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 1cqx_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLTQKTKDIV KATAPVLAEH GYDIIKCFYQ RMFEAHPELK NVFNMAHQEQ DATA SEQUENCE GQQQQALARA VYAYAENIED PNSLMAVLKN IANKHASLGV KPEQYPIVGE DATA SEQUENCE HLLAAIKEVL GNAATDDIIS AWAQAYGNLA DVLMGMESEL YERSAEQPGG DATA SEQUENCE WKGWRTFVIR EKRPESDVIT SFILEPADGG PVVNFEPGQY TSVAIDVPAL DATA SEQUENCE GLQQIRQYSL SDMPNGRTYR ISVKREGGGP QPPGYVSNLL HDHVNVGDQV DATA SEQUENCE KLAAPYGSFH IDVDAKTPIV LISGGVGLTP MVSMLKVALQ APPRQVVFVH DATA SEQUENCE GARNSAVHAM RDRLREAAKT YENLDLFVFY DQPLPEDVQG RDYDYPGLVD DATA SEQUENCE VKQIEKSILL PDADYYICGP IPFMRMQHDA LKNLGIHEAR IHYEVFGPDL DATA SEQUENCE FAE 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.285 176.300 -0.025 0.000 1.140 1 M CA 0.000 55.287 55.300 -0.021 0.000 0.988 1 M CB 0.000 32.587 32.600 -0.022 0.000 1.302 2 L N 3.888 125.093 121.223 -0.031 0.000 2.367 2 L HA 0.398 4.738 4.340 -0.000 0.000 0.275 2 L C 1.149 177.990 176.870 -0.048 0.000 1.129 2 L CA 0.516 55.330 54.840 -0.044 0.000 0.839 2 L CB 0.949 42.973 42.059 -0.059 0.000 1.133 2 L HN 0.792 nan 8.230 nan 0.000 0.453 3 T N -0.465 114.061 114.554 -0.047 0.000 2.828 3 T HA 0.155 4.505 4.350 -0.000 0.000 0.290 3 T C 0.863 175.529 174.700 -0.056 0.000 1.019 3 T CA -0.516 61.557 62.100 -0.044 0.000 1.031 3 T CB 0.853 69.699 68.868 -0.037 0.000 1.001 3 T HN 0.531 nan 8.240 nan 0.000 0.531 4 Q N 0.543 120.313 119.800 -0.050 0.000 2.124 4 Q HA -0.077 4.263 4.340 -0.000 0.000 0.202 4 Q C 2.190 178.154 176.000 -0.060 0.000 0.977 4 Q CA 1.768 57.537 55.803 -0.056 0.000 0.850 4 Q CB -0.365 28.345 28.738 -0.046 0.000 0.901 4 Q HN 0.722 nan 8.270 nan 0.000 0.429 5 K N -0.898 119.472 120.400 -0.050 0.000 2.063 5 K HA -0.115 4.205 4.320 -0.000 0.000 0.208 5 K C 2.035 178.597 176.600 -0.064 0.000 1.048 5 K CA 1.708 57.967 56.287 -0.047 0.000 0.928 5 K CB -0.190 32.289 32.500 -0.035 0.000 0.713 5 K HN 0.305 nan 8.250 nan 0.000 0.442 6 T N 1.274 115.784 114.554 -0.074 0.000 2.746 6 T HA -0.111 4.239 4.350 -0.000 0.000 0.267 6 T C 1.714 176.323 174.700 -0.152 0.000 1.039 6 T CA 1.278 63.316 62.100 -0.103 0.000 1.142 6 T CB -0.029 68.783 68.868 -0.093 0.000 0.866 6 T HN 0.268 nan 8.240 nan 0.000 0.444 7 K N 0.876 121.192 120.400 -0.141 0.000 2.097 7 K HA -0.113 4.207 4.320 -0.000 0.000 0.206 7 K C 2.021 178.524 176.600 -0.162 0.000 1.049 7 K CA 1.353 57.533 56.287 -0.178 0.000 0.933 7 K CB -0.133 32.277 32.500 -0.149 0.000 0.717 7 K HN 0.278 nan 8.250 nan 0.000 0.442 8 D N 0.956 121.290 120.400 -0.109 0.000 2.144 8 D HA -0.111 4.529 4.640 -0.000 0.000 0.200 8 D C 1.879 178.140 176.300 -0.065 0.000 0.978 8 D CA 0.970 54.925 54.000 -0.076 0.000 0.833 8 D CB -0.091 40.679 40.800 -0.050 0.000 0.961 8 D HN 0.208 nan 8.370 nan 0.000 0.470 9 I N 0.435 120.956 120.570 -0.081 0.000 2.252 9 I HA -0.206 3.964 4.170 -0.000 0.000 0.245 9 I C 2.420 178.496 176.117 -0.069 0.000 1.102 9 I CA 0.496 61.766 61.300 -0.051 0.000 1.385 9 I CB -0.118 37.848 38.000 -0.057 0.000 1.064 9 I HN -0.124 nan 8.210 nan 0.000 0.414 10 V N 1.089 120.850 119.914 -0.255 0.000 2.287 10 V HA -0.311 3.809 4.120 -0.000 0.000 0.248 10 V C 2.437 178.489 176.094 -0.070 0.000 1.053 10 V CA 1.925 63.967 62.300 -0.432 0.000 1.027 10 V CB -0.689 30.705 31.823 -0.715 0.000 0.646 10 V HN 0.385 nan 8.190 nan 0.000 0.447 11 K N 0.100 120.445 120.400 -0.091 0.000 2.057 11 K HA -0.119 4.201 4.320 -0.000 0.000 0.207 11 K C 2.240 178.881 176.600 0.067 0.000 1.049 11 K CA 1.482 57.764 56.287 -0.008 0.000 0.931 11 K CB -0.393 32.080 32.500 -0.045 0.000 0.714 11 K HN 0.486 nan 8.250 nan 0.000 0.440 12 A N 0.965 123.820 122.820 0.058 0.000 2.014 12 A HA -0.106 4.214 4.320 -0.000 0.000 0.218 12 A C 2.068 179.726 177.584 0.124 0.000 1.163 12 A CA 1.868 53.952 52.037 0.078 0.000 0.652 12 A CB -0.529 18.503 19.000 0.053 0.000 0.808 12 A HN 0.454 nan 8.150 nan 0.000 0.449 13 T N -3.970 110.701 114.554 0.196 0.000 3.040 13 T HA 0.475 4.825 4.350 -0.000 0.000 0.250 13 T C 1.725 176.570 174.700 0.242 0.000 1.058 13 T CA 0.861 63.105 62.100 0.240 0.000 0.988 13 T CB 0.115 69.193 68.868 0.350 0.000 0.993 13 T HN 0.425 nan 8.240 nan 0.000 0.519 14 A N 3.091 126.091 122.820 0.301 0.000 1.917 14 A HA 0.041 4.360 4.320 -0.000 0.000 0.219 14 A C 0.171 177.686 177.584 -0.115 0.000 1.182 14 A CA 1.373 53.512 52.037 0.169 0.000 0.633 14 A CB -1.653 17.446 19.000 0.166 0.000 0.819 14 A HN 0.467 nan 8.150 nan 0.000 0.448 15 P HA -0.093 nan 4.420 nan 0.000 0.218 15 P C 1.483 178.775 177.300 -0.014 0.000 1.148 15 P CA 1.208 64.312 63.100 0.008 0.000 0.822 15 P CB -0.032 31.764 31.700 0.159 0.000 0.784 16 V N -1.280 118.640 119.914 0.010 0.000 2.407 16 V HA -0.158 3.962 4.120 -0.000 0.000 0.245 16 V C 2.244 178.356 176.094 0.030 0.000 1.041 16 V CA 1.371 63.701 62.300 0.050 0.000 1.040 16 V CB -1.041 30.821 31.823 0.064 0.000 0.671 16 V HN 0.020 nan 8.190 nan 0.000 0.455 17 L N 0.516 121.657 121.223 -0.138 0.000 2.056 17 L HA -0.062 4.278 4.340 -0.000 0.000 0.207 17 L C 2.618 179.379 176.870 -0.182 0.000 1.078 17 L CA 2.100 56.787 54.840 -0.255 0.000 0.749 17 L CB -1.031 40.671 42.059 -0.595 0.000 0.901 17 L HN 0.276 nan 8.230 nan 0.000 0.433 18 A N -0.867 121.819 122.820 -0.223 0.000 1.908 18 A HA -0.285 4.035 4.320 -0.000 0.000 0.218 18 A C 2.335 179.862 177.584 -0.095 0.000 1.181 18 A CA 1.912 53.825 52.037 -0.207 0.000 0.627 18 A CB -0.653 18.107 19.000 -0.400 0.000 0.818 18 A HN 0.504 nan 8.150 nan 0.000 0.445 19 E N -0.662 119.486 120.200 -0.086 0.000 2.097 19 E HA -0.265 4.085 4.350 -0.000 0.000 0.196 19 E C 1.014 177.470 176.600 -0.241 0.000 1.000 19 E CA 1.636 57.944 56.400 -0.155 0.000 0.804 19 E CB -0.158 29.416 29.700 -0.209 0.000 0.740 19 E HN 0.837 nan 8.360 nan 0.000 0.454 20 H N -1.308 117.725 119.070 -0.061 0.000 2.505 20 H HA 0.239 4.795 4.556 -0.000 0.000 0.289 20 H C 1.379 176.673 175.328 -0.058 0.000 1.052 20 H CA 0.249 56.268 56.048 -0.049 0.000 1.156 20 H CB 0.568 30.285 29.762 -0.075 0.000 1.507 20 H HN 0.260 nan 8.280 nan 0.000 0.548 21 G N 0.700 109.510 108.800 0.017 0.000 2.529 21 G HA2 -0.423 3.536 3.960 -0.000 0.000 0.219 21 G HA3 -0.423 3.536 3.960 -0.000 0.000 0.219 21 G C 1.523 176.429 174.900 0.011 0.000 1.177 21 G CA 1.277 46.364 45.100 -0.021 0.000 0.773 21 G HN 0.523 nan 8.290 nan 0.000 0.573 22 Y N 1.797 122.075 120.300 -0.037 0.000 2.181 22 Y HA -0.105 4.445 4.550 -0.000 0.000 0.288 22 Y C 2.482 178.372 175.900 -0.018 0.000 1.146 22 Y CA 2.082 60.170 58.100 -0.020 0.000 1.164 22 Y CB -0.047 38.412 38.460 -0.001 0.000 0.982 22 Y HN 0.204 nan 8.280 nan 0.000 0.515 23 D N 0.267 120.737 120.400 0.116 0.000 2.178 23 D HA -0.170 4.470 4.640 -0.000 0.000 0.202 23 D C 2.303 178.553 176.300 -0.083 0.000 0.974 23 D CA 1.581 55.600 54.000 0.032 0.000 0.841 23 D CB -0.212 40.665 40.800 0.129 0.000 0.953 23 D HN 0.464 nan 8.370 nan 0.000 0.478 24 I N 0.869 121.389 120.570 -0.084 0.000 2.142 24 I HA -0.226 3.944 4.170 -0.000 0.000 0.240 24 I C 2.246 178.247 176.117 -0.193 0.000 1.078 24 I CA 0.647 61.865 61.300 -0.136 0.000 1.343 24 I CB -0.083 37.819 38.000 -0.164 0.000 1.046 24 I HN -0.035 nan 8.210 nan 0.000 0.405 25 I N 0.960 121.364 120.570 -0.276 0.000 2.361 25 I HA -0.265 3.904 4.170 -0.000 0.000 0.251 25 I C 2.485 178.324 176.117 -0.463 0.000 1.133 25 I CA 1.457 62.513 61.300 -0.407 0.000 1.413 25 I CB -1.105 36.622 38.000 -0.454 0.000 1.073 25 I HN 0.309 nan 8.210 nan 0.000 0.424 26 K N 0.262 120.427 120.400 -0.392 0.000 2.026 26 K HA -0.227 4.093 4.320 -0.000 0.000 0.208 26 K C 2.491 179.003 176.600 -0.148 0.000 1.048 26 K CA 1.766 57.887 56.287 -0.276 0.000 0.929 26 K CB -0.204 32.074 32.500 -0.371 0.000 0.713 26 K HN 0.343 nan 8.250 nan 0.000 0.439 27 C N 0.626 119.846 119.300 -0.133 0.000 2.440 27 C HA -0.065 4.395 4.460 -0.000 0.000 0.278 27 C C 2.458 177.389 174.990 -0.100 0.000 1.295 27 C CA 0.372 59.338 59.018 -0.087 0.000 1.738 27 C CB -1.297 26.405 27.740 -0.063 0.000 1.987 27 C HN 0.648 nan 8.230 nan 0.000 0.492 28 F N 0.575 120.352 119.950 -0.288 0.000 2.069 28 F HA -0.142 4.385 4.527 -0.000 0.000 0.298 28 F C 2.067 177.631 175.800 -0.394 0.000 1.113 28 F CA 2.001 59.800 58.000 -0.335 0.000 1.214 28 F CB -1.140 37.593 39.000 -0.446 0.000 0.978 28 F HN 0.390 nan 8.300 nan 0.000 0.474 29 Y N 0.235 120.102 120.300 -0.721 0.000 2.128 29 Y HA -0.343 4.206 4.550 -0.000 0.000 0.284 29 Y C 2.896 178.290 175.900 -0.844 0.000 1.154 29 Y CA 1.230 58.667 58.100 -1.106 0.000 1.149 29 Y CB -0.701 37.424 38.460 -0.558 0.000 0.976 29 Y HN 0.252 nan 8.280 nan 0.000 0.505 30 Q N 0.807 120.468 119.800 -0.231 0.000 2.030 30 Q HA -0.249 4.091 4.340 -0.000 0.000 0.204 30 Q C 2.197 178.075 176.000 -0.204 0.000 0.986 30 Q CA 1.856 57.580 55.803 -0.131 0.000 0.843 30 Q CB -0.080 28.619 28.738 -0.065 0.000 0.904 30 Q HN 0.408 nan 8.270 nan 0.000 0.420 31 R N -0.186 120.156 120.500 -0.264 0.000 2.062 31 R HA -0.108 4.231 4.340 -0.000 0.000 0.231 31 R C 2.469 178.446 176.300 -0.538 0.000 1.136 31 R CA 1.806 57.751 56.100 -0.259 0.000 0.948 31 R CB -0.379 29.860 30.300 -0.101 0.000 0.845 31 R HN 0.396 nan 8.270 nan 0.000 0.430 32 M N 0.063 119.148 119.600 -0.858 0.000 2.149 32 M HA -0.171 4.309 4.480 -0.000 0.000 0.261 32 M C 1.486 177.495 176.300 -0.485 0.000 1.064 32 M CA 1.813 56.485 55.300 -1.047 0.000 1.102 32 M CB -0.017 31.877 32.600 -1.177 0.000 1.369 32 M HN 0.149 nan 8.290 nan 0.000 0.408 33 F N -0.133 119.599 119.950 -0.364 0.000 2.407 33 F HA -0.106 4.421 4.527 -0.000 0.000 0.299 33 F C 2.121 177.816 175.800 -0.175 0.000 1.097 33 F CA 0.380 58.243 58.000 -0.227 0.000 1.422 33 F CB -0.101 38.770 39.000 -0.214 0.000 1.067 33 F HN 0.247 nan 8.300 nan 0.000 0.539 34 E N 0.408 120.591 120.200 -0.028 0.000 2.158 34 E HA -0.086 4.264 4.350 -0.000 0.000 0.191 34 E C 2.262 178.807 176.600 -0.091 0.000 0.982 34 E CA 0.776 57.146 56.400 -0.050 0.000 0.823 34 E CB -0.055 29.609 29.700 -0.060 0.000 0.766 34 E HN 0.350 nan 8.360 nan 0.000 0.468 35 A N 0.694 123.421 122.820 -0.154 0.000 1.935 35 A HA -0.029 4.291 4.320 -0.000 0.000 0.214 35 A C 0.908 178.257 177.584 -0.392 0.000 1.178 35 A CA 0.670 52.579 52.037 -0.213 0.000 0.640 35 A CB 0.159 19.083 19.000 -0.127 0.000 0.825 35 A HN 0.168 nan 8.150 nan 0.000 0.447 36 H N -0.789 118.263 119.070 -0.030 0.000 2.429 36 H HA 0.187 4.743 4.556 -0.000 0.000 0.231 36 H C -2.129 173.242 175.328 0.071 0.000 1.416 36 H CA -1.268 54.800 56.048 0.033 0.000 1.443 36 H CB 0.924 30.720 29.762 0.057 0.000 1.591 36 H HN 0.335 nan 8.280 nan 0.000 0.507 37 P HA -0.198 nan 4.420 nan 0.000 0.221 37 P C 1.409 178.703 177.300 -0.011 0.000 1.145 37 P CA 1.047 64.154 63.100 0.012 0.000 0.795 37 P CB 0.444 32.124 31.700 -0.032 0.000 0.775 38 E N 1.099 121.335 120.200 0.059 0.000 2.209 38 E HA -0.163 4.187 4.350 -0.000 0.000 0.196 38 E C 1.981 178.618 176.600 0.062 0.000 0.993 38 E CA 0.928 57.358 56.400 0.050 0.000 0.819 38 E CB -1.347 28.406 29.700 0.089 0.000 0.745 38 E HN 0.331 nan 8.360 nan 0.000 0.477 39 L N 0.418 121.729 121.223 0.147 0.000 2.549 39 L HA -0.025 4.315 4.340 -0.000 0.000 0.229 39 L C 2.326 179.298 176.870 0.170 0.000 1.158 39 L CA 0.763 55.761 54.840 0.263 0.000 0.842 39 L CB -0.265 42.088 42.059 0.490 0.000 0.952 39 L HN 0.038 nan 8.230 nan 0.000 0.452 40 K N -0.025 120.243 120.400 -0.219 0.000 2.439 40 K HA -0.048 4.271 4.320 -0.000 0.000 0.197 40 K C 1.282 177.757 176.600 -0.209 0.000 1.041 40 K CA 0.493 56.482 56.287 -0.497 0.000 0.970 40 K CB -0.029 32.086 32.500 -0.642 0.000 0.773 40 K HN 0.367 nan 8.250 nan 0.000 0.479 41 N N 0.257 118.899 118.700 -0.097 0.000 2.461 41 N HA -0.038 4.702 4.740 -0.000 0.000 0.188 41 N C 1.122 176.617 175.510 -0.025 0.000 1.134 41 N CA 0.650 53.657 53.050 -0.071 0.000 0.878 41 N CB 0.738 39.197 38.487 -0.047 0.000 0.972 41 N HN -0.003 nan 8.380 nan 0.000 0.456 42 V N -0.622 119.296 119.914 0.007 0.000 3.359 42 V HA 0.224 4.344 4.120 -0.000 0.000 0.245 42 V C 0.288 176.301 176.094 -0.135 0.000 1.247 42 V CA 0.201 62.474 62.300 -0.045 0.000 1.145 42 V CB 0.127 31.892 31.823 -0.096 0.000 0.906 42 V HN -0.079 nan 8.190 nan 0.000 0.464 43 F N 1.194 121.153 119.950 0.015 0.000 2.371 43 F HA 0.330 4.857 4.527 -0.000 0.000 0.329 43 F C 0.764 176.529 175.800 -0.058 0.000 1.107 43 F CA -0.406 57.612 58.000 0.030 0.000 1.137 43 F CB 0.424 39.503 39.000 0.131 0.000 1.214 43 F HN -0.036 nan 8.300 nan 0.000 0.536 44 N N 2.461 121.263 118.700 0.170 0.000 2.420 44 N HA 0.062 4.801 4.740 -0.000 0.000 0.262 44 N C 0.575 176.080 175.510 -0.009 0.000 1.144 44 N CA -0.439 52.650 53.050 0.066 0.000 0.952 44 N CB 0.466 39.006 38.487 0.088 0.000 1.081 44 N HN 0.499 nan 8.380 nan 0.000 0.480 45 M N 2.087 121.642 119.600 -0.074 0.000 2.618 45 M HA 0.100 4.580 4.480 -0.000 0.000 0.240 45 M C 0.374 176.588 176.300 -0.142 0.000 1.123 45 M CA 0.086 55.284 55.300 -0.170 0.000 1.060 45 M CB -0.966 31.484 32.600 -0.250 0.000 1.535 45 M HN 0.456 nan 8.290 nan 0.000 0.507 46 A N 0.314 123.154 122.820 0.033 0.000 2.409 46 A HA 0.312 4.632 4.320 -0.000 0.000 0.262 46 A C -0.625 176.915 177.584 -0.073 0.000 1.113 46 A CA -0.260 51.800 52.037 0.040 0.000 0.790 46 A CB -0.319 18.733 19.000 0.087 0.000 1.046 46 A HN 0.494 nan 8.150 nan 0.000 0.496 47 H N 0.762 119.894 119.070 0.103 0.000 2.629 47 H HA 0.396 4.951 4.556 -0.000 0.000 0.357 47 H C 0.343 175.729 175.328 0.096 0.000 1.121 47 H CA 0.395 56.506 56.048 0.106 0.000 1.406 47 H CB 0.702 30.522 29.762 0.097 0.000 1.456 47 H HN 0.799 nan 8.280 nan 0.000 0.579 48 Q N 1.932 121.885 119.800 0.255 0.000 2.399 48 Q HA 0.182 4.522 4.340 -0.000 0.000 0.276 48 Q C -0.809 175.297 176.000 0.178 0.000 1.098 48 Q CA -1.318 54.594 55.803 0.182 0.000 0.827 48 Q CB 1.567 30.410 28.738 0.175 0.000 1.386 48 Q HN 0.784 nan 8.270 nan 0.000 0.443 49 E N 1.601 121.868 120.200 0.112 0.000 2.415 49 E HA -0.131 4.219 4.350 -0.000 0.000 0.263 49 E C 0.643 177.272 176.600 0.047 0.000 0.995 49 E CA 0.231 56.669 56.400 0.063 0.000 0.915 49 E CB 0.882 30.600 29.700 0.030 0.000 0.951 49 E HN 0.700 nan 8.360 nan 0.000 0.449 50 Q N 3.348 123.115 119.800 -0.055 0.000 2.096 50 Q HA -0.230 4.110 4.340 -0.000 0.000 0.208 50 Q C 1.798 177.644 176.000 -0.256 0.000 0.993 50 Q CA 2.218 57.814 55.803 -0.346 0.000 0.862 50 Q CB -0.594 27.763 28.738 -0.636 0.000 0.915 50 Q HN 0.894 nan 8.270 nan 0.000 0.416 51 G N 0.224 108.935 108.800 -0.148 0.000 2.440 51 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.218 51 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.218 51 G C 1.270 176.157 174.900 -0.021 0.000 1.154 51 G CA 0.881 45.929 45.100 -0.086 0.000 0.767 51 G HN 0.422 nan 8.290 nan 0.000 0.552 52 Q N -0.565 119.244 119.800 0.014 0.000 2.083 52 Q HA -0.064 4.276 4.340 -0.000 0.000 0.198 52 Q C 2.820 178.870 176.000 0.083 0.000 0.969 52 Q CA 0.994 56.827 55.803 0.051 0.000 0.838 52 Q CB -0.090 28.685 28.738 0.063 0.000 0.900 52 Q HN 0.583 nan 8.270 nan 0.000 0.436 53 Q N 0.030 119.906 119.800 0.126 0.000 2.050 53 Q HA -0.257 4.083 4.340 -0.000 0.000 0.202 53 Q C 2.103 178.203 176.000 0.166 0.000 0.980 53 Q CA 1.490 57.407 55.803 0.190 0.000 0.840 53 Q CB -0.101 28.844 28.738 0.344 0.000 0.898 53 Q HN 0.219 nan 8.270 nan 0.000 0.424 54 Q N 1.128 121.015 119.800 0.146 0.000 2.077 54 Q HA -0.241 4.099 4.340 -0.000 0.000 0.206 54 Q C 1.838 177.881 176.000 0.071 0.000 0.989 54 Q CA 1.986 57.850 55.803 0.102 0.000 0.853 54 Q CB -0.158 28.587 28.738 0.011 0.000 0.907 54 Q HN 0.369 nan 8.270 nan 0.000 0.418 55 Q N -0.741 119.093 119.800 0.057 0.000 2.030 55 Q HA -0.162 4.178 4.340 -0.000 0.000 0.204 55 Q C 2.100 178.142 176.000 0.070 0.000 0.986 55 Q CA 1.610 57.447 55.803 0.057 0.000 0.843 55 Q CB -0.391 28.374 28.738 0.045 0.000 0.904 55 Q HN 0.534 nan 8.270 nan 0.000 0.420 56 A N 0.864 123.728 122.820 0.073 0.000 1.883 56 A HA -0.182 4.137 4.320 -0.000 0.000 0.217 56 A C 2.101 179.725 177.584 0.067 0.000 1.186 56 A CA 1.277 53.358 52.037 0.072 0.000 0.624 56 A CB -0.789 18.259 19.000 0.080 0.000 0.822 56 A HN 0.294 nan 8.150 nan 0.000 0.444 57 L N -0.848 120.414 121.223 0.065 0.000 2.046 57 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 57 L C 3.114 179.996 176.870 0.020 0.000 1.077 57 L CA 1.084 55.944 54.840 0.034 0.000 0.747 57 L CB -0.590 41.484 42.059 0.025 0.000 0.896 57 L HN 0.442 nan 8.230 nan 0.000 0.432 58 A N -0.013 122.832 122.820 0.043 0.000 1.902 58 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 58 A C 2.449 180.119 177.584 0.144 0.000 1.181 58 A CA 1.792 53.861 52.037 0.053 0.000 0.623 58 A CB -0.595 18.477 19.000 0.120 0.000 0.818 58 A HN 0.345 nan 8.150 nan 0.000 0.443 59 R N -0.464 120.126 120.500 0.150 0.000 2.096 59 R HA -0.091 4.249 4.340 -0.000 0.000 0.235 59 R C 2.295 178.677 176.300 0.137 0.000 1.127 59 R CA 1.349 57.547 56.100 0.164 0.000 0.968 59 R CB -0.374 29.980 30.300 0.089 0.000 0.861 59 R HN 0.454 nan 8.270 nan 0.000 0.440 60 A N 0.230 123.102 122.820 0.087 0.000 1.877 60 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 60 A C 2.245 179.893 177.584 0.106 0.000 1.186 60 A CA 1.566 53.649 52.037 0.076 0.000 0.620 60 A CB -0.562 18.463 19.000 0.041 0.000 0.822 60 A HN 0.217 nan 8.150 nan 0.000 0.443 61 V N -1.472 118.474 119.914 0.053 0.000 2.295 61 V HA -0.303 3.817 4.120 -0.000 0.000 0.246 61 V C 2.354 178.505 176.094 0.096 0.000 1.049 61 V CA 2.035 64.363 62.300 0.047 0.000 1.024 61 V CB -1.086 30.643 31.823 -0.157 0.000 0.648 61 V HN 0.691 nan 8.190 nan 0.000 0.447 62 Y N 0.229 120.602 120.300 0.122 0.000 2.274 62 Y HA -0.167 4.383 4.550 -0.000 0.000 0.290 62 Y C 2.517 178.472 175.900 0.091 0.000 1.145 62 Y CA 1.004 59.161 58.100 0.095 0.000 1.203 62 Y CB -0.394 38.099 38.460 0.055 0.000 0.984 62 Y HN 0.226 nan 8.280 nan 0.000 0.533 63 A N -0.497 122.472 122.820 0.248 0.000 1.933 63 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 63 A C 1.943 179.643 177.584 0.194 0.000 1.175 63 A CA 1.664 53.808 52.037 0.178 0.000 0.628 63 A CB -1.162 17.917 19.000 0.132 0.000 0.814 63 A HN 0.591 nan 8.150 nan 0.000 0.444 64 Y N 0.649 121.002 120.300 0.089 0.000 2.133 64 Y HA -0.037 4.513 4.550 -0.000 0.000 0.287 64 Y C 2.686 178.621 175.900 0.059 0.000 1.134 64 Y CA 1.063 59.204 58.100 0.069 0.000 1.133 64 Y CB -0.884 37.635 38.460 0.098 0.000 0.987 64 Y HN 0.291 nan 8.280 nan 0.000 0.502 65 A N 0.301 123.106 122.820 -0.025 0.000 1.940 65 A HA -0.224 4.096 4.320 -0.000 0.000 0.219 65 A C 2.086 179.619 177.584 -0.084 0.000 1.176 65 A CA 2.003 53.968 52.037 -0.120 0.000 0.631 65 A CB -0.750 18.293 19.000 0.071 0.000 0.814 65 A HN 0.658 nan 8.150 nan 0.000 0.446 66 E N -0.288 119.921 120.200 0.014 0.000 2.150 66 E HA -0.101 4.249 4.350 -0.000 0.000 0.193 66 E C 0.691 177.269 176.600 -0.036 0.000 0.985 66 E CA 0.975 57.379 56.400 0.006 0.000 0.814 66 E CB -0.074 29.655 29.700 0.049 0.000 0.752 66 E HN 0.575 nan 8.360 nan 0.000 0.466 67 N N 0.360 119.031 118.700 -0.048 0.000 2.187 67 N HA 0.088 4.828 4.740 -0.000 0.000 0.212 67 N C 1.306 176.752 175.510 -0.106 0.000 1.152 67 N CA 0.028 53.046 53.050 -0.052 0.000 0.872 67 N CB 0.699 39.189 38.487 0.006 0.000 1.025 67 N HN 0.161 nan 8.380 nan 0.000 0.514 68 I N 1.040 121.478 120.570 -0.219 0.000 2.493 68 I HA -0.152 4.018 4.170 -0.000 0.000 0.254 68 I C 1.338 177.354 176.117 -0.168 0.000 1.160 68 I CA 1.292 62.418 61.300 -0.290 0.000 1.445 68 I CB 0.372 38.062 38.000 -0.517 0.000 1.086 68 I HN -0.023 nan 8.210 nan 0.000 0.433 69 E N -0.043 120.078 120.200 -0.131 0.000 2.474 69 E HA -0.030 4.320 4.350 -0.000 0.000 0.194 69 E C -0.132 176.421 176.600 -0.079 0.000 1.041 69 E CA 0.257 56.599 56.400 -0.097 0.000 0.874 69 E CB 0.032 29.680 29.700 -0.088 0.000 0.914 69 E HN 0.368 nan 8.360 nan 0.000 0.498 70 D N 1.145 121.499 120.400 -0.077 0.000 2.458 70 D HA 0.101 4.741 4.640 -0.000 0.000 0.258 70 D C -1.607 174.661 176.300 -0.053 0.000 1.134 70 D CA -2.407 51.551 54.000 -0.070 0.000 0.915 70 D CB 1.253 42.002 40.800 -0.085 0.000 1.028 70 D HN -0.192 nan 8.370 nan 0.000 0.508 71 P HA -0.193 nan 4.420 nan 0.000 0.216 71 P C 1.079 178.364 177.300 -0.024 0.000 1.150 71 P CA 0.909 63.992 63.100 -0.028 0.000 0.843 71 P CB 0.573 32.255 31.700 -0.028 0.000 0.787 72 N N -0.365 118.314 118.700 -0.034 0.000 2.120 72 N HA -0.092 4.647 4.740 -0.000 0.000 0.188 72 N C 1.897 177.392 175.510 -0.025 0.000 1.024 72 N CA 1.600 54.633 53.050 -0.029 0.000 0.852 72 N CB -0.380 38.082 38.487 -0.041 0.000 1.003 72 N HN -0.015 nan 8.380 nan 0.000 0.424 73 S N -0.191 115.485 115.700 -0.040 0.000 2.414 73 S HA -0.006 4.463 4.470 -0.000 0.000 0.227 73 S C 1.654 176.257 174.600 0.004 0.000 1.022 73 S CA 0.228 58.413 58.200 -0.025 0.000 0.958 73 S CB -0.206 62.965 63.200 -0.049 0.000 0.797 73 S HN 0.277 nan 8.310 nan 0.000 0.493 74 L N 1.772 122.998 121.223 0.005 0.000 2.046 74 L HA 0.016 4.356 4.340 -0.000 0.000 0.208 74 L C 2.027 178.912 176.870 0.025 0.000 1.077 74 L CA 1.738 56.598 54.840 0.033 0.000 0.747 74 L CB -0.608 41.476 42.059 0.041 0.000 0.896 74 L HN 0.199 nan 8.230 nan 0.000 0.432 75 M N -0.654 118.951 119.600 0.008 0.000 2.159 75 M HA -0.119 4.361 4.480 -0.000 0.000 0.263 75 M C 2.411 178.713 176.300 0.002 0.000 1.063 75 M CA 1.640 56.939 55.300 -0.001 0.000 1.110 75 M CB -1.761 30.836 32.600 -0.006 0.000 1.374 75 M HN 0.434 nan 8.290 nan 0.000 0.411 76 A N 0.673 123.500 122.820 0.011 0.000 1.865 76 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 76 A C 2.291 179.888 177.584 0.021 0.000 1.191 76 A CA 2.483 54.533 52.037 0.021 0.000 0.623 76 A CB -1.227 17.787 19.000 0.023 0.000 0.826 76 A HN 0.408 nan 8.150 nan 0.000 0.444 77 V N -2.061 117.869 119.914 0.026 0.000 2.626 77 V HA -0.118 4.002 4.120 -0.000 0.000 0.252 77 V C 2.167 178.254 176.094 -0.012 0.000 1.067 77 V CA 1.845 64.158 62.300 0.022 0.000 1.081 77 V CB -0.881 30.971 31.823 0.048 0.000 0.686 77 V HN 0.441 nan 8.190 nan 0.000 0.468 78 L N 0.909 122.122 121.223 -0.017 0.000 2.240 78 L HA -0.042 4.298 4.340 -0.000 0.000 0.211 78 L C 2.806 179.628 176.870 -0.079 0.000 1.106 78 L CA 1.828 56.636 54.840 -0.053 0.000 0.793 78 L CB -0.571 41.461 42.059 -0.045 0.000 0.927 78 L HN 0.499 nan 8.230 nan 0.000 0.446 79 K N 0.015 120.385 120.400 -0.050 0.000 2.283 79 K HA -0.197 4.123 4.320 -0.000 0.000 0.202 79 K C 1.597 178.163 176.600 -0.057 0.000 1.048 79 K CA 1.696 57.952 56.287 -0.052 0.000 0.948 79 K CB -0.215 32.275 32.500 -0.016 0.000 0.742 79 K HN 0.163 nan 8.250 nan 0.000 0.458 80 N N 1.029 119.697 118.700 -0.054 0.000 2.216 80 N HA -0.022 4.718 4.740 -0.000 0.000 0.183 80 N C 1.688 177.138 175.510 -0.100 0.000 1.017 80 N CA 1.058 54.075 53.050 -0.054 0.000 0.861 80 N CB 0.015 38.449 38.487 -0.088 0.000 0.986 80 N HN 0.222 nan 8.380 nan 0.000 0.428 81 I N 0.079 120.552 120.570 -0.162 0.000 2.252 81 I HA -0.179 3.991 4.170 -0.000 0.000 0.245 81 I C 2.290 178.135 176.117 -0.454 0.000 1.102 81 I CA 0.894 62.017 61.300 -0.296 0.000 1.385 81 I CB -0.434 37.381 38.000 -0.309 0.000 1.064 81 I HN 0.173 nan 8.210 nan 0.000 0.414 82 A N 1.097 123.722 122.820 -0.325 0.000 1.908 82 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 82 A C 2.135 179.560 177.584 -0.265 0.000 1.181 82 A CA 1.949 53.815 52.037 -0.286 0.000 0.627 82 A CB -0.811 18.073 19.000 -0.193 0.000 0.818 82 A HN 0.451 nan 8.150 nan 0.000 0.445 83 N N -0.467 118.120 118.700 -0.188 0.000 2.120 83 N HA -0.178 4.562 4.740 -0.000 0.000 0.188 83 N C 1.813 177.277 175.510 -0.076 0.000 1.024 83 N CA 1.714 54.669 53.050 -0.157 0.000 0.852 83 N CB -0.169 38.323 38.487 0.008 0.000 1.003 83 N HN 0.460 nan 8.380 nan 0.000 0.424 84 K N 1.062 121.467 120.400 0.008 0.000 2.057 84 K HA -0.086 4.234 4.320 -0.000 0.000 0.207 84 K C 1.778 178.429 176.600 0.086 0.000 1.049 84 K CA 1.428 57.769 56.287 0.089 0.000 0.931 84 K CB -0.408 32.100 32.500 0.013 0.000 0.714 84 K HN 0.418 nan 8.250 nan 0.000 0.440 85 H N -1.132 117.880 119.070 -0.097 0.000 2.353 85 H HA -0.049 4.507 4.556 -0.000 0.000 0.300 85 H C 1.812 177.035 175.328 -0.174 0.000 1.090 85 H CA 0.702 56.684 56.048 -0.110 0.000 1.327 85 H CB 0.065 29.775 29.762 -0.086 0.000 1.383 85 H HN 0.364 nan 8.280 nan 0.000 0.508 86 A N 0.284 122.932 122.820 -0.285 0.000 1.908 86 A HA -0.222 4.097 4.320 -0.000 0.000 0.218 86 A C 2.499 179.876 177.584 -0.345 0.000 1.181 86 A CA 1.830 53.482 52.037 -0.643 0.000 0.627 86 A CB -0.766 17.315 19.000 -1.532 0.000 0.818 86 A HN 0.363 nan 8.150 nan 0.000 0.445 87 S N -0.663 114.905 115.700 -0.220 0.000 2.368 87 S HA -0.056 4.414 4.470 -0.000 0.000 0.225 87 S C 1.804 176.455 174.600 0.086 0.000 1.030 87 S CA 1.381 59.666 58.200 0.142 0.000 0.999 87 S CB -0.416 63.003 63.200 0.365 0.000 0.844 87 S HN 0.489 nan 8.310 nan 0.000 0.459 88 L N 0.429 121.698 121.223 0.078 0.000 2.395 88 L HA 0.190 4.529 4.340 -0.000 0.000 0.218 88 L C 1.660 178.555 176.870 0.042 0.000 1.130 88 L CA 0.579 55.480 54.840 0.102 0.000 0.826 88 L CB -0.449 41.635 42.059 0.041 0.000 0.941 88 L HN 0.569 nan 8.230 nan 0.000 0.451 89 G N 0.153 108.947 108.800 -0.011 0.000 2.142 89 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.225 89 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.225 89 G C 0.148 175.075 174.900 0.046 0.000 1.015 89 G CA -0.068 45.014 45.100 -0.030 0.000 0.716 89 G HN 0.059 nan 8.290 nan 0.000 0.508 90 V N 0.074 120.023 119.914 0.059 0.000 2.599 90 V HA 0.307 4.426 4.120 -0.000 0.000 0.300 90 V C 0.866 177.040 176.094 0.134 0.000 1.034 90 V CA 0.648 62.939 62.300 -0.016 0.000 1.115 90 V CB 1.094 32.778 31.823 -0.232 0.000 0.934 90 V HN 0.427 nan 8.190 nan 0.000 0.485 91 K N 5.845 126.301 120.400 0.093 0.000 2.156 91 K HA 0.417 4.737 4.320 -0.000 0.000 0.254 91 K C -1.858 174.888 176.600 0.244 0.000 0.950 91 K CA -1.677 54.699 56.287 0.148 0.000 0.849 91 K CB 1.489 34.031 32.500 0.070 0.000 1.100 91 K HN 0.209 nan 8.250 nan 0.000 0.434 92 P HA -0.261 nan 4.420 nan 0.000 0.216 92 P C 0.582 178.037 177.300 0.257 0.000 1.150 92 P CA 1.260 64.508 63.100 0.246 0.000 0.843 92 P CB 0.224 31.988 31.700 0.107 0.000 0.787 93 E N 0.096 120.393 120.200 0.161 0.000 2.409 93 E HA -0.196 4.154 4.350 -0.000 0.000 0.198 93 E C 1.441 178.111 176.600 0.117 0.000 1.024 93 E CA 1.030 57.504 56.400 0.123 0.000 0.861 93 E CB -0.767 28.980 29.700 0.078 0.000 0.788 93 E HN 0.443 nan 8.360 nan 0.000 0.521 94 Q N -0.504 119.370 119.800 0.123 0.000 2.398 94 Q HA 0.010 4.350 4.340 -0.000 0.000 0.204 94 Q C 1.286 177.319 176.000 0.055 0.000 0.932 94 Q CA 0.452 56.279 55.803 0.040 0.000 0.916 94 Q CB -0.118 28.602 28.738 -0.030 0.000 1.024 94 Q HN 0.305 nan 8.270 nan 0.000 0.504 95 Y N 0.755 121.117 120.300 0.104 0.000 2.181 95 Y HA -0.154 4.396 4.550 -0.000 0.000 0.288 95 Y C -0.597 175.450 175.900 0.246 0.000 1.146 95 Y CA 1.246 59.459 58.100 0.190 0.000 1.164 95 Y CB -1.247 37.290 38.460 0.128 0.000 0.982 95 Y HN 0.184 nan 8.280 nan 0.000 0.515 96 P HA -0.161 nan 4.420 nan 0.000 0.216 96 P C 1.451 178.804 177.300 0.089 0.000 1.153 96 P CA 1.610 64.818 63.100 0.180 0.000 0.848 96 P CB -0.034 31.742 31.700 0.126 0.000 0.787 97 I N -1.186 119.427 120.570 0.073 0.000 2.179 97 I HA -0.213 3.957 4.170 -0.000 0.000 0.242 97 I C 2.158 178.363 176.117 0.146 0.000 1.088 97 I CA 1.409 62.741 61.300 0.054 0.000 1.357 97 I CB -0.823 37.120 38.000 -0.095 0.000 1.051 97 I HN -0.177 nan 8.210 nan 0.000 0.409 98 V N 1.098 121.111 119.914 0.165 0.000 2.343 98 V HA -0.213 3.907 4.120 -0.000 0.000 0.247 98 V C 2.593 178.692 176.094 0.009 0.000 1.051 98 V CA 2.168 64.623 62.300 0.258 0.000 1.036 98 V CB -1.396 30.592 31.823 0.275 0.000 0.654 98 V HN 0.586 nan 8.190 nan 0.000 0.451 99 G N -0.510 108.137 108.800 -0.256 0.000 2.446 99 G HA2 -0.317 3.642 3.960 -0.000 0.000 0.217 99 G HA3 -0.317 3.642 3.960 -0.000 0.000 0.217 99 G C 1.505 176.159 174.900 -0.410 0.000 1.168 99 G CA 1.041 45.629 45.100 -0.853 0.000 0.771 99 G HN 0.595 nan 8.290 nan 0.000 0.551 100 E N -0.159 119.901 120.200 -0.234 0.000 2.038 100 E HA -0.241 4.109 4.350 -0.000 0.000 0.195 100 E C 2.248 178.682 176.600 -0.276 0.000 1.000 100 E CA 1.176 57.416 56.400 -0.267 0.000 0.803 100 E CB -0.273 29.219 29.700 -0.346 0.000 0.750 100 E HN 0.556 nan 8.360 nan 0.000 0.448 101 H N -0.183 118.896 119.070 0.016 0.000 2.423 101 H HA -0.103 4.453 4.556 -0.000 0.000 0.297 101 H C 2.230 177.655 175.328 0.160 0.000 1.075 101 H CA 1.230 57.320 56.048 0.070 0.000 1.342 101 H CB -0.096 29.675 29.762 0.016 0.000 1.395 101 H HN 0.247 nan 8.280 nan 0.000 0.530 102 L N 0.855 122.169 121.223 0.152 0.000 2.056 102 L HA -0.084 4.256 4.340 -0.000 0.000 0.207 102 L C 2.249 179.022 176.870 -0.162 0.000 1.078 102 L CA 1.185 55.929 54.840 -0.160 0.000 0.749 102 L CB -0.687 41.069 42.059 -0.505 0.000 0.901 102 L HN 0.095 nan 8.230 nan 0.000 0.433 103 L N -0.715 120.406 121.223 -0.169 0.000 2.093 103 L HA -0.129 4.210 4.340 -0.000 0.000 0.208 103 L C 2.629 179.447 176.870 -0.087 0.000 1.085 103 L CA 1.003 55.768 54.840 -0.126 0.000 0.755 103 L CB -0.909 41.080 42.059 -0.117 0.000 0.904 103 L HN 0.357 nan 8.230 nan 0.000 0.435 104 A N 0.091 122.870 122.820 -0.068 0.000 1.930 104 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 104 A C 2.537 180.098 177.584 -0.039 0.000 1.175 104 A CA 1.563 53.573 52.037 -0.045 0.000 0.627 104 A CB -0.562 18.422 19.000 -0.025 0.000 0.815 104 A HN 0.378 nan 8.150 nan 0.000 0.443 105 A N 0.019 122.823 122.820 -0.027 0.000 1.898 105 A HA -0.038 4.282 4.320 -0.000 0.000 0.216 105 A C 2.101 179.626 177.584 -0.098 0.000 1.181 105 A CA 1.407 53.418 52.037 -0.044 0.000 0.620 105 A CB -0.570 18.424 19.000 -0.010 0.000 0.819 105 A HN 0.486 nan 8.150 nan 0.000 0.442 106 I N -0.590 119.901 120.570 -0.132 0.000 2.179 106 I HA -0.276 3.894 4.170 -0.000 0.000 0.242 106 I C 2.563 178.589 176.117 -0.151 0.000 1.088 106 I CA 1.911 63.105 61.300 -0.176 0.000 1.357 106 I CB -0.278 37.597 38.000 -0.209 0.000 1.051 106 I HN 0.362 nan 8.210 nan 0.000 0.409 107 K N 0.986 121.322 120.400 -0.107 0.000 2.057 107 K HA -0.264 4.056 4.320 -0.000 0.000 0.207 107 K C 2.139 178.687 176.600 -0.086 0.000 1.049 107 K CA 1.810 58.046 56.287 -0.085 0.000 0.931 107 K CB -0.070 32.396 32.500 -0.057 0.000 0.714 107 K HN 0.288 nan 8.250 nan 0.000 0.440 108 E N -0.100 120.053 120.200 -0.078 0.000 2.047 108 E HA -0.155 4.194 4.350 -0.000 0.000 0.191 108 E C 1.823 178.371 176.600 -0.087 0.000 0.987 108 E CA 1.338 57.697 56.400 -0.067 0.000 0.799 108 E CB 0.157 29.827 29.700 -0.049 0.000 0.752 108 E HN 0.138 nan 8.360 nan 0.000 0.449 109 V N 0.896 120.742 119.914 -0.114 0.000 2.379 109 V HA -0.210 3.910 4.120 -0.000 0.000 0.245 109 V C 2.318 178.256 176.094 -0.261 0.000 1.044 109 V CA 1.055 63.270 62.300 -0.143 0.000 1.036 109 V CB -0.324 31.422 31.823 -0.128 0.000 0.664 109 V HN 0.275 nan 8.190 nan 0.000 0.453 110 L N 0.233 121.274 121.223 -0.302 0.000 2.291 110 L HA 0.186 4.526 4.340 -0.000 0.000 0.214 110 L C 1.863 178.608 176.870 -0.208 0.000 1.120 110 L CA 1.701 56.323 54.840 -0.363 0.000 0.799 110 L CB -1.332 40.558 42.059 -0.282 0.000 0.925 110 L HN 0.479 nan 8.230 nan 0.000 0.446 111 G N -0.192 108.525 108.800 -0.138 0.000 2.665 111 G HA2 -0.497 3.463 3.960 -0.000 0.000 0.326 111 G HA3 -0.497 3.463 3.960 -0.000 0.000 0.326 111 G C 1.244 176.106 174.900 -0.063 0.000 1.231 111 G CA 0.680 45.731 45.100 -0.082 0.000 0.992 111 G HN 0.319 nan 8.290 nan 0.000 0.549 112 N N 1.394 120.067 118.700 -0.046 0.000 2.104 112 N HA -0.078 4.662 4.740 -0.000 0.000 0.190 112 N C 2.534 178.027 175.510 -0.029 0.000 1.024 112 N CA 2.307 55.340 53.050 -0.029 0.000 0.853 112 N CB -0.781 37.696 38.487 -0.016 0.000 1.008 112 N HN 0.955 nan 8.380 nan 0.000 0.424 113 A N 0.746 123.540 122.820 -0.043 0.000 2.125 113 A HA 0.091 4.411 4.320 -0.000 0.000 0.219 113 A C 1.352 178.914 177.584 -0.035 0.000 1.156 113 A CA 1.107 53.123 52.037 -0.035 0.000 0.671 113 A CB -0.403 18.568 19.000 -0.048 0.000 0.794 113 A HN 0.293 nan 8.150 nan 0.000 0.459 114 A N 1.478 124.266 122.820 -0.053 0.000 3.037 114 A HA 0.471 4.791 4.320 -0.000 0.000 0.272 114 A C 0.929 178.506 177.584 -0.011 0.000 1.723 114 A CA 0.281 52.294 52.037 -0.040 0.000 1.413 114 A CB -1.353 17.606 19.000 -0.068 0.000 1.112 114 A HN 0.587 nan 8.150 nan 0.000 0.606 115 T N -1.589 112.971 114.554 0.009 0.000 2.726 115 T HA 0.142 4.492 4.350 -0.000 0.000 0.294 115 T C 0.553 175.267 174.700 0.024 0.000 1.013 115 T CA 0.124 62.233 62.100 0.016 0.000 0.996 115 T CB 0.547 69.429 68.868 0.023 0.000 1.016 115 T HN 0.366 nan 8.240 nan 0.000 0.529 116 D N 0.262 120.674 120.400 0.020 0.000 2.144 116 D HA -0.072 4.568 4.640 -0.000 0.000 0.199 116 D C 1.772 178.092 176.300 0.033 0.000 0.984 116 D CA 1.115 55.128 54.000 0.022 0.000 0.834 116 D CB -0.260 40.548 40.800 0.014 0.000 0.955 116 D HN 0.601 nan 8.370 nan 0.000 0.465 117 D N 0.135 120.555 120.400 0.033 0.000 2.178 117 D HA -0.047 4.593 4.640 -0.000 0.000 0.202 117 D C 2.284 178.622 176.300 0.064 0.000 0.974 117 D CA 0.311 54.332 54.000 0.036 0.000 0.841 117 D CB 0.078 40.893 40.800 0.026 0.000 0.953 117 D HN 0.301 nan 8.370 nan 0.000 0.478 118 I N 0.825 121.451 120.570 0.094 0.000 2.286 118 I HA -0.188 3.982 4.170 -0.000 0.000 0.245 118 I C 2.252 178.523 176.117 0.258 0.000 1.104 118 I CA 0.455 61.866 61.300 0.186 0.000 1.397 118 I CB 0.010 38.110 38.000 0.166 0.000 1.072 118 I HN -0.064 nan 8.210 nan 0.000 0.417 119 I N 0.532 121.192 120.570 0.149 0.000 2.226 119 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 119 I C 2.658 178.856 176.117 0.135 0.000 1.100 119 I CA 1.521 62.901 61.300 0.133 0.000 1.374 119 I CB -1.184 36.849 38.000 0.054 0.000 1.057 119 I HN 0.154 nan 8.210 nan 0.000 0.413 120 S N 1.019 116.771 115.700 0.088 0.000 2.383 120 S HA -0.089 4.381 4.470 -0.000 0.000 0.227 120 S C 2.242 176.873 174.600 0.052 0.000 1.026 120 S CA 1.211 59.446 58.200 0.060 0.000 0.981 120 S CB -0.252 62.968 63.200 0.033 0.000 0.818 120 S HN 0.541 nan 8.310 nan 0.000 0.472 121 A N 0.622 123.463 122.820 0.036 0.000 1.877 121 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 121 A C 1.796 179.301 177.584 -0.131 0.000 1.186 121 A CA 1.282 53.272 52.037 -0.078 0.000 0.620 121 A CB -1.009 17.903 19.000 -0.148 0.000 0.822 121 A HN 0.674 nan 8.150 nan 0.000 0.443 122 W N -0.439 120.888 121.300 0.044 0.000 2.519 122 W HA 0.162 4.822 4.660 -0.000 0.000 0.266 122 W C 2.611 179.173 176.519 0.071 0.000 1.253 122 W CA 0.854 58.235 57.345 0.060 0.000 1.274 122 W CB -0.048 29.429 29.460 0.028 0.000 1.114 122 W HN 0.395 nan 8.180 nan 0.000 0.596 123 A N -0.086 122.863 122.820 0.215 0.000 1.930 123 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 123 A C 1.897 179.573 177.584 0.153 0.000 1.175 123 A CA 1.419 53.552 52.037 0.160 0.000 0.627 123 A CB -0.572 18.484 19.000 0.093 0.000 0.815 123 A HN 0.375 nan 8.150 nan 0.000 0.443 124 Q N -0.659 119.193 119.800 0.087 0.000 2.083 124 Q HA -0.056 4.283 4.340 -0.000 0.000 0.198 124 Q C 2.480 178.511 176.000 0.051 0.000 0.969 124 Q CA 1.127 56.961 55.803 0.050 0.000 0.838 124 Q CB -0.363 28.377 28.738 0.002 0.000 0.900 124 Q HN 0.669 nan 8.270 nan 0.000 0.436 125 A N 0.659 123.503 122.820 0.041 0.000 1.865 125 A HA -0.258 4.062 4.320 -0.000 0.000 0.217 125 A C 1.936 179.542 177.584 0.038 0.000 1.191 125 A CA 1.626 53.692 52.037 0.048 0.000 0.623 125 A CB -1.087 17.927 19.000 0.024 0.000 0.826 125 A HN 0.504 nan 8.150 nan 0.000 0.444 126 Y N 0.739 121.055 120.300 0.027 0.000 2.128 126 Y HA -0.144 4.406 4.550 -0.000 0.000 0.284 126 Y C 2.518 178.433 175.900 0.026 0.000 1.154 126 Y CA 1.796 59.911 58.100 0.024 0.000 1.149 126 Y CB -0.794 37.698 38.460 0.053 0.000 0.976 126 Y HN 0.238 nan 8.280 nan 0.000 0.505 127 G N -0.451 108.425 108.800 0.126 0.000 2.442 127 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.219 127 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.219 127 G C 1.511 176.367 174.900 -0.072 0.000 1.141 127 G CA 1.119 46.244 45.100 0.043 0.000 0.763 127 G HN 0.490 nan 8.290 nan 0.000 0.554 128 N N 0.149 118.814 118.700 -0.058 0.000 2.106 128 N HA 0.010 4.750 4.740 -0.000 0.000 0.188 128 N C 2.249 177.690 175.510 -0.114 0.000 1.029 128 N CA 0.843 53.855 53.050 -0.064 0.000 0.848 128 N CB -0.276 38.199 38.487 -0.019 0.000 1.007 128 N HN 0.315 nan 8.380 nan 0.000 0.423 129 L N -0.204 120.922 121.223 -0.161 0.000 2.083 129 L HA -0.078 4.262 4.340 -0.000 0.000 0.209 129 L C 2.408 179.134 176.870 -0.240 0.000 1.083 129 L CA 1.145 55.868 54.840 -0.196 0.000 0.752 129 L CB -0.624 41.273 42.059 -0.270 0.000 0.899 129 L HN 0.246 nan 8.230 nan 0.000 0.433 130 A N -0.016 122.592 122.820 -0.353 0.000 1.877 130 A HA -0.280 4.040 4.320 -0.000 0.000 0.216 130 A C 1.999 179.315 177.584 -0.448 0.000 1.186 130 A CA 2.053 53.819 52.037 -0.450 0.000 0.620 130 A CB -0.613 18.140 19.000 -0.411 0.000 0.822 130 A HN 0.416 nan 8.150 nan 0.000 0.443 131 D N -0.225 120.012 120.400 -0.273 0.000 2.092 131 D HA -0.135 4.505 4.640 -0.000 0.000 0.193 131 D C 1.907 178.096 176.300 -0.185 0.000 0.994 131 D CA 1.792 55.671 54.000 -0.202 0.000 0.828 131 D CB -0.274 40.453 40.800 -0.121 0.000 0.963 131 D HN 0.148 nan 8.370 nan 0.000 0.450 132 V N 0.627 120.450 119.914 -0.152 0.000 2.295 132 V HA -0.221 3.898 4.120 -0.000 0.000 0.246 132 V C 2.812 178.827 176.094 -0.131 0.000 1.049 132 V CA 1.357 63.587 62.300 -0.116 0.000 1.024 132 V CB -0.566 31.207 31.823 -0.083 0.000 0.648 132 V HN 0.283 nan 8.190 nan 0.000 0.447 133 L N -1.201 119.931 121.223 -0.153 0.000 2.012 133 L HA -0.252 4.088 4.340 -0.000 0.000 0.210 133 L C 2.606 179.392 176.870 -0.141 0.000 1.073 133 L CA 1.885 56.658 54.840 -0.112 0.000 0.748 133 L CB -0.477 41.586 42.059 0.005 0.000 0.891 133 L HN 0.308 nan 8.230 nan 0.000 0.431 134 M N -0.662 118.761 119.600 -0.295 0.000 2.106 134 M HA -0.188 4.292 4.480 -0.000 0.000 0.259 134 M C 2.258 178.483 176.300 -0.125 0.000 1.068 134 M CA 2.015 57.165 55.300 -0.250 0.000 1.100 134 M CB -0.867 31.514 32.600 -0.364 0.000 1.351 134 M HN 0.405 nan 8.290 nan 0.000 0.404 135 G N -0.074 108.653 108.800 -0.122 0.000 2.404 135 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.215 135 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.215 135 G C 1.472 176.326 174.900 -0.078 0.000 1.174 135 G CA 0.584 45.636 45.100 -0.079 0.000 0.780 135 G HN 0.352 nan 8.290 nan 0.000 0.537 136 M N 0.129 119.673 119.600 -0.094 0.000 2.117 136 M HA -0.040 4.439 4.480 -0.000 0.000 0.262 136 M C 2.475 178.682 176.300 -0.154 0.000 1.065 136 M CA 1.499 56.738 55.300 -0.102 0.000 1.114 136 M CB -0.321 32.218 32.600 -0.102 0.000 1.361 136 M HN 0.244 nan 8.290 nan 0.000 0.408 137 E N -0.318 119.769 120.200 -0.189 0.000 2.106 137 E HA -0.154 4.196 4.350 -0.000 0.000 0.192 137 E C 2.136 178.511 176.600 -0.374 0.000 0.984 137 E CA 1.334 57.511 56.400 -0.371 0.000 0.806 137 E CB -0.069 29.467 29.700 -0.274 0.000 0.750 137 E HN 0.323 nan 8.360 nan 0.000 0.458 138 S N 0.352 115.990 115.700 -0.102 0.000 2.368 138 S HA -0.227 4.243 4.470 -0.000 0.000 0.225 138 S C 1.803 176.420 174.600 0.028 0.000 1.030 138 S CA 1.376 59.606 58.200 0.051 0.000 0.999 138 S CB -0.094 63.131 63.200 0.041 0.000 0.844 138 S HN 0.221 nan 8.310 nan 0.000 0.459 139 E N 0.430 120.613 120.200 -0.029 0.000 2.058 139 E HA -0.127 4.223 4.350 -0.000 0.000 0.194 139 E C 2.120 178.717 176.600 -0.005 0.000 0.997 139 E CA 1.444 57.837 56.400 -0.012 0.000 0.801 139 E CB -0.241 29.444 29.700 -0.026 0.000 0.746 139 E HN 0.476 nan 8.360 nan 0.000 0.450 140 L N -0.211 120.965 121.223 -0.079 0.000 2.012 140 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 140 L C 2.335 179.265 176.870 0.100 0.000 1.073 140 L CA 1.430 56.248 54.840 -0.037 0.000 0.748 140 L CB -0.600 41.314 42.059 -0.243 0.000 0.891 140 L HN 0.269 nan 8.230 nan 0.000 0.431 141 Y N 0.178 120.497 120.300 0.032 0.000 2.128 141 Y HA -0.296 4.254 4.550 -0.000 0.000 0.284 141 Y C 2.685 178.603 175.900 0.031 0.000 1.154 141 Y CA 1.038 59.160 58.100 0.038 0.000 1.149 141 Y CB -0.135 38.322 38.460 -0.005 0.000 0.976 141 Y HN 0.239 nan 8.280 nan 0.000 0.505 142 E N -0.170 120.144 120.200 0.190 0.000 2.077 142 E HA -0.242 4.108 4.350 -0.000 0.000 0.193 142 E C 2.177 178.822 176.600 0.075 0.000 0.989 142 E CA 0.967 57.431 56.400 0.106 0.000 0.800 142 E CB -0.125 29.620 29.700 0.076 0.000 0.746 142 E HN 0.163 nan 8.360 nan 0.000 0.452 143 R N 0.858 121.398 120.500 0.066 0.000 2.073 143 R HA -0.085 4.255 4.340 -0.000 0.000 0.234 143 R C 2.263 178.575 176.300 0.020 0.000 1.134 143 R CA 1.861 57.983 56.100 0.037 0.000 0.952 143 R CB -0.592 29.726 30.300 0.030 0.000 0.850 143 R HN -0.028 nan 8.270 nan 0.000 0.433 144 S N 0.202 115.915 115.700 0.023 0.000 2.353 144 S HA -0.152 4.318 4.470 -0.000 0.000 0.222 144 S C 2.000 176.586 174.600 -0.024 0.000 1.035 144 S CA 1.269 59.432 58.200 -0.061 0.000 1.025 144 S CB -0.614 62.515 63.200 -0.118 0.000 0.902 144 S HN 0.562 nan 8.310 nan 0.000 0.440 145 A N 2.068 124.907 122.820 0.031 0.000 1.917 145 A HA -0.208 4.111 4.320 -0.000 0.000 0.219 145 A C 1.908 179.527 177.584 0.058 0.000 1.182 145 A CA 1.802 53.874 52.037 0.059 0.000 0.633 145 A CB -0.618 18.421 19.000 0.066 0.000 0.819 145 A HN 0.781 nan 8.150 nan 0.000 0.448 146 E N -0.684 119.542 120.200 0.043 0.000 2.476 146 E HA 0.058 4.408 4.350 -0.000 0.000 0.191 146 E C -0.153 176.466 176.600 0.032 0.000 1.064 146 E CA -0.293 56.129 56.400 0.038 0.000 0.866 146 E CB 0.010 29.729 29.700 0.031 0.000 0.952 146 E HN 0.427 nan 8.360 nan 0.000 0.492 147 Q N 1.827 121.644 119.800 0.028 0.000 2.260 147 Q HA 0.299 4.639 4.340 -0.000 0.000 0.242 147 Q C -2.346 173.685 176.000 0.052 0.000 0.932 147 Q CA -2.753 53.065 55.803 0.024 0.000 0.891 147 Q CB 0.875 29.613 28.738 -0.002 0.000 1.222 147 Q HN 0.051 nan 8.270 nan 0.000 0.453 148 P HA 0.126 nan 4.420 nan 0.000 0.269 148 P C 0.312 177.668 177.300 0.094 0.000 1.252 148 P CA 0.645 63.779 63.100 0.057 0.000 0.780 148 P CB 0.299 32.021 31.700 0.036 0.000 0.829 149 G N 2.483 111.359 108.800 0.127 0.000 2.157 149 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.248 149 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.248 149 G C 0.586 175.708 174.900 0.369 0.000 0.979 149 G CA -0.274 44.947 45.100 0.201 0.000 0.650 149 G HN 0.834 nan 8.290 nan 0.000 0.529 150 G N -0.822 108.141 108.800 0.270 0.000 2.557 150 G HA2 0.732 4.692 3.960 -0.000 0.000 0.292 150 G HA3 0.732 4.692 3.960 -0.000 0.000 0.292 150 G C -0.183 174.973 174.900 0.427 0.000 1.237 150 G CA -0.068 45.174 45.100 0.237 0.000 0.978 150 G HN 1.669 nan 8.290 nan 0.000 0.498 151 W N -1.578 119.763 121.300 0.068 0.000 2.982 151 W HA 0.685 5.345 4.660 -0.000 0.000 0.344 151 W C -1.335 175.218 176.519 0.057 0.000 1.215 151 W CA -1.208 56.175 57.345 0.064 0.000 1.182 151 W CB 0.984 30.496 29.460 0.087 0.000 1.437 151 W HN 0.508 nan 8.180 nan 0.000 0.570 152 K N 1.810 122.329 120.400 0.199 0.000 2.208 152 K HA 0.672 4.991 4.320 -0.000 0.000 0.247 152 K C 0.425 177.092 176.600 0.112 0.000 0.953 152 K CA -0.206 56.098 56.287 0.028 0.000 0.837 152 K CB 1.647 34.117 32.500 -0.049 0.000 1.131 152 K HN 1.154 nan 8.250 nan 0.000 0.431 153 G N 1.327 110.068 108.800 -0.098 0.000 2.598 153 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.244 153 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.244 153 G C -1.228 173.637 174.900 -0.058 0.000 1.302 153 G CA -0.414 44.562 45.100 -0.208 0.000 0.903 153 G HN 0.598 nan 8.290 nan 0.000 0.575 154 W N 0.162 121.638 121.300 0.294 0.000 2.381 154 W HA 0.737 5.397 4.660 -0.000 0.000 0.329 154 W C 0.883 177.512 176.519 0.183 0.000 1.157 154 W CA -0.558 56.969 57.345 0.303 0.000 1.240 154 W CB 1.057 30.622 29.460 0.176 0.000 1.199 154 W HN 0.627 nan 8.180 nan 0.000 0.579 155 R N 1.100 121.808 120.500 0.347 0.000 2.575 155 R HA 0.388 4.728 4.340 -0.000 0.000 0.293 155 R C -0.772 175.630 176.300 0.171 0.000 0.983 155 R CA -0.503 55.547 56.100 -0.083 0.000 0.887 155 R CB 1.364 31.083 30.300 -0.968 0.000 1.184 155 R HN 0.429 nan 8.270 nan 0.000 0.445 156 T N 4.689 119.272 114.554 0.048 0.000 2.851 156 T HA 0.291 4.640 4.350 -0.000 0.000 0.298 156 T C -0.754 173.965 174.700 0.032 0.000 0.977 156 T CA 0.495 62.652 62.100 0.095 0.000 1.126 156 T CB 0.080 68.954 68.868 0.010 0.000 0.916 156 T HN 0.238 nan 8.240 nan 0.000 0.529 157 F N 1.517 121.455 119.950 -0.021 0.000 2.579 157 F HA 0.639 5.166 4.527 -0.000 0.000 0.324 157 F C -0.087 175.715 175.800 0.004 0.000 1.058 157 F CA -1.134 56.862 58.000 -0.007 0.000 0.944 157 F CB 1.639 40.668 39.000 0.048 0.000 1.245 157 F HN 0.178 nan 8.300 nan 0.000 0.477 158 V N 3.709 123.721 119.914 0.164 0.000 2.555 158 V HA 0.375 4.495 4.120 -0.000 0.000 0.302 158 V C -0.209 175.968 176.094 0.139 0.000 1.038 158 V CA -0.913 61.451 62.300 0.105 0.000 0.887 158 V CB 1.848 33.693 31.823 0.036 0.000 0.991 158 V HN 0.368 nan 8.190 nan 0.000 0.434 159 I N 5.278 125.923 120.570 0.125 0.000 2.421 159 I HA 0.273 4.443 4.170 -0.000 0.000 0.291 159 I C 1.301 177.475 176.117 0.096 0.000 1.089 159 I CA 0.173 61.560 61.300 0.144 0.000 1.354 159 I CB 0.593 38.694 38.000 0.169 0.000 1.413 159 I HN 0.674 nan 8.210 nan 0.000 0.513 160 R N 3.844 124.397 120.500 0.089 0.000 2.075 160 R HA 0.170 4.509 4.340 -0.000 0.000 0.220 160 R C 0.200 176.517 176.300 0.028 0.000 1.118 160 R CA 0.703 56.834 56.100 0.051 0.000 0.986 160 R CB 0.296 30.626 30.300 0.049 0.000 0.884 160 R HN 0.570 nan 8.270 nan 0.000 0.439 161 E N 0.279 120.493 120.200 0.024 0.000 2.340 161 E HA 0.313 4.663 4.350 -0.000 0.000 0.273 161 E C -1.185 175.365 176.600 -0.083 0.000 0.891 161 E CA -0.553 55.833 56.400 -0.024 0.000 0.757 161 E CB 2.846 32.532 29.700 -0.024 0.000 1.231 161 E HN -0.148 nan 8.360 nan 0.000 0.439 162 K N 1.967 122.268 120.400 -0.166 0.000 2.579 162 K HA 0.308 4.628 4.320 -0.000 0.000 0.250 162 K C -0.866 175.548 176.600 -0.310 0.000 0.952 162 K CA -0.461 55.603 56.287 -0.372 0.000 0.857 162 K CB 1.355 33.633 32.500 -0.371 0.000 1.123 162 K HN 0.309 nan 8.250 nan 0.000 0.433 163 R N 5.633 125.938 120.500 -0.325 0.000 2.337 163 R HA 0.374 4.714 4.340 -0.000 0.000 0.319 163 R C -2.726 173.445 176.300 -0.215 0.000 0.954 163 R CA -1.856 54.117 56.100 -0.211 0.000 0.840 163 R CB 1.349 31.569 30.300 -0.133 0.000 1.164 163 R HN 0.359 nan 8.270 nan 0.000 0.472 164 P HA 0.052 nan 4.420 nan 0.000 0.271 164 P C -0.160 177.098 177.300 -0.071 0.000 1.220 164 P CA -0.021 63.004 63.100 -0.124 0.000 0.768 164 P CB 1.003 32.652 31.700 -0.085 0.000 0.848 165 E N 0.770 120.946 120.200 -0.040 0.000 2.244 165 E HA 0.063 4.413 4.350 -0.000 0.000 0.196 165 E C 0.771 177.373 176.600 0.003 0.000 0.939 165 E CA 0.803 57.193 56.400 -0.016 0.000 0.884 165 E CB 0.260 29.959 29.700 -0.002 0.000 0.850 165 E HN 0.582 nan 8.360 nan 0.000 0.481 166 S N 0.263 115.975 115.700 0.021 0.000 2.800 166 S HA 0.113 4.583 4.470 -0.000 0.000 0.293 166 S C 0.238 174.862 174.600 0.040 0.000 1.209 166 S CA -0.228 57.988 58.200 0.027 0.000 0.884 166 S CB 0.853 64.073 63.200 0.034 0.000 1.244 166 S HN -0.033 nan 8.310 nan 0.000 0.540 167 D N 0.405 120.827 120.400 0.036 0.000 2.348 167 D HA -0.059 4.581 4.640 -0.000 0.000 0.216 167 D C 1.530 177.862 176.300 0.052 0.000 0.970 167 D CA 1.442 55.465 54.000 0.038 0.000 0.889 167 D CB -0.281 40.532 40.800 0.022 0.000 0.912 167 D HN 0.715 nan 8.370 nan 0.000 0.524 168 V N -3.016 116.939 119.914 0.068 0.000 3.485 168 V HA 0.380 4.500 4.120 -0.000 0.000 0.280 168 V C 0.748 176.944 176.094 0.170 0.000 1.495 168 V CA -0.558 61.781 62.300 0.065 0.000 1.018 168 V CB 0.062 31.901 31.823 0.027 0.000 0.818 168 V HN -0.055 nan 8.190 nan 0.000 0.436 169 I N 1.451 122.129 120.570 0.180 0.000 2.404 169 I HA 0.661 4.831 4.170 -0.000 0.000 0.293 169 I C -0.359 175.836 176.117 0.130 0.000 0.992 169 I CA -0.137 61.283 61.300 0.199 0.000 1.149 169 I CB 2.085 40.152 38.000 0.112 0.000 1.315 169 I HN 0.038 nan 8.210 nan 0.000 0.446 170 T N 3.538 118.125 114.554 0.054 0.000 2.886 170 T HA 0.357 4.706 4.350 -0.000 0.000 0.292 170 T C -0.517 174.061 174.700 -0.203 0.000 1.012 170 T CA -0.552 61.412 62.100 -0.227 0.000 0.982 170 T CB 1.859 70.337 68.868 -0.649 0.000 1.018 170 T HN 0.452 nan 8.240 nan 0.000 0.451 171 S N 1.755 117.292 115.700 -0.271 0.000 2.525 171 S HA 0.732 5.202 4.470 -0.000 0.000 0.290 171 S C -1.099 173.293 174.600 -0.346 0.000 1.152 171 S CA -0.596 57.517 58.200 -0.145 0.000 1.072 171 S CB 0.314 63.475 63.200 -0.065 0.000 1.027 171 S HN 0.483 nan 8.310 nan 0.000 0.500 172 F N 1.968 121.876 119.950 -0.069 0.000 2.477 172 F HA 0.519 5.046 4.527 -0.000 0.000 0.335 172 F C -0.441 175.358 175.800 -0.001 0.000 1.130 172 F CA -0.892 57.077 58.000 -0.052 0.000 0.948 172 F CB 0.834 39.785 39.000 -0.081 0.000 1.154 172 F HN 0.261 nan 8.300 nan 0.000 0.439 173 I N 4.804 125.464 120.570 0.151 0.000 2.315 173 I HA 0.366 4.536 4.170 -0.000 0.000 0.291 173 I C -0.482 175.742 176.117 0.178 0.000 1.006 173 I CA -0.371 61.014 61.300 0.142 0.000 1.265 173 I CB 0.823 38.873 38.000 0.085 0.000 1.387 173 I HN 0.375 nan 8.210 nan 0.000 0.475 174 L N 6.450 127.805 121.223 0.221 0.000 2.346 174 L HA 0.642 4.982 4.340 -0.000 0.000 0.274 174 L C -0.188 176.898 176.870 0.359 0.000 1.007 174 L CA -0.590 54.428 54.840 0.296 0.000 0.818 174 L CB 1.592 43.828 42.059 0.295 0.000 1.284 174 L HN 0.516 nan 8.230 nan 0.000 0.424 175 E N 3.104 123.493 120.200 0.316 0.000 2.293 175 E HA 0.378 4.728 4.350 -0.000 0.000 0.270 175 E C -2.593 173.887 176.600 -0.200 0.000 0.879 175 E CA -1.961 54.500 56.400 0.101 0.000 0.756 175 E CB 2.757 32.462 29.700 0.007 0.000 1.208 175 E HN 0.283 nan 8.360 nan 0.000 0.428 176 P HA -0.042 nan 4.420 nan 0.000 0.268 176 P C -0.029 176.990 177.300 -0.470 0.000 1.205 176 P CA 0.238 62.707 63.100 -1.050 0.000 0.771 176 P CB 1.156 32.268 31.700 -0.980 0.000 0.858 177 A N 3.391 125.984 122.820 -0.378 0.000 2.067 177 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 177 A C 1.447 178.925 177.584 -0.176 0.000 1.158 177 A CA 1.640 53.559 52.037 -0.198 0.000 0.661 177 A CB -0.907 18.012 19.000 -0.134 0.000 0.801 177 A HN 0.625 nan 8.150 nan 0.000 0.452 178 D N -1.854 118.412 120.400 -0.224 0.000 2.339 178 D HA 0.206 4.845 4.640 -0.000 0.000 0.217 178 D C 1.166 177.376 176.300 -0.150 0.000 1.050 178 D CA 0.688 54.589 54.000 -0.164 0.000 0.856 178 D CB -0.813 39.889 40.800 -0.164 0.000 0.922 178 D HN 0.604 nan 8.370 nan 0.000 0.518 179 G N -0.020 108.675 108.800 -0.176 0.000 2.212 179 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.267 179 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.267 179 G C 0.647 175.475 174.900 -0.120 0.000 1.002 179 G CA 0.444 45.462 45.100 -0.137 0.000 0.729 179 G HN 0.791 nan 8.290 nan 0.000 0.517 180 G N -0.537 108.177 108.800 -0.142 0.000 2.537 180 G HA2 0.697 4.657 3.960 -0.000 0.000 0.297 180 G HA3 0.697 4.657 3.960 -0.000 0.000 0.297 180 G C -2.004 172.844 174.900 -0.088 0.000 1.310 180 G CA -0.947 44.094 45.100 -0.097 0.000 1.027 180 G HN 0.241 nan 8.290 nan 0.000 0.505 181 P HA 0.296 nan 4.420 nan 0.000 0.272 181 P C -0.307 177.012 177.300 0.032 0.000 1.230 181 P CA -0.298 62.798 63.100 -0.007 0.000 0.788 181 P CB 1.173 32.884 31.700 0.019 0.000 0.949 182 V N 0.291 120.238 119.914 0.055 0.000 2.555 182 V HA 0.453 4.573 4.120 -0.000 0.000 0.302 182 V C 0.012 176.264 176.094 0.263 0.000 1.038 182 V CA -1.113 61.300 62.300 0.188 0.000 0.887 182 V CB 1.615 33.408 31.823 -0.050 0.000 0.991 182 V HN 0.382 nan 8.190 nan 0.000 0.434 183 V N 4.851 125.015 119.914 0.417 0.000 2.872 183 V HA 0.160 4.280 4.120 -0.000 0.000 0.307 183 V C 0.882 177.158 176.094 0.304 0.000 1.072 183 V CA 0.352 62.814 62.300 0.269 0.000 1.148 183 V CB 0.320 32.235 31.823 0.153 0.000 0.954 183 V HN 1.129 nan 8.190 nan 0.000 0.490 184 N N 4.180 122.964 118.700 0.140 0.000 2.326 184 N HA 0.478 5.217 4.740 -0.000 0.000 0.239 184 N C -0.915 174.647 175.510 0.088 0.000 1.301 184 N CA 0.256 53.337 53.050 0.053 0.000 0.909 184 N CB 0.561 38.997 38.487 -0.085 0.000 1.156 184 N HN 0.651 nan 8.380 nan 0.000 0.462 185 F N -2.036 117.910 119.950 -0.006 0.000 2.685 185 F HA 0.569 5.096 4.527 -0.000 0.000 0.315 185 F C -1.190 174.537 175.800 -0.121 0.000 1.126 185 F CA -1.199 56.739 58.000 -0.104 0.000 0.950 185 F CB 1.093 40.032 39.000 -0.101 0.000 1.360 185 F HN 0.104 nan 8.300 nan 0.000 0.469 186 E N 1.257 121.463 120.200 0.010 0.000 2.183 186 E HA 0.404 4.754 4.350 -0.000 0.000 0.271 186 E C -2.795 173.895 176.600 0.150 0.000 0.919 186 E CA -2.348 53.990 56.400 -0.104 0.000 0.781 186 E CB 1.691 31.145 29.700 -0.408 0.000 1.140 186 E HN 0.325 nan 8.360 nan 0.000 0.402 187 P HA 0.030 nan 4.420 nan 0.000 0.261 187 P C 0.697 178.049 177.300 0.086 0.000 1.183 187 P CA 1.099 64.353 63.100 0.257 0.000 0.761 187 P CB 0.441 32.258 31.700 0.195 0.000 0.785 188 G N 1.803 110.693 108.800 0.150 0.000 2.352 188 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.204 188 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.204 188 G C 0.146 175.182 174.900 0.226 0.000 1.004 188 G CA -0.470 44.554 45.100 -0.126 0.000 0.648 188 G HN 0.528 nan 8.290 nan 0.000 0.491 189 Q N -0.061 119.844 119.800 0.175 0.000 2.382 189 Q HA 0.592 4.932 4.340 -0.000 0.000 0.229 189 Q C -0.007 176.012 176.000 0.032 0.000 1.006 189 Q CA -0.027 55.799 55.803 0.039 0.000 0.916 189 Q CB 0.743 29.435 28.738 -0.077 0.000 1.235 189 Q HN 0.737 nan 8.270 nan 0.000 0.512 190 Y N -2.913 117.396 120.300 0.015 0.000 2.669 190 Y HA 0.771 5.321 4.550 -0.000 0.000 0.335 190 Y C -0.470 175.379 175.900 -0.085 0.000 1.116 190 Y CA -1.182 56.900 58.100 -0.029 0.000 1.081 190 Y CB 1.357 39.840 38.460 0.038 0.000 1.297 190 Y HN 0.524 nan 8.280 nan 0.000 0.484 191 T N -0.224 114.414 114.554 0.139 0.000 2.907 191 T HA 0.708 5.058 4.350 -0.000 0.000 0.290 191 T C -1.193 173.671 174.700 0.273 0.000 1.066 191 T CA -0.612 61.537 62.100 0.082 0.000 1.012 191 T CB 1.331 70.138 68.868 -0.101 0.000 1.184 191 T HN 0.742 nan 8.240 nan 0.000 0.522 192 S N 0.980 116.862 115.700 0.303 0.000 2.500 192 S HA 0.670 5.140 4.470 -0.000 0.000 0.301 192 S C -0.933 173.899 174.600 0.386 0.000 1.092 192 S CA -0.578 57.829 58.200 0.345 0.000 1.030 192 S CB 1.524 64.975 63.200 0.418 0.000 1.031 192 S HN 0.600 nan 8.310 nan 0.000 0.483 193 V N 2.773 122.850 119.914 0.273 0.000 2.394 193 V HA 0.702 4.822 4.120 -0.000 0.000 0.282 193 V C 0.127 176.213 176.094 -0.013 0.000 1.031 193 V CA -0.645 61.741 62.300 0.144 0.000 0.881 193 V CB 1.192 33.090 31.823 0.126 0.000 0.982 193 V HN 0.959 nan 8.190 nan 0.000 0.451 194 A N 6.654 129.305 122.820 -0.282 0.000 2.271 194 A HA 0.875 5.195 4.320 -0.000 0.000 0.317 194 A C -0.730 176.645 177.584 -0.347 0.000 1.245 194 A CA -0.410 51.306 52.037 -0.536 0.000 0.857 194 A CB 0.549 18.679 19.000 -1.451 0.000 1.175 194 A HN 0.873 nan 8.150 nan 0.000 0.512 195 I N 1.604 122.037 120.570 -0.228 0.000 2.752 195 I HA 0.299 4.469 4.170 -0.000 0.000 0.295 195 I C -1.415 174.616 176.117 -0.145 0.000 1.219 195 I CA -0.767 60.435 61.300 -0.163 0.000 1.030 195 I CB 2.078 40.016 38.000 -0.104 0.000 1.259 195 I HN 0.559 nan 8.210 nan 0.000 0.423 196 D N 6.065 126.387 120.400 -0.129 0.000 2.350 196 D HA 0.238 4.878 4.640 -0.000 0.000 0.249 196 D C -0.595 175.635 176.300 -0.117 0.000 1.119 196 D CA 0.138 54.063 54.000 -0.125 0.000 0.886 196 D CB 2.095 42.830 40.800 -0.108 0.000 1.195 196 D HN 0.115 nan 8.370 nan 0.000 0.437 197 V N 5.308 125.135 119.914 -0.146 0.000 2.311 197 V HA 0.106 4.226 4.120 -0.000 0.000 0.275 197 V C -1.487 174.511 176.094 -0.160 0.000 1.022 197 V CA -1.392 60.814 62.300 -0.158 0.000 0.830 197 V CB 1.562 33.238 31.823 -0.246 0.000 1.012 197 V HN 0.339 nan 8.190 nan 0.000 0.452 198 P HA -0.238 nan 4.420 nan 0.000 0.216 198 P C 1.688 178.922 177.300 -0.110 0.000 1.157 198 P CA 2.036 65.067 63.100 -0.116 0.000 0.880 198 P CB 0.282 31.907 31.700 -0.124 0.000 0.791 199 A N -1.283 121.475 122.820 -0.102 0.000 1.978 199 A HA -0.166 4.154 4.320 -0.000 0.000 0.220 199 A C 2.086 179.597 177.584 -0.120 0.000 1.170 199 A CA 1.586 53.580 52.037 -0.070 0.000 0.636 199 A CB -1.434 17.573 19.000 0.012 0.000 0.810 199 A HN 0.174 nan 8.150 nan 0.000 0.448 200 L N -2.385 118.709 121.223 -0.216 0.000 2.515 200 L HA 0.257 4.597 4.340 -0.000 0.000 0.223 200 L C 1.711 178.471 176.870 -0.184 0.000 1.079 200 L CA 0.506 55.197 54.840 -0.249 0.000 0.857 200 L CB -0.153 41.655 42.059 -0.419 0.000 1.050 200 L HN 0.529 nan 8.230 nan 0.000 0.476 201 G N 1.258 109.962 108.800 -0.160 0.000 2.160 201 G HA2 -0.265 3.694 3.960 -0.000 0.000 0.251 201 G HA3 -0.265 3.694 3.960 -0.000 0.000 0.251 201 G C -0.091 174.726 174.900 -0.138 0.000 1.008 201 G CA 0.349 45.373 45.100 -0.126 0.000 0.724 201 G HN 0.232 nan 8.290 nan 0.000 0.514 202 L N -1.191 119.928 121.223 -0.173 0.000 2.359 202 L HA 0.603 4.943 4.340 -0.000 0.000 0.256 202 L C 0.336 177.102 176.870 -0.174 0.000 1.026 202 L CA -1.131 53.604 54.840 -0.174 0.000 0.828 202 L CB 1.938 43.869 42.059 -0.213 0.000 1.406 202 L HN 0.242 nan 8.230 nan 0.000 0.413 203 Q N 1.442 121.149 119.800 -0.155 0.000 2.259 203 Q HA 0.344 4.684 4.340 -0.000 0.000 0.249 203 Q C -1.401 174.508 176.000 -0.152 0.000 0.914 203 Q CA -0.512 55.197 55.803 -0.156 0.000 0.904 203 Q CB 1.395 30.039 28.738 -0.156 0.000 1.213 203 Q HN 0.396 nan 8.270 nan 0.000 0.428 204 Q N 2.981 122.696 119.800 -0.142 0.000 2.423 204 Q HA 0.552 4.892 4.340 -0.000 0.000 0.278 204 Q C -1.087 174.869 176.000 -0.073 0.000 1.097 204 Q CA -0.637 55.105 55.803 -0.100 0.000 0.809 204 Q CB 2.277 30.959 28.738 -0.093 0.000 1.391 204 Q HN 0.729 nan 8.270 nan 0.000 0.428 205 I N 1.820 122.376 120.570 -0.023 0.000 2.498 205 I HA 0.536 4.705 4.170 -0.000 0.000 0.290 205 I C -0.313 175.825 176.117 0.034 0.000 1.032 205 I CA -0.837 60.477 61.300 0.022 0.000 1.073 205 I CB 1.627 39.688 38.000 0.102 0.000 1.251 205 I HN 0.166 nan 8.210 nan 0.000 0.426 206 R N 4.083 124.609 120.500 0.044 0.000 2.725 206 R HA 0.521 4.861 4.340 -0.000 0.000 0.277 206 R C -1.268 174.922 176.300 -0.184 0.000 0.987 206 R CA -1.152 54.900 56.100 -0.079 0.000 0.901 206 R CB 2.161 32.424 30.300 -0.062 0.000 1.207 206 R HN 0.484 nan 8.270 nan 0.000 0.463 207 Q N 1.187 120.769 119.800 -0.364 0.000 2.235 207 Q HA 0.487 4.827 4.340 -0.000 0.000 0.250 207 Q C -1.119 174.477 176.000 -0.672 0.000 0.909 207 Q CA 0.022 55.629 55.803 -0.326 0.000 0.910 207 Q CB 1.081 29.581 28.738 -0.397 0.000 1.223 207 Q HN 0.405 nan 8.270 nan 0.000 0.432 208 Y N -0.563 119.778 120.300 0.068 0.000 2.421 208 Y HA 0.366 4.916 4.550 -0.000 0.000 0.339 208 Y C -0.168 175.797 175.900 0.108 0.000 0.996 208 Y CA -0.967 57.170 58.100 0.062 0.000 1.046 208 Y CB 1.999 40.473 38.460 0.024 0.000 1.226 208 Y HN 0.509 nan 8.280 nan 0.000 0.445 209 S N 3.282 119.139 115.700 0.262 0.000 2.568 209 S HA 0.252 4.722 4.470 -0.000 0.000 0.282 209 S C -0.209 174.458 174.600 0.112 0.000 1.338 209 S CA -0.459 57.901 58.200 0.268 0.000 1.045 209 S CB 0.205 63.618 63.200 0.356 0.000 0.873 209 S HN 0.427 nan 8.310 nan 0.000 0.516 210 L N 2.969 124.161 121.223 -0.051 0.000 2.281 210 L HA 0.252 4.592 4.340 -0.000 0.000 0.285 210 L C 0.567 177.365 176.870 -0.120 0.000 1.074 210 L CA -0.338 54.294 54.840 -0.348 0.000 0.817 210 L CB 0.831 42.206 42.059 -1.140 0.000 1.168 210 L HN 0.568 nan 8.230 nan 0.000 0.434 211 S N 2.217 117.915 115.700 -0.003 0.000 2.632 211 S HA 0.295 4.764 4.470 -0.000 0.000 0.267 211 S C -0.237 174.512 174.600 0.247 0.000 1.276 211 S CA -0.775 57.498 58.200 0.121 0.000 0.998 211 S CB 0.924 64.180 63.200 0.094 0.000 0.953 211 S HN 0.786 nan 8.310 nan 0.000 0.547 212 D N -0.274 120.264 120.400 0.231 0.000 3.439 212 D HA -0.178 4.462 4.640 -0.000 0.000 0.238 212 D C -0.557 175.939 176.300 0.326 0.000 1.727 212 D CA 0.735 54.877 54.000 0.237 0.000 1.145 212 D CB -0.424 40.500 40.800 0.205 0.000 0.764 212 D HN 0.354 nan 8.370 nan 0.000 0.938 213 M N 0.846 120.577 119.600 0.218 0.000 2.664 213 M HA 0.382 4.862 4.480 -0.000 0.000 0.314 213 M C -2.141 174.141 176.300 -0.030 0.000 1.200 213 M CA -1.693 53.627 55.300 0.034 0.000 0.916 213 M CB 1.178 33.765 32.600 -0.023 0.000 1.717 213 M HN 0.185 nan 8.290 nan 0.000 0.470 214 P HA 0.145 nan 4.420 nan 0.000 0.268 214 P C -0.575 176.688 177.300 -0.062 0.000 1.205 214 P CA 0.100 63.016 63.100 -0.308 0.000 0.771 214 P CB 0.282 31.612 31.700 -0.616 0.000 0.858 215 N N 0.496 119.220 118.700 0.040 0.000 2.160 215 N HA 0.189 4.928 4.740 -0.000 0.000 0.226 215 N C 1.175 176.690 175.510 0.008 0.000 1.256 215 N CA 0.172 53.235 53.050 0.021 0.000 0.890 215 N CB 0.014 38.528 38.487 0.045 0.000 1.116 215 N HN 0.591 nan 8.380 nan 0.000 0.517 216 G N 1.632 110.439 108.800 0.011 0.000 2.245 216 G HA2 -0.415 3.545 3.960 -0.000 0.000 0.264 216 G HA3 -0.415 3.545 3.960 -0.000 0.000 0.264 216 G C 0.983 175.869 174.900 -0.024 0.000 0.985 216 G CA 0.790 45.892 45.100 0.002 0.000 0.625 216 G HN 0.696 nan 8.290 nan 0.000 0.536 217 R N -0.828 119.647 120.500 -0.042 0.000 2.612 217 R HA 0.361 4.701 4.340 -0.000 0.000 0.260 217 R C 0.616 176.862 176.300 -0.089 0.000 0.943 217 R CA 1.029 57.089 56.100 -0.066 0.000 1.036 217 R CB 0.327 30.603 30.300 -0.039 0.000 1.520 217 R HN 0.903 nan 8.270 nan 0.000 0.563 218 T N -1.919 112.584 114.554 -0.085 0.000 2.868 218 T HA 0.601 4.951 4.350 -0.000 0.000 0.306 218 T C -1.476 173.223 174.700 -0.002 0.000 1.224 218 T CA -0.671 61.408 62.100 -0.035 0.000 1.012 218 T CB 1.959 70.863 68.868 0.060 0.000 1.221 218 T HN 0.038 nan 8.240 nan 0.000 0.499 219 Y N -0.098 120.335 120.300 0.223 0.000 2.536 219 Y HA 0.804 5.353 4.550 -0.000 0.000 0.347 219 Y C 0.347 176.305 175.900 0.098 0.000 1.000 219 Y CA -1.442 56.744 58.100 0.143 0.000 1.051 219 Y CB 2.138 40.621 38.460 0.039 0.000 1.259 219 Y HN 0.873 nan 8.280 nan 0.000 0.468 220 R N 3.385 124.033 120.500 0.246 0.000 2.575 220 R HA 0.780 5.120 4.340 -0.000 0.000 0.293 220 R C -1.693 174.669 176.300 0.102 0.000 0.983 220 R CA -0.632 55.564 56.100 0.161 0.000 0.887 220 R CB 1.311 31.695 30.300 0.140 0.000 1.184 220 R HN 0.828 nan 8.270 nan 0.000 0.445 221 I N -0.247 120.387 120.570 0.107 0.000 2.608 221 I HA 0.532 4.702 4.170 -0.000 0.000 0.295 221 I C -0.875 175.312 176.117 0.117 0.000 1.049 221 I CA -0.755 60.592 61.300 0.078 0.000 1.063 221 I CB 2.425 40.425 38.000 0.000 0.000 1.248 221 I HN 0.432 nan 8.210 nan 0.000 0.424 222 S N 4.402 120.166 115.700 0.108 0.000 2.474 222 S HA 0.649 5.119 4.470 -0.000 0.000 0.321 222 S C -0.713 173.972 174.600 0.142 0.000 1.080 222 S CA -0.451 57.819 58.200 0.117 0.000 1.106 222 S CB 1.047 64.296 63.200 0.081 0.000 0.984 222 S HN 0.481 nan 8.310 nan 0.000 0.464 223 V N 6.232 126.250 119.914 0.173 0.000 2.370 223 V HA 0.465 4.585 4.120 -0.000 0.000 0.283 223 V C 0.173 176.478 176.094 0.350 0.000 1.023 223 V CA -0.854 61.568 62.300 0.204 0.000 0.857 223 V CB 1.454 33.327 31.823 0.084 0.000 0.985 223 V HN 0.803 nan 8.190 nan 0.000 0.443 224 K N 4.698 125.264 120.400 0.276 0.000 2.227 224 K HA 0.391 4.711 4.320 -0.000 0.000 0.280 224 K C 0.267 176.926 176.600 0.097 0.000 1.041 224 K CA -0.668 55.738 56.287 0.198 0.000 0.905 224 K CB 0.792 33.381 32.500 0.148 0.000 1.068 224 K HN 0.680 nan 8.250 nan 0.000 0.470 225 R N 3.599 124.021 120.500 -0.130 0.000 2.458 225 R HA -0.014 4.325 4.340 -0.000 0.000 0.303 225 R C -0.577 175.664 176.300 -0.098 0.000 1.013 225 R CA 0.214 56.122 56.100 -0.320 0.000 1.026 225 R CB 0.510 30.473 30.300 -0.561 0.000 0.948 225 R HN 0.597 nan 8.270 nan 0.000 0.417 226 E N 2.340 122.513 120.200 -0.046 0.000 2.222 226 E HA 0.402 4.752 4.350 -0.000 0.000 0.267 226 E C 0.238 176.818 176.600 -0.034 0.000 0.963 226 E CA 0.201 56.593 56.400 -0.013 0.000 0.837 226 E CB 1.767 31.480 29.700 0.021 0.000 1.183 226 E HN 0.895 nan 8.360 nan 0.000 0.403 227 G N 0.273 109.055 108.800 -0.030 0.000 2.796 227 G HA2 0.219 4.179 3.960 -0.000 0.000 0.226 227 G HA3 0.219 4.179 3.960 -0.000 0.000 0.226 227 G C 0.103 174.979 174.900 -0.040 0.000 1.381 227 G CA -0.002 45.074 45.100 -0.041 0.000 0.867 227 G HN 1.166 nan 8.290 nan 0.000 0.552 228 G N -2.214 106.563 108.800 -0.038 0.000 2.535 228 G HA2 0.601 4.561 3.960 -0.000 0.000 0.662 228 G HA3 0.601 4.561 3.960 -0.000 0.000 0.662 228 G C 1.101 175.986 174.900 -0.026 0.000 1.417 228 G CA 0.687 45.769 45.100 -0.030 0.000 0.866 228 G HN 3.104 nan 8.290 nan 0.000 0.647 229 G N 2.850 111.638 108.800 -0.020 0.000 2.601 229 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.306 229 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.306 229 G C 0.172 175.062 174.900 -0.017 0.000 1.172 229 G CA 1.291 46.381 45.100 -0.017 0.000 0.966 229 G HN 1.606 nan 8.290 nan 0.000 0.542 230 P HA 0.013 nan 4.420 nan 0.000 0.218 230 P C 0.420 177.710 177.300 -0.018 0.000 1.148 230 P CA 1.347 64.437 63.100 -0.017 0.000 0.822 230 P CB 0.014 31.702 31.700 -0.020 0.000 0.784 231 Q N 0.257 120.044 119.800 -0.022 0.000 2.293 231 Q HA 0.400 4.740 4.340 -0.000 0.000 0.261 231 Q C -2.517 173.461 176.000 -0.035 0.000 0.960 231 Q CA -2.582 53.206 55.803 -0.025 0.000 0.882 231 Q CB 1.064 29.787 28.738 -0.026 0.000 1.275 231 Q HN 0.120 nan 8.270 nan 0.000 0.445 232 P HA 0.075 nan 4.420 nan 0.000 0.271 232 P C -2.221 175.016 177.300 -0.105 0.000 1.226 232 P CA -0.800 62.260 63.100 -0.068 0.000 0.765 232 P CB -0.010 31.646 31.700 -0.072 0.000 0.835 233 P HA -0.028 nan 4.420 nan 0.000 0.265 233 P C 0.392 177.585 177.300 -0.178 0.000 1.187 233 P CA 0.325 63.366 63.100 -0.098 0.000 0.766 233 P CB 0.535 32.201 31.700 -0.056 0.000 0.820 234 G N 1.733 110.456 108.800 -0.128 0.000 2.491 234 G HA2 0.054 4.014 3.960 -0.000 0.000 0.242 234 G HA3 0.054 4.014 3.960 -0.000 0.000 0.242 234 G C 0.440 175.284 174.900 -0.092 0.000 1.266 234 G CA -0.373 44.641 45.100 -0.143 0.000 0.844 234 G HN 0.451 nan 8.290 nan 0.000 0.571 235 Y N 1.213 121.524 120.300 0.019 0.000 2.092 235 Y HA -0.160 4.390 4.550 -0.000 0.000 0.282 235 Y C 2.893 178.811 175.900 0.030 0.000 1.126 235 Y CA 1.204 59.311 58.100 0.012 0.000 1.111 235 Y CB -0.327 38.125 38.460 -0.013 0.000 0.987 235 Y HN 0.284 nan 8.280 nan 0.000 0.489 236 V N -0.133 119.919 119.914 0.230 0.000 2.453 236 V HA -0.256 3.864 4.120 -0.000 0.000 0.247 236 V C 2.363 178.547 176.094 0.150 0.000 1.048 236 V CA 1.849 64.246 62.300 0.161 0.000 1.049 236 V CB -0.929 30.993 31.823 0.165 0.000 0.672 236 V HN 0.546 nan 8.190 nan 0.000 0.457 237 S N 0.792 116.594 115.700 0.169 0.000 2.368 237 S HA -0.226 4.244 4.470 -0.000 0.000 0.225 237 S C 1.802 176.502 174.600 0.167 0.000 1.030 237 S CA 1.673 59.977 58.200 0.173 0.000 0.999 237 S CB -0.649 62.639 63.200 0.148 0.000 0.844 237 S HN 0.626 nan 8.310 nan 0.000 0.459 238 N N 1.416 120.181 118.700 0.108 0.000 2.270 238 N HA 0.035 4.775 4.740 -0.000 0.000 0.181 238 N C 1.693 177.327 175.510 0.205 0.000 1.016 238 N CA 1.052 54.168 53.050 0.110 0.000 0.870 238 N CB -0.511 38.019 38.487 0.072 0.000 0.979 238 N HN 0.342 nan 8.380 nan 0.000 0.431 239 L N 1.550 122.889 121.223 0.194 0.000 2.046 239 L HA -0.038 4.302 4.340 -0.000 0.000 0.208 239 L C 2.101 179.092 176.870 0.202 0.000 1.077 239 L CA 1.246 56.216 54.840 0.217 0.000 0.747 239 L CB -0.577 41.556 42.059 0.123 0.000 0.896 239 L HN 0.067 nan 8.230 nan 0.000 0.432 240 L N -1.488 119.815 121.223 0.133 0.000 2.046 240 L HA -0.238 4.102 4.340 -0.000 0.000 0.208 240 L C 2.527 179.576 176.870 0.298 0.000 1.077 240 L CA 1.222 56.093 54.840 0.052 0.000 0.747 240 L CB -0.695 41.208 42.059 -0.261 0.000 0.896 240 L HN 0.351 nan 8.230 nan 0.000 0.432 241 H N -0.301 118.898 119.070 0.216 0.000 2.326 241 H HA -0.141 4.415 4.556 -0.000 0.000 0.301 241 H C 1.801 177.178 175.328 0.082 0.000 1.081 241 H CA 1.762 57.926 56.048 0.195 0.000 1.334 241 H CB 0.042 29.875 29.762 0.119 0.000 1.385 241 H HN 0.273 nan 8.280 nan 0.000 0.504 242 D N -1.430 119.067 120.400 0.162 0.000 2.327 242 D HA -0.005 4.635 4.640 -0.000 0.000 0.205 242 D C 0.781 176.833 176.300 -0.413 0.000 0.989 242 D CA 0.858 54.783 54.000 -0.125 0.000 0.873 242 D CB 0.201 40.887 40.800 -0.191 0.000 0.955 242 D HN 0.543 nan 8.370 nan 0.000 0.515 243 H N -1.142 117.983 119.070 0.092 0.000 3.233 243 H HA 0.297 4.852 4.556 -0.000 0.000 0.263 243 H C -0.370 174.993 175.328 0.059 0.000 1.168 243 H CA -0.075 56.011 56.048 0.062 0.000 1.159 243 H CB 1.280 31.069 29.762 0.044 0.000 1.593 243 H HN -0.193 nan 8.280 nan 0.000 0.580 244 V N 2.525 122.535 119.914 0.159 0.000 2.334 244 V HA 0.285 4.405 4.120 -0.000 0.000 0.281 244 V C -0.321 175.875 176.094 0.170 0.000 1.016 244 V CA -0.789 61.593 62.300 0.136 0.000 0.832 244 V CB 0.977 32.849 31.823 0.082 0.000 0.999 244 V HN 0.386 nan 8.190 nan 0.000 0.439 245 N N 2.286 121.053 118.700 0.112 0.000 2.545 245 N HA 0.521 5.261 4.740 -0.000 0.000 0.289 245 N C -0.549 175.004 175.510 0.073 0.000 1.279 245 N CA -0.635 52.463 53.050 0.080 0.000 0.824 245 N CB 2.187 40.696 38.487 0.037 0.000 1.395 245 N HN 0.276 nan 8.380 nan 0.000 0.526 246 V N 0.871 120.809 119.914 0.041 0.000 2.681 246 V HA 0.137 4.257 4.120 -0.000 0.000 0.306 246 V C 1.563 177.678 176.094 0.035 0.000 1.077 246 V CA 1.753 64.074 62.300 0.036 0.000 1.224 246 V CB -0.119 31.709 31.823 0.008 0.000 0.879 246 V HN 1.097 nan 8.190 nan 0.000 0.494 247 G N 3.541 112.366 108.800 0.041 0.000 2.308 247 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.221 247 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.221 247 G C 0.034 174.956 174.900 0.035 0.000 1.032 247 G CA 0.054 45.172 45.100 0.030 0.000 0.623 247 G HN 0.660 nan 8.290 nan 0.000 0.506 248 D N 1.332 121.760 120.400 0.047 0.000 2.363 248 D HA 0.497 5.137 4.640 -0.000 0.000 0.240 248 D C 0.762 177.091 176.300 0.049 0.000 1.236 248 D CA 0.465 54.491 54.000 0.044 0.000 0.927 248 D CB 0.465 41.296 40.800 0.052 0.000 1.150 248 D HN 0.561 nan 8.370 nan 0.000 0.458 249 Q N -0.318 119.504 119.800 0.036 0.000 2.377 249 Q HA 0.620 4.960 4.340 -0.000 0.000 0.271 249 Q C -0.716 175.304 176.000 0.033 0.000 1.077 249 Q CA -0.990 54.841 55.803 0.045 0.000 0.820 249 Q CB 2.694 31.450 28.738 0.030 0.000 1.347 249 Q HN 0.346 nan 8.270 nan 0.000 0.444 250 V N -2.057 117.893 119.914 0.061 0.000 3.130 250 V HA 0.643 4.762 4.120 -0.000 0.000 0.310 250 V C -1.239 174.902 176.094 0.079 0.000 1.158 250 V CA -1.164 61.149 62.300 0.022 0.000 1.029 250 V CB 2.175 33.989 31.823 -0.015 0.000 1.057 250 V HN 0.623 nan 8.190 nan 0.000 0.436 251 K N 2.030 122.437 120.400 0.013 0.000 2.182 251 K HA 0.783 5.103 4.320 -0.000 0.000 0.262 251 K C -1.322 175.425 176.600 0.244 0.000 0.957 251 K CA -0.515 55.844 56.287 0.121 0.000 0.842 251 K CB 1.937 34.385 32.500 -0.087 0.000 1.099 251 K HN 0.594 nan 8.250 nan 0.000 0.438 252 L N 1.641 123.146 121.223 0.470 0.000 2.354 252 L HA 0.617 4.957 4.340 -0.000 0.000 0.269 252 L C -0.255 177.100 176.870 0.807 0.000 1.005 252 L CA -1.156 53.973 54.840 0.482 0.000 0.819 252 L CB 2.015 44.070 42.059 -0.007 0.000 1.311 252 L HN 0.696 nan 8.230 nan 0.000 0.423 253 A N 1.318 124.500 122.820 0.603 0.000 2.279 253 A HA 0.811 5.130 4.320 -0.000 0.000 0.303 253 A C 0.128 177.782 177.584 0.117 0.000 1.108 253 A CA -0.259 51.963 52.037 0.308 0.000 0.830 253 A CB 1.101 20.167 19.000 0.110 0.000 1.106 253 A HN 0.799 nan 8.150 nan 0.000 0.493 254 A N 1.639 124.165 122.820 -0.490 0.000 2.406 254 A HA 0.555 4.875 4.320 -0.000 0.000 0.243 254 A C -2.394 174.705 177.584 -0.808 0.000 1.082 254 A CA -1.063 50.297 52.037 -1.129 0.000 0.786 254 A CB -0.768 17.317 19.000 -1.525 0.000 1.029 254 A HN 0.592 nan 8.150 nan 0.000 0.495 255 P HA 0.302 nan 4.420 nan 0.000 0.265 255 P C -1.022 175.745 177.300 -0.888 0.000 1.193 255 P CA 0.909 63.636 63.100 -0.621 0.000 0.765 255 P CB 0.120 31.599 31.700 -0.370 0.000 0.823 256 Y N 0.804 120.825 120.300 -0.465 0.000 2.728 256 Y HA 0.694 5.244 4.550 -0.000 0.000 0.330 256 Y C 0.525 176.006 175.900 -0.699 0.000 1.234 256 Y CA -0.636 57.188 58.100 -0.461 0.000 1.070 256 Y CB 2.152 40.399 38.460 -0.355 0.000 1.300 256 Y HN 0.632 nan 8.280 nan 0.000 0.467 257 G N -0.025 108.682 108.800 -0.156 0.000 3.014 257 G HA2 0.073 4.033 3.960 -0.000 0.000 0.683 257 G HA3 0.073 4.033 3.960 -0.000 0.000 0.683 257 G C -0.060 174.947 174.900 0.177 0.000 1.271 257 G CA -0.285 44.801 45.100 -0.024 0.000 0.843 257 G HN 1.020 nan 8.290 nan 0.000 0.612 258 S N 0.764 116.568 115.700 0.174 0.000 2.548 258 S HA 0.269 4.739 4.470 -0.000 0.000 0.215 258 S C 0.803 175.371 174.600 -0.054 0.000 0.976 258 S CA 0.313 58.552 58.200 0.065 0.000 0.908 258 S CB 0.177 63.410 63.200 0.055 0.000 0.781 258 S HN 1.434 nan 8.310 nan 0.000 0.519 259 F N 5.156 125.100 119.950 -0.009 0.000 2.464 259 F HA 0.438 4.965 4.527 -0.000 0.000 0.353 259 F C -0.061 175.736 175.800 -0.005 0.000 1.191 259 F CA -0.684 57.312 58.000 -0.006 0.000 1.147 259 F CB -0.726 38.299 39.000 0.041 0.000 1.294 259 F HN 0.474 nan 8.300 nan 0.000 0.583 260 H N 4.085 122.914 119.070 -0.401 0.000 3.093 260 H HA 0.332 4.888 4.556 -0.000 0.000 0.312 260 H C -1.435 173.630 175.328 -0.439 0.000 1.213 260 H CA -1.430 54.321 56.048 -0.494 0.000 1.366 260 H CB -0.256 29.355 29.762 -0.251 0.000 1.998 260 H HN 0.177 nan 8.280 nan 0.000 0.522 261 I N 1.578 121.864 120.570 -0.473 0.000 2.752 261 I HA 0.040 4.210 4.170 -0.000 0.000 0.287 261 I C 0.484 176.554 176.117 -0.078 0.000 1.188 261 I CA 0.295 61.331 61.300 -0.439 0.000 1.427 261 I CB 0.213 37.968 38.000 -0.409 0.000 1.365 261 I HN 0.792 nan 8.210 nan 0.000 0.585 262 D N 5.447 125.822 120.400 -0.043 0.000 2.456 262 D HA 0.091 4.731 4.640 -0.000 0.000 0.219 262 D C 0.783 177.079 176.300 -0.007 0.000 1.126 262 D CA -0.219 53.793 54.000 0.021 0.000 0.890 262 D CB 0.931 41.745 40.800 0.023 0.000 1.025 262 D HN 0.298 nan 8.370 nan 0.000 0.511 263 V N 3.901 123.804 119.914 -0.019 0.000 3.241 263 V HA -0.114 4.005 4.120 -0.000 0.000 0.269 263 V C 0.975 177.060 176.094 -0.016 0.000 1.151 263 V CA 1.540 63.821 62.300 -0.032 0.000 1.158 263 V CB -0.157 31.638 31.823 -0.048 0.000 0.764 263 V HN 0.537 nan 8.190 nan 0.000 0.508 264 D N 0.524 120.921 120.400 -0.003 0.000 2.216 264 D HA 0.125 4.765 4.640 -0.000 0.000 0.208 264 D C 1.223 177.528 176.300 0.009 0.000 0.960 264 D CA 0.951 54.952 54.000 0.002 0.000 0.861 264 D CB 0.047 40.851 40.800 0.006 0.000 0.985 264 D HN 0.535 nan 8.370 nan 0.000 0.493 265 A N 1.514 124.343 122.820 0.014 0.000 2.386 265 A HA 0.137 4.457 4.320 -0.000 0.000 0.246 265 A C 1.082 178.679 177.584 0.020 0.000 1.089 265 A CA 0.073 52.122 52.037 0.021 0.000 0.790 265 A CB 0.397 19.415 19.000 0.030 0.000 1.042 265 A HN 0.007 nan 8.150 nan 0.000 0.497 266 K N 0.180 120.594 120.400 0.024 0.000 2.438 266 K HA 0.122 4.442 4.320 -0.000 0.000 0.206 266 K C 0.323 176.942 176.600 0.032 0.000 1.081 266 K CA 0.553 56.856 56.287 0.028 0.000 1.053 266 K CB -1.191 31.324 32.500 0.025 0.000 0.908 266 K HN 0.730 nan 8.250 nan 0.000 0.556 267 T N 0.801 115.374 114.554 0.031 0.000 2.813 267 T HA 0.314 4.664 4.350 -0.000 0.000 0.297 267 T C -2.616 172.103 174.700 0.031 0.000 1.036 267 T CA -1.424 60.694 62.100 0.029 0.000 1.044 267 T CB 0.523 69.407 68.868 0.028 0.000 0.993 267 T HN -0.136 nan 8.240 nan 0.000 0.535 268 P HA 0.333 nan 4.420 nan 0.000 0.269 268 P C -0.726 176.572 177.300 -0.004 0.000 1.209 268 P CA -0.194 62.913 63.100 0.012 0.000 0.776 268 P CB 0.299 31.994 31.700 -0.009 0.000 0.876 269 I N 1.891 122.473 120.570 0.021 0.000 2.465 269 I HA 0.327 4.497 4.170 -0.000 0.000 0.291 269 I C -0.659 175.471 176.117 0.022 0.000 1.014 269 I CA -0.962 60.372 61.300 0.057 0.000 1.093 269 I CB 2.078 40.119 38.000 0.068 0.000 1.267 269 I HN -0.054 nan 8.210 nan 0.000 0.431 270 V N 7.418 127.309 119.914 -0.038 0.000 2.407 270 V HA 0.412 4.531 4.120 -0.000 0.000 0.291 270 V C -0.251 175.913 176.094 0.116 0.000 1.018 270 V CA -0.460 61.820 62.300 -0.033 0.000 0.842 270 V CB 1.758 33.420 31.823 -0.268 0.000 0.996 270 V HN 0.470 nan 8.190 nan 0.000 0.426 271 L N 6.329 127.602 121.223 0.083 0.000 2.272 271 L HA 0.597 4.937 4.340 -0.000 0.000 0.289 271 L C -0.491 176.273 176.870 -0.176 0.000 1.032 271 L CA -0.104 54.736 54.840 -0.000 0.000 0.810 271 L CB 1.454 43.455 42.059 -0.097 0.000 1.205 271 L HN 0.497 nan 8.230 nan 0.000 0.422 272 I N 2.592 123.164 120.570 0.003 0.000 2.390 272 I HA 0.267 4.436 4.170 -0.000 0.000 0.283 272 I C -0.172 176.036 176.117 0.153 0.000 1.016 272 I CA -0.087 61.240 61.300 0.045 0.000 1.151 272 I CB 1.756 39.825 38.000 0.115 0.000 1.293 272 I HN 0.468 nan 8.210 nan 0.000 0.458 273 S N 3.860 119.600 115.700 0.066 0.000 2.449 273 S HA 0.633 5.103 4.470 -0.000 0.000 0.310 273 S C 0.420 175.014 174.600 -0.011 0.000 1.096 273 S CA -0.455 57.836 58.200 0.153 0.000 1.095 273 S CB 1.292 64.646 63.200 0.256 0.000 1.007 273 S HN 0.784 nan 8.310 nan 0.000 0.474 274 G N 1.798 110.353 108.800 -0.408 0.000 4.291 274 G HA2 0.515 4.475 3.960 -0.000 0.000 0.304 274 G HA3 0.515 4.475 3.960 -0.000 0.000 0.304 274 G C 0.796 175.309 174.900 -0.646 0.000 1.264 274 G CA -0.022 44.377 45.100 -1.169 0.000 1.039 274 G HN 1.375 nan 8.290 nan 0.000 0.578 275 G N -0.965 107.679 108.800 -0.260 0.000 3.033 275 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.208 275 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.208 275 G C 0.215 175.099 174.900 -0.027 0.000 1.006 275 G CA 0.014 45.024 45.100 -0.150 0.000 0.808 275 G HN 0.547 nan 8.290 nan 0.000 0.499 276 V N 2.579 122.500 119.914 0.012 0.000 2.540 276 V HA 0.487 4.606 4.120 -0.000 0.000 0.297 276 V C 1.609 177.776 176.094 0.121 0.000 1.024 276 V CA 0.904 63.240 62.300 0.060 0.000 1.105 276 V CB 0.705 32.599 31.823 0.119 0.000 0.938 276 V HN 0.566 nan 8.190 nan 0.000 0.482 277 G N 4.110 112.949 108.800 0.065 0.000 2.546 277 G HA2 0.284 4.244 3.960 -0.000 0.000 0.239 277 G HA3 0.284 4.244 3.960 -0.000 0.000 0.239 277 G C 0.586 175.503 174.900 0.028 0.000 1.476 277 G CA -0.751 44.385 45.100 0.061 0.000 1.064 277 G HN 0.541 nan 8.290 nan 0.000 0.561 278 L N 1.327 122.550 121.223 0.001 0.000 2.737 278 L HA 0.130 4.470 4.340 -0.000 0.000 0.246 278 L C 1.037 177.889 176.870 -0.029 0.000 1.153 278 L CA 1.004 55.836 54.840 -0.013 0.000 0.920 278 L CB -2.236 39.810 42.059 -0.021 0.000 1.090 278 L HN 0.557 nan 8.230 nan 0.000 0.430 279 T N -3.180 111.333 114.554 -0.068 0.000 2.965 279 T HA 0.481 4.831 4.350 -0.000 0.000 0.306 279 T C -2.592 171.897 174.700 -0.351 0.000 0.991 279 T CA -1.406 60.616 62.100 -0.130 0.000 1.001 279 T CB 2.477 71.302 68.868 -0.072 0.000 0.984 279 T HN -0.173 nan 8.240 nan 0.000 0.446 280 P HA 0.294 nan 4.420 nan 0.000 0.241 280 P C 1.016 178.289 177.300 -0.044 0.000 1.783 280 P CA -0.573 62.406 63.100 -0.201 0.000 1.052 280 P CB 0.222 31.890 31.700 -0.055 0.000 1.594 281 M N 0.257 119.820 119.600 -0.061 0.000 2.202 281 M HA -0.114 4.366 4.480 -0.000 0.000 0.262 281 M C 1.668 178.078 176.300 0.182 0.000 1.063 281 M CA 1.661 57.090 55.300 0.216 0.000 1.097 281 M CB -1.126 31.607 32.600 0.221 0.000 1.382 281 M HN -0.042 nan 8.290 nan 0.000 0.413 282 V N -0.795 119.170 119.914 0.086 0.000 2.626 282 V HA -0.187 3.933 4.120 -0.000 0.000 0.252 282 V C 2.015 178.152 176.094 0.071 0.000 1.067 282 V CA 2.226 64.555 62.300 0.049 0.000 1.081 282 V CB -0.490 31.341 31.823 0.014 0.000 0.686 282 V HN 0.630 nan 8.190 nan 0.000 0.468 283 S N -0.138 115.632 115.700 0.116 0.000 2.368 283 S HA -0.183 4.287 4.470 -0.000 0.000 0.224 283 S C 1.812 176.482 174.600 0.118 0.000 1.029 283 S CA 2.129 60.404 58.200 0.126 0.000 0.988 283 S CB -0.342 62.974 63.200 0.194 0.000 0.838 283 S HN 0.696 nan 8.310 nan 0.000 0.462 284 M N 0.841 120.552 119.600 0.186 0.000 2.254 284 M HA 0.087 4.566 4.480 -0.000 0.000 0.265 284 M C 1.911 178.238 176.300 0.045 0.000 1.066 284 M CA 1.026 56.388 55.300 0.102 0.000 1.123 284 M CB -0.083 32.613 32.600 0.161 0.000 1.388 284 M HN 0.267 nan 8.290 nan 0.000 0.425 285 L N 0.251 121.526 121.223 0.087 0.000 2.046 285 L HA -0.240 4.099 4.340 -0.000 0.000 0.208 285 L C 2.194 179.042 176.870 -0.038 0.000 1.077 285 L CA 1.530 56.395 54.840 0.041 0.000 0.747 285 L CB -0.328 41.740 42.059 0.015 0.000 0.896 285 L HN 0.245 nan 8.230 nan 0.000 0.432 286 K N -0.587 119.796 120.400 -0.030 0.000 2.020 286 K HA -0.193 4.127 4.320 -0.000 0.000 0.212 286 K C 1.803 178.354 176.600 -0.082 0.000 1.050 286 K CA 1.677 57.930 56.287 -0.056 0.000 0.929 286 K CB -0.575 31.908 32.500 -0.027 0.000 0.714 286 K HN 0.150 nan 8.250 nan 0.000 0.443 287 V N 0.690 120.562 119.914 -0.069 0.000 2.287 287 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 287 V C 2.232 178.256 176.094 -0.116 0.000 1.053 287 V CA 2.092 64.338 62.300 -0.090 0.000 1.027 287 V CB -0.935 30.830 31.823 -0.097 0.000 0.646 287 V HN 0.425 nan 8.190 nan 0.000 0.447 288 A N -0.152 122.592 122.820 -0.126 0.000 1.902 288 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 288 A C 2.030 179.493 177.584 -0.201 0.000 1.181 288 A CA 1.655 53.611 52.037 -0.136 0.000 0.623 288 A CB -0.537 18.407 19.000 -0.093 0.000 0.818 288 A HN 0.547 nan 8.150 nan 0.000 0.443 289 L N -0.219 120.832 121.223 -0.286 0.000 2.627 289 L HA 0.045 4.385 4.340 -0.000 0.000 0.233 289 L C 1.194 177.851 176.870 -0.355 0.000 1.144 289 L CA -0.279 54.220 54.840 -0.567 0.000 0.892 289 L CB -0.487 41.224 42.059 -0.579 0.000 1.039 289 L HN 0.492 nan 8.230 nan 0.000 0.442 290 Q N 0.399 120.093 119.800 -0.177 0.000 2.631 290 Q HA 0.347 4.687 4.340 -0.000 0.000 0.210 290 Q C 0.492 176.479 176.000 -0.022 0.000 1.094 290 Q CA -0.239 55.513 55.803 -0.084 0.000 1.055 290 Q CB 0.709 29.409 28.738 -0.063 0.000 1.261 290 Q HN 0.358 nan 8.270 nan 0.000 0.615 291 A N 1.142 123.965 122.820 0.006 0.000 2.462 291 A HA 0.301 4.621 4.320 -0.000 0.000 0.243 291 A C -2.043 175.563 177.584 0.036 0.000 1.076 291 A CA -0.923 51.136 52.037 0.038 0.000 0.773 291 A CB -0.286 18.729 19.000 0.024 0.000 1.010 291 A HN 0.532 nan 8.150 nan 0.000 0.493 292 P HA 0.419 nan 4.420 nan 0.000 0.304 292 P C -2.644 174.737 177.300 0.135 0.000 1.355 292 P CA -0.323 62.822 63.100 0.076 0.000 0.838 292 P CB -0.579 31.150 31.700 0.048 0.000 2.121 293 P HA 0.386 nan 4.420 nan 0.000 0.292 293 P C -0.842 176.546 177.300 0.147 0.000 1.283 293 P CA -0.119 63.072 63.100 0.152 0.000 0.835 293 P CB 1.790 33.505 31.700 0.026 0.000 1.017 294 R N 1.282 121.921 120.500 0.232 0.000 2.744 294 R HA 0.333 4.673 4.340 -0.000 0.000 0.279 294 R C -0.282 176.133 176.300 0.191 0.000 0.977 294 R CA -0.865 55.326 56.100 0.152 0.000 0.906 294 R CB 2.219 32.584 30.300 0.107 0.000 1.197 294 R HN 0.486 nan 8.270 nan 0.000 0.463 295 Q N 2.046 121.920 119.800 0.123 0.000 2.307 295 Q HA 0.273 4.612 4.340 -0.000 0.000 0.259 295 Q C -1.134 174.950 176.000 0.140 0.000 0.998 295 Q CA -0.144 55.733 55.803 0.124 0.000 0.923 295 Q CB 0.933 29.717 28.738 0.077 0.000 1.196 295 Q HN 0.291 nan 8.270 nan 0.000 0.416 296 V N 4.479 124.515 119.914 0.203 0.000 2.604 296 V HA 0.529 4.649 4.120 -0.000 0.000 0.305 296 V C -0.606 175.622 176.094 0.224 0.000 1.043 296 V CA -0.798 61.617 62.300 0.192 0.000 0.888 296 V CB 1.994 33.931 31.823 0.191 0.000 0.995 296 V HN 0.498 nan 8.190 nan 0.000 0.429 297 V N 4.632 124.680 119.914 0.223 0.000 2.588 297 V HA 0.510 4.629 4.120 -0.000 0.000 0.304 297 V C -1.060 175.236 176.094 0.338 0.000 1.042 297 V CA -0.552 61.929 62.300 0.302 0.000 0.877 297 V CB 1.910 33.903 31.823 0.284 0.000 0.996 297 V HN 0.735 nan 8.190 nan 0.000 0.425 298 F N 4.656 124.778 119.950 0.287 0.000 2.449 298 F HA 0.706 5.233 4.527 -0.000 0.000 0.342 298 F C -0.351 175.691 175.800 0.403 0.000 1.127 298 F CA -0.545 57.627 58.000 0.288 0.000 0.975 298 F CB 1.724 40.851 39.000 0.212 0.000 1.146 298 F HN 0.262 nan 8.300 nan 0.000 0.444 299 V N 5.646 125.641 119.914 0.135 0.000 2.313 299 V HA 0.166 4.286 4.120 -0.000 0.000 0.278 299 V C -0.771 175.535 176.094 0.354 0.000 1.017 299 V CA -0.681 61.841 62.300 0.371 0.000 0.823 299 V CB 0.649 32.605 31.823 0.220 0.000 1.010 299 V HN 0.647 nan 8.190 nan 0.000 0.443 300 H N 3.595 122.996 119.070 0.551 0.000 2.594 300 H HA 0.609 5.165 4.556 -0.000 0.000 0.304 300 H C 0.409 176.002 175.328 0.443 0.000 1.068 300 H CA -0.234 56.137 56.048 0.538 0.000 1.308 300 H CB 1.351 31.481 29.762 0.614 0.000 1.409 300 H HN 0.692 nan 8.280 nan 0.000 0.460 301 G N 4.025 112.813 108.800 -0.019 0.000 2.428 301 G HA2 0.596 4.556 3.960 -0.000 0.000 0.320 301 G HA3 0.596 4.556 3.960 -0.000 0.000 0.320 301 G C -0.738 173.976 174.900 -0.310 0.000 1.098 301 G CA 0.071 45.123 45.100 -0.080 0.000 0.984 301 G HN 0.816 nan 8.290 nan 0.000 0.444 302 A N 2.919 125.602 122.820 -0.228 0.000 2.389 302 A HA 0.795 5.115 4.320 -0.000 0.000 0.293 302 A C 1.174 178.652 177.584 -0.178 0.000 1.186 302 A CA -0.846 51.043 52.037 -0.247 0.000 0.828 302 A CB 1.332 20.183 19.000 -0.249 0.000 1.369 302 A HN 0.555 nan 8.150 nan 0.000 0.446 303 R N -0.194 120.150 120.500 -0.260 0.000 2.074 303 R HA 0.125 4.465 4.340 -0.000 0.000 0.218 303 R C -0.042 175.947 176.300 -0.518 0.000 1.137 303 R CA 1.472 57.425 56.100 -0.246 0.000 0.998 303 R CB -0.220 29.995 30.300 -0.142 0.000 0.895 303 R HN 0.907 nan 8.270 nan 0.000 0.442 304 N N -2.194 116.035 118.700 -0.784 0.000 3.505 304 N HA 0.011 4.751 4.740 -0.000 0.000 0.349 304 N C -0.058 175.050 175.510 -0.670 0.000 1.491 304 N CA -0.446 51.963 53.050 -1.068 0.000 0.859 304 N CB 0.049 38.318 38.487 -0.363 0.000 2.068 304 N HN -0.286 nan 8.380 nan 0.000 0.500 305 S N -0.887 114.685 115.700 -0.214 0.000 2.453 305 S HA 0.119 4.588 4.470 -0.000 0.000 0.231 305 S C 1.756 176.357 174.600 0.002 0.000 1.005 305 S CA 0.747 58.922 58.200 -0.043 0.000 0.949 305 S CB -0.872 62.314 63.200 -0.023 0.000 0.774 305 S HN 0.699 nan 8.310 nan 0.000 0.510 306 A N 1.380 124.200 122.820 -0.001 0.000 1.879 306 A HA -0.151 4.169 4.320 -0.000 0.000 0.222 306 A C 1.064 178.758 177.584 0.182 0.000 1.368 306 A CA 1.608 53.680 52.037 0.059 0.000 0.707 306 A CB -0.889 18.119 19.000 0.015 0.000 0.846 306 A HN 0.326 nan 8.150 nan 0.000 0.468 307 V N 1.195 121.195 119.914 0.143 0.000 2.370 307 V HA 0.450 4.570 4.120 -0.000 0.000 0.279 307 V C 0.130 176.356 176.094 0.221 0.000 1.029 307 V CA 0.016 62.405 62.300 0.149 0.000 0.870 307 V CB 1.078 32.942 31.823 0.068 0.000 0.984 307 V HN 0.760 nan 8.190 nan 0.000 0.451 308 H N 3.157 122.266 119.070 0.064 0.000 2.885 308 H HA 0.422 4.978 4.556 -0.000 0.000 0.237 308 H C 0.841 176.215 175.328 0.077 0.000 1.229 308 H CA 0.272 56.383 56.048 0.106 0.000 0.947 308 H CB -0.163 29.674 29.762 0.125 0.000 2.223 308 H HN 0.532 nan 8.280 nan 0.000 0.628 309 A N 1.276 123.991 122.820 -0.176 0.000 1.873 309 A HA -0.115 4.205 4.320 -0.000 0.000 0.215 309 A C 2.349 179.881 177.584 -0.086 0.000 1.186 309 A CA 1.677 53.618 52.037 -0.160 0.000 0.616 309 A CB -0.241 18.685 19.000 -0.124 0.000 0.823 309 A HN 0.326 nan 8.150 nan 0.000 0.442 310 M N -0.474 119.088 119.600 -0.064 0.000 2.132 310 M HA -0.074 4.405 4.480 -0.000 0.000 0.263 310 M C 2.099 178.255 176.300 -0.241 0.000 1.065 310 M CA 1.645 56.851 55.300 -0.157 0.000 1.122 310 M CB -0.456 32.048 32.600 -0.160 0.000 1.365 310 M HN 0.380 nan 8.290 nan 0.000 0.411 311 R N 0.466 120.899 120.500 -0.111 0.000 2.105 311 R HA -0.168 4.172 4.340 -0.000 0.000 0.239 311 R C 1.327 177.640 176.300 0.021 0.000 1.135 311 R CA 2.129 58.240 56.100 0.018 0.000 0.967 311 R CB -1.028 29.464 30.300 0.320 0.000 0.861 311 R HN 0.484 nan 8.270 nan 0.000 0.442 312 D N -0.356 120.061 120.400 0.028 0.000 2.137 312 D HA -0.125 4.515 4.640 -0.000 0.000 0.202 312 D C 1.966 178.245 176.300 -0.035 0.000 0.970 312 D CA 0.754 54.768 54.000 0.023 0.000 0.837 312 D CB -0.283 40.544 40.800 0.045 0.000 0.981 312 D HN 0.117 nan 8.370 nan 0.000 0.475 313 R N 1.301 121.756 120.500 -0.074 0.000 2.105 313 R HA -0.076 4.264 4.340 -0.000 0.000 0.239 313 R C 2.262 178.487 176.300 -0.126 0.000 1.135 313 R CA 0.950 56.994 56.100 -0.093 0.000 0.967 313 R CB -0.750 29.485 30.300 -0.109 0.000 0.861 313 R HN 0.163 nan 8.270 nan 0.000 0.442 314 L N -0.198 120.916 121.223 -0.182 0.000 2.005 314 L HA -0.080 4.260 4.340 -0.000 0.000 0.207 314 L C 2.582 179.385 176.870 -0.111 0.000 1.072 314 L CA 1.684 56.387 54.840 -0.229 0.000 0.744 314 L CB -0.407 41.447 42.059 -0.341 0.000 0.895 314 L HN 0.184 nan 8.230 nan 0.000 0.433 315 R N -0.291 120.173 120.500 -0.061 0.000 2.241 315 R HA -0.171 4.169 4.340 -0.000 0.000 0.224 315 R C 2.079 178.367 176.300 -0.021 0.000 1.101 315 R CA 0.934 57.019 56.100 -0.025 0.000 0.995 315 R CB -0.128 30.172 30.300 -0.000 0.000 0.870 315 R HN 0.452 nan 8.270 nan 0.000 0.463 316 E N 0.263 120.445 120.200 -0.030 0.000 2.051 316 E HA -0.097 4.253 4.350 -0.000 0.000 0.189 316 E C 1.978 178.569 176.600 -0.015 0.000 0.979 316 E CA 0.892 57.280 56.400 -0.020 0.000 0.803 316 E CB 0.041 29.724 29.700 -0.027 0.000 0.761 316 E HN 0.341 nan 8.360 nan 0.000 0.451 317 A N 1.114 123.914 122.820 -0.032 0.000 1.898 317 A HA -0.080 4.240 4.320 -0.000 0.000 0.216 317 A C 2.312 179.917 177.584 0.036 0.000 1.181 317 A CA 1.602 53.631 52.037 -0.014 0.000 0.620 317 A CB -0.568 18.395 19.000 -0.062 0.000 0.819 317 A HN 0.333 nan 8.150 nan 0.000 0.442 318 A N -0.539 122.292 122.820 0.017 0.000 2.019 318 A HA -0.117 4.202 4.320 -0.000 0.000 0.219 318 A C 2.043 179.647 177.584 0.035 0.000 1.164 318 A CA 2.142 54.204 52.037 0.042 0.000 0.644 318 A CB -0.341 18.664 19.000 0.008 0.000 0.805 318 A HN 0.441 nan 8.150 nan 0.000 0.449 319 K N -0.436 119.976 120.400 0.019 0.000 2.057 319 K HA -0.078 4.242 4.320 -0.000 0.000 0.206 319 K C 2.048 178.662 176.600 0.023 0.000 1.050 319 K CA 2.170 58.464 56.287 0.011 0.000 0.935 319 K CB -0.345 32.158 32.500 0.005 0.000 0.715 319 K HN 0.551 nan 8.250 nan 0.000 0.439 320 T N -1.114 113.467 114.554 0.044 0.000 2.755 320 T HA -0.075 4.275 4.350 -0.000 0.000 0.251 320 T C 0.353 175.112 174.700 0.099 0.000 1.044 320 T CA 0.535 62.672 62.100 0.060 0.000 1.154 320 T CB -0.526 68.381 68.868 0.064 0.000 0.866 320 T HN 0.096 nan 8.240 nan 0.000 0.416 321 Y N 3.993 124.289 120.300 -0.006 0.000 2.544 321 Y HA 0.120 4.670 4.550 -0.000 0.000 0.330 321 Y C 1.650 177.552 175.900 0.003 0.000 1.136 321 Y CA -1.388 56.712 58.100 0.001 0.000 1.417 321 Y CB 0.463 38.925 38.460 0.005 0.000 1.229 321 Y HN 0.362 nan 8.280 nan 0.000 0.532 322 E N 2.027 121.986 120.200 -0.401 0.000 2.046 322 E HA -0.187 4.163 4.350 -0.000 0.000 0.190 322 E C 0.234 176.644 176.600 -0.318 0.000 0.982 322 E CA 1.283 57.504 56.400 -0.298 0.000 0.800 322 E CB -0.364 29.185 29.700 -0.252 0.000 0.756 322 E HN 0.747 nan 8.360 nan 0.000 0.449 323 N N 0.786 119.108 118.700 -0.629 0.000 2.652 323 N HA 0.111 4.851 4.740 -0.000 0.000 0.259 323 N C -1.057 174.500 175.510 0.078 0.000 1.240 323 N CA -0.317 52.570 53.050 -0.271 0.000 0.951 323 N CB 0.132 38.473 38.487 -0.244 0.000 1.281 323 N HN 0.089 nan 8.380 nan 0.000 0.507 324 L N 0.590 121.894 121.223 0.135 0.000 2.376 324 L HA 0.437 4.777 4.340 -0.000 0.000 0.275 324 L C -1.418 175.537 176.870 0.141 0.000 0.987 324 L CA -0.661 54.336 54.840 0.262 0.000 0.828 324 L CB 1.508 43.801 42.059 0.390 0.000 1.249 324 L HN -0.109 nan 8.230 nan 0.000 0.409 325 D N 4.226 124.720 120.400 0.157 0.000 2.185 325 D HA 0.616 5.256 4.640 -0.000 0.000 0.247 325 D C -1.165 175.181 176.300 0.078 0.000 1.027 325 D CA 0.052 54.091 54.000 0.066 0.000 0.861 325 D CB 2.346 43.239 40.800 0.154 0.000 1.202 325 D HN 0.433 nan 8.370 nan 0.000 0.453 326 L N 2.415 123.542 121.223 -0.160 0.000 2.386 326 L HA 0.642 4.982 4.340 -0.000 0.000 0.271 326 L C -1.871 174.813 176.870 -0.309 0.000 0.993 326 L CA -0.496 54.337 54.840 -0.012 0.000 0.819 326 L CB 1.148 43.234 42.059 0.045 0.000 1.294 326 L HN 0.214 nan 8.230 nan 0.000 0.414 327 F N 3.951 124.120 119.950 0.364 0.000 2.565 327 F HA 0.737 5.264 4.527 -0.000 0.000 0.313 327 F C -0.447 175.638 175.800 0.474 0.000 1.091 327 F CA -0.892 57.337 58.000 0.381 0.000 0.915 327 F CB 2.322 41.599 39.000 0.462 0.000 1.208 327 F HN 0.126 nan 8.300 nan 0.000 0.453 328 V N 3.279 123.504 119.914 0.518 0.000 2.540 328 V HA 0.488 4.607 4.120 -0.000 0.000 0.302 328 V C -1.015 175.320 176.094 0.401 0.000 1.035 328 V CA -0.887 61.718 62.300 0.508 0.000 0.873 328 V CB 1.782 33.819 31.823 0.356 0.000 0.992 328 V HN 0.492 nan 8.190 nan 0.000 0.428 329 F N 3.554 123.711 119.950 0.344 0.000 2.495 329 F HA 0.680 5.207 4.527 -0.000 0.000 0.327 329 F C -0.648 175.360 175.800 0.346 0.000 1.103 329 F CA -0.791 57.392 58.000 0.304 0.000 0.949 329 F CB 1.876 41.026 39.000 0.250 0.000 1.142 329 F HN 0.321 nan 8.300 nan 0.000 0.457 330 Y N 2.968 123.278 120.300 0.017 0.000 2.338 330 Y HA 0.165 4.714 4.550 -0.000 0.000 0.328 330 Y C 1.092 176.936 175.900 -0.094 0.000 0.965 330 Y CA -1.962 56.029 58.100 -0.181 0.000 1.208 330 Y CB 1.014 39.097 38.460 -0.628 0.000 1.132 330 Y HN 0.640 nan 8.280 nan 0.000 0.469 331 D N 1.168 121.628 120.400 0.100 0.000 2.312 331 D HA -0.127 4.513 4.640 -0.000 0.000 0.211 331 D C -0.110 176.213 176.300 0.038 0.000 0.964 331 D CA 0.734 54.785 54.000 0.084 0.000 0.877 331 D CB 0.390 41.232 40.800 0.070 0.000 0.924 331 D HN 0.700 nan 8.370 nan 0.000 0.515 332 Q N 0.050 119.845 119.800 -0.008 0.000 3.712 332 Q HA 0.323 4.663 4.340 -0.000 0.000 0.242 332 Q C -2.926 173.049 176.000 -0.041 0.000 0.837 332 Q CA -1.503 54.292 55.803 -0.014 0.000 0.826 332 Q CB 1.084 29.814 28.738 -0.013 0.000 1.529 332 Q HN -0.022 nan 8.270 nan 0.000 0.405 333 P HA -0.025 nan 4.420 nan 0.000 0.270 333 P C -0.137 177.192 177.300 0.048 0.000 1.221 333 P CA 0.010 63.117 63.100 0.013 0.000 0.788 333 P CB 1.265 32.927 31.700 -0.064 0.000 0.904 334 L N 2.056 123.332 121.223 0.088 0.000 2.431 334 L HA 0.234 4.574 4.340 -0.000 0.000 0.260 334 L C -1.118 175.806 176.870 0.090 0.000 1.098 334 L CA -2.002 52.879 54.840 0.069 0.000 0.800 334 L CB 0.368 42.459 42.059 0.055 0.000 1.210 334 L HN 0.212 nan 8.230 nan 0.000 0.465 335 P HA -0.173 nan 4.420 nan 0.000 0.218 335 P C 0.905 178.244 177.300 0.065 0.000 1.148 335 P CA 0.986 64.121 63.100 0.059 0.000 0.822 335 P CB 0.138 31.861 31.700 0.040 0.000 0.784 336 E N -1.060 119.178 120.200 0.064 0.000 2.435 336 E HA -0.026 4.324 4.350 -0.000 0.000 0.195 336 E C -0.167 176.485 176.600 0.088 0.000 1.029 336 E CA 0.585 57.020 56.400 0.058 0.000 0.865 336 E CB -0.533 29.191 29.700 0.040 0.000 0.833 336 E HN 0.248 nan 8.360 nan 0.000 0.510 337 D N 1.724 122.214 120.400 0.148 0.000 2.308 337 D HA 0.263 4.903 4.640 -0.000 0.000 0.251 337 D C -0.535 175.910 176.300 0.241 0.000 1.127 337 D CA -0.219 53.932 54.000 0.252 0.000 0.876 337 D CB 2.255 43.311 40.800 0.427 0.000 1.176 337 D HN -0.138 nan 8.370 nan 0.000 0.446 338 V N 2.670 122.639 119.914 0.092 0.000 2.588 338 V HA 0.161 4.281 4.120 -0.000 0.000 0.304 338 V C 0.420 176.246 176.094 -0.447 0.000 1.042 338 V CA -0.940 61.317 62.300 -0.072 0.000 0.877 338 V CB 1.973 33.753 31.823 -0.072 0.000 0.996 338 V HN 0.463 nan 8.190 nan 0.000 0.425 339 Q N 2.009 121.429 119.800 -0.633 0.000 2.469 339 Q HA 0.267 4.606 4.340 -0.000 0.000 0.279 339 Q C 1.423 177.054 176.000 -0.615 0.000 1.097 339 Q CA 1.722 56.925 55.803 -1.001 0.000 0.951 339 Q CB 0.360 28.785 28.738 -0.520 0.000 1.297 339 Q HN 1.277 nan 8.270 nan 0.000 0.465 340 G N 1.774 110.216 108.800 -0.596 0.000 2.284 340 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.261 340 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.261 340 G C 0.702 175.425 174.900 -0.296 0.000 0.997 340 G CA 1.078 45.955 45.100 -0.373 0.000 0.621 340 G HN 0.789 nan 8.290 nan 0.000 0.534 341 R N -1.706 118.598 120.500 -0.328 0.000 2.493 341 R HA 0.277 4.617 4.340 -0.000 0.000 0.177 341 R C 1.323 177.525 176.300 -0.164 0.000 0.861 341 R CA 0.649 56.629 56.100 -0.200 0.000 1.083 341 R CB -0.344 29.870 30.300 -0.142 0.000 1.328 341 R HN 0.130 nan 8.270 nan 0.000 0.615 342 D N 0.425 120.712 120.400 -0.188 0.000 2.305 342 D HA 0.103 4.743 4.640 -0.000 0.000 0.206 342 D C 0.035 176.261 176.300 -0.123 0.000 0.974 342 D CA 1.019 54.998 54.000 -0.033 0.000 0.871 342 D CB 0.347 41.238 40.800 0.151 0.000 0.947 342 D HN 0.333 nan 8.370 nan 0.000 0.516 343 Y N -2.795 117.259 120.300 -0.410 0.000 2.788 343 Y HA 0.350 4.899 4.550 -0.000 0.000 0.335 343 Y C -0.240 175.438 175.900 -0.371 0.000 1.287 343 Y CA -0.992 56.793 58.100 -0.525 0.000 1.068 343 Y CB 0.542 38.322 38.460 -1.133 0.000 1.340 343 Y HN -0.415 nan 8.280 nan 0.000 0.449 344 D N -0.471 119.805 120.400 -0.208 0.000 2.431 344 D HA 0.121 4.761 4.640 -0.000 0.000 0.235 344 D C -0.799 175.047 176.300 -0.757 0.000 0.980 344 D CA 1.252 54.955 54.000 -0.496 0.000 0.912 344 D CB 0.682 41.302 40.800 -0.301 0.000 1.056 344 D HN 0.429 nan 8.370 nan 0.000 0.494 345 Y N 0.177 120.341 120.300 -0.226 0.000 2.524 345 Y HA 0.347 4.896 4.550 -0.000 0.000 0.347 345 Y C -2.306 173.577 175.900 -0.029 0.000 1.005 345 Y CA -2.307 55.637 58.100 -0.259 0.000 1.025 345 Y CB 2.277 40.281 38.460 -0.760 0.000 1.275 345 Y HN -0.217 nan 8.280 nan 0.000 0.460 346 P HA 0.441 nan 4.420 nan 0.000 0.278 346 P C 0.217 177.695 177.300 0.297 0.000 1.258 346 P CA 0.379 63.604 63.100 0.208 0.000 0.811 346 P CB 1.794 33.617 31.700 0.205 0.000 1.063 347 G N 0.165 109.104 108.800 0.232 0.000 2.725 347 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.220 347 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.220 347 G C -0.785 174.284 174.900 0.283 0.000 1.357 347 G CA -0.597 44.641 45.100 0.230 0.000 0.866 347 G HN 0.554 nan 8.290 nan 0.000 0.548 348 L N -0.184 121.151 121.223 0.187 0.000 2.453 348 L HA 0.406 4.746 4.340 -0.000 0.000 0.261 348 L C 1.413 178.266 176.870 -0.029 0.000 1.179 348 L CA -0.942 53.976 54.840 0.131 0.000 0.813 348 L CB 0.919 43.054 42.059 0.126 0.000 1.110 348 L HN 0.525 nan 8.230 nan 0.000 0.466 349 V N 1.341 121.136 119.914 -0.199 0.000 2.539 349 V HA -0.114 4.006 4.120 -0.000 0.000 0.300 349 V C -0.017 175.761 176.094 -0.526 0.000 1.019 349 V CA 0.669 62.501 62.300 -0.780 0.000 1.160 349 V CB 0.286 31.932 31.823 -0.296 0.000 0.901 349 V HN 0.640 nan 8.190 nan 0.000 0.481 350 D N 4.019 124.043 120.400 -0.628 0.000 2.420 350 D HA 0.272 4.912 4.640 -0.000 0.000 0.255 350 D C 0.703 176.873 176.300 -0.218 0.000 1.185 350 D CA -0.363 53.494 54.000 -0.239 0.000 0.904 350 D CB 1.758 42.540 40.800 -0.030 0.000 1.102 350 D HN 0.296 nan 8.370 nan 0.000 0.534 351 V N 2.287 122.066 119.914 -0.224 0.000 2.688 351 V HA -0.153 3.967 4.120 -0.000 0.000 0.256 351 V C 1.760 177.767 176.094 -0.146 0.000 1.084 351 V CA 1.184 63.374 62.300 -0.183 0.000 1.103 351 V CB -0.641 31.073 31.823 -0.181 0.000 0.688 351 V HN 0.339 nan 8.190 nan 0.000 0.480 352 K N 0.233 120.558 120.400 -0.126 0.000 2.362 352 K HA -0.060 4.260 4.320 -0.000 0.000 0.200 352 K C 2.108 178.652 176.600 -0.094 0.000 1.046 352 K CA 1.458 57.687 56.287 -0.097 0.000 0.952 352 K CB -0.130 32.324 32.500 -0.076 0.000 0.753 352 K HN 0.666 nan 8.250 nan 0.000 0.466 353 Q N 0.201 119.926 119.800 -0.124 0.000 2.392 353 Q HA 0.102 4.442 4.340 -0.000 0.000 0.203 353 Q C 1.177 177.028 176.000 -0.249 0.000 0.917 353 Q CA 0.417 56.112 55.803 -0.179 0.000 0.939 353 Q CB 0.432 29.006 28.738 -0.274 0.000 1.063 353 Q HN 0.421 nan 8.270 nan 0.000 0.516 354 I N -3.856 116.574 120.570 -0.234 0.000 3.621 354 I HA 0.293 4.463 4.170 -0.000 0.000 0.325 354 I C 0.677 176.684 176.117 -0.183 0.000 1.554 354 I CA -0.274 60.858 61.300 -0.281 0.000 1.053 354 I CB 0.387 38.058 38.000 -0.548 0.000 1.302 354 I HN -0.119 nan 8.210 nan 0.000 0.518 355 E N 2.948 123.082 120.200 -0.111 0.000 2.070 355 E HA -0.236 4.114 4.350 -0.000 0.000 0.197 355 E C 1.805 178.385 176.600 -0.033 0.000 1.004 355 E CA 2.024 58.384 56.400 -0.067 0.000 0.805 355 E CB 0.040 29.707 29.700 -0.055 0.000 0.744 355 E HN 0.572 nan 8.360 nan 0.000 0.451 356 K N 0.500 120.889 120.400 -0.018 0.000 2.152 356 K HA -0.109 4.211 4.320 -0.000 0.000 0.206 356 K C 1.928 178.549 176.600 0.035 0.000 1.048 356 K CA 1.525 57.822 56.287 0.016 0.000 0.933 356 K CB -0.383 32.139 32.500 0.036 0.000 0.721 356 K HN -0.048 nan 8.250 nan 0.000 0.447 357 S N 1.123 116.832 115.700 0.015 0.000 2.446 357 S HA 0.064 4.533 4.470 -0.000 0.000 0.225 357 S C 2.022 176.658 174.600 0.061 0.000 1.016 357 S CA 0.860 59.098 58.200 0.063 0.000 0.943 357 S CB -0.241 62.974 63.200 0.024 0.000 0.786 357 S HN 0.581 nan 8.310 nan 0.000 0.508 358 I N -2.432 118.152 120.570 0.024 0.000 3.854 358 I HA 0.279 4.449 4.170 -0.000 0.000 0.312 358 I C 0.339 176.544 176.117 0.147 0.000 1.273 358 I CA 0.126 61.484 61.300 0.096 0.000 1.298 358 I CB -0.008 38.062 38.000 0.118 0.000 1.071 358 I HN -0.002 nan 8.210 nan 0.000 0.428 359 L N 3.699 124.972 121.223 0.084 0.000 2.416 359 L HA 0.275 4.615 4.340 -0.000 0.000 0.243 359 L C -0.535 176.375 176.870 0.066 0.000 1.373 359 L CA 0.188 55.076 54.840 0.079 0.000 1.227 359 L CB -0.602 41.472 42.059 0.025 0.000 1.428 359 L HN 0.256 nan 8.230 nan 0.000 0.425 360 L N 3.570 124.839 121.223 0.077 0.000 2.307 360 L HA 0.474 4.813 4.340 -0.000 0.000 0.282 360 L C -1.597 175.293 176.870 0.032 0.000 1.051 360 L CA -1.943 52.922 54.840 0.041 0.000 0.804 360 L CB 0.755 42.826 42.059 0.021 0.000 1.197 360 L HN 0.209 nan 8.230 nan 0.000 0.431 361 P HA 0.059 nan 4.420 nan 0.000 0.267 361 P C -0.433 176.870 177.300 0.004 0.000 1.205 361 P CA 0.027 63.132 63.100 0.008 0.000 0.765 361 P CB 0.601 32.304 31.700 0.006 0.000 0.828 362 D N -0.433 119.966 120.400 -0.002 0.000 2.981 362 D HA -0.163 4.477 4.640 -0.000 0.000 0.223 362 D C 0.214 176.514 176.300 -0.000 0.000 1.151 362 D CA 1.452 55.453 54.000 0.001 0.000 0.827 362 D CB -1.242 39.562 40.800 0.006 0.000 1.101 362 D HN 0.634 nan 8.370 nan 0.000 0.426 363 A N -0.033 122.777 122.820 -0.017 0.000 2.304 363 A HA 0.511 4.831 4.320 -0.000 0.000 0.271 363 A C 0.197 177.699 177.584 -0.135 0.000 1.091 363 A CA -0.165 51.798 52.037 -0.123 0.000 0.812 363 A CB 0.818 19.646 19.000 -0.286 0.000 1.056 363 A HN 0.128 nan 8.150 nan 0.000 0.489 364 D N -0.193 120.097 120.400 -0.185 0.000 2.362 364 D HA 0.483 5.123 4.640 -0.000 0.000 0.247 364 D C -1.565 174.544 176.300 -0.317 0.000 1.050 364 D CA 0.338 54.289 54.000 -0.082 0.000 0.839 364 D CB 1.408 42.279 40.800 0.117 0.000 1.283 364 D HN 0.404 nan 8.370 nan 0.000 0.477 365 Y N 1.195 121.379 120.300 -0.193 0.000 2.335 365 Y HA 0.339 4.889 4.550 -0.000 0.000 0.338 365 Y C -0.466 175.287 175.900 -0.245 0.000 0.977 365 Y CA -0.802 57.220 58.100 -0.129 0.000 1.114 365 Y CB 1.015 39.406 38.460 -0.115 0.000 1.182 365 Y HN 0.205 nan 8.280 nan 0.000 0.463 366 Y N 3.708 124.194 120.300 0.310 0.000 2.328 366 Y HA 0.627 5.176 4.550 -0.000 0.000 0.336 366 Y C -0.373 175.766 175.900 0.399 0.000 0.960 366 Y CA -1.041 57.307 58.100 0.414 0.000 1.134 366 Y CB 1.132 39.703 38.460 0.186 0.000 1.166 366 Y HN 0.388 nan 8.280 nan 0.000 0.464 367 I N 4.342 125.236 120.570 0.540 0.000 2.433 367 I HA 0.646 4.816 4.170 -0.000 0.000 0.292 367 I C -0.523 175.779 176.117 0.307 0.000 1.001 367 I CA -0.764 60.743 61.300 0.346 0.000 1.119 367 I CB 1.345 39.430 38.000 0.142 0.000 1.289 367 I HN 0.691 nan 8.210 nan 0.000 0.438 368 C N 2.901 122.399 119.300 0.329 0.000 3.171 368 C HA 1.069 5.528 4.460 -0.000 0.000 0.308 368 C C 0.168 175.303 174.990 0.242 0.000 1.334 368 C CA -0.180 58.985 59.018 0.245 0.000 1.473 368 C CB 0.963 28.919 27.740 0.360 0.000 1.866 368 C HN 1.251 nan 8.230 nan 0.000 0.465 369 G N 1.085 109.958 108.800 0.121 0.000 2.302 369 G HA2 0.385 4.345 3.960 -0.000 0.000 0.276 369 G HA3 0.385 4.345 3.960 -0.000 0.000 0.276 369 G C -3.559 171.298 174.900 -0.073 0.000 1.316 369 G CA -0.683 44.381 45.100 -0.060 0.000 0.988 369 G HN 0.664 nan 8.290 nan 0.000 0.479 370 P HA 0.331 nan 4.420 nan 0.000 0.269 370 P C 1.266 178.613 177.300 0.079 0.000 1.217 370 P CA -0.321 62.698 63.100 -0.135 0.000 0.783 370 P CB 0.461 32.098 31.700 -0.104 0.000 0.898 371 I N 2.875 123.494 120.570 0.083 0.000 2.163 371 I HA -0.205 3.965 4.170 -0.000 0.000 0.243 371 I C -0.736 175.436 176.117 0.091 0.000 1.085 371 I CA 1.999 63.361 61.300 0.104 0.000 1.347 371 I CB -1.540 36.517 38.000 0.095 0.000 1.044 371 I HN 0.443 nan 8.210 nan 0.000 0.408 372 P HA -0.206 nan 4.420 nan 0.000 0.216 372 P C 1.692 179.027 177.300 0.057 0.000 1.150 372 P CA 1.387 64.532 63.100 0.075 0.000 0.837 372 P CB -0.087 31.677 31.700 0.107 0.000 0.786 373 F N -0.221 119.710 119.950 -0.031 0.000 2.102 373 F HA -0.167 4.360 4.527 -0.000 0.000 0.298 373 F C 2.143 177.881 175.800 -0.104 0.000 1.105 373 F CA 1.679 59.644 58.000 -0.058 0.000 1.239 373 F CB -0.738 38.231 39.000 -0.053 0.000 0.991 373 F HN -0.239 nan 8.300 nan 0.000 0.474 374 M N -0.129 119.435 119.600 -0.060 0.000 2.159 374 M HA -0.208 4.272 4.480 -0.000 0.000 0.263 374 M C 2.273 178.254 176.300 -0.531 0.000 1.063 374 M CA 1.741 56.872 55.300 -0.282 0.000 1.110 374 M CB -0.482 32.083 32.600 -0.059 0.000 1.374 374 M HN 0.099 nan 8.290 nan 0.000 0.411 375 R N -0.064 120.224 120.500 -0.353 0.000 2.075 375 R HA -0.103 4.237 4.340 -0.000 0.000 0.232 375 R C 2.286 178.432 176.300 -0.257 0.000 1.126 375 R CA 1.543 57.450 56.100 -0.321 0.000 0.963 375 R CB -0.446 29.761 30.300 -0.154 0.000 0.858 375 R HN 0.423 nan 8.270 nan 0.000 0.435 376 M N 0.783 120.225 119.600 -0.262 0.000 2.065 376 M HA -0.232 4.248 4.480 -0.000 0.000 0.259 376 M C 1.766 177.870 176.300 -0.326 0.000 1.069 376 M CA 1.715 56.860 55.300 -0.258 0.000 1.110 376 M CB 0.046 32.490 32.600 -0.260 0.000 1.328 376 M HN 0.033 nan 8.290 nan 0.000 0.405 377 Q N -0.579 118.926 119.800 -0.492 0.000 2.119 377 Q HA -0.213 4.127 4.340 -0.000 0.000 0.201 377 Q C 2.111 177.900 176.000 -0.351 0.000 0.972 377 Q CA 1.688 57.210 55.803 -0.469 0.000 0.847 377 Q CB -1.143 27.227 28.738 -0.613 0.000 0.903 377 Q HN 0.733 nan 8.270 nan 0.000 0.433 378 H N 1.779 120.577 119.070 -0.452 0.000 2.290 378 H HA -0.141 4.415 4.556 -0.000 0.000 0.298 378 H C 0.883 176.039 175.328 -0.287 0.000 1.087 378 H CA 1.820 57.632 56.048 -0.393 0.000 1.291 378 H CB 0.265 29.722 29.762 -0.509 0.000 1.369 378 H HN 0.139 nan 8.280 nan 0.000 0.492 379 D N 0.745 121.116 120.400 -0.049 0.000 2.144 379 D HA -0.070 4.570 4.640 -0.000 0.000 0.199 379 D C 2.324 178.508 176.300 -0.193 0.000 0.984 379 D CA 1.249 55.204 54.000 -0.074 0.000 0.834 379 D CB -0.546 40.236 40.800 -0.030 0.000 0.955 379 D HN 0.513 nan 8.370 nan 0.000 0.465 380 A N 0.831 123.518 122.820 -0.222 0.000 1.902 380 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 380 A C 2.381 179.807 177.584 -0.262 0.000 1.181 380 A CA 0.924 52.827 52.037 -0.222 0.000 0.623 380 A CB -0.771 18.088 19.000 -0.235 0.000 0.818 380 A HN 0.204 nan 8.150 nan 0.000 0.443 381 L N -0.827 120.188 121.223 -0.347 0.000 2.093 381 L HA -0.162 4.177 4.340 -0.000 0.000 0.208 381 L C 2.495 179.142 176.870 -0.372 0.000 1.085 381 L CA 1.111 55.696 54.840 -0.425 0.000 0.755 381 L CB -0.439 41.268 42.059 -0.587 0.000 0.904 381 L HN 0.226 nan 8.230 nan 0.000 0.435 382 K N 0.177 120.356 120.400 -0.368 0.000 2.057 382 K HA -0.112 4.208 4.320 -0.000 0.000 0.207 382 K C 1.782 178.274 176.600 -0.180 0.000 1.049 382 K CA 1.071 57.193 56.287 -0.275 0.000 0.931 382 K CB -0.598 31.742 32.500 -0.267 0.000 0.714 382 K HN 0.332 nan 8.250 nan 0.000 0.440 383 N N 1.018 119.616 118.700 -0.171 0.000 2.364 383 N HA -0.104 4.635 4.740 -0.000 0.000 0.183 383 N C 1.465 176.903 175.510 -0.121 0.000 1.022 383 N CA 0.671 53.645 53.050 -0.127 0.000 0.883 383 N CB -0.041 38.375 38.487 -0.119 0.000 0.965 383 N HN 0.206 nan 8.380 nan 0.000 0.438 384 L N -0.341 120.789 121.223 -0.155 0.000 2.629 384 L HA 0.193 4.533 4.340 -0.000 0.000 0.230 384 L C 1.058 177.853 176.870 -0.125 0.000 1.151 384 L CA -0.026 54.730 54.840 -0.139 0.000 0.924 384 L CB -0.313 41.643 42.059 -0.171 0.000 1.137 384 L HN 0.145 nan 8.230 nan 0.000 0.457 385 G N 0.411 109.145 108.800 -0.110 0.000 2.143 385 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.248 385 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.248 385 G C 0.261 175.114 174.900 -0.079 0.000 0.991 385 G CA -0.370 44.691 45.100 -0.065 0.000 0.689 385 G HN 0.172 nan 8.290 nan 0.000 0.522 386 I N 1.413 121.886 120.570 -0.162 0.000 2.474 386 I HA 0.239 4.409 4.170 -0.000 0.000 0.287 386 I C 1.145 177.226 176.117 -0.060 0.000 1.048 386 I CA -0.624 60.550 61.300 -0.210 0.000 1.383 386 I CB 0.175 37.927 38.000 -0.412 0.000 1.412 386 I HN 0.193 nan 8.210 nan 0.000 0.531 387 H N 3.575 122.567 119.070 -0.130 0.000 2.629 387 H HA 0.023 4.579 4.556 -0.000 0.000 0.357 387 H C 0.675 175.924 175.328 -0.132 0.000 1.121 387 H CA -0.481 55.503 56.048 -0.108 0.000 1.406 387 H CB 1.500 31.225 29.762 -0.061 0.000 1.456 387 H HN 0.491 nan 8.280 nan 0.000 0.579 388 E N 2.448 122.660 120.200 0.020 0.000 2.086 388 E HA -0.226 4.124 4.350 -0.000 0.000 0.200 388 E C 2.095 178.674 176.600 -0.035 0.000 1.012 388 E CA 1.729 58.122 56.400 -0.011 0.000 0.812 388 E CB -0.344 29.371 29.700 0.025 0.000 0.743 388 E HN 0.744 nan 8.360 nan 0.000 0.453 389 A N 0.125 122.945 122.820 -0.000 0.000 2.131 389 A HA -0.155 4.165 4.320 -0.000 0.000 0.220 389 A C 1.806 179.336 177.584 -0.091 0.000 1.158 389 A CA 1.302 53.335 52.037 -0.007 0.000 0.665 389 A CB -0.300 18.727 19.000 0.046 0.000 0.795 389 A HN 0.045 nan 8.150 nan 0.000 0.460 390 R N -0.806 119.620 120.500 -0.123 0.000 2.334 390 R HA 0.339 4.678 4.340 -0.000 0.000 0.216 390 R C -0.270 175.785 176.300 -0.408 0.000 0.905 390 R CA 0.124 56.122 56.100 -0.169 0.000 1.064 390 R CB -0.143 30.161 30.300 0.007 0.000 1.046 390 R HN 0.497 nan 8.270 nan 0.000 0.508 391 I N 1.891 122.170 120.570 -0.486 0.000 2.354 391 I HA 0.226 4.396 4.170 -0.000 0.000 0.292 391 I C -0.205 175.624 176.117 -0.481 0.000 0.989 391 I CA -0.513 60.557 61.300 -0.383 0.000 1.188 391 I CB 1.298 39.175 38.000 -0.204 0.000 1.342 391 I HN -0.071 nan 8.210 nan 0.000 0.457 392 H N 6.643 125.753 119.070 0.068 0.000 2.689 392 H HA 0.459 5.015 4.556 -0.000 0.000 0.346 392 H C -1.444 174.158 175.328 0.456 0.000 1.037 392 H CA -0.620 55.540 56.048 0.187 0.000 1.234 392 H CB 1.897 31.651 29.762 -0.015 0.000 1.572 392 H HN 0.597 nan 8.280 nan 0.000 0.524 393 Y N -0.018 120.419 120.300 0.227 0.000 2.571 393 Y HA 0.676 5.226 4.550 -0.000 0.000 0.341 393 Y C -1.140 174.555 175.900 -0.341 0.000 1.076 393 Y CA -1.075 56.966 58.100 -0.098 0.000 1.029 393 Y CB 2.086 40.522 38.460 -0.039 0.000 1.308 393 Y HN 0.554 nan 8.280 nan 0.000 0.461 394 E N 0.535 120.333 120.200 -0.670 0.000 2.392 394 E HA 0.488 4.838 4.350 -0.000 0.000 0.281 394 E C -2.114 174.286 176.600 -0.333 0.000 1.088 394 E CA -0.758 55.326 56.400 -0.527 0.000 0.850 394 E CB 2.141 31.555 29.700 -0.477 0.000 1.267 394 E HN 0.725 nan 8.360 nan 0.000 0.438 395 V N 3.592 123.415 119.914 -0.153 0.000 2.529 395 V HA 0.189 4.309 4.120 -0.000 0.000 0.292 395 V C 0.010 176.166 176.094 0.104 0.000 1.028 395 V CA 0.636 62.916 62.300 -0.033 0.000 1.074 395 V CB -0.172 31.614 31.823 -0.062 0.000 0.958 395 V HN 0.576 nan 8.190 nan 0.000 0.481 396 F N 4.952 124.882 119.950 -0.034 0.000 2.513 396 F HA 0.657 5.184 4.527 -0.000 0.000 0.358 396 F C 0.509 176.366 175.800 0.095 0.000 1.118 396 F CA 0.251 58.299 58.000 0.080 0.000 1.037 396 F CB 0.986 40.083 39.000 0.162 0.000 1.276 396 F HN 0.845 nan 8.300 nan 0.000 0.446 397 G N 5.869 114.707 108.800 0.063 0.000 2.661 397 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.685 397 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.685 397 G C -2.483 172.436 174.900 0.032 0.000 1.298 397 G CA -0.482 44.576 45.100 -0.070 0.000 0.855 397 G HN 0.445 nan 8.290 nan 0.000 0.560 398 P HA 0.155 nan 4.420 nan 0.000 0.236 398 P C 0.141 177.492 177.300 0.086 0.000 1.177 398 P CA 1.674 64.834 63.100 0.100 0.000 0.773 398 P CB 0.389 32.155 31.700 0.111 0.000 0.878 399 D N -0.298 120.128 120.400 0.044 0.000 2.365 399 D HA 0.156 4.796 4.640 -0.000 0.000 0.235 399 D C 0.602 176.886 176.300 -0.028 0.000 1.368 399 D CA -0.360 53.676 54.000 0.060 0.000 1.001 399 D CB 0.406 41.258 40.800 0.086 0.000 1.364 399 D HN -0.202 nan 8.370 nan 0.000 0.577 400 L N 2.277 123.402 121.223 -0.163 0.000 2.627 400 L HA 0.239 4.579 4.340 -0.000 0.000 0.233 400 L C 0.358 176.779 176.870 -0.748 0.000 1.144 400 L CA 0.351 54.922 54.840 -0.448 0.000 0.892 400 L CB -0.270 41.441 42.059 -0.579 0.000 1.039 400 L HN 0.346 nan 8.230 nan 0.000 0.442 401 F N -1.294 118.658 119.950 0.003 0.000 2.835 401 F HA 0.376 4.903 4.527 -0.000 0.000 0.342 401 F C 1.720 177.519 175.800 -0.002 0.000 1.202 401 F CA -0.283 57.710 58.000 -0.011 0.000 1.240 401 F CB -0.229 38.767 39.000 -0.008 0.000 1.005 401 F HN -0.091 nan 8.300 nan 0.000 0.507 402 A N -0.188 122.687 122.820 0.092 0.000 1.908 402 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 402 A C 1.085 178.717 177.584 0.080 0.000 1.181 402 A CA 1.820 53.906 52.037 0.081 0.000 0.627 402 A CB -0.136 18.896 19.000 0.053 0.000 0.818 402 A HN 0.493 nan 8.150 nan 0.000 0.445 403 E N 0.000 120.249 120.200 0.081 0.000 2.725 403 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 403 E CA 0.000 56.448 56.400 0.080 0.000 0.976 403 E CB 0.000 29.794 29.700 0.157 0.000 0.812 403 E HN 0.000 nan 8.360 nan 0.000 0.440