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 2dyy_1_I DATA FIRST_RESID 2 DATA SEQUENCE KEVIFTENAP KPIGPYSQAI KAGNFLFIAG QIPIDPKTGE IVKGDIKDQT DATA SEQUENCE RQVLENIKAI LEAAGYSLND VIKVTVYLKD XXXXXXXXXV YAEYFGESKP DATA SEQUENCE ARVAVEVSRL PKDVLIEIEA IAYKE 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 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.644 176.600 0.073 0.000 0.988 2 K CA 0.000 56.334 56.287 0.078 0.000 0.838 2 K CB 0.000 32.534 32.500 0.057 0.000 1.064 3 E N 1.769 122.021 120.200 0.086 0.000 2.363 3 E HA 0.200 4.550 4.350 -0.000 0.000 0.281 3 E C -1.803 174.850 176.600 0.088 0.000 0.953 3 E CA -0.900 55.548 56.400 0.080 0.000 0.778 3 E CB 2.820 32.571 29.700 0.085 0.000 1.220 3 E HN 0.317 nan 8.360 nan 0.000 0.431 4 V N 3.581 123.541 119.914 0.077 0.000 2.567 4 V HA 0.461 4.581 4.120 -0.000 0.000 0.289 4 V C -0.863 175.298 176.094 0.111 0.000 1.049 4 V CA -0.245 62.107 62.300 0.087 0.000 0.969 4 V CB 0.849 32.709 31.823 0.061 0.000 0.995 4 V HN 0.468 nan 8.190 nan 0.000 0.471 5 I N 6.949 127.601 120.570 0.136 0.000 2.562 5 I HA 0.612 4.782 4.170 -0.000 0.000 0.301 5 I C -0.589 175.679 176.117 0.253 0.000 1.003 5 I CA -0.169 61.227 61.300 0.160 0.000 1.127 5 I CB 1.655 39.726 38.000 0.118 0.000 1.304 5 I HN 0.651 nan 8.210 nan 0.000 0.446 6 F N 3.262 123.237 119.950 0.041 0.000 2.626 6 F HA 0.789 5.315 4.527 -0.000 0.000 0.311 6 F C -0.456 175.364 175.800 0.034 0.000 1.088 6 F CA -0.307 57.715 58.000 0.037 0.000 0.949 6 F CB 2.117 41.136 39.000 0.033 0.000 1.322 6 F HN 0.469 nan 8.300 nan 0.000 0.461 7 T N 2.056 116.107 114.554 -0.838 0.000 2.827 7 T HA 0.186 4.535 4.350 -0.000 0.000 0.328 7 T C -0.511 173.750 174.700 -0.732 0.000 1.598 7 T CA -0.430 61.334 62.100 -0.561 0.000 1.043 7 T CB 1.580 70.304 68.868 -0.240 0.000 1.447 7 T HN 0.782 nan 8.240 nan 0.000 0.491 8 E N 1.452 121.412 120.200 -0.399 0.000 2.474 8 E HA 0.082 4.432 4.350 -0.000 0.000 0.194 8 E C 0.793 177.293 176.600 -0.168 0.000 1.041 8 E CA 0.365 56.604 56.400 -0.269 0.000 0.874 8 E CB 0.153 29.774 29.700 -0.133 0.000 0.914 8 E HN 0.536 nan 8.360 nan 0.000 0.498 9 N N 0.268 118.877 118.700 -0.152 0.000 2.521 9 N HA 0.032 4.771 4.740 -0.000 0.000 0.188 9 N C -0.343 175.118 175.510 -0.081 0.000 1.146 9 N CA 0.426 53.422 53.050 -0.091 0.000 0.893 9 N CB 0.630 39.078 38.487 -0.065 0.000 0.975 9 N HN 0.066 nan 8.380 nan 0.000 0.451 10 A N -0.138 122.614 122.820 -0.113 0.000 2.515 10 A HA 0.615 4.935 4.320 -0.000 0.000 0.298 10 A C -2.713 174.829 177.584 -0.070 0.000 1.059 10 A CA -1.625 50.366 52.037 -0.076 0.000 0.698 10 A CB 0.965 19.928 19.000 -0.062 0.000 1.289 10 A HN -0.152 nan 8.150 nan 0.000 0.404 11 P HA -0.070 nan 4.420 nan 0.000 0.263 11 P C -0.540 176.784 177.300 0.041 0.000 1.162 11 P CA 0.545 63.648 63.100 0.005 0.000 0.758 11 P CB 0.325 32.032 31.700 0.011 0.000 0.773 12 K N 5.372 125.822 120.400 0.083 0.000 2.339 12 K HA 0.155 4.475 4.320 -0.000 0.000 0.286 12 K C -1.800 174.907 176.600 0.178 0.000 1.050 12 K CA -1.727 54.679 56.287 0.198 0.000 0.956 12 K CB 0.051 32.678 32.500 0.211 0.000 0.990 12 K HN 0.352 nan 8.250 nan 0.000 0.475 13 P HA -0.043 nan 4.420 nan 0.000 0.263 13 P C -0.301 177.088 177.300 0.148 0.000 1.345 13 P CA 0.158 63.364 63.100 0.176 0.000 1.119 13 P CB -0.148 31.675 31.700 0.204 0.000 1.363 14 I N 2.924 123.568 120.570 0.124 0.000 2.471 14 I HA 0.354 4.524 4.170 -0.000 0.000 0.294 14 I C 0.409 176.613 176.117 0.145 0.000 1.123 14 I CA 1.059 62.421 61.300 0.103 0.000 1.336 14 I CB -0.745 37.301 38.000 0.076 0.000 1.430 14 I HN 0.606 nan 8.210 nan 0.000 0.533 15 G N 7.246 116.112 108.800 0.111 0.000 2.353 15 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.424 15 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.424 15 G C -2.995 171.874 174.900 -0.052 0.000 1.320 15 G CA -0.727 44.428 45.100 0.091 0.000 0.995 15 G HN 0.437 nan 8.290 nan 0.000 0.580 16 P HA 0.356 nan 4.420 nan 0.000 0.226 16 P C -1.210 175.699 177.300 -0.651 0.000 1.783 16 P CA 0.405 63.252 63.100 -0.422 0.000 0.980 16 P CB -0.742 30.700 31.700 -0.430 0.000 1.967 17 Y N -1.410 118.888 120.300 -0.004 0.000 2.615 17 Y HA 0.466 5.015 4.550 -0.000 0.000 0.341 17 Y C 0.620 176.533 175.900 0.022 0.000 1.089 17 Y CA -0.800 57.304 58.100 0.007 0.000 1.049 17 Y CB 1.708 40.176 38.460 0.012 0.000 1.296 17 Y HN -0.104 nan 8.280 nan 0.000 0.470 18 S N -0.231 115.601 115.700 0.220 0.000 2.689 18 S HA 0.294 4.764 4.470 -0.000 0.000 0.306 18 S C 0.401 175.102 174.600 0.168 0.000 1.104 18 S CA -0.885 57.415 58.200 0.166 0.000 0.973 18 S CB 1.816 65.091 63.200 0.126 0.000 1.121 18 S HN 0.727 nan 8.310 nan 0.000 0.523 19 Q N 0.037 119.947 119.800 0.184 0.000 2.245 19 Q HA 0.305 4.644 4.340 -0.000 0.000 0.201 19 Q C 0.260 176.326 176.000 0.111 0.000 0.955 19 Q CA 0.647 56.535 55.803 0.142 0.000 0.870 19 Q CB 0.174 28.999 28.738 0.145 0.000 0.945 19 Q HN 0.690 nan 8.270 nan 0.000 0.461 20 A N -0.050 122.843 122.820 0.122 0.000 2.590 20 A HA 0.564 4.883 4.320 -0.000 0.000 0.294 20 A C -1.871 175.786 177.584 0.121 0.000 1.046 20 A CA -0.730 51.373 52.037 0.109 0.000 0.684 20 A CB 0.957 19.997 19.000 0.066 0.000 1.279 20 A HN 0.063 nan 8.150 nan 0.000 0.415 21 I N 0.956 121.614 120.570 0.147 0.000 2.689 21 I HA 0.576 4.745 4.170 -0.000 0.000 0.299 21 I C -0.098 176.136 176.117 0.194 0.000 1.059 21 I CA -0.500 60.890 61.300 0.151 0.000 1.055 21 I CB 2.159 40.237 38.000 0.130 0.000 1.243 21 I HN 0.518 nan 8.210 nan 0.000 0.425 22 K N 4.326 124.830 120.400 0.173 0.000 2.450 22 K HA 0.870 5.190 4.320 -0.000 0.000 0.257 22 K C -1.739 174.990 176.600 0.216 0.000 0.953 22 K CA -0.436 55.969 56.287 0.196 0.000 0.844 22 K CB 1.691 34.291 32.500 0.166 0.000 1.103 22 K HN 0.754 nan 8.250 nan 0.000 0.429 23 A N 2.892 125.891 122.820 0.297 0.000 2.374 23 A HA 0.726 5.046 4.320 -0.000 0.000 0.305 23 A C 0.338 178.126 177.584 0.340 0.000 1.053 23 A CA 0.091 52.290 52.037 0.270 0.000 0.726 23 A CB 1.129 20.280 19.000 0.252 0.000 1.229 23 A HN 0.910 nan 8.150 nan 0.000 0.431 24 G N 2.152 111.109 108.800 0.261 0.000 2.574 24 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.286 24 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.286 24 G C 0.402 175.445 174.900 0.238 0.000 1.212 24 G CA 0.692 45.961 45.100 0.282 0.000 0.979 24 G HN 1.081 nan 8.290 nan 0.000 0.557 25 N N 0.044 118.873 118.700 0.214 0.000 2.268 25 N HA 0.347 5.087 4.740 -0.000 0.000 0.204 25 N C -0.276 175.174 175.510 -0.100 0.000 1.124 25 N CA -0.204 52.813 53.050 -0.054 0.000 0.838 25 N CB 0.313 38.594 38.487 -0.343 0.000 0.994 25 N HN 0.248 nan 8.380 nan 0.000 0.489 26 F N 0.996 121.078 119.950 0.220 0.000 2.425 26 F HA 0.410 4.937 4.527 -0.000 0.000 0.331 26 F C -0.032 175.740 175.800 -0.046 0.000 1.085 26 F CA -1.029 57.015 58.000 0.074 0.000 1.028 26 F CB 1.203 40.172 39.000 -0.052 0.000 1.177 26 F HN -0.142 nan 8.300 nan 0.000 0.487 27 L N 3.813 124.958 121.223 -0.130 0.000 2.316 27 L HA 0.522 4.861 4.340 -0.000 0.000 0.280 27 L C -1.565 175.153 176.870 -0.254 0.000 1.006 27 L CA -0.384 54.291 54.840 -0.276 0.000 0.836 27 L CB 0.307 41.853 42.059 -0.856 0.000 1.221 27 L HN 0.359 nan 8.230 nan 0.000 0.418 28 F N 5.994 125.949 119.950 0.009 0.000 2.385 28 F HA 0.495 5.022 4.527 -0.000 0.000 0.360 28 F C 0.218 176.022 175.800 0.006 0.000 1.122 28 F CA -0.308 57.707 58.000 0.025 0.000 1.090 28 F CB 0.943 39.965 39.000 0.037 0.000 1.150 28 F HN 0.248 nan 8.300 nan 0.000 0.472 29 I N 3.708 124.358 120.570 0.133 0.000 2.336 29 I HA 0.444 4.614 4.170 -0.000 0.000 0.292 29 I C 0.358 176.537 176.117 0.104 0.000 0.991 29 I CA -0.897 60.458 61.300 0.091 0.000 1.227 29 I CB 1.331 39.357 38.000 0.044 0.000 1.366 29 I HN 0.637 nan 8.210 nan 0.000 0.466 30 A N 4.623 127.495 122.820 0.087 0.000 2.466 30 A HA 0.418 4.738 4.320 -0.000 0.000 0.238 30 A C 0.827 178.437 177.584 0.043 0.000 1.074 30 A CA -0.050 52.021 52.037 0.057 0.000 0.774 30 A CB 0.036 19.059 19.000 0.038 0.000 1.015 30 A HN 0.903 nan 8.150 nan 0.000 0.498 31 G N 1.565 110.379 108.800 0.023 0.000 2.254 31 G HA2 0.399 4.359 3.960 -0.000 0.000 0.253 31 G HA3 0.399 4.359 3.960 -0.000 0.000 0.253 31 G C 0.033 174.939 174.900 0.010 0.000 1.246 31 G CA -0.164 44.953 45.100 0.029 0.000 0.946 31 G HN 0.676 nan 8.290 nan 0.000 0.474 32 Q N 0.411 120.228 119.800 0.028 0.000 2.205 32 Q HA 0.618 4.958 4.340 -0.000 0.000 0.249 32 Q C 0.516 176.521 176.000 0.007 0.000 0.948 32 Q CA -0.495 55.315 55.803 0.012 0.000 0.895 32 Q CB 2.299 31.043 28.738 0.010 0.000 1.249 32 Q HN 0.734 nan 8.270 nan 0.000 0.458 33 I N -2.401 118.166 120.570 -0.005 0.000 2.934 33 I HA 0.509 4.679 4.170 -0.000 0.000 0.306 33 I C -2.462 173.646 176.117 -0.015 0.000 1.110 33 I CA -2.853 58.443 61.300 -0.007 0.000 1.019 33 I CB 2.677 40.671 38.000 -0.010 0.000 1.227 33 I HN 0.254 nan 8.210 nan 0.000 0.434 34 P HA 0.213 nan 4.420 nan 0.000 0.258 34 P C -0.727 176.563 177.300 -0.017 0.000 1.563 34 P CA 0.696 63.782 63.100 -0.024 0.000 1.241 34 P CB -0.252 31.433 31.700 -0.025 0.000 1.811 35 I N 2.029 122.590 120.570 -0.016 0.000 2.499 35 I HA 0.191 4.361 4.170 -0.000 0.000 0.288 35 I C 0.230 176.340 176.117 -0.013 0.000 1.048 35 I CA -0.945 60.349 61.300 -0.010 0.000 1.062 35 I CB 2.195 40.193 38.000 -0.005 0.000 1.238 35 I HN 0.051 nan 8.210 nan 0.000 0.426 36 D N 9.245 129.638 120.400 -0.011 0.000 2.401 36 D HA 0.094 4.734 4.640 -0.000 0.000 0.254 36 D C -1.294 175.000 176.300 -0.011 0.000 1.192 36 D CA -1.471 52.522 54.000 -0.012 0.000 0.885 36 D CB 1.200 41.995 40.800 -0.009 0.000 1.147 36 D HN 0.253 nan 8.370 nan 0.000 0.478 37 P HA -0.196 nan 4.420 nan 0.000 0.221 37 P C 0.923 178.212 177.300 -0.018 0.000 1.145 37 P CA 1.369 64.455 63.100 -0.024 0.000 0.795 37 P CB 0.114 31.790 31.700 -0.039 0.000 0.775 38 K N 0.529 120.921 120.400 -0.013 0.000 2.020 38 K HA -0.038 4.282 4.320 -0.000 0.000 0.206 38 K C 2.283 178.882 176.600 -0.002 0.000 1.038 38 K CA 2.137 58.419 56.287 -0.008 0.000 0.947 38 K CB -2.002 30.493 32.500 -0.007 0.000 0.744 38 K HN 0.402 nan 8.250 nan 0.000 0.442 39 T N -3.904 110.649 114.554 -0.001 0.000 2.684 39 T HA 0.331 4.681 4.350 -0.000 0.000 0.253 39 T C 1.744 176.448 174.700 0.006 0.000 1.057 39 T CA 1.969 64.070 62.100 0.002 0.000 1.162 39 T CB -0.300 68.569 68.868 0.001 0.000 0.868 39 T HN 1.562 nan 8.240 nan 0.000 0.409 40 G N 1.012 109.814 108.800 0.004 0.000 2.148 40 G HA2 0.016 3.976 3.960 -0.000 0.000 0.120 40 G HA3 0.016 3.976 3.960 -0.000 0.000 0.120 40 G C -0.399 174.505 174.900 0.006 0.000 1.034 40 G CA -0.183 44.922 45.100 0.008 0.000 0.710 40 G HN 0.656 nan 8.290 nan 0.000 0.495 41 E N -0.270 119.931 120.200 0.002 0.000 2.299 41 E HA 0.571 4.921 4.350 -0.000 0.000 0.260 41 E C 0.457 177.055 176.600 -0.002 0.000 0.944 41 E CA -1.034 55.367 56.400 0.001 0.000 0.815 41 E CB 1.455 31.156 29.700 0.001 0.000 1.252 41 E HN 0.257 nan 8.360 nan 0.000 0.418 42 I N 1.465 122.034 120.570 -0.002 0.000 2.517 42 I HA -0.072 4.098 4.170 -0.000 0.000 0.285 42 I C 1.645 177.759 176.117 -0.006 0.000 1.106 42 I CA -0.007 61.290 61.300 -0.005 0.000 1.402 42 I CB 0.637 38.635 38.000 -0.003 0.000 1.399 42 I HN 0.226 nan 8.210 nan 0.000 0.535 43 V N 7.154 127.063 119.914 -0.009 0.000 3.467 43 V HA -0.244 3.875 4.120 -0.000 0.000 0.275 43 V C 1.664 177.752 176.094 -0.009 0.000 1.230 43 V CA 1.744 64.037 62.300 -0.010 0.000 1.196 43 V CB -1.907 29.907 31.823 -0.016 0.000 0.884 43 V HN 1.099 nan 8.190 nan 0.000 0.548 44 K N -1.087 119.309 120.400 -0.006 0.000 1.699 44 K HA -0.217 4.103 4.320 -0.000 0.000 0.127 44 K C 1.963 178.560 176.600 -0.006 0.000 1.157 44 K CA 1.763 58.048 56.287 -0.004 0.000 0.341 44 K CB -2.369 30.129 32.500 -0.003 0.000 0.645 44 K HN 2.350 nan 8.250 nan 0.000 0.848 45 G N 0.038 108.836 108.800 -0.005 0.000 2.907 45 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.242 45 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.242 45 G C 0.401 175.299 174.900 -0.003 0.000 1.448 45 G CA 1.402 46.499 45.100 -0.005 0.000 0.911 45 G HN 2.151 nan 8.290 nan 0.000 0.553 46 D N -1.279 119.120 120.400 -0.002 0.000 2.119 46 D HA 0.254 4.894 4.640 -0.000 0.000 0.231 46 D C 2.048 178.350 176.300 0.003 0.000 0.999 46 D CA 1.975 55.977 54.000 0.003 0.000 0.915 46 D CB 0.003 40.806 40.800 0.005 0.000 1.017 46 D HN 0.750 nan 8.370 nan 0.000 0.437 47 I N -2.143 118.429 120.570 0.002 0.000 5.010 47 I HA 0.247 4.417 4.170 -0.000 0.000 0.329 47 I C 1.844 177.952 176.117 -0.016 0.000 1.229 47 I CA 0.953 62.255 61.300 0.004 0.000 1.399 47 I CB -0.368 37.647 38.000 0.024 0.000 1.459 47 I HN 0.075 nan 8.210 nan 0.000 0.500 48 K N -0.061 120.330 120.400 -0.015 0.000 2.211 48 K HA -0.061 4.259 4.320 -0.000 0.000 0.203 48 K C 1.727 178.295 176.600 -0.053 0.000 1.050 48 K CA 1.923 58.188 56.287 -0.038 0.000 0.945 48 K CB -1.064 31.428 32.500 -0.014 0.000 0.732 48 K HN 0.537 nan 8.250 nan 0.000 0.451 49 D N -0.009 120.370 120.400 -0.035 0.000 2.194 49 D HA -0.079 4.561 4.640 -0.000 0.000 0.204 49 D C 2.013 178.284 176.300 -0.048 0.000 0.964 49 D CA 0.859 54.839 54.000 -0.034 0.000 0.846 49 D CB 0.275 41.063 40.800 -0.020 0.000 0.962 49 D HN 0.614 nan 8.370 nan 0.000 0.490 50 Q N -0.269 119.503 119.800 -0.047 0.000 2.137 50 Q HA -0.048 4.292 4.340 -0.000 0.000 0.198 50 Q C 2.105 178.050 176.000 -0.092 0.000 0.960 50 Q CA 0.948 56.721 55.803 -0.051 0.000 0.847 50 Q CB 0.056 28.777 28.738 -0.027 0.000 0.915 50 Q HN 0.164 nan 8.270 nan 0.000 0.448 51 T N 1.035 115.513 114.554 -0.127 0.000 2.674 51 T HA -0.192 4.158 4.350 -0.000 0.000 0.265 51 T C 1.757 176.280 174.700 -0.295 0.000 1.039 51 T CA 1.564 63.519 62.100 -0.242 0.000 1.150 51 T CB -0.230 68.412 68.868 -0.376 0.000 0.864 51 T HN 0.158 nan 8.240 nan 0.000 0.427 52 R N 1.086 121.455 120.500 -0.219 0.000 2.112 52 R HA -0.188 4.152 4.340 -0.000 0.000 0.242 52 R C 2.505 178.705 176.300 -0.168 0.000 1.137 52 R CA 1.963 57.965 56.100 -0.164 0.000 0.944 52 R CB -0.605 29.664 30.300 -0.051 0.000 0.857 52 R HN 0.269 nan 8.270 nan 0.000 0.435 53 Q N -0.332 119.398 119.800 -0.116 0.000 2.050 53 Q HA -0.080 4.260 4.340 -0.000 0.000 0.202 53 Q C 2.014 177.943 176.000 -0.118 0.000 0.980 53 Q CA 2.199 57.949 55.803 -0.088 0.000 0.840 53 Q CB -0.342 28.362 28.738 -0.056 0.000 0.898 53 Q HN 0.263 nan 8.270 nan 0.000 0.424 54 V N 0.631 120.465 119.914 -0.134 0.000 2.252 54 V HA -0.322 3.798 4.120 -0.000 0.000 0.249 54 V C 2.381 178.366 176.094 -0.182 0.000 1.056 54 V CA 2.090 64.318 62.300 -0.119 0.000 1.022 54 V CB -0.776 30.992 31.823 -0.092 0.000 0.641 54 V HN 0.396 nan 8.190 nan 0.000 0.445 55 L N -0.434 120.570 121.223 -0.366 0.000 2.013 55 L HA -0.208 4.131 4.340 -0.000 0.000 0.212 55 L C 2.779 179.414 176.870 -0.392 0.000 1.073 55 L CA 1.607 56.078 54.840 -0.615 0.000 0.753 55 L CB -0.720 40.408 42.059 -1.551 0.000 0.890 55 L HN 0.348 nan 8.230 nan 0.000 0.432 56 E N 0.009 120.062 120.200 -0.245 0.000 2.077 56 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 56 E C 1.977 178.562 176.600 -0.024 0.000 0.989 56 E CA 0.877 57.268 56.400 -0.015 0.000 0.800 56 E CB -0.427 29.289 29.700 0.027 0.000 0.746 56 E HN 0.510 nan 8.360 nan 0.000 0.452 57 N N 0.849 119.518 118.700 -0.051 0.000 2.149 57 N HA -0.136 4.604 4.740 -0.000 0.000 0.188 57 N C 2.085 177.585 175.510 -0.017 0.000 1.019 57 N CA 0.897 53.928 53.050 -0.032 0.000 0.857 57 N CB -0.194 38.273 38.487 -0.033 0.000 0.997 57 N HN 0.256 nan 8.380 nan 0.000 0.426 58 I N 1.176 121.735 120.570 -0.019 0.000 2.286 58 I HA -0.193 3.977 4.170 -0.000 0.000 0.245 58 I C 2.545 178.683 176.117 0.036 0.000 1.104 58 I CA 0.843 62.153 61.300 0.015 0.000 1.397 58 I CB -0.233 37.788 38.000 0.034 0.000 1.072 58 I HN 0.071 nan 8.210 nan 0.000 0.417 59 K N 1.683 122.109 120.400 0.043 0.000 2.032 59 K HA -0.238 4.082 4.320 -0.000 0.000 0.209 59 K C 2.230 178.860 176.600 0.051 0.000 1.048 59 K CA 1.792 58.123 56.287 0.074 0.000 0.927 59 K CB -0.152 32.413 32.500 0.109 0.000 0.712 59 K HN 0.299 nan 8.250 nan 0.000 0.441 60 A N 1.605 124.441 122.820 0.027 0.000 1.883 60 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 60 A C 2.124 179.712 177.584 0.006 0.000 1.186 60 A CA 1.819 53.861 52.037 0.007 0.000 0.624 60 A CB -0.639 18.350 19.000 -0.017 0.000 0.822 60 A HN 0.389 nan 8.150 nan 0.000 0.444 61 I N -0.703 119.871 120.570 0.006 0.000 2.315 61 I HA -0.237 3.932 4.170 -0.000 0.000 0.248 61 I C 2.412 178.548 176.117 0.030 0.000 1.117 61 I CA 0.882 62.188 61.300 0.010 0.000 1.404 61 I CB -0.430 37.577 38.000 0.012 0.000 1.071 61 I HN 0.284 nan 8.210 nan 0.000 0.419 62 L N 0.729 121.979 121.223 0.044 0.000 1.970 62 L HA -0.241 4.099 4.340 -0.000 0.000 0.212 62 L C 2.680 179.634 176.870 0.140 0.000 1.071 62 L CA 1.752 56.640 54.840 0.079 0.000 0.751 62 L CB -0.569 41.555 42.059 0.108 0.000 0.889 62 L HN 0.247 nan 8.230 nan 0.000 0.432 63 E N 0.008 120.268 120.200 0.100 0.000 2.049 63 E HA -0.293 4.057 4.350 -0.000 0.000 0.198 63 E C 2.211 178.861 176.600 0.084 0.000 1.007 63 E CA 1.260 57.711 56.400 0.085 0.000 0.809 63 E CB -0.395 29.333 29.700 0.048 0.000 0.749 63 E HN 0.534 nan 8.360 nan 0.000 0.450 64 A N 1.287 124.145 122.820 0.063 0.000 2.042 64 A HA -0.193 4.127 4.320 -0.000 0.000 0.222 64 A C 2.221 179.865 177.584 0.099 0.000 1.167 64 A CA 1.886 53.958 52.037 0.059 0.000 0.649 64 A CB -0.518 18.503 19.000 0.034 0.000 0.809 64 A HN 0.307 nan 8.150 nan 0.000 0.457 65 A N -2.119 120.795 122.820 0.156 0.000 2.387 65 A HA 0.470 4.790 4.320 -0.000 0.000 0.234 65 A C 1.500 179.267 177.584 0.306 0.000 1.253 65 A CA 0.946 53.132 52.037 0.247 0.000 0.894 65 A CB -0.803 18.356 19.000 0.265 0.000 0.963 65 A HN 1.961 nan 8.150 nan 0.000 0.508 66 G N -1.191 107.713 108.800 0.172 0.000 2.225 66 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.264 66 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.264 66 G C -0.325 174.534 174.900 -0.070 0.000 1.060 66 G CA 0.351 45.468 45.100 0.028 0.000 0.833 66 G HN 0.474 nan 8.290 nan 0.000 0.498 67 Y N 0.466 120.763 120.300 -0.004 0.000 2.446 67 Y HA 0.615 5.165 4.550 -0.000 0.000 0.345 67 Y C 0.960 176.865 175.900 0.010 0.000 0.984 67 Y CA -0.132 57.965 58.100 -0.005 0.000 1.058 67 Y CB 2.071 40.533 38.460 0.004 0.000 1.220 67 Y HN 0.399 nan 8.280 nan 0.000 0.455 68 S N 1.452 117.234 115.700 0.137 0.000 2.690 68 S HA 0.414 4.884 4.470 -0.000 0.000 0.285 68 S C 0.620 175.306 174.600 0.143 0.000 1.135 68 S CA -0.771 57.490 58.200 0.101 0.000 1.020 68 S CB 0.721 63.950 63.200 0.049 0.000 1.159 68 S HN 0.764 nan 8.310 nan 0.000 0.534 69 L N 0.828 122.125 121.223 0.124 0.000 2.341 69 L HA 0.082 4.422 4.340 -0.000 0.000 0.214 69 L C 2.096 179.082 176.870 0.195 0.000 1.115 69 L CA 1.050 55.993 54.840 0.173 0.000 0.820 69 L CB -0.600 41.543 42.059 0.140 0.000 0.944 69 L HN 0.897 nan 8.230 nan 0.000 0.452 70 N N -1.787 116.995 118.700 0.135 0.000 2.434 70 N HA -0.125 4.614 4.740 -0.000 0.000 0.196 70 N C 0.758 176.335 175.510 0.113 0.000 1.183 70 N CA 0.300 53.423 53.050 0.121 0.000 0.849 70 N CB 0.195 38.728 38.487 0.078 0.000 0.992 70 N HN 0.074 nan 8.380 nan 0.000 0.460 71 D N -0.204 120.279 120.400 0.139 0.000 2.360 71 D HA 0.067 4.707 4.640 -0.000 0.000 0.210 71 D C -0.207 176.189 176.300 0.159 0.000 1.047 71 D CA 0.133 54.225 54.000 0.154 0.000 0.854 71 D CB 0.579 41.518 40.800 0.231 0.000 0.936 71 D HN 0.081 nan 8.370 nan 0.000 0.514 72 V N 3.434 123.435 119.914 0.146 0.000 2.446 72 V HA 0.036 4.155 4.120 -0.000 0.000 0.276 72 V C 1.838 177.956 176.094 0.040 0.000 1.030 72 V CA 0.047 62.403 62.300 0.093 0.000 1.033 72 V CB 0.497 32.395 31.823 0.124 0.000 0.993 72 V HN 0.121 nan 8.190 nan 0.000 0.477 73 I N 1.492 122.081 120.570 0.031 0.000 3.081 73 I HA 0.373 4.543 4.170 -0.000 0.000 0.274 73 I C 0.856 176.951 176.117 -0.037 0.000 1.178 73 I CA 0.551 61.860 61.300 0.015 0.000 1.460 73 I CB 0.219 38.256 38.000 0.062 0.000 1.137 73 I HN 0.507 nan 8.210 nan 0.000 0.443 74 K N 1.482 121.848 120.400 -0.057 0.000 2.501 74 K HA 0.674 4.994 4.320 -0.000 0.000 0.252 74 K C -1.872 174.662 176.600 -0.110 0.000 0.934 74 K CA -0.541 55.696 56.287 -0.083 0.000 0.797 74 K CB 3.444 35.916 32.500 -0.047 0.000 1.270 74 K HN -0.020 nan 8.250 nan 0.000 0.431 75 V N 1.991 121.815 119.914 -0.149 0.000 2.841 75 V HA 0.476 4.595 4.120 -0.000 0.000 0.310 75 V C -1.014 175.008 176.094 -0.121 0.000 1.090 75 V CA -0.681 61.531 62.300 -0.147 0.000 0.930 75 V CB 2.372 34.016 31.823 -0.299 0.000 1.014 75 V HN 0.888 nan 8.190 nan 0.000 0.425 76 T N 3.290 117.796 114.554 -0.080 0.000 2.840 76 T HA 0.547 4.897 4.350 -0.000 0.000 0.287 76 T C -0.706 173.898 174.700 -0.160 0.000 0.991 76 T CA -0.388 61.611 62.100 -0.168 0.000 0.964 76 T CB 1.541 70.303 68.868 -0.176 0.000 0.954 76 T HN 0.345 nan 8.240 nan 0.000 0.438 77 V N 4.515 124.300 119.914 -0.216 0.000 2.347 77 V HA 0.398 4.518 4.120 -0.000 0.000 0.280 77 V C -1.117 174.867 176.094 -0.183 0.000 1.021 77 V CA -0.890 61.361 62.300 -0.083 0.000 0.847 77 V CB 0.447 32.279 31.823 0.015 0.000 0.990 77 V HN 0.812 nan 8.190 nan 0.000 0.444 78 Y N 5.308 125.627 120.300 0.031 0.000 2.385 78 Y HA 0.597 5.147 4.550 -0.000 0.000 0.341 78 Y C 0.188 176.104 175.900 0.027 0.000 0.965 78 Y CA -0.494 57.617 58.100 0.019 0.000 1.180 78 Y CB 1.040 39.505 38.460 0.009 0.000 1.139 78 Y HN 0.433 nan 8.280 nan 0.000 0.502 79 L N 3.150 124.456 121.223 0.139 0.000 2.352 79 L HA 0.452 4.792 4.340 -0.000 0.000 0.269 79 L C 1.213 178.135 176.870 0.086 0.000 1.034 79 L CA -0.750 54.150 54.840 0.100 0.000 0.806 79 L CB 2.060 44.160 42.059 0.070 0.000 1.244 79 L HN 0.613 nan 8.230 nan 0.000 0.447 80 K N -0.148 120.291 120.400 0.064 0.000 2.121 80 K HA 0.055 4.375 4.320 -0.000 0.000 0.203 80 K C -0.036 176.587 176.600 0.037 0.000 1.041 80 K CA 0.703 57.018 56.287 0.047 0.000 0.969 80 K CB 0.497 33.019 32.500 0.036 0.000 0.799 80 K HN 0.690 nan 8.250 nan 0.000 0.456 92 Y N 2.021 122.390 120.300 0.115 0.000 2.128 92 Y HA -0.095 4.455 4.550 -0.000 0.000 0.284 92 Y C 2.690 178.690 175.900 0.167 0.000 1.154 92 Y CA 2.301 60.491 58.100 0.150 0.000 1.149 92 Y CB -0.698 37.884 38.460 0.203 0.000 0.976 92 Y HN 0.337 nan 8.280 nan 0.000 0.505 93 A N 0.328 123.340 122.820 0.319 0.000 1.986 93 A HA -0.281 4.039 4.320 -0.000 0.000 0.220 93 A C 2.026 179.672 177.584 0.104 0.000 1.171 93 A CA 2.015 54.175 52.037 0.206 0.000 0.640 93 A CB -0.695 18.391 19.000 0.143 0.000 0.811 93 A HN 0.600 nan 8.150 nan 0.000 0.451 94 E N -1.508 118.726 120.200 0.057 0.000 2.085 94 E HA -0.228 4.122 4.350 -0.000 0.000 0.194 94 E C 1.639 178.059 176.600 -0.301 0.000 0.994 94 E CA 1.765 58.084 56.400 -0.135 0.000 0.801 94 E CB -0.292 29.271 29.700 -0.229 0.000 0.743 94 E HN 0.884 nan 8.360 nan 0.000 0.453 95 Y N -1.620 118.497 120.300 -0.306 0.000 2.476 95 Y HA 0.047 4.597 4.550 -0.000 0.000 0.283 95 Y C 1.242 176.879 175.900 -0.438 0.000 1.109 95 Y CA 0.293 58.100 58.100 -0.488 0.000 1.246 95 Y CB 0.298 38.256 38.460 -0.837 0.000 1.068 95 Y HN -0.006 nan 8.280 nan 0.000 0.552 96 F N -1.214 118.859 119.950 0.206 0.000 2.654 96 F HA 0.415 4.941 4.527 -0.000 0.000 0.303 96 F C 1.956 177.809 175.800 0.087 0.000 1.099 96 F CA -0.593 57.488 58.000 0.135 0.000 1.270 96 F CB -0.643 38.439 39.000 0.137 0.000 1.024 96 F HN -0.045 nan 8.300 nan 0.000 0.548 97 G N 0.907 109.814 108.800 0.178 0.000 2.599 97 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.219 97 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.219 97 G C 1.391 176.353 174.900 0.104 0.000 1.193 97 G CA 1.075 46.244 45.100 0.114 0.000 0.778 97 G HN 0.444 nan 8.290 nan 0.000 0.589 98 E N -0.146 120.108 120.200 0.090 0.000 2.479 98 E HA 0.179 4.529 4.350 -0.000 0.000 0.193 98 E C 2.036 178.693 176.600 0.094 0.000 1.049 98 E CA 0.240 56.684 56.400 0.074 0.000 0.870 98 E CB 0.437 30.166 29.700 0.049 0.000 0.944 98 E HN 0.384 nan 8.360 nan 0.000 0.492 99 S N 0.555 116.342 115.700 0.145 0.000 2.452 99 S HA -0.025 4.444 4.470 -0.000 0.000 0.225 99 S C 0.217 174.875 174.600 0.098 0.000 1.057 99 S CA 0.016 58.304 58.200 0.146 0.000 0.949 99 S CB 0.170 63.518 63.200 0.247 0.000 0.836 99 S HN -0.021 nan 8.310 nan 0.000 0.518 100 K N 1.756 122.224 120.400 0.114 0.000 4.040 100 K HA -0.120 4.200 4.320 -0.000 0.000 0.279 100 K C -2.814 173.776 176.600 -0.017 0.000 0.890 100 K CA 0.344 56.659 56.287 0.048 0.000 0.782 100 K CB -2.175 30.351 32.500 0.042 0.000 1.613 100 K HN 0.404 nan 8.250 nan 0.000 0.440 101 P HA 0.253 nan 4.420 nan 0.000 0.278 101 P C -0.537 176.683 177.300 -0.134 0.000 1.266 101 P CA -0.663 62.357 63.100 -0.133 0.000 0.807 101 P CB 0.704 32.249 31.700 -0.259 0.000 1.094 102 A N 1.373 124.129 122.820 -0.107 0.000 2.450 102 A HA 0.314 4.633 4.320 -0.000 0.000 0.255 102 A C 0.293 177.798 177.584 -0.130 0.000 1.096 102 A CA 0.105 52.086 52.037 -0.094 0.000 0.778 102 A CB -0.436 18.524 19.000 -0.067 0.000 1.031 102 A HN 0.504 nan 8.150 nan 0.000 0.494 103 R N 1.881 122.304 120.500 -0.127 0.000 2.740 103 R HA 0.694 5.034 4.340 -0.000 0.000 0.282 103 R C -1.787 174.435 176.300 -0.131 0.000 0.969 103 R CA -0.457 55.553 56.100 -0.149 0.000 0.918 103 R CB 1.863 32.064 30.300 -0.165 0.000 1.175 103 R HN 0.505 nan 8.270 nan 0.000 0.464 104 V N 1.932 121.756 119.914 -0.150 0.000 2.686 104 V HA 0.745 4.865 4.120 -0.000 0.000 0.306 104 V C -1.003 174.971 176.094 -0.200 0.000 1.065 104 V CA -0.777 61.429 62.300 -0.157 0.000 0.894 104 V CB 1.767 33.495 31.823 -0.159 0.000 1.004 104 V HN 0.930 nan 8.190 nan 0.000 0.424 105 A N 4.124 126.838 122.820 -0.177 0.000 2.398 105 A HA 0.977 5.296 4.320 -0.000 0.000 0.301 105 A C -0.892 176.606 177.584 -0.142 0.000 1.041 105 A CA -0.479 51.452 52.037 -0.177 0.000 0.711 105 A CB 1.966 20.880 19.000 -0.144 0.000 1.240 105 A HN 1.720 nan 8.150 nan 0.000 0.420 106 V N -0.985 118.842 119.914 -0.144 0.000 3.159 106 V HA 0.733 4.852 4.120 -0.000 0.000 0.308 106 V C -0.745 175.349 176.094 -0.000 0.000 1.190 106 V CA -0.853 61.408 62.300 -0.065 0.000 1.037 106 V CB 1.911 33.702 31.823 -0.053 0.000 1.060 106 V HN 0.830 nan 8.190 nan 0.000 0.437 107 E N 0.865 121.080 120.200 0.025 0.000 2.166 107 E HA 0.632 4.982 4.350 -0.000 0.000 0.275 107 E C -0.668 175.974 176.600 0.069 0.000 0.941 107 E CA -0.453 55.975 56.400 0.048 0.000 0.784 107 E CB 2.188 31.906 29.700 0.029 0.000 1.115 107 E HN 0.934 nan 8.360 nan 0.000 0.399 108 V N 0.166 120.133 119.914 0.088 0.000 3.234 108 V HA 0.415 4.535 4.120 -0.000 0.000 0.317 108 V C 0.725 176.845 176.094 0.043 0.000 1.147 108 V CA -0.470 61.876 62.300 0.076 0.000 1.037 108 V CB 1.684 33.564 31.823 0.095 0.000 1.148 108 V HN 0.608 nan 8.190 nan 0.000 0.455 109 S N 0.012 115.728 115.700 0.027 0.000 2.406 109 S HA 0.325 4.794 4.470 -0.000 0.000 0.224 109 S C 0.642 175.249 174.600 0.011 0.000 1.030 109 S CA 0.562 58.772 58.200 0.016 0.000 0.958 109 S CB -0.262 62.944 63.200 0.009 0.000 0.811 109 S HN 0.746 nan 8.310 nan 0.000 0.489 110 R N -0.540 119.962 120.500 0.003 0.000 2.664 110 R HA 0.502 4.842 4.340 -0.000 0.000 0.266 110 R C -1.856 174.431 176.300 -0.021 0.000 1.046 110 R CA -0.426 55.671 56.100 -0.005 0.000 0.885 110 R CB 1.303 31.598 30.300 -0.009 0.000 1.254 110 R HN 0.078 nan 8.270 nan 0.000 0.465 111 L N 1.425 122.635 121.223 -0.021 0.000 2.279 111 L HA 0.638 4.977 4.340 -0.000 0.000 0.262 111 L C -2.216 174.631 176.870 -0.039 0.000 1.019 111 L CA -2.457 52.359 54.840 -0.041 0.000 0.823 111 L CB 1.862 43.908 42.059 -0.020 0.000 1.358 111 L HN 0.316 nan 8.230 nan 0.000 0.432 112 P HA -0.003 nan 4.420 nan 0.000 0.267 112 P C -0.585 176.700 177.300 -0.024 0.000 1.201 112 P CA 0.039 63.114 63.100 -0.042 0.000 0.775 112 P CB 0.219 31.887 31.700 -0.054 0.000 0.854 113 K N 0.989 121.379 120.400 -0.017 0.000 2.948 113 K HA -0.305 4.014 4.320 -0.000 0.000 0.253 113 K C 0.078 176.674 176.600 -0.007 0.000 0.970 113 K CA 0.985 57.267 56.287 -0.009 0.000 0.716 113 K CB -1.742 30.754 32.500 -0.007 0.000 1.249 113 K HN 0.601 nan 8.250 nan 0.000 0.483 114 D N -0.777 119.619 120.400 -0.008 0.000 2.686 114 D HA -0.166 4.474 4.640 -0.000 0.000 0.235 114 D C 0.065 176.365 176.300 -0.000 0.000 1.160 114 D CA 1.203 55.201 54.000 -0.004 0.000 0.645 114 D CB -0.644 40.155 40.800 -0.001 0.000 1.039 114 D HN 0.358 nan 8.370 nan 0.000 0.423 115 V N -2.647 117.266 119.914 -0.001 0.000 3.295 115 V HA 0.408 4.528 4.120 -0.000 0.000 0.308 115 V C 1.894 177.996 176.094 0.013 0.000 1.068 115 V CA -0.610 61.692 62.300 0.004 0.000 1.062 115 V CB 1.314 33.138 31.823 0.001 0.000 1.162 115 V HN 0.113 nan 8.190 nan 0.000 0.456 116 L N 0.957 122.190 121.223 0.017 0.000 2.477 116 L HA 0.500 4.840 4.340 -0.000 0.000 0.220 116 L C 0.625 177.523 176.870 0.047 0.000 1.106 116 L CA 0.812 55.669 54.840 0.029 0.000 0.851 116 L CB 0.307 42.381 42.059 0.025 0.000 0.994 116 L HN 0.662 nan 8.230 nan 0.000 0.462 117 I N -0.697 119.901 120.570 0.046 0.000 2.841 117 I HA 0.285 4.455 4.170 -0.000 0.000 0.298 117 I C -1.669 174.492 176.117 0.073 0.000 1.304 117 I CA -0.429 60.916 61.300 0.075 0.000 1.019 117 I CB 2.890 40.936 38.000 0.076 0.000 1.282 117 I HN -0.115 nan 8.210 nan 0.000 0.432 118 E N 7.138 127.412 120.200 0.124 0.000 2.263 118 E HA 0.558 4.907 4.350 -0.000 0.000 0.268 118 E C -1.810 174.911 176.600 0.202 0.000 0.884 118 E CA -0.604 55.867 56.400 0.119 0.000 0.766 118 E CB 2.132 31.873 29.700 0.069 0.000 1.196 118 E HN 0.514 nan 8.360 nan 0.000 0.416 119 I N 3.835 124.492 120.570 0.145 0.000 2.465 119 I HA 0.277 4.446 4.170 -0.000 0.000 0.291 119 I C -0.474 175.727 176.117 0.140 0.000 1.014 119 I CA -0.680 60.715 61.300 0.158 0.000 1.093 119 I CB 1.912 39.993 38.000 0.135 0.000 1.267 119 I HN 0.510 nan 8.210 nan 0.000 0.431 120 E N 6.042 126.337 120.200 0.157 0.000 2.238 120 E HA 0.864 5.214 4.350 -0.000 0.000 0.267 120 E C -1.497 175.157 176.600 0.091 0.000 0.887 120 E CA -0.926 55.553 56.400 0.132 0.000 0.769 120 E CB 2.569 32.374 29.700 0.176 0.000 1.187 120 E HN 0.597 nan 8.360 nan 0.000 0.416 121 A N 3.367 126.231 122.820 0.074 0.000 2.527 121 A HA 0.782 5.101 4.320 -0.000 0.000 0.293 121 A C -1.038 176.548 177.584 0.004 0.000 1.117 121 A CA -0.889 51.168 52.037 0.033 0.000 0.723 121 A CB 1.204 20.235 19.000 0.052 0.000 1.313 121 A HN 0.658 nan 8.150 nan 0.000 0.411 122 I N -0.168 120.372 120.570 -0.050 0.000 2.828 122 I HA 0.732 4.902 4.170 -0.000 0.000 0.302 122 I C 0.056 176.120 176.117 -0.089 0.000 1.101 122 I CA -0.667 60.538 61.300 -0.158 0.000 1.031 122 I CB 2.367 40.238 38.000 -0.215 0.000 1.231 122 I HN 0.885 nan 8.210 nan 0.000 0.427 123 A N 3.512 126.270 122.820 -0.103 0.000 2.594 123 A HA 0.727 5.047 4.320 -0.000 0.000 0.295 123 A C -2.168 175.473 177.584 0.096 0.000 1.071 123 A CA -0.395 51.652 52.037 0.016 0.000 0.685 123 A CB 1.700 20.690 19.000 -0.017 0.000 1.285 123 A HN 0.602 nan 8.150 nan 0.000 0.405 124 Y N 0.833 121.112 120.300 -0.034 0.000 2.509 124 Y HA 0.743 5.293 4.550 -0.000 0.000 0.341 124 Y C -0.297 175.585 175.900 -0.030 0.000 1.038 124 Y CA -0.935 57.020 58.100 -0.242 0.000 1.089 124 Y CB 1.853 40.077 38.460 -0.394 0.000 1.241 124 Y HN 0.687 nan 8.280 nan 0.000 0.468 125 K N 3.790 123.735 120.400 -0.758 0.000 2.652 125 K HA 0.306 4.625 4.320 -0.000 0.000 0.249 125 K C -1.183 174.866 176.600 -0.919 0.000 0.986 125 K CA -0.550 55.332 56.287 -0.674 0.000 0.867 125 K CB 0.978 33.057 32.500 -0.702 0.000 1.201 125 K HN 0.729 nan 8.250 nan 0.000 0.450 126 E N 0.000 119.768 120.200 -0.720 0.000 2.725 126 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 126 E CA 0.000 56.106 56.400 -0.489 0.000 0.976 126 E CB 0.000 29.581 29.700 -0.199 0.000 0.812 126 E HN 0.000 nan 8.360 nan 0.000 0.440