 120.500 0.012 0.000 3.502 335 R HA -0.202 4.137 4.340 -0.000 0.000 0.266 335 R C -0.813 175.483 176.300 -0.006 0.000 1.077 335 R CA 0.734 56.833 56.100 -0.002 0.000 0.718 335 R CB -1.816 28.483 30.300 -0.002 0.000 1.120 335 R HN 0.312 nan 8.270 nan 0.000 0.457 336 K N -0.480 119.916 120.400 -0.006 0.000 2.156 336 K HA 0.470 4.790 4.320 -0.000 0.000 0.254 336 K C -0.292 176.288 176.600 -0.034 0.000 0.950 336 K CA -0.854 55.423 56.287 -0.016 0.000 0.849 336 K CB 1.825 34.319 32.500 -0.010 0.000 1.100 336 K HN -0.133 nan 8.250 nan 0.000 0.434 337 V N 3.794 123.682 119.914 -0.044 0.000 2.313 337 V HA 0.145 4.265 4.120 -0.000 0.000 0.252 337 V C -0.299 175.735 176.094 -0.101 0.000 1.112 337 V CA -0.547 61.714 62.300 -0.066 0.000 0.984 337 V CB 0.279 32.067 31.823 -0.058 0.000 1.157 337 V HN 0.374 nan 8.190 nan 0.000 0.493 338 V N 4.284 124.125 119.914 -0.122 0.000 2.628 338 V HA 0.776 4.895 4.120 -0.000 0.000 0.306 338 V C -0.226 175.716 176.094 -0.253 0.000 1.045 338 V CA -0.832 61.356 62.300 -0.186 0.000 0.905 338 V CB 2.237 33.965 31.823 -0.158 0.000 0.997 338 V HN 0.703 nan 8.190 nan 0.000 0.436 339 K N 2.455 122.614 120.400 -0.402 0.000 2.635 339 K HA 0.627 4.947 4.320 -0.000 0.000 0.266 339 K C -0.428 175.809 176.600 -0.605 0.000 1.033 339 K CA 0.597 56.627 56.287 -0.427 0.000 0.919 339 K CB 1.207 33.520 32.500 -0.312 0.000 1.289 339 K HN 1.452 nan 8.250 nan 0.000 0.463 340 G N 2.483 111.050 108.800 -0.389 0.000 2.712 340 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.686 340 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.686 340 G C -1.070 173.714 174.900 -0.193 0.000 1.321 340 G CA -0.799 44.191 45.100 -0.183 0.000 0.813 340 G HN 0.255 nan 8.290 nan 0.000 0.599 341 F N 0.535 120.578 119.950 0.156 0.000 2.458 341 F HA 0.653 5.180 4.527 -0.000 0.000 0.330 341 F C 1.440 177.346 175.800 0.177 0.000 1.082 341 F CA 0.054 58.147 58.000 0.154 0.000 0.995 341 F CB 1.965 41.020 39.000 0.091 0.000 1.170 341 F HN 0.752 nan 8.300 nan 0.000 0.478 342 T N 0.202 114.943 114.554 0.312 0.000 2.916 342 T HA 0.103 4.452 4.350 -0.000 0.000 0.303 342 T C -1.581 173.206 174.700 0.145 0.000 1.025 342 T CA -1.431 60.761 62.100 0.154 0.000 1.142 342 T CB 1.070 69.992 68.868 0.090 0.000 0.947 342 T HN 0.430 nan 8.240 nan 0.000 0.544 343 P HA -0.189 nan 4.420 nan 0.000 0.220 343 P C 1.263 178.593 177.300 0.051 0.000 1.144 343 P CA 1.060 64.203 63.100 0.071 0.000 0.800 343 P CB 0.280 32.007 31.700 0.044 0.000 0.772 344 Q N 1.334 121.161 119.800 0.045 0.000 1.946 344 Q HA -0.085 4.255 4.340 -0.000 0.000 0.199 344 Q C 2.316 178.335 176.000 0.030 0.000 0.979 344 Q CA 2.150 57.973 55.803 0.032 0.000 0.834 344 Q CB -1.519 27.233 28.738 0.024 0.000 0.899 344 Q HN 0.082 nan 8.270 nan 0.000 0.431 345 A N 0.789 123.637 122.820 0.048 0.000 1.881 345 A HA -0.305 4.015 4.320 -0.000 0.000 0.219 345 A C 2.199 179.762 177.584 -0.035 0.000 1.215 345 A CA 2.831 54.890 52.037 0.036 0.000 0.648 345 A CB -1.140 17.935 19.000 0.125 0.000 0.832 345 A HN 0.609 nan 8.150 nan 0.000 0.455 346 M N 0.215 119.796 119.600 -0.031 0.000 2.143 346 M HA -0.181 4.299 4.480 -0.000 0.000 0.258 346 M C 1.611 177.845 176.300 -0.110 0.000 1.071 346 M CA 2.326 57.540 55.300 -0.142 0.000 1.088 346 M CB -0.869 31.716 32.600 -0.026 0.000 1.360 346 M HN 0.584 nan 8.290 nan 0.000 0.404 347 D N -0.648 119.731 120.400 -0.035 0.000 2.117 347 D HA -0.151 4.489 4.640 -0.000 0.000 0.197 347 D C 1.773 178.080 176.300 0.012 0.000 0.987 347 D CA 1.488 55.487 54.000 -0.002 0.000 0.829 347 D CB 0.092 40.928 40.800 0.060 0.000 0.961 347 D HN 0.370 nan 8.370 nan 0.000 0.460 348 L N 0.718 121.941 121.223 -0.001 0.000 1.961 348 L HA -0.129 4.211 4.340 -0.000 0.000 0.209 348 L C 2.801 179.645 176.870 -0.044 0.000 1.075 348 L CA 0.871 55.709 54.840 -0.003 0.000 0.749 348 L CB -1.100 40.930 42.059 -0.049 0.000 0.890 348 L HN 0.032 nan 8.230 nan 0.000 0.433 349 L N -0.560 120.608 121.223 -0.092 0.000 2.095 349 L HA -0.374 3.966 4.340 -0.000 0.000 0.229 349 L C 2.559 179.371 176.870 -0.096 0.000 1.097 349 L CA 1.699 56.478 54.840 -0.101 0.000 0.813 349 L CB -0.696 41.226 42.059 -0.229 0.000 0.907 349 L HN 0.289 nan 8.230 nan 0.000 0.445 350 I N -1.404 119.060 120.570 -0.177 0.000 2.361 350 I HA -0.285 3.884 4.170 -0.000 0.000 0.251 350 I C 2.078 178.014 176.117 -0.302 0.000 1.133 350 I CA 1.097 62.240 61.300 -0.261 0.000 1.413 350 I CB -0.266 37.499 38.000 -0.392 0.000 1.073 350 I HN 0.394 nan 8.210 nan 0.000 0.424 351 H N -2.185 116.884 119.070 -0.002 0.000 2.551 351 H HA 0.058 4.614 4.556 -0.000 0.000 0.271 351 H C 0.858 176.089 175.328 -0.162 0.000 0.984 351 H CA 0.319 56.358 56.048 -0.015 0.000 1.164 351 H CB 0.404 30.154 29.762 -0.021 0.000 1.437 351 H HN 0.443 nan 8.280 nan 0.000 0.550 352 Y N 1.323 121.460 120.300 -0.273 0.000 2.954 352 Y HA 0.101 4.651 4.550 -0.000 0.000 0.144 352 Y C -0.173 175.430 175.900 -0.495 0.000 0.882 352 Y CA -0.359 57.360 58.100 -0.636 0.000 1.796 352 Y CB 0.177 38.324 38.460 -0.521 0.000 1.228 352 Y HN -0.148 nan 8.280 nan 0.000 0.369 353 D N 1.386 121.463 120.400 -0.538 0.000 2.827 353 D HA -0.253 4.386 4.640 -0.000 0.000 0.217 353 D C -0.108 175.991 176.300 -0.334 0.000 1.233 353 D CA 0.829 54.560 54.000 -0.449 0.000 0.618 353 D CB -0.943 39.847 40.800 -0.016 0.000 0.984 353 D HN 0.446 nan 8.370 nan 0.000 0.399 354 W N 0.231 121.005 121.300 -0.877 0.000 2.702 354 W HA 0.057 4.717 4.660 -0.000 0.000 0.310 354 W C -0.505 175.842 176.519 -0.287 0.000 1.084 354 W CA 0.253 57.334 57.345 -0.439 0.000 1.511 354 W CB -2.268 26.963 29.460 -0.380 0.000 1.223 354 W HN 0.098 nan 8.180 nan 0.000 0.482 355 P HA -0.098 nan 4.420 nan 0.000 0.221 355 P C 0.665 177.966 177.300 0.002 0.000 1.141 355 P CA 1.949 65.069 63.100 0.034 0.000 0.794 355 P CB -0.182 31.556 31.700 0.063 0.000 0.764 356 G N -0.466 108.327 108.800 -0.011 0.000 4.956 356 G HA2 0.100 4.060 3.960 -0.000 0.000 0.290 356 G HA3 0.100 4.060 3.960 -0.000 0.000 0.290 356 G C 0.662 175.553 174.900 -0.016 0.000 1.352 356 G CA -0.397 44.695 45.100 -0.013 0.000 0.983 356 G HN -0.023 nan 8.290 nan 0.000 0.581 357 N N 0.614 119.305 118.700 -0.015 0.000 1.868 357 N HA -0.264 4.476 4.740 -0.000 0.000 0.153 357 N C 1.487 177.001 175.510 0.008 0.000 0.785 357 N CA 1.764 54.813 53.050 -0.002 0.000 0.853 357 N CB -0.062 38.422 38.487 -0.006 0.000 0.906 357 N HN 0.303 nan 8.380 nan 0.000 1.089 358 I N 1.268 121.849 120.570 0.020 0.000 2.584 358 I HA -0.016 4.154 4.170 -0.000 0.000 0.255 358 I C 2.315 178.412 176.117 -0.033 0.000 1.145 358 I CA 0.638 61.962 61.300 0.040 0.000 1.462 358 I CB -0.377 37.689 38.000 0.110 0.000 1.102 358 I HN 0.133 nan 8.210 nan 0.000 0.433 359 R N 0.417 120.902 120.500 -0.025 0.000 2.159 359 R HA -0.194 4.145 4.340 -0.000 0.000 0.237 359 R C 2.011 178.260 176.300 -0.084 0.000 1.131 359 R CA 1.227 57.295 56.100 -0.054 0.000 0.982 359 R CB -0.529 29.757 30.300 -0.023 0.000 0.868 359 R HN 0.577 nan 8.270 nan 0.000 0.453 360 E N 0.437 120.604 120.200 -0.056 0.000 2.122 360 E HA -0.104 4.245 4.350 -0.000 0.000 0.190 360 E C 1.906 178.470 176.600 -0.060 0.000 0.977 360 E CA 0.245 56.622 56.400 -0.038 0.000 0.820 360 E CB -0.005 29.702 29.700 0.011 0.000 0.770 360 E HN 0.123 nan 8.360 nan 0.000 0.462 361 L N 1.636 122.815 121.223 -0.074 0.000 2.072 361 L HA -0.077 4.263 4.340 -0.000 0.000 0.205 361 L C 2.273 178.995 176.870 -0.246 0.000 1.079 361 L CA 2.187 56.978 54.840 -0.081 0.000 0.752 361 L CB -0.570 41.480 42.059 -0.014 0.000 0.906 361 L HN 0.247 nan 8.230 nan 0.000 0.436 362 E N -0.112 119.794 120.200 -0.490 0.000 2.065 362 E HA -0.340 4.010 4.350 -0.000 0.000 0.201 362 E C 2.087 178.450 176.600 -0.395 0.000 1.016 362 E CA 1.758 57.664 56.400 -0.825 0.000 0.818 362 E CB -0.460 28.783 29.700 -0.762 0.000 0.749 362 E HN 0.723 nan 8.360 nan 0.000 0.453 363 N N 0.793 119.344 118.700 -0.249 0.000 2.069 363 N HA -0.218 4.522 4.740 -0.000 0.000 0.191 363 N C 1.828 177.215 175.510 -0.205 0.000 1.031 363 N CA 1.979 54.909 53.050 -0.200 0.000 0.852 363 N CB -0.440 37.979 38.487 -0.113 0.000 1.018 363 N HN 0.234 nan 8.380 nan 0.000 0.423 364 A N 0.860 123.595 122.820 -0.141 0.000 1.940 364 A HA -0.055 4.265 4.320 -0.000 0.000 0.219 364 A C 2.499 180.022 177.584 -0.102 0.000 1.176 364 A CA 1.069 53.048 52.037 -0.097 0.000 0.631 364 A CB -0.581 18.391 19.000 -0.047 0.000 0.814 364 A HN 0.404 nan 8.150 nan 0.000 0.446 365 I N -0.961 119.538 120.570 -0.118 0.000 2.235 365 I HA -0.200 3.970 4.170 -0.000 0.000 0.241 365 I C 2.476 178.435 176.117 -0.263 0.000 1.085 365 I CA 1.524 62.796 61.300 -0.047 0.000 1.378 365 I CB -0.230 37.859 38.000 0.150 0.000 1.076 365 I HN 0.529 nan 8.210 nan 0.000 0.415 366 E N 1.084 120.864 120.200 -0.701 0.000 2.147 366 E HA -0.344 4.006 4.350 -0.000 0.000 0.199 366 E C 2.323 178.644 176.600 -0.465 0.000 1.005 366 E CA 1.557 57.280 56.400 -1.127 0.000 0.810 366 E CB -0.063 28.675 29.700 -1.604 0.000 0.736 366 E HN 0.282 nan 8.360 nan 0.000 0.460 367 R N -0.038 120.283 120.500 -0.298 0.000 2.070 367 R HA -0.167 4.173 4.340 -0.000 0.000 0.233 367 R C 2.350 178.586 176.300 -0.107 0.000 1.137 367 R CA 1.537 57.540 56.100 -0.162 0.000 0.945 367 R CB -0.417 29.815 30.300 -0.114 0.000 0.845 367 R HN 0.241 nan 8.270 nan 0.000 0.430 368 A N 0.299 123.073 122.820 -0.076 0.000 1.873 368 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 368 A C 2.311 179.880 177.584 -0.025 0.000 1.193 368 A CA 1.931 53.956 52.037 -0.019 0.000 0.629 368 A CB -0.919 18.110 19.000 0.047 0.000 0.826 368 A HN 0.251 nan 8.150 nan 0.000 0.447 369 V N -0.251 119.639 119.914 -0.040 0.000 2.231 369 V HA -0.301 3.818 4.120 -0.000 0.000 0.248 369 V C 2.599 178.677 176.094 -0.027 0.000 1.054 369 V CA 2.259 64.544 62.300 -0.026 0.000 1.015 369 V CB -0.942 30.882 31.823 0.003 0.000 0.638 369 V HN 0.395 nan 8.190 nan 0.000 0.444 370 V N -0.386 119.500 119.914 -0.046 0.000 2.370 370 V HA -0.305 3.815 4.120 -0.000 0.000 0.252 370 V C 2.211 178.291 176.094 -0.023 0.000 1.068 370 V CA 2.130 64.411 62.300 -0.030 0.000 1.061 370 V CB -0.592 31.204 31.823 -0.045 0.000 0.656 370 V HN 0.459 nan 8.190 nan 0.000 0.455 371 L N -1.079 120.128 121.223 -0.027 0.000 2.209 371 L HA 0.108 4.448 4.340 -0.000 0.000 0.207 371 L C 1.111 177.976 176.870 -0.009 0.000 1.094 371 L CA -0.014 54.816 54.840 -0.018 0.000 0.790 371 L CB -0.179 41.868 42.059 -0.019 0.000 0.932 371 L HN 0.317 nan 8.230 nan 0.000 0.447 372 L N 2.196 123.414 121.223 -0.008 0.000 2.700 372 L HA -0.062 4.278 4.340 -0.000 0.000 0.276 372 L C 0.539 177.408 176.870 -0.002 0.000 1.200 372 L CA 0.746 55.585 54.840 -0.002 0.000 0.951 372 L CB 0.013 42.065 42.059 -0.011 0.000 1.226 372 L HN 0.122 nan 8.230 nan 0.000 0.489 373 T N 2.852 117.409 114.554 0.005 0.000 3.029 373 T HA 0.798 5.148 4.350 -0.000 0.000 0.346 373 T C 0.273 174.981 174.700 0.013 0.000 1.211 373 T CA -0.006 62.097 62.100 0.005 0.000 1.009 373 T CB 0.497 69.368 68.868 0.005 0.000 1.084 373 T HN 1.181 nan 8.240 nan 0.000 0.536 374 G N 2.736 111.542 108.800 0.010 0.000 2.260 374 G HA2 0.066 4.026 3.960 -0.000 0.000 0.250 374 G HA3 0.066 4.026 3.960 -0.000 0.000 0.250 374 G C -0.291 174.614 174.900 0.009 0.000 1.340 374 G CA -0.271 44.844 45.100 0.024 0.000 1.056 374 G HN 0.392 nan 8.290 nan 0.000 0.471 375 E N -1.048 119.179 120.200 0.045 0.000 2.399 375 E HA 0.228 4.578 4.350 -0.000 0.000 0.205 375 E C -0.519 175.950 176.600 -0.217 0.000 0.906 375 E CA 0.316 56.668 56.400 -0.079 0.000 0.998 375 E CB 1.052 30.690 29.700 -0.102 0.000 1.002 375 E HN 0.344 nan 8.360 nan 0.000 0.501 376 Y N 1.237 121.510 120.300 -0.045 0.000 2.328 376 Y HA 0.259 4.809 4.550 -0.000 0.000 0.337 376 Y C 0.081 175.959 175.900 -0.037 0.000 0.966 376 Y CA -1.768 56.297 58.100 -0.058 0.000 1.136 376 Y CB 0.903 39.352 38.460 -0.019 0.000 1.170 376 Y HN -0.028 nan 8.280 nan 0.000 0.470 377 I N 2.260 122.850 120.570 0.033 0.000 2.588 377 I HA 0.511 4.680 4.170 -0.000 0.000 0.283 377 I C 0.139 176.381 176.117 0.209 0.000 1.119 377 I CA 0.304 61.662 61.300 0.097 0.000 1.419 377 I CB 0.459 38.506 38.000 0.079 0.000 1.394 377 I HN 0.507 nan 8.210 nan 0.000 0.562 378 S N 3.741 119.532 115.700 0.151 0.000 2.740 378 S HA 0.431 4.901 4.470 -0.000 0.000 0.300 378 S C 0.845 175.493 174.600 0.080 0.000 1.147 378 S CA -0.041 58.233 58.200 0.123 0.000 0.871 378 S CB 0.914 64.162 63.200 0.079 0.000 1.173 378 S HN 0.834 nan 8.310 nan 0.000 0.510 379 E N 0.972 121.201 120.200 0.049 0.000 2.113 379 E HA -0.248 4.102 4.350 -0.000 0.000 0.210 379 E C 1.109 177.711 176.600 0.005 0.000 1.040 379 E CA 1.654 58.063 56.400 0.015 0.000 0.847 379 E CB -0.189 29.512 29.700 0.001 0.000 0.755 379 E HN 0.610 nan 8.360 nan 0.000 0.459 380 R N 0.358 120.864 120.500 0.009 0.000 3.732 380 R HA 0.074 4.414 4.340 -0.000 0.000 0.258 380 R C -0.070 176.233 176.300 0.004 0.000 1.661 380 R CA 0.283 56.382 56.100 -0.001 0.000 1.424 380 R CB 0.152 30.451 30.300 -0.003 0.000 1.308 380 R HN 0.231 nan 8.270 nan 0.000 0.634 381 E N 0.392 120.599 120.200 0.011 0.000 2.679 381 E HA 0.220 4.570 4.350 -0.000 0.000 0.221 381 E C 0.292 176.894 176.600 0.005 0.000 0.928 381 E CA -0.164 56.243 56.400 0.013 0.000 1.296 381 E CB 0.596 30.317 29.700 0.036 0.000 1.235 381 E HN 0.229 nan 8.360 nan 0.000 0.622 382 L N 3.468 124.690 121.223 -0.003 0.000 2.439 382 L HA 0.338 4.678 4.340 -0.000 0.000 0.259 382 L C -1.961 174.877 176.870 -0.054 0.000 1.129 382 L CA -1.823 53.002 54.840 -0.024 0.000 0.803 382 L CB 0.180 42.217 42.059 -0.036 0.000 1.161 382 L HN -0.200 nan 8.230 nan 0.000 0.462 383 P HA 0.019 nan 4.420 nan 0.000 0.267 383 P C 0.799 178.035 177.300 -0.107 0.000 1.200 383 P CA -0.092 62.959 63.100 -0.081 0.000 0.772 383 P CB 0.856 32.507 31.700 -0.083 0.000 0.855 384 L N 2.592 123.761 121.223 -0.091 0.000 1.990 384 L HA -0.237 4.103 4.340 -0.000 0.000 0.213 384 L C 2.365 179.150 176.870 -0.142 0.000 1.072 384 L CA 2.144 56.926 54.840 -0.096 0.000 0.755 384 L CB -1.331 40.685 42.059 -0.071 0.000 0.889 384 L HN 0.392 nan 8.230 nan 0.000 0.432 385 A N -0.559 122.168 122.820 -0.155 0.000 2.283 385 A HA -0.139 4.181 4.320 -0.000 0.000 0.203 385 A C 1.326 178.659 177.584 -0.418 0.000 1.297 385 A CA 0.950 52.860 52.037 -0.212 0.000 0.828 385 A CB -0.776 18.136 19.000 -0.147 0.000 0.749 385 A HN 0.361 nan 8.150 nan 0.000 0.511 386 I N -1.273 119.074 120.570 -0.372 0.000 3.326 386 I HA 0.430 4.600 4.170 -0.000 0.000 0.336 386 I C 0.753 176.713 176.117 -0.262 0.000 1.543 386 I CA -0.783 60.240 61.300 -0.462 0.000 1.013 386 I CB 0.012 37.745 38.000 -0.445 0.000 1.468 386 I HN 0.132 nan 8.210 nan 0.000 0.515 387 A N 1.600 124.299 122.820 -0.202 0.000 3.282 387 A HA 0.908 5.228 4.320 -0.000 0.000 0.287 387 A C 0.367 177.884 177.584 -0.113 0.000 1.366 387 A CA 0.362 52.322 52.037 -0.130 0.000 1.069 387 A CB -0.551 18.391 19.000 -0.098 0.000 1.109 387 A HN 0.554 nan 8.150 nan 0.000 0.638 388 A N -1.070 121.673 122.820 -0.129 0.000 2.586 388 A HA 0.891 5.210 4.320 -0.000 0.000 0.291 388 A C -0.171 177.352 177.584 -0.102 0.000 1.062 388 A CA 0.262 52.240 52.037 -0.098 0.000 0.666 388 A CB 0.071 19.018 19.000 -0.088 0.000 1.281 388 A HN 1.270 nan 8.150 nan 0.000 0.421 389 T N 0.000 114.507 114.554 -0.078 0.000 3.816 389 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 389 T CA 0.000 62.052 62.100 -0.080 0.000 1.349 389 T CB 0.000 68.824 68.868 -0.073 0.000 0.612 389 T HN 0.000 nan 8.240 nan 0.000 0.658