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 2zhy_1_B DATA FIRST_RESID 6 DATA SEQUENCE SKIATRTGDD GTTGLGDGSR VRKDDARIAA IGDVDELNSQ IGVLLAEPLP DATA SEQUENCE DDVRAALSAI QHDLFDLGGE LCIPGHAAIT DAHLARLDGW LAHYNGQLPP DATA SEQUENCE LEEFILPGGA RGAALAHVCR TVCRRAERSI VALGASEPLN AAPRRYVNRL DATA SEQUENCE SDLLFVLARV LNRAAGGADV L 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 6 S HA 0.000 nan 4.470 nan 0.000 0.327 6 S C 0.000 174.600 174.600 0.000 0.000 1.055 6 S CA 0.000 58.200 58.200 0.000 0.000 1.107 6 S CB 0.000 63.200 63.200 0.000 0.000 0.593 7 K N 3.042 123.442 120.400 0.000 0.000 2.387 7 K HA 0.412 4.730 4.320 -0.003 0.000 0.198 7 K C 0.170 176.770 176.600 0.000 0.000 1.022 7 K CA 0.111 56.398 56.287 0.000 0.000 1.128 7 K CB 0.102 32.602 32.500 0.000 0.000 0.853 7 K HN 0.514 nan 8.250 nan 0.000 0.523 8 I N 1.650 122.220 120.570 0.000 0.000 2.365 8 I HA 0.259 4.427 4.170 -0.003 0.000 0.291 8 I C 0.578 176.695 176.117 0.000 0.000 1.004 8 I CA -1.363 59.937 61.300 0.000 0.000 1.311 8 I CB 0.663 38.663 38.000 0.000 0.000 1.401 8 I HN 0.032 nan 8.210 nan 0.000 0.491 9 A N 5.400 128.221 122.820 0.000 0.000 2.520 9 A HA 0.246 4.564 4.320 -0.003 0.000 0.235 9 A C 0.562 178.146 177.584 0.000 0.000 1.065 9 A CA 0.100 52.137 52.037 0.000 0.000 0.764 9 A CB -0.204 18.797 19.000 0.000 0.000 1.002 9 A HN 0.746 nan 8.150 nan 0.000 0.502 10 T N 2.699 117.253 114.554 0.000 0.000 2.884 10 T HA 0.381 4.729 4.350 -0.003 0.000 0.298 10 T C 0.391 175.091 174.700 0.000 0.000 0.998 10 T CA 0.282 62.382 62.100 0.000 0.000 1.124 10 T CB 0.167 69.035 68.868 -0.000 0.000 0.931 10 T HN 0.615 nan 8.240 nan 0.000 0.531 11 R N 1.328 121.828 120.500 0.000 0.000 2.711 11 R HA 0.396 4.734 4.340 -0.003 0.000 0.284 11 R C -0.077 176.223 176.300 0.000 0.000 0.968 11 R CA -0.797 55.303 56.100 0.001 0.000 0.924 11 R CB 1.244 31.545 30.300 0.001 0.000 1.162 11 R HN 0.529 nan 8.270 nan 0.000 0.465 12 T N 1.325 115.879 114.554 0.000 0.000 2.831 12 T HA 0.146 4.494 4.350 -0.003 0.000 0.291 12 T C 1.194 175.893 174.700 -0.000 0.000 0.981 12 T CA 1.502 63.602 62.100 -0.000 0.000 1.174 12 T CB 0.512 69.380 68.868 0.000 0.000 0.929 12 T HN 0.922 nan 8.240 nan 0.000 0.532 13 G N 3.585 112.384 108.800 -0.001 0.000 2.195 13 G HA2 -0.228 3.730 3.960 -0.003 0.000 0.224 13 G HA3 -0.228 3.730 3.960 -0.003 0.000 0.224 13 G C 0.750 175.649 174.900 -0.001 0.000 0.990 13 G CA 0.154 45.254 45.100 -0.001 0.000 0.639 13 G HN 0.666 nan 8.290 nan 0.000 0.514 14 D N 1.353 121.753 120.400 -0.001 0.000 2.263 14 D HA -0.003 4.635 4.640 -0.003 0.000 0.208 14 D C 2.031 178.331 176.300 -0.001 0.000 0.971 14 D CA 1.424 55.424 54.000 -0.000 0.000 0.867 14 D CB -0.123 40.676 40.800 -0.000 0.000 0.929 14 D HN 0.672 nan 8.370 nan 0.000 0.492 15 D N -1.113 119.286 120.400 -0.001 0.000 2.328 15 D HA 0.076 4.714 4.640 -0.003 0.000 0.226 15 D C 1.437 177.736 176.300 -0.001 0.000 1.066 15 D CA 0.724 54.724 54.000 -0.001 0.000 0.861 15 D CB -0.169 40.630 40.800 -0.001 0.000 0.912 15 D HN 0.188 nan 8.370 nan 0.000 0.521 16 G N 0.110 108.909 108.800 -0.001 0.000 2.176 16 G HA2 -0.247 3.711 3.960 -0.003 0.000 0.253 16 G HA3 -0.247 3.711 3.960 -0.003 0.000 0.253 16 G C 0.416 175.315 174.900 -0.002 0.000 0.979 16 G CA 0.578 45.676 45.100 -0.002 0.000 0.641 16 G HN 0.825 nan 8.290 nan 0.000 0.530 17 T N -2.542 112.011 114.554 -0.003 0.000 2.950 17 T HA 0.785 5.133 4.350 -0.003 0.000 0.288 17 T C -0.289 174.408 174.700 -0.004 0.000 1.035 17 T CA 0.305 62.402 62.100 -0.004 0.000 1.028 17 T CB 2.911 71.777 68.868 -0.004 0.000 1.109 17 T HN 0.930 nan 8.240 nan 0.000 0.514 18 T N -0.619 113.932 114.554 -0.006 0.000 2.896 18 T HA 0.685 5.033 4.350 -0.003 0.000 0.297 18 T C 0.002 174.697 174.700 -0.008 0.000 1.108 18 T CA -0.368 61.728 62.100 -0.007 0.000 1.004 18 T CB 1.167 70.030 68.868 -0.008 0.000 1.159 18 T HN 1.123 nan 8.240 nan 0.000 0.499 19 G N 2.855 111.649 108.800 -0.009 0.000 2.377 19 G HA2 0.615 4.573 3.960 -0.003 0.000 0.299 19 G HA3 0.615 4.573 3.960 -0.003 0.000 0.299 19 G C -0.534 174.358 174.900 -0.014 0.000 1.150 19 G CA -0.562 44.532 45.100 -0.010 0.000 0.847 19 G HN 0.769 nan 8.290 nan 0.000 0.501 20 L N 1.120 122.335 121.223 -0.014 0.000 2.448 20 L HA 0.398 4.736 4.340 -0.003 0.000 0.258 20 L C 2.031 178.890 176.870 -0.018 0.000 1.104 20 L CA -0.586 54.244 54.840 -0.017 0.000 0.800 20 L CB 1.313 43.364 42.059 -0.013 0.000 1.241 20 L HN 0.669 nan 8.230 nan 0.000 0.472 21 G N -0.330 108.458 108.800 -0.020 0.000 2.498 21 G HA2 -0.216 3.742 3.960 -0.003 0.000 0.219 21 G HA3 -0.216 3.742 3.960 -0.003 0.000 0.219 21 G C 0.766 175.654 174.900 -0.019 0.000 1.119 21 G CA 0.688 45.773 45.100 -0.025 0.000 0.766 21 G HN 0.840 nan 8.290 nan 0.000 0.552 22 D N -0.944 119.449 120.400 -0.011 0.000 2.342 22 D HA 0.225 4.863 4.640 -0.003 0.000 0.221 22 D C 1.645 177.940 176.300 -0.008 0.000 1.101 22 D CA 0.529 54.524 54.000 -0.008 0.000 0.837 22 D CB -0.312 40.486 40.800 -0.003 0.000 0.938 22 D HN 0.410 nan 8.370 nan 0.000 0.508 23 G N 0.636 109.431 108.800 -0.009 0.000 2.268 23 G HA2 -0.319 3.639 3.960 -0.003 0.000 0.240 23 G HA3 -0.319 3.639 3.960 -0.003 0.000 0.240 23 G C 0.525 175.422 174.900 -0.006 0.000 1.010 23 G CA 0.409 45.504 45.100 -0.008 0.000 0.618 23 G HN 0.811 nan 8.290 nan 0.000 0.516 24 S N 0.223 115.919 115.700 -0.006 0.000 2.589 24 S HA 0.680 5.148 4.470 -0.003 0.000 0.265 24 S C 0.238 174.834 174.600 -0.006 0.000 1.342 24 S CA 0.029 58.225 58.200 -0.005 0.000 1.005 24 S CB 1.312 64.509 63.200 -0.005 0.000 0.909 24 S HN 0.649 nan 8.310 nan 0.000 0.555 25 R N 0.239 120.736 120.500 -0.005 0.000 2.561 25 R HA 0.663 5.001 4.340 -0.003 0.000 0.297 25 R C -0.965 175.332 176.300 -0.005 0.000 0.969 25 R CA -0.889 55.208 56.100 -0.006 0.000 0.879 25 R CB 1.988 32.285 30.300 -0.005 0.000 1.178 25 R HN 0.694 nan 8.270 nan 0.000 0.445 26 V N -0.614 119.296 119.914 -0.006 0.000 2.864 26 V HA 0.582 4.700 4.120 -0.003 0.000 0.314 26 V C 0.057 176.148 176.094 -0.005 0.000 1.073 26 V CA -1.329 60.967 62.300 -0.006 0.000 0.956 26 V CB 1.948 33.767 31.823 -0.007 0.000 1.023 26 V HN 0.722 nan 8.190 nan 0.000 0.435 27 R N 1.337 121.834 120.500 -0.005 0.000 2.590 27 R HA 0.236 4.574 4.340 -0.003 0.000 0.274 27 R C 1.100 177.397 176.300 -0.005 0.000 1.061 27 R CA 0.028 56.126 56.100 -0.004 0.000 1.081 27 R CB 0.589 30.887 30.300 -0.003 0.000 0.984 27 R HN 0.859 nan 8.270 nan 0.000 0.448 28 K N 1.344 121.742 120.400 -0.004 0.000 2.360 28 K HA -0.138 4.180 4.320 -0.003 0.000 0.201 28 K C 0.620 177.217 176.600 -0.004 0.000 1.046 28 K CA 1.511 57.795 56.287 -0.005 0.000 0.945 28 K CB 0.087 32.585 32.500 -0.004 0.000 0.750 28 K HN 0.626 nan 8.250 nan 0.000 0.464 29 D N -0.035 120.363 120.400 -0.003 0.000 2.328 29 D HA -0.048 4.590 4.640 -0.003 0.000 0.221 29 D C -0.076 176.222 176.300 -0.003 0.000 1.072 29 D CA -0.180 53.818 54.000 -0.003 0.000 0.850 29 D CB -0.372 40.427 40.800 -0.002 0.000 0.922 29 D HN 0.021 nan 8.370 nan 0.000 0.516 30 D N -0.158 120.240 120.400 -0.004 0.000 2.423 30 D HA 0.276 4.914 4.640 -0.003 0.000 0.238 30 D C 1.495 177.792 176.300 -0.005 0.000 1.142 30 D CA 0.293 54.290 54.000 -0.005 0.000 0.884 30 D CB 1.300 42.096 40.800 -0.006 0.000 1.199 30 D HN 0.023 nan 8.370 nan 0.000 0.438 31 A N 4.096 126.913 122.820 -0.005 0.000 1.948 31 A HA -0.239 4.079 4.320 -0.003 0.000 0.220 31 A C 2.110 179.690 177.584 -0.007 0.000 1.177 31 A CA 1.760 53.794 52.037 -0.005 0.000 0.636 31 A CB -0.497 18.501 19.000 -0.004 0.000 0.815 31 A HN 0.753 nan 8.150 nan 0.000 0.449 32 R N -0.456 120.039 120.500 -0.009 0.000 2.081 32 R HA -0.104 4.234 4.340 -0.003 0.000 0.235 32 R C 1.740 178.031 176.300 -0.015 0.000 1.131 32 R CA 1.688 57.780 56.100 -0.013 0.000 0.960 32 R CB -0.259 30.032 30.300 -0.014 0.000 0.856 32 R HN 0.457 nan 8.270 nan 0.000 0.436 33 I N 0.926 121.488 120.570 -0.013 0.000 2.394 33 I HA -0.126 4.042 4.170 -0.003 0.000 0.251 33 I C 2.431 178.541 176.117 -0.012 0.000 1.136 33 I CA 1.205 62.496 61.300 -0.014 0.000 1.425 33 I CB -1.520 36.474 38.000 -0.011 0.000 1.079 33 I HN 0.248 nan 8.210 nan 0.000 0.425 34 A N 1.070 123.885 122.820 -0.008 0.000 1.898 34 A HA -0.049 4.269 4.320 -0.003 0.000 0.216 34 A C 2.594 180.175 177.584 -0.006 0.000 1.181 34 A CA 1.792 53.826 52.037 -0.005 0.000 0.620 34 A CB -0.669 18.330 19.000 -0.003 0.000 0.819 34 A HN 0.387 nan 8.150 nan 0.000 0.442 35 A N 0.003 122.818 122.820 -0.008 0.000 1.898 35 A HA -0.053 4.265 4.320 -0.003 0.000 0.216 35 A C 2.114 179.689 177.584 -0.015 0.000 1.181 35 A CA 1.458 53.490 52.037 -0.008 0.000 0.620 35 A CB -0.604 18.390 19.000 -0.011 0.000 0.819 35 A HN 0.482 nan 8.150 nan 0.000 0.442 36 I N -0.255 120.301 120.570 -0.024 0.000 2.226 36 I HA -0.221 3.947 4.170 -0.003 0.000 0.245 36 I C 2.695 178.797 176.117 -0.026 0.000 1.100 36 I CA 1.169 62.448 61.300 -0.036 0.000 1.374 36 I CB -0.637 37.337 38.000 -0.043 0.000 1.057 36 I HN 0.409 nan 8.210 nan 0.000 0.413 37 G N 0.409 109.200 108.800 -0.016 0.000 2.418 37 G HA2 -0.240 3.718 3.960 -0.003 0.000 0.217 37 G HA3 -0.240 3.718 3.960 -0.003 0.000 0.217 37 G C 1.256 176.156 174.900 -0.001 0.000 1.158 37 G CA 0.908 46.003 45.100 -0.008 0.000 0.771 37 G HN 0.281 nan 8.290 nan 0.000 0.545 38 D N 0.105 120.506 120.400 0.002 0.000 2.178 38 D HA -0.065 4.573 4.640 -0.003 0.000 0.202 38 D C 2.725 179.034 176.300 0.014 0.000 0.974 38 D CA 0.465 54.471 54.000 0.009 0.000 0.841 38 D CB -0.228 40.578 40.800 0.011 0.000 0.953 38 D HN 0.212 nan 8.370 nan 0.000 0.478 39 V N 1.046 120.965 119.914 0.007 0.000 2.358 39 V HA -0.199 3.919 4.120 -0.003 0.000 0.246 39 V C 2.137 178.240 176.094 0.015 0.000 1.047 39 V CA 1.617 63.924 62.300 0.012 0.000 1.035 39 V CB -0.331 31.485 31.823 -0.011 0.000 0.658 39 V HN 0.093 nan 8.190 nan 0.000 0.452 40 D N 0.089 120.492 120.400 0.005 0.000 2.117 40 D HA -0.213 4.425 4.640 -0.003 0.000 0.197 40 D C 2.205 178.519 176.300 0.022 0.000 0.987 40 D CA 1.646 55.654 54.000 0.015 0.000 0.829 40 D CB -0.026 40.778 40.800 0.005 0.000 0.961 40 D HN 0.557 nan 8.370 nan 0.000 0.460 41 E N -0.753 119.458 120.200 0.018 0.000 2.077 41 E HA -0.179 4.169 4.350 -0.003 0.000 0.193 41 E C 2.212 178.827 176.600 0.024 0.000 0.989 41 E CA 0.712 57.123 56.400 0.019 0.000 0.800 41 E CB -0.195 29.515 29.700 0.016 0.000 0.746 41 E HN 0.245 nan 8.360 nan 0.000 0.452 42 L N 1.697 122.938 121.223 0.030 0.000 2.012 42 L HA -0.200 4.139 4.340 -0.003 0.000 0.210 42 L C 1.981 178.874 176.870 0.039 0.000 1.073 42 L CA 2.035 56.898 54.840 0.037 0.000 0.748 42 L CB -0.879 41.210 42.059 0.049 0.000 0.891 42 L HN 0.121 nan 8.230 nan 0.000 0.431 43 N N -0.730 117.996 118.700 0.043 0.000 2.166 43 N HA -0.159 4.579 4.740 -0.003 0.000 0.186 43 N C 1.830 177.358 175.510 0.030 0.000 1.019 43 N CA 1.528 54.605 53.050 0.046 0.000 0.856 43 N CB -0.187 38.336 38.487 0.059 0.000 0.993 43 N HN 0.489 nan 8.380 nan 0.000 0.426 44 S N 0.147 115.863 115.700 0.026 0.000 2.368 44 S HA -0.051 4.417 4.470 -0.003 0.000 0.224 44 S C 1.722 176.330 174.600 0.012 0.000 1.029 44 S CA 0.673 58.883 58.200 0.018 0.000 0.988 44 S CB -0.158 63.053 63.200 0.017 0.000 0.838 44 S HN 0.383 nan 8.310 nan 0.000 0.462 45 Q N 0.782 120.591 119.800 0.015 0.000 2.124 45 Q HA 0.052 4.390 4.340 -0.003 0.000 0.202 45 Q C 2.146 178.149 176.000 0.004 0.000 0.977 45 Q CA 0.950 56.759 55.803 0.011 0.000 0.850 45 Q CB -0.445 28.303 28.738 0.016 0.000 0.901 45 Q HN 0.554 nan 8.270 nan 0.000 0.429 46 I N -0.007 120.567 120.570 0.007 0.000 2.315 46 I HA -0.183 3.985 4.170 -0.003 0.000 0.248 46 I C 2.209 178.321 176.117 -0.009 0.000 1.117 46 I CA 1.062 62.360 61.300 -0.003 0.000 1.404 46 I CB -0.489 37.516 38.000 0.007 0.000 1.071 46 I HN 0.201 nan 8.210 nan 0.000 0.419 47 G N 0.369 109.168 108.800 -0.003 0.000 2.432 47 G HA2 -0.168 3.790 3.960 -0.003 0.000 0.219 47 G HA3 -0.168 3.790 3.960 -0.003 0.000 0.219 47 G C 1.677 176.571 174.900 -0.010 0.000 1.135 47 G CA 0.758 45.853 45.100 -0.008 0.000 0.767 47 G HN 0.256 nan 8.290 nan 0.000 0.550 48 V N 0.685 120.595 119.914 -0.007 0.000 2.379 48 V HA -0.038 4.080 4.120 -0.003 0.000 0.245 48 V C 2.650 178.736 176.094 -0.013 0.000 1.044 48 V CA 1.116 63.412 62.300 -0.007 0.000 1.036 48 V CB -0.353 31.468 31.823 -0.003 0.000 0.664 48 V HN 0.350 nan 8.190 nan 0.000 0.453 49 L N -0.475 120.737 121.223 -0.018 0.000 2.083 49 L HA -0.167 4.171 4.340 -0.003 0.000 0.209 49 L C 2.279 179.129 176.870 -0.034 0.000 1.083 49 L CA 1.790 56.612 54.840 -0.030 0.000 0.752 49 L CB -0.173 41.861 42.059 -0.042 0.000 0.899 49 L HN 0.320 nan 8.230 nan 0.000 0.433 50 L N -0.418 120.787 121.223 -0.030 0.000 2.362 50 L HA -0.116 4.222 4.340 -0.003 0.000 0.219 50 L C 2.417 179.274 176.870 -0.022 0.000 1.134 50 L CA 0.687 55.510 54.840 -0.029 0.000 0.807 50 L CB -0.450 41.595 42.059 -0.023 0.000 0.927 50 L HN 0.258 nan 8.230 nan 0.000 0.447 51 A N -1.299 121.510 122.820 -0.018 0.000 2.238 51 A HA 0.029 4.347 4.320 -0.003 0.000 0.208 51 A C 0.899 178.474 177.584 -0.015 0.000 1.177 51 A CA 0.373 52.401 52.037 -0.014 0.000 0.804 51 A CB -0.159 18.835 19.000 -0.011 0.000 0.823 51 A HN 0.174 nan 8.150 nan 0.000 0.482 52 E N 0.256 120.445 120.200 -0.019 0.000 2.280 52 E HA 0.373 4.721 4.350 -0.003 0.000 0.261 52 E C -2.703 173.884 176.600 -0.021 0.000 1.088 52 E CA -2.280 54.108 56.400 -0.020 0.000 0.915 52 E CB 0.040 29.726 29.700 -0.024 0.000 1.141 52 E HN 0.008 nan 8.360 nan 0.000 0.433 53 P HA 0.237 nan 4.420 nan 0.000 0.276 53 P C -0.781 176.504 177.300 -0.024 0.000 1.243 53 P CA 0.266 63.356 63.100 -0.017 0.000 0.768 53 P CB 0.421 32.113 31.700 -0.013 0.000 0.856 54 L N 4.786 125.994 121.223 -0.024 0.000 2.424 54 L HA 0.551 4.889 4.340 -0.003 0.000 0.258 54 L C -2.399 174.458 176.870 -0.022 0.000 0.995 54 L CA -2.490 52.330 54.840 -0.033 0.000 0.821 54 L CB 1.988 44.018 42.059 -0.048 0.000 1.383 54 L HN 0.143 nan 8.230 nan 0.000 0.410 55 P HA 0.093 nan 4.420 nan 0.000 0.269 55 P C -0.210 177.094 177.300 0.006 0.000 1.209 55 P CA -0.275 62.828 63.100 0.004 0.000 0.776 55 P CB 0.645 32.357 31.700 0.020 0.000 0.876 56 D N 1.317 121.729 120.400 0.019 0.000 2.149 56 D HA -0.177 4.461 4.640 -0.003 0.000 0.198 56 D C 1.286 177.602 176.300 0.026 0.000 0.990 56 D CA 1.408 55.419 54.000 0.018 0.000 0.839 56 D CB -0.249 40.566 40.800 0.024 0.000 0.948 56 D HN 0.575 nan 8.370 nan 0.000 0.460 57 D N 0.883 121.319 120.400 0.060 0.000 2.144 57 D HA -0.109 4.529 4.640 -0.003 0.000 0.200 57 D C 2.183 178.512 176.300 0.049 0.000 0.978 57 D CA 0.507 54.562 54.000 0.091 0.000 0.833 57 D CB -0.588 40.320 40.800 0.180 0.000 0.961 57 D HN 0.133 nan 8.370 nan 0.000 0.470 58 V N 1.059 120.977 119.914 0.007 0.000 2.358 58 V HA -0.194 3.925 4.120 -0.003 0.000 0.246 58 V C 2.855 178.856 176.094 -0.155 0.000 1.047 58 V CA 1.689 63.903 62.300 -0.143 0.000 1.035 58 V CB -0.735 30.985 31.823 -0.172 0.000 0.658 58 V HN 0.181 nan 8.190 nan 0.000 0.452 59 R N 0.532 120.981 120.500 -0.085 0.000 2.073 59 R HA -0.155 4.183 4.340 -0.003 0.000 0.234 59 R C 2.307 178.568 176.300 -0.064 0.000 1.134 59 R CA 1.732 57.792 56.100 -0.067 0.000 0.952 59 R CB -0.490 29.790 30.300 -0.032 0.000 0.850 59 R HN 0.449 nan 8.270 nan 0.000 0.433 60 A N 0.803 123.597 122.820 -0.044 0.000 1.908 60 A HA -0.128 4.190 4.320 -0.003 0.000 0.218 60 A C 2.376 179.917 177.584 -0.072 0.000 1.181 60 A CA 1.798 53.825 52.037 -0.016 0.000 0.627 60 A CB -0.826 18.189 19.000 0.025 0.000 0.818 60 A HN 0.580 nan 8.150 nan 0.000 0.445 61 A N -0.239 122.433 122.820 -0.246 0.000 1.858 61 A HA -0.029 4.289 4.320 -0.003 0.000 0.216 61 A C 2.169 179.469 177.584 -0.472 0.000 1.190 61 A CA 1.489 53.114 52.037 -0.687 0.000 0.617 61 A CB -0.675 17.646 19.000 -1.131 0.000 0.827 61 A HN 0.466 nan 8.150 nan 0.000 0.443 62 L N -0.244 120.800 121.223 -0.298 0.000 2.083 62 L HA -0.168 4.170 4.340 -0.003 0.000 0.209 62 L C 2.810 179.662 176.870 -0.030 0.000 1.083 62 L CA 1.414 56.161 54.840 -0.155 0.000 0.752 62 L CB -0.427 41.554 42.059 -0.130 0.000 0.899 62 L HN 0.329 nan 8.230 nan 0.000 0.433 63 S N -0.094 115.606 115.700 -0.000 0.000 2.368 63 S HA -0.129 4.339 4.470 -0.003 0.000 0.224 63 S C 2.212 176.957 174.600 0.243 0.000 1.029 63 S CA 1.129 59.389 58.200 0.100 0.000 0.988 63 S CB -0.232 63.024 63.200 0.094 0.000 0.838 63 S HN 0.500 nan 8.310 nan 0.000 0.462 64 A N 1.486 124.420 122.820 0.189 0.000 1.898 64 A HA -0.002 4.316 4.320 -0.003 0.000 0.216 64 A C 2.044 179.842 177.584 0.357 0.000 1.181 64 A CA 1.063 53.270 52.037 0.283 0.000 0.620 64 A CB -0.695 18.521 19.000 0.360 0.000 0.819 64 A HN 0.475 nan 8.150 nan 0.000 0.442 65 I N -0.337 120.395 120.570 0.271 0.000 2.264 65 I HA -0.318 3.851 4.170 -0.003 0.000 0.248 65 I C 2.734 178.999 176.117 0.247 0.000 1.111 65 I CA 1.320 62.807 61.300 0.312 0.000 1.382 65 I CB -0.362 37.758 38.000 0.200 0.000 1.060 65 I HN 0.455 nan 8.210 nan 0.000 0.418 66 Q N -0.174 119.733 119.800 0.178 0.000 2.124 66 Q HA -0.245 4.093 4.340 -0.003 0.000 0.202 66 Q C 2.123 178.175 176.000 0.088 0.000 0.977 66 Q CA 1.659 57.519 55.803 0.094 0.000 0.850 66 Q CB -0.211 28.529 28.738 0.003 0.000 0.901 66 Q HN 0.635 nan 8.270 nan 0.000 0.429 67 H N 0.489 119.630 119.070 0.118 0.000 2.357 67 H HA -0.090 4.464 4.556 -0.003 0.000 0.301 67 H C 1.630 177.055 175.328 0.162 0.000 1.082 67 H CA 1.433 57.557 56.048 0.128 0.000 1.342 67 H CB 0.040 29.868 29.762 0.110 0.000 1.389 67 H HN 0.224 nan 8.280 nan 0.000 0.511 68 D N 0.338 120.896 120.400 0.263 0.000 2.097 68 D HA -0.126 4.512 4.640 -0.003 0.000 0.195 68 D C 2.213 178.447 176.300 -0.110 0.000 0.989 68 D CA 0.822 54.853 54.000 0.051 0.000 0.827 68 D CB -0.366 40.457 40.800 0.039 0.000 0.966 68 D HN 0.310 nan 8.370 nan 0.000 0.456 69 L N -0.291 120.930 121.223 -0.004 0.000 2.131 69 L HA -0.134 4.204 4.340 -0.003 0.000 0.210 69 L C 2.346 179.224 176.870 0.013 0.000 1.092 69 L CA 0.552 55.381 54.840 -0.019 0.000 0.759 69 L CB -0.351 41.748 42.059 0.067 0.000 0.903 69 L HN -0.037 nan 8.230 nan 0.000 0.435 70 F N 1.314 121.234 119.950 -0.049 0.000 2.102 70 F HA -0.241 4.284 4.527 -0.003 0.000 0.298 70 F C 2.225 178.005 175.800 -0.033 0.000 1.105 70 F CA 1.739 59.715 58.000 -0.040 0.000 1.239 70 F CB -0.153 38.820 39.000 -0.045 0.000 0.991 70 F HN 0.105 nan 8.300 nan 0.000 0.474 71 D N 0.470 120.928 120.400 0.097 0.000 2.144 71 D HA -0.184 4.454 4.640 -0.003 0.000 0.199 71 D C 2.396 178.606 176.300 -0.151 0.000 0.984 71 D CA 1.221 55.219 54.000 -0.003 0.000 0.834 71 D CB -0.589 40.219 40.800 0.014 0.000 0.955 71 D HN 0.379 nan 8.370 nan 0.000 0.465 72 L N 0.604 121.701 121.223 -0.210 0.000 2.056 72 L HA -0.058 4.280 4.340 -0.003 0.000 0.207 72 L C 2.287 179.052 176.870 -0.175 0.000 1.078 72 L CA 1.687 56.387 54.840 -0.234 0.000 0.749 72 L CB -0.463 41.436 42.059 -0.268 0.000 0.901 72 L HN 0.048 nan 8.230 nan 0.000 0.433 73 G N -1.103 107.587 108.800 -0.182 0.000 2.422 73 G HA2 -0.222 3.736 3.960 -0.003 0.000 0.218 73 G HA3 -0.222 3.736 3.960 -0.003 0.000 0.218 73 G C 1.456 176.238 174.900 -0.196 0.000 1.146 73 G CA 0.595 45.585 45.100 -0.183 0.000 0.769 73 G HN 0.557 nan 8.290 nan 0.000 0.547 74 G N 0.350 109.006 108.800 -0.240 0.000 2.418 74 G HA2 -0.173 3.785 3.960 -0.003 0.000 0.217 74 G HA3 -0.173 3.785 3.960 -0.003 0.000 0.217 74 G C 1.516 176.436 174.900 0.034 0.000 1.158 74 G CA 1.100 46.121 45.100 -0.131 0.000 0.771 74 G HN 0.531 nan 8.290 nan 0.000 0.545 75 E N -0.110 120.052 120.200 -0.062 0.000 2.110 75 E HA -0.028 4.320 4.350 -0.003 0.000 0.193 75 E C 2.415 178.969 176.600 -0.076 0.000 0.988 75 E CA 0.450 56.761 56.400 -0.149 0.000 0.804 75 E CB -0.152 29.393 29.700 -0.259 0.000 0.745 75 E HN 0.461 nan 8.360 nan 0.000 0.458 76 L N -0.153 121.025 121.223 -0.075 0.000 2.240 76 L HA -0.086 4.252 4.340 -0.003 0.000 0.211 76 L C 2.598 179.445 176.870 -0.038 0.000 1.106 76 L CA 0.370 55.177 54.840 -0.056 0.000 0.793 76 L CB -0.072 41.951 42.059 -0.060 0.000 0.927 76 L HN 0.372 nan 8.230 nan 0.000 0.446 77 C N -0.369 118.907 119.300 -0.039 0.000 2.551 77 C HA 0.256 4.714 4.460 -0.003 0.000 0.277 77 C C 1.250 176.235 174.990 -0.008 0.000 1.349 77 C CA -0.420 58.577 59.018 -0.034 0.000 1.750 77 C CB -0.208 27.493 27.740 -0.066 0.000 2.058 77 C HN 0.191 nan 8.230 nan 0.000 0.518 78 I N 2.639 123.229 120.570 0.034 0.000 2.330 78 I HA 0.317 4.486 4.170 -0.003 0.000 0.286 78 I C -2.269 173.896 176.117 0.081 0.000 1.025 78 I CA -1.846 59.487 61.300 0.056 0.000 1.197 78 I CB 1.029 39.066 38.000 0.061 0.000 1.358 78 I HN 0.014 nan 8.210 nan 0.000 0.467 79 P HA 0.019 nan 4.420 nan 0.000 0.268 79 P C 0.896 178.230 177.300 0.056 0.000 1.208 79 P CA 0.456 63.576 63.100 0.033 0.000 0.777 79 P CB 0.566 32.275 31.700 0.015 0.000 0.875 80 G N 0.343 109.168 108.800 0.042 0.000 2.233 80 G HA2 -0.259 3.700 3.960 -0.003 0.000 0.270 80 G HA3 -0.259 3.700 3.960 -0.003 0.000 0.270 80 G C -0.045 174.916 174.900 0.101 0.000 1.011 80 G CA 0.660 45.789 45.100 0.049 0.000 0.762 80 G HN 0.890 nan 8.290 nan 0.000 0.511 81 H N -0.435 118.624 119.070 -0.018 0.000 2.744 81 H HA 0.736 5.290 4.556 -0.003 0.000 0.339 81 H C -0.164 175.148 175.328 -0.027 0.000 1.004 81 H CA 0.207 56.244 56.048 -0.019 0.000 1.257 81 H CB 1.175 30.922 29.762 -0.024 0.000 1.552 81 H HN 0.609 nan 8.280 nan 0.000 0.522 82 A N 3.163 125.714 122.820 -0.449 0.000 2.337 82 A HA 0.805 5.123 4.320 -0.003 0.000 0.331 82 A C 0.052 177.304 177.584 -0.553 0.000 1.137 82 A CA -0.037 51.741 52.037 -0.431 0.000 0.807 82 A CB 1.147 20.044 19.000 -0.172 0.000 1.250 82 A HN 1.043 nan 8.150 nan 0.000 0.468 83 A N 0.806 123.388 122.820 -0.397 0.000 1.999 83 A HA 0.400 4.718 4.320 -0.003 0.000 0.190 83 A C 0.086 177.533 177.584 -0.228 0.000 1.737 83 A CA 0.168 52.061 52.037 -0.239 0.000 1.257 83 A CB 0.151 19.019 19.000 -0.219 0.000 1.401 83 A HN 0.563 nan 8.150 nan 0.000 0.430 84 I N 3.174 123.560 120.570 -0.307 0.000 2.352 84 I HA 0.358 4.526 4.170 -0.003 0.000 0.290 84 I C 0.661 176.768 176.117 -0.016 0.000 1.036 84 I CA 0.533 61.606 61.300 -0.379 0.000 1.336 84 I CB 0.163 37.971 38.000 -0.321 0.000 1.407 84 I HN 0.431 nan 8.210 nan 0.000 0.497 85 T N 0.853 115.591 114.554 0.305 0.000 2.883 85 T HA 0.367 4.715 4.350 -0.003 0.000 0.284 85 T C 0.773 175.595 174.700 0.203 0.000 1.041 85 T CA -0.682 61.553 62.100 0.224 0.000 1.007 85 T CB 1.850 70.834 68.868 0.193 0.000 1.220 85 T HN 0.424 nan 8.240 nan 0.000 0.552 86 D N 0.425 120.887 120.400 0.102 0.000 2.158 86 D HA -0.105 4.534 4.640 -0.003 0.000 0.197 86 D C 2.301 178.628 176.300 0.046 0.000 0.995 86 D CA 1.684 55.724 54.000 0.066 0.000 0.846 86 D CB -0.651 40.167 40.800 0.029 0.000 0.941 86 D HN 0.718 nan 8.370 nan 0.000 0.456 87 A N 1.084 123.908 122.820 0.006 0.000 1.908 87 A HA -0.234 4.084 4.320 -0.003 0.000 0.218 87 A C 1.945 179.467 177.584 -0.103 0.000 1.181 87 A CA 1.431 53.411 52.037 -0.095 0.000 0.627 87 A CB -0.824 18.066 19.000 -0.182 0.000 0.818 87 A HN 0.358 nan 8.150 nan 0.000 0.445 88 H N -0.317 118.788 119.070 0.058 0.000 2.353 88 H HA -0.037 4.517 4.556 -0.003 0.000 0.300 88 H C 2.067 177.495 175.328 0.166 0.000 1.090 88 H CA 1.678 57.821 56.048 0.159 0.000 1.327 88 H CB -0.273 29.621 29.762 0.221 0.000 1.383 88 H HN 0.434 nan 8.280 nan 0.000 0.508 89 L N 0.136 121.503 121.223 0.240 0.000 2.156 89 L HA -0.054 4.284 4.340 -0.003 0.000 0.208 89 L C 2.899 179.777 176.870 0.013 0.000 1.095 89 L CA 0.698 55.606 54.840 0.113 0.000 0.770 89 L CB -0.439 41.680 42.059 0.099 0.000 0.914 89 L HN 0.188 nan 8.230 nan 0.000 0.439 90 A N 0.312 123.122 122.820 -0.016 0.000 1.898 90 A HA -0.219 4.099 4.320 -0.003 0.000 0.216 90 A C 2.439 179.928 177.584 -0.158 0.000 1.181 90 A CA 1.539 53.532 52.037 -0.073 0.000 0.620 90 A CB -0.488 18.464 19.000 -0.080 0.000 0.819 90 A HN 0.311 nan 8.150 nan 0.000 0.442 91 R N -0.347 120.016 120.500 -0.228 0.000 2.081 91 R HA -0.035 4.303 4.340 -0.003 0.000 0.235 91 R C 1.946 177.943 176.300 -0.505 0.000 1.131 91 R CA 1.366 57.158 56.100 -0.513 0.000 0.960 91 R CB -0.375 29.562 30.300 -0.605 0.000 0.856 91 R HN 0.530 nan 8.270 nan 0.000 0.436 92 L N 0.449 121.581 121.223 -0.153 0.000 2.017 92 L HA -0.205 4.133 4.340 -0.003 0.000 0.208 92 L C 1.938 178.847 176.870 0.065 0.000 1.073 92 L CA 1.345 56.225 54.840 0.066 0.000 0.745 92 L CB -0.568 41.462 42.059 -0.047 0.000 0.894 92 L HN 0.227 nan 8.230 nan 0.000 0.432 93 D N 0.240 120.636 120.400 -0.008 0.000 2.149 93 D HA -0.160 4.478 4.640 -0.003 0.000 0.198 93 D C 2.086 178.399 176.300 0.022 0.000 0.990 93 D CA 1.553 55.562 54.000 0.014 0.000 0.839 93 D CB -0.392 40.402 40.800 -0.009 0.000 0.948 93 D HN 0.381 nan 8.370 nan 0.000 0.460 94 G N 0.139 108.898 108.800 -0.068 0.000 2.421 94 G HA2 -0.235 3.723 3.960 -0.003 0.000 0.216 94 G HA3 -0.235 3.723 3.960 -0.003 0.000 0.216 94 G C 1.363 176.297 174.900 0.056 0.000 1.171 94 G CA 0.373 45.419 45.100 -0.089 0.000 0.775 94 G HN 0.219 nan 8.290 nan 0.000 0.543 95 W N 0.636 121.978 121.300 0.070 0.000 2.388 95 W HA 0.163 4.821 4.660 -0.003 0.000 0.294 95 W C 2.483 179.164 176.519 0.269 0.000 1.212 95 W CA 0.180 57.624 57.345 0.166 0.000 1.271 95 W CB -0.945 28.638 29.460 0.204 0.000 1.126 95 W HN 0.166 nan 8.180 nan 0.000 0.535 96 L N 0.012 121.467 121.223 0.387 0.000 2.046 96 L HA -0.192 4.146 4.340 -0.003 0.000 0.208 96 L C 2.660 179.662 176.870 0.220 0.000 1.077 96 L CA 1.613 56.620 54.840 0.278 0.000 0.747 96 L CB -1.061 41.102 42.059 0.174 0.000 0.896 96 L HN -0.153 nan 8.230 nan 0.000 0.432 97 A N -0.891 122.028 122.820 0.165 0.000 1.898 97 A HA -0.284 4.034 4.320 -0.003 0.000 0.216 97 A C 2.052 179.694 177.584 0.097 0.000 1.181 97 A CA 1.774 53.874 52.037 0.105 0.000 0.620 97 A CB -0.822 18.218 19.000 0.066 0.000 0.819 97 A HN 0.529 nan 8.150 nan 0.000 0.442 98 H N -1.740 117.338 119.070 0.013 0.000 2.265 98 H HA -0.230 4.324 4.556 -0.003 0.000 0.295 98 H C 1.812 177.032 175.328 -0.179 0.000 1.084 98 H CA 2.707 58.685 56.048 -0.116 0.000 1.261 98 H CB -0.371 29.282 29.762 -0.181 0.000 1.360 98 H HN 0.515 nan 8.280 nan 0.000 0.487 99 Y N 0.058 120.462 120.300 0.174 0.000 2.263 99 Y HA -0.067 4.482 4.550 -0.003 0.000 0.292 99 Y C 2.653 178.563 175.900 0.018 0.000 1.130 99 Y CA 1.364 59.505 58.100 0.068 0.000 1.179 99 Y CB -0.602 37.933 38.460 0.125 0.000 0.998 99 Y HN 0.363 nan 8.280 nan 0.000 0.532 100 N N -0.594 118.217 118.700 0.184 0.000 2.223 100 N HA -0.151 4.588 4.740 -0.003 0.000 0.185 100 N C 2.077 177.618 175.510 0.052 0.000 1.016 100 N CA 0.807 53.927 53.050 0.117 0.000 0.863 100 N CB -0.385 38.170 38.487 0.114 0.000 0.983 100 N HN 0.395 nan 8.380 nan 0.000 0.429 101 G N -0.021 108.783 108.800 0.006 0.000 2.509 101 G HA2 -0.211 3.747 3.960 -0.003 0.000 0.218 101 G HA3 -0.211 3.747 3.960 -0.003 0.000 0.218 101 G C 1.240 176.111 174.900 -0.049 0.000 1.124 101 G CA 0.338 45.418 45.100 -0.033 0.000 0.776 101 G HN 0.379 nan 8.290 nan 0.000 0.547 102 Q N -0.772 118.998 119.800 -0.051 0.000 2.424 102 Q HA 0.288 4.626 4.340 -0.003 0.000 0.204 102 Q C 0.334 176.335 176.000 0.001 0.000 0.933 102 Q CA 0.018 55.797 55.803 -0.039 0.000 0.929 102 Q CB 0.260 28.980 28.738 -0.030 0.000 1.037 102 Q HN 0.371 nan 8.270 nan 0.000 0.511 103 L N 1.521 122.754 121.223 0.017 0.000 2.330 103 L HA 0.492 4.830 4.340 -0.003 0.000 0.271 103 L C -2.132 174.748 176.870 0.017 0.000 1.013 103 L CA -2.354 52.498 54.840 0.020 0.000 0.816 103 L CB 1.021 43.099 42.059 0.032 0.000 1.287 103 L HN -0.071 nan 8.230 nan 0.000 0.435 104 P HA 0.239 nan 4.420 nan 0.000 0.277 104 P C -2.642 174.670 177.300 0.020 0.000 1.240 104 P CA -1.326 61.781 63.100 0.012 0.000 0.798 104 P CB -0.026 31.678 31.700 0.007 0.000 0.979 105 P HA 0.064 nan 4.420 nan 0.000 0.268 105 P C -0.349 176.963 177.300 0.021 0.000 1.205 105 P CA -0.269 62.843 63.100 0.021 0.000 0.771 105 P CB 0.478 32.183 31.700 0.008 0.000 0.858 106 L N 3.633 124.878 121.223 0.036 0.000 2.385 106 L HA 0.054 4.393 4.340 -0.003 0.000 0.281 106 L C 1.383 178.242 176.870 -0.018 0.000 1.106 106 L CA 0.718 55.580 54.840 0.036 0.000 0.856 106 L CB -0.208 41.910 42.059 0.098 0.000 1.186 106 L HN 0.320 nan 8.230 nan 0.000 0.453 107 E N 2.945 123.129 120.200 -0.027 0.000 2.400 107 E HA 0.109 4.458 4.350 -0.003 0.000 0.195 107 E C 0.154 176.693 176.600 -0.101 0.000 1.012 107 E CA 0.252 56.618 56.400 -0.056 0.000 0.875 107 E CB 0.794 30.476 29.700 -0.030 0.000 0.859 107 E HN 0.554 nan 8.360 nan 0.000 0.498 108 E N -0.115 120.032 120.200 -0.088 0.000 2.408 108 E HA 0.290 4.638 4.350 -0.003 0.000 0.275 108 E C -1.075 175.482 176.600 -0.072 0.000 0.935 108 E CA -0.796 55.538 56.400 -0.111 0.000 0.775 108 E CB 1.503 31.204 29.700 0.002 0.000 1.277 108 E HN -0.183 nan 8.360 nan 0.000 0.455 109 F N 2.065 122.046 119.950 0.051 0.000 2.563 109 F HA 0.154 4.681 4.527 0.000 0.000 0.363 109 F C 1.138 176.983 175.800 0.074 0.000 1.123 109 F CA -0.001 58.038 58.000 0.065 0.000 1.307 109 F CB 0.292 39.314 39.000 0.037 0.000 1.115 109 F HN 0.236 nan 8.300 nan 0.000 0.592 110 I N 1.085 121.842 120.570 0.312 0.000 2.797 110 I HA 0.618 4.786 4.170 -0.003 0.000 0.307 110 I C -1.289 174.899 176.117 0.119 0.000 1.033 110 I CA -1.033 60.378 61.300 0.185 0.000 1.071 110 I CB 1.943 40.040 38.000 0.162 0.000 1.255 110 I HN 0.370 nan 8.210 nan 0.000 0.445 111 L N 4.112 125.347 121.223 0.021 0.000 2.325 111 L HA 0.528 4.866 4.340 -0.003 0.000 0.279 111 L C -2.172 174.573 176.870 -0.208 0.000 1.054 111 L CA -1.869 52.938 54.840 -0.056 0.000 0.804 111 L CB 1.459 43.495 42.059 -0.038 0.000 1.200 111 L HN 0.459 nan 8.230 nan 0.000 0.436 112 P HA 0.261 nan 4.420 nan 0.000 0.271 112 P C -0.175 176.953 177.300 -0.287 0.000 1.233 112 P CA 0.331 63.013 63.100 -0.697 0.000 0.764 112 P CB 1.211 32.648 31.700 -0.438 0.000 0.825 113 G N 1.128 109.827 108.800 -0.168 0.000 2.350 113 G HA2 0.496 4.454 3.960 -0.003 0.000 0.276 113 G HA3 0.496 4.454 3.960 -0.003 0.000 0.276 113 G C -0.413 174.502 174.900 0.025 0.000 1.313 113 G CA 0.692 45.783 45.100 -0.016 0.000 0.903 113 G HN 0.803 nan 8.290 nan 0.000 0.490 114 G N -0.907 107.900 108.800 0.012 0.000 2.545 114 G HA2 0.474 4.432 3.960 -0.003 0.000 0.211 114 G HA3 0.474 4.432 3.960 -0.003 0.000 0.211 114 G C 0.717 175.622 174.900 0.008 0.000 1.167 114 G CA 1.206 46.312 45.100 0.009 0.000 1.151 114 G HN 2.490 nan 8.290 nan 0.000 0.581 115 A N 0.312 123.134 122.820 0.003 0.000 2.483 115 A HA 0.584 4.902 4.320 -0.003 0.000 0.238 115 A C 1.640 179.224 177.584 0.000 0.000 1.070 115 A CA 1.410 53.446 52.037 -0.003 0.000 0.770 115 A CB 0.244 19.237 19.000 -0.012 0.000 1.008 115 A HN 1.363 nan 8.150 nan 0.000 0.497 116 R N 1.588 122.087 120.500 -0.003 0.000 2.113 116 R HA -0.198 4.140 4.340 -0.003 0.000 0.244 116 R C 2.011 178.307 176.300 -0.006 0.000 1.142 116 R CA 2.380 58.480 56.100 -0.001 0.000 0.953 116 R CB -0.768 29.530 30.300 -0.004 0.000 0.860 116 R HN 0.877 nan 8.270 nan 0.000 0.438 117 G N -0.456 108.333 108.800 -0.018 0.000 2.422 117 G HA2 -0.267 3.691 3.960 -0.003 0.000 0.218 117 G HA3 -0.267 3.691 3.960 -0.003 0.000 0.218 117 G C 1.502 176.376 174.900 -0.044 0.000 1.146 117 G CA 0.778 45.858 45.100 -0.034 0.000 0.769 117 G HN 0.519 nan 8.290 nan 0.000 0.547 118 A N 1.136 123.936 122.820 -0.034 0.000 1.898 118 A HA 0.324 4.642 4.320 -0.003 0.000 0.216 118 A C 2.821 180.431 177.584 0.043 0.000 1.181 118 A CA 2.130 54.145 52.037 -0.036 0.000 0.620 118 A CB -0.777 18.217 19.000 -0.010 0.000 0.819 118 A HN 0.752 nan 8.150 nan 0.000 0.442 119 A N -0.176 122.687 122.820 0.071 0.000 1.902 119 A HA -0.062 4.256 4.320 -0.003 0.000 0.217 119 A C 2.154 179.789 177.584 0.084 0.000 1.181 119 A CA 1.525 53.627 52.037 0.108 0.000 0.623 119 A CB -0.637 18.395 19.000 0.053 0.000 0.818 119 A HN 0.469 nan 8.150 nan 0.000 0.443 120 L N -0.852 120.389 121.223 0.029 0.000 2.131 120 L HA -0.188 4.150 4.340 -0.003 0.000 0.210 120 L C 3.046 179.914 176.870 -0.003 0.000 1.092 120 L CA 0.930 55.778 54.840 0.013 0.000 0.759 120 L CB -0.473 41.582 42.059 -0.006 0.000 0.903 120 L HN 0.451 nan 8.230 nan 0.000 0.435 121 A N -1.080 121.710 122.820 -0.049 0.000 1.930 121 A HA -0.216 4.102 4.320 -0.003 0.000 0.217 121 A C 2.120 179.639 177.584 -0.109 0.000 1.175 121 A CA 1.250 53.219 52.037 -0.115 0.000 0.627 121 A CB -0.669 18.205 19.000 -0.210 0.000 0.815 121 A HN 0.399 nan 8.150 nan 0.000 0.443 122 H N -0.754 118.312 119.070 -0.006 0.000 2.389 122 H HA -0.057 4.498 4.556 -0.003 0.000 0.299 122 H C 2.293 177.641 175.328 0.034 0.000 1.081 122 H CA 1.669 57.734 56.048 0.029 0.000 1.345 122 H CB -0.220 29.558 29.762 0.027 0.000 1.393 122 H HN 0.295 nan 8.280 nan 0.000 0.520 123 V N 0.113 120.104 119.914 0.128 0.000 2.295 123 V HA -0.263 3.855 4.120 -0.003 0.000 0.246 123 V C 2.816 178.945 176.094 0.059 0.000 1.049 123 V CA 1.489 63.837 62.300 0.080 0.000 1.024 123 V CB -0.663 31.191 31.823 0.051 0.000 0.648 123 V HN 0.486 nan 8.190 nan 0.000 0.447 124 C N -0.341 118.981 119.300 0.037 0.000 2.413 124 C HA -0.193 4.265 4.460 -0.003 0.000 0.276 124 C C 2.923 177.937 174.990 0.040 0.000 1.248 124 C CA 1.563 60.596 59.018 0.026 0.000 1.742 124 C CB -1.224 26.516 27.740 0.001 0.000 2.017 124 C HN 0.572 nan 8.230 nan 0.000 0.481 125 R N 1.061 121.591 120.500 0.049 0.000 2.091 125 R HA -0.182 4.156 4.340 -0.003 0.000 0.238 125 R C 2.213 178.563 176.300 0.083 0.000 1.136 125 R CA 2.446 58.592 56.100 0.076 0.000 0.959 125 R CB -0.581 29.793 30.300 0.124 0.000 0.856 125 R HN 0.727 nan 8.270 nan 0.000 0.437 126 T N -2.130 112.477 114.554 0.089 0.000 2.857 126 T HA -0.021 4.327 4.350 -0.003 0.000 0.266 126 T C 1.959 176.689 174.700 0.051 0.000 1.048 126 T CA 1.176 63.318 62.100 0.070 0.000 1.139 126 T CB -0.340 68.569 68.868 0.068 0.000 0.874 126 T HN 0.071 nan 8.240 nan 0.000 0.455 127 V N 0.781 120.723 119.914 0.047 0.000 2.515 127 V HA -0.109 4.009 4.120 -0.003 0.000 0.250 127 V C 3.048 179.167 176.094 0.042 0.000 1.058 127 V CA 1.225 63.548 62.300 0.039 0.000 1.064 127 V CB -0.949 30.895 31.823 0.035 0.000 0.675 127 V HN 0.763 nan 8.190 nan 0.000 0.461 128 C N 0.471 119.800 119.300 0.049 0.000 2.446 128 C HA -0.111 4.347 4.460 -0.003 0.000 0.277 128 C C 3.041 178.061 174.990 0.050 0.000 1.275 128 C CA 0.813 59.864 59.018 0.056 0.000 1.727 128 C CB -1.004 26.772 27.740 0.060 0.000 2.010 128 C HN 0.463 nan 8.230 nan 0.000 0.486 129 R N 0.622 121.149 120.500 0.045 0.000 2.096 129 R HA -0.098 4.241 4.340 -0.003 0.000 0.235 129 R C 2.343 178.661 176.300 0.031 0.000 1.127 129 R CA 1.467 57.589 56.100 0.036 0.000 0.968 129 R CB -0.960 29.360 30.300 0.034 0.000 0.861 129 R HN 0.662 nan 8.270 nan 0.000 0.440 130 R N 0.577 121.095 120.500 0.030 0.000 2.081 130 R HA -0.064 4.274 4.340 -0.003 0.000 0.235 130 R C 2.052 178.366 176.300 0.023 0.000 1.131 130 R CA 1.620 57.735 56.100 0.024 0.000 0.960 130 R CB -0.281 30.033 30.300 0.023 0.000 0.856 130 R HN 0.185 nan 8.270 nan 0.000 0.436 131 A N 0.636 123.474 122.820 0.029 0.000 1.930 131 A HA -0.194 4.124 4.320 -0.003 0.000 0.217 131 A C 2.049 179.650 177.584 0.029 0.000 1.175 131 A CA 1.581 53.635 52.037 0.028 0.000 0.627 131 A CB -0.585 18.437 19.000 0.038 0.000 0.815 131 A HN 0.635 nan 8.150 nan 0.000 0.443 132 E N -0.093 120.127 120.200 0.035 0.000 2.110 132 E HA -0.209 4.139 4.350 -0.003 0.000 0.193 132 E C 2.184 178.798 176.600 0.022 0.000 0.988 132 E CA 1.028 57.448 56.400 0.033 0.000 0.804 132 E CB -0.120 29.601 29.700 0.035 0.000 0.745 132 E HN 0.598 nan 8.360 nan 0.000 0.458 133 R N 0.050 120.562 120.500 0.019 0.000 2.096 133 R HA -0.058 4.280 4.340 -0.003 0.000 0.235 133 R C 2.609 178.915 176.300 0.010 0.000 1.127 133 R CA 1.404 57.512 56.100 0.013 0.000 0.968 133 R CB -0.195 30.112 30.300 0.012 0.000 0.861 133 R HN 0.092 nan 8.270 nan 0.000 0.440 134 S N 0.975 116.682 115.700 0.011 0.000 2.368 134 S HA -0.040 4.428 4.470 -0.003 0.000 0.224 134 S C 1.981 176.584 174.600 0.005 0.000 1.029 134 S CA 0.902 59.106 58.200 0.007 0.000 0.988 134 S CB -0.084 63.120 63.200 0.006 0.000 0.838 134 S HN 0.200 nan 8.310 nan 0.000 0.462 135 I N 1.009 121.584 120.570 0.008 0.000 2.226 135 I HA -0.135 4.033 4.170 -0.003 0.000 0.245 135 I C 2.118 178.238 176.117 0.005 0.000 1.100 135 I CA 0.819 62.122 61.300 0.005 0.000 1.374 135 I CB -0.350 37.658 38.000 0.012 0.000 1.057 135 I HN 0.140 nan 8.210 nan 0.000 0.413 136 V N 0.947 120.867 119.914 0.009 0.000 2.358 136 V HA -0.282 3.837 4.120 -0.003 0.000 0.246 136 V C 2.706 178.803 176.094 0.004 0.000 1.047 136 V CA 1.966 64.270 62.300 0.007 0.000 1.035 136 V CB -0.935 30.893 31.823 0.009 0.000 0.658 136 V HN 0.490 nan 8.190 nan 0.000 0.452 137 A N -0.100 122.722 122.820 0.003 0.000 1.902 137 A HA -0.207 4.111 4.320 -0.003 0.000 0.217 137 A C 2.164 179.747 177.584 -0.000 0.000 1.181 137 A CA 2.144 54.182 52.037 0.002 0.000 0.623 137 A CB -0.586 18.415 19.000 0.002 0.000 0.818 137 A HN 0.464 nan 8.150 nan 0.000 0.443 138 L N 0.192 121.414 121.223 -0.001 0.000 2.017 138 L HA -0.014 4.324 4.340 -0.003 0.000 0.208 138 L C 2.287 179.154 176.870 -0.004 0.000 1.073 138 L CA 2.483 57.321 54.840 -0.004 0.000 0.745 138 L CB -1.127 40.928 42.059 -0.007 0.000 0.894 138 L HN 0.268 nan 8.230 nan 0.000 0.432 139 G N -1.454 107.344 108.800 -0.003 0.000 2.625 139 G HA2 -0.072 3.886 3.960 -0.003 0.000 0.214 139 G HA3 -0.072 3.886 3.960 -0.003 0.000 0.214 139 G C 1.400 176.299 174.900 -0.002 0.000 1.132 139 G CA 0.563 45.661 45.100 -0.003 0.000 0.782 139 G HN 0.651 nan 8.290 nan 0.000 0.538 140 A N 0.488 123.307 122.820 -0.001 0.000 2.169 140 A HA 0.309 4.627 4.320 -0.003 0.000 0.212 140 A C 2.177 179.760 177.584 -0.001 0.000 1.153 140 A CA 1.685 53.722 52.037 -0.000 0.000 0.756 140 A CB 0.024 19.025 19.000 0.000 0.000 0.813 140 A HN 0.706 nan 8.150 nan 0.000 0.471 141 S N -2.271 113.428 115.700 -0.002 0.000 2.817 141 S HA 0.381 4.849 4.470 -0.003 0.000 0.262 141 S C -0.277 174.321 174.600 -0.003 0.000 1.051 141 S CA -0.246 57.953 58.200 -0.002 0.000 1.185 141 S CB 0.293 63.492 63.200 -0.002 0.000 1.152 141 S HN 0.192 nan 8.310 nan 0.000 0.653 142 E N 2.545 122.743 120.200 -0.004 0.000 2.331 142 E HA 0.517 4.865 4.350 -0.003 0.000 0.275 142 E C -3.102 173.494 176.600 -0.006 0.000 0.895 142 E CA -1.933 54.464 56.400 -0.005 0.000 0.753 142 E CB 2.369 32.065 29.700 -0.007 0.000 1.216 142 E HN 0.050 nan 8.360 nan 0.000 0.434 143 P HA 0.143 nan 4.420 nan 0.000 0.270 143 P C -1.040 176.254 177.300 -0.010 0.000 1.242 143 P CA -0.270 62.826 63.100 -0.007 0.000 0.768 143 P CB 0.478 32.175 31.700 -0.005 0.000 0.820 144 L N 4.098 125.314 121.223 -0.011 0.000 2.388 144 L HA 0.416 4.755 4.340 -0.003 0.000 0.264 144 L C 0.261 177.122 176.870 -0.015 0.000 0.998 144 L CA -0.815 54.015 54.840 -0.016 0.000 0.817 144 L CB 1.726 43.776 42.059 -0.014 0.000 1.338 144 L HN 0.244 nan 8.230 nan 0.000 0.414 145 N N 1.127 119.813 118.700 -0.024 0.000 2.444 145 N HA 0.233 4.971 4.740 -0.003 0.000 0.255 145 N C 0.557 176.062 175.510 -0.009 0.000 1.255 145 N CA 0.465 53.504 53.050 -0.019 0.000 0.933 145 N CB 1.438 39.905 38.487 -0.032 0.000 1.143 145 N HN 0.772 nan 8.380 nan 0.000 0.453 146 A N 1.195 124.015 122.820 0.001 0.000 2.016 146 A HA 0.035 4.353 4.320 -0.003 0.000 0.217 146 A C 2.082 179.681 177.584 0.024 0.000 1.162 146 A CA 1.411 53.455 52.037 0.012 0.000 0.662 146 A CB -0.632 18.376 19.000 0.015 0.000 0.812 146 A HN 0.752 nan 8.150 nan 0.000 0.450 147 A N 0.936 123.769 122.820 0.022 0.000 1.896 147 A HA -0.177 4.141 4.320 -0.003 0.000 0.220 147 A C 0.288 177.911 177.584 0.064 0.000 1.206 147 A CA 2.291 54.353 52.037 0.042 0.000 0.647 147 A CB -1.878 17.131 19.000 0.015 0.000 0.828 147 A HN 0.447 nan 8.150 nan 0.000 0.455 148 P HA -0.186 nan 4.420 nan 0.000 0.214 148 P C 1.827 179.180 177.300 0.088 0.000 1.163 148 P CA 1.672 64.787 63.100 0.024 0.000 0.889 148 P CB -0.157 31.527 31.700 -0.027 0.000 0.790 149 R N -0.006 120.528 120.500 0.057 0.000 2.083 149 R HA -0.127 4.211 4.340 -0.003 0.000 0.237 149 R C 2.263 178.606 176.300 0.073 0.000 1.137 149 R CA 1.602 57.736 56.100 0.057 0.000 0.951 149 R CB -0.242 30.077 30.300 0.033 0.000 0.851 149 R HN 0.080 nan 8.270 nan 0.000 0.434 150 R N -1.217 119.329 120.500 0.077 0.000 2.148 150 R HA -0.155 4.183 4.340 -0.003 0.000 0.227 150 R C 2.048 178.398 176.300 0.084 0.000 1.103 150 R CA 1.345 57.486 56.100 0.068 0.000 0.983 150 R CB -0.322 30.014 30.300 0.061 0.000 0.874 150 R HN 0.343 nan 8.270 nan 0.000 0.451 151 Y N 1.368 121.685 120.300 0.030 0.000 2.109 151 Y HA -0.235 4.312 4.550 -0.004 0.000 0.285 151 Y C 2.257 178.191 175.900 0.056 0.000 1.131 151 Y CA 1.695 59.824 58.100 0.048 0.000 1.121 151 Y CB -0.194 38.285 38.460 0.031 0.000 0.987 151 Y HN -0.119 nan 8.280 nan 0.000 0.495 152 V N -0.611 119.443 119.914 0.234 0.000 2.626 152 V HA -0.260 3.858 4.120 -0.003 0.000 0.252 152 V C 1.979 178.099 176.094 0.043 0.000 1.067 152 V CA 2.211 64.597 62.300 0.143 0.000 1.081 152 V CB -1.263 30.647 31.823 0.146 0.000 0.686 152 V HN 0.626 nan 8.190 nan 0.000 0.468 153 N N 0.879 119.599 118.700 0.032 0.000 2.084 153 N HA -0.220 4.519 4.740 -0.003 0.000 0.190 153 N C 2.180 177.684 175.510 -0.010 0.000 1.030 153 N CA 1.770 54.828 53.050 0.013 0.000 0.849 153 N CB -0.062 38.435 38.487 0.016 0.000 1.012 153 N HN 0.509 nan 8.380 nan 0.000 0.423 154 R N 0.126 120.598 120.500 -0.046 0.000 2.090 154 R HA -0.046 4.292 4.340 -0.003 0.000 0.228 154 R C 2.246 178.510 176.300 -0.060 0.000 1.110 154 R CA 0.537 56.603 56.100 -0.057 0.000 0.973 154 R CB -0.317 29.927 30.300 -0.092 0.000 0.869 154 R HN 0.219 nan 8.270 nan 0.000 0.440 155 L N 0.853 122.003 121.223 -0.122 0.000 2.083 155 L HA -0.135 4.203 4.340 -0.003 0.000 0.209 155 L C 1.855 178.729 176.870 0.006 0.000 1.083 155 L CA 1.787 56.585 54.840 -0.070 0.000 0.752 155 L CB -0.508 41.517 42.059 -0.057 0.000 0.899 155 L HN 0.003 nan 8.230 nan 0.000 0.433 156 S N -0.163 115.548 115.700 0.019 0.000 2.359 156 S HA -0.203 4.265 4.470 -0.003 0.000 0.224 156 S C 1.601 176.240 174.600 0.065 0.000 1.035 156 S CA 1.557 59.783 58.200 0.043 0.000 1.018 156 S CB -0.516 62.705 63.200 0.035 0.000 0.876 156 S HN 0.566 nan 8.310 nan 0.000 0.448 157 D N 0.902 121.331 120.400 0.049 0.000 2.178 157 D HA -0.038 4.600 4.640 -0.003 0.000 0.202 157 D C 1.859 178.242 176.300 0.139 0.000 0.974 157 D CA 0.517 54.565 54.000 0.080 0.000 0.841 157 D CB -0.317 40.508 40.800 0.043 0.000 0.953 157 D HN 0.219 nan 8.370 nan 0.000 0.478 158 L N 0.603 121.879 121.223 0.089 0.000 2.109 158 L HA -0.038 4.301 4.340 -0.003 0.000 0.207 158 L C 2.112 178.990 176.870 0.013 0.000 1.086 158 L CA 1.183 56.069 54.840 0.078 0.000 0.760 158 L CB -0.457 41.648 42.059 0.076 0.000 0.910 158 L HN -0.037 nan 8.230 nan 0.000 0.437 159 L N -1.757 119.472 121.223 0.009 0.000 2.141 159 L HA -0.202 4.136 4.340 -0.003 0.000 0.209 159 L C 2.387 179.207 176.870 -0.084 0.000 1.094 159 L CA 1.226 56.033 54.840 -0.055 0.000 0.763 159 L CB -0.634 41.410 42.059 -0.025 0.000 0.908 159 L HN 0.305 nan 8.230 nan 0.000 0.437 160 F N 0.218 120.095 119.950 -0.121 0.000 2.102 160 F HA -0.199 4.326 4.527 -0.004 0.000 0.298 160 F C 2.257 177.986 175.800 -0.119 0.000 1.105 160 F CA 1.578 59.502 58.000 -0.126 0.000 1.239 160 F CB -0.279 38.724 39.000 0.005 0.000 0.991 160 F HN -0.265 nan 8.300 nan 0.000 0.474 161 V N 0.941 120.885 119.914 0.049 0.000 2.343 161 V HA -0.313 3.805 4.120 -0.003 0.000 0.247 161 V C 2.508 178.493 176.094 -0.181 0.000 1.051 161 V CA 1.983 64.263 62.300 -0.033 0.000 1.036 161 V CB -0.755 31.136 31.823 0.114 0.000 0.654 161 V HN 0.401 nan 8.190 nan 0.000 0.451 162 L N -0.131 120.953 121.223 -0.233 0.000 2.131 162 L HA -0.147 4.191 4.340 -0.003 0.000 0.210 162 L C 2.716 179.406 176.870 -0.300 0.000 1.092 162 L CA 1.328 55.970 54.840 -0.329 0.000 0.759 162 L CB -0.769 41.081 42.059 -0.349 0.000 0.903 162 L HN 0.378 nan 8.230 nan 0.000 0.435 163 A N 0.414 123.014 122.820 -0.368 0.000 1.883 163 A HA -0.227 4.092 4.320 -0.003 0.000 0.217 163 A C 2.376 179.792 177.584 -0.279 0.000 1.186 163 A CA 1.588 53.382 52.037 -0.404 0.000 0.624 163 A CB -0.476 18.011 19.000 -0.855 0.000 0.822 163 A HN 0.331 nan 8.150 nan 0.000 0.444 164 R N -0.727 119.580 120.500 -0.322 0.000 2.096 164 R HA -0.085 4.253 4.340 -0.003 0.000 0.235 164 R C 2.018 178.242 176.300 -0.127 0.000 1.127 164 R CA 1.421 57.394 56.100 -0.210 0.000 0.968 164 R CB -0.634 29.528 30.300 -0.230 0.000 0.861 164 R HN 0.402 nan 8.270 nan 0.000 0.440 165 V N 1.647 121.480 119.914 -0.134 0.000 2.343 165 V HA -0.220 3.898 4.120 -0.003 0.000 0.247 165 V C 2.299 178.345 176.094 -0.081 0.000 1.051 165 V CA 1.631 63.881 62.300 -0.083 0.000 1.036 165 V CB -0.400 31.353 31.823 -0.117 0.000 0.654 165 V HN 0.294 nan 8.190 nan 0.000 0.451 166 L N -0.011 121.142 121.223 -0.116 0.000 2.141 166 L HA -0.125 4.213 4.340 -0.003 0.000 0.209 166 L C 2.382 179.217 176.870 -0.059 0.000 1.094 166 L CA 1.185 55.972 54.840 -0.088 0.000 0.763 166 L CB -0.653 41.343 42.059 -0.106 0.000 0.908 166 L HN 0.381 nan 8.230 nan 0.000 0.437 167 N N 0.045 118.708 118.700 -0.061 0.000 2.270 167 N HA -0.141 4.597 4.740 -0.003 0.000 0.181 167 N C 1.966 177.460 175.510 -0.028 0.000 1.016 167 N CA 0.856 53.884 53.050 -0.037 0.000 0.870 167 N CB -0.018 38.449 38.487 -0.034 0.000 0.979 167 N HN 0.144 nan 8.380 nan 0.000 0.431 168 R N 1.178 121.660 120.500 -0.031 0.000 2.062 168 R HA 0.110 4.448 4.340 -0.003 0.000 0.231 168 R C 2.058 178.351 176.300 -0.012 0.000 1.136 168 R CA 1.442 57.532 56.100 -0.017 0.000 0.948 168 R CB -0.866 29.427 30.300 -0.012 0.000 0.845 168 R HN 0.159 nan 8.270 nan 0.000 0.430 169 A N 0.082 122.894 122.820 -0.014 0.000 1.978 169 A HA -0.102 4.217 4.320 -0.003 0.000 0.220 169 A C 2.101 179.679 177.584 -0.010 0.000 1.170 169 A CA 1.814 53.845 52.037 -0.009 0.000 0.636 169 A CB -0.853 18.140 19.000 -0.012 0.000 0.810 169 A HN 0.423 nan 8.150 nan 0.000 0.448 170 A N -1.903 120.908 122.820 -0.015 0.000 2.235 170 A HA 0.393 4.711 4.320 -0.003 0.000 0.208 170 A C 1.922 179.501 177.584 -0.008 0.000 1.172 170 A CA 1.210 53.240 52.037 -0.012 0.000 0.786 170 A CB -1.068 17.924 19.000 -0.015 0.000 0.804 170 A HN 1.892 nan 8.150 nan 0.000 0.479 171 G N -2.011 106.784 108.800 -0.007 0.000 2.212 171 G HA2 -0.164 3.794 3.960 -0.003 0.000 0.266 171 G HA3 -0.164 3.794 3.960 -0.003 0.000 0.266 171 G C 0.917 175.814 174.900 -0.005 0.000 0.978 171 G CA 0.655 45.752 45.100 -0.005 0.000 0.632 171 G HN 1.339 nan 8.290 nan 0.000 0.537 172 G N -0.416 108.380 108.800 -0.007 0.000 2.531 172 G HA2 0.883 4.841 3.960 -0.003 0.000 0.253 172 G HA3 0.883 4.841 3.960 -0.003 0.000 0.253 172 G C 0.188 175.084 174.900 -0.007 0.000 1.439 172 G CA 0.818 45.914 45.100 -0.006 0.000 1.056 172 G HN 1.673 nan 8.290 nan 0.000 0.555 173 A N -1.691 121.125 122.820 -0.006 0.000 2.533 173 A HA 0.649 4.967 4.320 -0.003 0.000 0.293 173 A C -1.458 176.122 177.584 -0.006 0.000 1.228 173 A CA -0.643 51.391 52.037 -0.007 0.000 0.689 173 A CB 0.973 19.972 19.000 -0.002 0.000 1.303 173 A HN 0.469 nan 8.150 nan 0.000 0.444 174 D N 0.848 121.244 120.400 -0.005 0.000 2.255 174 D HA 0.412 5.051 4.640 -0.003 0.000 0.249 174 D C -0.139 176.166 176.300 0.008 0.000 1.078 174 D CA 0.046 54.045 54.000 -0.001 0.000 0.896 174 D CB 1.565 42.362 40.800 -0.006 0.000 1.194 174 D HN 0.211 nan 8.370 nan 0.000 0.429 175 V N 3.049 122.965 119.914 0.004 0.000 2.521 175 V HA 0.123 4.241 4.120 -0.003 0.000 0.286 175 V C 0.855 176.964 176.094 0.025 0.000 1.034 175 V CA -0.190 62.113 62.300 0.006 0.000 1.045 175 V CB 0.234 32.050 31.823 -0.012 0.000 0.974 175 V HN 0.288 nan 8.190 nan 0.000 0.480 176 L N 0.000 121.243 121.223 0.034 0.000 2.949 176 L HA 0.000 4.338 4.340 -0.003 0.000 0.249 176 L CA 0.000 54.875 54.840 0.058 0.000 0.813 176 L CB 0.000 42.091 42.059 0.054 0.000 0.961 176 L HN 0.000 nan 8.230 nan 0.000 0.502