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 2hqt_1_A DATA FIRST_RESID 4 DATA SEQUENCE SDLVTKFESL IXXXYPVSFT KEQSAQAAQW ESVLKSGQIQ PHLDQLNLVL DATA SEQUENCE RDNTFIVSTL YPTSTDVHVF EVALPLIKDL VASSKDVKST YTTYRHILRW DATA SEQUENCE IDYMQNLLEV SSTDKLEI 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.611 174.600 0.018 0.000 1.055 4 S CA 0.000 58.205 58.200 0.009 0.000 1.107 4 S CB 0.000 63.202 63.200 0.004 0.000 0.593 5 D N 1.516 121.925 120.400 0.016 0.000 2.103 5 D HA -0.042 4.597 4.640 -0.000 0.000 0.190 5 D C 0.520 176.840 176.300 0.033 0.000 0.997 5 D CA 1.046 55.059 54.000 0.021 0.000 0.833 5 D CB -0.228 40.581 40.800 0.015 0.000 0.961 5 D HN 0.414 nan 8.370 nan 0.000 0.447 6 L N 0.644 121.884 121.223 0.029 0.000 2.410 6 L HA 0.037 4.377 4.340 -0.000 0.000 0.273 6 L C 1.203 178.102 176.870 0.047 0.000 1.144 6 L CA -0.328 54.537 54.840 0.040 0.000 0.863 6 L CB 1.573 43.639 42.059 0.012 0.000 1.140 6 L HN 0.029 nan 8.230 nan 0.000 0.463 7 V N 0.092 120.074 119.914 0.112 0.000 0.514 7 V HA -0.346 3.774 4.120 -0.000 0.000 0.092 7 V C 1.792 177.990 176.094 0.173 0.000 2.254 7 V CA 1.387 63.778 62.300 0.150 0.000 3.578 7 V CB -1.359 30.504 31.823 0.065 0.000 0.867 7 V HN 0.968 nan 8.190 nan 0.000 0.907 8 T N -1.019 113.591 114.554 0.093 0.000 2.746 8 T HA -0.203 4.146 4.350 -0.000 0.000 0.267 8 T C 1.639 176.373 174.700 0.056 0.000 1.039 8 T CA 2.029 64.166 62.100 0.061 0.000 1.142 8 T CB -0.230 68.660 68.868 0.037 0.000 0.866 8 T HN 0.427 nan 8.240 nan 0.000 0.444 9 K N 0.412 120.854 120.400 0.071 0.000 2.026 9 K HA -0.043 4.277 4.320 -0.000 0.000 0.208 9 K C 2.045 178.693 176.600 0.080 0.000 1.048 9 K CA 1.307 57.631 56.287 0.062 0.000 0.929 9 K CB -0.797 31.742 32.500 0.065 0.000 0.713 9 K HN 0.462 nan 8.250 nan 0.000 0.439 10 F N 3.075 123.019 119.950 -0.009 0.000 2.043 10 F HA -0.233 4.293 4.527 -0.000 0.000 0.297 10 F C 2.115 177.906 175.800 -0.015 0.000 1.121 10 F CA 2.475 60.468 58.000 -0.012 0.000 1.199 10 F CB -0.516 38.476 39.000 -0.014 0.000 0.968 10 F HN 0.258 nan 8.300 nan 0.000 0.478 11 E N -0.210 119.907 120.200 -0.137 0.000 2.418 11 E HA -0.131 4.219 4.350 -0.000 0.000 0.197 11 E C 1.725 178.214 176.600 -0.185 0.000 1.026 11 E CA 0.995 57.245 56.400 -0.250 0.000 0.862 11 E CB -0.754 28.923 29.700 -0.039 0.000 0.799 11 E HN 0.487 nan 8.360 nan 0.000 0.518 12 S N 0.378 116.006 115.700 -0.120 0.000 2.631 12 S HA 0.142 4.612 4.470 -0.000 0.000 0.217 12 S C 0.693 175.227 174.600 -0.111 0.000 0.958 12 S CA -0.471 57.677 58.200 -0.087 0.000 0.920 12 S CB -0.279 62.898 63.200 -0.038 0.000 0.776 12 S HN 0.161 nan 8.310 nan 0.000 0.517 13 L N 1.052 122.161 121.223 -0.190 0.000 2.331 13 L HA 0.777 5.117 4.340 -0.000 0.000 0.275 13 L C 0.525 177.278 176.870 -0.195 0.000 1.022 13 L CA -0.684 54.053 54.840 -0.170 0.000 0.812 13 L CB 1.652 43.605 42.059 -0.175 0.000 1.257 13 L HN 0.272 nan 8.230 nan 0.000 0.435 19 P HA 0.331 nan 4.420 nan 0.000 0.269 19 P C 1.393 178.716 177.300 0.038 0.000 1.217 19 P CA 0.578 63.643 63.100 -0.059 0.000 0.783 19 P CB 1.494 33.222 31.700 0.047 0.000 0.898 20 V N -0.198 119.747 119.914 0.052 0.000 2.970 20 V HA -0.121 3.999 4.120 -0.000 0.000 0.260 20 V C 1.573 177.730 176.094 0.105 0.000 1.100 20 V CA 1.916 64.258 62.300 0.070 0.000 1.122 20 V CB -1.123 30.729 31.823 0.049 0.000 0.721 20 V HN 0.652 nan 8.190 nan 0.000 0.483 21 S N -0.980 114.795 115.700 0.125 0.000 2.603 21 S HA 0.174 4.644 4.470 -0.000 0.000 0.220 21 S C 0.457 175.168 174.600 0.184 0.000 0.967 21 S CA -0.396 57.880 58.200 0.127 0.000 0.920 21 S CB -0.876 62.389 63.200 0.107 0.000 0.773 21 S HN 0.505 nan 8.310 nan 0.000 0.529 22 F N 4.609 124.574 119.950 0.026 0.000 2.602 22 F HA 0.251 4.778 4.527 -0.000 0.000 0.385 22 F C 1.310 177.124 175.800 0.024 0.000 1.063 22 F CA -0.093 57.923 58.000 0.027 0.000 1.233 22 F CB 0.419 39.434 39.000 0.024 0.000 1.067 22 F HN 0.267 nan 8.300 nan 0.000 0.564 23 T N 1.968 116.414 114.554 -0.179 0.000 2.847 23 T HA 0.286 4.636 4.350 -0.000 0.000 0.279 23 T C 1.256 175.878 174.700 -0.131 0.000 0.984 23 T CA -0.797 61.230 62.100 -0.122 0.000 0.988 23 T CB 1.222 70.014 68.868 -0.128 0.000 1.040 23 T HN 0.646 nan 8.240 nan 0.000 0.528 24 K N 0.576 120.941 120.400 -0.058 0.000 2.063 24 K HA -0.119 4.201 4.320 -0.000 0.000 0.208 24 K C 2.901 179.459 176.600 -0.070 0.000 1.048 24 K CA 1.872 58.137 56.287 -0.037 0.000 0.928 24 K CB -0.611 31.879 32.500 -0.017 0.000 0.713 24 K HN 0.857 nan 8.250 nan 0.000 0.442 25 E N 1.572 121.714 120.200 -0.096 0.000 2.051 25 E HA -0.240 4.110 4.350 -0.000 0.000 0.192 25 E C 1.859 178.369 176.600 -0.149 0.000 0.991 25 E CA 1.462 57.803 56.400 -0.098 0.000 0.799 25 E CB -0.673 28.977 29.700 -0.084 0.000 0.748 25 E HN 0.469 nan 8.360 nan 0.000 0.449 26 Q N -0.208 119.412 119.800 -0.301 0.000 2.096 26 Q HA -0.135 4.205 4.340 -0.000 0.000 0.204 26 Q C 2.616 178.404 176.000 -0.353 0.000 0.982 26 Q CA 1.765 57.259 55.803 -0.515 0.000 0.850 26 Q CB -0.220 27.785 28.738 -1.221 0.000 0.901 26 Q HN 0.558 nan 8.270 nan 0.000 0.422 27 S N 0.117 115.674 115.700 -0.239 0.000 2.359 27 S HA -0.200 4.270 4.470 -0.000 0.000 0.224 27 S C 2.000 176.648 174.600 0.080 0.000 1.035 27 S CA 1.249 59.514 58.200 0.107 0.000 1.018 27 S CB -0.239 63.046 63.200 0.141 0.000 0.876 27 S HN 0.466 nan 8.310 nan 0.000 0.448 28 A N 0.655 123.483 122.820 0.012 0.000 1.933 28 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 28 A C 2.140 179.727 177.584 0.005 0.000 1.175 28 A CA 1.653 53.693 52.037 0.005 0.000 0.628 28 A CB -0.705 18.283 19.000 -0.021 0.000 0.814 28 A HN 0.732 nan 8.150 nan 0.000 0.444 29 Q N -0.717 119.093 119.800 0.017 0.000 2.123 29 Q HA -0.009 4.331 4.340 -0.000 0.000 0.199 29 Q C 2.442 178.559 176.000 0.194 0.000 0.966 29 Q CA 1.094 56.929 55.803 0.054 0.000 0.845 29 Q CB -0.367 28.431 28.738 0.101 0.000 0.907 29 Q HN 0.675 nan 8.270 nan 0.000 0.439 30 A N 1.461 124.419 122.820 0.230 0.000 1.883 30 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 30 A C 2.349 180.065 177.584 0.220 0.000 1.186 30 A CA 1.763 53.977 52.037 0.294 0.000 0.624 30 A CB -0.970 18.224 19.000 0.323 0.000 0.822 30 A HN 0.402 nan 8.150 nan 0.000 0.444 31 A N -0.864 122.037 122.820 0.135 0.000 1.908 31 A HA -0.267 4.053 4.320 -0.000 0.000 0.218 31 A C 2.132 179.729 177.584 0.021 0.000 1.181 31 A CA 1.924 54.005 52.037 0.074 0.000 0.627 31 A CB -0.650 18.377 19.000 0.044 0.000 0.818 31 A HN 0.669 nan 8.150 nan 0.000 0.445 32 Q N -1.729 118.045 119.800 -0.043 0.000 2.084 32 Q HA -0.224 4.116 4.340 -0.000 0.000 0.202 32 Q C 1.950 177.796 176.000 -0.257 0.000 0.978 32 Q CA 1.839 57.526 55.803 -0.193 0.000 0.844 32 Q CB -0.250 28.304 28.738 -0.307 0.000 0.898 32 Q HN 0.887 nan 8.270 nan 0.000 0.426 33 W N 0.889 122.171 121.300 -0.030 0.000 2.388 33 W HA -0.121 4.540 4.660 0.000 0.000 0.294 33 W C 2.175 178.686 176.519 -0.013 0.000 1.212 33 W CA 0.813 58.136 57.345 -0.037 0.000 1.271 33 W CB 0.061 29.527 29.460 0.011 0.000 1.126 33 W HN 0.249 nan 8.180 nan 0.000 0.535 34 E N -0.049 120.289 120.200 0.230 0.000 2.110 34 E HA -0.240 4.110 4.350 -0.000 0.000 0.193 34 E C 2.222 178.858 176.600 0.060 0.000 0.988 34 E CA 1.503 57.990 56.400 0.145 0.000 0.804 34 E CB -0.271 29.505 29.700 0.126 0.000 0.745 34 E HN 0.095 nan 8.360 nan 0.000 0.458 35 S N -0.144 115.563 115.700 0.012 0.000 2.368 35 S HA -0.142 4.328 4.470 -0.000 0.000 0.225 35 S C 2.173 176.741 174.600 -0.053 0.000 1.030 35 S CA 1.340 59.521 58.200 -0.031 0.000 0.999 35 S CB -0.346 62.816 63.200 -0.064 0.000 0.844 35 S HN 0.396 nan 8.310 nan 0.000 0.459 36 V N 0.548 120.398 119.914 -0.106 0.000 2.427 36 V HA -0.057 4.063 4.120 -0.000 0.000 0.248 36 V C 2.129 178.229 176.094 0.010 0.000 1.051 36 V CA 1.801 64.018 62.300 -0.137 0.000 1.048 36 V CB -0.956 30.611 31.823 -0.426 0.000 0.666 36 V HN 0.506 nan 8.190 nan 0.000 0.456 37 L N 0.658 121.924 121.223 0.071 0.000 1.994 37 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 37 L C 3.305 180.195 176.870 0.034 0.000 1.071 37 L CA 2.766 57.653 54.840 0.077 0.000 0.745 37 L CB -1.037 41.082 42.059 0.100 0.000 0.892 37 L HN 0.496 nan 8.230 nan 0.000 0.431 38 K N -0.072 120.338 120.400 0.017 0.000 2.147 38 K HA -0.165 4.154 4.320 -0.000 0.000 0.205 38 K C 2.055 178.658 176.600 0.006 0.000 1.049 38 K CA 1.809 58.098 56.287 0.003 0.000 0.936 38 K CB -1.194 31.303 32.500 -0.004 0.000 0.722 38 K HN 0.596 nan 8.250 nan 0.000 0.446 39 S N -1.710 113.996 115.700 0.009 0.000 2.575 39 S HA 0.369 4.838 4.470 -0.000 0.000 0.215 39 S C 1.630 176.247 174.600 0.029 0.000 0.966 39 S CA 0.761 58.970 58.200 0.014 0.000 0.911 39 S CB -0.222 62.984 63.200 0.010 0.000 0.780 39 S HN 1.629 nan 8.310 nan 0.000 0.514 40 G N 1.484 110.305 108.800 0.035 0.000 2.225 40 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.267 40 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.267 40 G C 0.183 175.125 174.900 0.070 0.000 1.024 40 G CA 0.439 45.566 45.100 0.046 0.000 0.784 40 G HN 0.625 nan 8.290 nan 0.000 0.507 41 Q N -0.671 119.185 119.800 0.094 0.000 2.211 41 Q HA 0.362 4.702 4.340 -0.000 0.000 0.231 41 Q C 2.093 178.247 176.000 0.255 0.000 0.865 41 Q CA -0.704 55.200 55.803 0.167 0.000 0.997 41 Q CB 0.190 29.057 28.738 0.215 0.000 1.101 41 Q HN 0.538 nan 8.270 nan 0.000 0.468 42 I N 0.713 121.394 120.570 0.184 0.000 2.361 42 I HA -0.287 3.883 4.170 -0.000 0.000 0.251 42 I C 2.310 178.560 176.117 0.221 0.000 1.133 42 I CA 1.619 63.057 61.300 0.231 0.000 1.413 42 I CB -0.406 37.693 38.000 0.165 0.000 1.073 42 I HN 0.475 nan 8.210 nan 0.000 0.424 43 Q N 1.359 121.245 119.800 0.143 0.000 2.020 43 Q HA -0.131 4.208 4.340 -0.000 0.000 0.202 43 Q C -0.760 175.301 176.000 0.103 0.000 0.982 43 Q CA 1.883 57.743 55.803 0.095 0.000 0.838 43 Q CB -0.599 28.174 28.738 0.059 0.000 0.899 43 Q HN 0.290 nan 8.270 nan 0.000 0.423 44 P HA -0.100 nan 4.420 nan 0.000 0.234 44 P C -0.284 176.946 177.300 -0.117 0.000 1.167 44 P CA 1.231 64.324 63.100 -0.012 0.000 0.763 44 P CB -0.044 31.621 31.700 -0.057 0.000 0.835 45 H N -1.627 117.510 119.070 0.111 0.000 2.586 45 H HA 0.247 4.802 4.556 -0.000 0.000 0.273 45 H C 1.915 177.381 175.328 0.231 0.000 0.997 45 H CA -0.068 56.078 56.048 0.163 0.000 1.177 45 H CB -0.325 29.555 29.762 0.196 0.000 1.471 45 H HN -0.013 nan 8.280 nan 0.000 0.538 46 L N 0.141 121.507 121.223 0.238 0.000 2.012 46 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 46 L C 1.679 178.700 176.870 0.252 0.000 1.073 46 L CA 1.288 56.245 54.840 0.194 0.000 0.748 46 L CB -0.134 41.983 42.059 0.097 0.000 0.891 46 L HN 0.313 nan 8.230 nan 0.000 0.431 47 D N -0.477 120.066 120.400 0.239 0.000 2.123 47 D HA -0.251 4.389 4.640 -0.000 0.000 0.196 47 D C 2.113 178.515 176.300 0.170 0.000 0.992 47 D CA 1.156 55.272 54.000 0.194 0.000 0.833 47 D CB -0.183 40.686 40.800 0.115 0.000 0.954 47 D HN 0.366 nan 8.370 nan 0.000 0.455 48 Q N -0.131 119.780 119.800 0.185 0.000 2.084 48 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 48 Q C 2.221 178.382 176.000 0.268 0.000 0.978 48 Q CA 0.739 56.669 55.803 0.213 0.000 0.844 48 Q CB -0.146 28.734 28.738 0.235 0.000 0.898 48 Q HN 0.191 nan 8.270 nan 0.000 0.426 49 L N 1.608 123.018 121.223 0.311 0.000 2.046 49 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 49 L C 2.031 178.899 176.870 -0.004 0.000 1.077 49 L CA 1.995 56.877 54.840 0.068 0.000 0.747 49 L CB -0.975 41.014 42.059 -0.117 0.000 0.896 49 L HN 0.314 nan 8.230 nan 0.000 0.432 50 N N -0.587 118.177 118.700 0.106 0.000 2.104 50 N HA -0.222 4.518 4.740 -0.000 0.000 0.190 50 N C 1.954 177.555 175.510 0.151 0.000 1.024 50 N CA 1.659 54.806 53.050 0.162 0.000 0.853 50 N CB -0.085 38.554 38.487 0.253 0.000 1.008 50 N HN 0.377 nan 8.380 nan 0.000 0.424 51 L N 1.297 122.587 121.223 0.112 0.000 2.093 51 L HA -0.049 4.291 4.340 -0.000 0.000 0.208 51 L C 2.216 179.080 176.870 -0.010 0.000 1.085 51 L CA 1.154 56.023 54.840 0.050 0.000 0.755 51 L CB -0.667 41.425 42.059 0.055 0.000 0.904 51 L HN -0.056 nan 8.230 nan 0.000 0.435 52 V N -0.132 119.793 119.914 0.017 0.000 2.287 52 V HA -0.304 3.816 4.120 -0.000 0.000 0.248 52 V C 2.515 178.546 176.094 -0.106 0.000 1.053 52 V CA 2.126 64.415 62.300 -0.018 0.000 1.027 52 V CB -0.606 31.241 31.823 0.039 0.000 0.646 52 V HN 0.448 nan 8.190 nan 0.000 0.447 53 L N -0.552 120.587 121.223 -0.141 0.000 2.376 53 L HA -0.059 4.281 4.340 -0.000 0.000 0.219 53 L C 2.611 179.382 176.870 -0.165 0.000 1.133 53 L CA 0.914 55.652 54.840 -0.171 0.000 0.816 53 L CB -0.580 41.370 42.059 -0.182 0.000 0.933 53 L HN 0.267 nan 8.230 nan 0.000 0.449 54 R N 0.564 120.902 120.500 -0.271 0.000 2.083 54 R HA -0.179 4.161 4.340 -0.000 0.000 0.237 54 R C 0.979 177.079 176.300 -0.333 0.000 1.137 54 R CA 1.965 57.691 56.100 -0.623 0.000 0.951 54 R CB 0.048 29.966 30.300 -0.637 0.000 0.851 54 R HN 0.318 nan 8.270 nan 0.000 0.434 55 D N -0.776 119.496 120.400 -0.213 0.000 2.398 55 D HA 0.098 4.738 4.640 -0.000 0.000 0.210 55 D C -0.634 175.590 176.300 -0.128 0.000 1.094 55 D CA 0.245 54.156 54.000 -0.149 0.000 0.839 55 D CB 0.425 41.160 40.800 -0.110 0.000 0.963 55 D HN 0.219 nan 8.370 nan 0.000 0.506 56 N N -1.070 117.542 118.700 -0.146 0.000 2.371 56 N HA 0.156 4.896 4.740 -0.000 0.000 0.291 56 N C 0.569 175.949 175.510 -0.217 0.000 1.053 56 N CA -0.274 52.690 53.050 -0.143 0.000 0.870 56 N CB 2.113 40.540 38.487 -0.100 0.000 1.503 56 N HN -0.366 nan 8.380 nan 0.000 0.485 57 T N 0.684 115.058 114.554 -0.300 0.000 2.720 57 T HA -0.055 4.295 4.350 -0.000 0.000 0.268 57 T C -0.051 174.196 174.700 -0.754 0.000 1.037 57 T CA 1.634 63.377 62.100 -0.593 0.000 1.144 57 T CB -0.210 68.203 68.868 -0.758 0.000 0.864 57 T HN 0.361 nan 8.240 nan 0.000 0.444 58 F N -1.535 118.362 119.950 -0.087 0.000 2.611 58 F HA 0.487 5.014 4.527 -0.000 0.000 0.324 58 F C 1.108 176.835 175.800 -0.122 0.000 1.061 58 F CA -1.212 56.760 58.000 -0.047 0.000 0.954 58 F CB 1.332 40.332 39.000 -0.001 0.000 1.301 58 F HN -0.218 nan 8.300 nan 0.000 0.482 59 I N 0.593 121.179 120.570 0.027 0.000 2.208 59 I HA -0.187 3.983 4.170 -0.000 0.000 0.245 59 I C 1.222 177.324 176.117 -0.023 0.000 1.097 59 I CA 1.323 62.505 61.300 -0.197 0.000 1.363 59 I CB -0.281 37.462 38.000 -0.429 0.000 1.051 59 I HN 0.308 nan 8.210 nan 0.000 0.413 60 V N 0.459 120.427 119.914 0.089 0.000 3.121 60 V HA 0.146 4.266 4.120 -0.000 0.000 0.344 60 V C 0.465 176.613 176.094 0.091 0.000 1.390 60 V CA 0.163 62.533 62.300 0.117 0.000 1.177 60 V CB -0.125 31.822 31.823 0.207 0.000 1.163 60 V HN 0.524 nan 8.190 nan 0.000 0.484 61 S N 0.695 116.453 115.700 0.096 0.000 3.867 61 S HA -0.144 4.326 4.470 -0.000 0.000 0.334 61 S C 0.548 175.216 174.600 0.114 0.000 1.069 61 S CA 0.875 59.114 58.200 0.066 0.000 0.977 61 S CB -1.730 61.474 63.200 0.007 0.000 0.889 61 S HN 0.914 nan 8.310 nan 0.000 0.484 62 T N -1.377 113.302 114.554 0.208 0.000 2.936 62 T HA 0.752 5.102 4.350 -0.000 0.000 0.282 62 T C 1.183 176.030 174.700 0.245 0.000 1.003 62 T CA -1.123 61.114 62.100 0.229 0.000 1.005 62 T CB 1.082 70.097 68.868 0.245 0.000 1.097 62 T HN 0.131 nan 8.240 nan 0.000 0.532 63 L N -0.536 120.783 121.223 0.161 0.000 2.492 63 L HA 0.257 4.596 4.340 -0.000 0.000 0.223 63 L C -0.314 176.351 176.870 -0.341 0.000 1.132 63 L CA 0.453 55.279 54.840 -0.022 0.000 0.850 63 L CB -0.186 41.845 42.059 -0.047 0.000 0.966 63 L HN 0.610 nan 8.230 nan 0.000 0.454 64 Y N -1.203 119.114 120.300 0.029 0.000 2.553 64 Y HA 0.414 4.964 4.550 -0.000 0.000 0.347 64 Y C -2.224 173.289 175.900 -0.645 0.000 1.019 64 Y CA -2.931 55.014 58.100 -0.259 0.000 1.032 64 Y CB 1.093 39.475 38.460 -0.131 0.000 1.284 64 Y HN -0.245 nan 8.280 nan 0.000 0.466 65 P HA 0.067 nan 4.420 nan 0.000 0.269 65 P C -0.361 176.778 177.300 -0.268 0.000 1.209 65 P CA 0.021 62.658 63.100 -0.771 0.000 0.776 65 P CB 0.880 32.218 31.700 -0.603 0.000 0.876 66 T N -2.678 111.787 114.554 -0.149 0.000 2.938 66 T HA 0.291 4.641 4.350 -0.000 0.000 0.285 66 T C 1.461 176.084 174.700 -0.128 0.000 1.028 66 T CA -0.224 61.816 62.100 -0.100 0.000 1.005 66 T CB 0.506 69.360 68.868 -0.023 0.000 1.157 66 T HN 0.335 nan 8.240 nan 0.000 0.550 67 S N -0.020 115.576 115.700 -0.174 0.000 2.419 67 S HA -0.146 4.324 4.470 -0.000 0.000 0.235 67 S C 1.849 176.204 174.600 -0.409 0.000 1.019 67 S CA 1.491 59.477 58.200 -0.356 0.000 0.982 67 S CB -1.488 61.513 63.200 -0.331 0.000 0.789 67 S HN 0.798 nan 8.310 nan 0.000 0.490 68 T N 2.677 117.177 114.554 -0.091 0.000 2.708 68 T HA -0.122 4.227 4.350 -0.000 0.000 0.266 68 T C 1.477 176.224 174.700 0.078 0.000 1.037 68 T CA 1.567 63.705 62.100 0.063 0.000 1.146 68 T CB -0.614 68.338 68.868 0.140 0.000 0.865 68 T HN 0.492 nan 8.240 nan 0.000 0.435 69 D N 0.830 121.289 120.400 0.098 0.000 2.116 69 D HA -0.094 4.546 4.640 -0.000 0.000 0.193 69 D C 2.264 178.730 176.300 0.277 0.000 0.998 69 D CA 1.063 55.249 54.000 0.309 0.000 0.836 69 D CB -0.259 40.714 40.800 0.289 0.000 0.951 69 D HN 0.215 nan 8.370 nan 0.000 0.449 70 V N 1.483 121.424 119.914 0.045 0.000 2.358 70 V HA -0.208 3.912 4.120 -0.000 0.000 0.246 70 V C 2.254 178.463 176.094 0.191 0.000 1.047 70 V CA 1.549 63.881 62.300 0.054 0.000 1.035 70 V CB -0.557 31.208 31.823 -0.097 0.000 0.658 70 V HN 0.226 nan 8.190 nan 0.000 0.452 71 H N -0.426 118.741 119.070 0.162 0.000 2.357 71 H HA -0.042 4.514 4.556 -0.000 0.000 0.301 71 H C 2.355 177.779 175.328 0.159 0.000 1.082 71 H CA 1.617 57.746 56.048 0.135 0.000 1.342 71 H CB -0.577 29.251 29.762 0.110 0.000 1.389 71 H HN 0.294 nan 8.280 nan 0.000 0.511 72 V N 1.150 121.259 119.914 0.325 0.000 2.307 72 V HA -0.218 3.902 4.120 -0.000 0.000 0.245 72 V C 2.336 178.660 176.094 0.383 0.000 1.045 72 V CA 1.564 64.028 62.300 0.272 0.000 1.024 72 V CB -0.852 31.023 31.823 0.087 0.000 0.651 72 V HN 0.207 nan 8.190 nan 0.000 0.449 73 F N 1.511 121.673 119.950 0.354 0.000 2.115 73 F HA -0.255 4.272 4.527 -0.000 0.000 0.300 73 F C 2.367 178.192 175.800 0.042 0.000 1.092 73 F CA 2.220 60.272 58.000 0.086 0.000 1.245 73 F CB -0.347 38.506 39.000 -0.245 0.000 0.995 73 F HN 0.243 nan 8.300 nan 0.000 0.481 74 E N -0.547 119.625 120.200 -0.047 0.000 2.153 74 E HA -0.174 4.175 4.350 -0.000 0.000 0.194 74 E C 2.259 178.759 176.600 -0.168 0.000 0.988 74 E CA 1.472 57.769 56.400 -0.170 0.000 0.811 74 E CB -0.165 29.547 29.700 0.019 0.000 0.746 74 E HN 0.364 nan 8.360 nan 0.000 0.466 75 V N 0.427 120.308 119.914 -0.056 0.000 2.575 75 V HA -0.045 4.074 4.120 -0.000 0.000 0.242 75 V C 2.130 178.195 176.094 -0.049 0.000 1.045 75 V CA 1.380 63.663 62.300 -0.028 0.000 1.065 75 V CB -0.121 31.727 31.823 0.041 0.000 0.717 75 V HN 0.243 nan 8.190 nan 0.000 0.467 76 A N 0.026 122.838 122.820 -0.014 0.000 1.968 76 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 76 A C 2.102 179.638 177.584 -0.080 0.000 1.169 76 A CA 1.760 53.806 52.037 0.015 0.000 0.638 76 A CB -0.436 18.683 19.000 0.199 0.000 0.812 76 A HN 0.447 nan 8.150 nan 0.000 0.446 77 L N 0.778 121.844 121.223 -0.262 0.000 1.994 77 L HA -0.032 4.308 4.340 -0.000 0.000 0.208 77 L C -0.670 176.086 176.870 -0.191 0.000 1.071 77 L CA 2.527 57.174 54.840 -0.321 0.000 0.745 77 L CB -1.021 40.592 42.059 -0.744 0.000 0.892 77 L HN 0.211 nan 8.230 nan 0.000 0.431 78 P HA -0.150 nan 4.420 nan 0.000 0.221 78 P C 2.014 179.270 177.300 -0.074 0.000 1.150 78 P CA 1.037 64.072 63.100 -0.108 0.000 0.800 78 P CB -0.112 31.529 31.700 -0.098 0.000 0.787 79 L N -0.174 121.004 121.223 -0.076 0.000 2.027 79 L HA -0.104 4.235 4.340 -0.000 0.000 0.206 79 L C 2.357 179.179 176.870 -0.080 0.000 1.074 79 L CA 1.839 56.642 54.840 -0.062 0.000 0.745 79 L CB -1.352 40.673 42.059 -0.055 0.000 0.898 79 L HN -0.192 nan 8.230 nan 0.000 0.433 80 I N -0.306 120.201 120.570 -0.105 0.000 2.179 80 I HA -0.280 3.890 4.170 -0.000 0.000 0.242 80 I C 2.474 178.558 176.117 -0.056 0.000 1.088 80 I CA 1.240 62.465 61.300 -0.125 0.000 1.357 80 I CB -1.054 36.868 38.000 -0.130 0.000 1.051 80 I HN 0.359 nan 8.210 nan 0.000 0.409 81 K N 0.463 120.837 120.400 -0.043 0.000 2.089 81 K HA -0.275 4.045 4.320 -0.000 0.000 0.210 81 K C 1.768 178.370 176.600 0.004 0.000 1.048 81 K CA 2.240 58.520 56.287 -0.012 0.000 0.926 81 K CB -0.250 32.236 32.500 -0.023 0.000 0.714 81 K HN 0.284 nan 8.250 nan 0.000 0.448 82 D N 0.405 120.799 120.400 -0.010 0.000 2.117 82 D HA -0.084 4.556 4.640 -0.000 0.000 0.198 82 D C 1.852 178.164 176.300 0.020 0.000 0.982 82 D CA 0.761 54.762 54.000 0.003 0.000 0.828 82 D CB 0.125 40.921 40.800 -0.007 0.000 0.967 82 D HN 0.050 nan 8.370 nan 0.000 0.464 83 L N -0.333 120.898 121.223 0.014 0.000 2.046 83 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 83 L C 2.438 179.361 176.870 0.089 0.000 1.077 83 L CA 0.539 55.409 54.840 0.050 0.000 0.747 83 L CB -0.432 41.650 42.059 0.039 0.000 0.896 83 L HN 0.050 nan 8.230 nan 0.000 0.432 84 V N 0.195 120.166 119.914 0.095 0.000 2.287 84 V HA -0.321 3.799 4.120 -0.000 0.000 0.248 84 V C 2.804 178.955 176.094 0.095 0.000 1.053 84 V CA 1.889 64.270 62.300 0.135 0.000 1.027 84 V CB -1.008 30.917 31.823 0.169 0.000 0.646 84 V HN 0.496 nan 8.190 nan 0.000 0.447 85 A N 0.758 123.617 122.820 0.066 0.000 1.908 85 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 85 A C 2.398 180.008 177.584 0.043 0.000 1.181 85 A CA 2.435 54.501 52.037 0.048 0.000 0.627 85 A CB -0.690 18.330 19.000 0.033 0.000 0.818 85 A HN 0.716 nan 8.150 nan 0.000 0.445 86 S N -0.779 114.948 115.700 0.045 0.000 2.593 86 S HA 0.170 4.640 4.470 -0.000 0.000 0.217 86 S C 0.895 175.523 174.600 0.048 0.000 0.966 86 S CA 0.492 58.716 58.200 0.040 0.000 0.914 86 S CB -0.597 62.626 63.200 0.038 0.000 0.776 86 S HN 0.566 nan 8.310 nan 0.000 0.523 87 S N 1.399 117.136 115.700 0.061 0.000 2.549 87 S HA 0.234 4.704 4.470 -0.000 0.000 0.283 87 S C 1.102 175.731 174.600 0.049 0.000 1.320 87 S CA -0.619 57.623 58.200 0.070 0.000 1.058 87 S CB 0.551 63.809 63.200 0.097 0.000 0.882 87 S HN 0.275 nan 8.310 nan 0.000 0.498 88 K N 2.361 122.787 120.400 0.043 0.000 2.296 88 K HA 0.085 4.405 4.320 -0.000 0.000 0.200 88 K C -0.039 176.575 176.600 0.023 0.000 1.048 88 K CA 0.685 56.990 56.287 0.029 0.000 0.966 88 K CB -0.365 32.150 32.500 0.025 0.000 0.754 88 K HN 0.796 nan 8.250 nan 0.000 0.466 89 D N -0.780 119.637 120.400 0.029 0.000 2.764 89 D HA 0.109 4.749 4.640 -0.000 0.000 0.227 89 D C 0.627 176.944 176.300 0.029 0.000 1.347 89 D CA -0.259 53.752 54.000 0.018 0.000 0.953 89 D CB 1.543 42.349 40.800 0.009 0.000 1.476 89 D HN -0.331 nan 8.370 nan 0.000 0.585 90 V N 4.501 124.421 119.914 0.010 0.000 2.358 90 V HA -0.165 3.955 4.120 -0.000 0.000 0.246 90 V C 2.440 178.539 176.094 0.009 0.000 1.047 90 V CA 1.631 63.944 62.300 0.022 0.000 1.035 90 V CB -0.426 31.364 31.823 -0.055 0.000 0.658 90 V HN 0.654 nan 8.190 nan 0.000 0.452 91 K N 0.199 120.559 120.400 -0.067 0.000 2.044 91 K HA -0.217 4.103 4.320 -0.000 0.000 0.210 91 K C 2.333 178.957 176.600 0.040 0.000 1.049 91 K CA 2.026 58.282 56.287 -0.052 0.000 0.927 91 K CB -0.241 32.225 32.500 -0.058 0.000 0.713 91 K HN 0.481 nan 8.250 nan 0.000 0.443 92 S N 0.129 115.847 115.700 0.030 0.000 2.383 92 S HA -0.132 4.337 4.470 -0.000 0.000 0.229 92 S C 1.880 176.507 174.600 0.044 0.000 1.030 92 S CA 1.896 60.111 58.200 0.024 0.000 1.002 92 S CB -0.420 62.787 63.200 0.012 0.000 0.829 92 S HN 0.456 nan 8.310 nan 0.000 0.467 93 T N 0.863 115.488 114.554 0.118 0.000 2.777 93 T HA -0.047 4.303 4.350 -0.000 0.000 0.266 93 T C 1.480 176.329 174.700 0.248 0.000 1.040 93 T CA 1.134 63.347 62.100 0.188 0.000 1.141 93 T CB -0.491 68.541 68.868 0.274 0.000 0.868 93 T HN 0.457 nan 8.240 nan 0.000 0.444 94 Y N 1.542 121.874 120.300 0.054 0.000 2.165 94 Y HA -0.194 4.356 4.550 -0.000 0.000 0.286 94 Y C 3.048 178.942 175.900 -0.011 0.000 1.155 94 Y CA 1.063 59.192 58.100 0.047 0.000 1.164 94 Y CB -0.473 38.004 38.460 0.029 0.000 0.978 94 Y HN 0.176 nan 8.280 nan 0.000 0.513 95 T N -1.320 113.307 114.554 0.122 0.000 2.867 95 T HA -0.148 4.201 4.350 -0.000 0.000 0.268 95 T C 1.737 176.373 174.700 -0.107 0.000 1.057 95 T CA 1.784 63.883 62.100 -0.001 0.000 1.136 95 T CB -0.377 68.489 68.868 -0.002 0.000 0.874 95 T HN 0.340 nan 8.240 nan 0.000 0.466 96 T N 0.422 114.865 114.554 -0.186 0.000 2.951 96 T HA 0.012 4.362 4.350 -0.000 0.000 0.268 96 T C 0.362 174.714 174.700 -0.581 0.000 1.073 96 T CA 0.813 62.655 62.100 -0.430 0.000 1.134 96 T CB -0.194 68.321 68.868 -0.588 0.000 0.884 96 T HN 0.541 nan 8.240 nan 0.000 0.479 97 Y N 0.327 120.594 120.300 -0.054 0.000 2.578 97 Y HA 0.402 4.952 4.550 -0.000 0.000 0.317 97 Y C 1.573 177.381 175.900 -0.153 0.000 0.940 97 Y CA -0.953 57.102 58.100 -0.074 0.000 1.174 97 Y CB 0.313 38.751 38.460 -0.038 0.000 1.198 97 Y HN -0.122 nan 8.280 nan 0.000 0.597 98 R N -0.132 120.244 120.500 -0.208 0.000 2.091 98 R HA -0.146 4.194 4.340 -0.000 0.000 0.238 98 R C 1.165 177.318 176.300 -0.245 0.000 1.136 98 R CA 1.618 57.531 56.100 -0.311 0.000 0.959 98 R CB -0.166 29.803 30.300 -0.552 0.000 0.856 98 R HN 0.587 nan 8.270 nan 0.000 0.437 99 H N 0.206 119.317 119.070 0.068 0.000 2.403 99 H HA 0.059 4.615 4.556 -0.000 0.000 0.298 99 H C 2.332 177.715 175.328 0.093 0.000 1.059 99 H CA 0.800 56.878 56.048 0.050 0.000 1.363 99 H CB -0.253 29.514 29.762 0.008 0.000 1.410 99 H HN 0.156 nan 8.280 nan 0.000 0.528 100 I N 1.014 121.696 120.570 0.186 0.000 2.151 100 I HA -0.281 3.889 4.170 -0.000 0.000 0.243 100 I C 2.482 178.770 176.117 0.285 0.000 1.080 100 I CA 1.169 62.614 61.300 0.242 0.000 1.339 100 I CB -0.391 37.713 38.000 0.173 0.000 1.039 100 I HN 0.096 nan 8.210 nan 0.000 0.409 101 L N 0.230 121.529 121.223 0.127 0.000 2.046 101 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 101 L C 2.844 179.767 176.870 0.089 0.000 1.077 101 L CA 1.242 56.106 54.840 0.041 0.000 0.747 101 L CB -0.596 41.385 42.059 -0.130 0.000 0.896 101 L HN 0.257 nan 8.230 nan 0.000 0.432 102 R N -0.292 120.278 120.500 0.116 0.000 2.096 102 R HA -0.271 4.069 4.340 -0.000 0.000 0.240 102 R C 2.283 178.699 176.300 0.193 0.000 1.139 102 R CA 2.480 58.660 56.100 0.133 0.000 0.952 102 R CB -0.546 29.836 30.300 0.136 0.000 0.854 102 R HN 0.470 nan 8.270 nan 0.000 0.436 103 W N 0.986 122.308 121.300 0.036 0.000 2.409 103 W HA -0.046 4.614 4.660 0.000 0.000 0.299 103 W C 1.711 178.290 176.519 0.100 0.000 1.203 103 W CA 0.990 58.364 57.345 0.049 0.000 1.298 103 W CB -0.254 29.213 29.460 0.012 0.000 1.127 103 W HN 0.025 nan 8.180 nan 0.000 0.528 104 I N 0.856 121.498 120.570 0.119 0.000 2.208 104 I HA -0.331 3.839 4.170 -0.000 0.000 0.245 104 I C 2.279 178.372 176.117 -0.040 0.000 1.097 104 I CA 2.078 63.383 61.300 0.010 0.000 1.363 104 I CB -0.678 37.428 38.000 0.177 0.000 1.051 104 I HN -0.010 nan 8.210 nan 0.000 0.413 105 D N 0.160 120.570 120.400 0.017 0.000 2.123 105 D HA -0.277 4.362 4.640 -0.000 0.000 0.196 105 D C 2.053 178.321 176.300 -0.053 0.000 0.992 105 D CA 1.530 55.531 54.000 0.001 0.000 0.833 105 D CB -0.205 40.617 40.800 0.038 0.000 0.954 105 D HN 0.397 nan 8.370 nan 0.000 0.455 106 Y N 0.102 120.316 120.300 -0.144 0.000 2.114 106 Y HA -0.171 4.379 4.550 0.000 0.000 0.284 106 Y C 2.254 177.981 175.900 -0.289 0.000 1.143 106 Y CA 1.708 59.718 58.100 -0.149 0.000 1.135 106 Y CB -0.171 38.244 38.460 -0.075 0.000 0.980 106 Y HN -0.085 nan 8.280 nan 0.000 0.499 107 M N 0.681 120.055 119.600 -0.376 0.000 2.175 107 M HA -0.204 4.276 4.480 -0.000 0.000 0.264 107 M C 2.240 178.020 176.300 -0.865 0.000 1.063 107 M CA 1.942 56.768 55.300 -0.789 0.000 1.119 107 M CB -1.321 30.334 32.600 -1.575 0.000 1.377 107 M HN 0.600 nan 8.290 nan 0.000 0.415 108 Q N -0.558 118.849 119.800 -0.654 0.000 2.224 108 Q HA -0.121 4.219 4.340 -0.000 0.000 0.203 108 Q C 1.455 177.347 176.000 -0.181 0.000 0.970 108 Q CA 1.131 56.804 55.803 -0.217 0.000 0.865 108 Q CB -0.360 28.442 28.738 0.108 0.000 0.922 108 Q HN 0.494 nan 8.270 nan 0.000 0.445 109 N N 0.818 119.372 118.700 -0.243 0.000 2.135 109 N HA -0.096 4.644 4.740 -0.000 0.000 0.186 109 N C 1.905 177.258 175.510 -0.262 0.000 1.027 109 N CA 1.004 53.922 53.050 -0.221 0.000 0.849 109 N CB -0.109 38.242 38.487 -0.227 0.000 1.002 109 N HN 0.216 nan 8.380 nan 0.000 0.425 110 L N 1.663 122.650 121.223 -0.393 0.000 2.013 110 L HA -0.097 4.243 4.340 -0.000 0.000 0.212 110 L C 1.751 178.493 176.870 -0.213 0.000 1.073 110 L CA 1.576 56.214 54.840 -0.337 0.000 0.753 110 L CB -0.455 41.362 42.059 -0.402 0.000 0.890 110 L HN 0.133 nan 8.230 nan 0.000 0.432 111 L N -0.576 120.516 121.223 -0.217 0.000 2.611 111 L HA 0.097 4.437 4.340 -0.000 0.000 0.229 111 L C 0.262 177.092 176.870 -0.065 0.000 1.137 111 L CA -0.043 54.723 54.840 -0.123 0.000 0.901 111 L CB -0.503 41.494 42.059 -0.102 0.000 1.098 111 L HN 0.310 nan 8.230 nan 0.000 0.456 112 E N -0.049 120.101 120.200 -0.082 0.000 2.230 112 E HA -0.176 4.174 4.350 -0.000 0.000 0.206 112 E C -0.334 176.256 176.600 -0.017 0.000 1.309 112 E CA -0.160 56.209 56.400 -0.051 0.000 0.697 112 E CB -1.260 28.413 29.700 -0.045 0.000 1.146 112 E HN 0.133 nan 8.360 nan 0.000 0.363 113 V N 1.208 121.122 119.914 -0.000 0.000 2.775 113 V HA 0.084 4.204 4.120 -0.000 0.000 0.299 113 V C 1.040 177.145 176.094 0.018 0.000 1.062 113 V CA 0.189 62.511 62.300 0.037 0.000 1.063 113 V CB 1.802 33.684 31.823 0.098 0.000 0.994 113 V HN 0.460 nan 8.190 nan 0.000 0.483 114 S N 3.497 119.207 115.700 0.017 0.000 2.563 114 S HA 0.003 4.473 4.470 -0.000 0.000 0.294 114 S C 0.612 175.217 174.600 0.008 0.000 1.279 114 S CA -0.492 57.712 58.200 0.008 0.000 1.069 114 S CB -0.016 63.187 63.200 0.005 0.000 0.828 114 S HN 0.996 nan 8.310 nan 0.000 0.497 115 S N 4.621 120.324 115.700 0.005 0.000 2.673 115 S HA 0.203 4.673 4.470 -0.000 0.000 0.308 115 S C 1.026 175.629 174.600 0.005 0.000 1.246 115 S CA 0.219 58.422 58.200 0.006 0.000 1.077 115 S CB 0.374 63.577 63.200 0.004 0.000 0.814 115 S HN 1.193 nan 8.310 nan 0.000 0.503 116 T N 1.126 115.683 114.554 0.006 0.000 6.066 116 T HA -0.171 4.179 4.350 -0.000 0.000 0.276 116 T C 0.310 175.009 174.700 -0.001 0.000 2.189 116 T CA 1.000 63.102 62.100 0.004 0.000 3.734 116 T CB -1.770 67.099 68.868 0.002 0.000 0.731 116 T HN 0.618 nan 8.240 nan 0.000 0.693 117 D N 0.651 121.050 120.400 -0.002 0.000 2.380 117 D HA 0.326 4.966 4.640 -0.000 0.000 0.212 117 D C 0.950 177.244 176.300 -0.009 0.000 1.021 117 D CA 0.219 54.212 54.000 -0.013 0.000 0.884 117 D CB 0.153 40.939 40.800 -0.022 0.000 1.001 117 D HN 0.484 nan 8.370 nan 0.000 0.506 118 K N 0.421 120.828 120.400 0.011 0.000 2.508 118 K HA 0.057 4.377 4.320 -0.000 0.000 0.273 118 K C -0.371 176.243 176.600 0.023 0.000 0.964 118 K CA -0.094 56.210 56.287 0.028 0.000 0.948 118 K CB 0.381 32.898 32.500 0.029 0.000 0.917 118 K HN -0.065 nan 8.250 nan 0.000 0.512 119 L N 3.100 124.343 121.223 0.034 0.000 2.287 119 L HA 0.209 4.549 4.340 -0.000 0.000 0.287 119 L C 0.039 176.942 176.870 0.056 0.000 1.022 119 L CA 0.241 55.104 54.840 0.038 0.000 0.814 119 L CB 0.723 42.796 42.059 0.024 0.000 1.217 119 L HN 0.874 nan 8.230 nan 0.000 0.420 120 E N 2.074 122.319 120.200 0.074 0.000 3.793 120 E HA -0.265 4.085 4.350 -0.000 0.000 0.353 120 E C -0.387 176.275 176.600 0.104 0.000 1.611 120 E CA 2.370 58.834 56.400 0.105 0.000 2.161 120 E CB -0.104 29.711 29.700 0.192 0.000 1.839 120 E HN 0.631 nan 8.360 nan 0.000 0.398 121 I N 0.000 120.665 120.570 0.158 0.000 2.984 121 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 121 I CA 0.000 61.412 61.300 0.186 0.000 1.566 121 I CB 0.000 38.056 38.000 0.093 0.000 1.214 121 I HN 0.000 nan 8.210 nan 0.000 0.494