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 1gz0_1_H DATA FIRST_RESID -7 DATA SEQUENCE LVPRGSHXXS EXIYGIHAVQ ALLERAPERF QEVFILKGRE DKRLLPLIHA DATA SEQUENCE LESQGVVIQL ANRQYLDEKS DGAVHQGIIA RVKPGRQYQE NDLPDLIASL DATA SEQUENCE DQPFLLILDG VTDPHNLGAC LRSADAAGVH AVIVPKDRSA QLNATAKKVA DATA SEQUENCE CGAAESVPLI RVTNLARTXR XLQEENIWIV GTAGEADHTL YQSKXTGRLA DATA SEQUENCE LVXGAEGEGX RRLTREHCDE LISIPXAGSV SSLNVSVATG ICLFEAVRQR DATA SEQUENCE S 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 L HA 0.000 nan 4.340 nan 0.000 0.249 -7 L C 0.000 176.867 176.870 -0.005 0.000 1.165 -7 L CA 0.000 54.837 54.840 -0.004 0.000 0.813 -7 L CB 0.000 42.057 42.059 -0.004 0.000 0.961 -6 V N 0.885 120.796 119.914 -0.006 0.000 2.531 -6 V HA 0.581 4.701 4.120 -0.000 0.000 0.301 -6 V C -2.156 173.933 176.094 -0.009 0.000 1.034 -6 V CA -1.748 60.547 62.300 -0.008 0.000 0.865 -6 V CB 1.359 33.177 31.823 -0.009 0.000 0.995 -6 V HN 0.559 nan 8.190 nan 0.000 0.424 -5 P HA 0.255 nan 4.420 nan 0.000 0.266 -5 P C -0.043 177.247 177.300 -0.016 0.000 1.215 -5 P CA -0.171 62.921 63.100 -0.013 0.000 0.763 -5 P CB 0.371 32.062 31.700 -0.015 0.000 0.806 -4 R N 2.276 122.768 120.500 -0.013 0.000 2.590 -4 R HA 0.355 4.695 4.340 -0.000 0.000 0.274 -4 R C 0.669 176.954 176.300 -0.025 0.000 1.061 -4 R CA -0.109 55.982 56.100 -0.014 0.000 1.081 -4 R CB 0.272 30.569 30.300 -0.004 0.000 0.984 -4 R HN 0.637 nan 8.270 nan 0.000 0.448 -3 G N 1.155 109.931 108.800 -0.040 0.000 2.651 -3 G HA2 0.300 4.260 3.960 -0.000 0.000 0.260 -3 G HA3 0.300 4.260 3.960 -0.000 0.000 0.260 -3 G C -0.845 174.003 174.900 -0.086 0.000 1.216 -3 G CA -0.096 44.958 45.100 -0.076 0.000 0.913 -3 G HN 0.756 nan 8.290 nan 0.000 0.535 -2 S N -1.627 113.984 115.700 -0.148 0.000 2.671 -2 S HA 0.676 5.146 4.470 -0.000 0.000 0.277 -2 S C -0.999 173.443 174.600 -0.262 0.000 1.165 -2 S CA -0.944 57.188 58.200 -0.114 0.000 0.822 -2 S CB 1.831 65.015 63.200 -0.026 0.000 1.150 -2 S HN 0.755 nan 8.310 nan 0.000 0.479 6 Y N 1.444 121.804 120.300 0.099 0.000 2.609 6 Y HA 0.947 5.497 4.550 -0.000 0.000 0.336 6 Y C -0.289 175.691 175.900 0.133 0.000 1.129 6 Y CA -0.728 57.451 58.100 0.132 0.000 1.040 6 Y CB 1.137 39.684 38.460 0.145 0.000 1.310 6 Y HN 1.803 nan 8.280 nan 0.000 0.460 7 G N 1.145 110.184 108.800 0.400 0.000 2.629 7 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.686 7 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.686 7 G C -0.093 174.921 174.900 0.191 0.000 1.232 7 G CA -0.378 44.897 45.100 0.292 0.000 0.803 7 G HN 1.067 nan 8.290 nan 0.000 0.638 8 I N -0.180 120.495 120.570 0.175 0.000 2.142 8 I HA -0.189 3.981 4.170 -0.000 0.000 0.240 8 I C 2.403 178.599 176.117 0.132 0.000 1.078 8 I CA 2.105 63.490 61.300 0.142 0.000 1.343 8 I CB -0.358 37.719 38.000 0.128 0.000 1.046 8 I HN 0.778 nan 8.210 nan 0.000 0.405 9 H N 1.122 120.227 119.070 0.057 0.000 2.321 9 H HA -0.131 4.425 4.556 -0.000 0.000 0.300 9 H C 2.151 177.498 175.328 0.032 0.000 1.087 9 H CA 1.874 57.945 56.048 0.038 0.000 1.319 9 H CB -0.026 29.747 29.762 0.019 0.000 1.379 9 H HN 0.296 nan 8.280 nan 0.000 0.501 10 A N -0.096 122.723 122.820 -0.001 0.000 1.877 10 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 10 A C 2.693 180.251 177.584 -0.044 0.000 1.186 10 A CA 1.717 53.709 52.037 -0.074 0.000 0.620 10 A CB -0.943 18.015 19.000 -0.070 0.000 0.822 10 A HN 0.337 nan 8.150 nan 0.000 0.443 11 V N -0.057 119.891 119.914 0.057 0.000 2.407 11 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 11 V C 2.690 178.910 176.094 0.211 0.000 1.055 11 V CA 2.302 64.716 62.300 0.190 0.000 1.049 11 V CB -0.713 31.239 31.823 0.215 0.000 0.662 11 V HN 0.764 nan 8.190 nan 0.000 0.455 12 Q N -0.365 119.476 119.800 0.069 0.000 2.083 12 Q HA -0.119 4.221 4.340 -0.000 0.000 0.198 12 Q C 2.305 178.297 176.000 -0.013 0.000 0.969 12 Q CA 1.444 57.270 55.803 0.037 0.000 0.838 12 Q CB -0.228 28.510 28.738 0.000 0.000 0.900 12 Q HN 0.616 nan 8.270 nan 0.000 0.436 13 A N 0.870 123.599 122.820 -0.151 0.000 1.917 13 A HA -0.215 4.105 4.320 -0.000 0.000 0.219 13 A C 1.973 179.522 177.584 -0.058 0.000 1.182 13 A CA 1.434 53.365 52.037 -0.177 0.000 0.633 13 A CB -0.781 18.023 19.000 -0.327 0.000 0.819 13 A HN 0.469 nan 8.150 nan 0.000 0.448 14 L N -0.996 120.207 121.223 -0.033 0.000 2.005 14 L HA -0.096 4.244 4.340 -0.000 0.000 0.207 14 L C 2.288 179.229 176.870 0.118 0.000 1.072 14 L CA 1.922 56.729 54.840 -0.056 0.000 0.744 14 L CB -0.585 41.306 42.059 -0.281 0.000 0.895 14 L HN 0.369 nan 8.230 nan 0.000 0.433 15 L N -0.255 121.203 121.223 0.391 0.000 2.081 15 L HA -0.264 4.076 4.340 -0.000 0.000 0.212 15 L C 2.293 179.273 176.870 0.183 0.000 1.080 15 L CA 1.966 57.077 54.840 0.450 0.000 0.754 15 L CB -0.645 41.545 42.059 0.219 0.000 0.893 15 L HN 0.428 nan 8.230 nan 0.000 0.433 16 E N -1.436 118.826 120.200 0.103 0.000 2.299 16 E HA -0.081 4.269 4.350 -0.000 0.000 0.193 16 E C 2.132 178.759 176.600 0.044 0.000 0.998 16 E CA 0.632 57.065 56.400 0.056 0.000 0.851 16 E CB 0.096 29.814 29.700 0.030 0.000 0.795 16 E HN 0.500 nan 8.360 nan 0.000 0.492 17 R N -0.315 120.206 120.500 0.035 0.000 2.167 17 R HA 0.291 4.631 4.340 -0.000 0.000 0.201 17 R C 0.452 176.765 176.300 0.021 0.000 1.024 17 R CA 0.707 56.819 56.100 0.019 0.000 1.053 17 R CB 0.881 31.178 30.300 -0.004 0.000 0.987 17 R HN -0.081 nan 8.270 nan 0.000 0.493 18 A N 1.215 124.046 122.820 0.018 0.000 3.464 18 A HA 0.252 4.572 4.320 -0.000 0.000 0.243 18 A C -2.230 175.371 177.584 0.029 0.000 1.100 18 A CA -0.871 51.171 52.037 0.009 0.000 0.957 18 A CB 0.634 19.616 19.000 -0.030 0.000 1.340 18 A HN -0.063 nan 8.150 nan 0.000 0.645 19 P HA -0.216 nan 4.420 nan 0.000 0.221 19 P C 0.990 178.454 177.300 0.273 0.000 1.145 19 P CA 1.504 64.805 63.100 0.336 0.000 0.795 19 P CB 0.244 32.081 31.700 0.228 0.000 0.775 20 E N 0.849 121.121 120.200 0.120 0.000 2.418 20 E HA -0.140 4.210 4.350 -0.000 0.000 0.197 20 E C 1.719 178.350 176.600 0.052 0.000 1.026 20 E CA 0.601 57.052 56.400 0.084 0.000 0.862 20 E CB -0.732 28.997 29.700 0.049 0.000 0.799 20 E HN 0.298 nan 8.360 nan 0.000 0.518 21 R N -0.344 120.149 120.500 -0.012 0.000 2.275 21 R HA 0.155 4.495 4.340 -0.000 0.000 0.199 21 R C 0.034 176.266 176.300 -0.113 0.000 0.989 21 R CA -0.151 55.898 56.100 -0.086 0.000 1.016 21 R CB -0.074 30.131 30.300 -0.158 0.000 0.918 21 R HN 0.036 nan 8.270 nan 0.000 0.473 22 F N 0.857 120.807 119.950 0.001 0.000 2.518 22 F HA -0.007 4.520 4.527 -0.000 0.000 0.359 22 F C 1.620 177.414 175.800 -0.011 0.000 1.118 22 F CA 0.652 58.649 58.000 -0.005 0.000 1.287 22 F CB 0.886 39.876 39.000 -0.016 0.000 1.132 22 F HN -0.099 nan 8.300 nan 0.000 0.587 23 Q N 0.975 120.891 119.800 0.193 0.000 2.631 23 Q HA 0.155 4.495 4.340 -0.000 0.000 0.220 23 Q C -0.640 175.389 176.000 0.049 0.000 0.819 23 Q CA -0.008 55.852 55.803 0.095 0.000 0.914 23 Q CB 0.918 29.698 28.738 0.071 0.000 1.248 23 Q HN 0.743 nan 8.270 nan 0.000 0.629 24 E N -0.110 120.110 120.200 0.034 0.000 2.352 24 E HA 0.560 4.910 4.350 -0.000 0.000 0.280 24 E C -1.358 175.117 176.600 -0.207 0.000 0.930 24 E CA -0.665 55.649 56.400 -0.142 0.000 0.765 24 E CB 2.234 31.786 29.700 -0.247 0.000 1.219 24 E HN -0.141 nan 8.360 nan 0.000 0.434 25 V N 2.683 122.404 119.914 -0.321 0.000 2.667 25 V HA 0.529 4.649 4.120 -0.000 0.000 0.308 25 V C -1.048 174.767 176.094 -0.465 0.000 1.048 25 V CA -0.636 61.526 62.300 -0.231 0.000 0.928 25 V CB 1.162 32.916 31.823 -0.116 0.000 1.004 25 V HN 0.604 nan 8.190 nan 0.000 0.444 26 F N 4.670 124.645 119.950 0.042 0.000 2.467 26 F HA 0.727 5.254 4.527 0.000 0.000 0.336 26 F C 0.154 175.953 175.800 -0.002 0.000 1.123 26 F CA -0.648 57.363 58.000 0.017 0.000 0.964 26 F CB 1.562 40.581 39.000 0.031 0.000 1.136 26 F HN 0.365 nan 8.300 nan 0.000 0.447 27 I N 0.821 121.474 120.570 0.138 0.000 2.846 27 I HA 0.581 4.751 4.170 -0.000 0.000 0.307 27 I C -0.815 175.327 176.117 0.043 0.000 1.053 27 I CA -1.807 59.536 61.300 0.072 0.000 1.050 27 I CB 1.790 39.811 38.000 0.036 0.000 1.239 27 I HN 0.276 nan 8.210 nan 0.000 0.439 28 L N 1.104 122.346 121.223 0.031 0.000 2.678 28 L HA 0.243 4.583 4.340 -0.000 0.000 0.276 28 L C 0.571 177.445 176.870 0.006 0.000 1.142 28 L CA 0.062 54.912 54.840 0.016 0.000 0.961 28 L CB -1.278 40.805 42.059 0.039 0.000 1.291 28 L HN 0.691 nan 8.230 nan 0.000 0.476 29 K N 3.863 124.255 120.400 -0.015 0.000 2.405 29 K HA 0.241 4.561 4.320 -0.000 0.000 0.276 29 K C 1.196 177.790 176.600 -0.011 0.000 1.099 29 K CA 0.947 57.221 56.287 -0.022 0.000 1.120 29 K CB -0.403 32.067 32.500 -0.050 0.000 0.877 29 K HN 1.064 nan 8.250 nan 0.000 0.472 30 G N 4.316 113.114 108.800 -0.004 0.000 2.246 30 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.273 30 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.273 30 G C -0.573 174.332 174.900 0.008 0.000 1.055 30 G CA 0.196 45.296 45.100 0.001 0.000 0.851 30 G HN 0.685 nan 8.290 nan 0.000 0.500 31 R N -0.038 120.470 120.500 0.014 0.000 2.473 31 R HA 0.364 4.704 4.340 -0.000 0.000 0.303 31 R C -0.022 176.293 176.300 0.025 0.000 1.002 31 R CA -0.870 55.242 56.100 0.020 0.000 0.884 31 R CB 1.727 32.042 30.300 0.026 0.000 1.173 31 R HN 0.417 nan 8.270 nan 0.000 0.464 32 E N 1.956 122.169 120.200 0.022 0.000 2.437 32 E HA -0.081 4.269 4.350 -0.000 0.000 0.263 32 E C -0.640 175.976 176.600 0.027 0.000 1.030 32 E CA 0.675 57.088 56.400 0.022 0.000 0.934 32 E CB 0.623 30.333 29.700 0.016 0.000 0.943 32 E HN 0.389 nan 8.360 nan 0.000 0.444 33 D N 2.830 123.247 120.400 0.028 0.000 2.351 33 D HA 0.070 4.710 4.640 -0.000 0.000 0.235 33 D C 0.130 176.445 176.300 0.025 0.000 1.331 33 D CA -0.235 53.784 54.000 0.032 0.000 0.959 33 D CB 0.601 41.428 40.800 0.045 0.000 1.432 33 D HN 0.394 nan 8.370 nan 0.000 0.544 34 K N 1.032 121.442 120.400 0.017 0.000 2.163 34 K HA -0.238 4.082 4.320 -0.000 0.000 0.210 34 K C 1.838 178.444 176.600 0.011 0.000 1.048 34 K CA 1.375 57.667 56.287 0.009 0.000 0.928 34 K CB 0.244 32.749 32.500 0.008 0.000 0.716 34 K HN 0.218 nan 8.250 nan 0.000 0.459 35 R N 0.751 121.264 120.500 0.023 0.000 2.161 35 R HA 0.045 4.385 4.340 -0.000 0.000 0.213 35 R C 2.086 178.406 176.300 0.035 0.000 1.055 35 R CA 0.477 56.595 56.100 0.029 0.000 0.996 35 R CB 0.119 30.443 30.300 0.039 0.000 0.901 35 R HN 0.148 nan 8.270 nan 0.000 0.456 36 L N 0.182 121.429 121.223 0.039 0.000 2.095 36 L HA -0.105 4.235 4.340 -0.000 0.000 0.204 36 L C 1.901 178.796 176.870 0.042 0.000 1.080 36 L CA 0.460 55.328 54.840 0.046 0.000 0.759 36 L CB -0.290 41.802 42.059 0.054 0.000 0.914 36 L HN 0.165 nan 8.230 nan 0.000 0.439 37 L N 0.216 121.457 121.223 0.031 0.000 1.971 37 L HA -0.188 4.152 4.340 -0.000 0.000 0.215 37 L C -0.227 176.648 176.870 0.008 0.000 1.072 37 L CA 2.412 57.268 54.840 0.027 0.000 0.758 37 L CB -2.136 39.906 42.059 -0.028 0.000 0.889 37 L HN 0.123 nan 8.230 nan 0.000 0.433 38 P HA -0.231 nan 4.420 nan 0.000 0.216 38 P C 2.170 179.481 177.300 0.019 0.000 1.157 38 P CA 1.496 64.579 63.100 -0.027 0.000 0.880 38 P CB -0.002 31.688 31.700 -0.016 0.000 0.791 39 L N -1.139 120.100 121.223 0.027 0.000 2.027 39 L HA -0.132 4.208 4.340 -0.000 0.000 0.206 39 L C 2.261 179.142 176.870 0.019 0.000 1.074 39 L CA 1.555 56.408 54.840 0.023 0.000 0.745 39 L CB -0.637 41.438 42.059 0.026 0.000 0.898 39 L HN -0.131 nan 8.230 nan 0.000 0.433 40 I N -0.472 120.125 120.570 0.045 0.000 2.248 40 I HA -0.370 3.800 4.170 -0.000 0.000 0.248 40 I C 2.261 178.402 176.117 0.040 0.000 1.107 40 I CA 1.349 62.668 61.300 0.033 0.000 1.373 40 I CB -0.491 37.550 38.000 0.069 0.000 1.055 40 I HN 0.402 nan 8.210 nan 0.000 0.418 41 H N 0.249 119.289 119.070 -0.051 0.000 2.428 41 H HA 0.044 4.600 4.556 -0.000 0.000 0.296 41 H C 2.236 177.529 175.328 -0.059 0.000 1.062 41 H CA 1.116 57.134 56.048 -0.049 0.000 1.350 41 H CB -0.130 29.613 29.762 -0.032 0.000 1.403 41 H HN 0.298 nan 8.280 nan 0.000 0.533 42 A N 0.410 123.263 122.820 0.055 0.000 1.972 42 A HA -0.106 4.214 4.320 -0.000 0.000 0.219 42 A C 2.253 179.792 177.584 -0.074 0.000 1.169 42 A CA 1.145 53.180 52.037 -0.005 0.000 0.635 42 A CB -0.636 18.360 19.000 -0.007 0.000 0.810 42 A HN 0.352 nan 8.150 nan 0.000 0.446 43 L N -1.019 120.126 121.223 -0.130 0.000 2.072 43 L HA -0.147 4.193 4.340 -0.000 0.000 0.205 43 L C 2.544 179.306 176.870 -0.180 0.000 1.079 43 L CA 1.395 56.094 54.840 -0.235 0.000 0.752 43 L CB -0.622 41.249 42.059 -0.313 0.000 0.906 43 L HN 0.437 nan 8.230 nan 0.000 0.436 44 E N -0.110 119.997 120.200 -0.156 0.000 2.118 44 E HA -0.194 4.156 4.350 -0.000 0.000 0.195 44 E C 2.296 178.828 176.600 -0.113 0.000 0.992 44 E CA 1.500 57.805 56.400 -0.158 0.000 0.804 44 E CB -0.041 29.517 29.700 -0.237 0.000 0.741 44 E HN 0.364 nan 8.360 nan 0.000 0.458 45 S N 0.808 116.459 115.700 -0.081 0.000 2.368 45 S HA -0.139 4.331 4.470 -0.000 0.000 0.225 45 S C 1.787 176.357 174.600 -0.049 0.000 1.030 45 S CA 0.845 59.016 58.200 -0.048 0.000 0.999 45 S CB -0.067 63.121 63.200 -0.021 0.000 0.844 45 S HN 0.222 nan 8.310 nan 0.000 0.459 46 Q N 0.058 119.819 119.800 -0.065 0.000 2.482 46 Q HA 0.115 4.455 4.340 -0.000 0.000 0.209 46 Q C 1.182 177.149 176.000 -0.056 0.000 0.961 46 Q CA 0.558 56.330 55.803 -0.052 0.000 0.945 46 Q CB -0.048 28.655 28.738 -0.057 0.000 1.012 46 Q HN 0.678 nan 8.270 nan 0.000 0.515 47 G N 0.666 109.420 108.800 -0.077 0.000 2.182 47 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.248 47 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.248 47 G C 0.023 174.873 174.900 -0.083 0.000 1.042 47 G CA 0.228 45.285 45.100 -0.072 0.000 0.775 47 G HN 0.191 nan 8.290 nan 0.000 0.501 48 V N 0.627 120.463 119.914 -0.130 0.000 2.488 48 V HA 0.342 4.462 4.120 -0.000 0.000 0.277 48 V C 1.392 177.399 176.094 -0.146 0.000 1.046 48 V CA -0.652 61.556 62.300 -0.153 0.000 0.986 48 V CB 1.719 33.355 31.823 -0.311 0.000 0.989 48 V HN 0.288 nan 8.190 nan 0.000 0.475 49 V N 7.212 127.057 119.914 -0.116 0.000 2.475 49 V HA 0.058 4.177 4.120 -0.000 0.000 0.292 49 V C 0.242 176.227 176.094 -0.182 0.000 1.003 49 V CA 0.698 62.920 62.300 -0.130 0.000 1.120 49 V CB -0.036 31.719 31.823 -0.113 0.000 0.937 49 V HN 0.584 nan 8.190 nan 0.000 0.476 50 I N 6.130 126.599 120.570 -0.169 0.000 2.355 50 I HA 0.406 4.576 4.170 -0.000 0.000 0.288 50 I C 0.061 176.080 176.117 -0.163 0.000 0.999 50 I CA -0.264 60.928 61.300 -0.180 0.000 1.163 50 I CB 1.433 39.349 38.000 -0.141 0.000 1.316 50 I HN 0.620 nan 8.210 nan 0.000 0.454 51 Q N 5.387 125.056 119.800 -0.219 0.000 2.351 51 Q HA 0.666 5.006 4.340 -0.000 0.000 0.273 51 Q C -1.468 174.525 176.000 -0.010 0.000 1.077 51 Q CA -1.073 54.657 55.803 -0.121 0.000 0.843 51 Q CB 3.026 31.674 28.738 -0.148 0.000 1.367 51 Q HN 0.389 nan 8.270 nan 0.000 0.449 52 L N 1.203 122.440 121.223 0.023 0.000 2.313 52 L HA 0.735 5.075 4.340 -0.000 0.000 0.283 52 L C -0.442 176.421 176.870 -0.011 0.000 1.013 52 L CA -0.053 54.800 54.840 0.022 0.000 0.816 52 L CB 1.497 43.546 42.059 -0.017 0.000 1.236 52 L HN 0.741 nan 8.230 nan 0.000 0.419 53 A N 2.724 125.522 122.820 -0.037 0.000 2.464 53 A HA 0.855 5.175 4.320 -0.000 0.000 0.268 53 A C -0.623 176.779 177.584 -0.303 0.000 1.244 53 A CA -0.725 51.132 52.037 -0.299 0.000 0.871 53 A CB 0.757 19.616 19.000 -0.235 0.000 1.400 53 A HN 0.661 nan 8.150 nan 0.000 0.455 54 N N -0.711 117.707 118.700 -0.471 0.000 2.489 54 N HA 0.484 5.224 4.740 -0.000 0.000 0.284 54 N C 0.597 176.095 175.510 -0.019 0.000 1.158 54 N CA -0.580 52.364 53.050 -0.176 0.000 0.965 54 N CB 0.850 39.273 38.487 -0.107 0.000 1.195 54 N HN 0.637 nan 8.380 nan 0.000 0.506 55 R N 0.374 120.881 120.500 0.011 0.000 2.241 55 R HA -0.123 4.217 4.340 -0.000 0.000 0.224 55 R C 0.778 177.122 176.300 0.074 0.000 1.101 55 R CA 1.460 57.585 56.100 0.042 0.000 0.995 55 R CB 0.072 30.411 30.300 0.066 0.000 0.870 55 R HN 0.614 nan 8.270 nan 0.000 0.463 56 Q N -1.852 118.010 119.800 0.104 0.000 2.269 56 Q HA -0.085 4.255 4.340 -0.000 0.000 0.201 56 Q C 0.998 177.075 176.000 0.127 0.000 0.946 56 Q CA 0.898 56.769 55.803 0.113 0.000 0.877 56 Q CB 0.110 28.924 28.738 0.127 0.000 0.963 56 Q HN 0.333 nan 8.270 nan 0.000 0.472 57 Y N 0.028 120.271 120.300 -0.094 0.000 2.243 57 Y HA -0.095 4.455 4.550 -0.000 0.000 0.293 57 Y C 1.777 177.559 175.900 -0.197 0.000 1.124 57 Y CA 0.459 58.467 58.100 -0.154 0.000 1.159 57 Y CB -0.155 38.196 38.460 -0.183 0.000 1.008 57 Y HN 0.059 nan 8.280 nan 0.000 0.527 58 L N 0.063 121.261 121.223 -0.042 0.000 2.042 58 L HA -0.224 4.115 4.340 -0.000 0.000 0.210 58 L C 1.833 178.626 176.870 -0.128 0.000 1.076 58 L CA 1.805 56.482 54.840 -0.272 0.000 0.749 58 L CB -0.786 40.872 42.059 -0.668 0.000 0.893 58 L HN 0.197 nan 8.230 nan 0.000 0.432 59 D N -1.321 119.096 120.400 0.028 0.000 2.249 59 D HA -0.137 4.503 4.640 -0.000 0.000 0.205 59 D C 1.927 178.219 176.300 -0.013 0.000 0.962 59 D CA 0.552 54.598 54.000 0.076 0.000 0.860 59 D CB 0.247 41.100 40.800 0.088 0.000 0.955 59 D HN 0.482 nan 8.370 nan 0.000 0.505 60 E N 0.413 120.585 120.200 -0.047 0.000 2.371 60 E HA -0.073 4.277 4.350 -0.000 0.000 0.194 60 E C 1.356 177.892 176.600 -0.105 0.000 1.012 60 E CA 0.499 56.848 56.400 -0.086 0.000 0.860 60 E CB 0.348 29.968 29.700 -0.133 0.000 0.811 60 E HN -0.064 nan 8.360 nan 0.000 0.502 61 K N -0.268 120.067 120.400 -0.108 0.000 2.365 61 K HA 0.057 4.377 4.320 -0.000 0.000 0.195 61 K C 1.834 178.406 176.600 -0.047 0.000 1.079 61 K CA 0.740 56.967 56.287 -0.101 0.000 0.979 61 K CB 0.675 33.077 32.500 -0.165 0.000 0.929 61 K HN 0.039 nan 8.250 nan 0.000 0.523 62 S N 1.168 116.828 115.700 -0.066 0.000 2.634 62 S HA -0.014 4.456 4.470 -0.000 0.000 0.221 62 S C 0.795 175.287 174.600 -0.180 0.000 0.952 62 S CA 0.610 58.720 58.200 -0.150 0.000 0.930 62 S CB -0.074 62.973 63.200 -0.256 0.000 0.780 62 S HN 0.342 nan 8.310 nan 0.000 0.498 63 D N 0.816 121.166 120.400 -0.082 0.000 2.229 63 D HA -0.225 4.415 4.640 -0.000 0.000 0.162 63 D C 0.947 177.208 176.300 -0.066 0.000 1.436 63 D CA 1.963 55.928 54.000 -0.058 0.000 1.324 63 D CB -1.569 39.212 40.800 -0.031 0.000 1.258 63 D HN 1.298 nan 8.370 nan 0.000 0.477 64 G N -0.100 108.641 108.800 -0.100 0.000 2.276 64 G HA2 0.367 4.327 3.960 -0.000 0.000 0.177 64 G HA3 0.367 4.327 3.960 -0.000 0.000 0.177 64 G C 0.261 175.081 174.900 -0.133 0.000 1.017 64 G CA 0.901 45.953 45.100 -0.080 0.000 0.750 64 G HN 1.094 nan 8.290 nan 0.000 0.506 65 A N -0.281 122.387 122.820 -0.253 0.000 2.240 65 A HA 0.769 5.089 4.320 -0.000 0.000 0.292 65 A C 0.694 178.064 177.584 -0.356 0.000 1.121 65 A CA -0.087 51.760 52.037 -0.318 0.000 0.851 65 A CB 0.816 19.488 19.000 -0.546 0.000 1.167 65 A HN 0.989 nan 8.150 nan 0.000 0.503 66 V N 1.884 121.666 119.914 -0.220 0.000 2.287 66 V HA 0.082 4.202 4.120 -0.000 0.000 0.246 66 V C 0.953 176.998 176.094 -0.082 0.000 1.165 66 V CA 0.558 62.731 62.300 -0.210 0.000 1.088 66 V CB -1.292 30.497 31.823 -0.057 0.000 1.242 66 V HN 1.034 nan 8.190 nan 0.000 0.497 67 H N 1.967 121.039 119.070 0.004 0.000 2.470 67 H HA 0.025 4.581 4.556 -0.000 0.000 0.289 67 H C 1.136 176.556 175.328 0.153 0.000 1.033 67 H CA 0.585 56.711 56.048 0.130 0.000 1.331 67 H CB -0.301 29.488 29.762 0.045 0.000 1.414 67 H HN 0.620 nan 8.280 nan 0.000 0.545 68 Q N -0.486 119.419 119.800 0.176 0.000 2.493 68 Q HA -0.194 4.146 4.340 -0.000 0.000 0.260 68 Q C 1.089 177.253 176.000 0.273 0.000 0.905 68 Q CA 0.556 56.470 55.803 0.185 0.000 1.140 68 Q CB -1.941 26.889 28.738 0.152 0.000 1.435 68 Q HN 0.966 nan 8.270 nan 0.000 0.581 69 G N 0.168 109.269 108.800 0.503 0.000 2.157 69 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.239 69 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.239 69 G C -0.040 174.939 174.900 0.132 0.000 0.982 69 G CA 0.203 45.448 45.100 0.241 0.000 0.650 69 G HN 0.503 nan 8.290 nan 0.000 0.527 70 I N 0.454 121.128 120.570 0.174 0.000 2.607 70 I HA 0.704 4.874 4.170 -0.000 0.000 0.290 70 I C -0.826 175.415 176.117 0.206 0.000 1.129 70 I CA -1.340 60.053 61.300 0.156 0.000 1.042 70 I CB 1.506 39.593 38.000 0.145 0.000 1.242 70 I HN 0.042 nan 8.210 nan 0.000 0.421 71 I N 6.341 127.044 120.570 0.222 0.000 2.865 71 I HA 0.761 4.931 4.170 -0.000 0.000 0.302 71 I C -0.662 175.660 176.117 0.342 0.000 1.140 71 I CA -0.733 60.737 61.300 0.284 0.000 1.021 71 I CB 2.196 40.334 38.000 0.231 0.000 1.233 71 I HN 0.611 nan 8.210 nan 0.000 0.427 72 A N 4.011 127.024 122.820 0.321 0.000 2.449 72 A HA 0.724 5.044 4.320 -0.000 0.000 0.302 72 A C -0.997 176.742 177.584 0.259 0.000 1.048 72 A CA -0.652 51.571 52.037 0.311 0.000 0.708 72 A CB 1.906 21.131 19.000 0.375 0.000 1.274 72 A HN 0.774 nan 8.150 nan 0.000 0.410 73 R N 1.426 122.077 120.500 0.251 0.000 2.229 73 R HA 0.596 4.936 4.340 -0.000 0.000 0.332 73 R C -0.799 175.566 176.300 0.108 0.000 0.989 73 R CA -0.232 55.982 56.100 0.190 0.000 0.842 73 R CB 0.783 31.226 30.300 0.237 0.000 1.119 73 R HN 0.879 nan 8.270 nan 0.000 0.456 74 V N 0.442 120.378 119.914 0.037 0.000 3.001 74 V HA 0.570 4.690 4.120 -0.000 0.000 0.314 74 V C -0.681 175.399 176.094 -0.023 0.000 1.099 74 V CA -1.315 60.958 62.300 -0.044 0.000 0.989 74 V CB 2.008 33.712 31.823 -0.200 0.000 1.040 74 V HN 0.662 nan 8.190 nan 0.000 0.434 75 K N 1.900 122.282 120.400 -0.030 0.000 2.237 75 K HA 0.443 4.763 4.320 -0.000 0.000 0.270 75 K C -2.603 173.983 176.600 -0.024 0.000 1.015 75 K CA -1.402 54.883 56.287 -0.004 0.000 0.949 75 K CB 0.287 32.793 32.500 0.011 0.000 0.976 75 K HN 0.507 nan 8.250 nan 0.000 0.472 76 P HA -0.043 nan 4.420 nan 0.000 0.267 76 P C -0.167 177.120 177.300 -0.023 0.000 1.200 76 P CA -0.041 63.049 63.100 -0.018 0.000 0.772 76 P CB 0.512 32.204 31.700 -0.013 0.000 0.855 77 G N 1.979 110.765 108.800 -0.024 0.000 2.476 77 G HA2 0.252 4.212 3.960 -0.000 0.000 0.269 77 G HA3 0.252 4.212 3.960 -0.000 0.000 0.269 77 G C -0.434 174.465 174.900 -0.001 0.000 1.195 77 G CA -0.641 44.451 45.100 -0.013 0.000 0.843 77 G HN 0.504 nan 8.290 nan 0.000 0.545 78 R N 0.808 121.312 120.500 0.005 0.000 2.570 78 R HA 0.073 4.413 4.340 -0.000 0.000 0.277 78 R C -0.301 176.014 176.300 0.025 0.000 1.039 78 R CA 0.391 56.475 56.100 -0.026 0.000 1.065 78 R CB 0.234 30.486 30.300 -0.080 0.000 0.964 78 R HN 0.524 nan 8.270 nan 0.000 0.428 79 Q N 3.523 123.312 119.800 -0.019 0.000 2.394 79 Q HA 0.176 4.516 4.340 -0.000 0.000 0.259 79 Q C -1.314 174.701 176.000 0.024 0.000 1.021 79 Q CA -0.603 55.228 55.803 0.047 0.000 0.805 79 Q CB 1.217 29.966 28.738 0.018 0.000 1.226 79 Q HN 0.512 nan 8.270 nan 0.000 0.476 80 Y N 1.494 121.787 120.300 -0.012 0.000 2.497 80 Y HA -0.002 4.548 4.550 -0.000 0.000 0.334 80 Y C 0.707 176.601 175.900 -0.010 0.000 1.199 80 Y CA 0.496 58.590 58.100 -0.009 0.000 1.425 80 Y CB 0.548 39.004 38.460 -0.006 0.000 1.291 80 Y HN 0.380 nan 8.280 nan 0.000 0.562 81 Q N 1.086 120.947 119.800 0.102 0.000 2.359 81 Q HA 0.154 4.494 4.340 -0.000 0.000 0.275 81 Q C 0.973 177.015 176.000 0.070 0.000 1.082 81 Q CA -0.705 55.133 55.803 0.059 0.000 0.849 81 Q CB 1.524 30.268 28.738 0.010 0.000 1.377 81 Q HN 0.817 nan 8.270 nan 0.000 0.452 82 E N 0.948 121.174 120.200 0.043 0.000 2.187 82 E HA -0.272 4.078 4.350 -0.000 0.000 0.199 82 E C 0.497 177.118 176.600 0.035 0.000 1.004 82 E CA 1.913 58.334 56.400 0.035 0.000 0.813 82 E CB 0.219 29.930 29.700 0.017 0.000 0.736 82 E HN 0.514 nan 8.360 nan 0.000 0.468 83 N N 0.596 119.312 118.700 0.027 0.000 2.512 83 N HA -0.082 4.658 4.740 -0.000 0.000 0.183 83 N C 0.612 176.140 175.510 0.029 0.000 1.073 83 N CA 1.031 54.093 53.050 0.020 0.000 0.911 83 N CB 0.204 38.694 38.487 0.005 0.000 0.964 83 N HN 0.193 nan 8.380 nan 0.000 0.447 84 D N -0.105 120.327 120.400 0.054 0.000 2.346 84 D HA 0.019 4.659 4.640 -0.000 0.000 0.206 84 D C 1.720 178.086 176.300 0.110 0.000 1.001 84 D CA -0.047 53.999 54.000 0.078 0.000 0.871 84 D CB 0.036 40.895 40.800 0.098 0.000 0.943 84 D HN 0.102 nan 8.370 nan 0.000 0.518 85 L N 1.657 122.936 121.223 0.094 0.000 1.978 85 L HA -0.156 4.184 4.340 -0.000 0.000 0.218 85 L C -0.745 176.157 176.870 0.053 0.000 1.075 85 L CA 2.324 57.208 54.840 0.072 0.000 0.767 85 L CB -1.477 40.611 42.059 0.048 0.000 0.890 85 L HN -0.025 nan 8.230 nan 0.000 0.434 86 P HA -0.154 nan 4.420 nan 0.000 0.216 86 P C 1.075 178.394 177.300 0.031 0.000 1.153 86 P CA 1.710 64.828 63.100 0.031 0.000 0.858 86 P CB -0.031 31.684 31.700 0.025 0.000 0.789 87 D N -1.420 119.002 120.400 0.037 0.000 2.144 87 D HA -0.107 4.533 4.640 -0.000 0.000 0.200 87 D C 1.820 178.145 176.300 0.042 0.000 0.978 87 D CA 0.721 54.742 54.000 0.035 0.000 0.833 87 D CB -0.762 40.059 40.800 0.035 0.000 0.961 87 D HN 0.022 nan 8.370 nan 0.000 0.470 88 L N 0.684 121.947 121.223 0.065 0.000 1.976 88 L HA -0.088 4.252 4.340 -0.000 0.000 0.209 88 L C 2.123 178.998 176.870 0.007 0.000 1.071 88 L CA 1.459 56.332 54.840 0.056 0.000 0.746 88 L CB -0.554 41.548 42.059 0.073 0.000 0.890 88 L HN -0.014 nan 8.230 nan 0.000 0.432 89 I N -0.143 120.437 120.570 0.016 0.000 2.264 89 I HA -0.312 3.858 4.170 -0.000 0.000 0.248 89 I C 2.524 178.640 176.117 -0.001 0.000 1.111 89 I CA 1.239 62.544 61.300 0.009 0.000 1.382 89 I CB -0.641 37.376 38.000 0.028 0.000 1.060 89 I HN 0.405 nan 8.210 nan 0.000 0.418 90 A N 0.397 123.221 122.820 0.006 0.000 2.015 90 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 90 A C 2.389 179.967 177.584 -0.009 0.000 1.163 90 A CA 1.810 53.849 52.037 0.003 0.000 0.646 90 A CB -0.589 18.416 19.000 0.009 0.000 0.806 90 A HN 0.532 nan 8.150 nan 0.000 0.448 91 S N -1.268 114.422 115.700 -0.018 0.000 2.562 91 S HA 0.258 4.728 4.470 -0.000 0.000 0.221 91 S C 0.334 174.894 174.600 -0.067 0.000 0.975 91 S CA -0.118 58.064 58.200 -0.031 0.000 0.918 91 S CB -0.206 62.982 63.200 -0.021 0.000 0.772 91 S HN 0.121 nan 8.310 nan 0.000 0.531 92 L N 2.428 123.596 121.223 -0.092 0.000 2.309 92 L HA 0.503 4.843 4.340 -0.000 0.000 0.282 92 L C 1.079 177.911 176.870 -0.063 0.000 1.036 92 L CA -0.053 54.700 54.840 -0.146 0.000 0.806 92 L CB 1.232 43.123 42.059 -0.282 0.000 1.220 92 L HN 0.180 nan 8.230 nan 0.000 0.429 93 D N 1.349 121.723 120.400 -0.044 0.000 2.183 93 D HA -0.066 4.574 4.640 -0.000 0.000 0.205 93 D C 0.215 176.523 176.300 0.013 0.000 0.962 93 D CA 1.282 55.276 54.000 -0.009 0.000 0.849 93 D CB 0.643 41.440 40.800 -0.005 0.000 0.978 93 D HN 0.548 nan 8.370 nan 0.000 0.488 94 Q N 0.591 120.413 119.800 0.036 0.000 2.798 94 Q HA 0.314 4.654 4.340 -0.000 0.000 0.250 94 Q C -2.493 173.620 176.000 0.188 0.000 1.006 94 Q CA -1.812 54.037 55.803 0.077 0.000 0.759 94 Q CB 2.086 30.855 28.738 0.051 0.000 1.201 94 Q HN 0.164 nan 8.270 nan 0.000 0.486 95 P HA -0.036 nan 4.420 nan 0.000 0.265 95 P C -1.052 176.482 177.300 0.390 0.000 1.193 95 P CA 0.201 63.480 63.100 0.297 0.000 0.765 95 P CB 0.237 32.038 31.700 0.167 0.000 0.823 96 F N 5.422 125.522 119.950 0.249 0.000 2.676 96 F HA 0.411 4.938 4.527 -0.000 0.000 0.371 96 F C -1.492 174.279 175.800 -0.047 0.000 1.141 96 F CA -1.369 56.620 58.000 -0.017 0.000 1.133 96 F CB 0.117 38.977 39.000 -0.233 0.000 1.376 96 F HN 0.053 nan 8.300 nan 0.000 0.491 97 L N 5.270 126.598 121.223 0.175 0.000 2.330 97 L HA 0.605 4.945 4.340 -0.000 0.000 0.271 97 L C -1.160 175.672 176.870 -0.062 0.000 1.013 97 L CA -1.435 53.400 54.840 -0.008 0.000 0.816 97 L CB 2.201 44.291 42.059 0.052 0.000 1.287 97 L HN 0.416 nan 8.230 nan 0.000 0.435 98 L N 2.834 123.983 121.223 -0.124 0.000 2.333 98 L HA 0.587 4.927 4.340 -0.000 0.000 0.280 98 L C -0.841 175.995 176.870 -0.056 0.000 1.004 98 L CA 0.025 54.805 54.840 -0.100 0.000 0.820 98 L CB 1.429 43.394 42.059 -0.156 0.000 1.247 98 L HN 0.401 nan 8.230 nan 0.000 0.416 99 I N 6.264 126.817 120.570 -0.029 0.000 2.355 99 I HA 0.343 4.512 4.170 -0.000 0.000 0.288 99 I C -0.836 175.268 176.117 -0.021 0.000 0.999 99 I CA -0.465 60.821 61.300 -0.023 0.000 1.163 99 I CB 1.447 39.439 38.000 -0.014 0.000 1.316 99 I HN 0.452 nan 8.210 nan 0.000 0.454 100 L N 5.896 127.105 121.223 -0.023 0.000 2.265 100 L HA 0.388 4.728 4.340 -0.000 0.000 0.289 100 L C -0.566 176.295 176.870 -0.016 0.000 1.033 100 L CA -0.389 54.441 54.840 -0.018 0.000 0.814 100 L CB 1.078 43.126 42.059 -0.018 0.000 1.203 100 L HN 0.501 nan 8.230 nan 0.000 0.423 101 D N 2.840 123.231 120.400 -0.013 0.000 2.460 101 D HA 0.474 5.114 4.640 -0.000 0.000 0.232 101 D C 0.836 177.129 176.300 -0.010 0.000 1.079 101 D CA 0.377 54.369 54.000 -0.014 0.000 0.864 101 D CB 1.348 42.139 40.800 -0.015 0.000 1.048 101 D HN 0.722 nan 8.370 nan 0.000 0.523 102 G N 2.522 111.317 108.800 -0.009 0.000 2.179 102 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.220 102 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.220 102 G C 0.273 175.172 174.900 -0.003 0.000 0.990 102 G CA 0.011 45.108 45.100 -0.006 0.000 0.646 102 G HN 0.536 nan 8.290 nan 0.000 0.517 103 V N 2.972 122.885 119.914 -0.002 0.000 2.377 103 V HA 0.360 4.480 4.120 -0.000 0.000 0.254 103 V C 1.743 177.840 176.094 0.005 0.000 1.060 103 V CA 1.416 63.718 62.300 0.003 0.000 1.068 103 V CB 0.382 32.207 31.823 0.003 0.000 1.113 103 V HN 0.673 nan 8.190 nan 0.000 0.484 104 T N -0.577 113.981 114.554 0.007 0.000 3.040 104 T HA 0.076 4.426 4.350 -0.000 0.000 0.250 104 T C 0.520 175.229 174.700 0.015 0.000 1.058 104 T CA -0.210 61.894 62.100 0.008 0.000 0.988 104 T CB 0.158 69.029 68.868 0.004 0.000 0.993 104 T HN 0.509 nan 8.240 nan 0.000 0.519 105 D N 3.287 123.701 120.400 0.023 0.000 2.316 105 D HA 0.220 4.859 4.640 -0.000 0.000 0.245 105 D C -1.257 175.074 176.300 0.053 0.000 1.171 105 D CA -2.494 51.530 54.000 0.039 0.000 0.856 105 D CB 2.055 42.883 40.800 0.046 0.000 1.090 105 D HN 0.022 nan 8.370 nan 0.000 0.476 106 P HA -0.216 nan 4.420 nan 0.000 0.218 106 P C 1.340 178.664 177.300 0.039 0.000 1.148 106 P CA 1.033 64.153 63.100 0.034 0.000 0.822 106 P CB 0.170 31.886 31.700 0.027 0.000 0.784 107 H N 0.748 119.815 119.070 -0.005 0.000 2.321 107 H HA -0.083 4.473 4.556 -0.000 0.000 0.300 107 H C 1.689 177.013 175.328 -0.006 0.000 1.087 107 H CA 1.637 57.682 56.048 -0.005 0.000 1.319 107 H CB -0.386 29.373 29.762 -0.005 0.000 1.379 107 H HN 0.005 nan 8.280 nan 0.000 0.501 108 N N 1.040 119.854 118.700 0.190 0.000 2.120 108 N HA -0.141 4.599 4.740 -0.000 0.000 0.188 108 N C 2.278 177.807 175.510 0.031 0.000 1.024 108 N CA 0.933 54.053 53.050 0.117 0.000 0.852 108 N CB -0.669 37.865 38.487 0.080 0.000 1.003 108 N HN 0.296 nan 8.380 nan 0.000 0.424 109 L N 1.166 122.397 121.223 0.015 0.000 2.043 109 L HA -0.068 4.272 4.340 -0.000 0.000 0.212 109 L C 2.027 178.877 176.870 -0.033 0.000 1.075 109 L CA 2.010 56.844 54.840 -0.010 0.000 0.752 109 L CB -1.168 40.886 42.059 -0.009 0.000 0.891 109 L HN 0.169 nan 8.230 nan 0.000 0.432 110 G N -1.411 107.351 108.800 -0.062 0.000 2.408 110 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.217 110 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.217 110 G C 1.596 176.443 174.900 -0.087 0.000 1.150 110 G CA 0.751 45.797 45.100 -0.091 0.000 0.776 110 G HN 0.670 nan 8.290 nan 0.000 0.542 111 A N 0.143 122.908 122.820 -0.091 0.000 1.902 111 A HA -0.086 4.234 4.320 -0.000 0.000 0.217 111 A C 2.553 180.127 177.584 -0.017 0.000 1.181 111 A CA 1.800 53.807 52.037 -0.049 0.000 0.623 111 A CB -0.998 18.005 19.000 0.005 0.000 0.818 111 A HN 0.418 nan 8.150 nan 0.000 0.443 112 C N -0.883 118.410 119.300 -0.012 0.000 2.435 112 C HA 0.014 4.473 4.460 -0.000 0.000 0.279 112 C C 2.597 177.573 174.990 -0.023 0.000 1.321 112 C CA 0.772 59.785 59.018 -0.009 0.000 1.752 112 C CB -1.512 26.221 27.740 -0.011 0.000 1.959 112 C HN 0.619 nan 8.230 nan 0.000 0.500 113 L N 0.309 121.511 121.223 -0.034 0.000 2.017 113 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 113 L C 2.919 179.772 176.870 -0.029 0.000 1.073 113 L CA 1.468 56.283 54.840 -0.042 0.000 0.745 113 L CB -0.612 41.422 42.059 -0.043 0.000 0.894 113 L HN 0.334 nan 8.230 nan 0.000 0.432 114 R N -0.325 120.163 120.500 -0.019 0.000 2.094 114 R HA -0.191 4.149 4.340 -0.000 0.000 0.239 114 R C 2.428 178.744 176.300 0.026 0.000 1.137 114 R CA 2.133 58.233 56.100 0.000 0.000 0.943 114 R CB -0.172 30.125 30.300 -0.006 0.000 0.850 114 R HN 0.240 nan 8.270 nan 0.000 0.433 115 S N 0.310 116.032 115.700 0.036 0.000 2.368 115 S HA -0.161 4.309 4.470 -0.000 0.000 0.225 115 S C 1.979 176.636 174.600 0.095 0.000 1.030 115 S CA 1.136 59.398 58.200 0.104 0.000 0.999 115 S CB -0.294 62.968 63.200 0.102 0.000 0.844 115 S HN 0.573 nan 8.310 nan 0.000 0.459 116 A N 1.830 124.646 122.820 -0.006 0.000 1.865 116 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 116 A C 1.901 179.416 177.584 -0.115 0.000 1.191 116 A CA 2.167 54.139 52.037 -0.109 0.000 0.623 116 A CB -1.088 17.832 19.000 -0.134 0.000 0.826 116 A HN 0.552 nan 8.150 nan 0.000 0.444 117 D N -0.325 120.041 120.400 -0.057 0.000 2.092 117 D HA -0.081 4.559 4.640 -0.000 0.000 0.193 117 D C 1.959 178.261 176.300 0.003 0.000 0.994 117 D CA 2.001 55.979 54.000 -0.038 0.000 0.828 117 D CB -0.256 40.537 40.800 -0.012 0.000 0.963 117 D HN 0.352 nan 8.370 nan 0.000 0.450 118 A N 0.051 122.914 122.820 0.072 0.000 2.024 118 A HA 0.067 4.387 4.320 -0.000 0.000 0.220 118 A C 2.255 179.935 177.584 0.159 0.000 1.164 118 A CA 1.953 54.091 52.037 0.168 0.000 0.643 118 A CB -0.806 18.355 19.000 0.268 0.000 0.806 118 A HN 0.378 nan 8.150 nan 0.000 0.451 119 A N -2.033 120.790 122.820 0.004 0.000 2.218 119 A HA 0.428 4.748 4.320 -0.000 0.000 0.209 119 A C 1.695 179.194 177.584 -0.141 0.000 1.168 119 A CA 1.140 53.005 52.037 -0.286 0.000 0.804 119 A CB -0.703 18.058 19.000 -0.398 0.000 0.834 119 A HN 1.888 nan 8.150 nan 0.000 0.482 120 G N -0.895 107.826 108.800 -0.131 0.000 2.149 120 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.235 120 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.235 120 G C 0.082 174.788 174.900 -0.322 0.000 1.018 120 G CA 0.054 45.085 45.100 -0.115 0.000 0.728 120 G HN 0.699 nan 8.290 nan 0.000 0.508 121 V N 0.153 119.747 119.914 -0.534 0.000 2.637 121 V HA 0.256 4.375 4.120 -0.000 0.000 0.296 121 V C 1.713 177.534 176.094 -0.455 0.000 1.046 121 V CA 0.722 62.561 62.300 -0.769 0.000 1.066 121 V CB 0.917 32.326 31.823 -0.690 0.000 0.968 121 V HN 0.540 nan 8.190 nan 0.000 0.483 122 H N 2.581 121.557 119.070 -0.156 0.000 2.384 122 H HA 0.459 5.015 4.556 -0.000 0.000 0.300 122 H C 0.695 175.928 175.328 -0.159 0.000 1.057 122 H CA 0.862 56.846 56.048 -0.107 0.000 1.370 122 H CB 0.295 30.031 29.762 -0.043 0.000 1.417 122 H HN 0.712 nan 8.280 nan 0.000 0.527 123 A N 0.581 123.368 122.820 -0.056 0.000 2.520 123 A HA 0.545 4.865 4.320 -0.000 0.000 0.298 123 A C -1.374 176.141 177.584 -0.116 0.000 1.051 123 A CA -0.626 51.343 52.037 -0.113 0.000 0.690 123 A CB 1.517 20.461 19.000 -0.094 0.000 1.281 123 A HN 0.018 nan 8.150 nan 0.000 0.402 124 V N 2.746 122.591 119.914 -0.115 0.000 2.398 124 V HA 0.464 4.584 4.120 -0.000 0.000 0.286 124 V C -0.351 175.705 176.094 -0.062 0.000 1.026 124 V CA -0.169 62.076 62.300 -0.092 0.000 0.868 124 V CB 1.236 33.005 31.823 -0.089 0.000 0.982 124 V HN 0.697 nan 8.190 nan 0.000 0.443 125 I N 5.741 126.284 120.570 -0.045 0.000 2.404 125 I HA 0.660 4.830 4.170 -0.000 0.000 0.293 125 I C -0.428 175.674 176.117 -0.025 0.000 0.992 125 I CA -0.770 60.513 61.300 -0.028 0.000 1.149 125 I CB 1.981 39.969 38.000 -0.020 0.000 1.315 125 I HN 0.534 nan 8.210 nan 0.000 0.446 126 V N 4.485 124.388 119.914 -0.019 0.000 2.925 126 V HA 0.703 4.823 4.120 -0.000 0.000 0.311 126 V C -2.826 173.259 176.094 -0.016 0.000 1.104 126 V CA -2.334 59.955 62.300 -0.018 0.000 0.954 126 V CB 2.095 33.909 31.823 -0.016 0.000 1.022 126 V HN 0.511 nan 8.190 nan 0.000 0.427 127 P HA 0.298 nan 4.420 nan 0.000 0.282 127 P C 0.238 177.530 177.300 -0.013 0.000 1.274 127 P CA -0.179 62.910 63.100 -0.018 0.000 0.770 127 P CB 1.400 33.086 31.700 -0.022 0.000 0.867 128 K N 2.043 122.437 120.400 -0.011 0.000 2.077 128 K HA -0.170 4.150 4.320 -0.000 0.000 0.213 128 K C 0.705 177.301 176.600 -0.007 0.000 1.051 128 K CA 1.803 58.086 56.287 -0.008 0.000 0.929 128 K CB -0.202 32.294 32.500 -0.007 0.000 0.715 128 K HN 0.525 nan 8.250 nan 0.000 0.451 129 D N -0.477 119.917 120.400 -0.009 0.000 2.325 129 D HA -0.004 4.636 4.640 -0.000 0.000 0.225 129 D C 0.360 176.655 176.300 -0.008 0.000 1.096 129 D CA 0.336 54.331 54.000 -0.008 0.000 0.844 129 D CB 0.386 41.180 40.800 -0.009 0.000 0.925 129 D HN 0.070 nan 8.370 nan 0.000 0.513 130 R N 0.372 120.867 120.500 -0.009 0.000 2.583 130 R HA 0.197 4.537 4.340 -0.000 0.000 0.329 130 R C -1.163 175.133 176.300 -0.007 0.000 1.166 130 R CA -0.044 56.051 56.100 -0.008 0.000 1.264 130 R CB 0.461 30.755 30.300 -0.011 0.000 1.324 130 R HN -0.117 nan 8.270 nan 0.000 0.684 131 S N -0.538 115.159 115.700 -0.005 0.000 2.537 131 S HA 0.659 5.129 4.470 -0.000 0.000 0.270 131 S C -0.850 173.749 174.600 -0.001 0.000 1.142 131 S CA -0.365 57.833 58.200 -0.004 0.000 0.870 131 S CB 1.653 64.849 63.200 -0.007 0.000 1.112 131 S HN 0.407 nan 8.310 nan 0.000 0.466 132 A N 3.006 125.827 122.820 0.001 0.000 2.366 132 A HA 0.525 4.845 4.320 -0.000 0.000 0.250 132 A C 0.069 177.654 177.584 0.001 0.000 1.099 132 A CA -0.057 51.982 52.037 0.004 0.000 0.794 132 A CB 0.125 19.131 19.000 0.009 0.000 1.056 132 A HN 0.759 nan 8.150 nan 0.000 0.499 133 Q N -0.626 119.176 119.800 0.003 0.000 2.227 133 Q HA 0.278 4.618 4.340 -0.000 0.000 0.245 133 Q C -0.714 175.285 176.000 -0.001 0.000 0.926 133 Q CA -0.769 55.035 55.803 0.001 0.000 0.895 133 Q CB 1.547 30.286 28.738 0.003 0.000 1.230 133 Q HN 0.585 nan 8.270 nan 0.000 0.450 134 L N 4.313 125.534 121.223 -0.003 0.000 2.416 134 L HA 0.037 4.376 4.340 -0.000 0.000 0.243 134 L C -0.191 176.675 176.870 -0.007 0.000 1.373 134 L CA -0.033 54.803 54.840 -0.008 0.000 1.227 134 L CB -1.236 40.819 42.059 -0.007 0.000 1.428 134 L HN 0.461 nan 8.230 nan 0.000 0.425 135 N N 1.136 119.833 118.700 -0.005 0.000 2.364 135 N HA 0.277 5.017 4.740 -0.000 0.000 0.264 135 N C 1.216 176.722 175.510 -0.007 0.000 1.263 135 N CA 0.060 53.109 53.050 -0.001 0.000 0.959 135 N CB 0.240 38.730 38.487 0.006 0.000 1.204 135 N HN 0.172 nan 8.380 nan 0.000 0.550 136 A N -0.438 122.381 122.820 -0.002 0.000 1.917 136 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 136 A C 2.038 179.614 177.584 -0.014 0.000 1.182 136 A CA 2.296 54.328 52.037 -0.007 0.000 0.633 136 A CB -1.644 17.362 19.000 0.010 0.000 0.819 136 A HN 0.799 nan 8.150 nan 0.000 0.448 137 T N 0.031 114.583 114.554 -0.004 0.000 2.708 137 T HA -0.005 4.345 4.350 -0.000 0.000 0.266 137 T C 2.256 176.926 174.700 -0.050 0.000 1.037 137 T CA 1.653 63.748 62.100 -0.009 0.000 1.146 137 T CB -0.487 68.395 68.868 0.023 0.000 0.865 137 T HN 0.634 nan 8.240 nan 0.000 0.435 138 A N 1.658 124.453 122.820 -0.041 0.000 1.908 138 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 138 A C 2.244 179.788 177.584 -0.066 0.000 1.181 138 A CA 1.670 53.670 52.037 -0.061 0.000 0.627 138 A CB -0.446 18.534 19.000 -0.034 0.000 0.818 138 A HN 0.446 nan 8.150 nan 0.000 0.445 139 K N -0.652 119.721 120.400 -0.046 0.000 2.211 139 K HA -0.099 4.221 4.320 -0.000 0.000 0.203 139 K C 2.179 178.754 176.600 -0.041 0.000 1.050 139 K CA 1.314 57.576 56.287 -0.041 0.000 0.945 139 K CB -0.072 32.405 32.500 -0.037 0.000 0.732 139 K HN 0.489 nan 8.250 nan 0.000 0.451 140 K N 0.917 121.286 120.400 -0.050 0.000 2.031 140 K HA -0.069 4.251 4.320 -0.000 0.000 0.205 140 K C 1.863 178.420 176.600 -0.071 0.000 1.049 140 K CA 0.889 57.149 56.287 -0.045 0.000 0.939 140 K CB 0.147 32.623 32.500 -0.041 0.000 0.717 140 K HN -0.098 nan 8.250 nan 0.000 0.438 141 V N 1.471 121.306 119.914 -0.132 0.000 2.720 141 V HA -0.174 3.946 4.120 -0.000 0.000 0.256 141 V C 2.125 178.138 176.094 -0.134 0.000 1.082 141 V CA 1.734 63.909 62.300 -0.207 0.000 1.101 141 V CB -0.449 31.092 31.823 -0.470 0.000 0.693 141 V HN 0.412 nan 8.190 nan 0.000 0.479 142 A N -1.999 120.770 122.820 -0.086 0.000 2.235 142 A HA -0.073 4.247 4.320 -0.000 0.000 0.208 142 A C 1.459 179.046 177.584 0.004 0.000 1.172 142 A CA 0.608 52.618 52.037 -0.045 0.000 0.786 142 A CB -0.932 18.045 19.000 -0.039 0.000 0.804 142 A HN 0.582 nan 8.150 nan 0.000 0.479 143 C N -1.271 118.047 119.300 0.030 0.000 3.409 143 C HA -0.121 4.339 4.460 -0.000 0.000 0.273 143 C C 1.898 177.018 174.990 0.216 0.000 1.375 143 C CA 0.818 59.937 59.018 0.170 0.000 2.175 143 C CB -2.443 25.346 27.740 0.082 0.000 1.410 143 C HN 1.965 nan 8.230 nan 0.000 0.550 144 G N -0.672 108.192 108.800 0.106 0.000 2.299 144 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.237 144 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.237 144 G C 1.203 176.102 174.900 -0.002 0.000 1.027 144 G CA 1.057 46.165 45.100 0.014 0.000 0.619 144 G HN 1.930 nan 8.290 nan 0.000 0.513 145 A N 1.015 123.840 122.820 0.008 0.000 1.927 145 A HA 0.209 4.529 4.320 -0.000 0.000 0.220 145 A C 2.856 180.427 177.584 -0.021 0.000 1.185 145 A CA 3.285 55.317 52.037 -0.008 0.000 0.639 145 A CB -1.036 17.957 19.000 -0.011 0.000 0.820 145 A HN 2.008 nan 8.150 nan 0.000 0.451 146 A N -1.092 121.714 122.820 -0.023 0.000 2.186 146 A HA -0.102 4.218 4.320 -0.000 0.000 0.219 146 A C 1.709 179.280 177.584 -0.021 0.000 1.159 146 A CA 1.944 53.966 52.037 -0.025 0.000 0.680 146 A CB -0.351 18.633 19.000 -0.026 0.000 0.787 146 A HN 0.488 nan 8.150 nan 0.000 0.467 147 E N -0.952 119.233 120.200 -0.025 0.000 2.479 147 E HA 0.145 4.495 4.350 -0.000 0.000 0.193 147 E C 1.451 178.045 176.600 -0.010 0.000 1.049 147 E CA 0.714 57.100 56.400 -0.023 0.000 0.870 147 E CB 0.314 29.987 29.700 -0.045 0.000 0.944 147 E HN 0.528 nan 8.360 nan 0.000 0.492 148 S N -1.447 114.244 115.700 -0.014 0.000 2.741 148 S HA 0.175 4.645 4.470 -0.000 0.000 0.245 148 S C 0.389 174.967 174.600 -0.036 0.000 1.083 148 S CA -0.338 57.855 58.200 -0.011 0.000 0.873 148 S CB 1.079 64.274 63.200 -0.009 0.000 0.814 148 S HN -0.063 nan 8.310 nan 0.000 0.476 149 V N 5.822 125.703 119.914 -0.055 0.000 2.385 149 V HA 0.329 4.449 4.120 -0.000 0.000 0.269 149 V C -2.387 173.633 176.094 -0.124 0.000 1.043 149 V CA -1.958 60.285 62.300 -0.096 0.000 0.906 149 V CB 0.789 32.556 31.823 -0.095 0.000 0.995 149 V HN 0.236 nan 8.190 nan 0.000 0.467 150 P HA 0.176 nan 4.420 nan 0.000 0.271 150 P C -0.850 176.343 177.300 -0.180 0.000 1.220 150 P CA -0.362 62.554 63.100 -0.306 0.000 0.768 150 P CB 1.386 32.519 31.700 -0.945 0.000 0.848 151 L N 5.376 126.554 121.223 -0.075 0.000 2.276 151 L HA 0.423 4.763 4.340 -0.000 0.000 0.286 151 L C -0.464 176.405 176.870 -0.002 0.000 1.024 151 L CA -0.504 54.311 54.840 -0.042 0.000 0.826 151 L CB 0.318 42.363 42.059 -0.022 0.000 1.211 151 L HN 0.247 nan 8.230 nan 0.000 0.422 152 I N 5.322 125.887 120.570 -0.009 0.000 2.330 152 I HA 0.420 4.590 4.170 -0.000 0.000 0.289 152 I C 0.084 176.208 176.117 0.012 0.000 1.001 152 I CA -0.611 60.704 61.300 0.025 0.000 1.193 152 I CB 0.942 38.961 38.000 0.031 0.000 1.345 152 I HN 0.467 nan 8.210 nan 0.000 0.461 153 R N 5.027 125.538 120.500 0.017 0.000 2.265 153 R HA 0.588 4.928 4.340 -0.000 0.000 0.314 153 R C -0.773 175.530 176.300 0.005 0.000 1.053 153 R CA -0.577 55.526 56.100 0.006 0.000 0.931 153 R CB 1.854 32.158 30.300 0.006 0.000 1.024 153 R HN 0.354 nan 8.270 nan 0.000 0.457 154 V N 2.240 122.152 119.914 -0.003 0.000 2.769 154 V HA 0.131 4.251 4.120 -0.000 0.000 0.312 154 V C 0.852 176.938 176.094 -0.013 0.000 1.058 154 V CA -0.243 62.053 62.300 -0.007 0.000 0.952 154 V CB 2.250 34.066 31.823 -0.012 0.000 1.019 154 V HN 0.877 nan 8.190 nan 0.000 0.445 155 T N 2.121 116.667 114.554 -0.014 0.000 2.894 155 T HA 0.006 4.356 4.350 -0.000 0.000 0.258 155 T C 0.776 175.461 174.700 -0.025 0.000 1.043 155 T CA 0.900 62.990 62.100 -0.016 0.000 1.141 155 T CB -0.099 68.761 68.868 -0.013 0.000 0.873 155 T HN 0.511 nan 8.240 nan 0.000 0.449 156 N N 1.022 119.702 118.700 -0.033 0.000 2.617 156 N HA 0.173 4.913 4.740 -0.000 0.000 0.263 156 N C 0.445 175.914 175.510 -0.068 0.000 1.074 156 N CA -0.262 52.758 53.050 -0.049 0.000 0.841 156 N CB 1.276 39.733 38.487 -0.049 0.000 1.221 156 N HN -0.022 nan 8.380 nan 0.000 0.529 157 L N 4.367 125.548 121.223 -0.071 0.000 2.021 157 L HA -0.131 4.209 4.340 -0.000 0.000 0.215 157 L C 2.089 178.876 176.870 -0.138 0.000 1.074 157 L CA 2.511 57.302 54.840 -0.081 0.000 0.760 157 L CB -0.711 41.308 42.059 -0.067 0.000 0.889 157 L HN 0.614 nan 8.230 nan 0.000 0.433 158 A N -0.802 121.887 122.820 -0.219 0.000 1.908 158 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 158 A C 2.440 179.815 177.584 -0.348 0.000 1.181 158 A CA 1.796 53.553 52.037 -0.466 0.000 0.627 158 A CB -0.564 18.062 19.000 -0.622 0.000 0.818 158 A HN 0.491 nan 8.150 nan 0.000 0.445 159 R N -0.502 119.886 120.500 -0.187 0.000 2.073 159 R HA -0.056 4.284 4.340 -0.000 0.000 0.234 159 R C 0.858 177.121 176.300 -0.062 0.000 1.134 159 R CA 1.286 57.329 56.100 -0.095 0.000 0.952 159 R CB -0.901 29.365 30.300 -0.057 0.000 0.850 159 R HN 0.510 nan 8.270 nan 0.000 0.433 165 Q N 1.294 121.123 119.800 0.049 0.000 2.124 165 Q HA -0.178 4.162 4.340 -0.000 0.000 0.202 165 Q C 1.451 177.486 176.000 0.058 0.000 0.977 165 Q CA 1.813 57.650 55.803 0.056 0.000 0.850 165 Q CB 0.064 28.827 28.738 0.042 0.000 0.901 165 Q HN 0.463 nan 8.270 nan 0.000 0.429 166 E N 0.573 120.801 120.200 0.048 0.000 2.204 166 E HA -0.152 4.198 4.350 -0.000 0.000 0.195 166 E C 0.980 177.607 176.600 0.044 0.000 0.990 166 E CA 0.578 57.004 56.400 0.042 0.000 0.821 166 E CB 0.150 29.871 29.700 0.034 0.000 0.750 166 E HN 0.267 nan 8.360 nan 0.000 0.477 167 E N 0.604 120.833 120.200 0.048 0.000 2.368 167 E HA 0.018 4.368 4.350 -0.000 0.000 0.188 167 E C -0.445 176.191 176.600 0.060 0.000 1.061 167 E CA -0.082 56.347 56.400 0.048 0.000 0.933 167 E CB -0.183 29.544 29.700 0.045 0.000 1.091 167 E HN 0.249 nan 8.360 nan 0.000 0.458 168 N N 0.123 118.866 118.700 0.072 0.000 2.714 168 N HA -0.210 4.530 4.740 -0.000 0.000 0.250 168 N C -0.548 175.036 175.510 0.123 0.000 1.117 168 N CA 0.433 53.539 53.050 0.093 0.000 0.719 168 N CB -1.359 37.170 38.487 0.070 0.000 1.081 168 N HN 0.263 nan 8.380 nan 0.000 0.557 169 I N 0.342 120.987 120.570 0.125 0.000 2.365 169 I HA 0.126 4.296 4.170 -0.000 0.000 0.291 169 I C 0.540 176.789 176.117 0.220 0.000 1.004 169 I CA -0.452 60.941 61.300 0.156 0.000 1.311 169 I CB 0.492 38.564 38.000 0.121 0.000 1.401 169 I HN 0.170 nan 8.210 nan 0.000 0.491 170 W N 8.222 129.543 121.300 0.036 0.000 2.316 170 W HA 0.458 5.118 4.660 0.000 0.000 0.311 170 W C -1.234 175.311 176.519 0.044 0.000 1.217 170 W CA -0.656 56.709 57.345 0.034 0.000 1.199 170 W CB 0.896 30.371 29.460 0.025 0.000 1.202 170 W HN 0.321 nan 8.180 nan 0.000 0.528 171 I N 7.138 127.543 120.570 -0.274 0.000 2.330 171 I HA 0.148 4.318 4.170 -0.000 0.000 0.289 171 I C -0.365 175.557 176.117 -0.326 0.000 1.001 171 I CA -0.855 60.319 61.300 -0.210 0.000 1.193 171 I CB 1.338 39.246 38.000 -0.153 0.000 1.345 171 I HN -0.034 nan 8.210 nan 0.000 0.461 172 V N 5.198 125.056 119.914 -0.093 0.000 2.384 172 V HA 0.651 4.771 4.120 -0.000 0.000 0.287 172 V C 0.547 176.628 176.094 -0.021 0.000 1.020 172 V CA -0.549 61.732 62.300 -0.033 0.000 0.850 172 V CB 1.346 33.241 31.823 0.121 0.000 0.987 172 V HN 0.866 nan 8.190 nan 0.000 0.436 173 G N 2.017 110.790 108.800 -0.045 0.000 2.416 173 G HA2 0.562 4.522 3.960 -0.000 0.000 0.329 173 G HA3 0.562 4.522 3.960 -0.000 0.000 0.329 173 G C -0.412 174.463 174.900 -0.042 0.000 1.173 173 G CA -0.452 44.625 45.100 -0.038 0.000 0.929 173 G HN 0.564 nan 8.290 nan 0.000 0.475 174 T N 1.094 115.628 114.554 -0.034 0.000 2.727 174 T HA 0.606 4.956 4.350 -0.000 0.000 0.298 174 T C 0.120 174.793 174.700 -0.045 0.000 0.942 174 T CA 0.092 62.166 62.100 -0.044 0.000 0.997 174 T CB 0.984 69.834 68.868 -0.030 0.000 0.917 174 T HN 0.922 nan 8.240 nan 0.000 0.487 175 A N 2.288 125.071 122.820 -0.061 0.000 2.455 175 A HA 0.748 5.068 4.320 -0.000 0.000 0.300 175 A C 1.225 178.774 177.584 -0.058 0.000 1.040 175 A CA -0.587 51.420 52.037 -0.051 0.000 0.697 175 A CB 1.243 20.215 19.000 -0.047 0.000 1.265 175 A HN 0.761 nan 8.150 nan 0.000 0.407 176 G N 0.723 109.497 108.800 -0.043 0.000 2.450 176 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.220 176 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.220 176 G C 0.866 175.742 174.900 -0.040 0.000 1.130 176 G CA 1.176 46.252 45.100 -0.040 0.000 0.760 176 G HN 0.941 nan 8.290 nan 0.000 0.557 177 E N 0.624 120.802 120.200 -0.037 0.000 2.526 177 E HA 0.370 4.720 4.350 -0.000 0.000 0.198 177 E C 1.214 177.790 176.600 -0.040 0.000 1.091 177 E CA 0.077 56.458 56.400 -0.031 0.000 0.880 177 E CB -0.098 29.588 29.700 -0.024 0.000 0.873 177 E HN 0.345 nan 8.360 nan 0.000 0.527 178 A N 2.365 125.144 122.820 -0.070 0.000 2.366 178 A HA 0.075 4.395 4.320 -0.000 0.000 0.249 178 A C 0.601 178.140 177.584 -0.075 0.000 1.084 178 A CA 0.115 52.088 52.037 -0.108 0.000 0.794 178 A CB 0.398 19.269 19.000 -0.214 0.000 1.034 178 A HN 0.328 nan 8.150 nan 0.000 0.491 179 D N -1.148 119.232 120.400 -0.034 0.000 2.367 179 D HA 0.038 4.678 4.640 -0.000 0.000 0.207 179 D C 0.513 176.881 176.300 0.113 0.000 1.034 179 D CA 1.022 55.057 54.000 0.058 0.000 0.861 179 D CB -0.059 40.809 40.800 0.113 0.000 0.943 179 D HN 0.672 nan 8.370 nan 0.000 0.515 180 H N -1.724 117.353 119.070 0.012 0.000 2.949 180 H HA 0.565 5.121 4.556 -0.000 0.000 0.356 180 H C -0.391 174.934 175.328 -0.005 0.000 1.212 180 H CA -0.627 55.430 56.048 0.015 0.000 1.136 180 H CB 0.702 30.481 29.762 0.028 0.000 1.869 180 H HN -0.025 nan 8.280 nan 0.000 0.556 181 T N -1.551 113.017 114.554 0.023 0.000 2.897 181 T HA 0.302 4.652 4.350 -0.000 0.000 0.278 181 T C 1.816 176.451 174.700 -0.108 0.000 0.981 181 T CA -0.436 61.603 62.100 -0.103 0.000 0.973 181 T CB 0.735 69.547 68.868 -0.094 0.000 1.092 181 T HN 0.691 nan 8.240 nan 0.000 0.543 182 L N -1.421 119.628 121.223 -0.290 0.000 2.265 182 L HA 0.038 4.378 4.340 -0.000 0.000 0.215 182 L C 2.028 178.818 176.870 -0.134 0.000 1.117 182 L CA 1.020 55.725 54.840 -0.224 0.000 0.782 182 L CB -1.149 40.736 42.059 -0.290 0.000 0.914 182 L HN 0.522 nan 8.230 nan 0.000 0.441 183 Y N 1.157 121.504 120.300 0.078 0.000 2.509 183 Y HA -0.050 4.500 4.550 -0.000 0.000 0.293 183 Y C 2.220 178.164 175.900 0.073 0.000 1.133 183 Y CA 0.563 58.703 58.100 0.066 0.000 1.283 183 Y CB -0.682 37.809 38.460 0.051 0.000 1.001 183 Y HN 0.437 nan 8.280 nan 0.000 0.555 184 Q N -0.890 119.032 119.800 0.202 0.000 2.280 184 Q HA 0.136 4.476 4.340 -0.000 0.000 0.201 184 Q C 0.442 176.530 176.000 0.146 0.000 0.890 184 Q CA -0.075 55.827 55.803 0.164 0.000 0.947 184 Q CB 0.630 29.471 28.738 0.173 0.000 1.081 184 Q HN 0.072 nan 8.270 nan 0.000 0.502 185 S N 0.710 116.514 115.700 0.174 0.000 2.525 185 S HA 0.354 4.824 4.470 -0.000 0.000 0.290 185 S C -0.467 174.183 174.600 0.085 0.000 1.152 185 S CA -0.686 57.615 58.200 0.169 0.000 1.072 185 S CB 1.152 64.484 63.200 0.219 0.000 1.027 185 S HN 0.188 nan 8.310 nan 0.000 0.500 189 G N 1.122 109.861 108.800 -0.103 0.000 2.525 189 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.248 189 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.248 189 G C -0.659 174.236 174.900 -0.009 0.000 1.238 189 G CA -0.160 44.904 45.100 -0.058 0.000 0.926 189 G HN 1.023 nan 8.290 nan 0.000 0.574 190 R N -0.023 120.498 120.500 0.035 0.000 2.248 190 R HA 0.552 4.892 4.340 -0.000 0.000 0.328 190 R C -0.044 176.344 176.300 0.146 0.000 1.067 190 R CA -0.062 56.094 56.100 0.092 0.000 0.924 190 R CB 0.685 31.041 30.300 0.094 0.000 1.013 190 R HN 0.626 nan 8.270 nan 0.000 0.454 191 L N 1.351 122.674 121.223 0.167 0.000 2.434 191 L HA 0.703 5.043 4.340 -0.000 0.000 0.260 191 L C -1.534 175.477 176.870 0.235 0.000 0.983 191 L CA -0.536 54.434 54.840 0.216 0.000 0.820 191 L CB 2.194 44.356 42.059 0.172 0.000 1.361 191 L HN 0.717 nan 8.230 nan 0.000 0.410 192 A N 4.108 127.043 122.820 0.191 0.000 2.343 192 A HA 0.690 5.010 4.320 -0.000 0.000 0.308 192 A C -1.673 175.981 177.584 0.117 0.000 1.092 192 A CA -0.452 51.665 52.037 0.135 0.000 0.751 192 A CB 1.496 20.543 19.000 0.079 0.000 1.203 192 A HN 0.649 nan 8.150 nan 0.000 0.452 193 L N 3.965 125.254 121.223 0.109 0.000 2.295 193 L HA 0.774 5.114 4.340 -0.000 0.000 0.285 193 L C -0.533 176.357 176.870 0.033 0.000 1.035 193 L CA -0.026 54.865 54.840 0.086 0.000 0.806 193 L CB 1.545 43.673 42.059 0.116 0.000 1.214 193 L HN 0.501 nan 8.230 nan 0.000 0.426 197 A N -0.087 122.730 122.820 -0.005 0.000 2.406 197 A HA 0.513 4.833 4.320 -0.000 0.000 0.243 197 A C 1.330 178.912 177.584 -0.003 0.000 1.082 197 A CA 0.647 52.682 52.037 -0.002 0.000 0.786 197 A CB 0.183 19.182 19.000 -0.002 0.000 1.029 197 A HN 0.763 nan 8.150 nan 0.000 0.495 198 E N 1.161 121.360 120.200 -0.002 0.000 2.049 198 E HA -0.210 4.140 4.350 -0.000 0.000 0.198 198 E C 2.010 178.607 176.600 -0.005 0.000 1.007 198 E CA 1.705 58.103 56.400 -0.004 0.000 0.809 198 E CB -0.315 29.383 29.700 -0.003 0.000 0.749 198 E HN 0.867 nan 8.360 nan 0.000 0.450 199 G N 1.646 110.443 108.800 -0.005 0.000 2.866 199 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.207 199 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.207 199 G C 1.173 176.069 174.900 -0.006 0.000 1.402 199 G CA 0.909 46.006 45.100 -0.005 0.000 0.830 199 G HN 0.308 nan 8.290 nan 0.000 0.644 200 E N 0.590 120.786 120.200 -0.006 0.000 2.347 200 E HA 0.282 4.632 4.350 -0.000 0.000 0.196 200 E C 1.431 178.026 176.600 -0.007 0.000 1.008 200 E CA 0.183 56.580 56.400 -0.006 0.000 0.852 200 E CB -0.198 29.499 29.700 -0.005 0.000 0.783 200 E HN 0.702 nan 8.360 nan 0.000 0.505 204 R N 0.869 121.374 120.500 0.007 0.000 2.083 204 R HA -0.072 4.268 4.340 -0.000 0.000 0.237 204 R C 1.812 178.133 176.300 0.034 0.000 1.137 204 R CA 1.804 57.912 56.100 0.013 0.000 0.951 204 R CB -0.199 30.107 30.300 0.010 0.000 0.851 204 R HN 0.503 nan 8.270 nan 0.000 0.434 205 L N -0.209 121.042 121.223 0.046 0.000 2.127 205 L HA -0.207 4.133 4.340 -0.000 0.000 0.211 205 L C 2.276 179.236 176.870 0.149 0.000 1.089 205 L CA 1.603 56.503 54.840 0.101 0.000 0.757 205 L CB -0.544 41.543 42.059 0.047 0.000 0.899 205 L HN 0.345 nan 8.230 nan 0.000 0.434 206 T N -1.174 113.415 114.554 0.057 0.000 2.732 206 T HA -0.201 4.149 4.350 -0.000 0.000 0.261 206 T C 1.994 176.728 174.700 0.057 0.000 1.040 206 T CA 1.114 63.239 62.100 0.041 0.000 1.145 206 T CB -0.177 68.692 68.868 0.001 0.000 0.866 206 T HN 0.234 nan 8.240 nan 0.000 0.427 207 R N 1.092 121.608 120.500 0.026 0.000 2.117 207 R HA -0.120 4.219 4.340 -0.000 0.000 0.243 207 R C 2.175 178.469 176.300 -0.009 0.000 1.143 207 R CA 1.613 57.712 56.100 -0.001 0.000 0.968 207 R CB -0.124 30.170 30.300 -0.010 0.000 0.863 207 R HN 0.462 nan 8.270 nan 0.000 0.444 208 E N -1.390 118.819 120.200 0.015 0.000 2.338 208 E HA -0.147 4.203 4.350 -0.000 0.000 0.197 208 E C 0.588 177.084 176.600 -0.174 0.000 1.007 208 E CA 0.799 57.165 56.400 -0.058 0.000 0.849 208 E CB 0.165 29.840 29.700 -0.041 0.000 0.774 208 E HN 0.517 nan 8.360 nan 0.000 0.506 209 H N -1.741 117.292 119.070 -0.062 0.000 2.505 209 H HA 0.206 4.762 4.556 -0.000 0.000 0.289 209 H C -0.521 174.742 175.328 -0.109 0.000 1.052 209 H CA -0.450 55.555 56.048 -0.072 0.000 1.156 209 H CB 0.215 29.945 29.762 -0.053 0.000 1.507 209 H HN 0.025 nan 8.280 nan 0.000 0.548 210 C N 0.493 119.753 119.300 -0.066 0.000 2.365 210 C HA 0.114 4.574 4.460 -0.000 0.000 0.351 210 C C 1.512 176.345 174.990 -0.262 0.000 1.240 210 C CA -0.682 58.246 59.018 -0.149 0.000 2.062 210 C CB 1.354 29.022 27.740 -0.120 0.000 2.387 210 C HN 0.602 nan 8.230 nan 0.000 0.537 211 D N 0.572 120.685 120.400 -0.479 0.000 2.317 211 D HA -0.003 4.637 4.640 -0.000 0.000 0.211 211 D C 0.599 176.559 176.300 -0.566 0.000 0.966 211 D CA 1.199 54.770 54.000 -0.714 0.000 0.876 211 D CB 0.585 40.424 40.800 -1.601 0.000 0.927 211 D HN 0.728 nan 8.370 nan 0.000 0.519 212 E N 0.036 120.003 120.200 -0.388 0.000 2.390 212 E HA 0.321 4.671 4.350 -0.000 0.000 0.280 212 E C -1.718 174.856 176.600 -0.043 0.000 0.992 212 E CA -0.506 55.839 56.400 -0.092 0.000 0.790 212 E CB 1.571 31.340 29.700 0.116 0.000 1.248 212 E HN -0.122 nan 8.360 nan 0.000 0.447 213 L N 4.683 125.903 121.223 -0.004 0.000 2.346 213 L HA 0.654 4.994 4.340 -0.000 0.000 0.276 213 L C -0.100 176.622 176.870 -0.248 0.000 1.006 213 L CA -0.906 53.879 54.840 -0.091 0.000 0.817 213 L CB 1.403 43.413 42.059 -0.082 0.000 1.272 213 L HN 0.509 nan 8.230 nan 0.000 0.421 214 I N -0.241 120.205 120.570 -0.207 0.000 2.934 214 I HA 0.822 4.992 4.170 -0.000 0.000 0.306 214 I C -0.286 175.714 176.117 -0.196 0.000 1.110 214 I CA -0.564 60.565 61.300 -0.285 0.000 1.019 214 I CB 2.374 40.280 38.000 -0.156 0.000 1.227 214 I HN 0.598 nan 8.210 nan 0.000 0.434 215 S N 3.315 118.895 115.700 -0.200 0.000 2.599 215 S HA 0.717 5.187 4.470 -0.000 0.000 0.294 215 S C -0.762 173.750 174.600 -0.147 0.000 1.094 215 S CA -0.815 57.303 58.200 -0.137 0.000 0.931 215 S CB 1.880 65.015 63.200 -0.109 0.000 1.093 215 S HN 0.613 nan 8.310 nan 0.000 0.488 216 I N 3.239 123.746 120.570 -0.105 0.000 2.307 216 I HA 0.326 4.496 4.170 -0.000 0.000 0.289 216 I C -1.470 174.619 176.117 -0.047 0.000 1.021 216 I CA -1.909 59.331 61.300 -0.100 0.000 1.224 216 I CB 1.040 39.008 38.000 -0.053 0.000 1.376 216 I HN 0.663 nan 8.210 nan 0.000 0.470 220 G N -0.042 108.765 108.800 0.013 0.000 3.340 220 G HA2 0.468 4.428 3.960 -0.000 0.000 0.176 220 G HA3 0.468 4.428 3.960 -0.000 0.000 0.176 220 G C 1.198 176.102 174.900 0.007 0.000 1.103 220 G CA 1.091 46.196 45.100 0.009 0.000 0.779 220 G HN 0.742 nan 8.290 nan 0.000 0.673 221 S N -0.875 114.828 115.700 0.005 0.000 2.421 221 S HA 0.076 4.546 4.470 -0.000 0.000 0.224 221 S C 1.117 175.718 174.600 0.002 0.000 1.035 221 S CA 0.229 58.431 58.200 0.003 0.000 0.953 221 S CB -0.324 62.877 63.200 0.002 0.000 0.810 221 S HN 0.348 nan 8.310 nan 0.000 0.497 222 V N 4.454 124.370 119.914 0.003 0.000 2.479 222 V HA -0.028 4.092 4.120 -0.000 0.000 0.284 222 V C 1.688 177.783 176.094 0.002 0.000 0.981 222 V CA 0.643 62.944 62.300 0.002 0.000 1.139 222 V CB -0.395 31.430 31.823 0.003 0.000 0.947 222 V HN 0.711 nan 8.190 nan 0.000 0.468 223 S N 3.307 119.007 115.700 -0.000 0.000 2.383 223 S HA -0.045 4.425 4.470 -0.000 0.000 0.227 223 S C 0.868 175.467 174.600 -0.003 0.000 1.026 223 S CA 0.607 58.806 58.200 -0.002 0.000 0.981 223 S CB -0.057 63.141 63.200 -0.003 0.000 0.818 223 S HN 0.977 nan 8.310 nan 0.000 0.472 224 S N -0.433 115.265 115.700 -0.003 0.000 2.794 224 S HA 0.791 5.261 4.470 -0.000 0.000 0.299 224 S C -1.236 173.363 174.600 -0.001 0.000 1.179 224 S CA -0.958 57.239 58.200 -0.004 0.000 0.838 224 S CB 1.059 64.255 63.200 -0.006 0.000 1.206 224 S HN 0.145 nan 8.310 nan 0.000 0.523 225 L N 1.998 123.221 121.223 -0.000 0.000 2.286 225 L HA 0.577 4.917 4.340 -0.000 0.000 0.265 225 L C 0.119 176.991 176.870 0.002 0.000 1.012 225 L CA -0.682 54.160 54.840 0.003 0.000 0.818 225 L CB 1.571 43.634 42.059 0.007 0.000 1.337 225 L HN 0.956 nan 8.230 nan 0.000 0.438 226 N N 0.447 119.149 118.700 0.004 0.000 2.454 226 N HA -0.063 4.677 4.740 -0.000 0.000 0.254 226 N C 0.908 176.424 175.510 0.011 0.000 1.228 226 N CA 0.405 53.458 53.050 0.005 0.000 0.900 226 N CB 1.292 39.782 38.487 0.006 0.000 1.089 226 N HN 0.523 nan 8.380 nan 0.000 0.449 227 V N 3.196 123.117 119.914 0.012 0.000 2.469 227 V HA -0.236 3.884 4.120 -0.000 0.000 0.251 227 V C 2.228 178.335 176.094 0.021 0.000 1.064 227 V CA 2.773 65.082 62.300 0.014 0.000 1.066 227 V CB -0.632 31.199 31.823 0.013 0.000 0.667 227 V HN 0.869 nan 8.190 nan 0.000 0.461 228 S N -1.252 114.465 115.700 0.028 0.000 2.377 228 S HA -0.098 4.372 4.470 -0.000 0.000 0.223 228 S C 1.886 176.502 174.600 0.027 0.000 1.030 228 S CA 1.348 59.566 58.200 0.030 0.000 0.970 228 S CB -0.236 62.988 63.200 0.039 0.000 0.830 228 S HN 0.375 nan 8.310 nan 0.000 0.473 229 V N 2.946 122.873 119.914 0.022 0.000 2.287 229 V HA -0.166 3.954 4.120 -0.000 0.000 0.248 229 V C 3.174 179.284 176.094 0.027 0.000 1.053 229 V CA 1.853 64.163 62.300 0.016 0.000 1.027 229 V CB -1.549 30.280 31.823 0.011 0.000 0.646 229 V HN 0.663 nan 8.190 nan 0.000 0.447 230 A N -0.471 122.364 122.820 0.025 0.000 1.933 230 A HA -0.228 4.091 4.320 -0.000 0.000 0.218 230 A C 2.393 180.001 177.584 0.040 0.000 1.175 230 A CA 2.534 54.586 52.037 0.026 0.000 0.628 230 A CB -0.935 18.073 19.000 0.013 0.000 0.814 230 A HN 0.516 nan 8.150 nan 0.000 0.444 231 T N -0.352 114.226 114.554 0.041 0.000 2.737 231 T HA -0.011 4.339 4.350 -0.000 0.000 0.265 231 T C 2.011 176.771 174.700 0.100 0.000 1.038 231 T CA 1.395 63.526 62.100 0.052 0.000 1.144 231 T CB -0.668 68.220 68.868 0.033 0.000 0.866 231 T HN 0.583 nan 8.240 nan 0.000 0.434 232 G N 1.426 110.285 108.800 0.099 0.000 2.440 232 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.218 232 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.218 232 G C 1.535 176.568 174.900 0.221 0.000 1.154 232 G CA 0.655 45.850 45.100 0.157 0.000 0.767 232 G HN 0.490 nan 8.290 nan 0.000 0.552 233 I N 0.267 120.916 120.570 0.130 0.000 2.179 233 I HA -0.211 3.959 4.170 -0.000 0.000 0.242 233 I C 2.820 179.045 176.117 0.180 0.000 1.088 233 I CA 0.841 62.228 61.300 0.145 0.000 1.357 233 I CB -0.338 37.718 38.000 0.093 0.000 1.051 233 I HN 0.205 nan 8.210 nan 0.000 0.409 234 C N 0.036 119.414 119.300 0.130 0.000 2.446 234 C HA -0.089 4.371 4.460 -0.000 0.000 0.277 234 C C 2.641 177.729 174.990 0.163 0.000 1.275 234 C CA 0.075 59.159 59.018 0.110 0.000 1.727 234 C CB -0.824 26.953 27.740 0.063 0.000 2.010 234 C HN 0.427 nan 8.230 nan 0.000 0.486 235 L N 0.041 121.381 121.223 0.196 0.000 2.012 235 L HA -0.067 4.273 4.340 -0.000 0.000 0.210 235 L C 2.055 179.011 176.870 0.144 0.000 1.073 235 L CA 1.969 56.926 54.840 0.195 0.000 0.748 235 L CB -1.278 40.876 42.059 0.158 0.000 0.891 235 L HN 0.245 nan 8.230 nan 0.000 0.431 236 F N -0.391 119.633 119.950 0.123 0.000 2.407 236 F HA -0.103 4.424 4.527 -0.000 0.000 0.299 236 F C 2.415 178.281 175.800 0.110 0.000 1.097 236 F CA 0.897 58.965 58.000 0.112 0.000 1.422 236 F CB -0.322 38.727 39.000 0.083 0.000 1.067 236 F HN 0.175 nan 8.300 nan 0.000 0.539 237 E N 0.874 121.223 120.200 0.248 0.000 2.150 237 E HA -0.127 4.223 4.350 -0.000 0.000 0.193 237 E C 2.072 178.742 176.600 0.116 0.000 0.985 237 E CA 1.290 57.819 56.400 0.215 0.000 0.814 237 E CB -0.335 29.510 29.700 0.242 0.000 0.752 237 E HN 0.224 nan 8.360 nan 0.000 0.466 238 A N 0.089 122.953 122.820 0.073 0.000 1.897 238 A HA -0.046 4.274 4.320 -0.000 0.000 0.215 238 A C 2.479 179.985 177.584 -0.130 0.000 1.181 238 A CA 1.312 53.329 52.037 -0.033 0.000 0.620 238 A CB -0.668 18.320 19.000 -0.021 0.000 0.821 238 A HN 0.176 nan 8.150 nan 0.000 0.443 239 V N 0.270 120.110 119.914 -0.123 0.000 2.332 239 V HA -0.273 3.847 4.120 -0.000 0.000 0.248 239 V C 2.649 178.697 176.094 -0.078 0.000 1.055 239 V CA 2.326 64.523 62.300 -0.171 0.000 1.038 239 V CB -0.820 30.815 31.823 -0.313 0.000 0.651 239 V HN 0.653 nan 8.190 nan 0.000 0.450 240 R N -0.200 120.300 120.500 -0.001 0.000 2.073 240 R HA -0.206 4.134 4.340 -0.000 0.000 0.234 240 R C 2.359 178.655 176.300 -0.006 0.000 1.134 240 R CA 1.933 58.049 56.100 0.026 0.000 0.952 240 R CB -0.205 30.138 30.300 0.070 0.000 0.850 240 R HN 0.580 nan 8.270 nan 0.000 0.433 241 Q N -0.523 119.268 119.800 -0.015 0.000 2.297 241 Q HA -0.090 4.250 4.340 -0.000 0.000 0.204 241 Q C 1.721 177.678 176.000 -0.071 0.000 0.962 241 Q CA 1.109 56.893 55.803 -0.032 0.000 0.879 241 Q CB 0.208 28.931 28.738 -0.025 0.000 0.947 241 Q HN 0.321 nan 8.270 nan 0.000 0.462 242 R N 0.097 120.530 120.500 -0.112 0.000 2.334 242 R HA 0.081 4.421 4.340 -0.000 0.000 0.216 242 R C 0.835 177.076 176.300 -0.098 0.000 0.905 242 R CA 0.175 56.191 56.100 -0.141 0.000 1.064 242 R CB 0.563 30.709 30.300 -0.256 0.000 1.046 242 R HN 0.088 nan 8.270 nan 0.000 0.508 243 S N 0.000 115.660 115.700 -0.067 0.000 2.498 243 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 243 S CA 0.000 58.176 58.200 -0.041 0.000 1.107 243 S CB 0.000 63.185 63.200 -0.026 0.000 0.593 243 S HN 0.000 nan 8.310 nan 0.000 0.517