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 3i9c_1_5 DATA FIRST_RESID 2 DATA SEQUENCE AKHPVPKKKT SKARRDARRS HHALTPPTLV PCPECKAMKP PHTVCPECGY DATA SEQUENCE YAGRKVLEV 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.584 177.584 0.000 0.000 1.274 2 A CA 0.000 52.039 52.037 0.004 0.000 0.836 2 A CB 0.000 18.999 19.000 -0.001 0.000 0.831 3 K N -1.159 119.249 120.400 0.014 0.000 2.318 3 K HA 0.679 4.999 4.320 -0.000 0.000 0.265 3 K C 0.912 177.554 176.600 0.070 0.000 1.055 3 K CA -0.472 55.823 56.287 0.013 0.000 0.896 3 K CB 0.606 33.115 32.500 0.015 0.000 1.479 3 K HN 0.323 nan 8.250 nan 0.000 0.449 4 H N 0.026 119.097 119.070 0.002 0.000 1.463 4 H HA -0.214 4.342 4.556 -0.000 0.000 0.091 4 H C -1.572 173.758 175.328 0.003 0.000 0.928 4 H CA 1.401 57.450 56.048 0.002 0.000 1.900 4 H CB -0.806 28.957 29.762 0.002 0.000 2.257 4 H HN 0.421 nan 8.280 nan 0.000 0.962 5 P HA -0.026 nan 4.420 nan 0.000 0.257 5 P C -1.349 175.982 177.300 0.051 0.000 1.162 5 P CA 0.680 63.808 63.100 0.046 0.000 0.762 5 P CB 0.367 32.068 31.700 0.002 0.000 0.753 6 V N 5.964 125.904 119.914 0.043 0.000 2.876 6 V HA 0.405 4.525 4.120 -0.000 0.000 0.312 6 V C -2.084 174.024 176.094 0.022 0.000 1.085 6 V CA -1.665 60.654 62.300 0.033 0.000 0.945 6 V CB 1.897 33.741 31.823 0.035 0.000 1.017 6 V HN 0.463 nan 8.190 nan 0.000 0.428 7 P HA 0.252 nan 4.420 nan 0.000 0.267 7 P C 0.235 177.542 177.300 0.012 0.000 1.205 7 P CA -0.245 62.863 63.100 0.013 0.000 0.765 7 P CB 0.758 32.465 31.700 0.012 0.000 0.828 8 K N 2.504 122.910 120.400 0.010 0.000 2.007 8 K HA 0.031 4.351 4.320 -0.000 0.000 0.206 8 K C 0.383 176.987 176.600 0.007 0.000 1.047 8 K CA 1.542 57.834 56.287 0.009 0.000 0.937 8 K CB 0.256 32.761 32.500 0.008 0.000 0.718 8 K HN 0.227 nan 8.250 nan 0.000 0.438 9 K N 0.940 121.344 120.400 0.006 0.000 2.375 9 K HA 0.160 4.480 4.320 -0.000 0.000 0.249 9 K C -1.206 175.396 176.600 0.004 0.000 0.942 9 K CA -0.782 55.508 56.287 0.004 0.000 0.806 9 K CB 1.761 34.263 32.500 0.003 0.000 1.227 9 K HN 0.003 nan 8.250 nan 0.000 0.430 10 K N 2.127 122.529 120.400 0.003 0.000 2.430 10 K HA -0.014 4.306 4.320 -0.000 0.000 0.280 10 K C -0.188 176.412 176.600 0.000 0.000 1.063 10 K CA 0.248 56.536 56.287 0.002 0.000 1.071 10 K CB 0.072 32.573 32.500 0.001 0.000 0.899 10 K HN 0.633 nan 8.250 nan 0.000 0.473 11 T N 2.024 116.578 114.554 0.000 0.000 2.793 11 T HA 0.014 4.364 4.350 -0.000 0.000 0.289 11 T C 0.511 175.207 174.700 -0.006 0.000 0.956 11 T CA -0.380 61.718 62.100 -0.002 0.000 1.177 11 T CB 0.357 69.224 68.868 -0.002 0.000 0.897 11 T HN 0.592 nan 8.240 nan 0.000 0.533 12 S N 3.354 119.050 115.700 -0.007 0.000 2.569 12 S HA 0.109 4.579 4.470 -0.000 0.000 0.274 12 S C 1.249 175.841 174.600 -0.013 0.000 1.353 12 S CA -0.669 57.525 58.200 -0.009 0.000 1.023 12 S CB 0.496 63.691 63.200 -0.009 0.000 0.876 12 S HN 0.786 nan 8.310 nan 0.000 0.540 13 K N 1.214 121.606 120.400 -0.014 0.000 2.286 13 K HA -0.144 4.176 4.320 -0.000 0.000 0.203 13 K C 2.241 178.827 176.600 -0.024 0.000 1.045 13 K CA 1.262 57.538 56.287 -0.018 0.000 0.935 13 K CB -0.687 31.803 32.500 -0.016 0.000 0.737 13 K HN 0.680 nan 8.250 nan 0.000 0.460 14 A N 1.742 124.550 122.820 -0.021 0.000 1.824 14 A HA -0.169 4.151 4.320 -0.000 0.000 0.215 14 A C 2.096 179.662 177.584 -0.030 0.000 1.209 14 A CA 1.387 53.410 52.037 -0.024 0.000 0.614 14 A CB -0.587 18.402 19.000 -0.018 0.000 0.852 14 A HN 0.190 nan 8.150 nan 0.000 0.447 15 R N -0.409 120.076 120.500 -0.025 0.000 2.193 15 R HA -0.147 4.193 4.340 -0.000 0.000 0.229 15 R C 2.404 178.681 176.300 -0.039 0.000 1.110 15 R CA 1.413 57.496 56.100 -0.028 0.000 0.988 15 R CB -0.236 30.054 30.300 -0.016 0.000 0.871 15 R HN 0.625 nan 8.270 nan 0.000 0.458 16 R N 0.559 121.037 120.500 -0.038 0.000 2.083 16 R HA -0.169 4.171 4.340 -0.000 0.000 0.237 16 R C 1.016 177.266 176.300 -0.082 0.000 1.137 16 R CA 2.406 58.477 56.100 -0.049 0.000 0.951 16 R CB -0.186 30.092 30.300 -0.037 0.000 0.851 16 R HN 0.166 nan 8.270 nan 0.000 0.434 17 D N 0.437 120.791 120.400 -0.077 0.000 2.123 17 D HA -0.046 4.594 4.640 -0.000 0.000 0.200 17 D C 1.748 177.975 176.300 -0.122 0.000 0.976 17 D CA 1.535 55.475 54.000 -0.100 0.000 0.831 17 D CB -0.304 40.454 40.800 -0.071 0.000 0.974 17 D HN 0.428 nan 8.370 nan 0.000 0.469 18 A N 0.396 123.160 122.820 -0.093 0.000 2.194 18 A HA -0.199 4.121 4.320 -0.000 0.000 0.220 18 A C 2.025 179.539 177.584 -0.117 0.000 1.162 18 A CA 1.151 53.131 52.037 -0.095 0.000 0.674 18 A CB -0.555 18.409 19.000 -0.060 0.000 0.789 18 A HN 0.102 nan 8.150 nan 0.000 0.470 19 R N -1.364 119.057 120.500 -0.132 0.000 2.290 19 R HA 0.135 4.474 4.340 -0.000 0.000 0.197 19 R C 1.480 177.604 176.300 -0.293 0.000 0.913 19 R CA 0.231 56.257 56.100 -0.124 0.000 1.040 19 R CB 0.040 30.293 30.300 -0.080 0.000 0.992 19 R HN 0.366 nan 8.270 nan 0.000 0.500 20 R N -0.192 120.065 120.500 -0.404 0.000 2.317 20 R HA 0.044 4.384 4.340 -0.000 0.000 0.208 20 R C 1.989 178.159 176.300 -0.218 0.000 0.914 20 R CA 0.771 56.516 56.100 -0.592 0.000 1.060 20 R CB 0.315 30.363 30.300 -0.419 0.000 1.015 20 R HN 0.217 nan 8.270 nan 0.000 0.498 21 S N 0.013 115.568 115.700 -0.241 0.000 2.392 21 S HA -0.232 4.238 4.470 -0.000 0.000 0.232 21 S C 1.354 175.834 174.600 -0.200 0.000 1.041 21 S CA 1.312 59.352 58.200 -0.267 0.000 1.026 21 S CB -0.402 62.537 63.200 -0.435 0.000 0.845 21 S HN 0.407 nan 8.310 nan 0.000 0.465 22 H N -0.242 118.898 119.070 0.118 0.000 2.563 22 H HA 0.203 4.759 4.556 -0.000 0.000 0.264 22 H C 1.471 176.913 175.328 0.190 0.000 0.957 22 H CA 0.885 57.016 56.048 0.137 0.000 1.173 22 H CB -0.428 29.407 29.762 0.122 0.000 1.420 22 H HN 0.526 nan 8.280 nan 0.000 0.551 23 H N 1.239 120.357 119.070 0.080 0.000 2.521 23 H HA 0.152 4.708 4.556 -0.000 0.000 0.286 23 H C 1.168 176.517 175.328 0.035 0.000 1.034 23 H CA 0.340 56.418 56.048 0.051 0.000 1.278 23 H CB -0.320 29.458 29.762 0.027 0.000 1.386 23 H HN 0.301 nan 8.280 nan 0.000 0.567 24 A N 0.733 123.644 122.820 0.152 0.000 2.583 24 A HA 0.104 4.424 4.320 -0.000 0.000 0.231 24 A C 0.472 178.095 177.584 0.065 0.000 1.065 24 A CA 0.083 52.172 52.037 0.085 0.000 0.760 24 A CB -0.067 18.970 19.000 0.062 0.000 1.001 24 A HN 0.387 nan 8.150 nan 0.000 0.509 25 L N 0.371 121.621 121.223 0.046 0.000 2.358 25 L HA 0.613 4.953 4.340 -0.000 0.000 0.268 25 L C 0.563 177.450 176.870 0.028 0.000 1.032 25 L CA -0.403 54.456 54.840 0.032 0.000 0.805 25 L CB 2.056 44.130 42.059 0.026 0.000 1.253 25 L HN 0.813 nan 8.230 nan 0.000 0.452 26 T N 2.731 117.298 114.554 0.022 0.000 2.824 26 T HA 0.515 4.865 4.350 -0.000 0.000 0.282 26 T C -2.410 172.300 174.700 0.017 0.000 0.993 26 T CA -1.415 60.698 62.100 0.021 0.000 0.967 26 T CB 1.332 70.212 68.868 0.021 0.000 0.960 26 T HN 0.432 nan 8.240 nan 0.000 0.441 27 P HA 0.219 nan 4.420 nan 0.000 0.262 27 P C -2.454 174.854 177.300 0.015 0.000 1.182 27 P CA -0.917 62.191 63.100 0.014 0.000 0.761 27 P CB -0.226 31.482 31.700 0.013 0.000 0.795 28 P HA 0.014 nan 4.420 nan 0.000 0.265 28 P C 0.074 177.383 177.300 0.016 0.000 1.193 28 P CA 0.101 63.210 63.100 0.015 0.000 0.765 28 P CB 0.258 31.966 31.700 0.014 0.000 0.823 29 T N 1.697 116.263 114.554 0.020 0.000 2.832 29 T HA 0.557 4.907 4.350 -0.000 0.000 0.296 29 T C 0.002 174.713 174.700 0.019 0.000 0.968 29 T CA -0.577 61.535 62.100 0.020 0.000 1.107 29 T CB 0.254 69.138 68.868 0.027 0.000 0.916 29 T HN 0.299 nan 8.240 nan 0.000 0.517 30 L N 2.812 124.043 121.223 0.012 0.000 2.424 30 L HA 0.795 5.135 4.340 -0.000 0.000 0.258 30 L C -0.566 176.303 176.870 -0.001 0.000 0.995 30 L CA -1.540 53.304 54.840 0.007 0.000 0.821 30 L CB 2.515 44.577 42.059 0.006 0.000 1.383 30 L HN 0.761 nan 8.230 nan 0.000 0.410 31 V N -1.092 118.817 119.914 -0.009 0.000 2.962 31 V HA 0.671 4.791 4.120 -0.000 0.000 0.313 31 V C -2.819 173.263 176.094 -0.019 0.000 1.099 31 V CA -2.601 59.688 62.300 -0.018 0.000 0.971 31 V CB 1.865 33.667 31.823 -0.035 0.000 1.028 31 V HN 0.495 nan 8.190 nan 0.000 0.430 32 P HA 0.257 nan 4.420 nan 0.000 0.271 32 P C -0.118 177.166 177.300 -0.027 0.000 1.220 32 P CA -0.202 62.887 63.100 -0.019 0.000 0.768 32 P CB 0.357 32.047 31.700 -0.017 0.000 0.848 33 C N 7.440 126.725 119.300 -0.024 0.000 2.517 33 C HA -0.004 4.456 4.460 -0.000 0.000 0.403 33 C C -0.059 174.909 174.990 -0.037 0.000 1.467 33 C CA -0.355 58.644 59.018 -0.031 0.000 1.542 33 C CB -0.769 26.957 27.740 -0.023 0.000 2.482 33 C HN 0.612 nan 8.230 nan 0.000 0.610 34 P HA -0.164 nan 4.420 nan 0.000 0.218 34 P C 0.931 178.214 177.300 -0.029 0.000 1.146 34 P CA 1.762 64.835 63.100 -0.045 0.000 0.813 34 P CB 0.392 32.056 31.700 -0.060 0.000 0.778 35 E N -0.981 119.201 120.200 -0.029 0.000 2.280 35 E HA 0.067 4.417 4.350 -0.000 0.000 0.197 35 E C 1.643 178.235 176.600 -0.012 0.000 0.913 35 E CA 0.218 56.609 56.400 -0.014 0.000 0.995 35 E CB -0.885 28.810 29.700 -0.009 0.000 0.991 35 E HN 0.196 nan 8.360 nan 0.000 0.484 36 C N 1.629 120.920 119.300 -0.015 0.000 2.894 36 C HA 0.139 4.599 4.460 -0.000 0.000 0.266 36 C C 2.161 177.145 174.990 -0.010 0.000 1.773 36 C CA 0.016 59.028 59.018 -0.010 0.000 1.953 36 C CB 0.269 28.004 27.740 -0.008 0.000 1.978 36 C HN 0.401 nan 8.230 nan 0.000 0.615 37 K N 0.049 120.445 120.400 -0.007 0.000 2.157 37 K HA 0.244 4.564 4.320 -0.000 0.000 0.207 37 K C 1.013 177.609 176.600 -0.006 0.000 1.030 37 K CA 0.760 57.043 56.287 -0.006 0.000 0.965 37 K CB -0.546 31.952 32.500 -0.004 0.000 0.877 37 K HN 0.735 nan 8.250 nan 0.000 0.460 38 A N 2.146 124.963 122.820 -0.005 0.000 2.644 38 A HA -0.041 4.279 4.320 -0.000 0.000 0.230 38 A C 0.389 177.971 177.584 -0.005 0.000 1.080 38 A CA 0.433 52.468 52.037 -0.003 0.000 0.773 38 A CB -0.048 18.951 19.000 -0.001 0.000 1.007 38 A HN 0.378 nan 8.150 nan 0.000 0.512 39 M N 0.528 120.127 119.600 -0.003 0.000 2.227 39 M HA 0.381 4.861 4.480 -0.000 0.000 0.316 39 M C 0.258 176.557 176.300 -0.001 0.000 1.144 39 M CA 0.431 55.729 55.300 -0.003 0.000 1.121 39 M CB 0.786 33.385 32.600 -0.001 0.000 1.440 39 M HN 0.754 nan 8.290 nan 0.000 0.473 40 K N 2.473 122.872 120.400 -0.002 0.000 2.525 40 K HA 0.465 4.785 4.320 -0.000 0.000 0.254 40 K C -2.687 173.917 176.600 0.007 0.000 0.934 40 K CA -1.459 54.830 56.287 0.004 0.000 0.802 40 K CB 2.496 34.995 32.500 -0.001 0.000 1.295 40 K HN 0.251 nan 8.250 nan 0.000 0.433 41 P HA 0.166 nan 4.420 nan 0.000 0.274 41 P C -2.557 174.766 177.300 0.039 0.000 1.291 41 P CA -1.228 61.889 63.100 0.029 0.000 0.815 41 P CB 0.143 31.863 31.700 0.034 0.000 0.897 42 P HA -0.201 nan 4.420 nan 0.000 0.267 42 P C 0.338 177.677 177.300 0.066 0.000 1.158 42 P CA 1.184 64.262 63.100 -0.036 0.000 0.756 42 P CB -0.348 31.335 31.700 -0.027 0.000 0.766 43 H N -1.520 117.598 119.070 0.080 0.000 2.839 43 H HA -0.133 4.423 4.556 -0.000 0.000 0.298 43 H C 0.628 176.016 175.328 0.100 0.000 1.224 43 H CA 1.305 57.414 56.048 0.102 0.000 1.144 43 H CB -2.134 27.667 29.762 0.065 0.000 1.372 43 H HN 0.605 nan 8.280 nan 0.000 0.408 44 T N -3.695 110.974 114.554 0.191 0.000 2.626 44 T HA 0.723 5.073 4.350 -0.000 0.000 0.279 44 T C 0.037 174.857 174.700 0.200 0.000 0.983 44 T CA -0.499 61.684 62.100 0.140 0.000 1.059 44 T CB 2.761 71.680 68.868 0.087 0.000 1.396 44 T HN -0.010 nan 8.240 nan 0.000 0.519 45 V N 0.841 120.820 119.914 0.108 0.000 2.447 45 V HA 0.471 4.591 4.120 -0.000 0.000 0.292 45 V C 0.457 176.590 176.094 0.066 0.000 1.021 45 V CA -1.268 61.106 62.300 0.122 0.000 0.850 45 V CB 0.661 32.489 31.823 0.008 0.000 1.005 45 V HN 1.270 nan 8.190 nan 0.000 0.426 46 C N 7.862 127.200 119.300 0.064 0.000 2.605 46 C HA 0.434 4.894 4.460 -0.000 0.000 0.404 46 C C -0.740 174.262 174.990 0.021 0.000 1.284 46 C CA -1.194 57.843 59.018 0.032 0.000 2.199 46 C CB 0.964 28.716 27.740 0.020 0.000 2.647 46 C HN 0.807 nan 8.230 nan 0.000 0.604 47 P HA 0.071 nan 4.420 nan 0.000 0.259 47 P C 0.098 177.402 177.300 0.005 0.000 1.480 47 P CA 0.959 64.063 63.100 0.007 0.000 0.842 47 P CB -0.311 31.392 31.700 0.005 0.000 1.513 48 E N -1.505 118.699 120.200 0.006 0.000 2.794 48 E HA 0.105 4.455 4.350 -0.000 0.000 0.203 48 E C 0.499 177.100 176.600 0.002 0.000 0.953 48 E CA -0.250 56.152 56.400 0.003 0.000 1.284 48 E CB -0.674 29.027 29.700 0.002 0.000 1.077 48 E HN 0.277 nan 8.360 nan 0.000 0.508 49 C N -1.538 117.764 119.300 0.004 0.000 3.820 49 C HA 0.923 5.383 4.460 -0.000 0.000 0.114 49 C C 1.159 176.152 174.990 0.005 0.000 2.978 49 C CA 0.338 59.356 59.018 -0.000 0.000 1.374 49 C CB 0.890 28.624 27.740 -0.010 0.000 2.883 49 C HN 0.548 nan 8.230 nan 0.000 0.467 50 G N -0.619 108.188 108.800 0.013 0.000 2.384 50 G HA2 0.395 4.355 3.960 -0.000 0.000 0.113 50 G HA3 0.395 4.355 3.960 -0.000 0.000 0.113 50 G C -1.419 173.531 174.900 0.082 0.000 1.224 50 G CA 0.496 45.625 45.100 0.048 0.000 1.126 50 G HN 0.947 nan 8.290 nan 0.000 0.461 51 Y N -1.441 118.674 120.300 -0.310 0.000 3.129 51 Y HA 0.603 5.153 4.550 -0.000 0.000 0.266 51 Y C -1.114 174.413 175.900 -0.621 0.000 2.052 51 Y CA -0.357 57.305 58.100 -0.730 0.000 1.035 51 Y CB 0.969 39.013 38.460 -0.694 0.000 2.140 51 Y HN 0.749 nan 8.280 nan 0.000 0.420 52 Y N -0.493 119.963 120.300 0.261 0.000 2.529 52 Y HA 0.745 5.295 4.550 -0.000 0.000 0.319 52 Y C -0.036 175.941 175.900 0.127 0.000 1.063 52 Y CA -0.949 57.230 58.100 0.131 0.000 1.178 52 Y CB 0.905 39.411 38.460 0.077 0.000 1.123 52 Y HN 0.690 nan 8.280 nan 0.000 0.625 53 A N -0.344 122.562 122.820 0.143 0.000 2.619 53 A HA 0.349 4.669 4.320 -0.000 0.000 0.216 53 A C 0.346 177.931 177.584 0.001 0.000 2.813 53 A CA -0.050 52.043 52.037 0.094 0.000 1.579 53 A CB -1.256 17.828 19.000 0.141 0.000 0.180 53 A HN 1.384 nan 8.150 nan 0.000 0.550 54 G N 0.609 109.386 108.800 -0.038 0.000 2.739 54 G HA2 0.554 4.514 3.960 -0.000 0.000 0.291 54 G HA3 0.554 4.514 3.960 -0.000 0.000 0.291 54 G C 0.108 174.976 174.900 -0.053 0.000 1.478 54 G CA 0.147 45.187 45.100 -0.099 0.000 1.062 54 G HN 0.737 nan 8.290 nan 0.000 0.532 55 R N 2.156 122.632 120.500 -0.039 0.000 0.717 55 R HA 0.306 4.646 4.340 -0.000 0.000 0.053 55 R C 0.516 176.807 176.300 -0.016 0.000 0.433 55 R CA 0.459 56.548 56.100 -0.019 0.000 2.142 55 R CB -0.089 30.201 30.300 -0.016 0.000 0.472 55 R HN 0.293 nan 8.270 nan 0.000 0.803 56 K N -1.715 118.676 120.400 -0.014 0.000 3.493 56 K HA -0.081 4.239 4.320 -0.000 0.000 0.295 56 K C -0.871 175.728 176.600 -0.001 0.000 1.356 56 K CA 0.899 57.182 56.287 -0.008 0.000 0.942 56 K CB -1.624 30.874 32.500 -0.004 0.000 1.365 56 K HN 0.349 nan 8.250 nan 0.000 0.472 57 V N 3.690 123.604 119.914 0.000 0.000 2.364 57 V HA 0.102 4.222 4.120 -0.000 0.000 0.252 57 V C 1.627 177.722 176.094 0.001 0.000 1.075 57 V CA 0.070 62.371 62.300 0.003 0.000 1.033 57 V CB 0.065 31.891 31.823 0.005 0.000 1.116 57 V HN 0.099 nan 8.190 nan 0.000 0.488 58 L N 4.143 125.367 121.223 0.001 0.000 2.416 58 L HA 0.285 4.625 4.340 -0.000 0.000 0.212 58 L C 0.984 177.855 176.870 0.001 0.000 1.200 58 L CA 0.053 54.893 54.840 0.001 0.000 0.841 58 L CB 0.210 42.270 42.059 0.001 0.000 1.299 58 L HN 0.797 nan 8.230 nan 0.000 0.538 59 E N -1.141 119.059 120.200 0.001 0.000 2.549 59 E HA 0.452 4.802 4.350 -0.000 0.000 0.200 59 E C -0.312 176.289 176.600 0.001 0.000 0.732 59 E CA -0.817 55.584 56.400 0.001 0.000 0.987 59 E CB 0.664 30.364 29.700 0.001 0.000 1.810 59 E HN 0.267 nan 8.360 nan 0.000 0.377 60 V N 0.000 119.915 119.914 0.001 0.000 0.000 60 V HA 0.000 4.120 4.120 -0.000 0.000 0.000 60 V CA 0.000 62.301 62.300 0.001 0.000 0.000 60 V CB 0.000 31.824 31.823 0.001 0.000 0.000 60 V HN 0.000 nan 8.190 nan 0.000 0.000