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 1yty_1_B DATA FIRST_RESID 7 DATA SEQUENCE NEKXAALEAK ICHQIEYYFG DFNLPRDKFL KEQIKLDEGW VPLEIXIKFN DATA SEQUENCE RLNRLTTDFN VIVEALSKSK AELXEISEDK TKIRRSPSKP LPEVTDEYKN DATA SEQUENCE DVKNRSVYIK GFPTDATLDD IKEWLEDKGQ VLNIQXRRTL HKAFKGSIFV DATA SEQUENCE VFDSIESAKK FVETPGQKYK ETDLLILFKD DYF 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 7 N HA 0.000 nan 4.740 nan 0.000 0.220 7 N C 0.000 175.509 175.510 -0.001 0.000 1.280 7 N CA 0.000 53.050 53.050 -0.001 0.000 0.885 7 N CB 0.000 38.487 38.487 -0.000 0.000 1.341 8 E N 1.839 122.039 120.200 -0.001 0.000 2.110 8 E HA -0.020 4.331 4.350 0.002 0.000 0.193 8 E C 0.392 176.992 176.600 -0.001 0.000 0.988 8 E CA 1.007 57.406 56.400 -0.001 0.000 0.804 8 E CB 0.197 29.898 29.700 0.001 0.000 0.745 8 E HN 0.254 nan 8.360 nan 0.000 0.458 12 A N -0.207 122.604 122.820 -0.014 0.000 2.014 12 A HA 0.274 4.595 4.320 0.002 0.000 0.218 12 A C 1.944 179.517 177.584 -0.018 0.000 1.163 12 A CA 1.769 53.798 52.037 -0.013 0.000 0.652 12 A CB -0.425 18.574 19.000 -0.001 0.000 0.808 12 A HN 1.037 nan 8.150 nan 0.000 0.449 13 L N 0.256 121.471 121.223 -0.013 0.000 2.027 13 L HA -0.092 4.249 4.340 0.002 0.000 0.206 13 L C 2.124 178.978 176.870 -0.025 0.000 1.074 13 L CA 2.297 57.131 54.840 -0.010 0.000 0.745 13 L CB -0.758 41.301 42.059 -0.000 0.000 0.898 13 L HN 0.502 nan 8.230 nan 0.000 0.433 14 E N -0.423 119.757 120.200 -0.032 0.000 2.085 14 E HA -0.236 4.115 4.350 0.002 0.000 0.194 14 E C 2.172 178.709 176.600 -0.105 0.000 0.994 14 E CA 1.149 57.520 56.400 -0.049 0.000 0.801 14 E CB -0.336 29.342 29.700 -0.036 0.000 0.743 14 E HN 0.641 nan 8.360 nan 0.000 0.453 15 A N 1.828 124.570 122.820 -0.131 0.000 1.873 15 A HA -0.292 4.029 4.320 0.002 0.000 0.218 15 A C 1.996 179.361 177.584 -0.364 0.000 1.193 15 A CA 1.918 53.793 52.037 -0.271 0.000 0.629 15 A CB -0.437 18.459 19.000 -0.175 0.000 0.826 15 A HN 0.069 nan 8.150 nan 0.000 0.447 16 K N -0.616 119.700 120.400 -0.141 0.000 2.063 16 K HA -0.090 4.231 4.320 0.002 0.000 0.208 16 K C 1.821 178.397 176.600 -0.039 0.000 1.048 16 K CA 1.591 57.854 56.287 -0.041 0.000 0.928 16 K CB -0.406 32.097 32.500 0.006 0.000 0.713 16 K HN 0.558 nan 8.250 nan 0.000 0.442 17 I N 0.683 121.225 120.570 -0.048 0.000 2.163 17 I HA -0.395 3.776 4.170 0.002 0.000 0.243 17 I C 2.435 178.532 176.117 -0.032 0.000 1.085 17 I CA 1.074 62.364 61.300 -0.017 0.000 1.347 17 I CB -0.360 37.638 38.000 -0.002 0.000 1.044 17 I HN 0.282 nan 8.210 nan 0.000 0.408 18 C N 0.035 119.277 119.300 -0.097 0.000 2.413 18 C HA -0.204 4.257 4.460 0.002 0.000 0.276 18 C C 2.836 177.818 174.990 -0.013 0.000 1.236 18 C CA 0.804 59.767 59.018 -0.093 0.000 1.735 18 C CB -1.449 26.186 27.740 -0.175 0.000 2.031 18 C HN 0.502 nan 8.230 nan 0.000 0.474 19 H N -0.071 118.994 119.070 -0.009 0.000 2.353 19 H HA -0.118 4.439 4.556 0.001 0.000 0.300 19 H C 2.174 177.483 175.328 -0.032 0.000 1.090 19 H CA 1.877 57.919 56.048 -0.009 0.000 1.327 19 H CB -0.790 28.959 29.762 -0.022 0.000 1.383 19 H HN 0.440 nan 8.280 nan 0.000 0.508 20 Q N 0.849 120.675 119.800 0.042 0.000 2.084 20 Q HA -0.059 4.282 4.340 0.002 0.000 0.202 20 Q C 2.373 178.191 176.000 -0.303 0.000 0.978 20 Q CA 1.268 56.984 55.803 -0.145 0.000 0.844 20 Q CB -0.383 28.285 28.738 -0.117 0.000 0.898 20 Q HN 0.502 nan 8.270 nan 0.000 0.426 21 I N -0.351 120.182 120.570 -0.061 0.000 2.406 21 I HA -0.161 4.010 4.170 0.002 0.000 0.249 21 I C 1.882 178.124 176.117 0.208 0.000 1.122 21 I CA 0.936 62.309 61.300 0.120 0.000 1.431 21 I CB -0.258 37.817 38.000 0.125 0.000 1.087 21 I HN 0.218 nan 8.210 nan 0.000 0.424 22 E N 0.362 120.635 120.200 0.121 0.000 2.153 22 E HA -0.258 4.093 4.350 0.002 0.000 0.194 22 E C 1.990 178.680 176.600 0.150 0.000 0.988 22 E CA 1.242 57.723 56.400 0.135 0.000 0.811 22 E CB -0.193 29.579 29.700 0.120 0.000 0.746 22 E HN 0.452 nan 8.360 nan 0.000 0.466 23 Y N 0.186 120.502 120.300 0.027 0.000 2.097 23 Y HA -0.329 4.222 4.550 0.001 0.000 0.282 23 Y C 1.740 177.715 175.900 0.124 0.000 1.152 23 Y CA 1.845 59.954 58.100 0.015 0.000 1.136 23 Y CB -0.416 37.979 38.460 -0.107 0.000 0.975 23 Y HN 0.121 nan 8.280 nan 0.000 0.498 24 Y N -2.023 118.357 120.300 0.133 0.000 2.165 24 Y HA -0.276 4.275 4.550 0.002 0.000 0.286 24 Y C 1.837 177.650 175.900 -0.144 0.000 1.155 24 Y CA 0.997 59.110 58.100 0.022 0.000 1.164 24 Y CB -0.453 38.028 38.460 0.034 0.000 0.978 24 Y HN 0.065 nan 8.280 nan 0.000 0.513 25 F N -0.193 119.808 119.950 0.085 0.000 2.765 25 F HA 0.208 4.736 4.527 0.002 0.000 0.302 25 F C 1.524 177.293 175.800 -0.052 0.000 1.111 25 F CA -0.160 57.844 58.000 0.008 0.000 1.359 25 F CB -0.248 38.751 39.000 -0.002 0.000 1.097 25 F HN -0.151 nan 8.300 nan 0.000 0.577 26 G N -0.526 108.303 108.800 0.049 0.000 2.543 26 G HA2 0.055 4.016 3.960 0.002 0.000 0.290 26 G HA3 0.055 4.016 3.960 0.002 0.000 0.290 26 G C 0.353 175.206 174.900 -0.080 0.000 1.310 26 G CA -0.347 44.751 45.100 -0.004 0.000 1.025 26 G HN 0.003 nan 8.290 nan 0.000 0.502 27 D N -0.723 119.616 120.400 -0.102 0.000 2.310 27 D HA -0.040 4.601 4.640 0.002 0.000 0.212 27 D C 1.681 177.700 176.300 -0.468 0.000 0.965 27 D CA 1.003 54.818 54.000 -0.309 0.000 0.879 27 D CB 0.035 40.571 40.800 -0.441 0.000 0.921 27 D HN 0.316 nan 8.370 nan 0.000 0.510 28 F N -0.317 119.598 119.950 -0.059 0.000 2.678 28 F HA 0.177 4.705 4.527 0.001 0.000 0.291 28 F C 2.060 177.803 175.800 -0.096 0.000 1.123 28 F CA -0.078 57.905 58.000 -0.028 0.000 1.395 28 F CB 0.030 39.060 39.000 0.050 0.000 1.121 28 F HN -0.096 nan 8.300 nan 0.000 0.592 29 N N 0.497 119.107 118.700 -0.149 0.000 2.428 29 N HA -0.064 4.677 4.740 0.002 0.000 0.181 29 N C 1.944 177.424 175.510 -0.050 0.000 1.028 29 N CA 0.474 53.453 53.050 -0.118 0.000 0.877 29 N CB -0.032 38.279 38.487 -0.292 0.000 1.064 29 N HN 0.169 nan 8.380 nan 0.000 0.434 30 L N 2.529 123.698 121.223 -0.090 0.000 2.012 30 L HA 0.015 4.356 4.340 0.002 0.000 0.210 30 L C -1.085 175.747 176.870 -0.062 0.000 1.073 30 L CA 1.985 56.775 54.840 -0.082 0.000 0.748 30 L CB -1.531 40.477 42.059 -0.085 0.000 0.891 30 L HN 0.116 nan 8.230 nan 0.000 0.431 31 P HA -0.164 nan 4.420 nan 0.000 0.218 31 P C 0.709 177.994 177.300 -0.024 0.000 1.148 31 P CA 1.586 64.653 63.100 -0.055 0.000 0.822 31 P CB -0.221 31.435 31.700 -0.074 0.000 0.784 32 R N -1.385 119.115 120.500 -0.001 0.000 2.356 32 R HA 0.187 4.528 4.340 0.002 0.000 0.234 32 R C 0.077 176.394 176.300 0.027 0.000 0.929 32 R CA 0.017 56.131 56.100 0.023 0.000 1.084 32 R CB -0.469 29.862 30.300 0.051 0.000 1.105 32 R HN -0.003 nan 8.270 nan 0.000 0.515 33 D N 2.377 122.785 120.400 0.013 0.000 2.499 33 D HA 0.075 4.716 4.640 0.002 0.000 0.225 33 D C 0.548 176.857 176.300 0.016 0.000 1.124 33 D CA -0.198 53.817 54.000 0.025 0.000 0.938 33 D CB 1.168 41.985 40.800 0.028 0.000 1.014 33 D HN 0.107 nan 8.370 nan 0.000 0.517 34 K N 2.907 123.325 120.400 0.030 0.000 2.044 34 K HA -0.225 4.096 4.320 0.002 0.000 0.210 34 K C 1.682 178.303 176.600 0.035 0.000 1.049 34 K CA 1.143 57.446 56.287 0.025 0.000 0.927 34 K CB -0.170 32.352 32.500 0.037 0.000 0.713 34 K HN 0.357 nan 8.250 nan 0.000 0.443 35 F N 1.306 121.212 119.950 -0.074 0.000 2.102 35 F HA -0.210 4.318 4.527 0.002 0.000 0.298 35 F C 1.925 177.688 175.800 -0.061 0.000 1.105 35 F CA 1.221 59.170 58.000 -0.085 0.000 1.239 35 F CB -0.360 38.547 39.000 -0.155 0.000 0.991 35 F HN 0.085 nan 8.300 nan 0.000 0.474 36 L N 0.908 122.108 121.223 -0.038 0.000 2.072 36 L HA -0.111 4.230 4.340 0.002 0.000 0.205 36 L C 2.255 179.005 176.870 -0.199 0.000 1.079 36 L CA 1.765 56.524 54.840 -0.134 0.000 0.752 36 L CB -1.052 40.968 42.059 -0.065 0.000 0.906 36 L HN 0.049 nan 8.230 nan 0.000 0.436 37 K N -0.419 119.901 120.400 -0.133 0.000 2.074 37 K HA -0.282 4.039 4.320 0.002 0.000 0.209 37 K C 2.035 178.560 176.600 -0.125 0.000 1.048 37 K CA 1.963 58.184 56.287 -0.109 0.000 0.926 37 K CB -0.233 32.225 32.500 -0.071 0.000 0.713 37 K HN 0.517 nan 8.250 nan 0.000 0.444 38 E N 0.742 120.844 120.200 -0.164 0.000 2.038 38 E HA -0.249 4.102 4.350 0.002 0.000 0.195 38 E C 2.069 178.546 176.600 -0.204 0.000 1.000 38 E CA 1.199 57.494 56.400 -0.176 0.000 0.803 38 E CB 0.141 29.721 29.700 -0.201 0.000 0.750 38 E HN 0.200 nan 8.360 nan 0.000 0.448 39 Q N 0.243 119.849 119.800 -0.324 0.000 2.152 39 Q HA -0.164 4.177 4.340 0.002 0.000 0.206 39 Q C 2.289 178.233 176.000 -0.094 0.000 0.985 39 Q CA 1.212 56.871 55.803 -0.240 0.000 0.863 39 Q CB -0.276 28.280 28.738 -0.302 0.000 0.904 39 Q HN 0.494 nan 8.270 nan 0.000 0.422 40 I N 0.155 120.674 120.570 -0.084 0.000 2.928 40 I HA -0.177 3.994 4.170 0.002 0.000 0.266 40 I C 1.725 177.824 176.117 -0.030 0.000 1.234 40 I CA 0.605 61.890 61.300 -0.026 0.000 1.483 40 I CB 0.100 38.084 38.000 -0.027 0.000 1.097 40 I HN 0.106 nan 8.210 nan 0.000 0.455 41 K N 0.377 120.751 120.400 -0.044 0.000 2.305 41 K HA 0.046 4.367 4.320 0.002 0.000 0.199 41 K C 1.878 178.469 176.600 -0.014 0.000 1.047 41 K CA 0.751 57.019 56.287 -0.033 0.000 0.976 41 K CB 0.145 32.621 32.500 -0.040 0.000 0.765 41 K HN 0.260 nan 8.250 nan 0.000 0.474 42 L N 0.334 121.550 121.223 -0.011 0.000 2.141 42 L HA -0.102 4.239 4.340 0.002 0.000 0.209 42 L C 0.804 177.695 176.870 0.037 0.000 1.094 42 L CA 0.905 55.748 54.840 0.006 0.000 0.763 42 L CB 0.035 42.093 42.059 -0.001 0.000 0.908 42 L HN 0.153 nan 8.230 nan 0.000 0.437 43 D N -0.466 119.974 120.400 0.067 0.000 3.216 43 D HA 0.092 4.733 4.640 0.002 0.000 0.348 43 D C -0.354 176.056 176.300 0.184 0.000 1.407 43 D CA -0.227 53.851 54.000 0.131 0.000 0.744 43 D CB 0.035 40.931 40.800 0.159 0.000 1.264 43 D HN 0.181 nan 8.370 nan 0.000 0.543 44 E N -0.607 119.638 120.200 0.076 0.000 2.637 44 E HA -0.229 4.122 4.350 0.002 0.000 0.265 44 E C 0.995 177.491 176.600 -0.174 0.000 1.073 44 E CA 0.591 56.991 56.400 -0.000 0.000 0.778 44 E CB -1.443 28.308 29.700 0.085 0.000 1.362 44 E HN 0.632 nan 8.360 nan 0.000 0.413 45 G N -0.902 107.827 108.800 -0.119 0.000 2.284 45 G HA2 -0.330 3.631 3.960 0.002 0.000 0.230 45 G HA3 -0.330 3.631 3.960 0.002 0.000 0.230 45 G C 0.013 174.854 174.900 -0.098 0.000 1.021 45 G CA -0.025 44.971 45.100 -0.175 0.000 0.619 45 G HN 0.253 nan 8.290 nan 0.000 0.510 46 W N 0.992 122.299 121.300 0.011 0.000 2.308 46 W HA 0.489 5.150 4.660 0.002 0.000 0.324 46 W C 0.292 176.824 176.519 0.021 0.000 1.387 46 W CA -0.640 56.705 57.345 -0.000 0.000 1.250 46 W CB 0.960 30.407 29.460 -0.022 0.000 1.257 46 W HN 0.145 nan 8.180 nan 0.000 0.554 47 V N 5.900 125.998 119.914 0.307 0.000 2.409 47 V HA 0.288 4.409 4.120 0.002 0.000 0.291 47 V C -1.939 174.229 176.094 0.124 0.000 1.020 47 V CA -2.638 59.785 62.300 0.205 0.000 0.848 47 V CB 1.519 33.501 31.823 0.265 0.000 0.990 47 V HN 0.295 nan 8.190 nan 0.000 0.430 48 P HA 0.142 nan 4.420 nan 0.000 0.267 48 P C 0.981 178.226 177.300 -0.091 0.000 1.200 48 P CA 0.093 63.178 63.100 -0.026 0.000 0.772 48 P CB 0.715 32.413 31.700 -0.004 0.000 0.855 49 L N 1.969 123.007 121.223 -0.309 0.000 2.201 49 L HA -0.159 4.182 4.340 0.002 0.000 0.212 49 L C 2.256 178.883 176.870 -0.405 0.000 1.105 49 L CA 1.263 55.793 54.840 -0.516 0.000 0.775 49 L CB -0.706 40.736 42.059 -1.027 0.000 0.913 49 L HN 0.527 nan 8.230 nan 0.000 0.440 50 E N 0.326 120.388 120.200 -0.229 0.000 2.268 50 E HA -0.140 4.211 4.350 0.002 0.000 0.195 50 E C 1.066 177.781 176.600 0.192 0.000 0.995 50 E CA 0.610 57.127 56.400 0.196 0.000 0.836 50 E CB -0.012 29.840 29.700 0.254 0.000 0.763 50 E HN 0.305 nan 8.360 nan 0.000 0.491 54 K N 0.958 121.523 120.400 0.275 0.000 2.393 54 K HA 0.318 4.639 4.320 0.002 0.000 0.193 54 K C -0.393 176.254 176.600 0.077 0.000 1.026 54 K CA 0.286 56.655 56.287 0.136 0.000 1.064 54 K CB 0.237 32.773 32.500 0.061 0.000 0.833 54 K HN 0.103 nan 8.250 nan 0.000 0.521 55 F N 1.716 121.644 119.950 -0.037 0.000 2.444 55 F HA 0.071 4.599 4.527 0.002 0.000 0.360 55 F C 1.467 177.297 175.800 0.050 0.000 1.106 55 F CA -0.926 57.017 58.000 -0.095 0.000 1.170 55 F CB 0.469 39.297 39.000 -0.286 0.000 1.113 55 F HN -0.063 nan 8.300 nan 0.000 0.521 56 N N 2.816 121.599 118.700 0.138 0.000 2.061 56 N HA -0.194 4.547 4.740 0.002 0.000 0.193 56 N C 1.900 177.514 175.510 0.174 0.000 1.030 56 N CA 1.741 54.862 53.050 0.117 0.000 0.856 56 N CB 0.084 38.601 38.487 0.050 0.000 1.023 56 N HN 0.524 nan 8.380 nan 0.000 0.424 57 R N -0.583 120.067 120.500 0.250 0.000 2.092 57 R HA -0.073 4.268 4.340 0.002 0.000 0.231 57 R C 2.031 178.456 176.300 0.208 0.000 1.119 57 R CA 0.966 57.190 56.100 0.207 0.000 0.970 57 R CB -0.468 29.951 30.300 0.199 0.000 0.864 57 R HN 0.249 nan 8.270 nan 0.000 0.440 58 L N 1.770 123.188 121.223 0.326 0.000 2.017 58 L HA -0.201 4.140 4.340 0.002 0.000 0.208 58 L C 1.995 178.981 176.870 0.192 0.000 1.073 58 L CA 1.811 56.808 54.840 0.261 0.000 0.745 58 L CB -0.873 41.404 42.059 0.363 0.000 0.894 58 L HN 0.159 nan 8.230 nan 0.000 0.432 59 N N 0.384 119.204 118.700 0.200 0.000 2.091 59 N HA -0.321 4.420 4.740 0.002 0.000 0.193 59 N C 2.178 177.749 175.510 0.102 0.000 1.021 59 N CA 1.975 55.111 53.050 0.145 0.000 0.862 59 N CB -0.248 38.317 38.487 0.130 0.000 1.018 59 N HN 0.453 nan 8.380 nan 0.000 0.429 60 R N 0.214 120.772 120.500 0.096 0.000 2.105 60 R HA -0.081 4.260 4.340 0.002 0.000 0.239 60 R C 2.328 178.663 176.300 0.058 0.000 1.135 60 R CA 1.142 57.282 56.100 0.066 0.000 0.967 60 R CB -0.053 30.282 30.300 0.058 0.000 0.861 60 R HN 0.281 nan 8.270 nan 0.000 0.442 61 L N -0.851 120.414 121.223 0.070 0.000 2.102 61 L HA 0.053 4.394 4.340 0.002 0.000 0.202 61 L C 0.835 177.739 176.870 0.055 0.000 1.076 61 L CA 1.164 56.038 54.840 0.056 0.000 0.761 61 L CB -0.041 42.051 42.059 0.056 0.000 0.921 61 L HN 0.318 nan 8.230 nan 0.000 0.444 62 T N -5.257 109.341 114.554 0.074 0.000 2.977 62 T HA 0.234 4.585 4.350 0.002 0.000 0.345 62 T C 0.002 174.763 174.700 0.100 0.000 1.562 62 T CA -0.117 62.026 62.100 0.072 0.000 1.090 62 T CB 1.462 70.373 68.868 0.071 0.000 1.383 62 T HN 0.042 nan 8.240 nan 0.000 0.484 63 T N -2.043 112.557 114.554 0.077 0.000 3.084 63 T HA 0.273 4.624 4.350 0.002 0.000 0.270 63 T C -0.000 174.714 174.700 0.023 0.000 1.008 63 T CA -0.188 61.965 62.100 0.089 0.000 0.900 63 T CB 0.049 68.939 68.868 0.036 0.000 1.084 63 T HN 0.692 nan 8.240 nan 0.000 0.538 64 D N 1.143 121.567 120.400 0.040 0.000 2.352 64 D HA 0.229 4.870 4.640 0.002 0.000 0.245 64 D C 0.602 176.998 176.300 0.158 0.000 1.224 64 D CA -0.919 53.085 54.000 0.007 0.000 0.879 64 D CB 0.034 40.840 40.800 0.009 0.000 1.057 64 D HN 0.290 nan 8.370 nan 0.000 0.491 65 F N 2.139 122.102 119.950 0.022 0.000 2.161 65 F HA -0.227 4.301 4.527 0.002 0.000 0.300 65 F C 2.104 177.911 175.800 0.012 0.000 1.089 65 F CA 0.165 58.177 58.000 0.020 0.000 1.282 65 F CB 0.068 39.078 39.000 0.017 0.000 1.010 65 F HN 0.362 nan 8.300 nan 0.000 0.485 66 N N 0.556 119.373 118.700 0.196 0.000 2.142 66 N HA -0.132 4.609 4.740 0.002 0.000 0.186 66 N C 1.968 177.522 175.510 0.073 0.000 1.023 66 N CA 1.155 54.267 53.050 0.103 0.000 0.852 66 N CB -0.628 37.897 38.487 0.063 0.000 0.998 66 N HN 0.108 nan 8.380 nan 0.000 0.424 67 V N 1.965 121.921 119.914 0.071 0.000 2.332 67 V HA -0.195 3.926 4.120 0.002 0.000 0.248 67 V C 2.291 178.417 176.094 0.053 0.000 1.055 67 V CA 1.265 63.596 62.300 0.052 0.000 1.038 67 V CB -0.452 31.398 31.823 0.044 0.000 0.651 67 V HN 0.198 nan 8.190 nan 0.000 0.450 68 I N -0.697 119.921 120.570 0.081 0.000 2.226 68 I HA -0.191 3.980 4.170 0.002 0.000 0.245 68 I C 2.382 178.519 176.117 0.034 0.000 1.100 68 I CA 1.095 62.433 61.300 0.063 0.000 1.374 68 I CB -0.439 37.614 38.000 0.089 0.000 1.057 68 I HN 0.115 nan 8.210 nan 0.000 0.413 69 V N 0.600 120.540 119.914 0.042 0.000 2.237 69 V HA -0.319 3.802 4.120 0.002 0.000 0.245 69 V C 2.524 178.625 176.094 0.012 0.000 1.046 69 V CA 2.198 64.510 62.300 0.021 0.000 1.007 69 V CB -0.553 31.285 31.823 0.026 0.000 0.638 69 V HN 0.466 nan 8.190 nan 0.000 0.445 70 E N -0.211 119.999 120.200 0.017 0.000 2.114 70 E HA -0.294 4.057 4.350 0.002 0.000 0.199 70 E C 2.200 178.798 176.600 -0.002 0.000 1.008 70 E CA 1.616 58.020 56.400 0.007 0.000 0.810 70 E CB -0.227 29.479 29.700 0.010 0.000 0.739 70 E HN 0.586 nan 8.360 nan 0.000 0.456 71 A N 0.726 123.545 122.820 -0.002 0.000 1.877 71 A HA -0.153 4.168 4.320 0.002 0.000 0.216 71 A C 2.184 179.752 177.584 -0.027 0.000 1.186 71 A CA 1.212 53.238 52.037 -0.018 0.000 0.620 71 A CB -0.628 18.362 19.000 -0.016 0.000 0.822 71 A HN 0.296 nan 8.150 nan 0.000 0.443 72 L N 0.537 121.747 121.223 -0.021 0.000 2.217 72 L HA -0.123 4.218 4.340 0.002 0.000 0.211 72 L C 2.850 179.706 176.870 -0.023 0.000 1.107 72 L CA 1.283 56.105 54.840 -0.029 0.000 0.783 72 L CB -0.337 41.701 42.059 -0.035 0.000 0.919 72 L HN 0.612 nan 8.230 nan 0.000 0.442 73 S N -0.586 115.105 115.700 -0.014 0.000 2.474 73 S HA -0.147 4.324 4.470 0.002 0.000 0.235 73 S C 1.722 176.316 174.600 -0.011 0.000 0.997 73 S CA 0.771 58.966 58.200 -0.009 0.000 0.949 73 S CB -0.117 63.081 63.200 -0.003 0.000 0.766 73 S HN 0.397 nan 8.310 nan 0.000 0.517 74 K N 1.113 121.504 120.400 -0.016 0.000 2.355 74 K HA 0.309 4.630 4.320 0.002 0.000 0.198 74 K C 0.500 177.087 176.600 -0.021 0.000 1.039 74 K CA -0.083 56.195 56.287 -0.016 0.000 1.075 74 K CB 0.494 32.983 32.500 -0.018 0.000 0.870 74 K HN 0.251 nan 8.250 nan 0.000 0.540 75 S N 1.349 117.033 115.700 -0.027 0.000 2.558 75 S HA -0.014 4.457 4.470 0.002 0.000 0.293 75 S C 0.566 175.160 174.600 -0.010 0.000 1.292 75 S CA 0.352 58.536 58.200 -0.026 0.000 1.063 75 S CB 0.416 63.599 63.200 -0.028 0.000 0.831 75 S HN 0.180 nan 8.310 nan 0.000 0.499 76 K N 3.209 123.610 120.400 0.002 0.000 2.399 76 K HA 0.274 4.595 4.320 0.002 0.000 0.204 76 K C 1.510 178.123 176.600 0.022 0.000 1.023 76 K CA 0.292 56.586 56.287 0.011 0.000 1.127 76 K CB 0.277 32.785 32.500 0.014 0.000 0.856 76 K HN 0.609 nan 8.250 nan 0.000 0.514 77 A N 1.366 124.202 122.820 0.027 0.000 2.016 77 A HA -0.092 4.229 4.320 0.002 0.000 0.217 77 A C 0.361 177.956 177.584 0.018 0.000 1.162 77 A CA 0.736 52.796 52.037 0.038 0.000 0.662 77 A CB -0.139 18.897 19.000 0.060 0.000 0.812 77 A HN 0.465 nan 8.150 nan 0.000 0.450 78 E N -2.014 118.187 120.200 0.001 0.000 2.320 78 E HA -0.200 4.151 4.350 0.002 0.000 0.234 78 E C -0.429 176.156 176.600 -0.025 0.000 1.183 78 E CA 0.466 56.859 56.400 -0.012 0.000 0.713 78 E CB -1.701 27.996 29.700 -0.005 0.000 1.226 78 E HN 0.549 nan 8.360 nan 0.000 0.382 82 I N 1.775 122.457 120.570 0.186 0.000 2.412 82 I HA 0.237 4.408 4.170 0.002 0.000 0.296 82 I C 0.571 176.747 176.117 0.097 0.000 0.987 82 I CA -0.561 60.829 61.300 0.151 0.000 1.180 82 I CB 1.635 39.655 38.000 0.034 0.000 1.340 82 I HN 0.467 nan 8.210 nan 0.000 0.455 83 S N 3.256 118.835 115.700 -0.201 0.000 2.585 83 S HA 0.154 4.625 4.470 0.002 0.000 0.273 83 S C 0.897 175.337 174.600 -0.265 0.000 1.339 83 S CA -0.490 57.365 58.200 -0.575 0.000 1.028 83 S CB 1.074 63.698 63.200 -0.960 0.000 0.906 83 S HN 0.724 nan 8.310 nan 0.000 0.528 84 E N 1.306 121.369 120.200 -0.227 0.000 2.082 84 E HA -0.287 4.064 4.350 0.002 0.000 0.215 84 E C 1.401 177.922 176.600 -0.130 0.000 1.048 84 E CA 2.170 58.487 56.400 -0.138 0.000 0.869 84 E CB -0.322 29.308 29.700 -0.117 0.000 0.773 84 E HN 0.754 nan 8.360 nan 0.000 0.466 85 D N -0.069 120.231 120.400 -0.167 0.000 2.200 85 D HA -0.221 4.420 4.640 0.002 0.000 0.192 85 D C 0.534 176.767 176.300 -0.112 0.000 1.008 85 D CA 1.647 55.564 54.000 -0.139 0.000 0.872 85 D CB -0.063 40.623 40.800 -0.189 0.000 0.923 85 D HN 0.216 nan 8.370 nan 0.000 0.447 86 K N -2.368 117.947 120.400 -0.143 0.000 3.391 86 K HA -0.185 4.136 4.320 0.002 0.000 0.307 86 K C 1.019 177.551 176.600 -0.114 0.000 1.304 86 K CA 1.102 57.326 56.287 -0.104 0.000 0.904 86 K CB -2.391 30.081 32.500 -0.047 0.000 1.293 86 K HN 0.398 nan 8.250 nan 0.000 0.470 87 T N -1.168 113.292 114.554 -0.156 0.000 3.067 87 T HA 0.009 4.360 4.350 0.002 0.000 0.257 87 T C 0.594 175.166 174.700 -0.214 0.000 1.105 87 T CA 0.656 62.652 62.100 -0.172 0.000 1.104 87 T CB -0.031 68.760 68.868 -0.128 0.000 0.925 87 T HN 0.452 nan 8.240 nan 0.000 0.498 88 K N 0.912 121.199 120.400 -0.188 0.000 2.522 88 K HA 0.706 5.027 4.320 0.002 0.000 0.275 88 K C -1.349 175.290 176.600 0.064 0.000 1.006 88 K CA -1.286 54.954 56.287 -0.079 0.000 0.890 88 K CB 1.971 34.440 32.500 -0.051 0.000 1.475 88 K HN 0.337 nan 8.250 nan 0.000 0.441 89 I N -2.439 118.274 120.570 0.239 0.000 3.095 89 I HA 0.694 4.865 4.170 0.002 0.000 0.310 89 I C -1.337 174.871 176.117 0.152 0.000 1.196 89 I CA -1.283 60.163 61.300 0.245 0.000 0.985 89 I CB 2.580 40.553 38.000 -0.045 0.000 1.250 89 I HN 0.911 nan 8.210 nan 0.000 0.446 90 R N 2.047 122.423 120.500 -0.207 0.000 2.692 90 R HA 0.506 4.847 4.340 0.002 0.000 0.269 90 R C -1.457 174.521 176.300 -0.537 0.000 1.030 90 R CA -1.027 54.785 56.100 -0.480 0.000 0.882 90 R CB 1.628 31.427 30.300 -0.836 0.000 1.250 90 R HN 0.826 nan 8.270 nan 0.000 0.465 91 R N 1.580 121.824 120.500 -0.427 0.000 2.489 91 R HA 0.078 4.419 4.340 0.002 0.000 0.287 91 R C -0.399 175.748 176.300 -0.255 0.000 1.053 91 R CA 0.082 56.024 56.100 -0.263 0.000 1.036 91 R CB 0.888 31.165 30.300 -0.038 0.000 0.966 91 R HN 0.669 nan 8.270 nan 0.000 0.432 92 S N 5.008 120.584 115.700 -0.207 0.000 2.626 92 S HA 0.013 4.484 4.470 0.002 0.000 0.303 92 S C -1.303 173.207 174.600 -0.149 0.000 1.256 92 S CA -1.240 56.854 58.200 -0.176 0.000 1.069 92 S CB 0.773 63.904 63.200 -0.114 0.000 0.807 92 S HN 0.587 nan 8.310 nan 0.000 0.500 93 P HA -0.076 nan 4.420 nan 0.000 0.222 93 P C 1.002 178.252 177.300 -0.083 0.000 1.147 93 P CA 0.898 63.926 63.100 -0.120 0.000 0.790 93 P CB -0.217 31.411 31.700 -0.120 0.000 0.780 94 S N -1.816 113.839 115.700 -0.075 0.000 2.603 94 S HA 0.084 4.555 4.470 0.002 0.000 0.220 94 S C 0.894 175.465 174.600 -0.049 0.000 0.967 94 S CA 0.034 58.202 58.200 -0.053 0.000 0.920 94 S CB -0.470 62.705 63.200 -0.042 0.000 0.773 94 S HN -0.047 nan 8.310 nan 0.000 0.529 95 K N 3.095 123.459 120.400 -0.060 0.000 2.762 95 K HA 0.378 4.699 4.320 0.002 0.000 0.180 95 K C -2.954 173.610 176.600 -0.060 0.000 1.067 95 K CA -1.758 54.499 56.287 -0.051 0.000 0.973 95 K CB 1.275 33.748 32.500 -0.045 0.000 1.290 95 K HN 0.329 nan 8.250 nan 0.000 0.604 96 P HA 0.131 nan 4.420 nan 0.000 0.272 96 P C 0.224 177.469 177.300 -0.092 0.000 1.230 96 P CA -0.472 62.583 63.100 -0.076 0.000 0.788 96 P CB 1.046 32.701 31.700 -0.074 0.000 0.949 97 L N 2.521 123.680 121.223 -0.107 0.000 2.485 97 L HA 0.126 4.467 4.340 0.002 0.000 0.275 97 L C -1.607 175.133 176.870 -0.216 0.000 1.207 97 L CA -1.502 53.247 54.840 -0.152 0.000 0.855 97 L CB -0.838 41.132 42.059 -0.148 0.000 1.114 97 L HN 0.303 nan 8.230 nan 0.000 0.485 98 P HA 0.001 nan 4.420 nan 0.000 0.266 98 P C -0.675 176.337 177.300 -0.481 0.000 1.195 98 P CA -0.275 62.537 63.100 -0.480 0.000 0.768 98 P CB 0.452 31.575 31.700 -0.963 0.000 0.838 99 E N 2.498 122.495 120.200 -0.338 0.000 2.299 99 E HA 0.069 4.420 4.350 0.002 0.000 0.272 99 E C -0.581 175.845 176.600 -0.289 0.000 1.043 99 E CA -0.032 56.224 56.400 -0.241 0.000 0.895 99 E CB -0.058 29.565 29.700 -0.128 0.000 1.011 99 E HN 0.095 nan 8.360 nan 0.000 0.432 100 V N 6.497 126.278 119.914 -0.222 0.000 2.054 100 V HA 0.079 4.200 4.120 0.002 0.000 0.243 100 V C 0.638 176.755 176.094 0.038 0.000 1.480 100 V CA 0.341 62.590 62.300 -0.086 0.000 1.440 100 V CB -1.237 30.564 31.823 -0.037 0.000 1.489 100 V HN 0.779 nan 8.190 nan 0.000 0.502 101 T N -1.546 113.057 114.554 0.083 0.000 2.881 101 T HA 0.254 4.605 4.350 0.002 0.000 0.278 101 T C 0.930 175.702 174.700 0.119 0.000 0.982 101 T CA -0.688 61.461 62.100 0.083 0.000 0.989 101 T CB 1.445 70.354 68.868 0.068 0.000 1.058 101 T HN 0.350 nan 8.240 nan 0.000 0.529 102 D N 0.385 120.830 120.400 0.074 0.000 2.104 102 D HA -0.128 4.513 4.640 0.002 0.000 0.194 102 D C 1.994 178.330 176.300 0.059 0.000 0.994 102 D CA 1.177 55.212 54.000 0.059 0.000 0.830 102 D CB -0.100 40.722 40.800 0.037 0.000 0.959 102 D HN 0.601 nan 8.370 nan 0.000 0.452 103 E N 0.141 120.380 120.200 0.066 0.000 2.085 103 E HA -0.190 4.161 4.350 0.002 0.000 0.194 103 E C 2.103 178.748 176.600 0.076 0.000 0.994 103 E CA 0.576 57.012 56.400 0.060 0.000 0.801 103 E CB -0.539 29.197 29.700 0.060 0.000 0.743 103 E HN 0.457 nan 8.360 nan 0.000 0.453 104 Y N 2.061 122.365 120.300 0.007 0.000 2.070 104 Y HA -0.241 4.310 4.550 0.001 0.000 0.280 104 Y C 2.188 178.100 175.900 0.020 0.000 1.148 104 Y CA 2.064 60.168 58.100 0.007 0.000 1.125 104 Y CB -0.100 38.352 38.460 -0.013 0.000 0.975 104 Y HN -0.087 nan 8.280 nan 0.000 0.492 105 K N 0.130 120.515 120.400 -0.025 0.000 2.057 105 K HA -0.188 4.133 4.320 0.002 0.000 0.207 105 K C 1.911 178.449 176.600 -0.103 0.000 1.049 105 K CA 1.696 57.928 56.287 -0.093 0.000 0.931 105 K CB -0.366 32.157 32.500 0.039 0.000 0.714 105 K HN 0.529 nan 8.250 nan 0.000 0.440 106 N N 1.135 119.805 118.700 -0.050 0.000 2.084 106 N HA -0.193 4.548 4.740 0.002 0.000 0.190 106 N C 1.662 177.137 175.510 -0.057 0.000 1.030 106 N CA 1.033 54.061 53.050 -0.037 0.000 0.849 106 N CB -0.185 38.295 38.487 -0.012 0.000 1.012 106 N HN 0.250 nan 8.380 nan 0.000 0.423 107 D N 1.255 121.608 120.400 -0.078 0.000 2.106 107 D HA -0.144 4.497 4.640 0.002 0.000 0.191 107 D C 1.944 178.190 176.300 -0.091 0.000 0.997 107 D CA 1.110 55.063 54.000 -0.078 0.000 0.834 107 D CB 0.139 40.891 40.800 -0.081 0.000 0.956 107 D HN -0.018 nan 8.370 nan 0.000 0.448 108 V N 1.060 120.852 119.914 -0.203 0.000 2.343 108 V HA -0.210 3.911 4.120 0.002 0.000 0.247 108 V C 2.624 178.719 176.094 0.002 0.000 1.051 108 V CA 1.753 63.989 62.300 -0.107 0.000 1.036 108 V CB -0.530 31.174 31.823 -0.198 0.000 0.654 108 V HN 0.213 nan 8.190 nan 0.000 0.451 109 K N 0.377 120.763 120.400 -0.024 0.000 2.097 109 K HA -0.202 4.119 4.320 0.002 0.000 0.206 109 K C 1.843 178.479 176.600 0.060 0.000 1.049 109 K CA 1.689 57.985 56.287 0.015 0.000 0.933 109 K CB -0.166 32.330 32.500 -0.007 0.000 0.717 109 K HN 0.436 nan 8.250 nan 0.000 0.442 110 N N 1.031 119.748 118.700 0.027 0.000 2.512 110 N HA -0.112 4.629 4.740 0.002 0.000 0.183 110 N C 0.809 176.411 175.510 0.152 0.000 1.073 110 N CA 0.900 53.952 53.050 0.004 0.000 0.911 110 N CB 0.108 38.562 38.487 -0.054 0.000 0.964 110 N HN 0.439 nan 8.380 nan 0.000 0.447 111 R N -1.279 119.350 120.500 0.215 0.000 2.565 111 R HA 0.348 4.689 4.340 0.002 0.000 0.347 111 R C -0.221 176.295 176.300 0.360 0.000 1.010 111 R CA -0.301 55.992 56.100 0.322 0.000 1.126 111 R CB 0.174 30.614 30.300 0.233 0.000 1.331 111 R HN -0.176 nan 8.270 nan 0.000 0.552 112 S N 1.024 116.907 115.700 0.305 0.000 2.508 112 S HA 0.514 4.985 4.470 0.002 0.000 0.284 112 S C -0.399 174.401 174.600 0.334 0.000 1.192 112 S CA -0.494 57.854 58.200 0.247 0.000 1.070 112 S CB 2.211 65.486 63.200 0.126 0.000 1.004 112 S HN 0.060 nan 8.310 nan 0.000 0.493 113 V N 3.173 123.274 119.914 0.312 0.000 2.789 113 V HA 0.425 4.546 4.120 0.002 0.000 0.311 113 V C -1.244 175.089 176.094 0.400 0.000 1.073 113 V CA -0.914 61.574 62.300 0.313 0.000 0.921 113 V CB 1.815 33.840 31.823 0.337 0.000 1.009 113 V HN 0.869 nan 8.190 nan 0.000 0.426 114 Y N 4.772 125.216 120.300 0.240 0.000 2.341 114 Y HA 0.818 5.369 4.550 0.001 0.000 0.337 114 Y C -0.733 175.188 175.900 0.034 0.000 1.014 114 Y CA -0.650 57.524 58.100 0.123 0.000 1.111 114 Y CB 1.358 39.831 38.460 0.022 0.000 1.194 114 Y HN 0.548 nan 8.280 nan 0.000 0.462 115 I N 6.515 126.660 120.570 -0.708 0.000 2.533 115 I HA 0.402 4.573 4.170 0.002 0.000 0.290 115 I C -1.025 174.639 176.117 -0.756 0.000 1.056 115 I CA -0.885 60.123 61.300 -0.486 0.000 1.057 115 I CB 2.096 40.103 38.000 0.011 0.000 1.240 115 I HN 0.547 nan 8.210 nan 0.000 0.423 116 K N 4.008 124.034 120.400 -0.623 0.000 2.259 116 K HA 0.753 5.074 4.320 0.002 0.000 0.252 116 K C 0.237 176.571 176.600 -0.443 0.000 0.936 116 K CA -0.392 55.615 56.287 -0.466 0.000 0.810 116 K CB 1.791 34.140 32.500 -0.252 0.000 1.143 116 K HN 0.872 nan 8.250 nan 0.000 0.427 117 G N 3.263 111.803 108.800 -0.434 0.000 2.157 117 G HA2 -0.095 3.866 3.960 0.002 0.000 0.114 117 G HA3 -0.095 3.866 3.960 0.002 0.000 0.114 117 G C -0.797 173.777 174.900 -0.543 0.000 1.041 117 G CA -0.710 44.135 45.100 -0.424 0.000 0.714 117 G HN 0.430 nan 8.290 nan 0.000 0.492 118 F N 1.534 121.259 119.950 -0.375 0.000 2.379 118 F HA 0.570 5.098 4.527 0.001 0.000 0.332 118 F C -1.066 174.565 175.800 -0.283 0.000 1.096 118 F CA -2.130 55.600 58.000 -0.450 0.000 1.105 118 F CB 1.236 39.974 39.000 -0.437 0.000 1.189 118 F HN -0.090 nan 8.300 nan 0.000 0.515 119 P HA 0.067 nan 4.420 nan 0.000 0.272 119 P C 0.355 177.693 177.300 0.062 0.000 1.230 119 P CA -0.155 62.964 63.100 0.032 0.000 0.788 119 P CB 0.614 32.373 31.700 0.099 0.000 0.949 120 T N -0.127 114.440 114.554 0.021 0.000 2.929 120 T HA -0.127 4.223 4.350 0.002 0.000 0.271 120 T C 1.057 175.883 174.700 0.210 0.000 1.085 120 T CA 1.786 63.926 62.100 0.067 0.000 1.125 120 T CB -0.591 68.279 68.868 0.002 0.000 0.874 120 T HN 0.639 nan 8.240 nan 0.000 0.494 121 D N 0.876 121.359 120.400 0.138 0.000 2.339 121 D HA 0.202 4.843 4.640 0.002 0.000 0.217 121 D C 0.681 177.024 176.300 0.071 0.000 1.050 121 D CA -0.154 53.904 54.000 0.096 0.000 0.856 121 D CB -0.250 40.590 40.800 0.066 0.000 0.922 121 D HN 0.295 nan 8.370 nan 0.000 0.518 122 A N 1.306 124.186 122.820 0.100 0.000 2.520 122 A HA 0.412 4.733 4.320 0.002 0.000 0.245 122 A C 0.950 178.420 177.584 -0.189 0.000 1.072 122 A CA 0.091 52.122 52.037 -0.010 0.000 0.761 122 A CB -0.047 18.909 19.000 -0.074 0.000 1.004 122 A HN 0.370 nan 8.150 nan 0.000 0.499 123 T N 0.436 114.885 114.554 -0.175 0.000 2.849 123 T HA 0.377 4.728 4.350 0.002 0.000 0.276 123 T C 1.081 175.592 174.700 -0.315 0.000 0.971 123 T CA -0.204 61.752 62.100 -0.240 0.000 0.949 123 T CB 0.398 69.188 68.868 -0.131 0.000 1.093 123 T HN 0.581 nan 8.240 nan 0.000 0.545 124 L N 0.417 121.465 121.223 -0.293 0.000 2.141 124 L HA 0.033 4.374 4.340 0.002 0.000 0.209 124 L C 1.968 178.718 176.870 -0.200 0.000 1.094 124 L CA 1.777 56.444 54.840 -0.289 0.000 0.763 124 L CB -1.136 40.772 42.059 -0.253 0.000 0.908 124 L HN 0.673 nan 8.230 nan 0.000 0.437 125 D N -0.336 119.983 120.400 -0.135 0.000 2.097 125 D HA -0.175 4.466 4.640 0.002 0.000 0.197 125 D C 1.609 177.892 176.300 -0.027 0.000 0.984 125 D CA 1.465 55.422 54.000 -0.072 0.000 0.826 125 D CB -0.087 40.687 40.800 -0.043 0.000 0.973 125 D HN 0.400 nan 8.370 nan 0.000 0.460 126 D N 1.040 121.432 120.400 -0.014 0.000 2.106 126 D HA -0.133 4.508 4.640 0.002 0.000 0.191 126 D C 2.372 178.749 176.300 0.128 0.000 0.997 126 D CA 0.606 54.665 54.000 0.099 0.000 0.834 126 D CB -0.377 40.505 40.800 0.135 0.000 0.956 126 D HN 0.292 nan 8.370 nan 0.000 0.448 127 I N 0.918 121.433 120.570 -0.092 0.000 2.179 127 I HA -0.256 3.915 4.170 0.002 0.000 0.242 127 I C 2.413 178.526 176.117 -0.007 0.000 1.088 127 I CA 1.100 62.299 61.300 -0.169 0.000 1.357 127 I CB -0.231 37.442 38.000 -0.544 0.000 1.051 127 I HN -0.040 nan 8.210 nan 0.000 0.409 128 K N 0.783 121.140 120.400 -0.073 0.000 2.032 128 K HA -0.224 4.097 4.320 0.002 0.000 0.209 128 K C 2.026 178.635 176.600 0.015 0.000 1.048 128 K CA 1.707 57.956 56.287 -0.064 0.000 0.927 128 K CB -0.203 32.237 32.500 -0.099 0.000 0.712 128 K HN 0.410 nan 8.250 nan 0.000 0.441 129 E N -0.316 119.924 120.200 0.066 0.000 2.051 129 E HA -0.229 4.122 4.350 0.002 0.000 0.192 129 E C 1.796 178.491 176.600 0.159 0.000 0.991 129 E CA 1.228 57.684 56.400 0.094 0.000 0.799 129 E CB -0.194 29.575 29.700 0.113 0.000 0.748 129 E HN 0.402 nan 8.360 nan 0.000 0.449 130 W N 1.441 122.802 121.300 0.102 0.000 2.358 130 W HA -0.138 4.523 4.660 0.002 0.000 0.303 130 W C 1.683 178.278 176.519 0.125 0.000 1.208 130 W CA 1.204 58.656 57.345 0.177 0.000 1.274 130 W CB -0.140 29.560 29.460 0.400 0.000 1.138 130 W HN -0.039 nan 8.180 nan 0.000 0.515 131 L N 0.851 122.186 121.223 0.188 0.000 2.551 131 L HA -0.114 4.227 4.340 0.002 0.000 0.228 131 L C 2.185 178.987 176.870 -0.115 0.000 1.153 131 L CA 0.814 55.635 54.840 -0.033 0.000 0.851 131 L CB -0.732 41.308 42.059 -0.033 0.000 0.959 131 L HN 0.074 nan 8.230 nan 0.000 0.451 132 E N 0.443 120.591 120.200 -0.086 0.000 2.068 132 E HA -0.274 4.077 4.350 0.002 0.000 0.207 132 E C 0.696 177.249 176.600 -0.079 0.000 1.032 132 E CA 1.765 58.121 56.400 -0.074 0.000 0.839 132 E CB 0.016 29.687 29.700 -0.048 0.000 0.758 132 E HN 0.435 nan 8.360 nan 0.000 0.457 133 D N -0.997 119.339 120.400 -0.107 0.000 2.427 133 D HA 0.064 4.705 4.640 0.002 0.000 0.224 133 D C 0.315 176.577 176.300 -0.062 0.000 1.157 133 D CA 0.222 54.176 54.000 -0.077 0.000 0.828 133 D CB 0.420 41.172 40.800 -0.080 0.000 0.974 133 D HN 0.040 nan 8.370 nan 0.000 0.498 134 K N 0.058 120.421 120.400 -0.060 0.000 2.373 134 K HA 0.414 4.735 4.320 0.002 0.000 0.202 134 K C 0.667 177.344 176.600 0.128 0.000 1.025 134 K CA -0.174 56.125 56.287 0.020 0.000 1.115 134 K CB 1.827 34.304 32.500 -0.039 0.000 0.858 134 K HN 0.101 nan 8.250 nan 0.000 0.525 135 G N 1.789 110.645 108.800 0.093 0.000 2.484 135 G HA2 -0.181 3.780 3.960 0.002 0.000 0.685 135 G HA3 -0.181 3.780 3.960 0.002 0.000 0.685 135 G C -1.354 173.618 174.900 0.121 0.000 1.294 135 G CA -0.979 44.219 45.100 0.164 0.000 0.879 135 G HN 0.150 nan 8.290 nan 0.000 0.646 136 Q N -0.413 119.453 119.800 0.110 0.000 2.289 136 Q HA 0.454 4.795 4.340 0.002 0.000 0.273 136 Q C -0.222 175.753 176.000 -0.041 0.000 1.029 136 Q CA -0.120 55.696 55.803 0.021 0.000 0.896 136 Q CB 0.804 29.562 28.738 0.033 0.000 1.182 136 Q HN 0.605 nan 8.270 nan 0.000 0.385 137 V N 6.639 126.440 119.914 -0.189 0.000 2.448 137 V HA 0.169 4.290 4.120 0.002 0.000 0.295 137 V C 0.657 176.595 176.094 -0.260 0.000 1.025 137 V CA -0.404 61.680 62.300 -0.359 0.000 0.859 137 V CB 1.695 33.239 31.823 -0.465 0.000 0.988 137 V HN 0.879 nan 8.190 nan 0.000 0.431 138 L N 2.768 123.812 121.223 -0.298 0.000 2.408 138 L HA 0.362 4.703 4.340 0.002 0.000 0.215 138 L C 0.552 177.262 176.870 -0.266 0.000 1.081 138 L CA 0.559 55.257 54.840 -0.238 0.000 0.840 138 L CB 0.178 42.068 42.059 -0.282 0.000 1.002 138 L HN 0.679 nan 8.230 nan 0.000 0.468 139 N N -0.363 118.096 118.700 -0.402 0.000 2.367 139 N HA 0.464 5.205 4.740 0.002 0.000 0.278 139 N C -1.542 173.819 175.510 -0.247 0.000 1.117 139 N CA -0.368 52.542 53.050 -0.234 0.000 0.867 139 N CB 1.946 40.230 38.487 -0.340 0.000 1.649 139 N HN -0.060 nan 8.380 nan 0.000 0.479 140 I N 1.976 122.429 120.570 -0.196 0.000 2.410 140 I HA 0.348 4.519 4.170 0.002 0.000 0.286 140 I C 0.019 176.068 176.117 -0.113 0.000 1.009 140 I CA -0.525 60.655 61.300 -0.200 0.000 1.111 140 I CB 1.770 39.605 38.000 -0.275 0.000 1.262 140 I HN 0.458 nan 8.210 nan 0.000 0.443 144 R N 0.405 120.976 120.500 0.119 0.000 2.807 144 R HA 0.432 4.773 4.340 0.002 0.000 0.276 144 R C -0.025 176.316 176.300 0.069 0.000 0.979 144 R CA -0.859 55.309 56.100 0.113 0.000 0.928 144 R CB 2.235 32.604 30.300 0.114 0.000 1.191 144 R HN 0.727 nan 8.270 nan 0.000 0.471 145 T N -1.035 113.551 114.554 0.052 0.000 2.802 145 T HA 0.101 4.452 4.350 0.002 0.000 0.305 145 T C 1.383 176.095 174.700 0.020 0.000 1.053 145 T CA -0.426 61.687 62.100 0.023 0.000 1.058 145 T CB 0.440 69.317 68.868 0.015 0.000 0.988 145 T HN 0.467 nan 8.240 nan 0.000 0.539 146 L N 0.589 121.784 121.223 -0.047 0.000 2.549 146 L HA 0.003 4.344 4.340 0.002 0.000 0.229 146 L C 1.914 178.788 176.870 0.006 0.000 1.158 146 L CA 0.771 55.580 54.840 -0.052 0.000 0.842 146 L CB -0.612 41.382 42.059 -0.109 0.000 0.952 146 L HN 0.712 nan 8.230 nan 0.000 0.452 147 H N 0.258 119.344 119.070 0.028 0.000 2.551 147 H HA 0.149 4.706 4.556 0.002 0.000 0.271 147 H C 0.596 175.939 175.328 0.025 0.000 0.984 147 H CA -0.312 55.750 56.048 0.023 0.000 1.164 147 H CB 0.286 30.059 29.762 0.019 0.000 1.437 147 H HN 0.171 nan 8.280 nan 0.000 0.550 148 K N -1.216 119.268 120.400 0.140 0.000 3.423 148 K HA -0.117 4.204 4.320 0.002 0.000 0.306 148 K C 0.200 176.857 176.600 0.096 0.000 1.331 148 K CA 0.605 56.951 56.287 0.097 0.000 0.905 148 K CB -1.745 30.799 32.500 0.074 0.000 1.332 148 K HN 0.281 nan 8.250 nan 0.000 0.473 149 A N 1.172 124.058 122.820 0.111 0.000 2.363 149 A HA 0.477 4.798 4.320 0.002 0.000 0.270 149 A C -0.048 177.625 177.584 0.148 0.000 1.121 149 A CA -0.389 51.714 52.037 0.111 0.000 0.800 149 A CB 0.177 19.231 19.000 0.090 0.000 1.052 149 A HN 0.241 nan 8.150 nan 0.000 0.493 150 F N 2.039 121.974 119.950 -0.025 0.000 2.543 150 F HA 0.187 4.715 4.527 0.001 0.000 0.375 150 F C 1.149 176.922 175.800 -0.046 0.000 1.075 150 F CA -0.224 57.745 58.000 -0.052 0.000 1.225 150 F CB 0.661 39.613 39.000 -0.079 0.000 1.099 150 F HN 0.737 nan 8.300 nan 0.000 0.561 151 K N 3.628 123.789 120.400 -0.398 0.000 2.296 151 K HA 0.148 4.469 4.320 0.002 0.000 0.200 151 K C 1.333 177.492 176.600 -0.735 0.000 1.048 151 K CA 0.770 56.790 56.287 -0.444 0.000 0.966 151 K CB -0.136 32.219 32.500 -0.243 0.000 0.754 151 K HN 1.011 nan 8.250 nan 0.000 0.466 152 G N 1.425 109.260 108.800 -1.607 0.000 2.159 152 G HA2 -0.236 3.725 3.960 0.002 0.000 0.227 152 G HA3 -0.236 3.725 3.960 0.002 0.000 0.227 152 G C -0.012 174.544 174.900 -0.573 0.000 0.986 152 G CA 0.279 44.714 45.100 -1.110 0.000 0.651 152 G HN 0.388 nan 8.290 nan 0.000 0.523 153 S N -0.285 115.086 115.700 -0.549 0.000 2.568 153 S HA 0.885 5.356 4.470 0.002 0.000 0.293 153 S C -0.286 174.145 174.600 -0.282 0.000 1.089 153 S CA -0.279 57.709 58.200 -0.354 0.000 0.945 153 S CB 2.889 65.825 63.200 -0.439 0.000 1.077 153 S HN 1.608 nan 8.310 nan 0.000 0.485 154 I N -1.993 118.345 120.570 -0.387 0.000 3.074 154 I HA 0.750 4.921 4.170 0.002 0.000 0.310 154 I C -1.750 174.044 176.117 -0.537 0.000 1.153 154 I CA -1.646 59.443 61.300 -0.352 0.000 0.993 154 I CB 1.814 39.693 38.000 -0.202 0.000 1.237 154 I HN 0.625 nan 8.210 nan 0.000 0.443 155 F N 2.284 122.210 119.950 -0.041 0.000 2.450 155 F HA 0.724 5.252 4.527 0.002 0.000 0.332 155 F C -0.127 175.618 175.800 -0.092 0.000 1.093 155 F CA -1.066 56.921 58.000 -0.022 0.000 1.003 155 F CB 2.143 41.165 39.000 0.037 0.000 1.151 155 F HN 0.103 nan 8.300 nan 0.000 0.474 156 V N 3.334 123.295 119.914 0.079 0.000 2.656 156 V HA 0.460 4.581 4.120 0.002 0.000 0.307 156 V C -0.741 175.231 176.094 -0.202 0.000 1.051 156 V CA -0.857 61.332 62.300 -0.184 0.000 0.893 156 V CB 2.173 33.762 31.823 -0.389 0.000 0.999 156 V HN 0.488 nan 8.190 nan 0.000 0.426 157 V N 5.178 124.886 119.914 -0.342 0.000 2.370 157 V HA 0.495 4.616 4.120 0.002 0.000 0.283 157 V C -0.397 175.469 176.094 -0.381 0.000 1.023 157 V CA -0.430 61.688 62.300 -0.304 0.000 0.857 157 V CB 1.148 32.679 31.823 -0.486 0.000 0.985 157 V HN 0.626 nan 8.190 nan 0.000 0.443 158 F N 1.947 121.836 119.950 -0.100 0.000 2.380 158 F HA 0.297 4.825 4.527 0.002 0.000 0.321 158 F C 1.522 177.306 175.800 -0.026 0.000 1.103 158 F CA -0.225 57.731 58.000 -0.074 0.000 1.067 158 F CB 1.032 40.014 39.000 -0.030 0.000 1.265 158 F HN 0.566 nan 8.300 nan 0.000 0.517 159 D N -0.016 120.512 120.400 0.213 0.000 2.178 159 D HA -0.080 4.561 4.640 0.002 0.000 0.202 159 D C 0.064 176.452 176.300 0.146 0.000 0.974 159 D CA 1.225 55.311 54.000 0.144 0.000 0.841 159 D CB 0.209 41.081 40.800 0.119 0.000 0.953 159 D HN 0.367 nan 8.370 nan 0.000 0.478 160 S N -2.066 113.729 115.700 0.159 0.000 2.579 160 S HA 0.344 4.815 4.470 0.002 0.000 0.272 160 S C 1.103 175.773 174.600 0.116 0.000 1.141 160 S CA -0.752 57.517 58.200 0.115 0.000 0.843 160 S CB 0.600 63.848 63.200 0.079 0.000 1.122 160 S HN 0.047 nan 8.310 nan 0.000 0.468 161 I N 0.534 121.162 120.570 0.096 0.000 2.208 161 I HA -0.182 3.989 4.170 0.002 0.000 0.245 161 I C 2.376 178.537 176.117 0.072 0.000 1.097 161 I CA 1.483 62.845 61.300 0.103 0.000 1.363 161 I CB -0.754 37.281 38.000 0.058 0.000 1.051 161 I HN 0.623 nan 8.210 nan 0.000 0.413 162 E N 1.537 121.762 120.200 0.042 0.000 2.048 162 E HA -0.197 4.154 4.350 0.002 0.000 0.202 162 E C 2.398 178.982 176.600 -0.027 0.000 1.021 162 E CA 2.073 58.484 56.400 0.018 0.000 0.825 162 E CB -0.494 29.217 29.700 0.019 0.000 0.756 162 E HN 0.404 nan 8.360 nan 0.000 0.454 163 S N 0.649 116.317 115.700 -0.054 0.000 2.359 163 S HA -0.245 4.226 4.470 0.002 0.000 0.224 163 S C 2.111 176.400 174.600 -0.518 0.000 1.035 163 S CA 1.182 59.276 58.200 -0.176 0.000 1.018 163 S CB -0.669 62.501 63.200 -0.050 0.000 0.876 163 S HN 0.438 nan 8.310 nan 0.000 0.448 164 A N 2.109 124.605 122.820 -0.540 0.000 1.873 164 A HA -0.226 4.095 4.320 0.002 0.000 0.218 164 A C 2.112 179.536 177.584 -0.266 0.000 1.193 164 A CA 1.901 53.554 52.037 -0.640 0.000 0.629 164 A CB -0.615 18.413 19.000 0.047 0.000 0.826 164 A HN 0.488 nan 8.150 nan 0.000 0.447 165 K N -0.576 119.853 120.400 0.049 0.000 2.057 165 K HA -0.169 4.152 4.320 0.002 0.000 0.207 165 K C 2.267 178.865 176.600 -0.004 0.000 1.049 165 K CA 1.560 57.937 56.287 0.150 0.000 0.931 165 K CB -0.186 32.419 32.500 0.175 0.000 0.714 165 K HN 0.486 nan 8.250 nan 0.000 0.440 166 K N 0.561 120.928 120.400 -0.055 0.000 1.991 166 K HA -0.211 4.110 4.320 0.002 0.000 0.212 166 K C 2.085 178.649 176.600 -0.060 0.000 1.049 166 K CA 1.698 57.954 56.287 -0.051 0.000 0.932 166 K CB -0.290 32.181 32.500 -0.048 0.000 0.717 166 K HN 0.012 nan 8.250 nan 0.000 0.441 167 F N 1.549 121.336 119.950 -0.272 0.000 2.043 167 F HA -0.288 4.240 4.527 0.001 0.000 0.297 167 F C 1.985 177.688 175.800 -0.161 0.000 1.118 167 F CA 1.783 59.646 58.000 -0.228 0.000 1.202 167 F CB -0.623 38.159 39.000 -0.364 0.000 0.965 167 F HN -0.164 nan 8.300 nan 0.000 0.482 168 V N 0.322 120.055 119.914 -0.301 0.000 2.407 168 V HA -0.288 3.833 4.120 0.002 0.000 0.248 168 V C 1.954 177.907 176.094 -0.235 0.000 1.055 168 V CA 2.316 64.394 62.300 -0.370 0.000 1.049 168 V CB -0.804 30.716 31.823 -0.506 0.000 0.662 168 V HN 0.397 nan 8.190 nan 0.000 0.455 169 E N -0.542 119.576 120.200 -0.136 0.000 2.481 169 E HA -0.001 4.350 4.350 0.002 0.000 0.195 169 E C 0.518 177.059 176.600 -0.098 0.000 1.047 169 E CA 0.103 56.459 56.400 -0.073 0.000 0.867 169 E CB -0.030 29.661 29.700 -0.015 0.000 0.858 169 E HN 0.490 nan 8.360 nan 0.000 0.513 170 T N 3.323 117.782 114.554 -0.158 0.000 2.752 170 T HA 0.052 4.403 4.350 0.002 0.000 0.295 170 T C -1.525 173.090 174.700 -0.140 0.000 0.923 170 T CA -1.108 60.909 62.100 -0.139 0.000 1.112 170 T CB 1.103 69.879 68.868 -0.155 0.000 0.884 170 T HN 0.089 nan 8.240 nan 0.000 0.525 171 P HA 0.116 nan 4.420 nan 0.000 0.239 171 P C 1.670 178.939 177.300 -0.051 0.000 1.188 171 P CA 0.210 63.271 63.100 -0.066 0.000 0.794 171 P CB 0.059 31.734 31.700 -0.042 0.000 0.937 172 G N 0.485 109.259 108.800 -0.043 0.000 2.448 172 G HA2 -0.187 3.774 3.960 0.002 0.000 0.219 172 G HA3 -0.187 3.774 3.960 0.002 0.000 0.219 172 G C 0.824 175.729 174.900 0.007 0.000 1.127 172 G CA 0.123 45.213 45.100 -0.017 0.000 0.766 172 G HN 0.375 nan 8.290 nan 0.000 0.552 173 Q N 0.513 120.318 119.800 0.009 0.000 2.271 173 Q HA 0.369 4.710 4.340 0.002 0.000 0.273 173 Q C -0.526 175.556 176.000 0.137 0.000 1.051 173 Q CA 0.596 56.467 55.803 0.114 0.000 0.901 173 Q CB 0.690 29.514 28.738 0.143 0.000 1.174 173 Q HN 0.230 nan 8.270 nan 0.000 0.385 174 K N 1.943 122.480 120.400 0.227 0.000 2.375 174 K HA 0.317 4.638 4.320 0.002 0.000 0.249 174 K C -1.560 175.187 176.600 0.246 0.000 0.942 174 K CA -0.885 55.485 56.287 0.139 0.000 0.806 174 K CB 1.698 34.243 32.500 0.076 0.000 1.227 174 K HN 0.453 nan 8.250 nan 0.000 0.430 175 Y N 3.704 123.889 120.300 -0.192 0.000 2.385 175 Y HA 0.140 4.691 4.550 0.001 0.000 0.341 175 Y C 0.285 176.138 175.900 -0.079 0.000 0.965 175 Y CA 0.291 58.220 58.100 -0.285 0.000 1.180 175 Y CB 0.112 38.163 38.460 -0.681 0.000 1.139 175 Y HN 0.701 nan 8.280 nan 0.000 0.502 176 K N 1.932 122.129 120.400 -0.339 0.000 1.902 176 K HA -0.374 3.947 4.320 0.002 0.000 0.144 176 K C 0.938 177.498 176.600 -0.068 0.000 0.912 176 K CA 2.184 58.346 56.287 -0.208 0.000 0.315 176 K CB -0.709 31.643 32.500 -0.248 0.000 0.723 176 K HN 0.750 nan 8.250 nan 0.000 0.785 177 E N 0.991 121.165 120.200 -0.044 0.000 2.340 177 E HA -0.006 4.345 4.350 0.002 0.000 0.194 177 E C 0.321 176.910 176.600 -0.018 0.000 0.996 177 E CA 0.876 57.264 56.400 -0.021 0.000 0.869 177 E CB 0.311 30.003 29.700 -0.014 0.000 0.835 177 E HN 0.581 nan 8.360 nan 0.000 0.493 178 T N 0.236 114.778 114.554 -0.020 0.000 2.856 178 T HA 0.160 4.511 4.350 0.002 0.000 0.292 178 T C 0.041 174.700 174.700 -0.068 0.000 0.980 178 T CA -0.836 61.238 62.100 -0.043 0.000 1.091 178 T CB 1.546 70.380 68.868 -0.056 0.000 0.936 178 T HN -0.204 nan 8.240 nan 0.000 0.503 179 D N 2.216 122.576 120.400 -0.066 0.000 2.372 179 D HA 0.241 4.882 4.640 0.002 0.000 0.243 179 D C -0.031 176.190 176.300 -0.130 0.000 1.121 179 D CA -0.003 53.954 54.000 -0.072 0.000 0.898 179 D CB 1.072 41.843 40.800 -0.049 0.000 1.202 179 D HN 0.488 nan 8.370 nan 0.000 0.428 180 L N 2.088 123.227 121.223 -0.141 0.000 2.329 180 L HA 0.282 4.623 4.340 0.002 0.000 0.279 180 L C -0.228 176.557 176.870 -0.142 0.000 1.014 180 L CA -1.097 53.609 54.840 -0.222 0.000 0.814 180 L CB 1.807 43.685 42.059 -0.301 0.000 1.257 180 L HN 0.138 nan 8.230 nan 0.000 0.424 181 L N 4.909 126.050 121.223 -0.137 0.000 2.315 181 L HA 0.400 4.741 4.340 0.002 0.000 0.283 181 L C -0.527 176.310 176.870 -0.054 0.000 1.089 181 L CA 0.552 55.363 54.840 -0.048 0.000 0.833 181 L CB 0.233 42.312 42.059 0.034 0.000 1.170 181 L HN 0.348 nan 8.230 nan 0.000 0.442 182 I N 6.888 127.447 120.570 -0.017 0.000 2.411 182 I HA 0.374 4.545 4.170 0.002 0.000 0.284 182 I C -0.784 175.372 176.117 0.066 0.000 1.012 182 I CA -0.379 60.923 61.300 0.003 0.000 1.119 182 I CB 1.148 39.078 38.000 -0.117 0.000 1.261 182 I HN 0.488 nan 8.210 nan 0.000 0.448 183 L N 5.144 126.484 121.223 0.195 0.000 2.354 183 L HA 0.554 4.895 4.340 0.002 0.000 0.264 183 L C -0.511 176.462 176.870 0.172 0.000 1.008 183 L CA -0.790 54.168 54.840 0.195 0.000 0.819 183 L CB 2.000 44.220 42.059 0.267 0.000 1.339 183 L HN 0.293 nan 8.230 nan 0.000 0.420 184 F N 1.207 121.263 119.950 0.177 0.000 2.602 184 F HA -0.023 4.505 4.527 0.001 0.000 0.367 184 F C 1.676 177.564 175.800 0.146 0.000 1.126 184 F CA 0.335 58.431 58.000 0.159 0.000 1.321 184 F CB 0.564 39.620 39.000 0.094 0.000 1.094 184 F HN 0.548 nan 8.300 nan 0.000 0.594 185 K N 1.532 122.155 120.400 0.371 0.000 2.113 185 K HA -0.247 4.074 4.320 0.002 0.000 0.208 185 K C 1.516 178.154 176.600 0.063 0.000 1.047 185 K CA 1.799 58.218 56.287 0.219 0.000 0.928 185 K CB -0.094 32.467 32.500 0.102 0.000 0.716 185 K HN 0.665 nan 8.250 nan 0.000 0.446 186 D N 1.118 121.564 120.400 0.077 0.000 2.170 186 D HA -0.189 4.452 4.640 0.002 0.000 0.193 186 D C 1.122 177.306 176.300 -0.193 0.000 1.004 186 D CA 1.404 55.391 54.000 -0.022 0.000 0.860 186 D CB -0.076 40.730 40.800 0.010 0.000 0.931 186 D HN 0.317 nan 8.370 nan 0.000 0.448 187 D N -1.483 118.842 120.400 -0.126 0.000 2.350 187 D HA -0.040 4.601 4.640 0.002 0.000 0.213 187 D C 0.380 176.432 176.300 -0.414 0.000 1.031 187 D CA -0.078 53.809 54.000 -0.188 0.000 0.861 187 D CB -0.019 40.815 40.800 0.057 0.000 0.926 187 D HN 0.288 nan 8.370 nan 0.000 0.520 188 Y N 0.793 120.736 120.300 -0.596 0.000 2.308 188 Y HA 0.415 4.966 4.550 0.002 0.000 0.329 188 Y C -0.862 174.508 175.900 -0.882 0.000 1.111 188 Y CA -0.808 56.923 58.100 -0.614 0.000 1.179 188 Y CB 0.252 38.389 38.460 -0.539 0.000 1.201 188 Y HN -0.336 nan 8.280 nan 0.000 0.483 189 F N 0.000 119.429 119.950 -0.869 0.000 2.286 189 F HA 0.000 4.528 4.527 0.002 0.000 0.279 189 F CA 0.000 57.557 58.000 -0.739 0.000 1.383 189 F CB 0.000 38.808 39.000 -0.320 0.000 1.145 189 F HN 0.000 nan 8.300 nan 0.000 0.574