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 2zkr_1_6 DATA FIRST_RESID 2 DATA SEQUENCE VAAKKTKKSL ESINSRLQLV MKSGKYVLGY KQTLKMIRQG KAKLVILANN DATA SEQUENCE CPALRKSEIE YYAMLAKTGV HHYSGNNIEL GTACGKYYRV CTLAIIDPGD DATA SEQUENCE SDIIRSMPEQ TGE 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 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 175.836 176.094 -0.430 0.000 1.182 2 V CA 0.000 61.836 62.300 -0.774 0.000 1.235 2 V CB 0.000 31.519 31.823 -0.506 0.000 1.184 3 A N 3.988 126.630 122.820 -0.296 0.000 2.281 3 A HA 0.889 5.209 4.320 0.000 0.000 0.271 3 A C 1.208 178.868 177.584 0.128 0.000 1.196 3 A CA 0.105 52.229 52.037 0.145 0.000 0.807 3 A CB 0.173 19.392 19.000 0.365 0.000 1.138 3 A HN 2.674 nan 8.150 nan 0.000 0.506 4 A N 0.170 123.014 122.820 0.040 0.000 2.567 4 A HA 0.391 4.711 4.320 0.000 0.000 0.240 4 A C 0.548 178.329 177.584 0.329 0.000 1.053 4 A CA 0.719 52.852 52.037 0.161 0.000 0.755 4 A CB -0.534 18.631 19.000 0.275 0.000 0.978 4 A HN 0.808 nan 8.150 nan 0.000 0.507 5 K N 2.846 123.385 120.400 0.231 0.000 2.143 5 K HA 0.487 4.807 4.320 0.000 0.000 0.272 5 K C -0.564 176.142 176.600 0.178 0.000 1.001 5 K CA -0.642 55.774 56.287 0.216 0.000 0.915 5 K CB 1.315 33.890 32.500 0.125 0.000 1.047 5 K HN 0.533 nan 8.250 nan 0.000 0.458 6 K N 1.586 122.072 120.400 0.144 0.000 2.202 6 K HA 0.102 4.422 4.320 0.000 0.000 0.264 6 K C -0.079 176.545 176.600 0.041 0.000 1.010 6 K CA -0.334 55.985 56.287 0.054 0.000 0.940 6 K CB 0.946 33.457 32.500 0.018 0.000 0.983 6 K HN 0.596 nan 8.250 nan 0.000 0.475 7 T N 2.040 116.602 114.554 0.014 0.000 2.701 7 T HA 0.013 4.363 4.350 0.000 0.000 0.303 7 T C 1.436 176.142 174.700 0.011 0.000 1.030 7 T CA -0.575 61.532 62.100 0.012 0.000 1.010 7 T CB 0.519 69.387 68.868 0.001 0.000 1.007 7 T HN 0.426 nan 8.240 nan 0.000 0.532 8 K N 1.049 121.454 120.400 0.009 0.000 2.063 8 K HA -0.093 4.227 4.320 0.000 0.000 0.208 8 K C 2.196 178.797 176.600 0.001 0.000 1.048 8 K CA 1.603 57.894 56.287 0.007 0.000 0.928 8 K CB -0.252 32.251 32.500 0.005 0.000 0.713 8 K HN 0.483 nan 8.250 nan 0.000 0.442 9 K N 0.330 120.729 120.400 -0.003 0.000 2.057 9 K HA -0.047 4.273 4.320 0.000 0.000 0.207 9 K C 2.321 178.914 176.600 -0.011 0.000 1.049 9 K CA 1.478 57.761 56.287 -0.007 0.000 0.931 9 K CB -0.124 32.371 32.500 -0.009 0.000 0.714 9 K HN -0.032 nan 8.250 nan 0.000 0.440 10 S N 1.370 117.061 115.700 -0.014 0.000 2.382 10 S HA -0.120 4.350 4.470 0.000 0.000 0.228 10 S C 1.838 176.428 174.600 -0.016 0.000 1.027 10 S CA 0.952 59.137 58.200 -0.024 0.000 0.991 10 S CB -0.225 62.953 63.200 -0.035 0.000 0.823 10 S HN 0.195 nan 8.310 nan 0.000 0.469 11 L N 2.026 123.247 121.223 -0.003 0.000 2.046 11 L HA -0.063 4.277 4.340 0.000 0.000 0.208 11 L C 2.182 179.050 176.870 -0.003 0.000 1.077 11 L CA 1.845 56.687 54.840 0.004 0.000 0.747 11 L CB -0.598 41.468 42.059 0.012 0.000 0.896 11 L HN 0.099 nan 8.230 nan 0.000 0.432 12 E N -0.418 119.779 120.200 -0.006 0.000 2.077 12 E HA -0.182 4.168 4.350 0.000 0.000 0.193 12 E C 2.330 178.923 176.600 -0.011 0.000 0.989 12 E CA 1.457 57.852 56.400 -0.008 0.000 0.800 12 E CB -0.260 29.435 29.700 -0.008 0.000 0.746 12 E HN 0.739 nan 8.360 nan 0.000 0.452 13 S N 0.578 116.269 115.700 -0.015 0.000 2.356 13 S HA -0.213 4.257 4.470 0.000 0.000 0.223 13 S C 2.253 176.842 174.600 -0.018 0.000 1.032 13 S CA 1.371 59.560 58.200 -0.017 0.000 1.005 13 S CB -1.053 62.133 63.200 -0.023 0.000 0.867 13 S HN 0.525 nan 8.310 nan 0.000 0.449 14 I N 0.715 121.274 120.570 -0.019 0.000 2.252 14 I HA -0.141 4.029 4.170 0.000 0.000 0.245 14 I C 2.559 178.668 176.117 -0.013 0.000 1.102 14 I CA 1.908 63.198 61.300 -0.017 0.000 1.385 14 I CB -0.799 37.193 38.000 -0.014 0.000 1.064 14 I HN 0.235 nan 8.210 nan 0.000 0.414 15 N N 1.596 120.289 118.700 -0.012 0.000 2.120 15 N HA -0.160 4.580 4.740 0.000 0.000 0.188 15 N C 1.899 177.397 175.510 -0.020 0.000 1.024 15 N CA 1.944 54.985 53.050 -0.015 0.000 0.852 15 N CB -0.049 38.429 38.487 -0.014 0.000 1.003 15 N HN 0.456 nan 8.380 nan 0.000 0.424 16 S N 0.843 116.533 115.700 -0.016 0.000 2.368 16 S HA -0.076 4.394 4.470 0.000 0.000 0.225 16 S C 1.910 176.502 174.600 -0.014 0.000 1.030 16 S CA 0.565 58.756 58.200 -0.015 0.000 0.999 16 S CB -0.158 63.034 63.200 -0.012 0.000 0.844 16 S HN 0.372 nan 8.310 nan 0.000 0.459 17 R N 1.251 121.744 120.500 -0.011 0.000 2.081 17 R HA -0.005 4.335 4.340 0.000 0.000 0.235 17 R C 2.207 178.504 176.300 -0.004 0.000 1.131 17 R CA 0.945 57.041 56.100 -0.006 0.000 0.960 17 R CB -0.827 29.470 30.300 -0.005 0.000 0.856 17 R HN 0.367 nan 8.270 nan 0.000 0.436 18 L N 1.623 122.839 121.223 -0.012 0.000 2.046 18 L HA -0.190 4.150 4.340 0.000 0.000 0.208 18 L C 2.331 179.172 176.870 -0.048 0.000 1.077 18 L CA 1.962 56.790 54.840 -0.020 0.000 0.747 18 L CB -0.983 41.057 42.059 -0.031 0.000 0.896 18 L HN 0.368 nan 8.230 nan 0.000 0.432 19 Q N -0.382 119.389 119.800 -0.049 0.000 2.084 19 Q HA -0.242 4.098 4.340 0.000 0.000 0.202 19 Q C 2.441 178.417 176.000 -0.039 0.000 0.978 19 Q CA 1.816 57.581 55.803 -0.062 0.000 0.844 19 Q CB -0.111 28.600 28.738 -0.044 0.000 0.898 19 Q HN 0.607 nan 8.270 nan 0.000 0.426 20 L N 0.078 121.293 121.223 -0.013 0.000 2.046 20 L HA -0.158 4.182 4.340 0.000 0.000 0.208 20 L C 2.134 179.021 176.870 0.028 0.000 1.077 20 L CA 0.975 55.818 54.840 0.005 0.000 0.747 20 L CB -0.135 41.928 42.059 0.007 0.000 0.896 20 L HN 0.151 nan 8.230 nan 0.000 0.432 21 V N 0.471 120.407 119.914 0.038 0.000 2.427 21 V HA -0.308 3.812 4.120 0.000 0.000 0.248 21 V C 2.550 178.756 176.094 0.187 0.000 1.051 21 V CA 1.941 64.299 62.300 0.097 0.000 1.048 21 V CB -0.604 31.279 31.823 0.100 0.000 0.666 21 V HN 0.697 nan 8.190 nan 0.000 0.456 22 M N 1.143 120.765 119.600 0.038 0.000 2.117 22 M HA -0.152 4.328 4.480 0.000 0.000 0.262 22 M C 2.031 178.415 176.300 0.140 0.000 1.065 22 M CA 2.192 57.426 55.300 -0.110 0.000 1.114 22 M CB -0.980 31.317 32.600 -0.505 0.000 1.361 22 M HN 0.167 nan 8.290 nan 0.000 0.408 23 K N 0.517 120.955 120.400 0.063 0.000 2.057 23 K HA -0.138 4.182 4.320 0.000 0.000 0.207 23 K C 1.989 178.650 176.600 0.100 0.000 1.049 23 K CA 1.932 58.261 56.287 0.070 0.000 0.931 23 K CB -0.306 32.215 32.500 0.036 0.000 0.714 23 K HN 0.679 nan 8.250 nan 0.000 0.440 24 S N -0.814 114.948 115.700 0.103 0.000 2.447 24 S HA 0.026 4.496 4.470 0.000 0.000 0.233 24 S C 1.374 176.031 174.600 0.095 0.000 1.006 24 S CA 0.754 59.004 58.200 0.082 0.000 0.957 24 S CB -0.262 62.977 63.200 0.064 0.000 0.773 24 S HN 0.587 nan 8.310 nan 0.000 0.507 25 G N 1.177 110.089 108.800 0.188 0.000 2.149 25 G HA2 -0.235 3.725 3.960 0.000 0.000 0.235 25 G HA3 -0.235 3.725 3.960 0.000 0.000 0.235 25 G C 0.047 174.896 174.900 -0.085 0.000 1.018 25 G CA 0.232 45.375 45.100 0.072 0.000 0.728 25 G HN 0.586 nan 8.290 nan 0.000 0.508 26 K N -0.121 120.311 120.400 0.053 0.000 3.109 26 K HA 0.449 4.769 4.320 0.000 0.000 0.214 26 K C -0.234 176.395 176.600 0.048 0.000 1.196 26 K CA -0.463 55.823 56.287 -0.002 0.000 1.115 26 K CB 0.268 32.788 32.500 0.034 0.000 1.103 26 K HN 0.662 nan 8.250 nan 0.000 0.467 27 Y N -3.029 117.270 120.300 -0.002 0.000 2.492 27 Y HA 0.665 5.215 4.550 0.000 0.000 0.346 27 Y C -0.831 175.067 175.900 -0.005 0.000 0.997 27 Y CA -1.571 56.528 58.100 -0.003 0.000 1.025 27 Y CB 1.134 39.595 38.460 0.002 0.000 1.263 27 Y HN -0.281 nan 8.280 nan 0.000 0.454 28 V N 4.830 124.791 119.914 0.080 0.000 2.604 28 V HA 0.611 4.731 4.120 0.000 0.000 0.305 28 V C -0.634 175.541 176.094 0.136 0.000 1.043 28 V CA -0.721 61.592 62.300 0.021 0.000 0.888 28 V CB 1.466 33.271 31.823 -0.030 0.000 0.995 28 V HN 0.817 nan 8.190 nan 0.000 0.429 29 L N 2.167 123.476 121.223 0.143 0.000 2.354 29 L HA 1.149 5.489 4.340 0.000 0.000 0.269 29 L C 0.041 176.955 176.870 0.073 0.000 1.005 29 L CA -0.324 54.595 54.840 0.131 0.000 0.819 29 L CB 1.551 43.711 42.059 0.169 0.000 1.311 29 L HN 1.128 nan 8.230 nan 0.000 0.423 30 G N 0.582 109.422 108.800 0.066 0.000 2.674 30 G HA2 -0.190 3.770 3.960 0.000 0.000 0.686 30 G HA3 -0.190 3.770 3.960 0.000 0.000 0.686 30 G C -0.477 174.463 174.900 0.067 0.000 1.195 30 G CA 0.001 45.144 45.100 0.072 0.000 0.776 30 G HN 1.201 nan 8.290 nan 0.000 0.654 31 Y N 1.279 121.575 120.300 -0.007 0.000 2.145 31 Y HA -0.060 4.490 4.550 0.000 0.000 0.286 31 Y C 2.780 178.656 175.900 -0.040 0.000 1.145 31 Y CA 2.788 60.877 58.100 -0.019 0.000 1.148 31 Y CB -0.040 38.414 38.460 -0.011 0.000 0.981 31 Y HN 0.700 nan 8.280 nan 0.000 0.507 32 K N -0.441 120.011 120.400 0.086 0.000 2.057 32 K HA -0.202 4.118 4.320 0.000 0.000 0.206 32 K C 2.066 178.595 176.600 -0.118 0.000 1.050 32 K CA 1.618 57.896 56.287 -0.015 0.000 0.935 32 K CB -0.056 32.477 32.500 0.054 0.000 0.715 32 K HN 0.322 nan 8.250 nan 0.000 0.439 33 Q N -0.075 119.682 119.800 -0.073 0.000 2.119 33 Q HA -0.138 4.202 4.340 0.000 0.000 0.201 33 Q C 2.168 178.099 176.000 -0.115 0.000 0.972 33 Q CA 1.715 57.473 55.803 -0.074 0.000 0.847 33 Q CB -0.678 28.039 28.738 -0.035 0.000 0.903 33 Q HN 0.363 nan 8.270 nan 0.000 0.433 34 T N 1.032 115.494 114.554 -0.154 0.000 2.788 34 T HA -0.048 4.302 4.350 0.000 0.000 0.268 34 T C 1.951 176.509 174.700 -0.237 0.000 1.044 34 T CA 0.614 62.611 62.100 -0.171 0.000 1.139 34 T CB -0.094 68.666 68.868 -0.180 0.000 0.867 34 T HN 0.148 nan 8.240 nan 0.000 0.454 35 L N 0.154 121.157 121.223 -0.368 0.000 2.083 35 L HA -0.102 4.237 4.340 0.000 0.000 0.209 35 L C 2.768 179.488 176.870 -0.249 0.000 1.083 35 L CA 1.616 56.211 54.840 -0.408 0.000 0.752 35 L CB -0.457 41.298 42.059 -0.506 0.000 0.899 35 L HN 0.279 nan 8.230 nan 0.000 0.433 36 K N -0.312 119.982 120.400 -0.178 0.000 2.057 36 K HA -0.154 4.166 4.320 0.000 0.000 0.207 36 K C 2.156 178.703 176.600 -0.088 0.000 1.049 36 K CA 1.341 57.561 56.287 -0.112 0.000 0.931 36 K CB -0.146 32.303 32.500 -0.084 0.000 0.714 36 K HN 0.245 nan 8.250 nan 0.000 0.440 37 M N 0.426 119.973 119.600 -0.088 0.000 2.117 37 M HA -0.163 4.317 4.480 0.000 0.000 0.262 37 M C 2.203 178.474 176.300 -0.049 0.000 1.065 37 M CA 1.613 56.876 55.300 -0.061 0.000 1.114 37 M CB -0.381 32.187 32.600 -0.053 0.000 1.361 37 M HN 0.143 nan 8.290 nan 0.000 0.408 38 I N -0.574 119.958 120.570 -0.064 0.000 2.315 38 I HA -0.294 3.876 4.170 0.000 0.000 0.248 38 I C 2.669 178.780 176.117 -0.010 0.000 1.117 38 I CA 1.111 62.394 61.300 -0.029 0.000 1.404 38 I CB -0.514 37.472 38.000 -0.023 0.000 1.071 38 I HN 0.321 nan 8.210 nan 0.000 0.419 39 R N 1.074 121.555 120.500 -0.032 0.000 2.083 39 R HA -0.234 4.106 4.340 0.000 0.000 0.237 39 R C 2.247 178.546 176.300 -0.002 0.000 1.137 39 R CA 1.835 57.932 56.100 -0.005 0.000 0.951 39 R CB -0.144 30.138 30.300 -0.030 0.000 0.851 39 R HN 0.446 nan 8.270 nan 0.000 0.434 40 Q N -1.427 118.363 119.800 -0.016 0.000 2.172 40 Q HA 0.012 4.352 4.340 0.000 0.000 0.200 40 Q C 1.067 177.064 176.000 -0.006 0.000 0.964 40 Q CA 1.055 56.850 55.803 -0.012 0.000 0.855 40 Q CB 0.351 29.077 28.738 -0.021 0.000 0.918 40 Q HN 0.720 nan 8.270 nan 0.000 0.444 41 G N 0.269 109.066 108.800 -0.005 0.000 2.144 41 G HA2 -0.197 3.763 3.960 0.000 0.000 0.218 41 G HA3 -0.197 3.763 3.960 0.000 0.000 0.218 41 G C 0.811 175.710 174.900 -0.003 0.000 0.988 41 G CA 0.275 45.376 45.100 0.001 0.000 0.659 41 G HN 0.043 nan 8.290 nan 0.000 0.522 42 K N 0.312 120.705 120.400 -0.010 0.000 2.217 42 K HA 0.313 4.633 4.320 0.000 0.000 0.202 42 K C 1.609 178.204 176.600 -0.009 0.000 1.051 42 K CA 1.041 57.321 56.287 -0.013 0.000 0.952 42 K CB -0.203 32.283 32.500 -0.023 0.000 0.736 42 K HN 0.918 nan 8.250 nan 0.000 0.453 43 A N 2.174 124.990 122.820 -0.007 0.000 2.409 43 A HA 0.136 4.456 4.320 0.000 0.000 0.267 43 A C 1.009 178.600 177.584 0.012 0.000 1.127 43 A CA -0.243 51.794 52.037 -0.000 0.000 0.795 43 A CB 0.517 19.515 19.000 -0.003 0.000 1.061 43 A HN -0.053 nan 8.150 nan 0.000 0.502 44 K N 1.278 121.686 120.400 0.014 0.000 2.031 44 K HA 0.075 4.395 4.320 0.000 0.000 0.205 44 K C 0.738 177.353 176.600 0.026 0.000 1.049 44 K CA 1.487 57.784 56.287 0.017 0.000 0.939 44 K CB -0.614 31.893 32.500 0.013 0.000 0.717 44 K HN 0.872 nan 8.250 nan 0.000 0.438 45 L N -3.665 117.575 121.223 0.028 0.000 2.671 45 L HA 0.522 4.862 4.340 0.000 0.000 0.259 45 L C -1.148 175.745 176.870 0.037 0.000 1.021 45 L CA -1.019 53.845 54.840 0.041 0.000 0.871 45 L CB 1.967 44.040 42.059 0.024 0.000 1.472 45 L HN -0.287 nan 8.230 nan 0.000 0.410 46 V N 2.261 122.208 119.914 0.054 0.000 2.628 46 V HA 0.656 4.776 4.120 0.000 0.000 0.306 46 V C -0.506 175.586 176.094 -0.003 0.000 1.045 46 V CA -0.438 61.874 62.300 0.021 0.000 0.905 46 V CB 1.886 33.717 31.823 0.012 0.000 0.997 46 V HN 0.667 nan 8.190 nan 0.000 0.436 47 I N 6.933 127.485 120.570 -0.029 0.000 2.465 47 I HA 0.513 4.683 4.170 0.000 0.000 0.291 47 I C -0.634 175.425 176.117 -0.096 0.000 1.014 47 I CA -0.392 60.878 61.300 -0.049 0.000 1.093 47 I CB 1.770 39.762 38.000 -0.012 0.000 1.267 47 I HN 0.376 nan 8.210 nan 0.000 0.431 48 L N 4.557 125.655 121.223 -0.208 0.000 2.309 48 L HA 0.826 5.166 4.340 0.000 0.000 0.261 48 L C -0.167 176.699 176.870 -0.007 0.000 1.021 48 L CA -1.016 53.692 54.840 -0.219 0.000 0.823 48 L CB 2.039 43.669 42.059 -0.714 0.000 1.366 48 L HN 0.613 nan 8.230 nan 0.000 0.423 49 A N 0.463 123.368 122.820 0.143 0.000 2.290 49 A HA 0.370 4.690 4.320 0.000 0.000 0.310 49 A C 0.418 178.188 177.584 0.310 0.000 1.202 49 A CA -0.573 51.577 52.037 0.188 0.000 0.837 49 A CB 0.512 19.582 19.000 0.117 0.000 1.139 49 A HN 0.810 nan 8.150 nan 0.000 0.509 50 N N 1.417 120.269 118.700 0.253 0.000 2.120 50 N HA -0.139 4.601 4.740 0.000 0.000 0.188 50 N C 0.529 176.085 175.510 0.077 0.000 1.024 50 N CA 1.522 54.663 53.050 0.152 0.000 0.852 50 N CB -0.161 38.374 38.487 0.079 0.000 1.003 50 N HN 0.765 nan 8.380 nan 0.000 0.424 51 N N 0.607 119.352 118.700 0.075 0.000 3.209 51 N HA 0.110 4.850 4.740 0.000 0.000 0.309 51 N C -1.401 174.142 175.510 0.054 0.000 1.384 51 N CA -0.186 52.891 53.050 0.045 0.000 1.173 51 N CB -0.176 38.330 38.487 0.032 0.000 1.460 51 N HN 0.040 nan 8.380 nan 0.000 0.534 52 C N 2.428 121.772 119.300 0.073 0.000 2.347 52 C HA 0.494 4.954 4.460 0.000 0.000 0.353 52 C C -1.730 173.282 174.990 0.037 0.000 1.273 52 C CA -1.212 57.848 59.018 0.069 0.000 1.861 52 C CB 0.540 28.345 27.740 0.108 0.000 2.420 52 C HN 0.521 nan 8.230 nan 0.000 0.542 53 P HA 0.527 nan 4.420 nan 0.000 0.277 53 P C -0.361 176.935 177.300 -0.007 0.000 1.240 53 P CA 0.466 63.570 63.100 0.007 0.000 0.798 53 P CB 0.783 32.487 31.700 0.008 0.000 0.979 54 A N 0.697 123.507 122.820 -0.016 0.000 2.441 54 A HA -0.170 4.150 4.320 0.000 0.000 0.686 54 A C 0.946 178.505 177.584 -0.042 0.000 0.143 54 A CA 0.153 52.170 52.037 -0.033 0.000 0.029 54 A CB -1.890 17.081 19.000 -0.047 0.000 3.973 54 A HN 0.466 nan 8.150 nan 0.000 0.548 55 L N 0.422 121.613 121.223 -0.053 0.000 2.056 55 L HA -0.068 4.272 4.340 0.000 0.000 0.207 55 L C 1.749 178.563 176.870 -0.094 0.000 1.078 55 L CA 1.470 56.278 54.840 -0.053 0.000 0.749 55 L CB -0.295 41.735 42.059 -0.048 0.000 0.901 55 L HN 0.701 nan 8.230 nan 0.000 0.433 56 R N 1.748 122.135 120.500 -0.188 0.000 2.498 56 R HA -0.047 4.293 4.340 0.000 0.000 0.334 56 R C 0.665 176.647 176.300 -0.529 0.000 1.106 56 R CA 0.447 56.293 56.100 -0.424 0.000 0.995 56 R CB -0.052 29.908 30.300 -0.566 0.000 0.989 56 R HN 0.429 nan 8.270 nan 0.000 0.455 57 K N -1.965 118.304 120.400 -0.220 0.000 1.602 57 K HA -0.076 4.244 4.320 0.000 0.000 0.104 57 K C 1.172 177.978 176.600 0.344 0.000 2.223 57 K CA 0.157 56.562 56.287 0.197 0.000 1.027 57 K CB -0.583 32.033 32.500 0.194 0.000 2.408 57 K HN 0.152 nan 8.250 nan 0.000 0.369 58 S N 0.945 116.772 115.700 0.210 0.000 2.419 58 S HA -0.096 4.374 4.470 0.000 0.000 0.233 58 S C 1.417 176.178 174.600 0.269 0.000 1.016 58 S CA 1.417 59.745 58.200 0.212 0.000 0.974 58 S CB -0.180 63.089 63.200 0.115 0.000 0.786 58 S HN 0.370 nan 8.310 nan 0.000 0.492 59 E N 1.056 121.460 120.200 0.341 0.000 2.150 59 E HA -0.065 4.285 4.350 0.000 0.000 0.193 59 E C 1.951 178.851 176.600 0.500 0.000 0.985 59 E CA 0.825 57.493 56.400 0.446 0.000 0.814 59 E CB -0.378 29.637 29.700 0.526 0.000 0.752 59 E HN 0.624 nan 8.360 nan 0.000 0.466 60 I N 1.649 122.410 120.570 0.320 0.000 2.163 60 I HA -0.318 3.852 4.170 0.000 0.000 0.243 60 I C 2.626 178.830 176.117 0.144 0.000 1.085 60 I CA 1.719 63.118 61.300 0.164 0.000 1.347 60 I CB -0.468 37.566 38.000 0.057 0.000 1.044 60 I HN 0.174 nan 8.210 nan 0.000 0.408 61 E N 0.660 120.942 120.200 0.136 0.000 2.110 61 E HA -0.307 4.043 4.350 0.000 0.000 0.193 61 E C 2.263 178.825 176.600 -0.063 0.000 0.988 61 E CA 1.436 57.824 56.400 -0.020 0.000 0.804 61 E CB -0.743 29.010 29.700 0.089 0.000 0.745 61 E HN 0.560 nan 8.360 nan 0.000 0.458 62 Y N 0.584 120.880 120.300 -0.006 0.000 2.145 62 Y HA -0.256 4.294 4.550 0.000 0.000 0.286 62 Y C 1.774 177.583 175.900 -0.152 0.000 1.145 62 Y CA 1.855 59.903 58.100 -0.085 0.000 1.148 62 Y CB -0.302 38.102 38.460 -0.093 0.000 0.981 62 Y HN -0.003 nan 8.280 nan 0.000 0.507 63 Y N -0.567 119.757 120.300 0.040 0.000 2.181 63 Y HA -0.180 4.370 4.550 0.000 0.000 0.288 63 Y C 2.632 178.441 175.900 -0.151 0.000 1.146 63 Y CA 1.300 59.380 58.100 -0.033 0.000 1.164 63 Y CB -1.038 37.425 38.460 0.004 0.000 0.982 63 Y HN 0.215 nan 8.280 nan 0.000 0.515 64 A N -0.067 122.713 122.820 -0.066 0.000 1.902 64 A HA -0.245 4.075 4.320 0.000 0.000 0.217 64 A C 2.349 179.774 177.584 -0.265 0.000 1.181 64 A CA 1.799 53.720 52.037 -0.193 0.000 0.623 64 A CB -0.831 17.877 19.000 -0.487 0.000 0.818 64 A HN 0.539 nan 8.150 nan 0.000 0.443 65 M N -0.597 118.774 119.600 -0.382 0.000 2.080 65 M HA -0.119 4.361 4.480 0.000 0.000 0.260 65 M C 2.055 178.211 176.300 -0.240 0.000 1.068 65 M CA 1.848 56.966 55.300 -0.302 0.000 1.109 65 M CB -0.166 32.216 32.600 -0.363 0.000 1.342 65 M HN 0.425 nan 8.290 nan 0.000 0.405 66 L N 0.619 121.650 121.223 -0.321 0.000 2.093 66 L HA -0.086 4.254 4.340 0.000 0.000 0.208 66 L C 2.400 179.201 176.870 -0.115 0.000 1.085 66 L CA 2.123 56.820 54.840 -0.237 0.000 0.755 66 L CB -1.420 40.469 42.059 -0.282 0.000 0.904 66 L HN 0.430 nan 8.230 nan 0.000 0.435 67 A N -0.020 122.752 122.820 -0.081 0.000 2.019 67 A HA -0.230 4.090 4.320 0.000 0.000 0.219 67 A C 1.644 179.224 177.584 -0.008 0.000 1.164 67 A CA 1.411 53.436 52.037 -0.019 0.000 0.644 67 A CB -0.371 18.636 19.000 0.013 0.000 0.805 67 A HN 0.614 nan 8.150 nan 0.000 0.449 68 K N -1.116 119.277 120.400 -0.011 0.000 3.192 68 K HA -0.131 4.189 4.320 0.000 0.000 0.278 68 K C -0.885 175.751 176.600 0.060 0.000 1.164 68 K CA 0.921 57.224 56.287 0.026 0.000 0.816 68 K CB -2.219 30.287 32.500 0.011 0.000 1.256 68 K HN 0.461 nan 8.250 nan 0.000 0.497 69 T N 0.199 114.806 114.554 0.087 0.000 2.882 69 T HA 0.508 4.858 4.350 0.000 0.000 0.287 69 T C 0.906 175.741 174.700 0.226 0.000 0.992 69 T CA -0.191 61.980 62.100 0.119 0.000 1.076 69 T CB 1.613 70.541 68.868 0.101 0.000 0.961 69 T HN 0.424 nan 8.240 nan 0.000 0.490 70 G N 0.638 109.517 108.800 0.132 0.000 2.489 70 G HA2 0.360 4.320 3.960 0.000 0.000 0.271 70 G HA3 0.360 4.320 3.960 0.000 0.000 0.271 70 G C 0.103 175.026 174.900 0.039 0.000 1.427 70 G CA -0.794 44.345 45.100 0.064 0.000 1.057 70 G HN 0.701 nan 8.290 nan 0.000 0.532 71 V N 2.213 122.092 119.914 -0.058 0.000 5.412 71 V HA -0.177 3.943 4.120 0.000 0.000 0.172 71 V C 0.130 176.263 176.094 0.065 0.000 0.838 71 V CA 1.154 63.446 62.300 -0.013 0.000 0.652 71 V CB -1.879 29.927 31.823 -0.028 0.000 0.370 71 V HN 0.757 nan 8.190 nan 0.000 0.353 72 H N 3.148 122.349 119.070 0.219 0.000 2.700 72 H HA 0.690 5.246 4.556 0.000 0.000 0.269 72 H C -0.165 175.114 175.328 -0.081 0.000 1.222 72 H CA -0.668 55.393 56.048 0.022 0.000 1.254 72 H CB 0.622 30.360 29.762 -0.039 0.000 1.413 72 H HN 0.703 nan 8.280 nan 0.000 0.507 73 H N 1.208 120.229 119.070 -0.082 0.000 2.908 73 H HA 0.383 4.939 4.556 0.000 0.000 0.350 73 H C -1.151 174.081 175.328 -0.159 0.000 1.217 73 H CA -0.591 55.435 56.048 -0.037 0.000 1.168 73 H CB 1.400 31.160 29.762 -0.003 0.000 1.891 73 H HN 0.412 nan 8.280 nan 0.000 0.566 74 Y N -0.098 120.300 120.300 0.163 0.000 2.377 74 Y HA 0.492 5.042 4.550 0.000 0.000 0.339 74 Y C 0.083 176.039 175.900 0.093 0.000 1.011 74 Y CA -0.471 57.691 58.100 0.103 0.000 1.093 74 Y CB 1.825 40.328 38.460 0.070 0.000 1.201 74 Y HN 0.443 nan 8.280 nan 0.000 0.455 75 S N 0.685 116.500 115.700 0.191 0.000 2.651 75 S HA 0.349 4.819 4.470 0.000 0.000 0.291 75 S C 1.162 175.836 174.600 0.124 0.000 1.141 75 S CA -0.322 57.951 58.200 0.122 0.000 1.027 75 S CB 1.581 64.823 63.200 0.070 0.000 1.043 75 S HN 1.002 nan 8.310 nan 0.000 0.530 76 G N 1.357 110.206 108.800 0.082 0.000 2.402 76 G HA2 -0.080 3.880 3.960 0.000 0.000 0.216 76 G HA3 -0.080 3.880 3.960 0.000 0.000 0.216 76 G C 0.186 175.119 174.900 0.055 0.000 1.162 76 G CA 0.620 45.759 45.100 0.065 0.000 0.777 76 G HN 0.556 nan 8.290 nan 0.000 0.539 77 N N -0.104 118.622 118.700 0.044 0.000 2.314 77 N HA 0.256 4.996 4.740 0.000 0.000 0.294 77 N C 0.496 176.025 175.510 0.031 0.000 1.029 77 N CA -0.605 52.463 53.050 0.030 0.000 0.845 77 N CB 1.563 40.057 38.487 0.012 0.000 1.321 77 N HN 0.024 nan 8.380 nan 0.000 0.481 78 N N 1.301 120.020 118.700 0.032 0.000 2.142 78 N HA -0.098 4.642 4.740 0.000 0.000 0.186 78 N C 1.650 177.166 175.510 0.010 0.000 1.023 78 N CA 1.020 54.090 53.050 0.033 0.000 0.852 78 N CB 0.222 38.731 38.487 0.037 0.000 0.998 78 N HN 0.570 nan 8.380 nan 0.000 0.424 79 I N 0.720 121.284 120.570 -0.009 0.000 2.252 79 I HA -0.122 4.048 4.170 0.000 0.000 0.245 79 I C 2.090 178.183 176.117 -0.039 0.000 1.102 79 I CA 1.609 62.885 61.300 -0.040 0.000 1.385 79 I CB -1.365 36.601 38.000 -0.058 0.000 1.064 79 I HN -0.059 nan 8.210 nan 0.000 0.414 80 E N 1.525 121.712 120.200 -0.022 0.000 2.077 80 E HA -0.193 4.157 4.350 0.000 0.000 0.193 80 E C 2.383 178.971 176.600 -0.020 0.000 0.989 80 E CA 1.427 57.814 56.400 -0.021 0.000 0.800 80 E CB -0.413 29.282 29.700 -0.008 0.000 0.746 80 E HN 0.617 nan 8.360 nan 0.000 0.452 81 L N -0.618 120.601 121.223 -0.008 0.000 2.093 81 L HA -0.046 4.294 4.340 0.000 0.000 0.208 81 L C 2.211 179.069 176.870 -0.019 0.000 1.085 81 L CA 1.688 56.524 54.840 -0.007 0.000 0.755 81 L CB -0.671 41.395 42.059 0.012 0.000 0.904 81 L HN 0.355 nan 8.230 nan 0.000 0.435 82 G N -1.574 107.217 108.800 -0.015 0.000 2.421 82 G HA2 -0.324 3.636 3.960 0.000 0.000 0.216 82 G HA3 -0.324 3.636 3.960 0.000 0.000 0.216 82 G C 1.545 176.422 174.900 -0.038 0.000 1.171 82 G CA 1.163 46.255 45.100 -0.014 0.000 0.775 82 G HN 0.390 nan 8.290 nan 0.000 0.543 83 T N 0.818 115.341 114.554 -0.053 0.000 2.821 83 T HA 0.090 4.440 4.350 0.000 0.000 0.267 83 T C 2.686 177.351 174.700 -0.059 0.000 1.046 83 T CA 1.930 63.997 62.100 -0.055 0.000 1.139 83 T CB -0.435 68.400 68.868 -0.055 0.000 0.871 83 T HN 0.305 nan 8.240 nan 0.000 0.454 84 A N 0.028 122.813 122.820 -0.059 0.000 1.933 84 A HA -0.096 4.224 4.320 0.000 0.000 0.218 84 A C 2.790 180.303 177.584 -0.118 0.000 1.175 84 A CA 1.726 53.722 52.037 -0.069 0.000 0.628 84 A CB -1.500 17.468 19.000 -0.053 0.000 0.814 84 A HN 0.694 nan 8.150 nan 0.000 0.444 85 C N -1.350 117.869 119.300 -0.135 0.000 2.432 85 C HA 0.298 4.758 4.460 0.000 0.000 0.282 85 C C 2.090 176.908 174.990 -0.287 0.000 1.388 85 C CA 1.292 60.165 59.018 -0.242 0.000 1.777 85 C CB -1.362 26.292 27.740 -0.142 0.000 1.882 85 C HN 1.389 nan 8.230 nan 0.000 0.520 86 G N 0.383 109.098 108.800 -0.142 0.000 2.144 86 G HA2 -0.160 3.800 3.960 0.000 0.000 0.218 86 G HA3 -0.160 3.800 3.960 0.000 0.000 0.218 86 G C -0.197 174.693 174.900 -0.015 0.000 0.988 86 G CA 0.415 45.460 45.100 -0.092 0.000 0.659 86 G HN 0.543 nan 8.290 nan 0.000 0.522 87 K N -1.466 118.941 120.400 0.012 0.000 2.221 87 K HA 0.689 5.009 4.320 0.000 0.000 0.243 87 K C 0.626 177.293 176.600 0.111 0.000 0.968 87 K CA -1.017 55.336 56.287 0.109 0.000 0.846 87 K CB 0.836 33.434 32.500 0.164 0.000 1.141 87 K HN 0.042 nan 8.250 nan 0.000 0.434 88 Y N 0.665 120.990 120.300 0.041 0.000 2.263 88 Y HA -0.001 4.549 4.550 0.000 0.000 0.292 88 Y C -0.249 175.532 175.900 -0.197 0.000 1.130 88 Y CA 1.237 59.269 58.100 -0.113 0.000 1.179 88 Y CB 0.149 38.468 38.460 -0.237 0.000 0.998 88 Y HN 0.505 nan 8.280 nan 0.000 0.532 89 Y N 1.290 121.599 120.300 0.015 0.000 2.316 89 Y HA 0.344 4.894 4.550 0.000 0.000 0.324 89 Y C 0.593 176.452 175.900 -0.069 0.000 1.267 89 Y CA -0.880 57.197 58.100 -0.038 0.000 1.311 89 Y CB 0.426 38.923 38.460 0.062 0.000 1.267 89 Y HN -0.193 nan 8.280 nan 0.000 0.516 90 R N 0.645 121.199 120.500 0.091 0.000 2.594 90 R HA 0.424 4.764 4.340 0.000 0.000 0.272 90 R C -1.237 175.115 176.300 0.086 0.000 1.074 90 R CA -0.436 55.691 56.100 0.045 0.000 1.105 90 R CB 0.385 30.703 30.300 0.030 0.000 1.008 90 R HN 0.326 nan 8.270 nan 0.000 0.472 91 V N 2.293 122.242 119.914 0.058 0.000 2.487 91 V HA 0.089 4.209 4.120 0.000 0.000 0.298 91 V C 0.705 176.836 176.094 0.062 0.000 1.028 91 V CA -0.747 61.592 62.300 0.064 0.000 0.860 91 V CB 1.622 33.476 31.823 0.053 0.000 0.991 91 V HN 1.009 nan 8.190 nan 0.000 0.427 92 C N 2.266 121.611 119.300 0.074 0.000 2.466 92 C HA 0.097 4.557 4.460 0.000 0.000 0.278 92 C C 1.304 176.347 174.990 0.088 0.000 1.288 92 C CA 0.988 60.059 59.018 0.089 0.000 1.722 92 C CB -0.305 27.495 27.740 0.100 0.000 2.017 92 C HN 0.905 nan 8.230 nan 0.000 0.488 93 T N -0.284 114.319 114.554 0.082 0.000 2.923 93 T HA 0.653 5.003 4.350 0.000 0.000 0.311 93 T C -1.624 173.100 174.700 0.040 0.000 1.183 93 T CA -0.396 61.736 62.100 0.053 0.000 1.020 93 T CB 0.727 69.639 68.868 0.073 0.000 1.165 93 T HN 0.207 nan 8.240 nan 0.000 0.482 94 L N 2.237 123.472 121.223 0.020 0.000 2.424 94 L HA 0.902 5.242 4.340 0.000 0.000 0.258 94 L C -0.706 176.177 176.870 0.022 0.000 0.995 94 L CA -1.341 53.523 54.840 0.039 0.000 0.821 94 L CB 2.255 44.345 42.059 0.051 0.000 1.383 94 L HN 0.844 nan 8.230 nan 0.000 0.410 95 A N 2.221 125.063 122.820 0.036 0.000 2.393 95 A HA 0.726 5.046 4.320 0.000 0.000 0.306 95 A C -1.330 176.279 177.584 0.043 0.000 1.050 95 A CA -0.405 51.643 52.037 0.019 0.000 0.724 95 A CB 1.726 20.717 19.000 -0.014 0.000 1.248 95 A HN 0.675 nan 8.150 nan 0.000 0.424 96 I N 3.876 124.468 120.570 0.037 0.000 2.359 96 I HA 0.473 4.643 4.170 0.000 0.000 0.294 96 I C 0.129 176.259 176.117 0.021 0.000 0.987 96 I CA -1.219 60.109 61.300 0.046 0.000 1.225 96 I CB 0.891 38.917 38.000 0.044 0.000 1.366 96 I HN 0.721 nan 8.210 nan 0.000 0.466 97 I N 3.202 123.779 120.570 0.012 0.000 2.882 97 I HA 0.188 4.358 4.170 0.000 0.000 0.286 97 I C 0.799 176.917 176.117 0.001 0.000 1.139 97 I CA -0.204 61.093 61.300 -0.006 0.000 1.379 97 I CB 0.692 38.679 38.000 -0.022 0.000 1.410 97 I HN 0.618 nan 8.210 nan 0.000 0.594 98 D N 3.759 124.157 120.400 -0.003 0.000 2.097 98 D HA -0.008 4.632 4.640 0.000 0.000 0.195 98 D C -1.730 174.570 176.300 0.001 0.000 0.989 98 D CA 1.098 55.098 54.000 0.000 0.000 0.827 98 D CB -0.972 39.827 40.800 -0.002 0.000 0.966 98 D HN 0.505 nan 8.370 nan 0.000 0.456 99 P HA 0.306 nan 4.420 nan 0.000 0.275 99 P C 0.190 177.493 177.300 0.003 0.000 1.227 99 P CA 0.453 63.553 63.100 -0.001 0.000 0.781 99 P CB 1.177 32.875 31.700 -0.004 0.000 0.906 100 G N 2.576 111.378 108.800 0.004 0.000 2.806 100 G HA2 -0.241 3.719 3.960 0.000 0.000 0.236 100 G HA3 -0.241 3.719 3.960 0.000 0.000 0.236 100 G C -0.354 174.551 174.900 0.008 0.000 1.387 100 G CA -0.059 45.044 45.100 0.006 0.000 0.884 100 G HN 0.617 nan 8.290 nan 0.000 0.560 101 D N -1.370 119.035 120.400 0.009 0.000 2.811 101 D HA -0.195 4.445 4.640 0.000 0.000 0.231 101 D C 1.721 178.026 176.300 0.007 0.000 1.157 101 D CA 1.536 55.542 54.000 0.010 0.000 0.716 101 D CB -1.227 39.583 40.800 0.017 0.000 1.077 101 D HN 0.641 nan 8.370 nan 0.000 0.428 102 S N -0.290 115.413 115.700 0.005 0.000 2.368 102 S HA -0.180 4.290 4.470 0.000 0.000 0.224 102 S C 1.616 176.216 174.600 0.000 0.000 1.029 102 S CA 1.380 59.582 58.200 0.002 0.000 0.988 102 S CB 0.047 63.248 63.200 0.001 0.000 0.838 102 S HN 0.485 nan 8.310 nan 0.000 0.462 103 D N 1.969 122.369 120.400 -0.000 0.000 2.092 103 D HA -0.131 4.509 4.640 0.000 0.000 0.193 103 D C 1.940 178.237 176.300 -0.004 0.000 0.994 103 D CA 1.615 55.614 54.000 -0.002 0.000 0.828 103 D CB -0.371 40.428 40.800 -0.002 0.000 0.963 103 D HN 0.543 nan 8.370 nan 0.000 0.450 104 I N -1.692 118.877 120.570 -0.003 0.000 2.226 104 I HA -0.171 3.999 4.170 0.000 0.000 0.245 104 I C 1.987 178.101 176.117 -0.006 0.000 1.100 104 I CA 0.759 62.056 61.300 -0.005 0.000 1.374 104 I CB -0.447 37.551 38.000 -0.002 0.000 1.057 104 I HN -0.030 nan 8.210 nan 0.000 0.413 105 I N 1.612 122.181 120.570 -0.003 0.000 2.226 105 I HA -0.185 3.985 4.170 0.000 0.000 0.245 105 I C 2.892 179.004 176.117 -0.008 0.000 1.100 105 I CA 1.523 62.821 61.300 -0.003 0.000 1.374 105 I CB -1.211 36.791 38.000 0.002 0.000 1.057 105 I HN 0.349 nan 8.210 nan 0.000 0.413 106 R N 0.221 120.717 120.500 -0.008 0.000 2.096 106 R HA -0.101 4.239 4.340 0.000 0.000 0.235 106 R C 2.420 178.710 176.300 -0.017 0.000 1.127 106 R CA 1.391 57.485 56.100 -0.011 0.000 0.968 106 R CB -0.388 29.907 30.300 -0.008 0.000 0.861 106 R HN 0.326 nan 8.270 nan 0.000 0.440 107 S N 0.852 116.542 115.700 -0.018 0.000 2.351 107 S HA -0.148 4.322 4.470 0.000 0.000 0.220 107 S C 1.994 176.574 174.600 -0.035 0.000 1.035 107 S CA 1.298 59.484 58.200 -0.024 0.000 1.031 107 S CB -0.110 63.077 63.200 -0.021 0.000 0.928 107 S HN 0.176 nan 8.310 nan 0.000 0.433 108 M N 0.731 120.309 119.600 -0.036 0.000 2.086 108 M HA 0.010 4.490 4.480 0.000 0.000 0.261 108 M C -0.929 175.329 176.300 -0.070 0.000 1.067 108 M CA 1.200 56.467 55.300 -0.054 0.000 1.116 108 M CB -2.647 29.925 32.600 -0.048 0.000 1.348 108 M HN 0.084 nan 8.290 nan 0.000 0.407 109 P HA -0.151 nan 4.420 nan 0.000 0.216 109 P C 1.215 178.479 177.300 -0.059 0.000 1.150 109 P CA 1.316 64.384 63.100 -0.053 0.000 0.837 109 P CB -0.158 31.527 31.700 -0.025 0.000 0.786 110 E N -0.708 119.464 120.200 -0.047 0.000 2.072 110 E HA -0.221 4.128 4.350 0.000 0.000 0.191 110 E C 2.188 178.750 176.600 -0.063 0.000 0.985 110 E CA 0.840 57.214 56.400 -0.043 0.000 0.801 110 E CB -0.331 29.350 29.700 -0.031 0.000 0.750 110 E HN 0.326 nan 8.360 nan 0.000 0.452 111 Q N 0.859 120.612 119.800 -0.077 0.000 2.084 111 Q HA -0.092 4.248 4.340 0.000 0.000 0.202 111 Q C 0.623 176.532 176.000 -0.151 0.000 0.978 111 Q CA 1.475 57.222 55.803 -0.093 0.000 0.844 111 Q CB 0.161 28.849 28.738 -0.085 0.000 0.898 111 Q HN 0.214 nan 8.270 nan 0.000 0.426 112 T N -3.978 110.437 114.554 -0.232 0.000 2.895 112 T HA 0.594 4.944 4.350 0.000 0.000 0.283 112 T C 0.524 175.060 174.700 -0.273 0.000 1.014 112 T CA -0.238 61.602 62.100 -0.432 0.000 1.037 112 T CB 1.729 69.993 68.868 -1.007 0.000 1.006 112 T HN 0.481 nan 8.240 nan 0.000 0.468 113 G N 1.037 109.765 108.800 -0.120 0.000 2.165 113 G HA2 -0.202 3.758 3.960 0.000 0.000 0.226 113 G HA3 -0.202 3.758 3.960 0.000 0.000 0.226 113 G C -0.005 174.892 174.900 -0.005 0.000 1.035 113 G CA 0.109 45.219 45.100 0.018 0.000 0.744 113 G HN 1.078 nan 8.290 nan 0.000 0.501 114 E N 0.000 120.192 120.200 -0.013 0.000 2.725 114 E HA 0.000 4.350 4.350 0.000 0.000 0.291 114 E CA 0.000 56.395 56.400 -0.008 0.000 0.976 114 E CB 0.000 29.697 29.700 -0.006 0.000 0.812 114 E HN 0.000 nan 8.360 nan 0.000 0.440