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 1kjt_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKFVYKEEHP FEKRRSEGEK IRKKYPDRVP VIVEKAPKAR IGDLDKKKYL DATA SEQUENCE VPSDLTVGQF YFLIRKRIHL RAEDALFFFV NNVIPPTSAT MGQLYQEHHE DATA SEQUENCE EDFFLYIAYS DESV 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.294 176.300 -0.009 0.000 1.140 1 M CA 0.000 55.275 55.300 -0.041 0.000 0.988 1 M CB 0.000 32.535 32.600 -0.108 0.000 1.302 2 K N 1.551 121.907 120.400 -0.073 0.000 2.471 2 K HA 0.544 4.831 4.320 -0.056 0.000 0.252 2 K C -1.866 174.691 176.600 -0.072 0.000 0.938 2 K CA -0.204 56.078 56.287 -0.008 0.000 0.796 2 K CB 1.588 34.079 32.500 -0.015 0.000 1.161 2 K HN 0.488 nan 8.250 nan 0.000 0.425 3 F N 1.192 121.163 119.950 0.035 0.000 2.421 3 F HA 0.083 4.582 4.527 -0.048 0.000 0.337 3 F C 1.866 177.744 175.800 0.130 0.000 1.105 3 F CA -0.675 57.392 58.000 0.112 0.000 1.049 3 F CB 1.491 40.593 39.000 0.170 0.000 1.139 3 F HN 0.354 nan 8.300 nan 0.000 0.479 4 V N 2.015 122.105 119.914 0.293 0.000 2.490 4 V HA -0.285 3.801 4.120 -0.056 0.000 0.250 4 V C 1.827 178.097 176.094 0.295 0.000 1.061 4 V CA 1.694 64.128 62.300 0.224 0.000 1.064 4 V CB -1.419 30.509 31.823 0.176 0.000 0.670 4 V HN 0.891 nan 8.190 nan 0.000 0.461 5 Y N 1.782 122.263 120.300 0.302 0.000 2.207 5 Y HA -0.131 4.384 4.550 -0.058 0.000 0.287 5 Y C 2.508 178.612 175.900 0.339 0.000 1.156 5 Y CA 2.284 60.567 58.100 0.305 0.000 1.182 5 Y CB -0.190 38.368 38.460 0.164 0.000 0.979 5 Y HN 0.240 nan 8.280 nan 0.000 0.521 6 K N -0.181 120.390 120.400 0.285 0.000 2.103 6 K HA -0.130 4.157 4.320 -0.056 0.000 0.204 6 K C 1.957 178.607 176.600 0.083 0.000 1.052 6 K CA 1.514 57.885 56.287 0.139 0.000 0.945 6 K CB -0.134 32.435 32.500 0.115 0.000 0.722 6 K HN 0.413 nan 8.250 nan 0.000 0.443 7 E N 0.943 121.202 120.200 0.098 0.000 2.110 7 E HA -0.184 4.133 4.350 -0.056 0.000 0.193 7 E C 1.744 178.330 176.600 -0.024 0.000 0.988 7 E CA 1.128 57.554 56.400 0.042 0.000 0.804 7 E CB 0.124 29.854 29.700 0.050 0.000 0.745 7 E HN 0.351 nan 8.360 nan 0.000 0.458 8 E N -0.341 119.815 120.200 -0.073 0.000 2.170 8 E HA -0.030 4.287 4.350 -0.056 0.000 0.191 8 E C -0.039 176.260 176.600 -0.502 0.000 0.981 8 E CA 0.488 56.704 56.400 -0.308 0.000 0.830 8 E CB 0.155 29.574 29.700 -0.467 0.000 0.775 8 E HN 0.346 nan 8.360 nan 0.000 0.470 9 H N 0.246 119.180 119.070 -0.227 0.000 2.505 9 H HA 0.298 4.820 4.556 -0.057 0.000 0.338 9 H C -2.494 172.757 175.328 -0.128 0.000 1.057 9 H CA -2.698 53.214 56.048 -0.227 0.000 1.202 9 H CB 0.838 30.340 29.762 -0.434 0.000 1.466 9 H HN -0.104 nan 8.280 nan 0.000 0.499 10 P HA -0.090 nan 4.420 nan 0.000 0.267 10 P C 0.751 178.122 177.300 0.118 0.000 1.200 10 P CA -0.068 63.083 63.100 0.085 0.000 0.772 10 P CB 0.590 32.333 31.700 0.072 0.000 0.855 11 F N 3.148 123.137 119.950 0.065 0.000 2.085 11 F HA -0.304 4.189 4.527 -0.057 0.000 0.299 11 F C 1.876 177.752 175.800 0.126 0.000 1.096 11 F CA 1.919 59.979 58.000 0.100 0.000 1.227 11 F CB -0.254 38.797 39.000 0.085 0.000 0.983 11 F HN 0.318 nan 8.300 nan 0.000 0.482 12 E N 0.442 120.683 120.200 0.069 0.000 2.118 12 E HA -0.186 4.130 4.350 -0.056 0.000 0.195 12 E C 2.117 178.685 176.600 -0.055 0.000 0.992 12 E CA 1.133 57.532 56.400 -0.000 0.000 0.804 12 E CB -0.314 29.457 29.700 0.118 0.000 0.741 12 E HN 0.447 nan 8.360 nan 0.000 0.458 13 K N 0.631 121.024 120.400 -0.013 0.000 2.062 13 K HA -0.003 4.284 4.320 -0.056 0.000 0.205 13 K C 2.183 178.792 176.600 0.014 0.000 1.051 13 K CA 0.659 56.954 56.287 0.014 0.000 0.941 13 K CB -0.300 32.230 32.500 0.050 0.000 0.719 13 K HN 0.111 nan 8.250 nan 0.000 0.440 14 R N 0.656 121.144 120.500 -0.020 0.000 2.073 14 R HA -0.022 4.285 4.340 -0.056 0.000 0.234 14 R C 2.440 178.842 176.300 0.170 0.000 1.134 14 R CA 0.845 57.008 56.100 0.106 0.000 0.952 14 R CB -0.277 30.083 30.300 0.100 0.000 0.850 14 R HN 0.060 nan 8.270 nan 0.000 0.433 15 R N 0.893 121.306 120.500 -0.146 0.000 2.105 15 R HA -0.099 4.208 4.340 -0.056 0.000 0.239 15 R C 2.169 178.452 176.300 -0.029 0.000 1.135 15 R CA 1.750 57.793 56.100 -0.094 0.000 0.967 15 R CB -0.470 29.564 30.300 -0.443 0.000 0.861 15 R HN 0.139 nan 8.270 nan 0.000 0.442 16 S N 0.407 116.080 115.700 -0.044 0.000 2.356 16 S HA -0.173 4.263 4.470 -0.056 0.000 0.223 16 S C 1.856 176.430 174.600 -0.044 0.000 1.032 16 S CA 1.692 59.865 58.200 -0.045 0.000 1.005 16 S CB -0.171 63.020 63.200 -0.016 0.000 0.867 16 S HN 0.567 nan 8.310 nan 0.000 0.449 17 E N -0.178 120.049 120.200 0.045 0.000 2.072 17 E HA -0.034 4.283 4.350 -0.056 0.000 0.190 17 E C 2.139 178.721 176.600 -0.030 0.000 0.982 17 E CA 1.053 57.496 56.400 0.072 0.000 0.803 17 E CB -0.748 29.081 29.700 0.215 0.000 0.755 17 E HN 0.575 nan 8.360 nan 0.000 0.453 18 G N 0.990 109.769 108.800 -0.035 0.000 2.421 18 G HA2 -0.343 3.584 3.960 -0.056 0.000 0.216 18 G HA3 -0.343 3.584 3.960 -0.056 0.000 0.216 18 G C 1.462 176.088 174.900 -0.458 0.000 1.171 18 G CA 0.924 45.764 45.100 -0.433 0.000 0.775 18 G HN 0.419 nan 8.290 nan 0.000 0.543 19 E N 0.176 120.009 120.200 -0.612 0.000 2.153 19 E HA -0.134 4.183 4.350 -0.056 0.000 0.194 19 E C 2.308 178.593 176.600 -0.524 0.000 0.988 19 E CA 1.211 57.006 56.400 -1.009 0.000 0.811 19 E CB -0.127 29.000 29.700 -0.954 0.000 0.746 19 E HN 0.477 nan 8.360 nan 0.000 0.466 20 K N 0.483 120.689 120.400 -0.325 0.000 2.057 20 K HA -0.127 4.160 4.320 -0.056 0.000 0.206 20 K C 2.117 178.590 176.600 -0.211 0.000 1.050 20 K CA 1.327 57.481 56.287 -0.222 0.000 0.935 20 K CB -0.113 32.306 32.500 -0.134 0.000 0.715 20 K HN 0.189 nan 8.250 nan 0.000 0.439 21 I N 1.070 121.536 120.570 -0.174 0.000 2.226 21 I HA -0.264 3.873 4.170 -0.056 0.000 0.245 21 I C 2.405 178.450 176.117 -0.118 0.000 1.100 21 I CA 0.923 62.185 61.300 -0.064 0.000 1.374 21 I CB -0.205 37.740 38.000 -0.091 0.000 1.057 21 I HN 0.126 nan 8.210 nan 0.000 0.413 22 R N 1.116 121.481 120.500 -0.225 0.000 2.152 22 R HA -0.098 4.209 4.340 -0.056 0.000 0.232 22 R C 2.054 178.239 176.300 -0.191 0.000 1.117 22 R CA 1.057 57.035 56.100 -0.203 0.000 0.981 22 R CB -0.381 29.798 30.300 -0.202 0.000 0.870 22 R HN 0.481 nan 8.270 nan 0.000 0.451 23 K N 0.403 120.662 120.400 -0.235 0.000 2.067 23 K HA 0.011 4.297 4.320 -0.056 0.000 0.203 23 K C 1.995 178.431 176.600 -0.273 0.000 1.048 23 K CA 0.700 56.857 56.287 -0.217 0.000 0.954 23 K CB 0.042 32.417 32.500 -0.210 0.000 0.737 23 K HN 0.092 nan 8.250 nan 0.000 0.444 24 K N 0.194 120.348 120.400 -0.411 0.000 2.148 24 K HA -0.088 4.198 4.320 -0.056 0.000 0.204 24 K C 0.126 176.179 176.600 -0.912 0.000 1.050 24 K CA 1.138 56.992 56.287 -0.722 0.000 0.942 24 K CB 0.098 31.986 32.500 -1.019 0.000 0.724 24 K HN 0.175 nan 8.250 nan 0.000 0.446 25 Y N 0.259 120.491 120.300 -0.114 0.000 2.662 25 Y HA 0.194 4.710 4.550 -0.056 0.000 0.358 25 Y C -1.990 173.830 175.900 -0.133 0.000 1.041 25 Y CA -2.059 55.974 58.100 -0.112 0.000 1.184 25 Y CB 1.129 39.520 38.460 -0.115 0.000 1.114 25 Y HN -0.030 nan 8.280 nan 0.000 0.650 26 P HA -0.080 nan 4.420 nan 0.000 0.229 26 P C 0.283 177.547 177.300 -0.060 0.000 1.160 26 P CA 1.167 64.228 63.100 -0.064 0.000 0.777 26 P CB 0.604 32.267 31.700 -0.062 0.000 0.814 27 D N -0.513 119.868 120.400 -0.031 0.000 2.340 27 D HA 0.090 4.696 4.640 -0.056 0.000 0.220 27 D C 0.785 177.042 176.300 -0.072 0.000 1.039 27 D CA 0.435 54.410 54.000 -0.041 0.000 0.866 27 D CB 0.242 41.032 40.800 -0.017 0.000 0.913 27 D HN 0.234 nan 8.370 nan 0.000 0.523 28 R N -0.197 120.249 120.500 -0.091 0.000 2.803 28 R HA 0.568 4.875 4.340 -0.056 0.000 0.276 28 R C -0.738 175.398 176.300 -0.273 0.000 0.978 28 R CA -0.967 55.043 56.100 -0.149 0.000 0.939 28 R CB 2.853 33.082 30.300 -0.119 0.000 1.179 28 R HN -0.165 nan 8.270 nan 0.000 0.472 29 V N -0.459 119.251 119.914 -0.340 0.000 2.495 29 V HA 0.609 4.695 4.120 -0.056 0.000 0.298 29 V C -2.538 173.336 176.094 -0.367 0.000 1.031 29 V CA -2.582 59.383 62.300 -0.559 0.000 0.871 29 V CB 1.733 33.154 31.823 -0.671 0.000 0.988 29 V HN 0.648 nan 8.190 nan 0.000 0.432 30 P HA 0.413 nan 4.420 nan 0.000 0.286 30 P C -0.867 176.415 177.300 -0.030 0.000 1.269 30 P CA -0.165 62.811 63.100 -0.207 0.000 0.787 30 P CB 2.020 33.426 31.700 -0.490 0.000 0.920 31 V N 5.339 125.277 119.914 0.040 0.000 2.709 31 V HA 0.435 4.522 4.120 -0.056 0.000 0.308 31 V C -0.974 175.112 176.094 -0.014 0.000 1.062 31 V CA -1.091 61.204 62.300 -0.008 0.000 0.901 31 V CB 1.910 33.647 31.823 -0.144 0.000 1.003 31 V HN 0.272 nan 8.190 nan 0.000 0.425 32 I N 7.183 127.608 120.570 -0.241 0.000 2.339 32 I HA 0.455 4.591 4.170 -0.056 0.000 0.290 32 I C -0.232 175.918 176.117 0.055 0.000 0.994 32 I CA -0.423 60.716 61.300 -0.268 0.000 1.191 32 I CB 1.491 39.056 38.000 -0.725 0.000 1.343 32 I HN 0.337 nan 8.210 nan 0.000 0.458 33 V N 6.708 126.770 119.914 0.247 0.000 2.409 33 V HA 0.489 4.575 4.120 -0.056 0.000 0.291 33 V C -0.043 176.335 176.094 0.473 0.000 1.020 33 V CA -0.652 61.862 62.300 0.355 0.000 0.848 33 V CB 1.834 33.780 31.823 0.205 0.000 0.990 33 V HN 0.684 nan 8.190 nan 0.000 0.430 34 E N 2.443 122.994 120.200 0.586 0.000 2.317 34 E HA 0.431 4.747 4.350 -0.056 0.000 0.270 34 E C -0.972 175.753 176.600 0.208 0.000 0.885 34 E CA -1.043 55.601 56.400 0.407 0.000 0.760 34 E CB 3.040 32.889 29.700 0.247 0.000 1.227 34 E HN 0.604 nan 8.360 nan 0.000 0.434 35 K N 1.142 121.500 120.400 -0.070 0.000 2.295 35 K HA 0.398 4.684 4.320 -0.056 0.000 0.270 35 K C -0.485 175.869 176.600 -0.409 0.000 1.011 35 K CA -0.235 55.617 56.287 -0.725 0.000 0.953 35 K CB 0.811 32.964 32.500 -0.578 0.000 0.956 35 K HN 0.554 nan 8.250 nan 0.000 0.477 36 A N 5.092 127.667 122.820 -0.409 0.000 2.445 36 A HA 0.265 4.552 4.320 -0.056 0.000 0.242 36 A C -2.267 175.184 177.584 -0.221 0.000 1.075 36 A CA -1.234 50.635 52.037 -0.279 0.000 0.777 36 A CB -0.257 18.592 19.000 -0.252 0.000 1.013 36 A HN 0.585 nan 8.150 nan 0.000 0.493 37 P HA 0.112 nan 4.420 nan 0.000 0.264 37 P C -0.021 177.214 177.300 -0.109 0.000 1.193 37 P CA 0.354 63.373 63.100 -0.135 0.000 0.763 37 P CB 0.322 31.948 31.700 -0.124 0.000 0.810 38 K N 0.673 121.024 120.400 -0.081 0.000 3.117 38 K HA -0.190 4.096 4.320 -0.056 0.000 0.269 38 K C -0.649 175.919 176.600 -0.054 0.000 1.098 38 K CA 0.373 56.625 56.287 -0.058 0.000 0.785 38 K CB -1.450 31.019 32.500 -0.052 0.000 1.242 38 K HN 0.597 nan 8.250 nan 0.000 0.491 39 A N 1.745 124.525 122.820 -0.068 0.000 2.249 39 A HA 0.343 4.630 4.320 -0.056 0.000 0.314 39 A C 0.629 178.202 177.584 -0.018 0.000 1.290 39 A CA -0.449 51.559 52.037 -0.049 0.000 0.893 39 A CB 0.352 19.292 19.000 -0.100 0.000 1.165 39 A HN 0.451 nan 8.150 nan 0.000 0.530 40 R N 3.199 123.704 120.500 0.009 0.000 4.624 40 R HA 0.253 4.559 4.340 -0.056 0.000 0.214 40 R C -0.227 176.098 176.300 0.041 0.000 2.026 40 R CA 0.099 56.212 56.100 0.021 0.000 1.676 40 R CB -1.074 29.240 30.300 0.022 0.000 1.291 40 R HN 0.686 nan 8.270 nan 0.000 0.739 41 I N -3.614 116.987 120.570 0.052 0.000 3.023 41 I HA 0.645 4.781 4.170 -0.056 0.000 0.312 41 I C 0.313 176.498 176.117 0.114 0.000 1.056 41 I CA -1.739 59.618 61.300 0.095 0.000 1.033 41 I CB 1.522 39.612 38.000 0.150 0.000 1.233 41 I HN 0.040 nan 8.210 nan 0.000 0.462 42 G N 1.354 110.236 108.800 0.137 0.000 2.432 42 G HA2 0.069 3.996 3.960 -0.056 0.000 0.239 42 G HA3 0.069 3.996 3.960 -0.056 0.000 0.239 42 G C -0.628 174.395 174.900 0.205 0.000 1.291 42 G CA -0.105 45.078 45.100 0.138 0.000 0.863 42 G HN 0.786 nan 8.290 nan 0.000 0.560 43 D N 0.562 121.062 120.400 0.167 0.000 2.294 43 D HA 0.276 4.882 4.640 -0.056 0.000 0.250 43 D C 0.285 176.702 176.300 0.195 0.000 1.058 43 D CA -0.312 53.814 54.000 0.211 0.000 0.950 43 D CB 1.430 42.309 40.800 0.132 0.000 1.158 43 D HN 0.064 nan 8.370 nan 0.000 0.453 44 L N 1.769 123.135 121.223 0.238 0.000 2.418 44 L HA 0.103 4.410 4.340 -0.056 0.000 0.265 44 L C 1.603 178.541 176.870 0.113 0.000 1.143 44 L CA -0.384 54.544 54.840 0.147 0.000 0.809 44 L CB 1.076 43.238 42.059 0.172 0.000 1.124 44 L HN 0.513 nan 8.230 nan 0.000 0.456 45 D N 1.104 121.546 120.400 0.069 0.000 2.355 45 D HA -0.042 4.564 4.640 -0.056 0.000 0.206 45 D C 0.422 176.731 176.300 0.016 0.000 1.010 45 D CA 0.257 54.283 54.000 0.044 0.000 0.875 45 D CB 0.584 41.399 40.800 0.026 0.000 0.966 45 D HN 0.254 nan 8.370 nan 0.000 0.512 46 K N 0.418 120.819 120.400 0.001 0.000 2.413 46 K HA 0.209 4.496 4.320 -0.056 0.000 0.257 46 K C 0.308 176.879 176.600 -0.050 0.000 0.946 46 K CA -0.633 55.577 56.287 -0.128 0.000 0.823 46 K CB 1.667 33.973 32.500 -0.323 0.000 1.109 46 K HN -0.358 nan 8.250 nan 0.000 0.427 47 K N 2.243 122.618 120.400 -0.042 0.000 2.348 47 K HA 0.077 4.363 4.320 -0.056 0.000 0.194 47 K C 0.041 176.674 176.600 0.056 0.000 1.052 47 K CA 0.407 56.759 56.287 0.109 0.000 1.004 47 K CB 0.479 33.050 32.500 0.119 0.000 0.873 47 K HN 0.407 nan 8.250 nan 0.000 0.523 48 K N 0.440 120.734 120.400 -0.177 0.000 2.244 48 K HA 0.302 4.588 4.320 -0.056 0.000 0.260 48 K C -1.471 174.945 176.600 -0.307 0.000 0.951 48 K CA -0.454 55.732 56.287 -0.167 0.000 0.826 48 K CB 0.873 33.242 32.500 -0.219 0.000 1.108 48 K HN -0.265 nan 8.250 nan 0.000 0.433 49 Y N 2.541 122.831 120.300 -0.017 0.000 2.545 49 Y HA 0.441 4.957 4.550 -0.056 0.000 0.348 49 Y C -0.958 174.910 175.900 -0.054 0.000 1.002 49 Y CA -1.170 56.933 58.100 0.005 0.000 1.039 49 Y CB 1.717 40.251 38.460 0.125 0.000 1.271 49 Y HN 0.383 nan 8.280 nan 0.000 0.467 50 L N 4.417 125.681 121.223 0.068 0.000 2.366 50 L HA 0.685 4.992 4.340 -0.056 0.000 0.266 50 L C -1.025 175.816 176.870 -0.048 0.000 1.010 50 L CA -0.782 54.022 54.840 -0.060 0.000 0.879 50 L CB 0.597 42.564 42.059 -0.155 0.000 1.228 50 L HN 0.443 nan 8.230 nan 0.000 0.439 51 V N 3.340 123.204 119.914 -0.084 0.000 2.667 51 V HA 0.806 4.893 4.120 -0.056 0.000 0.308 51 V C -2.463 173.560 176.094 -0.118 0.000 1.048 51 V CA -2.332 59.918 62.300 -0.083 0.000 0.928 51 V CB 1.188 32.915 31.823 -0.160 0.000 1.004 51 V HN 0.589 nan 8.190 nan 0.000 0.444 52 P HA 0.120 nan 4.420 nan 0.000 0.265 52 P C 1.034 178.282 177.300 -0.086 0.000 1.193 52 P CA 0.413 63.471 63.100 -0.069 0.000 0.765 52 P CB 0.950 32.630 31.700 -0.034 0.000 0.823 53 S N 1.534 117.180 115.700 -0.090 0.000 2.442 53 S HA -0.196 4.241 4.470 -0.056 0.000 0.236 53 S C 1.106 175.677 174.600 -0.048 0.000 1.007 53 S CA 1.383 59.532 58.200 -0.085 0.000 0.965 53 S CB -0.906 62.249 63.200 -0.075 0.000 0.773 53 S HN 0.540 nan 8.310 nan 0.000 0.504 54 D N 0.492 120.872 120.400 -0.032 0.000 2.340 54 D HA 0.141 4.748 4.640 -0.056 0.000 0.220 54 D C 0.484 176.782 176.300 -0.003 0.000 1.039 54 D CA -0.409 53.584 54.000 -0.012 0.000 0.866 54 D CB -0.547 40.249 40.800 -0.006 0.000 0.913 54 D HN 0.424 nan 8.370 nan 0.000 0.523 55 L N 2.200 123.415 121.223 -0.013 0.000 2.453 55 L HA 0.225 4.531 4.340 -0.056 0.000 0.272 55 L C 0.536 177.417 176.870 0.019 0.000 1.182 55 L CA 0.071 54.919 54.840 0.012 0.000 0.858 55 L CB 0.785 42.849 42.059 0.007 0.000 1.120 55 L HN 0.132 nan 8.230 nan 0.000 0.474 56 T N 1.245 115.834 114.554 0.059 0.000 2.874 56 T HA 0.278 4.594 4.350 -0.056 0.000 0.281 56 T C 1.281 176.058 174.700 0.129 0.000 0.994 56 T CA -0.477 61.670 62.100 0.078 0.000 1.015 56 T CB 1.125 70.044 68.868 0.084 0.000 1.028 56 T HN 0.363 nan 8.240 nan 0.000 0.523 57 V N 2.325 122.323 119.914 0.140 0.000 2.490 57 V HA -0.011 4.075 4.120 -0.056 0.000 0.250 57 V C 2.818 179.118 176.094 0.344 0.000 1.061 57 V CA 2.311 64.736 62.300 0.208 0.000 1.064 57 V CB -1.442 30.497 31.823 0.194 0.000 0.670 57 V HN 1.115 nan 8.190 nan 0.000 0.461 58 G N -1.130 107.853 108.800 0.306 0.000 2.402 58 G HA2 -0.248 3.678 3.960 -0.056 0.000 0.216 58 G HA3 -0.248 3.678 3.960 -0.056 0.000 0.216 58 G C 1.491 176.568 174.900 0.295 0.000 1.162 58 G CA 0.611 45.906 45.100 0.324 0.000 0.777 58 G HN 0.531 nan 8.290 nan 0.000 0.539 59 Q N -1.050 118.892 119.800 0.237 0.000 2.167 59 Q HA -0.005 4.302 4.340 -0.056 0.000 0.202 59 Q C 2.146 178.344 176.000 0.331 0.000 0.970 59 Q CA 0.789 56.736 55.803 0.240 0.000 0.855 59 Q CB -0.179 28.663 28.738 0.175 0.000 0.911 59 Q HN 0.489 nan 8.270 nan 0.000 0.438 60 F N -0.489 119.553 119.950 0.153 0.000 2.259 60 F HA -0.120 4.372 4.527 -0.058 0.000 0.298 60 F C 1.530 177.473 175.800 0.238 0.000 1.088 60 F CA 0.890 58.952 58.000 0.104 0.000 1.358 60 F CB -0.147 38.845 39.000 -0.013 0.000 1.040 60 F HN 0.047 nan 8.300 nan 0.000 0.505 61 Y N -1.662 118.817 120.300 0.300 0.000 2.181 61 Y HA -0.313 4.200 4.550 -0.061 0.000 0.288 61 Y C 2.418 178.281 175.900 -0.061 0.000 1.146 61 Y CA 1.733 59.809 58.100 -0.041 0.000 1.164 61 Y CB -0.543 37.821 38.460 -0.160 0.000 0.982 61 Y HN 0.130 nan 8.280 nan 0.000 0.515 62 F N 0.172 120.160 119.950 0.063 0.000 2.102 62 F HA -0.232 4.261 4.527 -0.057 0.000 0.298 62 F C 1.936 177.686 175.800 -0.083 0.000 1.105 62 F CA 1.376 59.364 58.000 -0.020 0.000 1.239 62 F CB -0.709 38.294 39.000 0.005 0.000 0.991 62 F HN -0.090 nan 8.300 nan 0.000 0.474 63 L N -0.209 120.950 121.223 -0.107 0.000 2.013 63 L HA -0.294 4.012 4.340 -0.056 0.000 0.212 63 L C 2.471 179.103 176.870 -0.398 0.000 1.073 63 L CA 1.050 55.724 54.840 -0.278 0.000 0.753 63 L CB -0.768 41.154 42.059 -0.229 0.000 0.890 63 L HN 0.164 nan 8.230 nan 0.000 0.432 64 I N -0.377 119.921 120.570 -0.453 0.000 2.252 64 I HA -0.229 3.907 4.170 -0.056 0.000 0.245 64 I C 2.671 178.589 176.117 -0.331 0.000 1.102 64 I CA 1.401 62.441 61.300 -0.434 0.000 1.385 64 I CB -1.111 36.650 38.000 -0.400 0.000 1.064 64 I HN 0.274 nan 8.210 nan 0.000 0.414 65 R N 0.804 121.138 120.500 -0.275 0.000 2.083 65 R HA -0.199 4.107 4.340 -0.056 0.000 0.237 65 R C 2.299 178.405 176.300 -0.323 0.000 1.137 65 R CA 1.505 57.462 56.100 -0.239 0.000 0.951 65 R CB -0.291 29.913 30.300 -0.160 0.000 0.851 65 R HN 0.288 nan 8.270 nan 0.000 0.434 66 K N 0.651 120.766 120.400 -0.475 0.000 2.211 66 K HA -0.157 4.129 4.320 -0.056 0.000 0.203 66 K C 2.133 178.441 176.600 -0.486 0.000 1.050 66 K CA 1.119 57.108 56.287 -0.497 0.000 0.945 66 K CB 0.072 32.173 32.500 -0.664 0.000 0.732 66 K HN 0.015 nan 8.250 nan 0.000 0.451 67 R N 0.950 121.196 120.500 -0.423 0.000 2.093 67 R HA 0.002 4.308 4.340 -0.056 0.000 0.224 67 R C 2.094 178.104 176.300 -0.484 0.000 1.101 67 R CA 1.230 57.095 56.100 -0.392 0.000 0.979 67 R CB -0.083 30.087 30.300 -0.216 0.000 0.877 67 R HN 0.391 nan 8.270 nan 0.000 0.441 68 I N -2.638 117.711 120.570 -0.368 0.000 3.883 68 I HA 0.132 4.269 4.170 -0.056 0.000 0.326 68 I C -0.704 175.333 176.117 -0.134 0.000 1.283 68 I CA -0.167 61.011 61.300 -0.203 0.000 1.161 68 I CB 0.042 37.996 38.000 -0.077 0.000 1.012 68 I HN 0.146 nan 8.210 nan 0.000 0.421 69 H N 0.885 119.914 119.070 -0.069 0.000 2.847 69 H HA -0.102 4.420 4.556 -0.056 0.000 0.336 69 H C -0.922 174.379 175.328 -0.045 0.000 1.221 69 H CA 0.297 56.309 56.048 -0.059 0.000 1.162 69 H CB -1.420 28.320 29.762 -0.036 0.000 1.566 69 H HN 0.353 nan 8.280 nan 0.000 0.430 70 L N 1.260 122.476 121.223 -0.011 0.000 2.346 70 L HA 0.439 4.746 4.340 -0.056 0.000 0.276 70 L C 0.636 177.493 176.870 -0.021 0.000 1.006 70 L CA -0.399 54.434 54.840 -0.012 0.000 0.817 70 L CB 1.393 43.429 42.059 -0.039 0.000 1.272 70 L HN 0.223 nan 8.230 nan 0.000 0.421 71 R N 2.227 122.721 120.500 -0.009 0.000 2.543 71 R HA 0.523 4.829 4.340 -0.056 0.000 0.268 71 R C 1.028 177.310 176.300 -0.030 0.000 1.067 71 R CA 0.005 56.101 56.100 -0.006 0.000 1.142 71 R CB 0.753 31.053 30.300 0.001 0.000 1.110 71 R HN 0.842 nan 8.270 nan 0.000 0.549 72 A N 1.832 124.639 122.820 -0.021 0.000 1.892 72 A HA -0.228 4.059 4.320 -0.056 0.000 0.218 72 A C 1.748 179.285 177.584 -0.078 0.000 1.188 72 A CA 1.873 53.879 52.037 -0.052 0.000 0.631 72 A CB -0.515 18.464 19.000 -0.035 0.000 0.822 72 A HN 0.860 nan 8.150 nan 0.000 0.447 73 E N 0.987 121.156 120.200 -0.051 0.000 2.333 73 E HA -0.126 4.191 4.350 -0.056 0.000 0.198 73 E C -0.650 175.916 176.600 -0.057 0.000 1.007 73 E CA 0.633 57.003 56.400 -0.049 0.000 0.845 73 E CB -0.690 28.994 29.700 -0.026 0.000 0.766 73 E HN 0.541 nan 8.360 nan 0.000 0.507 74 D N 1.691 122.054 120.400 -0.063 0.000 2.308 74 D HA 0.324 4.931 4.640 -0.056 0.000 0.251 74 D C -0.312 175.911 176.300 -0.128 0.000 1.127 74 D CA -0.011 53.952 54.000 -0.062 0.000 0.876 74 D CB 1.372 42.149 40.800 -0.038 0.000 1.176 74 D HN 0.142 nan 8.370 nan 0.000 0.446 75 A N 2.595 125.341 122.820 -0.122 0.000 2.450 75 A HA 0.380 4.666 4.320 -0.056 0.000 0.255 75 A C -0.400 177.000 177.584 -0.307 0.000 1.096 75 A CA -0.129 51.746 52.037 -0.271 0.000 0.778 75 A CB 0.179 19.127 19.000 -0.086 0.000 1.031 75 A HN 0.429 nan 8.150 nan 0.000 0.494 76 L N 3.280 124.134 121.223 -0.614 0.000 2.528 76 L HA 0.721 5.027 4.340 -0.056 0.000 0.267 76 L C -1.774 174.762 176.870 -0.557 0.000 0.961 76 L CA -0.201 54.428 54.840 -0.352 0.000 0.866 76 L CB 1.045 42.980 42.059 -0.206 0.000 1.248 76 L HN 0.555 nan 8.230 nan 0.000 0.404 77 F N 4.762 124.818 119.950 0.176 0.000 2.495 77 F HA 0.622 5.125 4.527 -0.040 0.000 0.327 77 F C -0.429 175.496 175.800 0.208 0.000 1.103 77 F CA -0.544 57.517 58.000 0.101 0.000 0.949 77 F CB 1.645 40.620 39.000 -0.042 0.000 1.142 77 F HN 0.185 nan 8.300 nan 0.000 0.457 78 F N 2.527 122.591 119.950 0.190 0.000 2.404 78 F HA 0.511 5.001 4.527 -0.061 0.000 0.339 78 F C -0.628 175.051 175.800 -0.202 0.000 1.105 78 F CA -1.653 56.379 58.000 0.054 0.000 1.087 78 F CB 0.847 39.747 39.000 -0.166 0.000 1.143 78 F HN 0.169 nan 8.300 nan 0.000 0.491 79 F N 2.134 122.314 119.950 0.383 0.000 2.493 79 F HA 0.603 5.117 4.527 -0.021 0.000 0.329 79 F C -0.570 175.319 175.800 0.148 0.000 1.126 79 F CA -1.074 57.060 58.000 0.223 0.000 0.937 79 F CB 1.825 40.938 39.000 0.188 0.000 1.146 79 F HN -0.028 nan 8.300 nan 0.000 0.442 80 V N 3.064 123.069 119.914 0.152 0.000 2.380 80 V HA 0.290 4.376 4.120 -0.056 0.000 0.286 80 V C -0.243 175.761 176.094 -0.150 0.000 1.015 80 V CA -1.381 60.904 62.300 -0.024 0.000 0.834 80 V CB 1.062 32.758 31.823 -0.213 0.000 1.009 80 V HN 0.906 nan 8.190 nan 0.000 0.428 81 N N 4.447 123.152 118.700 0.008 0.000 2.740 81 N HA -0.196 4.510 4.740 -0.056 0.000 0.248 81 N C 0.207 175.752 175.510 0.058 0.000 1.062 81 N CA 0.499 53.564 53.050 0.025 0.000 0.704 81 N CB -0.691 37.795 38.487 -0.002 0.000 0.968 81 N HN 0.837 nan 8.380 nan 0.000 0.547 82 N N -1.741 117.043 118.700 0.139 0.000 2.738 82 N HA -0.170 4.537 4.740 -0.056 0.000 0.249 82 N C -1.465 174.149 175.510 0.174 0.000 1.047 82 N CA 1.250 54.415 53.050 0.192 0.000 0.707 82 N CB -0.738 37.816 38.487 0.113 0.000 0.937 82 N HN 0.234 nan 8.380 nan 0.000 0.545 83 V N 1.226 121.223 119.914 0.139 0.000 2.655 83 V HA 0.384 4.471 4.120 -0.056 0.000 0.301 83 V C 0.411 176.512 176.094 0.011 0.000 1.082 83 V CA -0.625 61.713 62.300 0.063 0.000 0.899 83 V CB 2.203 34.036 31.823 0.016 0.000 1.014 83 V HN 0.100 nan 8.190 nan 0.000 0.429 84 I N 7.903 128.454 120.570 -0.031 0.000 2.347 84 I HA 0.265 4.402 4.170 -0.056 0.000 0.294 84 I C -1.589 174.557 176.117 0.048 0.000 1.090 84 I CA -1.283 59.967 61.300 -0.083 0.000 1.314 84 I CB 1.182 39.096 38.000 -0.143 0.000 1.423 84 I HN 0.457 nan 8.210 nan 0.000 0.503 85 P HA 0.237 nan 4.420 nan 0.000 0.274 85 P C -2.567 174.833 177.300 0.167 0.000 1.231 85 P CA -1.191 61.986 63.100 0.129 0.000 0.790 85 P CB 0.028 31.804 31.700 0.127 0.000 0.951 86 P HA 0.048 nan 4.420 nan 0.000 0.278 86 P C 1.066 178.465 177.300 0.165 0.000 1.238 86 P CA -0.106 63.073 63.100 0.133 0.000 0.794 86 P CB 0.448 32.204 31.700 0.094 0.000 0.955 87 T N -1.701 112.958 114.554 0.175 0.000 2.929 87 T HA -0.136 4.181 4.350 -0.056 0.000 0.271 87 T C 1.563 176.345 174.700 0.137 0.000 1.085 87 T CA 1.508 63.729 62.100 0.202 0.000 1.125 87 T CB -1.018 67.944 68.868 0.156 0.000 0.874 87 T HN 0.464 nan 8.240 nan 0.000 0.494 88 S N 1.394 117.152 115.700 0.097 0.000 2.522 88 S HA 0.473 4.910 4.470 -0.056 0.000 0.227 88 S C 1.149 175.789 174.600 0.068 0.000 0.986 88 S CA -0.085 58.157 58.200 0.070 0.000 0.929 88 S CB -0.493 62.737 63.200 0.052 0.000 0.769 88 S HN 0.833 nan 8.310 nan 0.000 0.529 89 A N 2.604 125.473 122.820 0.081 0.000 2.407 89 A HA 0.525 4.812 4.320 -0.056 0.000 0.248 89 A C 0.757 178.377 177.584 0.060 0.000 1.082 89 A CA -0.113 51.966 52.037 0.070 0.000 0.785 89 A CB 0.003 19.053 19.000 0.083 0.000 1.020 89 A HN 0.514 nan 8.150 nan 0.000 0.489 90 T N 0.104 114.683 114.554 0.042 0.000 2.928 90 T HA 0.412 4.728 4.350 -0.056 0.000 0.284 90 T C 1.184 175.885 174.700 0.002 0.000 1.008 90 T CA -0.757 61.356 62.100 0.021 0.000 1.057 90 T CB 0.724 69.600 68.868 0.014 0.000 1.018 90 T HN 0.423 nan 8.240 nan 0.000 0.493 91 M N 1.580 121.151 119.600 -0.048 0.000 2.279 91 M HA 0.043 4.489 4.480 -0.056 0.000 0.264 91 M C 2.461 178.747 176.300 -0.024 0.000 1.062 91 M CA 1.562 56.802 55.300 -0.101 0.000 1.099 91 M CB -1.877 30.583 32.600 -0.234 0.000 1.394 91 M HN 0.973 nan 8.290 nan 0.000 0.426 92 G N -0.371 108.421 108.800 -0.014 0.000 2.408 92 G HA2 -0.205 3.722 3.960 -0.056 0.000 0.217 92 G HA3 -0.205 3.722 3.960 -0.056 0.000 0.217 92 G C 1.566 176.523 174.900 0.094 0.000 1.150 92 G CA 0.312 45.428 45.100 0.028 0.000 0.776 92 G HN 0.478 nan 8.290 nan 0.000 0.542 93 Q N -0.329 119.508 119.800 0.062 0.000 2.016 93 Q HA 0.080 4.387 4.340 -0.056 0.000 0.200 93 Q C 2.681 178.728 176.000 0.078 0.000 0.978 93 Q CA 0.794 56.633 55.803 0.061 0.000 0.833 93 Q CB -0.277 28.488 28.738 0.046 0.000 0.895 93 Q HN 0.382 nan 8.270 nan 0.000 0.427 94 L N -0.345 120.937 121.223 0.098 0.000 2.013 94 L HA -0.266 4.041 4.340 -0.056 0.000 0.212 94 L C 2.465 179.434 176.870 0.166 0.000 1.073 94 L CA 1.619 56.552 54.840 0.156 0.000 0.753 94 L CB -0.554 41.577 42.059 0.120 0.000 0.890 94 L HN 0.334 nan 8.230 nan 0.000 0.432 95 Y N 0.580 120.904 120.300 0.040 0.000 2.128 95 Y HA -0.326 4.190 4.550 -0.056 0.000 0.284 95 Y C 2.789 178.772 175.900 0.138 0.000 1.154 95 Y CA 1.798 59.940 58.100 0.069 0.000 1.149 95 Y CB -0.255 38.205 38.460 0.001 0.000 0.976 95 Y HN 0.174 nan 8.280 nan 0.000 0.505 96 Q N -0.331 119.564 119.800 0.158 0.000 2.135 96 Q HA -0.269 4.038 4.340 -0.056 0.000 0.204 96 Q C 2.134 178.111 176.000 -0.037 0.000 0.981 96 Q CA 2.010 57.869 55.803 0.092 0.000 0.856 96 Q CB -0.110 28.680 28.738 0.085 0.000 0.902 96 Q HN 0.663 nan 8.270 nan 0.000 0.425 97 E N -1.417 118.700 120.200 -0.138 0.000 2.340 97 E HA -0.099 4.218 4.350 -0.056 0.000 0.194 97 E C 0.894 177.167 176.600 -0.545 0.000 0.996 97 E CA 0.362 56.547 56.400 -0.357 0.000 0.869 97 E CB 0.445 29.869 29.700 -0.460 0.000 0.835 97 E HN 0.356 nan 8.360 nan 0.000 0.493 98 H N -1.144 117.834 119.070 -0.154 0.000 3.398 98 H HA 0.059 4.584 4.556 -0.052 0.000 0.260 98 H C -0.299 174.902 175.328 -0.212 0.000 1.189 98 H CA 0.132 56.090 56.048 -0.149 0.000 1.145 98 H CB 0.056 29.796 29.762 -0.038 0.000 1.599 98 H HN 0.283 nan 8.280 nan 0.000 0.615 99 H N 0.755 119.690 119.070 -0.226 0.000 3.016 99 H HA 0.143 4.666 4.556 -0.055 0.000 0.345 99 H C 0.100 175.342 175.328 -0.144 0.000 1.066 99 H CA 0.302 56.144 56.048 -0.343 0.000 1.390 99 H CB 0.857 29.968 29.762 -1.085 0.000 1.344 99 H HN 0.108 nan 8.280 nan 0.000 0.605 100 E N 1.597 121.880 120.200 0.137 0.000 2.292 100 E HA 0.032 4.348 4.350 -0.056 0.000 0.258 100 E C 0.910 177.640 176.600 0.216 0.000 1.115 100 E CA -0.850 55.639 56.400 0.147 0.000 0.929 100 E CB 0.711 30.587 29.700 0.294 0.000 1.161 100 E HN 0.737 nan 8.360 nan 0.000 0.453 101 E N 1.078 121.396 120.200 0.196 0.000 2.265 101 E HA -0.172 4.144 4.350 -0.056 0.000 0.196 101 E C 0.960 177.755 176.600 0.325 0.000 0.996 101 E CA 1.019 57.549 56.400 0.217 0.000 0.832 101 E CB -0.222 29.649 29.700 0.285 0.000 0.756 101 E HN 0.446 nan 8.360 nan 0.000 0.491 102 D N -1.224 119.446 120.400 0.451 0.000 2.328 102 D HA -0.087 4.519 4.640 -0.056 0.000 0.226 102 D C 0.146 176.788 176.300 0.569 0.000 1.066 102 D CA -0.310 53.901 54.000 0.353 0.000 0.861 102 D CB -0.514 40.469 40.800 0.304 0.000 0.912 102 D HN 0.040 nan 8.370 nan 0.000 0.521 103 F N -2.059 118.024 119.950 0.222 0.000 2.840 103 F HA -0.206 4.287 4.527 -0.056 0.000 0.310 103 F C -0.182 175.645 175.800 0.046 0.000 0.688 103 F CA 0.160 58.201 58.000 0.068 0.000 1.286 103 F CB -2.274 36.675 39.000 -0.084 0.000 1.612 103 F HN -0.041 nan 8.300 nan 0.000 0.335 104 F N 0.362 120.486 119.950 0.290 0.000 2.432 104 F HA 0.632 5.126 4.527 -0.056 0.000 0.329 104 F C 0.112 175.932 175.800 0.033 0.000 1.076 104 F CA -1.242 56.799 58.000 0.067 0.000 1.018 104 F CB 1.364 40.174 39.000 -0.316 0.000 1.201 104 F HN -0.223 nan 8.300 nan 0.000 0.489 105 L N 3.755 125.082 121.223 0.173 0.000 2.265 105 L HA 0.424 4.730 4.340 -0.056 0.000 0.289 105 L C -1.637 175.146 176.870 -0.144 0.000 1.033 105 L CA -0.506 54.401 54.840 0.111 0.000 0.814 105 L CB 0.018 42.210 42.059 0.221 0.000 1.203 105 L HN 0.377 nan 8.230 nan 0.000 0.423 106 Y N 5.928 126.189 120.300 -0.065 0.000 2.335 106 Y HA 0.578 5.094 4.550 -0.057 0.000 0.339 106 Y C -0.029 175.834 175.900 -0.062 0.000 0.987 106 Y CA -0.310 57.622 58.100 -0.280 0.000 1.140 106 Y CB 1.188 39.220 38.460 -0.713 0.000 1.173 106 Y HN 0.428 nan 8.280 nan 0.000 0.486 107 I N 3.304 123.988 120.570 0.191 0.000 2.436 107 I HA 0.651 4.787 4.170 -0.056 0.000 0.289 107 I C -0.449 175.998 176.117 0.550 0.000 1.010 107 I CA -0.912 60.548 61.300 0.267 0.000 1.098 107 I CB 1.709 39.688 38.000 -0.034 0.000 1.266 107 I HN 0.646 nan 8.210 nan 0.000 0.434 108 A N 6.070 129.237 122.820 0.579 0.000 2.325 108 A HA 0.819 5.105 4.320 -0.056 0.000 0.333 108 A C -1.269 176.699 177.584 0.640 0.000 1.155 108 A CA -0.340 51.989 52.037 0.487 0.000 0.814 108 A CB 0.937 20.097 19.000 0.266 0.000 1.206 108 A HN 0.677 nan 8.150 nan 0.000 0.482 109 Y N -0.131 120.419 120.300 0.416 0.000 2.512 109 Y HA 0.844 5.367 4.550 -0.045 0.000 0.348 109 Y C -0.213 175.922 175.900 0.391 0.000 0.990 109 Y CA -0.883 57.539 58.100 0.537 0.000 1.033 109 Y CB 1.416 40.185 38.460 0.514 0.000 1.259 109 Y HN 0.786 nan 8.280 nan 0.000 0.461 110 S N 0.198 116.205 115.700 0.511 0.000 2.688 110 S HA 0.323 4.759 4.470 -0.056 0.000 0.275 110 S C -0.880 173.980 174.600 0.433 0.000 1.175 110 S CA -0.163 58.218 58.200 0.301 0.000 0.818 110 S CB 1.039 64.357 63.200 0.196 0.000 1.157 110 S HN 0.905 nan 8.310 nan 0.000 0.482 111 D N -0.039 120.548 120.400 0.312 0.000 2.349 111 D HA 0.207 4.813 4.640 -0.056 0.000 0.214 111 D C 0.283 176.874 176.300 0.485 0.000 1.063 111 D CA -0.007 54.169 54.000 0.294 0.000 0.847 111 D CB 0.058 40.954 40.800 0.159 0.000 0.933 111 D HN 0.651 nan 8.370 nan 0.000 0.513 112 E N -1.159 119.342 120.200 0.501 0.000 2.408 112 E HA 0.550 4.867 4.350 -0.056 0.000 0.275 112 E C -1.244 175.397 176.600 0.068 0.000 0.935 112 E CA -1.182 55.398 56.400 0.300 0.000 0.775 112 E CB 1.446 31.221 29.700 0.126 0.000 1.277 112 E HN -0.185 nan 8.360 nan 0.000 0.455 113 S N 0.859 116.395 115.700 -0.274 0.000 2.592 113 S HA 0.540 4.976 4.470 -0.056 0.000 0.305 113 S C 0.115 174.674 174.600 -0.069 0.000 1.118 113 S CA -0.332 57.749 58.200 -0.200 0.000 1.075 113 S CB 0.163 63.067 63.200 -0.492 0.000 1.107 113 S HN 0.557 nan 8.310 nan 0.000 0.503 114 V N 0.000 119.866 119.914 -0.080 0.000 2.409 114 V HA 0.000 4.086 4.120 -0.056 0.000 0.244 114 V CA 0.000 62.241 62.300 -0.098 0.000 1.235 114 V CB 0.000 31.758 31.823 -0.108 0.000 1.184 114 V HN 0.000 nan 8.190 nan 0.000 0.556