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 1zhs_1_C DATA FIRST_RESID 1 DATA SEQUENCE ASYKVNIPAG PLWSNAEAQQ VGPKIAAAHQ GNFTGQWTTV VESAMSVVEV DATA SEQUENCE ELQVENTGIH EFKTDVLAGP LWSNDEAQKL GPQIAASYGA EFTGQWRTIV DATA SEQUENCE EGVMSVIQIK YTF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.663 177.584 0.132 0.000 1.274 1 A CA 0.000 52.090 52.037 0.088 0.000 0.836 1 A CB 0.000 19.049 19.000 0.081 0.000 0.831 2 S N -0.298 115.481 115.700 0.131 0.000 2.599 2 S HA 0.977 5.446 4.470 -0.001 0.000 0.294 2 S C -0.742 173.987 174.600 0.215 0.000 1.094 2 S CA -0.302 57.982 58.200 0.140 0.000 0.931 2 S CB 1.610 64.833 63.200 0.037 0.000 1.093 2 S HN 2.043 nan 8.310 nan 0.000 0.488 3 Y N -1.378 118.937 120.300 0.025 0.000 2.625 3 Y HA 0.806 5.355 4.550 -0.001 0.000 0.338 3 Y C -1.279 174.632 175.900 0.019 0.000 1.123 3 Y CA -1.332 56.779 58.100 0.018 0.000 1.046 3 Y CB 0.887 39.357 38.460 0.017 0.000 1.299 3 Y HN 0.718 nan 8.280 nan 0.000 0.464 4 K N 1.889 122.324 120.400 0.058 0.000 2.259 4 K HA 0.799 5.118 4.320 -0.001 0.000 0.249 4 K C -1.284 175.344 176.600 0.048 0.000 0.942 4 K CA -1.080 55.192 56.287 -0.026 0.000 0.816 4 K CB 2.853 35.353 32.500 -0.001 0.000 1.155 4 K HN 0.768 nan 8.250 nan 0.000 0.428 5 V N -1.471 118.441 119.914 -0.002 0.000 3.178 5 V HA 0.485 4.604 4.120 -0.001 0.000 0.302 5 V C -1.355 174.741 176.094 0.004 0.000 1.262 5 V CA -1.223 61.094 62.300 0.029 0.000 1.030 5 V CB 2.052 33.905 31.823 0.050 0.000 1.074 5 V HN 0.629 nan 8.190 nan 0.000 0.438 6 N N 2.038 120.744 118.700 0.009 0.000 2.479 6 N HA 0.670 5.410 4.740 -0.001 0.000 0.285 6 N C -0.843 174.652 175.510 -0.026 0.000 1.075 6 N CA -0.184 52.874 53.050 0.013 0.000 0.967 6 N CB 1.704 40.205 38.487 0.022 0.000 1.137 6 N HN 0.770 nan 8.380 nan 0.000 0.472 7 I N 2.710 123.256 120.570 -0.040 0.000 2.433 7 I HA 0.333 4.502 4.170 -0.001 0.000 0.292 7 I C -2.174 173.901 176.117 -0.070 0.000 1.001 7 I CA -2.290 58.942 61.300 -0.113 0.000 1.119 7 I CB 2.235 40.096 38.000 -0.231 0.000 1.289 7 I HN 0.137 nan 8.210 nan 0.000 0.438 8 P HA 0.020 nan 4.420 nan 0.000 0.267 8 P C -0.195 177.078 177.300 -0.045 0.000 1.200 8 P CA 0.183 63.259 63.100 -0.040 0.000 0.772 8 P CB 0.780 32.461 31.700 -0.032 0.000 0.855 9 A N 1.895 124.685 122.820 -0.049 0.000 2.653 9 A HA 0.585 4.904 4.320 -0.001 0.000 0.248 9 A C 0.778 178.311 177.584 -0.085 0.000 1.211 9 A CA 0.546 52.537 52.037 -0.076 0.000 0.991 9 A CB -0.456 18.474 19.000 -0.116 0.000 1.252 9 A HN 0.782 nan 8.150 nan 0.000 0.593 10 G N 0.415 109.172 108.800 -0.071 0.000 2.782 10 G HA2 -0.091 3.868 3.960 -0.001 0.000 0.228 10 G HA3 -0.091 3.868 3.960 -0.001 0.000 0.228 10 G C -3.013 171.795 174.900 -0.153 0.000 1.372 10 G CA -0.357 44.695 45.100 -0.081 0.000 0.862 10 G HN 0.414 nan 8.290 nan 0.000 0.547 11 P HA 0.406 nan 4.420 nan 0.000 0.276 11 P C -0.263 176.661 177.300 -0.628 0.000 1.235 11 P CA 0.083 62.884 63.100 -0.497 0.000 0.772 11 P CB 0.727 32.025 31.700 -0.669 0.000 0.871 12 L N 4.158 125.044 121.223 -0.562 0.000 2.298 12 L HA 0.339 4.679 4.340 -0.001 0.000 0.284 12 L C 0.584 177.217 176.870 -0.395 0.000 1.013 12 L CA -0.554 54.013 54.840 -0.454 0.000 0.824 12 L CB 1.291 43.083 42.059 -0.444 0.000 1.221 12 L HN 0.457 nan 8.230 nan 0.000 0.418 13 W N 1.935 123.241 121.300 0.010 0.000 3.256 13 W HA 0.127 4.786 4.660 -0.001 0.000 0.269 13 W C 0.824 177.405 176.519 0.102 0.000 1.310 13 W CA -0.186 57.200 57.345 0.067 0.000 1.673 13 W CB 0.262 29.739 29.460 0.028 0.000 1.115 13 W HN 0.570 nan 8.180 nan 0.000 0.686 14 S N -2.023 113.807 115.700 0.217 0.000 2.611 14 S HA 0.071 4.541 4.470 -0.001 0.000 0.270 14 S C 0.189 174.860 174.600 0.119 0.000 1.131 14 S CA -0.761 57.583 58.200 0.238 0.000 0.826 14 S CB 0.718 64.021 63.200 0.172 0.000 1.095 14 S HN 0.134 nan 8.310 nan 0.000 0.461 15 N N 0.611 119.512 118.700 0.336 0.000 2.244 15 N HA -0.134 4.606 4.740 -0.001 0.000 0.183 15 N C 1.799 177.332 175.510 0.040 0.000 1.016 15 N CA 1.339 54.581 53.050 0.320 0.000 0.866 15 N CB -0.372 38.369 38.487 0.424 0.000 0.980 15 N HN 0.735 nan 8.380 nan 0.000 0.430 16 A N 1.511 124.360 122.820 0.048 0.000 1.851 16 A HA -0.222 4.097 4.320 -0.001 0.000 0.216 16 A C 2.082 179.625 177.584 -0.068 0.000 1.195 16 A CA 1.761 53.803 52.037 0.007 0.000 0.622 16 A CB -0.900 18.117 19.000 0.027 0.000 0.831 16 A HN 0.613 nan 8.150 nan 0.000 0.444 17 E N -0.160 119.980 120.200 -0.100 0.000 2.051 17 E HA -0.126 4.223 4.350 -0.001 0.000 0.192 17 E C 2.146 178.560 176.600 -0.311 0.000 0.991 17 E CA 1.207 57.513 56.400 -0.157 0.000 0.799 17 E CB -0.344 29.290 29.700 -0.109 0.000 0.748 17 E HN 0.488 nan 8.360 nan 0.000 0.449 18 A N 1.056 123.548 122.820 -0.548 0.000 1.917 18 A HA -0.241 4.079 4.320 -0.001 0.000 0.219 18 A C 2.160 179.408 177.584 -0.560 0.000 1.182 18 A CA 1.730 53.243 52.037 -0.872 0.000 0.633 18 A CB -0.561 17.227 19.000 -2.021 0.000 0.819 18 A HN 0.326 nan 8.150 nan 0.000 0.448 19 Q N -0.483 119.158 119.800 -0.265 0.000 2.369 19 Q HA -0.135 4.204 4.340 -0.001 0.000 0.206 19 Q C 1.991 177.938 176.000 -0.088 0.000 0.963 19 Q CA 1.433 57.230 55.803 -0.010 0.000 0.894 19 Q CB -0.240 28.546 28.738 0.080 0.000 0.965 19 Q HN 0.870 nan 8.270 nan 0.000 0.475 20 Q N -0.689 119.012 119.800 -0.164 0.000 2.165 20 Q HA 0.008 4.348 4.340 -0.001 0.000 0.197 20 Q C 2.139 178.018 176.000 -0.203 0.000 0.952 20 Q CA 0.882 56.602 55.803 -0.138 0.000 0.848 20 Q CB 0.356 29.028 28.738 -0.109 0.000 0.931 20 Q HN 0.121 nan 8.270 nan 0.000 0.470 21 V N 0.574 120.315 119.914 -0.289 0.000 2.535 21 V HA -0.069 4.050 4.120 -0.001 0.000 0.246 21 V C 2.224 178.052 176.094 -0.444 0.000 1.045 21 V CA 1.660 63.775 62.300 -0.309 0.000 1.058 21 V CB -1.072 30.573 31.823 -0.296 0.000 0.689 21 V HN 0.494 nan 8.190 nan 0.000 0.461 22 G N 1.341 109.677 108.800 -0.772 0.000 2.574 22 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.220 22 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.220 22 G C -0.211 174.197 174.900 -0.819 0.000 1.173 22 G CA 1.446 45.718 45.100 -1.381 0.000 0.772 22 G HN 0.495 nan 8.290 nan 0.000 0.585 23 P HA -0.040 nan 4.420 nan 0.000 0.218 23 P C 1.883 179.124 177.300 -0.099 0.000 1.148 23 P CA 1.184 64.230 63.100 -0.090 0.000 0.822 23 P CB 0.102 31.798 31.700 -0.007 0.000 0.784 24 K N -0.536 119.774 120.400 -0.151 0.000 2.062 24 K HA 0.026 4.346 4.320 -0.001 0.000 0.205 24 K C 2.103 178.647 176.600 -0.095 0.000 1.051 24 K CA 1.092 57.310 56.287 -0.116 0.000 0.941 24 K CB -1.050 31.375 32.500 -0.125 0.000 0.719 24 K HN 0.252 nan 8.250 nan 0.000 0.440 25 I N 1.106 121.609 120.570 -0.112 0.000 2.315 25 I HA -0.233 3.936 4.170 -0.001 0.000 0.248 25 I C 2.392 178.552 176.117 0.072 0.000 1.117 25 I CA 0.995 62.283 61.300 -0.020 0.000 1.404 25 I CB -0.402 37.556 38.000 -0.071 0.000 1.071 25 I HN 0.029 nan 8.210 nan 0.000 0.419 26 A N 0.945 123.770 122.820 0.009 0.000 1.877 26 A HA -0.171 4.148 4.320 -0.001 0.000 0.216 26 A C 2.564 180.182 177.584 0.056 0.000 1.186 26 A CA 1.879 53.956 52.037 0.068 0.000 0.620 26 A CB -0.797 18.262 19.000 0.098 0.000 0.822 26 A HN 0.425 nan 8.150 nan 0.000 0.443 27 A N -0.211 122.609 122.820 -0.000 0.000 1.933 27 A HA 0.164 4.484 4.320 -0.001 0.000 0.218 27 A C 2.429 179.955 177.584 -0.097 0.000 1.175 27 A CA 1.974 53.986 52.037 -0.042 0.000 0.628 27 A CB -0.913 18.047 19.000 -0.066 0.000 0.814 27 A HN 1.110 nan 8.150 nan 0.000 0.444 28 A N -1.756 120.996 122.820 -0.112 0.000 2.067 28 A HA -0.117 4.203 4.320 -0.001 0.000 0.219 28 A C 1.615 178.972 177.584 -0.378 0.000 1.158 28 A CA 1.209 53.094 52.037 -0.254 0.000 0.661 28 A CB -0.590 18.265 19.000 -0.242 0.000 0.801 28 A HN 0.667 nan 8.150 nan 0.000 0.452 29 H N -1.027 118.009 119.070 -0.056 0.000 2.486 29 H HA 0.208 4.764 4.556 -0.001 0.000 0.284 29 H C -0.259 175.078 175.328 0.016 0.000 1.103 29 H CA 0.189 56.237 56.048 0.000 0.000 1.089 29 H CB 0.053 29.825 29.762 0.017 0.000 1.603 29 H HN 0.637 nan 8.280 nan 0.000 0.557 30 Q N -0.043 119.781 119.800 0.041 0.000 2.457 30 Q HA -0.151 4.189 4.340 -0.001 0.000 0.283 30 Q C 0.467 176.506 176.000 0.065 0.000 1.234 30 Q CA 0.653 56.488 55.803 0.053 0.000 0.877 30 Q CB -1.164 27.635 28.738 0.102 0.000 1.250 30 Q HN 0.634 nan 8.270 nan 0.000 0.481 31 G N -0.267 108.568 108.800 0.059 0.000 3.140 31 G HA2 0.644 4.604 3.960 -0.001 0.000 0.271 31 G HA3 0.644 4.604 3.960 -0.001 0.000 0.271 31 G C -0.871 174.057 174.900 0.045 0.000 1.370 31 G CA -0.635 44.487 45.100 0.036 0.000 1.014 31 G HN 0.099 nan 8.290 nan 0.000 0.541 32 N N -0.224 118.501 118.700 0.043 0.000 2.346 32 N HA 0.277 5.017 4.740 -0.001 0.000 0.289 32 N C -1.627 173.955 175.510 0.120 0.000 1.027 32 N CA -0.442 52.650 53.050 0.070 0.000 0.864 32 N CB 2.660 41.167 38.487 0.034 0.000 1.370 32 N HN 0.317 nan 8.380 nan 0.000 0.481 33 F N 2.424 122.366 119.950 -0.014 0.000 2.504 33 F HA 0.091 4.617 4.527 -0.001 0.000 0.369 33 F C 1.878 177.679 175.800 0.001 0.000 1.082 33 F CA -0.202 57.792 58.000 -0.009 0.000 1.216 33 F CB 0.631 39.623 39.000 -0.014 0.000 1.108 33 F HN 0.501 nan 8.300 nan 0.000 0.554 34 T N 1.525 115.790 114.554 -0.482 0.000 3.067 34 T HA 0.280 4.629 4.350 -0.001 0.000 0.261 34 T C 1.498 175.785 174.700 -0.689 0.000 1.110 34 T CA 0.673 62.507 62.100 -0.443 0.000 1.113 34 T CB -0.261 68.457 68.868 -0.249 0.000 0.917 34 T HN 1.358 nan 8.240 nan 0.000 0.499 35 G N 0.409 108.259 108.800 -1.582 0.000 2.259 35 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.217 35 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.217 35 G C -0.023 174.637 174.900 -0.401 0.000 1.001 35 G CA -0.308 44.169 45.100 -1.039 0.000 0.627 35 G HN 0.588 nan 8.290 nan 0.000 0.501 36 Q N 0.426 120.037 119.800 -0.314 0.000 2.293 36 Q HA 0.576 4.916 4.340 -0.001 0.000 0.251 36 Q C 0.279 176.480 176.000 0.335 0.000 0.930 36 Q CA 0.055 55.875 55.803 0.028 0.000 0.893 36 Q CB 1.409 30.123 28.738 -0.040 0.000 1.215 36 Q HN 0.874 nan 8.270 nan 0.000 0.425 37 W N -0.042 121.312 121.300 0.091 0.000 2.982 37 W HA 0.615 5.274 4.660 -0.001 0.000 0.344 37 W C -1.781 174.765 176.519 0.046 0.000 1.215 37 W CA -0.670 56.745 57.345 0.118 0.000 1.182 37 W CB 1.012 30.589 29.460 0.194 0.000 1.437 37 W HN 0.555 nan 8.180 nan 0.000 0.570 38 T N 0.532 115.038 114.554 -0.080 0.000 3.003 38 T HA 0.338 4.688 4.350 -0.001 0.000 0.354 38 T C -1.427 173.223 174.700 -0.083 0.000 1.651 38 T CA -0.166 61.686 62.100 -0.414 0.000 1.103 38 T CB 1.303 69.997 68.868 -0.291 0.000 1.450 38 T HN 0.546 nan 8.240 nan 0.000 0.484 39 T N 2.973 117.441 114.554 -0.144 0.000 2.794 39 T HA 0.374 4.723 4.350 -0.001 0.000 0.296 39 T C 1.710 176.377 174.700 -0.053 0.000 0.949 39 T CA -0.018 62.066 62.100 -0.026 0.000 1.101 39 T CB 0.935 69.783 68.868 -0.033 0.000 0.905 39 T HN 0.688 nan 8.240 nan 0.000 0.516 40 V N 1.683 121.577 119.914 -0.033 0.000 3.431 40 V HA 0.355 4.474 4.120 -0.001 0.000 0.253 40 V C 0.411 176.487 176.094 -0.029 0.000 1.184 40 V CA 0.115 62.396 62.300 -0.032 0.000 1.104 40 V CB 0.124 31.934 31.823 -0.021 0.000 0.799 40 V HN 0.518 nan 8.190 nan 0.000 0.462 41 V N 1.683 121.577 119.914 -0.033 0.000 2.419 41 V HA 0.358 4.478 4.120 -0.001 0.000 0.287 41 V C -0.078 175.997 176.094 -0.031 0.000 1.017 41 V CA -0.691 61.594 62.300 -0.025 0.000 0.844 41 V CB 1.362 33.173 31.823 -0.020 0.000 1.011 41 V HN 0.533 nan 8.190 nan 0.000 0.429 42 E N 3.187 123.382 120.200 -0.009 0.000 2.820 42 E HA -0.025 4.324 4.350 -0.001 0.000 0.251 42 E C 0.829 177.449 176.600 0.035 0.000 0.944 42 E CA 1.046 57.454 56.400 0.013 0.000 0.955 42 E CB 0.210 29.931 29.700 0.036 0.000 0.904 42 E HN 0.877 nan 8.360 nan 0.000 0.513 43 S N 1.691 117.407 115.700 0.027 0.000 3.358 43 S HA -0.311 4.158 4.470 -0.001 0.000 0.309 43 S C 0.354 174.978 174.600 0.039 0.000 1.247 43 S CA 0.968 59.247 58.200 0.130 0.000 0.961 43 S CB -1.323 62.090 63.200 0.354 0.000 1.074 43 S HN 0.793 nan 8.310 nan 0.000 0.625 44 A N -1.648 121.126 122.820 -0.077 0.000 2.150 44 A HA 0.749 5.068 4.320 -0.001 0.000 0.191 44 A C 0.143 177.672 177.584 -0.091 0.000 1.591 44 A CA 0.917 52.928 52.037 -0.043 0.000 1.142 44 A CB 0.575 19.579 19.000 0.007 0.000 1.326 44 A HN 0.635 nan 8.150 nan 0.000 0.470 45 M N -0.099 119.430 119.600 -0.117 0.000 2.365 45 M HA 0.629 5.109 4.480 -0.001 0.000 0.288 45 M C -2.015 174.237 176.300 -0.081 0.000 1.152 45 M CA -0.107 55.136 55.300 -0.095 0.000 0.948 45 M CB 2.000 34.572 32.600 -0.047 0.000 1.729 45 M HN -0.003 nan 8.290 nan 0.000 0.487 46 S N 1.956 117.621 115.700 -0.059 0.000 2.599 46 S HA 0.969 5.439 4.470 -0.001 0.000 0.287 46 S C -1.349 173.281 174.600 0.051 0.000 1.105 46 S CA -0.643 57.578 58.200 0.036 0.000 0.899 46 S CB 2.093 65.359 63.200 0.110 0.000 1.100 46 S HN 1.157 nan 8.310 nan 0.000 0.482 47 V N -0.542 119.443 119.914 0.119 0.000 2.823 47 V HA 0.976 5.096 4.120 -0.001 0.000 0.312 47 V C -0.591 175.618 176.094 0.192 0.000 1.072 47 V CA -0.951 61.405 62.300 0.093 0.000 0.937 47 V CB 1.341 33.194 31.823 0.051 0.000 1.013 47 V HN 0.833 nan 8.190 nan 0.000 0.430 48 V N 0.297 120.298 119.914 0.147 0.000 2.555 48 V HA 0.663 4.782 4.120 -0.001 0.000 0.302 48 V C -0.148 176.098 176.094 0.253 0.000 1.038 48 V CA -0.568 61.896 62.300 0.274 0.000 0.887 48 V CB 1.513 33.383 31.823 0.077 0.000 0.991 48 V HN 1.161 nan 8.190 nan 0.000 0.434 49 E N 2.787 123.182 120.200 0.325 0.000 2.257 49 E HA 0.518 4.867 4.350 -0.001 0.000 0.278 49 E C -1.200 175.504 176.600 0.175 0.000 1.049 49 E CA -0.351 56.146 56.400 0.162 0.000 0.876 49 E CB 1.428 31.171 29.700 0.071 0.000 1.035 49 E HN 0.732 nan 8.360 nan 0.000 0.419 50 V N 4.232 124.194 119.914 0.079 0.000 2.540 50 V HA 0.195 4.314 4.120 -0.001 0.000 0.302 50 V C -0.415 175.646 176.094 -0.054 0.000 1.035 50 V CA -0.911 61.419 62.300 0.049 0.000 0.873 50 V CB 1.771 33.610 31.823 0.027 0.000 0.992 50 V HN 0.722 nan 8.190 nan 0.000 0.428 51 E N 3.905 124.071 120.200 -0.057 0.000 2.194 51 E HA 0.564 4.914 4.350 -0.001 0.000 0.284 51 E C -1.151 175.342 176.600 -0.179 0.000 1.035 51 E CA -0.040 56.286 56.400 -0.122 0.000 0.836 51 E CB 0.743 30.405 29.700 -0.064 0.000 1.070 51 E HN 0.573 nan 8.360 nan 0.000 0.401 52 L N 3.297 124.279 121.223 -0.402 0.000 2.322 52 L HA 0.446 4.786 4.340 -0.001 0.000 0.269 52 L C 0.077 176.779 176.870 -0.280 0.000 1.012 52 L CA -1.318 53.280 54.840 -0.404 0.000 0.815 52 L CB 1.686 43.349 42.059 -0.660 0.000 1.295 52 L HN 0.427 nan 8.230 nan 0.000 0.438 53 Q N 0.433 120.213 119.800 -0.033 0.000 2.222 53 Q HA 0.230 4.569 4.340 -0.001 0.000 0.252 53 Q C 0.782 176.941 176.000 0.265 0.000 0.926 53 Q CA -0.363 55.505 55.803 0.109 0.000 0.899 53 Q CB 2.359 31.159 28.738 0.103 0.000 1.250 53 Q HN 0.436 nan 8.270 nan 0.000 0.441 54 V N 0.886 120.968 119.914 0.281 0.000 2.358 54 V HA -0.146 3.973 4.120 -0.001 0.000 0.246 54 V C 0.826 177.022 176.094 0.171 0.000 1.047 54 V CA 1.628 64.078 62.300 0.250 0.000 1.035 54 V CB -0.064 31.843 31.823 0.140 0.000 0.658 54 V HN 0.716 nan 8.190 nan 0.000 0.452 55 E N 0.799 121.082 120.200 0.139 0.000 2.216 55 E HA 0.235 4.584 4.350 -0.001 0.000 0.260 55 E C -1.056 175.616 176.600 0.120 0.000 0.880 55 E CA -0.598 55.872 56.400 0.116 0.000 0.765 55 E CB 0.889 30.640 29.700 0.086 0.000 1.174 55 E HN 0.327 nan 8.360 nan 0.000 0.417 56 N N 3.155 121.938 118.700 0.138 0.000 2.444 56 N HA 0.212 4.951 4.740 -0.001 0.000 0.271 56 N C -0.518 175.070 175.510 0.130 0.000 1.069 56 N CA 0.034 53.173 53.050 0.149 0.000 0.965 56 N CB 1.717 40.322 38.487 0.198 0.000 1.092 56 N HN 0.548 nan 8.380 nan 0.000 0.476 57 T N -1.422 113.199 114.554 0.112 0.000 2.930 57 T HA 0.922 5.271 4.350 -0.001 0.000 0.290 57 T C 0.348 175.095 174.700 0.077 0.000 1.052 57 T CA -0.906 61.242 62.100 0.080 0.000 1.017 57 T CB 2.355 71.257 68.868 0.056 0.000 1.137 57 T HN 0.568 nan 8.240 nan 0.000 0.511 58 G N -0.249 108.567 108.800 0.027 0.000 2.341 58 G HA2 0.341 4.301 3.960 -0.001 0.000 0.293 58 G HA3 0.341 4.301 3.960 -0.001 0.000 0.293 58 G C -0.056 174.773 174.900 -0.118 0.000 1.298 58 G CA -0.310 44.783 45.100 -0.010 0.000 0.868 58 G HN 1.341 nan 8.290 nan 0.000 0.540 59 I N -2.106 118.303 120.570 -0.269 0.000 3.956 59 I HA 0.437 4.606 4.170 -0.001 0.000 0.333 59 I C 0.312 176.094 176.117 -0.559 0.000 1.302 59 I CA -0.260 60.803 61.300 -0.395 0.000 1.122 59 I CB -0.081 37.657 38.000 -0.437 0.000 1.013 59 I HN 0.287 nan 8.210 nan 0.000 0.405 60 H N 1.993 120.823 119.070 -0.400 0.000 2.499 60 H HA 0.658 5.214 4.556 -0.001 0.000 0.340 60 H C -0.706 174.263 175.328 -0.598 0.000 1.148 60 H CA -0.678 54.993 56.048 -0.628 0.000 1.215 60 H CB 1.363 30.386 29.762 -1.232 0.000 1.529 60 H HN 0.285 nan 8.280 nan 0.000 0.510 61 E N 1.335 121.448 120.200 -0.146 0.000 2.343 61 E HA 0.544 4.894 4.350 -0.001 0.000 0.270 61 E C -1.727 175.096 176.600 0.371 0.000 0.895 61 E CA -1.116 55.345 56.400 0.101 0.000 0.767 61 E CB 2.097 31.836 29.700 0.065 0.000 1.248 61 E HN 0.424 nan 8.360 nan 0.000 0.440 62 F N 1.096 121.241 119.950 0.326 0.000 2.607 62 F HA 0.487 5.013 4.527 -0.002 0.000 0.322 62 F C -1.413 174.555 175.800 0.281 0.000 1.176 62 F CA -0.624 57.567 58.000 0.319 0.000 0.977 62 F CB 1.664 40.899 39.000 0.391 0.000 1.242 62 F HN 0.463 nan 8.300 nan 0.000 0.465 63 K N 3.781 123.889 120.400 -0.486 0.000 2.138 63 K HA 0.749 5.069 4.320 -0.001 0.000 0.263 63 K C -0.668 175.528 176.600 -0.673 0.000 0.965 63 K CA -0.814 55.229 56.287 -0.407 0.000 0.868 63 K CB 2.168 34.527 32.500 -0.235 0.000 1.083 63 K HN 0.704 nan 8.250 nan 0.000 0.443 64 T N 0.389 114.734 114.554 -0.350 0.000 2.718 64 T HA 0.185 4.535 4.350 -0.001 0.000 0.306 64 T C -1.928 172.701 174.700 -0.119 0.000 1.485 64 T CA -0.841 61.121 62.100 -0.230 0.000 0.997 64 T CB 1.306 70.127 68.868 -0.078 0.000 1.504 64 T HN 0.436 nan 8.240 nan 0.000 0.497 65 D N 1.347 121.705 120.400 -0.070 0.000 2.185 65 D HA 0.622 5.261 4.640 -0.001 0.000 0.247 65 D C -0.147 176.107 176.300 -0.076 0.000 1.027 65 D CA -0.066 53.898 54.000 -0.060 0.000 0.861 65 D CB 1.813 42.596 40.800 -0.028 0.000 1.202 65 D HN 0.594 nan 8.370 nan 0.000 0.453 66 V N -1.367 118.458 119.914 -0.148 0.000 3.130 66 V HA 0.532 4.651 4.120 -0.001 0.000 0.310 66 V C -0.083 175.953 176.094 -0.097 0.000 1.158 66 V CA -1.184 60.992 62.300 -0.208 0.000 1.029 66 V CB 1.413 32.802 31.823 -0.722 0.000 1.057 66 V HN 0.383 nan 8.190 nan 0.000 0.436 67 L N 1.907 123.156 121.223 0.044 0.000 2.485 67 L HA 0.470 4.809 4.340 -0.001 0.000 0.275 67 L C 1.091 178.040 176.870 0.131 0.000 1.207 67 L CA 0.692 55.593 54.840 0.100 0.000 0.855 67 L CB 1.001 43.144 42.059 0.139 0.000 1.114 67 L HN 1.033 nan 8.230 nan 0.000 0.485 68 A N 2.117 124.976 122.820 0.065 0.000 2.600 68 A HA 0.541 4.861 4.320 -0.001 0.000 0.252 68 A C 0.712 178.286 177.584 -0.017 0.000 1.200 68 A CA 0.306 52.361 52.037 0.031 0.000 0.981 68 A CB 0.225 19.204 19.000 -0.036 0.000 1.207 68 A HN 1.027 nan 8.150 nan 0.000 0.577 69 G N 0.439 109.236 108.800 -0.005 0.000 2.828 69 G HA2 -0.105 3.855 3.960 -0.001 0.000 0.463 69 G HA3 -0.105 3.855 3.960 -0.001 0.000 0.463 69 G C -3.010 171.823 174.900 -0.113 0.000 1.394 69 G CA -0.363 44.716 45.100 -0.034 0.000 0.862 69 G HN 0.372 nan 8.290 nan 0.000 0.540 70 P HA 0.439 nan 4.420 nan 0.000 0.276 70 P C -0.267 176.652 177.300 -0.634 0.000 1.235 70 P CA 0.022 62.859 63.100 -0.438 0.000 0.772 70 P CB 0.790 32.204 31.700 -0.478 0.000 0.871 71 L N 3.889 124.721 121.223 -0.652 0.000 2.333 71 L HA 0.363 4.702 4.340 -0.001 0.000 0.280 71 L C 0.613 177.126 176.870 -0.595 0.000 1.004 71 L CA -0.576 53.902 54.840 -0.602 0.000 0.820 71 L CB 1.618 43.307 42.059 -0.617 0.000 1.247 71 L HN 0.450 nan 8.230 nan 0.000 0.416 72 W N 1.584 122.870 121.300 -0.024 0.000 3.256 72 W HA 0.126 4.786 4.660 -0.001 0.000 0.269 72 W C 0.845 177.422 176.519 0.096 0.000 1.310 72 W CA -0.147 57.229 57.345 0.052 0.000 1.673 72 W CB 0.327 29.798 29.460 0.019 0.000 1.115 72 W HN 0.578 nan 8.180 nan 0.000 0.686 73 S N -1.996 113.817 115.700 0.188 0.000 2.611 73 S HA 0.094 4.564 4.470 -0.001 0.000 0.270 73 S C 0.202 174.905 174.600 0.171 0.000 1.131 73 S CA -0.735 57.608 58.200 0.240 0.000 0.826 73 S CB 0.785 64.089 63.200 0.174 0.000 1.095 73 S HN 0.127 nan 8.310 nan 0.000 0.461 74 N N 0.451 119.374 118.700 0.372 0.000 2.166 74 N HA -0.168 4.571 4.740 -0.001 0.000 0.186 74 N C 0.524 176.089 175.510 0.091 0.000 1.019 74 N CA 1.751 55.033 53.050 0.387 0.000 0.856 74 N CB -0.295 38.438 38.487 0.410 0.000 0.993 74 N HN 0.622 nan 8.380 nan 0.000 0.426 75 D N 0.892 121.339 120.400 0.077 0.000 2.104 75 D HA -0.186 4.454 4.640 -0.001 0.000 0.194 75 D C 1.710 177.984 176.300 -0.043 0.000 0.994 75 D CA 0.997 55.014 54.000 0.029 0.000 0.830 75 D CB -0.308 40.517 40.800 0.042 0.000 0.959 75 D HN 0.493 nan 8.370 nan 0.000 0.452 76 E N 0.173 120.327 120.200 -0.077 0.000 2.072 76 E HA -0.122 4.227 4.350 -0.001 0.000 0.191 76 E C 1.996 178.419 176.600 -0.294 0.000 0.985 76 E CA 0.921 57.240 56.400 -0.134 0.000 0.801 76 E CB 0.006 29.658 29.700 -0.080 0.000 0.750 76 E HN 0.163 nan 8.360 nan 0.000 0.452 77 A N 1.021 123.526 122.820 -0.525 0.000 1.883 77 A HA -0.222 4.098 4.320 -0.001 0.000 0.217 77 A C 2.146 179.425 177.584 -0.509 0.000 1.186 77 A CA 1.473 53.001 52.037 -0.849 0.000 0.624 77 A CB -0.496 17.330 19.000 -1.957 0.000 0.822 77 A HN 0.259 nan 8.150 nan 0.000 0.444 78 Q N -0.398 119.279 119.800 -0.205 0.000 2.224 78 Q HA -0.138 4.202 4.340 -0.001 0.000 0.203 78 Q C 1.979 177.956 176.000 -0.039 0.000 0.970 78 Q CA 1.714 57.543 55.803 0.043 0.000 0.865 78 Q CB -0.322 28.478 28.738 0.103 0.000 0.922 78 Q HN 0.820 nan 8.270 nan 0.000 0.445 79 K N 0.406 120.740 120.400 -0.109 0.000 2.044 79 K HA -0.003 4.317 4.320 -0.001 0.000 0.204 79 K C 1.996 178.510 176.600 -0.144 0.000 1.049 79 K CA 0.555 56.787 56.287 -0.091 0.000 0.945 79 K CB 0.118 32.575 32.500 -0.073 0.000 0.724 79 K HN 0.131 nan 8.250 nan 0.000 0.440 80 L N -0.059 121.028 121.223 -0.228 0.000 2.307 80 L HA 0.077 4.417 4.340 -0.001 0.000 0.211 80 L C 2.435 179.079 176.870 -0.377 0.000 1.099 80 L CA 0.559 55.250 54.840 -0.248 0.000 0.816 80 L CB -0.501 41.417 42.059 -0.234 0.000 0.952 80 L HN 0.371 nan 8.230 nan 0.000 0.455 81 G N 1.736 110.137 108.800 -0.665 0.000 2.574 81 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.220 81 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.220 81 G C -0.680 173.802 174.900 -0.696 0.000 1.173 81 G CA 1.108 45.424 45.100 -1.307 0.000 0.772 81 G HN 0.299 nan 8.290 nan 0.000 0.585 82 P HA -0.099 nan 4.420 nan 0.000 0.215 82 P C 1.994 179.271 177.300 -0.037 0.000 1.157 82 P CA 1.587 64.677 63.100 -0.017 0.000 0.874 82 P CB -0.084 31.635 31.700 0.033 0.000 0.790 83 Q N -1.107 118.646 119.800 -0.078 0.000 2.119 83 Q HA -0.078 4.261 4.340 -0.001 0.000 0.201 83 Q C 2.196 178.176 176.000 -0.033 0.000 0.972 83 Q CA 1.066 56.840 55.803 -0.048 0.000 0.847 83 Q CB -0.511 28.191 28.738 -0.060 0.000 0.903 83 Q HN 0.276 nan 8.270 nan 0.000 0.433 84 I N 0.590 121.117 120.570 -0.071 0.000 2.226 84 I HA -0.275 3.894 4.170 -0.001 0.000 0.245 84 I C 2.397 178.596 176.117 0.136 0.000 1.100 84 I CA 0.959 62.260 61.300 0.002 0.000 1.374 84 I CB -0.395 37.565 38.000 -0.066 0.000 1.057 84 I HN 0.165 nan 8.210 nan 0.000 0.413 85 A N 0.796 123.654 122.820 0.065 0.000 1.933 85 A HA -0.167 4.152 4.320 -0.001 0.000 0.218 85 A C 2.550 180.228 177.584 0.158 0.000 1.175 85 A CA 1.804 53.916 52.037 0.126 0.000 0.628 85 A CB -0.798 18.263 19.000 0.102 0.000 0.814 85 A HN 0.437 nan 8.150 nan 0.000 0.444 86 A N 0.392 123.273 122.820 0.101 0.000 1.940 86 A HA -0.115 4.204 4.320 -0.001 0.000 0.219 86 A C 2.432 180.083 177.584 0.112 0.000 1.176 86 A CA 2.259 54.353 52.037 0.096 0.000 0.631 86 A CB -0.975 18.054 19.000 0.048 0.000 0.814 86 A HN 1.109 nan 8.150 nan 0.000 0.446 87 S N -2.176 113.575 115.700 0.085 0.000 2.507 87 S HA -0.078 4.391 4.470 -0.001 0.000 0.235 87 S C 1.175 175.748 174.600 -0.044 0.000 0.988 87 S CA 0.997 59.198 58.200 0.002 0.000 0.944 87 S CB -0.596 62.556 63.200 -0.081 0.000 0.762 87 S HN 0.587 nan 8.310 nan 0.000 0.526 88 Y N 1.219 121.570 120.300 0.085 0.000 2.531 88 Y HA 0.433 4.983 4.550 -0.001 0.000 0.249 88 Y C 1.623 177.630 175.900 0.178 0.000 1.168 88 Y CA -0.307 57.873 58.100 0.132 0.000 1.226 88 Y CB 0.348 38.848 38.460 0.066 0.000 1.177 88 Y HN 0.355 nan 8.280 nan 0.000 0.527 89 G N 0.835 109.800 108.800 0.274 0.000 2.273 89 G HA2 -0.061 3.898 3.960 -0.001 0.000 0.280 89 G HA3 -0.061 3.898 3.960 -0.001 0.000 0.280 89 G C 0.083 175.116 174.900 0.223 0.000 1.047 89 G CA 0.335 45.593 45.100 0.263 0.000 0.869 89 G HN 0.674 nan 8.290 nan 0.000 0.502 90 A N -1.239 121.654 122.820 0.121 0.000 2.524 90 A HA 0.913 5.232 4.320 -0.001 0.000 0.289 90 A C -0.334 177.270 177.584 0.032 0.000 1.248 90 A CA -0.522 51.511 52.037 -0.005 0.000 0.712 90 A CB 1.109 19.892 19.000 -0.362 0.000 1.312 90 A HN 0.350 nan 8.150 nan 0.000 0.441 91 E N -0.433 119.773 120.200 0.010 0.000 2.212 91 E HA 0.481 4.830 4.350 -0.001 0.000 0.270 91 E C -1.638 175.018 176.600 0.094 0.000 0.956 91 E CA -0.544 55.893 56.400 0.061 0.000 0.825 91 E CB 2.083 31.811 29.700 0.048 0.000 1.167 91 E HN 0.441 nan 8.360 nan 0.000 0.400 92 F N 1.940 121.868 119.950 -0.038 0.000 2.410 92 F HA 0.125 4.651 4.527 -0.000 0.000 0.348 92 F C 1.308 177.092 175.800 -0.026 0.000 1.106 92 F CA -0.463 57.513 58.000 -0.040 0.000 1.163 92 F CB 1.099 40.081 39.000 -0.030 0.000 1.129 92 F HN 0.430 nan 8.300 nan 0.000 0.516 93 T N 1.273 115.536 114.554 -0.485 0.000 3.067 93 T HA 0.302 4.652 4.350 -0.001 0.000 0.257 93 T C 1.427 175.698 174.700 -0.715 0.000 1.105 93 T CA 0.673 62.496 62.100 -0.460 0.000 1.104 93 T CB -0.260 68.442 68.868 -0.277 0.000 0.925 93 T HN 1.396 nan 8.240 nan 0.000 0.498 94 G N 0.566 108.386 108.800 -1.634 0.000 2.259 94 G HA2 -0.176 3.784 3.960 -0.001 0.000 0.217 94 G HA3 -0.176 3.784 3.960 -0.001 0.000 0.217 94 G C -0.037 174.597 174.900 -0.443 0.000 1.001 94 G CA -0.252 44.180 45.100 -1.114 0.000 0.627 94 G HN 0.614 nan 8.290 nan 0.000 0.501 95 Q N 0.403 120.003 119.800 -0.333 0.000 2.259 95 Q HA 0.602 4.942 4.340 -0.001 0.000 0.249 95 Q C 0.268 176.441 176.000 0.290 0.000 0.914 95 Q CA -0.019 55.782 55.803 -0.004 0.000 0.904 95 Q CB 1.494 30.186 28.738 -0.077 0.000 1.213 95 Q HN 0.913 nan 8.270 nan 0.000 0.428 96 W N 1.193 122.532 121.300 0.065 0.000 3.057 96 W HA 0.624 5.283 4.660 -0.002 0.000 0.328 96 W C -1.544 174.992 176.519 0.027 0.000 1.232 96 W CA -0.876 56.525 57.345 0.094 0.000 1.187 96 W CB 0.860 30.429 29.460 0.181 0.000 1.417 96 W HN 0.724 nan 8.180 nan 0.000 0.569 97 R N 0.278 120.701 120.500 -0.128 0.000 2.664 97 R HA 0.536 4.875 4.340 -0.001 0.000 0.266 97 R C -1.563 174.678 176.300 -0.098 0.000 1.046 97 R CA -0.731 55.100 56.100 -0.448 0.000 0.885 97 R CB 1.507 31.619 30.300 -0.314 0.000 1.254 97 R HN 0.292 nan 8.270 nan 0.000 0.465 98 T N 2.659 117.123 114.554 -0.150 0.000 2.780 98 T HA 0.265 4.614 4.350 -0.001 0.000 0.294 98 T C 1.344 176.016 174.700 -0.046 0.000 0.949 98 T CA -0.609 61.478 62.100 -0.021 0.000 1.074 98 T CB 0.604 69.459 68.868 -0.021 0.000 0.910 98 T HN 0.608 nan 8.240 nan 0.000 0.501 99 I N 1.184 121.741 120.570 -0.022 0.000 3.035 99 I HA 0.351 4.520 4.170 -0.001 0.000 0.271 99 I C -0.054 176.054 176.117 -0.014 0.000 1.190 99 I CA 0.197 61.484 61.300 -0.020 0.000 1.472 99 I CB 0.441 38.436 38.000 -0.008 0.000 1.116 99 I HN 0.196 nan 8.210 nan 0.000 0.443 100 V N 2.619 122.525 119.914 -0.013 0.000 2.488 100 V HA 0.214 4.334 4.120 -0.001 0.000 0.293 100 V C -0.161 175.932 176.094 -0.002 0.000 1.027 100 V CA -0.689 61.610 62.300 -0.002 0.000 0.862 100 V CB 1.485 33.312 31.823 0.006 0.000 1.008 100 V HN 0.268 nan 8.190 nan 0.000 0.428 101 E N 3.363 123.570 120.200 0.012 0.000 2.652 101 E HA 0.142 4.491 4.350 -0.001 0.000 0.255 101 E C 1.379 178.021 176.600 0.070 0.000 0.952 101 E CA 1.245 57.667 56.400 0.036 0.000 0.947 101 E CB 0.363 30.094 29.700 0.052 0.000 0.912 101 E HN 1.168 nan 8.360 nan 0.000 0.489 102 G N 2.599 111.454 108.800 0.093 0.000 2.180 102 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.263 102 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.263 102 G C 0.596 175.598 174.900 0.170 0.000 0.989 102 G CA 0.516 45.766 45.100 0.250 0.000 0.692 102 G HN 0.463 nan 8.290 nan 0.000 0.526 103 V N -1.732 118.195 119.914 0.021 0.000 3.103 103 V HA 0.659 4.779 4.120 -0.001 0.000 0.229 103 V C 0.357 176.429 176.094 -0.035 0.000 1.304 103 V CA 1.708 64.024 62.300 0.026 0.000 1.298 103 V CB 0.735 32.580 31.823 0.038 0.000 1.093 103 V HN 0.442 nan 8.190 nan 0.000 0.489 104 M N -0.237 119.326 119.600 -0.061 0.000 2.365 104 M HA 0.664 5.143 4.480 -0.001 0.000 0.287 104 M C -1.342 174.927 176.300 -0.052 0.000 1.154 104 M CA -0.036 55.231 55.300 -0.056 0.000 0.941 104 M CB 2.284 34.879 32.600 -0.010 0.000 1.704 104 M HN 0.068 nan 8.290 nan 0.000 0.479 105 S N 1.783 117.460 115.700 -0.039 0.000 2.671 105 S HA 0.981 5.451 4.470 -0.001 0.000 0.299 105 S C -1.254 173.384 174.600 0.063 0.000 1.116 105 S CA -0.645 57.582 58.200 0.045 0.000 0.912 105 S CB 2.015 65.284 63.200 0.115 0.000 1.130 105 S HN 1.048 nan 8.310 nan 0.000 0.501 106 V N -0.507 119.479 119.914 0.119 0.000 2.962 106 V HA 0.831 4.950 4.120 -0.001 0.000 0.313 106 V C -0.875 175.323 176.094 0.172 0.000 1.099 106 V CA -1.125 61.228 62.300 0.088 0.000 0.971 106 V CB 1.267 33.117 31.823 0.044 0.000 1.028 106 V HN 0.947 nan 8.190 nan 0.000 0.430 107 I N -0.127 120.513 120.570 0.118 0.000 2.646 107 I HA 0.647 4.816 4.170 -0.001 0.000 0.299 107 I C -0.365 175.845 176.117 0.155 0.000 1.036 107 I CA -0.801 60.648 61.300 0.249 0.000 1.074 107 I CB 2.002 40.097 38.000 0.158 0.000 1.258 107 I HN 0.897 nan 8.210 nan 0.000 0.430 108 Q N 5.708 125.630 119.800 0.203 0.000 2.279 108 Q HA 0.550 4.889 4.340 -0.001 0.000 0.256 108 Q C -0.923 175.095 176.000 0.030 0.000 0.937 108 Q CA -0.613 55.210 55.803 0.033 0.000 0.933 108 Q CB 1.224 29.944 28.738 -0.031 0.000 1.189 108 Q HN 0.767 nan 8.270 nan 0.000 0.417 109 I N 0.186 120.705 120.570 -0.085 0.000 2.863 109 I HA 0.627 4.796 4.170 -0.001 0.000 0.311 109 I C -1.042 174.961 176.117 -0.189 0.000 1.026 109 I CA -1.112 60.108 61.300 -0.135 0.000 1.077 109 I CB 1.969 39.792 38.000 -0.295 0.000 1.262 109 I HN 0.450 nan 8.210 nan 0.000 0.461 110 K N 3.667 123.970 120.400 -0.163 0.000 2.502 110 K HA 0.416 4.735 4.320 -0.001 0.000 0.254 110 K C -1.943 174.650 176.600 -0.013 0.000 0.947 110 K CA -0.535 55.709 56.287 -0.071 0.000 0.834 110 K CB 1.216 33.700 32.500 -0.027 0.000 1.112 110 K HN 0.669 nan 8.250 nan 0.000 0.427 111 Y N 1.378 121.795 120.300 0.195 0.000 2.299 111 Y HA 0.243 4.792 4.550 -0.002 0.000 0.326 111 Y C 0.404 176.496 175.900 0.320 0.000 1.164 111 Y CA -0.119 58.151 58.100 0.282 0.000 1.234 111 Y CB 2.019 40.701 38.460 0.370 0.000 1.219 111 Y HN 0.401 nan 8.280 nan 0.000 0.497 112 T N 5.325 120.152 114.554 0.456 0.000 2.841 112 T HA 0.586 4.935 4.350 -0.001 0.000 0.285 112 T C -1.103 173.818 174.700 0.369 0.000 0.991 112 T CA -0.619 61.648 62.100 0.280 0.000 0.966 112 T CB 0.262 69.219 68.868 0.148 0.000 0.962 112 T HN 0.481 nan 8.240 nan 0.000 0.438 113 F N 0.000 120.065 119.950 0.191 0.000 2.286 113 F HA 0.000 4.527 4.527 0.000 0.000 0.279 113 F CA 0.000 58.101 58.000 0.169 0.000 1.383 113 F CB 0.000 39.061 39.000 0.101 0.000 1.145 113 F HN 0.000 nan 8.300 nan 0.000 0.574