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 1zhq_1_F 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 0.131 0.000 1.274 1 A CA 0.000 52.088 52.037 0.086 0.000 0.836 1 A CB 0.000 19.045 19.000 0.075 0.000 0.831 2 S N -0.151 115.631 115.700 0.136 0.000 2.671 2 S HA 1.002 5.471 4.470 -0.002 0.000 0.299 2 S C -0.654 174.094 174.600 0.247 0.000 1.116 2 S CA -0.168 58.129 58.200 0.162 0.000 0.912 2 S CB 1.682 64.918 63.200 0.060 0.000 1.130 2 S HN 2.104 nan 8.310 nan 0.000 0.501 3 Y N -1.657 118.660 120.300 0.029 0.000 2.670 3 Y HA 0.793 5.342 4.550 -0.001 0.000 0.334 3 Y C -1.444 174.470 175.900 0.024 0.000 1.185 3 Y CA -1.301 56.812 58.100 0.022 0.000 1.053 3 Y CB 0.751 39.223 38.460 0.021 0.000 1.298 3 Y HN 0.745 nan 8.280 nan 0.000 0.459 4 K N 1.692 122.109 120.400 0.028 0.000 2.318 4 K HA 0.793 5.112 4.320 -0.002 0.000 0.249 4 K C -1.305 175.306 176.600 0.018 0.000 0.942 4 K CA -1.059 55.192 56.287 -0.060 0.000 0.808 4 K CB 2.975 35.467 32.500 -0.014 0.000 1.189 4 K HN 0.771 nan 8.250 nan 0.000 0.428 5 V N -1.475 118.421 119.914 -0.030 0.000 3.159 5 V HA 0.533 4.652 4.120 -0.002 0.000 0.308 5 V C -1.268 174.826 176.094 0.001 0.000 1.190 5 V CA -1.149 61.160 62.300 0.015 0.000 1.037 5 V CB 2.123 33.962 31.823 0.028 0.000 1.060 5 V HN 0.637 nan 8.190 nan 0.000 0.437 6 N N 1.701 120.406 118.700 0.008 0.000 2.421 6 N HA 0.678 5.417 4.740 -0.002 0.000 0.285 6 N C -1.007 174.489 175.510 -0.023 0.000 1.027 6 N CA -0.194 52.865 53.050 0.015 0.000 0.918 6 N CB 1.875 40.377 38.487 0.024 0.000 1.152 6 N HN 0.747 nan 8.380 nan 0.000 0.485 7 I N 2.719 123.267 120.570 -0.037 0.000 2.474 7 I HA 0.347 4.516 4.170 -0.002 0.000 0.294 7 I C -2.200 173.878 176.117 -0.065 0.000 1.005 7 I CA -2.300 58.935 61.300 -0.107 0.000 1.113 7 I CB 2.278 40.144 38.000 -0.222 0.000 1.289 7 I HN 0.135 nan 8.210 nan 0.000 0.436 8 P HA 0.052 nan 4.420 nan 0.000 0.267 8 P C -0.235 177.042 177.300 -0.039 0.000 1.200 8 P CA 0.125 63.204 63.100 -0.035 0.000 0.772 8 P CB 0.798 32.482 31.700 -0.026 0.000 0.855 9 A N 1.889 124.684 122.820 -0.041 0.000 2.704 9 A HA 0.587 4.906 4.320 -0.002 0.000 0.260 9 A C 0.740 178.287 177.584 -0.062 0.000 1.144 9 A CA 0.508 52.507 52.037 -0.064 0.000 0.985 9 A CB -0.475 18.458 19.000 -0.111 0.000 1.256 9 A HN 0.781 nan 8.150 nan 0.000 0.598 10 G N 0.391 109.164 108.800 -0.045 0.000 2.760 10 G HA2 -0.081 3.878 3.960 -0.002 0.000 0.246 10 G HA3 -0.081 3.878 3.960 -0.002 0.000 0.246 10 G C -3.071 171.774 174.900 -0.092 0.000 1.359 10 G CA -0.346 44.730 45.100 -0.040 0.000 0.861 10 G HN 0.422 nan 8.290 nan 0.000 0.541 11 P HA 0.459 nan 4.420 nan 0.000 0.276 11 P C -0.295 176.737 177.300 -0.446 0.000 1.230 11 P CA -0.039 62.856 63.100 -0.341 0.000 0.776 11 P CB 0.852 32.293 31.700 -0.430 0.000 0.888 12 L N 3.652 124.576 121.223 -0.498 0.000 2.325 12 L HA 0.345 4.684 4.340 -0.002 0.000 0.281 12 L C 0.512 177.114 176.870 -0.445 0.000 1.004 12 L CA -0.524 54.047 54.840 -0.448 0.000 0.823 12 L CB 1.469 43.190 42.059 -0.563 0.000 1.236 12 L HN 0.461 nan 8.230 nan 0.000 0.415 13 W N 1.579 122.851 121.300 -0.047 0.000 3.290 13 W HA 0.139 4.798 4.660 -0.001 0.000 0.287 13 W C 0.887 177.449 176.519 0.071 0.000 1.288 13 W CA -0.159 57.208 57.345 0.037 0.000 1.725 13 W CB 0.345 29.812 29.460 0.012 0.000 1.103 13 W HN 0.556 nan 8.180 nan 0.000 0.670 14 S N -2.025 113.767 115.700 0.154 0.000 2.595 14 S HA 0.154 4.623 4.470 -0.002 0.000 0.270 14 S C 0.156 174.794 174.600 0.064 0.000 1.145 14 S CA -0.746 57.563 58.200 0.181 0.000 0.825 14 S CB 0.892 64.176 63.200 0.140 0.000 1.107 14 S HN 0.134 nan 8.310 nan 0.000 0.461 15 N N 0.495 119.350 118.700 0.258 0.000 2.166 15 N HA -0.138 4.601 4.740 -0.002 0.000 0.186 15 N C 1.894 177.421 175.510 0.029 0.000 1.019 15 N CA 1.238 54.445 53.050 0.261 0.000 0.856 15 N CB -0.346 38.350 38.487 0.348 0.000 0.993 15 N HN 0.735 nan 8.380 nan 0.000 0.426 16 A N 1.177 124.019 122.820 0.038 0.000 1.883 16 A HA -0.217 4.102 4.320 -0.002 0.000 0.217 16 A C 2.048 179.592 177.584 -0.067 0.000 1.186 16 A CA 1.494 53.533 52.037 0.003 0.000 0.624 16 A CB -0.719 18.293 19.000 0.021 0.000 0.822 16 A HN 0.504 nan 8.150 nan 0.000 0.444 17 E N -0.403 119.735 120.200 -0.104 0.000 2.047 17 E HA -0.105 4.244 4.350 -0.002 0.000 0.191 17 E C 2.256 178.672 176.600 -0.307 0.000 0.987 17 E CA 0.912 57.218 56.400 -0.157 0.000 0.799 17 E CB -0.240 29.394 29.700 -0.110 0.000 0.752 17 E HN 0.537 nan 8.360 nan 0.000 0.449 18 A N 1.102 123.603 122.820 -0.531 0.000 1.883 18 A HA -0.224 4.095 4.320 -0.002 0.000 0.217 18 A C 2.091 179.397 177.584 -0.463 0.000 1.186 18 A CA 1.469 53.027 52.037 -0.798 0.000 0.624 18 A CB -0.500 17.444 19.000 -1.760 0.000 0.822 18 A HN 0.245 nan 8.150 nan 0.000 0.444 19 Q N -0.490 119.199 119.800 -0.186 0.000 2.364 19 Q HA -0.146 4.193 4.340 -0.002 0.000 0.207 19 Q C 1.920 177.878 176.000 -0.070 0.000 0.970 19 Q CA 1.473 57.292 55.803 0.027 0.000 0.888 19 Q CB -0.285 28.515 28.738 0.104 0.000 0.951 19 Q HN 0.849 nan 8.270 nan 0.000 0.469 20 Q N -0.804 118.910 119.800 -0.143 0.000 2.259 20 Q HA 0.015 4.354 4.340 -0.002 0.000 0.201 20 Q C 2.077 177.964 176.000 -0.188 0.000 0.938 20 Q CA 0.605 56.333 55.803 -0.125 0.000 0.872 20 Q CB 0.557 29.239 28.738 -0.094 0.000 0.971 20 Q HN 0.126 nan 8.270 nan 0.000 0.494 21 V N -0.053 119.697 119.914 -0.273 0.000 2.446 21 V HA -0.066 4.053 4.120 -0.002 0.000 0.244 21 V C 2.150 177.993 176.094 -0.418 0.000 1.039 21 V CA 1.669 63.795 62.300 -0.290 0.000 1.045 21 V CB -0.952 30.705 31.823 -0.276 0.000 0.681 21 V HN 0.488 nan 8.190 nan 0.000 0.459 22 G N 1.273 109.622 108.800 -0.751 0.000 2.529 22 G HA2 -0.248 3.711 3.960 -0.002 0.000 0.219 22 G HA3 -0.248 3.711 3.960 -0.002 0.000 0.219 22 G C -0.214 174.258 174.900 -0.714 0.000 1.177 22 G CA 1.422 45.728 45.100 -1.324 0.000 0.773 22 G HN 0.490 nan 8.290 nan 0.000 0.573 23 P HA -0.057 nan 4.420 nan 0.000 0.216 23 P C 1.932 179.184 177.300 -0.080 0.000 1.150 23 P CA 1.257 64.318 63.100 -0.064 0.000 0.837 23 P CB 0.086 31.785 31.700 -0.000 0.000 0.786 24 K N -0.739 119.583 120.400 -0.130 0.000 2.057 24 K HA -0.026 4.293 4.320 -0.002 0.000 0.206 24 K C 1.984 178.534 176.600 -0.084 0.000 1.050 24 K CA 1.088 57.313 56.287 -0.102 0.000 0.935 24 K CB -1.111 31.323 32.500 -0.111 0.000 0.715 24 K HN 0.146 nan 8.250 nan 0.000 0.439 25 I N 1.385 121.897 120.570 -0.097 0.000 2.179 25 I HA -0.204 3.965 4.170 -0.002 0.000 0.242 25 I C 2.425 178.593 176.117 0.085 0.000 1.088 25 I CA 1.197 62.494 61.300 -0.004 0.000 1.357 25 I CB -1.530 36.438 38.000 -0.053 0.000 1.051 25 I HN 0.006 nan 8.210 nan 0.000 0.409 26 A N 1.121 123.956 122.820 0.026 0.000 1.865 26 A HA -0.193 4.126 4.320 -0.002 0.000 0.217 26 A C 2.586 180.204 177.584 0.056 0.000 1.191 26 A CA 2.454 54.539 52.037 0.079 0.000 0.623 26 A CB -0.967 18.098 19.000 0.108 0.000 0.826 26 A HN 0.428 nan 8.150 nan 0.000 0.444 27 A N -0.349 122.471 122.820 -0.000 0.000 1.940 27 A HA 0.137 4.456 4.320 -0.002 0.000 0.219 27 A C 2.451 179.970 177.584 -0.109 0.000 1.176 27 A CA 2.123 54.133 52.037 -0.044 0.000 0.631 27 A CB -0.944 18.017 19.000 -0.064 0.000 0.814 27 A HN 1.161 nan 8.150 nan 0.000 0.446 28 A N -1.746 120.995 122.820 -0.131 0.000 2.015 28 A HA -0.123 4.196 4.320 -0.002 0.000 0.219 28 A C 1.677 179.000 177.584 -0.436 0.000 1.163 28 A CA 1.263 53.127 52.037 -0.288 0.000 0.646 28 A CB -0.593 18.244 19.000 -0.272 0.000 0.806 28 A HN 0.666 nan 8.150 nan 0.000 0.448 29 H N -0.926 118.109 119.070 -0.059 0.000 2.487 29 H HA 0.203 4.758 4.556 -0.001 0.000 0.290 29 H C -0.254 175.078 175.328 0.007 0.000 1.081 29 H CA 0.265 56.309 56.048 -0.007 0.000 1.116 29 H CB 0.035 29.806 29.762 0.016 0.000 1.560 29 H HN 0.643 nan 8.280 nan 0.000 0.548 30 Q N -0.073 119.742 119.800 0.025 0.000 2.453 30 Q HA -0.152 4.187 4.340 -0.002 0.000 0.294 30 Q C 0.457 176.496 176.000 0.065 0.000 1.295 30 Q CA 0.650 56.480 55.803 0.045 0.000 0.853 30 Q CB -1.232 27.558 28.738 0.086 0.000 1.193 30 Q HN 0.634 nan 8.270 nan 0.000 0.461 31 G N -0.278 108.559 108.800 0.060 0.000 3.105 31 G HA2 0.627 4.586 3.960 -0.002 0.000 0.277 31 G HA3 0.627 4.586 3.960 -0.002 0.000 0.277 31 G C -0.965 173.967 174.900 0.052 0.000 1.375 31 G CA -0.655 44.469 45.100 0.040 0.000 0.962 31 G HN 0.089 nan 8.290 nan 0.000 0.541 32 N N -0.043 118.686 118.700 0.048 0.000 2.399 32 N HA 0.278 5.017 4.740 -0.002 0.000 0.280 32 N C -1.417 174.166 175.510 0.121 0.000 1.008 32 N CA -0.446 52.649 53.050 0.075 0.000 0.894 32 N CB 2.506 41.017 38.487 0.039 0.000 1.273 32 N HN 0.322 nan 8.380 nan 0.000 0.486 33 F N 2.511 122.457 119.950 -0.007 0.000 2.578 33 F HA 0.018 4.544 4.527 -0.002 0.000 0.376 33 F C 1.885 177.689 175.800 0.008 0.000 1.085 33 F CA -0.015 57.984 58.000 -0.001 0.000 1.260 33 F CB 0.612 39.609 39.000 -0.004 0.000 1.095 33 F HN 0.492 nan 8.300 nan 0.000 0.573 34 T N 1.685 115.933 114.554 -0.510 0.000 3.100 34 T HA 0.315 4.664 4.350 -0.002 0.000 0.253 34 T C 1.456 175.742 174.700 -0.690 0.000 1.118 34 T CA 0.553 62.380 62.100 -0.454 0.000 1.058 34 T CB -0.350 68.371 68.868 -0.246 0.000 0.953 34 T HN 1.424 nan 8.240 nan 0.000 0.515 35 G N 0.685 108.529 108.800 -1.593 0.000 2.254 35 G HA2 -0.196 3.763 3.960 -0.002 0.000 0.225 35 G HA3 -0.196 3.763 3.960 -0.002 0.000 0.225 35 G C -0.013 174.660 174.900 -0.378 0.000 1.003 35 G CA -0.192 44.326 45.100 -0.971 0.000 0.622 35 G HN 0.625 nan 8.290 nan 0.000 0.507 36 Q N 0.468 120.083 119.800 -0.308 0.000 2.261 36 Q HA 0.576 4.915 4.340 -0.002 0.000 0.252 36 Q C 0.236 176.439 176.000 0.339 0.000 0.915 36 Q CA -0.078 55.744 55.803 0.031 0.000 0.915 36 Q CB 1.383 30.094 28.738 -0.044 0.000 1.204 36 Q HN 0.819 nan 8.270 nan 0.000 0.421 37 W N 0.004 121.363 121.300 0.099 0.000 3.074 37 W HA 0.660 5.319 4.660 -0.001 0.000 0.332 37 W C -1.611 174.932 176.519 0.040 0.000 1.253 37 W CA -0.864 56.553 57.345 0.120 0.000 1.180 37 W CB 0.747 30.311 29.460 0.172 0.000 1.445 37 W HN 0.366 nan 8.180 nan 0.000 0.573 38 T N 1.101 115.738 114.554 0.138 0.000 2.956 38 T HA 0.343 4.692 4.350 -0.002 0.000 0.312 38 T C -0.892 173.831 174.700 0.039 0.000 1.151 38 T CA -0.501 61.538 62.100 -0.102 0.000 1.024 38 T CB 2.162 70.981 68.868 -0.083 0.000 1.140 38 T HN 0.349 nan 8.240 nan 0.000 0.473 39 T N 2.406 116.926 114.554 -0.056 0.000 2.743 39 T HA 0.343 4.693 4.350 -0.002 0.000 0.293 39 T C 1.605 176.282 174.700 -0.038 0.000 0.945 39 T CA -0.428 61.669 62.100 -0.005 0.000 1.030 39 T CB 0.682 69.530 68.868 -0.034 0.000 0.912 39 T HN 0.583 nan 8.240 nan 0.000 0.483 40 V N 2.013 121.912 119.914 -0.024 0.000 3.431 40 V HA 0.397 4.516 4.120 -0.002 0.000 0.253 40 V C 0.371 176.449 176.094 -0.028 0.000 1.184 40 V CA 0.106 62.390 62.300 -0.026 0.000 1.104 40 V CB 0.161 31.975 31.823 -0.015 0.000 0.799 40 V HN 0.506 nan 8.190 nan 0.000 0.462 41 V N 1.607 121.499 119.914 -0.035 0.000 2.488 41 V HA 0.356 4.475 4.120 -0.002 0.000 0.293 41 V C -0.200 175.864 176.094 -0.049 0.000 1.027 41 V CA -0.686 61.595 62.300 -0.031 0.000 0.862 41 V CB 1.568 33.378 31.823 -0.022 0.000 1.008 41 V HN 0.543 nan 8.190 nan 0.000 0.428 42 E N 3.215 123.394 120.200 -0.036 0.000 2.558 42 E HA 0.060 4.409 4.350 -0.002 0.000 0.255 42 E C 0.810 177.390 176.600 -0.034 0.000 0.968 42 E CA 1.081 57.458 56.400 -0.039 0.000 0.939 42 E CB 0.293 29.991 29.700 -0.004 0.000 0.921 42 E HN 0.850 nan 8.360 nan 0.000 0.477 43 S N 1.671 117.306 115.700 -0.109 0.000 3.127 43 S HA -0.303 4.166 4.470 -0.002 0.000 0.281 43 S C 0.356 174.940 174.600 -0.026 0.000 1.293 43 S CA 1.041 59.209 58.200 -0.052 0.000 1.156 43 S CB -1.410 61.912 63.200 0.204 0.000 1.389 43 S HN 0.812 nan 8.310 nan 0.000 0.672 44 A N -1.680 121.088 122.820 -0.086 0.000 2.150 44 A HA 0.750 5.069 4.320 -0.002 0.000 0.191 44 A C 0.114 177.662 177.584 -0.059 0.000 1.591 44 A CA 0.878 52.897 52.037 -0.030 0.000 1.142 44 A CB 0.583 19.588 19.000 0.009 0.000 1.326 44 A HN 0.583 nan 8.150 nan 0.000 0.470 45 M N 0.246 119.793 119.600 -0.089 0.000 2.325 45 M HA 0.620 5.099 4.480 -0.002 0.000 0.285 45 M C -1.909 174.356 176.300 -0.060 0.000 1.119 45 M CA -0.153 55.107 55.300 -0.067 0.000 0.959 45 M CB 1.991 34.572 32.600 -0.032 0.000 1.737 45 M HN -0.005 nan 8.290 nan 0.000 0.486 46 S N 2.249 117.924 115.700 -0.042 0.000 2.599 46 S HA 0.970 5.439 4.470 -0.002 0.000 0.294 46 S C -1.228 173.402 174.600 0.049 0.000 1.094 46 S CA -0.711 57.514 58.200 0.041 0.000 0.931 46 S CB 2.055 65.317 63.200 0.104 0.000 1.093 46 S HN 1.007 nan 8.310 nan 0.000 0.488 47 V N -0.494 119.484 119.914 0.108 0.000 2.914 47 V HA 0.974 5.094 4.120 -0.002 0.000 0.314 47 V C -0.565 175.635 176.094 0.176 0.000 1.084 47 V CA -0.960 61.390 62.300 0.084 0.000 0.963 47 V CB 1.358 33.211 31.823 0.051 0.000 1.025 47 V HN 0.805 nan 8.190 nan 0.000 0.432 48 V N 0.092 120.089 119.914 0.138 0.000 2.555 48 V HA 0.658 4.777 4.120 -0.002 0.000 0.302 48 V C -0.173 176.080 176.094 0.265 0.000 1.038 48 V CA -0.558 61.907 62.300 0.275 0.000 0.887 48 V CB 1.493 33.358 31.823 0.070 0.000 0.991 48 V HN 1.159 nan 8.190 nan 0.000 0.434 49 E N 2.776 123.176 120.200 0.333 0.000 2.290 49 E HA 0.536 4.885 4.350 -0.002 0.000 0.277 49 E C -1.266 175.447 176.600 0.188 0.000 1.035 49 E CA -0.361 56.139 56.400 0.165 0.000 0.873 49 E CB 1.525 31.265 29.700 0.067 0.000 1.029 49 E HN 0.729 nan 8.360 nan 0.000 0.419 50 V N 4.630 124.597 119.914 0.089 0.000 2.588 50 V HA 0.203 4.322 4.120 -0.002 0.000 0.304 50 V C -0.339 175.727 176.094 -0.047 0.000 1.042 50 V CA -0.835 61.504 62.300 0.065 0.000 0.877 50 V CB 1.745 33.598 31.823 0.049 0.000 0.996 50 V HN 0.744 nan 8.190 nan 0.000 0.425 51 E N 4.437 124.606 120.200 -0.052 0.000 2.167 51 E HA 0.580 4.929 4.350 -0.002 0.000 0.284 51 E C -1.353 175.151 176.600 -0.159 0.000 1.016 51 E CA -0.390 55.940 56.400 -0.117 0.000 0.817 51 E CB 0.965 30.627 29.700 -0.062 0.000 1.080 51 E HN 0.571 nan 8.360 nan 0.000 0.397 52 L N 2.931 123.938 121.223 -0.360 0.000 2.313 52 L HA 0.387 4.726 4.340 -0.002 0.000 0.268 52 L C 0.116 176.868 176.870 -0.197 0.000 1.010 52 L CA -1.229 53.413 54.840 -0.331 0.000 0.814 52 L CB 1.747 43.464 42.059 -0.570 0.000 1.304 52 L HN 0.478 nan 8.230 nan 0.000 0.441 53 Q N 0.300 120.106 119.800 0.010 0.000 2.222 53 Q HA 0.230 4.569 4.340 -0.002 0.000 0.252 53 Q C 0.806 176.972 176.000 0.277 0.000 0.926 53 Q CA -0.353 55.527 55.803 0.129 0.000 0.899 53 Q CB 2.334 31.140 28.738 0.114 0.000 1.250 53 Q HN 0.440 nan 8.270 nan 0.000 0.441 54 V N 1.039 121.127 119.914 0.288 0.000 2.358 54 V HA -0.172 3.947 4.120 -0.002 0.000 0.246 54 V C 0.849 177.050 176.094 0.178 0.000 1.047 54 V CA 1.711 64.162 62.300 0.252 0.000 1.035 54 V CB -0.086 31.818 31.823 0.134 0.000 0.658 54 V HN 0.731 nan 8.190 nan 0.000 0.452 55 E N 0.732 121.018 120.200 0.143 0.000 2.191 55 E HA 0.230 4.579 4.350 -0.002 0.000 0.263 55 E C -0.861 175.813 176.600 0.125 0.000 0.881 55 E CA -0.607 55.865 56.400 0.121 0.000 0.757 55 E CB 0.798 30.551 29.700 0.088 0.000 1.147 55 E HN 0.332 nan 8.360 nan 0.000 0.414 56 N N 3.308 122.094 118.700 0.143 0.000 2.458 56 N HA 0.144 4.883 4.740 -0.002 0.000 0.270 56 N C -0.419 175.167 175.510 0.127 0.000 1.102 56 N CA 0.110 53.251 53.050 0.152 0.000 0.967 56 N CB 1.592 40.201 38.487 0.203 0.000 1.078 56 N HN 0.587 nan 8.380 nan 0.000 0.471 57 T N -1.212 113.405 114.554 0.106 0.000 2.940 57 T HA 0.904 5.253 4.350 -0.002 0.000 0.288 57 T C 0.407 175.144 174.700 0.061 0.000 1.045 57 T CA -0.799 61.344 62.100 0.071 0.000 1.018 57 T CB 2.242 71.140 68.868 0.051 0.000 1.151 57 T HN 0.575 nan 8.240 nan 0.000 0.529 58 G N -0.217 108.587 108.800 0.006 0.000 2.356 58 G HA2 0.300 4.259 3.960 -0.002 0.000 0.300 58 G HA3 0.300 4.259 3.960 -0.002 0.000 0.300 58 G C -0.045 174.765 174.900 -0.150 0.000 1.331 58 G CA -0.315 44.754 45.100 -0.051 0.000 0.905 58 G HN 1.452 nan 8.290 nan 0.000 0.587 59 I N -2.038 118.348 120.570 -0.306 0.000 4.018 59 I HA 0.464 4.633 4.170 -0.002 0.000 0.337 59 I C 0.207 176.008 176.117 -0.526 0.000 1.327 59 I CA -0.303 60.765 61.300 -0.387 0.000 1.100 59 I CB -0.099 37.651 38.000 -0.418 0.000 1.025 59 I HN 0.340 nan 8.210 nan 0.000 0.396 60 H N 1.793 120.615 119.070 -0.413 0.000 2.529 60 H HA 0.649 5.204 4.556 -0.002 0.000 0.348 60 H C -0.802 174.131 175.328 -0.660 0.000 1.152 60 H CA -0.676 54.977 56.048 -0.658 0.000 1.202 60 H CB 1.540 30.546 29.762 -1.260 0.000 1.562 60 H HN 0.313 nan 8.280 nan 0.000 0.515 61 E N 1.357 121.465 120.200 -0.154 0.000 2.393 61 E HA 0.539 4.888 4.350 -0.002 0.000 0.273 61 E C -1.785 175.082 176.600 0.446 0.000 0.918 61 E CA -1.083 55.398 56.400 0.136 0.000 0.773 61 E CB 2.126 31.880 29.700 0.091 0.000 1.275 61 E HN 0.396 nan 8.360 nan 0.000 0.451 62 F N 0.623 120.797 119.950 0.374 0.000 2.588 62 F HA 0.544 5.070 4.527 -0.002 0.000 0.314 62 F C -1.496 174.470 175.800 0.275 0.000 1.134 62 F CA -0.593 57.606 58.000 0.332 0.000 0.961 62 F CB 1.791 41.015 39.000 0.374 0.000 1.239 62 F HN 0.490 nan 8.300 nan 0.000 0.448 63 K N 3.460 123.510 120.400 -0.583 0.000 2.203 63 K HA 0.781 5.100 4.320 -0.002 0.000 0.251 63 K C -0.914 175.233 176.600 -0.755 0.000 0.944 63 K CA -0.935 55.066 56.287 -0.477 0.000 0.829 63 K CB 2.280 34.620 32.500 -0.266 0.000 1.125 63 K HN 0.717 nan 8.250 nan 0.000 0.430 64 T N 0.230 114.541 114.554 -0.405 0.000 2.733 64 T HA 0.166 4.515 4.350 -0.002 0.000 0.312 64 T C -1.930 172.677 174.700 -0.154 0.000 1.590 64 T CA -0.825 61.116 62.100 -0.266 0.000 1.005 64 T CB 1.280 70.083 68.868 -0.108 0.000 1.528 64 T HN 0.444 nan 8.240 nan 0.000 0.496 65 D N 1.401 121.745 120.400 -0.094 0.000 2.175 65 D HA 0.604 5.243 4.640 -0.002 0.000 0.248 65 D C -0.033 176.205 176.300 -0.103 0.000 1.047 65 D CA -0.022 53.930 54.000 -0.080 0.000 0.883 65 D CB 1.779 42.556 40.800 -0.039 0.000 1.180 65 D HN 0.578 nan 8.370 nan 0.000 0.438 66 V N -1.339 118.469 119.914 -0.176 0.000 3.130 66 V HA 0.520 4.639 4.120 -0.002 0.000 0.310 66 V C -0.071 175.958 176.094 -0.109 0.000 1.158 66 V CA -1.185 60.968 62.300 -0.244 0.000 1.029 66 V CB 1.399 32.729 31.823 -0.823 0.000 1.057 66 V HN 0.378 nan 8.190 nan 0.000 0.436 67 L N 1.957 123.198 121.223 0.031 0.000 2.490 67 L HA 0.443 4.782 4.340 -0.002 0.000 0.274 67 L C 1.133 178.083 176.870 0.133 0.000 1.201 67 L CA 0.707 55.605 54.840 0.097 0.000 0.869 67 L CB 0.994 43.135 42.059 0.137 0.000 1.123 67 L HN 1.027 nan 8.230 nan 0.000 0.484 68 A N 2.286 125.149 122.820 0.073 0.000 2.551 68 A HA 0.542 4.861 4.320 -0.002 0.000 0.252 68 A C 0.765 178.351 177.584 0.003 0.000 1.199 68 A CA 0.305 52.369 52.037 0.045 0.000 0.972 68 A CB 0.192 19.186 19.000 -0.009 0.000 1.153 68 A HN 1.021 nan 8.150 nan 0.000 0.559 69 G N 0.383 109.190 108.800 0.011 0.000 2.828 69 G HA2 -0.109 3.850 3.960 -0.002 0.000 0.463 69 G HA3 -0.109 3.850 3.960 -0.002 0.000 0.463 69 G C -3.031 171.822 174.900 -0.077 0.000 1.394 69 G CA -0.368 44.722 45.100 -0.016 0.000 0.862 69 G HN 0.361 nan 8.290 nan 0.000 0.540 70 P HA 0.475 nan 4.420 nan 0.000 0.276 70 P C -0.330 176.716 177.300 -0.424 0.000 1.230 70 P CA -0.028 62.878 63.100 -0.323 0.000 0.776 70 P CB 0.879 32.350 31.700 -0.381 0.000 0.888 71 L N 3.594 124.526 121.223 -0.486 0.000 2.349 71 L HA 0.358 4.697 4.340 -0.002 0.000 0.278 71 L C 0.591 177.187 176.870 -0.456 0.000 0.996 71 L CA -0.551 54.021 54.840 -0.448 0.000 0.825 71 L CB 1.750 43.496 42.059 -0.522 0.000 1.243 71 L HN 0.442 nan 8.230 nan 0.000 0.412 72 W N 1.275 122.555 121.300 -0.033 0.000 3.003 72 W HA 0.097 4.757 4.660 -0.001 0.000 0.257 72 W C 0.937 177.511 176.519 0.091 0.000 1.308 72 W CA -0.069 57.305 57.345 0.047 0.000 1.529 72 W CB 0.334 29.804 29.460 0.017 0.000 1.115 72 W HN 0.562 nan 8.180 nan 0.000 0.659 73 S N -2.008 113.795 115.700 0.172 0.000 2.587 73 S HA 0.170 4.639 4.470 -0.002 0.000 0.269 73 S C 0.226 174.866 174.600 0.067 0.000 1.154 73 S CA -0.754 57.569 58.200 0.205 0.000 0.824 73 S CB 1.145 64.441 63.200 0.159 0.000 1.118 73 S HN 0.138 nan 8.310 nan 0.000 0.462 74 N N 0.559 119.432 118.700 0.289 0.000 2.166 74 N HA -0.215 4.524 4.740 -0.002 0.000 0.186 74 N C 1.200 176.725 175.510 0.025 0.000 1.019 74 N CA 1.927 55.144 53.050 0.277 0.000 0.856 74 N CB -0.295 38.420 38.487 0.379 0.000 0.993 74 N HN 0.773 nan 8.380 nan 0.000 0.426 75 D N 0.640 121.064 120.400 0.040 0.000 2.104 75 D HA -0.212 4.427 4.640 -0.002 0.000 0.194 75 D C 1.924 178.184 176.300 -0.067 0.000 0.994 75 D CA 1.293 55.296 54.000 0.005 0.000 0.830 75 D CB -0.113 40.700 40.800 0.023 0.000 0.959 75 D HN 0.357 nan 8.370 nan 0.000 0.452 76 E N -0.625 119.513 120.200 -0.103 0.000 2.072 76 E HA -0.181 4.169 4.350 -0.002 0.000 0.191 76 E C 2.008 178.423 176.600 -0.308 0.000 0.985 76 E CA 0.921 57.229 56.400 -0.152 0.000 0.801 76 E CB -0.197 29.447 29.700 -0.093 0.000 0.750 76 E HN 0.352 nan 8.360 nan 0.000 0.452 77 A N 0.984 123.482 122.820 -0.536 0.000 1.877 77 A HA -0.206 4.113 4.320 -0.002 0.000 0.216 77 A C 2.145 179.437 177.584 -0.487 0.000 1.186 77 A CA 1.376 52.932 52.037 -0.801 0.000 0.620 77 A CB -0.443 17.483 19.000 -1.790 0.000 0.822 77 A HN 0.250 nan 8.150 nan 0.000 0.443 78 Q N -0.035 119.645 119.800 -0.201 0.000 2.167 78 Q HA -0.109 4.230 4.340 -0.002 0.000 0.202 78 Q C 1.868 177.838 176.000 -0.049 0.000 0.970 78 Q CA 1.555 57.379 55.803 0.035 0.000 0.855 78 Q CB -0.311 28.490 28.738 0.105 0.000 0.911 78 Q HN 0.726 nan 8.270 nan 0.000 0.438 79 K N -0.008 120.325 120.400 -0.111 0.000 2.116 79 K HA 0.049 4.368 4.320 -0.002 0.000 0.203 79 K C 2.103 178.617 176.600 -0.142 0.000 1.052 79 K CA 0.609 56.841 56.287 -0.092 0.000 0.952 79 K CB 0.163 32.619 32.500 -0.074 0.000 0.729 79 K HN 0.129 nan 8.250 nan 0.000 0.446 80 L N -0.519 120.565 121.223 -0.231 0.000 2.354 80 L HA 0.082 4.421 4.340 -0.002 0.000 0.212 80 L C 2.393 179.038 176.870 -0.374 0.000 1.091 80 L CA 0.385 55.076 54.840 -0.248 0.000 0.828 80 L CB -0.510 41.410 42.059 -0.232 0.000 0.973 80 L HN 0.264 nan 8.230 nan 0.000 0.461 81 G N 1.809 110.191 108.800 -0.696 0.000 2.574 81 G HA2 -0.255 3.704 3.960 -0.002 0.000 0.220 81 G HA3 -0.255 3.704 3.960 -0.002 0.000 0.220 81 G C -0.739 173.776 174.900 -0.642 0.000 1.173 81 G CA 1.062 45.382 45.100 -1.301 0.000 0.772 81 G HN 0.303 nan 8.290 nan 0.000 0.585 82 P HA -0.063 nan 4.420 nan 0.000 0.215 82 P C 1.959 179.248 177.300 -0.017 0.000 1.153 82 P CA 1.393 64.498 63.100 0.009 0.000 0.853 82 P CB -0.038 31.696 31.700 0.055 0.000 0.788 83 Q N -1.053 118.707 119.800 -0.065 0.000 2.083 83 Q HA -0.058 4.281 4.340 -0.002 0.000 0.198 83 Q C 2.184 178.170 176.000 -0.023 0.000 0.969 83 Q CA 1.038 56.817 55.803 -0.039 0.000 0.838 83 Q CB -0.492 28.214 28.738 -0.054 0.000 0.900 83 Q HN 0.264 nan 8.270 nan 0.000 0.436 84 I N 0.604 121.139 120.570 -0.058 0.000 2.179 84 I HA -0.277 3.892 4.170 -0.002 0.000 0.242 84 I C 2.403 178.606 176.117 0.144 0.000 1.088 84 I CA 0.967 62.275 61.300 0.014 0.000 1.357 84 I CB -0.393 37.579 38.000 -0.046 0.000 1.051 84 I HN 0.169 nan 8.210 nan 0.000 0.409 85 A N 0.805 123.675 122.820 0.083 0.000 1.902 85 A HA -0.184 4.135 4.320 -0.002 0.000 0.217 85 A C 2.541 180.232 177.584 0.177 0.000 1.181 85 A CA 1.860 53.986 52.037 0.148 0.000 0.623 85 A CB -0.848 18.227 19.000 0.125 0.000 0.818 85 A HN 0.439 nan 8.150 nan 0.000 0.443 86 A N 0.364 123.254 122.820 0.118 0.000 1.978 86 A HA -0.103 4.216 4.320 -0.002 0.000 0.220 86 A C 2.402 180.061 177.584 0.125 0.000 1.170 86 A CA 2.206 54.310 52.037 0.112 0.000 0.636 86 A CB -0.953 18.084 19.000 0.061 0.000 0.810 86 A HN 1.108 nan 8.150 nan 0.000 0.448 87 S N -2.139 113.618 115.700 0.094 0.000 2.507 87 S HA -0.076 4.393 4.470 -0.002 0.000 0.235 87 S C 1.143 175.714 174.600 -0.048 0.000 0.988 87 S CA 0.975 59.175 58.200 -0.000 0.000 0.944 87 S CB -0.599 62.545 63.200 -0.093 0.000 0.762 87 S HN 0.597 nan 8.310 nan 0.000 0.526 88 Y N 1.162 121.525 120.300 0.104 0.000 2.531 88 Y HA 0.443 4.992 4.550 -0.001 0.000 0.249 88 Y C 1.588 177.622 175.900 0.223 0.000 1.168 88 Y CA -0.318 57.877 58.100 0.159 0.000 1.226 88 Y CB 0.402 38.920 38.460 0.096 0.000 1.177 88 Y HN 0.349 nan 8.280 nan 0.000 0.527 89 G N 0.837 109.824 108.800 0.311 0.000 2.246 89 G HA2 -0.029 3.930 3.960 -0.002 0.000 0.273 89 G HA3 -0.029 3.930 3.960 -0.002 0.000 0.273 89 G C 0.017 175.086 174.900 0.281 0.000 1.055 89 G CA 0.284 45.567 45.100 0.305 0.000 0.851 89 G HN 0.686 nan 8.290 nan 0.000 0.500 90 A N -1.206 121.715 122.820 0.169 0.000 2.567 90 A HA 0.895 5.214 4.320 -0.002 0.000 0.289 90 A C -0.356 177.264 177.584 0.061 0.000 1.177 90 A CA -0.521 51.544 52.037 0.048 0.000 0.694 90 A CB 1.085 19.910 19.000 -0.292 0.000 1.292 90 A HN 0.356 nan 8.150 nan 0.000 0.425 91 E N -0.348 119.873 120.200 0.035 0.000 2.222 91 E HA 0.488 4.837 4.350 -0.002 0.000 0.272 91 E C -1.494 175.166 176.600 0.100 0.000 0.982 91 E CA -0.490 55.954 56.400 0.074 0.000 0.842 91 E CB 1.887 31.618 29.700 0.051 0.000 1.144 91 E HN 0.460 nan 8.360 nan 0.000 0.397 92 F N 1.678 121.612 119.950 -0.027 0.000 2.394 92 F HA 0.160 4.686 4.527 -0.001 0.000 0.340 92 F C 1.188 176.975 175.800 -0.022 0.000 1.105 92 F CA -0.493 57.488 58.000 -0.032 0.000 1.124 92 F CB 1.167 40.155 39.000 -0.020 0.000 1.145 92 F HN 0.413 nan 8.300 nan 0.000 0.505 93 T N 0.999 115.240 114.554 -0.522 0.000 3.065 93 T HA 0.318 4.667 4.350 -0.002 0.000 0.252 93 T C 1.367 175.618 174.700 -0.749 0.000 1.099 93 T CA 0.508 62.313 62.100 -0.492 0.000 1.063 93 T CB -0.277 68.425 68.868 -0.275 0.000 0.948 93 T HN 1.512 nan 8.240 nan 0.000 0.506 94 G N 0.601 108.388 108.800 -1.688 0.000 2.195 94 G HA2 -0.175 3.784 3.960 -0.002 0.000 0.224 94 G HA3 -0.175 3.784 3.960 -0.002 0.000 0.224 94 G C -0.104 174.598 174.900 -0.329 0.000 0.990 94 G CA -0.245 44.212 45.100 -1.071 0.000 0.639 94 G HN 0.608 nan 8.290 nan 0.000 0.514 95 Q N 0.117 119.774 119.800 -0.240 0.000 2.256 95 Q HA 0.633 4.972 4.340 -0.002 0.000 0.257 95 Q C 0.071 176.274 176.000 0.338 0.000 0.936 95 Q CA -0.354 55.489 55.803 0.067 0.000 0.903 95 Q CB 1.953 30.664 28.738 -0.045 0.000 1.263 95 Q HN 0.794 nan 8.270 nan 0.000 0.440 96 W N 1.605 122.955 121.300 0.082 0.000 3.005 96 W HA 0.693 5.352 4.660 -0.001 0.000 0.343 96 W C -1.418 175.115 176.519 0.023 0.000 1.243 96 W CA -0.917 56.479 57.345 0.086 0.000 1.186 96 W CB 1.028 30.572 29.460 0.139 0.000 1.453 96 W HN 0.694 nan 8.180 nan 0.000 0.575 97 R N 0.146 120.598 120.500 -0.081 0.000 2.664 97 R HA 0.534 4.873 4.340 -0.002 0.000 0.266 97 R C -1.533 174.714 176.300 -0.089 0.000 1.046 97 R CA -0.720 55.144 56.100 -0.394 0.000 0.885 97 R CB 1.531 31.662 30.300 -0.282 0.000 1.254 97 R HN 0.293 nan 8.270 nan 0.000 0.465 98 T N 2.657 117.116 114.554 -0.158 0.000 2.771 98 T HA 0.285 4.634 4.350 -0.002 0.000 0.291 98 T C 1.279 175.946 174.700 -0.055 0.000 0.954 98 T CA -0.632 61.449 62.100 -0.033 0.000 1.045 98 T CB 0.661 69.506 68.868 -0.038 0.000 0.917 98 T HN 0.624 nan 8.240 nan 0.000 0.484 99 I N 0.928 121.480 120.570 -0.030 0.000 3.708 99 I HA 0.405 4.574 4.170 -0.002 0.000 0.302 99 I C -0.164 175.938 176.117 -0.026 0.000 1.255 99 I CA 0.074 61.357 61.300 -0.029 0.000 1.362 99 I CB 0.537 38.529 38.000 -0.014 0.000 1.100 99 I HN 0.199 nan 8.210 nan 0.000 0.434 100 V N 2.839 122.735 119.914 -0.030 0.000 2.532 100 V HA 0.252 4.371 4.120 -0.002 0.000 0.294 100 V C -0.479 175.592 176.094 -0.040 0.000 1.036 100 V CA -0.691 61.595 62.300 -0.024 0.000 0.876 100 V CB 1.534 33.349 31.823 -0.013 0.000 1.012 100 V HN 0.226 nan 8.190 nan 0.000 0.432 101 E N 3.071 123.256 120.200 -0.025 0.000 2.558 101 E HA 0.253 4.602 4.350 -0.002 0.000 0.255 101 E C 1.357 177.951 176.600 -0.010 0.000 0.968 101 E CA 1.000 57.388 56.400 -0.021 0.000 0.939 101 E CB 0.457 30.167 29.700 0.017 0.000 0.921 101 E HN 1.125 nan 8.360 nan 0.000 0.477 102 G N 2.024 110.782 108.800 -0.071 0.000 2.196 102 G HA2 -0.324 3.635 3.960 -0.002 0.000 0.268 102 G HA3 -0.324 3.635 3.960 -0.002 0.000 0.268 102 G C 0.726 175.616 174.900 -0.017 0.000 0.975 102 G CA 0.528 45.639 45.100 0.018 0.000 0.648 102 G HN 0.438 nan 8.290 nan 0.000 0.538 103 V N -1.544 118.318 119.914 -0.086 0.000 3.058 103 V HA 0.685 4.804 4.120 -0.002 0.000 0.233 103 V C 0.383 176.431 176.094 -0.076 0.000 1.255 103 V CA 1.799 64.075 62.300 -0.041 0.000 1.267 103 V CB 0.762 32.584 31.823 -0.002 0.000 1.049 103 V HN 0.473 nan 8.190 nan 0.000 0.486 104 M N -0.477 119.067 119.600 -0.092 0.000 2.413 104 M HA 0.656 5.135 4.480 -0.002 0.000 0.287 104 M C -1.415 174.852 176.300 -0.055 0.000 1.186 104 M CA 0.022 55.281 55.300 -0.067 0.000 0.927 104 M CB 2.322 34.910 32.600 -0.020 0.000 1.715 104 M HN 0.053 nan 8.290 nan 0.000 0.478 105 S N 1.444 117.128 115.700 -0.025 0.000 2.667 105 S HA 0.982 5.451 4.470 -0.002 0.000 0.292 105 S C -1.315 173.328 174.600 0.073 0.000 1.126 105 S CA -0.569 57.667 58.200 0.060 0.000 0.881 105 S CB 2.034 65.326 63.200 0.154 0.000 1.132 105 S HN 1.116 nan 8.310 nan 0.000 0.492 106 V N -0.574 119.414 119.914 0.124 0.000 3.040 106 V HA 0.849 4.968 4.120 -0.002 0.000 0.312 106 V C -0.918 175.276 176.094 0.166 0.000 1.115 106 V CA -1.111 61.242 62.300 0.089 0.000 0.998 106 V CB 1.275 33.122 31.823 0.040 0.000 1.042 106 V HN 0.963 nan 8.190 nan 0.000 0.433 107 I N -0.417 120.217 120.570 0.108 0.000 2.740 107 I HA 0.654 4.823 4.170 -0.002 0.000 0.303 107 I C -0.458 175.731 176.117 0.120 0.000 1.044 107 I CA -0.810 60.616 61.300 0.210 0.000 1.064 107 I CB 2.087 40.177 38.000 0.150 0.000 1.249 107 I HN 0.877 nan 8.210 nan 0.000 0.433 108 Q N 5.205 125.110 119.800 0.175 0.000 2.274 108 Q HA 0.586 4.925 4.340 -0.002 0.000 0.256 108 Q C -0.940 175.072 176.000 0.021 0.000 0.927 108 Q CA -0.678 55.138 55.803 0.022 0.000 0.939 108 Q CB 1.460 30.181 28.738 -0.029 0.000 1.201 108 Q HN 0.761 nan 8.270 nan 0.000 0.426 109 I N -0.083 120.423 120.570 -0.107 0.000 2.910 109 I HA 0.654 4.823 4.170 -0.002 0.000 0.310 109 I C -1.117 174.873 176.117 -0.213 0.000 1.043 109 I CA -1.136 60.073 61.300 -0.152 0.000 1.053 109 I CB 2.038 39.853 38.000 -0.308 0.000 1.242 109 I HN 0.443 nan 8.210 nan 0.000 0.452 110 K N 3.038 123.332 120.400 -0.177 0.000 2.507 110 K HA 0.434 4.753 4.320 -0.002 0.000 0.252 110 K C -2.040 174.555 176.600 -0.008 0.000 0.943 110 K CA -0.538 55.701 56.287 -0.080 0.000 0.808 110 K CB 1.443 33.928 32.500 -0.025 0.000 1.142 110 K HN 0.682 nan 8.250 nan 0.000 0.426 111 Y N 1.297 121.710 120.300 0.188 0.000 2.310 111 Y HA 0.270 4.819 4.550 -0.002 0.000 0.326 111 Y C 0.372 176.457 175.900 0.308 0.000 1.151 111 Y CA -0.316 57.945 58.100 0.268 0.000 1.195 111 Y CB 2.173 40.841 38.460 0.346 0.000 1.210 111 Y HN 0.406 nan 8.280 nan 0.000 0.483 112 T N 5.195 120.015 114.554 0.443 0.000 2.824 112 T HA 0.599 4.948 4.350 -0.002 0.000 0.282 112 T C -1.099 173.814 174.700 0.356 0.000 0.993 112 T CA -0.590 61.676 62.100 0.276 0.000 0.967 112 T CB 0.375 69.331 68.868 0.147 0.000 0.960 112 T HN 0.500 nan 8.240 nan 0.000 0.441 113 F N 0.000 120.053 119.950 0.172 0.000 2.286 113 F HA 0.000 4.526 4.527 -0.002 0.000 0.279 113 F CA 0.000 58.090 58.000 0.151 0.000 1.383 113 F CB 0.000 39.062 39.000 0.104 0.000 1.145 113 F HN 0.000 nan 8.300 nan 0.000 0.574