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 1qoi_1_A DATA FIRST_RESID 5 DATA SEQUENCE NSSPVNPVVF FDVSIGGQEV GRMKIELFAD VVPKTAENFR QFCTGEFRKD DATA SEQUENCE GVPIGYKGST FHRVIKDFMI QGGDFVNGDG TGVASIYRGP FADENFKLRH DATA SEQUENCE SAPGLLSMAN SGPSTNGCQF FITCSKCDWL DGKHVVFGKI IDGLLVMRKI DATA SEQUENCE ENVPTGPNNK PKLPVVISQC GEM 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 5 N HA 0.000 nan 4.740 nan 0.000 0.220 5 N C 0.000 175.509 175.510 -0.002 0.000 1.280 5 N CA 0.000 53.047 53.050 -0.004 0.000 0.885 5 N CB 0.000 38.484 38.487 -0.004 0.000 1.341 6 S N 0.635 116.333 115.700 -0.002 0.000 2.568 6 S HA 0.326 4.797 4.470 0.002 0.000 0.232 6 S C -0.155 174.445 174.600 0.001 0.000 0.975 6 S CA -0.210 57.989 58.200 -0.000 0.000 0.949 6 S CB 0.391 63.590 63.200 -0.000 0.000 0.829 6 S HN 0.236 nan 8.310 nan 0.000 0.479 7 S N 3.887 119.587 115.700 0.000 0.000 2.531 7 S HA 0.287 4.758 4.470 0.002 0.000 0.279 7 S C -2.211 172.392 174.600 0.006 0.000 1.305 7 S CA -0.817 57.384 58.200 0.002 0.000 1.058 7 S CB 0.357 63.556 63.200 -0.001 0.000 0.899 7 S HN 0.234 nan 8.310 nan 0.000 0.493 8 P HA 0.071 nan 4.420 nan 0.000 0.262 8 P C -0.722 176.588 177.300 0.017 0.000 1.182 8 P CA -0.228 62.879 63.100 0.012 0.000 0.761 8 P CB 0.246 31.954 31.700 0.012 0.000 0.795 9 V N 3.783 123.708 119.914 0.019 0.000 2.843 9 V HA 0.003 4.124 4.120 0.002 0.000 0.305 9 V C 1.027 177.141 176.094 0.033 0.000 1.065 9 V CA -0.197 62.118 62.300 0.025 0.000 1.116 9 V CB 0.091 31.927 31.823 0.022 0.000 0.968 9 V HN 0.557 nan 8.190 nan 0.000 0.487 10 N N 4.474 123.202 118.700 0.047 0.000 2.453 10 N HA 0.229 4.970 4.740 0.002 0.000 0.253 10 N C -2.232 173.299 175.510 0.035 0.000 1.252 10 N CA -1.049 52.036 53.050 0.058 0.000 0.917 10 N CB 0.500 39.050 38.487 0.104 0.000 1.117 10 N HN 0.477 nan 8.380 nan 0.000 0.442 11 P HA 0.094 nan 4.420 nan 0.000 0.271 11 P C -0.675 176.628 177.300 0.005 0.000 1.218 11 P CA -0.109 63.004 63.100 0.021 0.000 0.780 11 P CB 0.758 32.471 31.700 0.023 0.000 0.901 12 V N 2.675 122.599 119.914 0.017 0.000 2.680 12 V HA 0.490 4.611 4.120 0.002 0.000 0.309 12 V C 0.547 176.665 176.094 0.041 0.000 1.052 12 V CA -0.698 61.607 62.300 0.008 0.000 0.908 12 V CB 2.030 33.866 31.823 0.023 0.000 1.001 12 V HN 0.547 nan 8.190 nan 0.000 0.431 13 V N 1.513 121.436 119.914 0.015 0.000 3.126 13 V HA 0.869 4.990 4.120 0.002 0.000 0.314 13 V C -0.935 175.186 176.094 0.045 0.000 1.138 13 V CA -0.951 61.361 62.300 0.020 0.000 1.034 13 V CB 2.015 33.833 31.823 -0.009 0.000 1.075 13 V HN 0.875 nan 8.190 nan 0.000 0.442 14 F N -0.412 119.562 119.950 0.041 0.000 2.588 14 F HA 0.932 5.460 4.527 0.002 0.000 0.314 14 F C -1.715 174.265 175.800 0.300 0.000 1.069 14 F CA -1.516 56.526 58.000 0.071 0.000 0.931 14 F CB 1.917 40.971 39.000 0.090 0.000 1.260 14 F HN 0.418 nan 8.300 nan 0.000 0.465 15 F N 1.740 121.864 119.950 0.291 0.000 2.507 15 F HA 0.359 4.886 4.527 0.002 0.000 0.328 15 F C -0.732 175.262 175.800 0.322 0.000 1.136 15 F CA -1.477 56.662 58.000 0.232 0.000 0.930 15 F CB 1.668 40.801 39.000 0.222 0.000 1.166 15 F HN 0.485 nan 8.300 nan 0.000 0.436 16 D N 3.422 124.117 120.400 0.491 0.000 2.359 16 D HA 0.343 4.984 4.640 0.002 0.000 0.230 16 D C -0.261 176.186 176.300 0.245 0.000 1.118 16 D CA 0.051 54.249 54.000 0.330 0.000 0.844 16 D CB 2.137 43.110 40.800 0.288 0.000 1.059 16 D HN 0.053 nan 8.370 nan 0.000 0.493 17 V N 1.700 121.750 119.914 0.226 0.000 2.539 17 V HA 0.416 4.537 4.120 0.002 0.000 0.292 17 V C 0.498 176.678 176.094 0.143 0.000 1.045 17 V CA -0.414 62.009 62.300 0.205 0.000 0.945 17 V CB 1.792 33.742 31.823 0.213 0.000 0.993 17 V HN 0.450 nan 8.190 nan 0.000 0.464 18 S N 4.575 120.356 115.700 0.135 0.000 2.500 18 S HA 0.766 5.237 4.470 0.002 0.000 0.301 18 S C -0.977 173.681 174.600 0.096 0.000 1.092 18 S CA -0.579 57.679 58.200 0.098 0.000 1.030 18 S CB 0.852 64.101 63.200 0.082 0.000 1.031 18 S HN 0.542 nan 8.310 nan 0.000 0.483 19 I N 3.492 124.105 120.570 0.072 0.000 2.439 19 I HA 0.431 4.602 4.170 0.002 0.000 0.285 19 I C 0.937 177.084 176.117 0.049 0.000 1.021 19 I CA -0.519 60.818 61.300 0.063 0.000 1.091 19 I CB 1.604 39.633 38.000 0.048 0.000 1.242 19 I HN 0.990 nan 8.210 nan 0.000 0.439 20 G N 4.233 113.061 108.800 0.047 0.000 2.249 20 G HA2 -0.159 3.802 3.960 0.002 0.000 0.273 20 G HA3 -0.159 3.802 3.960 0.002 0.000 0.273 20 G C 0.965 175.886 174.900 0.034 0.000 1.036 20 G CA 0.604 45.727 45.100 0.037 0.000 0.824 20 G HN 1.536 nan 8.290 nan 0.000 0.504 21 G N -1.704 107.119 108.800 0.039 0.000 2.159 21 G HA2 -0.213 3.748 3.960 0.002 0.000 0.256 21 G HA3 -0.213 3.748 3.960 0.002 0.000 0.256 21 G C 0.160 175.081 174.900 0.035 0.000 0.977 21 G CA 1.314 46.435 45.100 0.035 0.000 0.652 21 G HN 1.586 nan 8.290 nan 0.000 0.531 22 Q N 0.468 120.292 119.800 0.039 0.000 2.330 22 Q HA 0.445 4.786 4.340 0.002 0.000 0.269 22 Q C -0.454 175.574 176.000 0.046 0.000 1.022 22 Q CA -0.793 55.033 55.803 0.037 0.000 0.796 22 Q CB 0.921 29.678 28.738 0.032 0.000 1.271 22 Q HN 0.287 nan 8.270 nan 0.000 0.450 23 E N 2.747 122.974 120.200 0.047 0.000 2.376 23 E HA 0.025 4.376 4.350 0.002 0.000 0.266 23 E C 0.426 177.058 176.600 0.053 0.000 1.009 23 E CA 0.177 56.611 56.400 0.057 0.000 0.902 23 E CB 1.347 31.080 29.700 0.054 0.000 0.972 23 E HN 0.557 nan 8.360 nan 0.000 0.439 24 V N -0.128 119.823 119.914 0.062 0.000 3.276 24 V HA 0.519 4.640 4.120 0.002 0.000 0.319 24 V C 0.608 176.736 176.094 0.056 0.000 1.427 24 V CA 0.297 62.629 62.300 0.052 0.000 1.102 24 V CB -0.093 31.758 31.823 0.048 0.000 1.020 24 V HN 0.749 nan 8.190 nan 0.000 0.456 25 G N 0.680 109.521 108.800 0.068 0.000 2.440 25 G HA2 0.089 4.050 3.960 0.002 0.000 0.684 25 G HA3 0.089 4.050 3.960 0.002 0.000 0.684 25 G C -0.864 174.099 174.900 0.106 0.000 1.309 25 G CA -0.463 44.679 45.100 0.069 0.000 0.931 25 G HN 0.676 nan 8.290 nan 0.000 0.612 26 R N -0.233 120.325 120.500 0.096 0.000 2.460 26 R HA 0.776 5.117 4.340 0.002 0.000 0.303 26 R C -0.069 176.310 176.300 0.132 0.000 0.968 26 R CA -0.822 55.364 56.100 0.142 0.000 0.889 26 R CB 0.908 31.260 30.300 0.087 0.000 1.123 26 R HN 0.551 nan 8.270 nan 0.000 0.455 27 M N 3.547 123.259 119.600 0.187 0.000 2.227 27 M HA 0.361 4.842 4.480 0.002 0.000 0.335 27 M C -0.712 175.647 176.300 0.098 0.000 1.053 27 M CA -0.475 54.895 55.300 0.117 0.000 0.973 27 M CB 2.102 34.777 32.600 0.124 0.000 1.623 27 M HN 0.363 nan 8.290 nan 0.000 0.434 28 K N 4.124 124.547 120.400 0.038 0.000 2.185 28 K HA 0.668 4.989 4.320 0.002 0.000 0.269 28 K C -1.201 175.353 176.600 -0.077 0.000 0.987 28 K CA -0.387 55.915 56.287 0.025 0.000 0.865 28 K CB 1.703 34.223 32.500 0.034 0.000 1.090 28 K HN 0.601 nan 8.250 nan 0.000 0.450 29 I N 2.101 122.586 120.570 -0.141 0.000 2.436 29 I HA 0.168 4.339 4.170 0.002 0.000 0.289 29 I C -0.114 175.864 176.117 -0.232 0.000 1.010 29 I CA -0.685 60.461 61.300 -0.258 0.000 1.098 29 I CB 1.936 39.674 38.000 -0.437 0.000 1.266 29 I HN 0.587 nan 8.210 nan 0.000 0.434 30 E N 7.152 127.192 120.200 -0.267 0.000 2.227 30 E HA 0.486 4.837 4.350 0.002 0.000 0.282 30 E C -1.468 174.852 176.600 -0.466 0.000 1.015 30 E CA -0.558 55.702 56.400 -0.233 0.000 0.823 30 E CB 1.110 30.746 29.700 -0.107 0.000 1.081 30 E HN 0.513 nan 8.360 nan 0.000 0.396 31 L N 4.483 125.520 121.223 -0.310 0.000 2.307 31 L HA 0.322 4.663 4.340 0.002 0.000 0.284 31 L C -0.488 176.276 176.870 -0.177 0.000 1.023 31 L CA -1.010 53.624 54.840 -0.343 0.000 0.810 31 L CB 0.873 42.873 42.059 -0.097 0.000 1.231 31 L HN 0.642 nan 8.230 nan 0.000 0.423 32 F N 2.293 122.233 119.950 -0.018 0.000 2.659 32 F HA 0.167 4.695 4.527 0.002 0.000 0.360 32 F C 1.434 177.241 175.800 0.012 0.000 1.218 32 F CA -0.623 57.368 58.000 -0.015 0.000 1.317 32 F CB -0.684 38.295 39.000 -0.034 0.000 1.697 32 F HN 0.578 nan 8.300 nan 0.000 0.637 33 A N 0.723 123.642 122.820 0.165 0.000 2.070 33 A HA -0.190 4.131 4.320 0.002 0.000 0.220 33 A C 1.903 179.540 177.584 0.087 0.000 1.159 33 A CA 1.640 53.738 52.037 0.101 0.000 0.656 33 A CB -0.499 18.540 19.000 0.064 0.000 0.800 33 A HN 0.524 nan 8.150 nan 0.000 0.453 34 D N -1.283 119.175 120.400 0.096 0.000 2.340 34 D HA 0.097 4.738 4.640 0.002 0.000 0.220 34 D C 1.011 177.327 176.300 0.027 0.000 1.039 34 D CA 0.870 54.898 54.000 0.047 0.000 0.866 34 D CB 0.038 40.854 40.800 0.026 0.000 0.913 34 D HN 0.258 nan 8.370 nan 0.000 0.523 35 V N -0.454 119.496 119.914 0.060 0.000 3.103 35 V HA 0.080 4.201 4.120 0.002 0.000 0.229 35 V C 0.708 176.836 176.094 0.057 0.000 1.304 35 V CA 0.599 62.917 62.300 0.030 0.000 1.298 35 V CB 1.307 33.123 31.823 -0.012 0.000 1.093 35 V HN 0.213 nan 8.190 nan 0.000 0.489 36 V N -1.246 118.735 119.914 0.112 0.000 2.405 36 V HA 0.434 4.555 4.120 0.002 0.000 0.253 36 V C -1.614 174.540 176.094 0.100 0.000 0.963 36 V CA -1.291 61.069 62.300 0.099 0.000 1.003 36 V CB 0.600 32.506 31.823 0.138 0.000 1.251 36 V HN 0.196 nan 8.190 nan 0.000 0.520 37 P HA -0.177 nan 4.420 nan 0.000 0.216 37 P C 1.421 178.746 177.300 0.042 0.000 1.153 37 P CA 1.708 64.839 63.100 0.051 0.000 0.858 37 P CB 0.428 32.147 31.700 0.031 0.000 0.789 38 K N -0.790 119.630 120.400 0.033 0.000 2.097 38 K HA -0.046 4.275 4.320 0.002 0.000 0.205 38 K C 2.212 178.849 176.600 0.062 0.000 1.050 38 K CA 1.677 57.983 56.287 0.032 0.000 0.938 38 K CB -0.719 31.729 32.500 -0.087 0.000 0.718 38 K HN 0.163 nan 8.250 nan 0.000 0.442 39 T N 1.071 115.693 114.554 0.112 0.000 2.812 39 T HA -0.064 4.287 4.350 0.002 0.000 0.264 39 T C 2.026 176.714 174.700 -0.020 0.000 1.042 39 T CA 1.167 63.353 62.100 0.144 0.000 1.140 39 T CB -0.152 68.816 68.868 0.166 0.000 0.870 39 T HN 0.287 nan 8.240 nan 0.000 0.445 40 A N 1.582 124.425 122.820 0.038 0.000 1.902 40 A HA -0.121 4.200 4.320 0.002 0.000 0.217 40 A C 2.209 179.805 177.584 0.019 0.000 1.181 40 A CA 1.939 54.008 52.037 0.054 0.000 0.623 40 A CB -0.568 18.482 19.000 0.084 0.000 0.818 40 A HN 0.454 nan 8.150 nan 0.000 0.443 41 E N 0.516 120.701 120.200 -0.024 0.000 2.106 41 E HA -0.193 4.158 4.350 0.002 0.000 0.192 41 E C 1.794 178.240 176.600 -0.257 0.000 0.984 41 E CA 1.536 57.877 56.400 -0.097 0.000 0.806 41 E CB -0.417 29.238 29.700 -0.076 0.000 0.750 41 E HN 0.642 nan 8.360 nan 0.000 0.458 42 N N -0.758 117.754 118.700 -0.314 0.000 2.043 42 N HA -0.198 4.543 4.740 0.002 0.000 0.193 42 N C 1.618 176.819 175.510 -0.514 0.000 1.037 42 N CA 1.651 54.343 53.050 -0.597 0.000 0.851 42 N CB -0.516 37.714 38.487 -0.428 0.000 1.027 42 N HN 0.257 nan 8.380 nan 0.000 0.422 43 F N 1.200 120.988 119.950 -0.270 0.000 2.102 43 F HA 0.008 4.536 4.527 0.001 0.000 0.298 43 F C 2.608 178.407 175.800 -0.002 0.000 1.105 43 F CA 1.299 59.294 58.000 -0.008 0.000 1.239 43 F CB -0.343 38.610 39.000 -0.079 0.000 0.991 43 F HN 0.010 nan 8.300 nan 0.000 0.474 44 R N 0.006 120.575 120.500 0.116 0.000 2.083 44 R HA -0.204 4.137 4.340 0.002 0.000 0.237 44 R C 2.268 178.498 176.300 -0.117 0.000 1.137 44 R CA 1.856 57.977 56.100 0.035 0.000 0.951 44 R CB -0.357 29.949 30.300 0.011 0.000 0.851 44 R HN 0.296 nan 8.270 nan 0.000 0.434 45 Q N -0.416 119.210 119.800 -0.291 0.000 2.181 45 Q HA -0.163 4.178 4.340 0.002 0.000 0.205 45 Q C 1.870 177.671 176.000 -0.331 0.000 0.980 45 Q CA 1.293 56.882 55.803 -0.357 0.000 0.862 45 Q CB -0.157 28.204 28.738 -0.628 0.000 0.905 45 Q HN 0.355 nan 8.270 nan 0.000 0.429 46 F N -0.813 118.907 119.950 -0.384 0.000 2.661 46 F HA -0.069 4.459 4.527 0.001 0.000 0.298 46 F C 2.208 177.745 175.800 -0.438 0.000 1.137 46 F CA -0.355 57.297 58.000 -0.580 0.000 1.454 46 F CB -0.616 37.811 39.000 -0.954 0.000 1.103 46 F HN 0.080 nan 8.300 nan 0.000 0.577 47 C N -0.333 118.933 119.300 -0.057 0.000 2.485 47 C HA -0.073 4.388 4.460 0.002 0.000 0.277 47 C C 2.848 177.803 174.990 -0.059 0.000 1.376 47 C CA 1.378 60.402 59.018 0.011 0.000 1.759 47 C CB -1.322 26.432 27.740 0.023 0.000 1.970 47 C HN 0.583 nan 8.230 nan 0.000 0.509 48 T N -1.875 112.646 114.554 -0.056 0.000 2.821 48 T HA 0.132 4.483 4.350 0.002 0.000 0.267 48 T C 1.764 176.441 174.700 -0.038 0.000 1.046 48 T CA 1.881 63.958 62.100 -0.038 0.000 1.139 48 T CB -0.492 68.366 68.868 -0.016 0.000 0.871 48 T HN 0.931 nan 8.240 nan 0.000 0.454 49 G N 0.921 109.688 108.800 -0.055 0.000 2.179 49 G HA2 -0.219 3.742 3.960 0.002 0.000 0.260 49 G HA3 -0.219 3.742 3.960 0.002 0.000 0.260 49 G C 0.675 175.547 174.900 -0.045 0.000 0.977 49 G CA 0.398 45.454 45.100 -0.073 0.000 0.641 49 G HN 0.549 nan 8.290 nan 0.000 0.533 50 E N -1.047 119.145 120.200 -0.014 0.000 2.498 50 E HA 0.241 4.592 4.350 0.002 0.000 0.203 50 E C 0.503 177.093 176.600 -0.017 0.000 1.013 50 E CA -0.616 55.770 56.400 -0.022 0.000 0.927 50 E CB 0.353 30.041 29.700 -0.019 0.000 1.012 50 E HN 0.509 nan 8.360 nan 0.000 0.482 51 F N 2.384 122.272 119.950 -0.103 0.000 2.456 51 F HA 0.192 4.720 4.527 0.002 0.000 0.358 51 F C 0.287 176.040 175.800 -0.079 0.000 1.095 51 F CA -0.121 57.821 58.000 -0.097 0.000 1.216 51 F CB 0.463 39.398 39.000 -0.110 0.000 1.125 51 F HN -0.327 nan 8.300 nan 0.000 0.549 52 R N 5.004 125.032 120.500 -0.786 0.000 2.562 52 R HA 0.355 4.696 4.340 0.002 0.000 0.298 52 R C -1.271 174.741 176.300 -0.480 0.000 0.961 52 R CA -1.224 54.603 56.100 -0.455 0.000 0.881 52 R CB 2.067 32.183 30.300 -0.307 0.000 1.159 52 R HN 0.566 nan 8.270 nan 0.000 0.450 53 K N 2.337 122.654 120.400 -0.139 0.000 2.358 53 K HA 0.126 4.447 4.320 0.002 0.000 0.260 53 K C -0.908 175.669 176.600 -0.039 0.000 0.956 53 K CA -0.388 55.886 56.287 -0.020 0.000 0.834 53 K CB 0.882 33.462 32.500 0.133 0.000 1.102 53 K HN 0.511 nan 8.250 nan 0.000 0.431 54 D N 3.885 124.257 120.400 -0.047 0.000 2.708 54 D HA -0.197 4.444 4.640 0.002 0.000 0.236 54 D C 0.724 176.991 176.300 -0.055 0.000 1.146 54 D CA 1.816 55.793 54.000 -0.038 0.000 0.662 54 D CB -1.330 39.462 40.800 -0.012 0.000 1.059 54 D HN 1.088 nan 8.370 nan 0.000 0.428 55 G N -2.389 106.358 108.800 -0.088 0.000 2.212 55 G HA2 -0.321 3.640 3.960 0.002 0.000 0.266 55 G HA3 -0.321 3.640 3.960 0.002 0.000 0.266 55 G C 0.365 175.214 174.900 -0.084 0.000 0.978 55 G CA 0.367 45.414 45.100 -0.088 0.000 0.632 55 G HN 0.666 nan 8.290 nan 0.000 0.537 56 V N 2.118 121.986 119.914 -0.076 0.000 2.398 56 V HA 0.508 4.629 4.120 0.002 0.000 0.286 56 V C -1.910 174.136 176.094 -0.080 0.000 1.026 56 V CA -1.827 60.432 62.300 -0.067 0.000 0.868 56 V CB 1.874 33.670 31.823 -0.045 0.000 0.982 56 V HN 0.071 nan 8.190 nan 0.000 0.443 57 P HA 0.277 nan 4.420 nan 0.000 0.267 57 P C -0.664 176.554 177.300 -0.136 0.000 1.205 57 P CA 0.232 63.274 63.100 -0.097 0.000 0.765 57 P CB 0.279 31.923 31.700 -0.093 0.000 0.828 58 I N 0.292 120.766 120.570 -0.160 0.000 2.647 58 I HA 0.968 5.139 4.170 0.002 0.000 0.295 58 I C 0.097 175.722 176.117 -0.819 0.000 1.078 58 I CA -0.743 60.263 61.300 -0.490 0.000 1.048 58 I CB 2.594 40.365 38.000 -0.383 0.000 1.239 58 I HN 0.499 nan 8.210 nan 0.000 0.421 59 G N 2.986 110.884 108.800 -1.503 0.000 2.320 59 G HA2 0.239 4.200 3.960 0.002 0.000 0.296 59 G HA3 0.239 4.200 3.960 0.002 0.000 0.296 59 G C -1.064 173.256 174.900 -0.966 0.000 1.306 59 G CA -0.609 43.712 45.100 -1.299 0.000 0.836 59 G HN 0.523 nan 8.290 nan 0.000 0.517 60 Y N 0.389 120.527 120.300 -0.270 0.000 2.561 60 Y HA 0.210 4.761 4.550 0.002 0.000 0.291 60 Y C 1.925 177.703 175.900 -0.203 0.000 1.141 60 Y CA 0.479 58.494 58.100 -0.141 0.000 1.303 60 Y CB 0.099 38.447 38.460 -0.187 0.000 1.015 60 Y HN 0.365 nan 8.280 nan 0.000 0.547 61 K N 0.625 120.977 120.400 -0.080 0.000 2.453 61 K HA 0.191 4.512 4.320 0.002 0.000 0.280 61 K C 1.178 177.740 176.600 -0.063 0.000 1.045 61 K CA 1.043 57.286 56.287 -0.074 0.000 1.059 61 K CB -0.260 32.199 32.500 -0.068 0.000 0.901 61 K HN 0.518 nan 8.250 nan 0.000 0.475 62 G N 2.433 111.202 108.800 -0.053 0.000 2.199 62 G HA2 -0.323 3.638 3.960 0.002 0.000 0.254 62 G HA3 -0.323 3.638 3.960 0.002 0.000 0.254 62 G C 0.048 174.923 174.900 -0.042 0.000 0.982 62 G CA 0.384 45.461 45.100 -0.037 0.000 0.632 62 G HN 0.861 nan 8.290 nan 0.000 0.529 63 S N -0.299 115.370 115.700 -0.052 0.000 2.593 63 S HA 0.633 5.105 4.470 0.002 0.000 0.269 63 S C 0.297 174.800 174.600 -0.162 0.000 1.334 63 S CA 0.803 58.972 58.200 -0.052 0.000 1.015 63 S CB 2.039 65.268 63.200 0.048 0.000 0.912 63 S HN 0.961 nan 8.310 nan 0.000 0.541 64 T N 0.468 114.942 114.554 -0.133 0.000 2.944 64 T HA 0.566 4.917 4.350 0.002 0.000 0.284 64 T C -1.219 173.334 174.700 -0.246 0.000 1.010 64 T CA -0.680 61.344 62.100 -0.127 0.000 1.025 64 T CB -0.006 68.866 68.868 0.007 0.000 1.079 64 T HN 0.463 nan 8.240 nan 0.000 0.516 65 F N 3.863 123.817 119.950 0.007 0.000 2.291 65 F HA 0.301 4.829 4.527 0.002 0.000 0.368 65 F C 1.689 177.441 175.800 -0.079 0.000 1.085 65 F CA -0.801 57.151 58.000 -0.080 0.000 1.165 65 F CB 0.508 39.470 39.000 -0.064 0.000 1.429 65 F HN 0.702 nan 8.300 nan 0.000 0.503 66 H N 1.299 120.394 119.070 0.042 0.000 2.546 66 H HA 0.146 4.703 4.556 0.002 0.000 0.277 66 H C 0.299 175.641 175.328 0.023 0.000 1.004 66 H CA 0.308 56.367 56.048 0.018 0.000 1.231 66 H CB 0.367 30.115 29.762 -0.024 0.000 1.382 66 H HN 0.446 nan 8.280 nan 0.000 0.580 67 R N 0.516 120.840 120.500 -0.292 0.000 2.522 67 R HA 0.450 4.791 4.340 0.002 0.000 0.283 67 R C -2.053 174.161 176.300 -0.143 0.000 1.074 67 R CA -0.528 55.465 56.100 -0.178 0.000 0.925 67 R CB 2.422 32.587 30.300 -0.225 0.000 1.205 67 R HN 0.009 nan 8.270 nan 0.000 0.436 68 V N 6.605 126.475 119.914 -0.074 0.000 2.409 68 V HA 0.438 4.559 4.120 0.002 0.000 0.290 68 V C -0.442 175.629 176.094 -0.038 0.000 1.017 68 V CA -0.544 61.715 62.300 -0.068 0.000 0.841 68 V CB 1.672 33.467 31.823 -0.047 0.000 1.003 68 V HN 0.645 nan 8.190 nan 0.000 0.426 69 I N 4.569 125.114 120.570 -0.041 0.000 2.388 69 I HA 0.364 4.535 4.170 0.002 0.000 0.281 69 I C 0.437 176.596 176.117 0.071 0.000 1.046 69 I CA -0.490 60.831 61.300 0.035 0.000 1.187 69 I CB 1.040 39.097 38.000 0.095 0.000 1.351 69 I HN 0.516 nan 8.210 nan 0.000 0.472 70 K N 5.745 126.178 120.400 0.056 0.000 2.524 70 K HA -0.091 4.230 4.320 0.002 0.000 0.279 70 K C 0.154 176.819 176.600 0.109 0.000 0.993 70 K CA 0.798 57.121 56.287 0.061 0.000 1.030 70 K CB 0.331 32.855 32.500 0.040 0.000 0.891 70 K HN 0.634 nan 8.250 nan 0.000 0.488 71 D N 1.461 121.930 120.400 0.114 0.000 3.006 71 D HA -0.224 4.417 4.640 0.002 0.000 0.205 71 D C -0.219 176.242 176.300 0.269 0.000 1.075 71 D CA 1.379 55.466 54.000 0.145 0.000 1.000 71 D CB -0.893 39.970 40.800 0.105 0.000 1.097 71 D HN 0.484 nan 8.370 nan 0.000 0.426 72 F N 0.052 120.040 119.950 0.064 0.000 1.855 72 F HA 0.416 4.944 4.527 0.001 0.000 0.228 72 F C -0.411 175.427 175.800 0.063 0.000 1.236 72 F CA 1.111 59.166 58.000 0.092 0.000 1.308 72 F CB 0.091 39.153 39.000 0.104 0.000 1.877 72 F HN -0.050 nan 8.300 nan 0.000 0.272 73 M N 0.459 119.924 119.600 -0.225 0.000 2.833 73 M HA 0.547 5.028 4.480 0.002 0.000 0.270 73 M C -2.130 174.039 176.300 -0.219 0.000 1.209 73 M CA -0.635 54.485 55.300 -0.300 0.000 0.826 73 M CB 2.952 35.164 32.600 -0.646 0.000 1.657 73 M HN 0.008 nan 8.290 nan 0.000 0.492 74 I N 1.696 122.196 120.570 -0.116 0.000 2.466 74 I HA 0.397 4.568 4.170 0.002 0.000 0.289 74 I C -1.006 175.087 176.117 -0.040 0.000 1.026 74 I CA -0.469 60.765 61.300 -0.110 0.000 1.078 74 I CB 2.300 40.203 38.000 -0.160 0.000 1.249 74 I HN 0.703 nan 8.210 nan 0.000 0.429 75 Q N 5.147 124.864 119.800 -0.140 0.000 2.309 75 Q HA 0.876 5.217 4.340 0.002 0.000 0.264 75 Q C -0.289 175.517 176.000 -0.323 0.000 1.008 75 Q CA -0.965 54.702 55.803 -0.226 0.000 0.853 75 Q CB 3.067 31.605 28.738 -0.333 0.000 1.314 75 Q HN 0.782 nan 8.270 nan 0.000 0.448 76 G N -0.773 107.738 108.800 -0.481 0.000 2.664 76 G HA2 0.507 4.468 3.960 0.002 0.000 0.303 76 G HA3 0.507 4.468 3.960 0.002 0.000 0.303 76 G C 0.105 174.662 174.900 -0.571 0.000 1.243 76 G CA -0.062 44.744 45.100 -0.489 0.000 0.826 76 G HN 1.088 nan 8.290 nan 0.000 0.498 77 G N -0.607 107.985 108.800 -0.347 0.000 2.176 77 G HA2 -0.223 3.738 3.960 0.002 0.000 0.253 77 G HA3 -0.223 3.738 3.960 0.002 0.000 0.253 77 G C 0.265 175.199 174.900 0.057 0.000 0.979 77 G CA 0.895 46.089 45.100 0.156 0.000 0.641 77 G HN 0.968 nan 8.290 nan 0.000 0.530 78 D N 0.959 121.312 120.400 -0.079 0.000 2.508 78 D HA 0.391 5.032 4.640 0.002 0.000 0.224 78 D C 1.465 177.655 176.300 -0.183 0.000 1.171 78 D CA -0.845 53.017 54.000 -0.229 0.000 1.006 78 D CB -0.870 39.776 40.800 -0.257 0.000 1.073 78 D HN 0.362 nan 8.370 nan 0.000 0.513 79 F N 1.050 120.944 119.950 -0.094 0.000 2.773 79 F HA 0.173 4.701 4.527 0.002 0.000 0.304 79 F C 1.072 176.786 175.800 -0.143 0.000 1.129 79 F CA -0.482 57.435 58.000 -0.138 0.000 1.378 79 F CB -0.589 38.281 39.000 -0.217 0.000 1.095 79 F HN 0.045 nan 8.300 nan 0.000 0.565 80 V N 0.784 120.617 119.914 -0.136 0.000 2.490 80 V HA -0.001 4.120 4.120 0.002 0.000 0.238 80 V C 1.530 177.591 176.094 -0.055 0.000 1.056 80 V CA 1.285 63.547 62.300 -0.063 0.000 1.075 80 V CB -0.309 31.418 31.823 -0.160 0.000 0.746 80 V HN 0.299 nan 8.190 nan 0.000 0.479 81 N N -0.346 118.291 118.700 -0.104 0.000 2.197 81 N HA 0.167 4.908 4.740 0.002 0.000 0.201 81 N C 1.464 176.912 175.510 -0.104 0.000 1.148 81 N CA 0.888 53.884 53.050 -0.089 0.000 0.883 81 N CB 1.057 39.487 38.487 -0.096 0.000 1.012 81 N HN 0.506 nan 8.380 nan 0.000 0.507 82 G N 2.362 111.087 108.800 -0.126 0.000 2.233 82 G HA2 -0.289 3.672 3.960 0.002 0.000 0.270 82 G HA3 -0.289 3.672 3.960 0.002 0.000 0.270 82 G C 0.190 174.977 174.900 -0.189 0.000 1.011 82 G CA 1.216 46.241 45.100 -0.125 0.000 0.762 82 G HN 0.550 nan 8.290 nan 0.000 0.511 83 D N -2.687 117.534 120.400 -0.297 0.000 2.516 83 D HA 0.376 5.017 4.640 0.002 0.000 0.241 83 D C 1.498 177.467 176.300 -0.552 0.000 1.246 83 D CA 0.767 54.565 54.000 -0.337 0.000 0.808 83 D CB -0.415 40.291 40.800 -0.157 0.000 1.147 83 D HN 1.425 nan 8.370 nan 0.000 0.527 84 G N 0.386 108.757 108.800 -0.714 0.000 2.179 84 G HA2 -0.301 3.660 3.960 0.002 0.000 0.220 84 G HA3 -0.301 3.660 3.960 0.002 0.000 0.220 84 G C 1.052 175.840 174.900 -0.186 0.000 0.990 84 G CA 0.739 45.533 45.100 -0.509 0.000 0.646 84 G HN 0.668 nan 8.290 nan 0.000 0.517 85 T N -1.368 113.084 114.554 -0.171 0.000 3.001 85 T HA 0.513 4.864 4.350 0.002 0.000 0.251 85 T C 1.430 176.074 174.700 -0.094 0.000 1.040 85 T CA 1.121 63.163 62.100 -0.095 0.000 0.985 85 T CB 0.810 69.634 68.868 -0.074 0.000 1.011 85 T HN 1.381 nan 8.240 nan 0.000 0.509 86 G N 1.190 109.907 108.800 -0.138 0.000 2.406 86 G HA2 0.504 4.465 3.960 0.002 0.000 0.251 86 G HA3 0.504 4.465 3.960 0.002 0.000 0.251 86 G C -0.917 173.894 174.900 -0.147 0.000 1.271 86 G CA -0.264 44.748 45.100 -0.146 0.000 0.859 86 G HN 0.375 nan 8.290 nan 0.000 0.540 87 V N 1.138 120.985 119.914 -0.112 0.000 2.577 87 V HA 0.835 4.956 4.120 0.002 0.000 0.303 87 V C 0.137 176.199 176.094 -0.053 0.000 1.042 87 V CA -0.302 61.956 62.300 -0.070 0.000 0.872 87 V CB 1.172 32.993 31.823 -0.003 0.000 0.998 87 V HN 1.342 nan 8.190 nan 0.000 0.423 88 A N 3.533 126.325 122.820 -0.046 0.000 2.605 88 A HA 1.003 5.324 4.320 0.002 0.000 0.294 88 A C -0.606 177.120 177.584 0.237 0.000 1.062 88 A CA 0.011 52.083 52.037 0.059 0.000 0.682 88 A CB 2.185 21.181 19.000 -0.006 0.000 1.278 88 A HN 1.569 nan 8.150 nan 0.000 0.410 89 S N -0.091 115.821 115.700 0.354 0.000 2.588 89 S HA 0.518 4.989 4.470 0.002 0.000 0.269 89 S C 0.612 175.228 174.600 0.026 0.000 1.157 89 S CA -0.078 58.339 58.200 0.361 0.000 0.824 89 S CB 0.406 63.843 63.200 0.396 0.000 1.126 89 S HN 1.921 nan 8.310 nan 0.000 0.464 90 I N -1.317 118.869 120.570 -0.640 0.000 2.916 90 I HA 0.105 4.276 4.170 0.002 0.000 0.267 90 I C 0.777 176.554 176.117 -0.567 0.000 1.263 90 I CA 0.817 61.576 61.300 -0.901 0.000 1.471 90 I CB -0.578 36.565 38.000 -1.429 0.000 1.089 90 I HN 0.629 nan 8.210 nan 0.000 0.468 91 Y N 1.545 121.763 120.300 -0.136 0.000 2.457 91 Y HA 0.389 4.940 4.550 0.002 0.000 0.263 91 Y C 0.629 176.556 175.900 0.045 0.000 1.164 91 Y CA -0.809 57.253 58.100 -0.064 0.000 1.274 91 Y CB -0.231 38.145 38.460 -0.141 0.000 1.097 91 Y HN 0.212 nan 8.280 nan 0.000 0.523 92 R N 0.475 121.075 120.500 0.167 0.000 1.449 92 R HA 0.037 4.378 4.340 0.002 0.000 0.409 92 R C 0.301 176.715 176.300 0.190 0.000 1.293 92 R CA 0.638 56.843 56.100 0.175 0.000 1.031 92 R CB -1.153 29.233 30.300 0.144 0.000 3.144 92 R HN 0.926 nan 8.270 nan 0.000 0.495 93 G N 3.605 112.515 108.800 0.184 0.000 2.782 93 G HA2 -0.214 3.747 3.960 0.002 0.000 0.228 93 G HA3 -0.214 3.747 3.960 0.002 0.000 0.228 93 G C -2.436 172.609 174.900 0.242 0.000 1.372 93 G CA -0.433 44.770 45.100 0.171 0.000 0.862 93 G HN 0.692 nan 8.290 nan 0.000 0.547 94 P HA 0.485 nan 4.420 nan 0.000 0.269 94 P C -0.402 177.066 177.300 0.280 0.000 1.209 94 P CA 0.283 63.500 63.100 0.194 0.000 0.776 94 P CB 0.392 32.143 31.700 0.086 0.000 0.876 95 F N -0.115 119.893 119.950 0.098 0.000 2.598 95 F HA 0.802 5.330 4.527 0.002 0.000 0.327 95 F C -0.300 175.507 175.800 0.013 0.000 1.057 95 F CA -1.944 56.084 58.000 0.047 0.000 0.957 95 F CB 0.438 39.473 39.000 0.058 0.000 1.278 95 F HN 0.401 nan 8.300 nan 0.000 0.484 96 A N 0.802 123.683 122.820 0.102 0.000 2.448 96 A HA 0.218 4.539 4.320 0.002 0.000 0.239 96 A C -0.325 177.206 177.584 -0.088 0.000 1.080 96 A CA -0.388 51.642 52.037 -0.012 0.000 0.779 96 A CB -0.226 18.780 19.000 0.010 0.000 1.026 96 A HN 0.748 nan 8.150 nan 0.000 0.499 97 D N 1.121 121.449 120.400 -0.120 0.000 2.346 97 D HA 0.072 4.713 4.640 0.002 0.000 0.260 97 D C 1.071 177.223 176.300 -0.247 0.000 1.252 97 D CA 0.324 54.190 54.000 -0.224 0.000 0.895 97 D CB 1.129 41.789 40.800 -0.234 0.000 1.097 97 D HN 0.770 nan 8.370 nan 0.000 0.489 98 E N 2.651 122.746 120.200 -0.175 0.000 2.023 98 E HA -0.233 4.118 4.350 0.002 0.000 0.196 98 E C 0.150 176.620 176.600 -0.216 0.000 1.003 98 E CA 1.252 57.580 56.400 -0.121 0.000 0.809 98 E CB 0.297 29.983 29.700 -0.024 0.000 0.755 98 E HN 0.660 nan 8.360 nan 0.000 0.449 99 N N -3.108 115.374 118.700 -0.363 0.000 3.348 99 N HA 0.087 4.828 4.740 0.002 0.000 0.233 99 N C -1.468 173.719 175.510 -0.539 0.000 1.440 99 N CA -0.639 52.184 53.050 -0.377 0.000 0.887 99 N CB -0.034 38.376 38.487 -0.128 0.000 1.410 99 N HN -0.054 nan 8.380 nan 0.000 0.502 100 F N -0.086 119.890 119.950 0.044 0.000 2.881 100 F HA 0.508 5.036 4.527 0.001 0.000 0.343 100 F C 1.388 177.202 175.800 0.023 0.000 1.233 100 F CA -0.675 57.353 58.000 0.047 0.000 1.262 100 F CB 0.589 39.626 39.000 0.061 0.000 0.980 100 F HN 0.458 nan 8.300 nan 0.000 0.506 101 K N 0.255 120.716 120.400 0.102 0.000 2.097 101 K HA -0.013 4.308 4.320 0.002 0.000 0.206 101 K C 0.538 177.152 176.600 0.024 0.000 1.049 101 K CA 1.023 57.340 56.287 0.050 0.000 0.933 101 K CB 0.122 32.623 32.500 0.002 0.000 0.717 101 K HN 0.282 nan 8.250 nan 0.000 0.442 102 L N 1.444 122.675 121.223 0.013 0.000 2.343 102 L HA 0.294 4.635 4.340 0.002 0.000 0.275 102 L C 0.195 177.033 176.870 -0.053 0.000 1.056 102 L CA -0.774 54.038 54.840 -0.046 0.000 0.804 102 L CB 1.350 43.361 42.059 -0.080 0.000 1.203 102 L HN 0.017 nan 8.230 nan 0.000 0.440 103 R N 0.050 120.502 120.500 -0.079 0.000 2.720 103 R HA 0.371 4.712 4.340 0.002 0.000 0.272 103 R C -0.803 175.399 176.300 -0.163 0.000 0.991 103 R CA -1.018 55.039 56.100 -0.071 0.000 1.010 103 R CB 0.994 31.302 30.300 0.013 0.000 1.141 103 R HN 0.495 nan 8.270 nan 0.000 0.494 104 H N 0.174 119.242 119.070 -0.003 0.000 2.768 104 H HA 0.028 4.585 4.556 0.002 0.000 0.228 104 H C 0.892 176.196 175.328 -0.039 0.000 1.812 104 H CA -0.096 55.935 56.048 -0.029 0.000 1.273 104 H CB -0.067 29.666 29.762 -0.048 0.000 1.631 104 H HN 0.582 nan 8.280 nan 0.000 0.526 105 S N -0.694 115.024 115.700 0.030 0.000 2.593 105 S HA 0.468 4.939 4.470 0.002 0.000 0.217 105 S C 0.926 175.539 174.600 0.021 0.000 0.966 105 S CA 0.068 58.282 58.200 0.024 0.000 0.914 105 S CB 0.478 63.681 63.200 0.006 0.000 0.776 105 S HN 0.468 nan 8.310 nan 0.000 0.523 106 A N 0.965 123.798 122.820 0.020 0.000 2.599 106 A HA 0.789 5.110 4.320 0.002 0.000 0.290 106 A C -3.360 174.236 177.584 0.021 0.000 1.101 106 A CA -1.732 50.317 52.037 0.019 0.000 0.674 106 A CB 0.362 19.364 19.000 0.004 0.000 1.277 106 A HN 0.192 nan 8.150 nan 0.000 0.419 107 P HA 0.455 nan 4.420 nan 0.000 0.274 107 P C 0.820 178.114 177.300 -0.009 0.000 1.231 107 P CA 1.616 64.728 63.100 0.020 0.000 0.790 107 P CB 0.975 32.689 31.700 0.024 0.000 0.951 108 G N 0.539 109.324 108.800 -0.024 0.000 2.157 108 G HA2 -0.203 3.758 3.960 0.002 0.000 0.248 108 G HA3 -0.203 3.758 3.960 0.002 0.000 0.248 108 G C -0.210 174.619 174.900 -0.118 0.000 0.979 108 G CA -0.328 44.736 45.100 -0.060 0.000 0.650 108 G HN 0.421 nan 8.290 nan 0.000 0.529 109 L N 0.660 121.807 121.223 -0.126 0.000 2.399 109 L HA 0.615 4.956 4.340 0.002 0.000 0.266 109 L C 0.611 177.261 176.870 -0.365 0.000 1.114 109 L CA -1.058 53.648 54.840 -0.224 0.000 0.804 109 L CB 0.986 42.942 42.059 -0.171 0.000 1.146 109 L HN -0.081 nan 8.230 nan 0.000 0.451 110 L N 1.870 122.714 121.223 -0.633 0.000 2.296 110 L HA 0.483 4.824 4.340 0.002 0.000 0.286 110 L C -0.111 176.116 176.870 -1.070 0.000 1.023 110 L CA 0.292 54.592 54.840 -0.901 0.000 0.812 110 L CB 1.416 42.611 42.059 -1.440 0.000 1.223 110 L HN 0.642 nan 8.230 nan 0.000 0.421 111 S N 3.816 119.083 115.700 -0.720 0.000 2.569 111 S HA 0.653 5.124 4.470 0.002 0.000 0.280 111 S C -0.450 174.220 174.600 0.117 0.000 1.111 111 S CA -0.718 57.251 58.200 -0.386 0.000 0.887 111 S CB 1.470 64.256 63.200 -0.691 0.000 1.095 111 S HN 0.439 nan 8.310 nan 0.000 0.476 112 M N 3.338 123.226 119.600 0.480 0.000 2.200 112 M HA 0.380 4.861 4.480 0.002 0.000 0.355 112 M C 0.527 177.206 176.300 0.632 0.000 1.283 112 M CA -0.278 55.323 55.300 0.502 0.000 1.124 112 M CB 0.286 33.068 32.600 0.303 0.000 1.625 112 M HN 0.776 nan 8.290 nan 0.000 0.463 113 A N 4.600 127.766 122.820 0.578 0.000 2.304 113 A HA 0.651 4.972 4.320 0.002 0.000 0.271 113 A C 0.142 177.957 177.584 0.384 0.000 1.091 113 A CA -0.348 52.020 52.037 0.553 0.000 0.812 113 A CB 0.299 19.519 19.000 0.367 0.000 1.056 113 A HN 0.978 nan 8.150 nan 0.000 0.489 114 N N -2.126 116.779 118.700 0.342 0.000 3.179 114 N HA 0.399 5.140 4.740 0.002 0.000 0.250 114 N C -0.717 174.870 175.510 0.128 0.000 1.507 114 N CA -0.008 53.137 53.050 0.158 0.000 0.883 114 N CB 0.827 39.354 38.487 0.066 0.000 1.435 114 N HN 0.556 nan 8.380 nan 0.000 0.532 115 S N -2.025 113.713 115.700 0.064 0.000 2.809 115 S HA 0.702 5.173 4.470 0.002 0.000 0.248 115 S C 0.409 175.026 174.600 0.028 0.000 1.071 115 S CA 0.013 58.245 58.200 0.052 0.000 1.059 115 S CB -0.918 62.306 63.200 0.041 0.000 0.923 115 S HN 1.497 nan 8.310 nan 0.000 0.516 116 G N 1.273 110.079 108.800 0.009 0.000 2.361 116 G HA2 0.265 4.226 3.960 0.002 0.000 0.331 116 G HA3 0.265 4.226 3.960 0.002 0.000 0.331 116 G C -3.563 171.334 174.900 -0.004 0.000 1.324 116 G CA -0.977 44.122 45.100 -0.002 0.000 0.984 116 G HN 0.124 nan 8.290 nan 0.000 0.586 117 P HA 0.338 nan 4.420 nan 0.000 0.262 117 P C 0.432 177.746 177.300 0.024 0.000 1.182 117 P CA 1.200 64.324 63.100 0.039 0.000 0.761 117 P CB 0.711 32.439 31.700 0.047 0.000 0.795 118 S N 1.085 116.796 115.700 0.017 0.000 3.628 118 S HA -0.132 4.339 4.470 0.002 0.000 0.373 118 S C 0.565 175.139 174.600 -0.045 0.000 0.968 118 S CA 1.415 59.598 58.200 -0.029 0.000 1.215 118 S CB -2.114 61.086 63.200 -0.001 0.000 0.912 118 S HN 0.789 nan 8.310 nan 0.000 0.495 119 T N -2.259 112.255 114.554 -0.067 0.000 3.415 119 T HA 0.239 4.590 4.350 0.002 0.000 0.282 119 T C -0.091 174.551 174.700 -0.097 0.000 1.007 119 T CA -0.678 61.393 62.100 -0.048 0.000 0.958 119 T CB 0.094 68.960 68.868 -0.004 0.000 1.171 119 T HN 0.329 nan 8.240 nan 0.000 0.500 120 N N 1.044 119.568 118.700 -0.293 0.000 2.518 120 N HA 0.472 5.213 4.740 0.002 0.000 0.266 120 N C 0.675 176.048 175.510 -0.229 0.000 1.196 120 N CA 0.412 53.198 53.050 -0.440 0.000 0.947 120 N CB 1.704 39.502 38.487 -1.148 0.000 1.098 120 N HN 0.575 nan 8.380 nan 0.000 0.450 121 G N -0.094 108.744 108.800 0.064 0.000 2.825 121 G HA2 0.081 4.042 3.960 0.002 0.000 0.191 121 G HA3 0.081 4.042 3.960 0.002 0.000 0.191 121 G C 0.603 175.735 174.900 0.387 0.000 1.708 121 G CA 0.132 45.393 45.100 0.268 0.000 0.813 121 G HN 0.680 nan 8.290 nan 0.000 0.799 122 C N -0.637 118.776 119.300 0.187 0.000 3.545 122 C HA 0.506 4.967 4.460 0.002 0.000 0.368 122 C C 0.760 175.986 174.990 0.394 0.000 1.400 122 C CA -0.296 58.856 59.018 0.223 0.000 1.848 122 C CB -0.493 26.895 27.740 -0.588 0.000 2.576 122 C HN 0.410 nan 8.230 nan 0.000 0.683 123 Q N 1.237 121.170 119.800 0.223 0.000 2.373 123 Q HA 0.569 4.910 4.340 0.002 0.000 0.255 123 Q C -0.689 175.566 176.000 0.425 0.000 0.980 123 Q CA 0.522 56.465 55.803 0.232 0.000 0.882 123 Q CB 0.877 29.682 28.738 0.112 0.000 1.249 123 Q HN 0.742 nan 8.270 nan 0.000 0.438 124 F N -0.351 119.807 119.950 0.345 0.000 2.711 124 F HA 0.746 5.274 4.527 0.002 0.000 0.313 124 F C -1.542 174.492 175.800 0.391 0.000 1.141 124 F CA -1.651 56.588 58.000 0.398 0.000 0.941 124 F CB 0.983 40.286 39.000 0.506 0.000 1.349 124 F HN 0.423 nan 8.300 nan 0.000 0.464 125 F N -0.098 120.018 119.950 0.277 0.000 2.613 125 F HA 0.881 5.409 4.527 0.002 0.000 0.314 125 F C -1.778 174.149 175.800 0.211 0.000 1.075 125 F CA -1.853 56.190 58.000 0.072 0.000 0.945 125 F CB 1.558 40.488 39.000 -0.117 0.000 1.310 125 F HN 0.475 nan 8.300 nan 0.000 0.467 126 I N 1.882 122.597 120.570 0.241 0.000 2.406 126 I HA 0.334 4.505 4.170 0.002 0.000 0.290 126 I C -0.170 176.006 176.117 0.099 0.000 0.999 126 I CA -0.888 60.462 61.300 0.083 0.000 1.124 126 I CB 2.405 40.464 38.000 0.098 0.000 1.289 126 I HN 0.847 nan 8.210 nan 0.000 0.441 127 T N 1.391 115.980 114.554 0.059 0.000 2.870 127 T HA 0.103 4.454 4.350 0.002 0.000 0.300 127 T C 0.741 175.478 174.700 0.061 0.000 0.989 127 T CA -0.645 61.520 62.100 0.109 0.000 1.139 127 T CB 0.899 69.834 68.868 0.112 0.000 0.920 127 T HN 0.703 nan 8.240 nan 0.000 0.537 128 C N 2.715 122.062 119.300 0.079 0.000 2.590 128 C HA 0.352 4.813 4.460 0.002 0.000 0.272 128 C C 1.242 176.286 174.990 0.090 0.000 1.338 128 C CA -0.284 58.773 59.018 0.065 0.000 1.746 128 C CB -1.013 26.767 27.740 0.066 0.000 2.020 128 C HN 0.966 nan 8.230 nan 0.000 0.531 129 S N -0.645 115.135 115.700 0.133 0.000 2.656 129 S HA 0.335 4.806 4.470 0.002 0.000 0.273 129 S C -1.195 173.477 174.600 0.121 0.000 1.168 129 S CA -0.856 57.419 58.200 0.126 0.000 0.817 129 S CB 1.047 64.343 63.200 0.160 0.000 1.146 129 S HN 0.486 nan 8.310 nan 0.000 0.475 130 K N -0.627 119.827 120.400 0.090 0.000 2.355 130 K HA 0.473 4.794 4.320 0.002 0.000 0.270 130 K C -0.514 176.074 176.600 -0.020 0.000 1.003 130 K CA -0.425 55.893 56.287 0.053 0.000 0.957 130 K CB -0.168 32.363 32.500 0.052 0.000 0.939 130 K HN 0.763 nan 8.250 nan 0.000 0.482 131 C N 0.887 120.066 119.300 -0.201 0.000 3.432 131 C HA 0.165 4.626 4.460 0.002 0.000 0.242 131 C C 0.527 175.045 174.990 -0.786 0.000 1.152 131 C CA -0.882 57.597 59.018 -0.898 0.000 1.242 131 C CB -1.210 25.877 27.740 -1.089 0.000 1.802 131 C HN 1.059 nan 8.230 nan 0.000 0.577 132 D N 0.700 120.937 120.400 -0.272 0.000 2.311 132 D HA -0.233 4.408 4.640 0.002 0.000 0.212 132 D C 1.349 177.627 176.300 -0.037 0.000 0.972 132 D CA 1.428 55.391 54.000 -0.061 0.000 0.887 132 D CB -0.123 40.717 40.800 0.068 0.000 0.915 132 D HN 0.813 nan 8.370 nan 0.000 0.497 133 W N 0.307 121.612 121.300 0.008 0.000 2.721 133 W HA 0.193 4.854 4.660 0.001 0.000 0.245 133 W C 0.868 177.382 176.519 -0.008 0.000 1.276 133 W CA -0.113 57.224 57.345 -0.013 0.000 1.342 133 W CB -0.422 29.009 29.460 -0.048 0.000 1.135 133 W HN -0.026 nan 8.180 nan 0.000 0.654 134 L N 0.907 121.866 121.223 -0.440 0.000 2.585 134 L HA 0.141 4.482 4.340 0.002 0.000 0.226 134 L C 0.238 177.070 176.870 -0.063 0.000 1.113 134 L CA -0.195 54.456 54.840 -0.317 0.000 0.876 134 L CB -0.668 40.912 42.059 -0.797 0.000 1.072 134 L HN -0.237 nan 8.230 nan 0.000 0.468 135 D N 1.378 121.814 120.400 0.060 0.000 2.458 135 D HA 0.247 4.888 4.640 0.002 0.000 0.243 135 D C 1.288 177.575 176.300 -0.021 0.000 1.146 135 D CA 1.294 55.405 54.000 0.184 0.000 0.877 135 D CB 1.182 42.065 40.800 0.137 0.000 1.176 135 D HN 0.267 nan 8.370 nan 0.000 0.461 136 G N 2.265 110.960 108.800 -0.175 0.000 2.179 136 G HA2 -0.367 3.594 3.960 0.002 0.000 0.260 136 G HA3 -0.367 3.594 3.960 0.002 0.000 0.260 136 G C 1.011 175.206 174.900 -1.174 0.000 0.977 136 G CA 0.571 45.219 45.100 -0.754 0.000 0.641 136 G HN 0.537 nan 8.290 nan 0.000 0.533 137 K N -0.946 119.116 120.400 -0.562 0.000 2.474 137 K HA 0.208 4.529 4.320 0.002 0.000 0.202 137 K C 0.334 176.812 176.600 -0.203 0.000 1.248 137 K CA -0.014 56.053 56.287 -0.366 0.000 0.946 137 K CB 0.646 33.066 32.500 -0.134 0.000 1.102 137 K HN 0.495 nan 8.250 nan 0.000 0.541 138 H N 0.426 119.693 119.070 0.328 0.000 2.600 138 H HA 0.250 4.807 4.556 0.002 0.000 0.357 138 H C -0.935 174.779 175.328 0.643 0.000 1.106 138 H CA -0.768 55.602 56.048 0.537 0.000 1.193 138 H CB 2.325 32.446 29.762 0.598 0.000 1.594 138 H HN -0.239 nan 8.280 nan 0.000 0.526 139 V N 4.184 124.435 119.914 0.560 0.000 2.427 139 V HA 0.021 4.142 4.120 0.002 0.000 0.268 139 V C 0.546 176.823 176.094 0.304 0.000 1.046 139 V CA -0.436 62.067 62.300 0.339 0.000 0.970 139 V CB 0.770 32.666 31.823 0.122 0.000 1.001 139 V HN 0.406 nan 8.190 nan 0.000 0.476 140 V N 7.072 127.070 119.914 0.141 0.000 2.530 140 V HA 0.240 4.361 4.120 0.002 0.000 0.282 140 V C 0.527 176.697 176.094 0.127 0.000 1.048 140 V CA 0.176 62.456 62.300 -0.033 0.000 0.997 140 V CB 0.722 32.421 31.823 -0.206 0.000 0.987 140 V HN 0.939 nan 8.190 nan 0.000 0.477 141 F N 1.713 121.622 119.950 -0.069 0.000 2.915 141 F HA 0.808 5.336 4.527 0.002 0.000 0.347 141 F C 0.458 175.905 175.800 -0.589 0.000 1.104 141 F CA 0.029 57.966 58.000 -0.105 0.000 1.126 141 F CB 0.212 39.139 39.000 -0.122 0.000 1.145 141 F HN 0.601 nan 8.300 nan 0.000 0.541 142 G N 1.012 108.980 108.800 -1.387 0.000 2.488 142 G HA2 0.538 4.499 3.960 0.002 0.000 0.301 142 G HA3 0.538 4.499 3.960 0.002 0.000 0.301 142 G C -2.115 172.117 174.900 -1.114 0.000 1.339 142 G CA -0.649 43.393 45.100 -1.764 0.000 0.803 142 G HN 0.437 nan 8.290 nan 0.000 0.482 143 K N -1.207 118.711 120.400 -0.803 0.000 2.597 143 K HA 0.562 4.883 4.320 0.002 0.000 0.282 143 K C -1.437 174.986 176.600 -0.294 0.000 0.975 143 K CA -1.033 55.020 56.287 -0.390 0.000 0.867 143 K CB 1.555 33.992 32.500 -0.106 0.000 1.465 143 K HN 0.419 nan 8.250 nan 0.000 0.417 144 I N 3.443 123.891 120.570 -0.203 0.000 2.436 144 I HA 0.097 4.268 4.170 0.002 0.000 0.289 144 I C 1.172 177.239 176.117 -0.083 0.000 1.083 144 I CA -0.360 60.855 61.300 -0.141 0.000 1.372 144 I CB 0.443 38.385 38.000 -0.097 0.000 1.408 144 I HN 0.640 nan 8.210 nan 0.000 0.516 145 I N 1.094 121.623 120.570 -0.069 0.000 3.968 145 I HA 0.432 4.603 4.170 0.002 0.000 0.328 145 I C -0.090 176.016 176.117 -0.019 0.000 1.290 145 I CA 0.133 61.412 61.300 -0.034 0.000 1.163 145 I CB 0.360 38.345 38.000 -0.025 0.000 1.024 145 I HN 0.453 nan 8.210 nan 0.000 0.413 146 D N 0.256 120.645 120.400 -0.018 0.000 2.886 146 D HA 0.486 5.127 4.640 0.002 0.000 0.216 146 D C 0.334 176.636 176.300 0.004 0.000 1.256 146 D CA 0.448 54.446 54.000 -0.004 0.000 0.844 146 D CB 1.806 42.608 40.800 0.003 0.000 1.669 146 D HN 0.275 nan 8.370 nan 0.000 0.513 147 G N 2.148 110.953 108.800 0.008 0.000 2.160 147 G HA2 -0.289 3.672 3.960 0.002 0.000 0.244 147 G HA3 -0.289 3.672 3.960 0.002 0.000 0.244 147 G C 0.899 175.807 174.900 0.012 0.000 1.022 147 G CA 0.370 45.480 45.100 0.018 0.000 0.741 147 G HN 0.591 nan 8.290 nan 0.000 0.508 148 L N -0.274 120.949 121.223 0.000 0.000 2.261 148 L HA 0.122 4.463 4.340 0.002 0.000 0.216 148 L C 2.512 179.381 176.870 -0.002 0.000 1.114 148 L CA 2.525 57.361 54.840 -0.007 0.000 0.777 148 L CB -0.190 41.862 42.059 -0.010 0.000 0.910 148 L HN 0.490 nan 8.230 nan 0.000 0.440 149 L N -1.561 119.664 121.223 0.004 0.000 2.131 149 L HA -0.167 4.174 4.340 0.002 0.000 0.210 149 L C 2.274 179.148 176.870 0.005 0.000 1.092 149 L CA 1.651 56.494 54.840 0.005 0.000 0.759 149 L CB -0.435 41.629 42.059 0.009 0.000 0.903 149 L HN 0.106 nan 8.230 nan 0.000 0.435 150 V N -0.438 119.484 119.914 0.014 0.000 2.343 150 V HA -0.327 3.794 4.120 0.002 0.000 0.247 150 V C 2.561 178.649 176.094 -0.011 0.000 1.051 150 V CA 2.010 64.321 62.300 0.019 0.000 1.036 150 V CB -0.785 31.070 31.823 0.052 0.000 0.654 150 V HN 0.589 nan 8.190 nan 0.000 0.451 151 M N -0.074 119.513 119.600 -0.021 0.000 2.108 151 M HA -0.155 4.326 4.480 0.002 0.000 0.261 151 M C 2.321 178.589 176.300 -0.053 0.000 1.066 151 M CA 1.858 57.123 55.300 -0.058 0.000 1.107 151 M CB -0.766 31.808 32.600 -0.043 0.000 1.356 151 M HN 0.216 nan 8.290 nan 0.000 0.406 152 R N 0.667 121.151 120.500 -0.026 0.000 2.115 152 R HA -0.059 4.282 4.340 0.002 0.000 0.230 152 R C 2.086 178.374 176.300 -0.018 0.000 1.111 152 R CA 1.112 57.202 56.100 -0.017 0.000 0.976 152 R CB -0.718 29.579 30.300 -0.005 0.000 0.870 152 R HN 0.514 nan 8.270 nan 0.000 0.445 153 K N 0.293 120.683 120.400 -0.017 0.000 2.026 153 K HA -0.033 4.288 4.320 0.002 0.000 0.208 153 K C 2.211 178.796 176.600 -0.026 0.000 1.048 153 K CA 1.187 57.467 56.287 -0.011 0.000 0.929 153 K CB -0.184 32.316 32.500 0.000 0.000 0.713 153 K HN 0.093 nan 8.250 nan 0.000 0.439 154 I N 1.090 121.626 120.570 -0.058 0.000 2.179 154 I HA -0.288 3.883 4.170 0.002 0.000 0.242 154 I C 2.534 178.605 176.117 -0.076 0.000 1.088 154 I CA 1.307 62.548 61.300 -0.097 0.000 1.357 154 I CB -0.305 37.556 38.000 -0.232 0.000 1.051 154 I HN 0.279 nan 8.210 nan 0.000 0.409 155 E N 1.076 121.235 120.200 -0.070 0.000 2.171 155 E HA -0.264 4.087 4.350 0.002 0.000 0.197 155 E C 1.414 178.003 176.600 -0.018 0.000 0.997 155 E CA 1.333 57.709 56.400 -0.041 0.000 0.810 155 E CB 0.035 29.720 29.700 -0.024 0.000 0.738 155 E HN 0.434 nan 8.360 nan 0.000 0.467 156 N N 0.180 118.872 118.700 -0.013 0.000 2.398 156 N HA -0.012 4.729 4.740 0.002 0.000 0.188 156 N C -0.141 175.369 175.510 0.000 0.000 1.122 156 N CA 0.045 53.094 53.050 -0.002 0.000 0.866 156 N CB 0.491 38.979 38.487 0.001 0.000 0.970 156 N HN 0.003 nan 8.380 nan 0.000 0.462 157 V N 2.789 122.701 119.914 -0.004 0.000 2.763 157 V HA 0.084 4.205 4.120 0.002 0.000 0.306 157 V C -2.040 174.059 176.094 0.008 0.000 1.059 157 V CA -1.271 61.032 62.300 0.005 0.000 1.138 157 V CB 0.665 32.492 31.823 0.007 0.000 0.940 157 V HN 0.080 nan 8.190 nan 0.000 0.489 158 P HA 0.263 nan 4.420 nan 0.000 0.271 158 P C -0.670 176.640 177.300 0.015 0.000 1.216 158 P CA 0.088 63.196 63.100 0.013 0.000 0.771 158 P CB 0.472 32.181 31.700 0.014 0.000 0.864 159 T N -0.280 114.283 114.554 0.015 0.000 2.930 159 T HA 0.811 5.162 4.350 0.002 0.000 0.290 159 T C 0.244 174.954 174.700 0.017 0.000 1.052 159 T CA -0.729 61.381 62.100 0.017 0.000 1.017 159 T CB 2.049 70.926 68.868 0.015 0.000 1.137 159 T HN 0.353 nan 8.240 nan 0.000 0.511 160 G N -0.086 108.726 108.800 0.019 0.000 3.122 160 G HA2 0.715 4.676 3.960 0.002 0.000 0.180 160 G HA3 0.715 4.676 3.960 0.002 0.000 0.180 160 G C -2.812 172.099 174.900 0.018 0.000 1.279 160 G CA -1.728 43.383 45.100 0.017 0.000 0.987 160 G HN 0.686 nan 8.290 nan 0.000 0.589 161 P HA 0.083 nan 4.420 nan 0.000 0.263 161 P C 0.135 177.448 177.300 0.022 0.000 1.175 161 P CA 0.719 63.829 63.100 0.017 0.000 0.761 161 P CB 0.409 32.118 31.700 0.015 0.000 0.794 162 N N 2.776 121.488 118.700 0.021 0.000 2.741 162 N HA -0.246 4.495 4.740 0.002 0.000 0.251 162 N C -0.302 175.224 175.510 0.027 0.000 1.112 162 N CA 1.126 54.192 53.050 0.026 0.000 0.750 162 N CB -1.814 36.691 38.487 0.031 0.000 1.119 162 N HN 0.472 nan 8.380 nan 0.000 0.561 163 N N -1.453 117.260 118.700 0.022 0.000 2.747 163 N HA -0.246 4.495 4.740 0.002 0.000 0.249 163 N C -0.506 175.014 175.510 0.016 0.000 1.107 163 N CA 1.416 54.476 53.050 0.017 0.000 0.707 163 N CB -0.864 37.631 38.487 0.015 0.000 1.054 163 N HN 0.688 nan 8.380 nan 0.000 0.555 164 K N 1.269 121.686 120.400 0.028 0.000 2.339 164 K HA 0.235 4.556 4.320 0.002 0.000 0.286 164 K C -2.393 174.227 176.600 0.034 0.000 1.050 164 K CA -1.312 54.999 56.287 0.039 0.000 0.956 164 K CB 0.765 33.294 32.500 0.049 0.000 0.990 164 K HN -0.144 nan 8.250 nan 0.000 0.475 165 P HA -0.028 nan 4.420 nan 0.000 0.266 165 P C -0.447 176.874 177.300 0.035 0.000 1.195 165 P CA 0.168 63.289 63.100 0.036 0.000 0.768 165 P CB 0.555 32.284 31.700 0.048 0.000 0.838 166 K N 1.314 121.731 120.400 0.029 0.000 2.365 166 K HA 0.090 4.411 4.320 0.002 0.000 0.197 166 K C 0.413 177.030 176.600 0.028 0.000 1.042 166 K CA 0.634 56.936 56.287 0.026 0.000 0.987 166 K CB -0.072 32.440 32.500 0.021 0.000 0.779 166 K HN 0.412 nan 8.250 nan 0.000 0.484 167 L N 1.957 123.200 121.223 0.033 0.000 2.362 167 L HA 0.366 4.707 4.340 0.002 0.000 0.271 167 L C -2.437 174.462 176.870 0.047 0.000 1.002 167 L CA -2.625 52.236 54.840 0.035 0.000 0.818 167 L CB 1.610 43.688 42.059 0.033 0.000 1.298 167 L HN -0.160 nan 8.230 nan 0.000 0.420 168 P HA 0.041 nan 4.420 nan 0.000 0.267 168 P C -0.797 176.554 177.300 0.084 0.000 1.209 168 P CA -0.026 63.111 63.100 0.061 0.000 0.763 168 P CB 0.931 32.660 31.700 0.048 0.000 0.816 169 V N 5.364 125.353 119.914 0.124 0.000 2.313 169 V HA 0.276 4.397 4.120 0.002 0.000 0.278 169 V C 0.502 176.748 176.094 0.253 0.000 1.017 169 V CA -0.483 61.934 62.300 0.194 0.000 0.823 169 V CB 1.634 33.586 31.823 0.214 0.000 1.010 169 V HN 0.305 nan 8.190 nan 0.000 0.443 170 V N 5.425 125.453 119.914 0.191 0.000 3.001 170 V HA 0.494 4.615 4.120 0.002 0.000 0.314 170 V C -0.031 176.114 176.094 0.084 0.000 1.099 170 V CA -0.728 61.624 62.300 0.087 0.000 0.989 170 V CB 2.811 34.658 31.823 0.040 0.000 1.040 170 V HN 0.664 nan 8.190 nan 0.000 0.434 171 I N 2.361 122.885 120.570 -0.078 0.000 2.243 171 I HA 0.102 4.273 4.170 0.002 0.000 0.297 171 I C 1.645 177.735 176.117 -0.045 0.000 1.161 171 I CA 0.332 61.555 61.300 -0.129 0.000 1.298 171 I CB 0.850 38.584 38.000 -0.444 0.000 1.475 171 I HN 0.791 nan 8.210 nan 0.000 0.561 172 S N 3.988 119.711 115.700 0.040 0.000 2.374 172 S HA -0.198 4.273 4.470 0.002 0.000 0.227 172 S C 0.754 175.391 174.600 0.062 0.000 1.037 172 S CA 1.622 59.855 58.200 0.055 0.000 1.024 172 S CB 0.066 63.315 63.200 0.083 0.000 0.861 172 S HN 0.692 nan 8.310 nan 0.000 0.456 173 Q N -1.065 118.797 119.800 0.104 0.000 2.435 173 Q HA 0.538 4.879 4.340 0.002 0.000 0.282 173 Q C -1.403 174.691 176.000 0.156 0.000 1.020 173 Q CA -0.571 55.316 55.803 0.140 0.000 0.820 173 Q CB 1.653 30.529 28.738 0.230 0.000 1.436 173 Q HN 0.493 nan 8.270 nan 0.000 0.395 174 C N -0.234 119.067 119.300 0.003 0.000 3.318 174 C HA 1.123 5.584 4.460 0.002 0.000 0.322 174 C C 0.194 174.802 174.990 -0.637 0.000 1.398 174 C CA -0.022 58.797 59.018 -0.331 0.000 1.339 174 C CB 1.296 29.028 27.740 -0.013 0.000 1.668 174 C HN 1.249 nan 8.230 nan 0.000 0.462 175 G N 0.237 108.383 108.800 -1.089 0.000 2.323 175 G HA2 0.497 4.458 3.960 0.002 0.000 0.291 175 G HA3 0.497 4.458 3.960 0.002 0.000 0.291 175 G C -2.155 172.496 174.900 -0.415 0.000 1.278 175 G CA -0.727 44.042 45.100 -0.551 0.000 0.860 175 G HN 0.969 nan 8.290 nan 0.000 0.504 176 E N 0.224 120.424 120.200 0.001 0.000 2.242 176 E HA 0.555 4.906 4.350 0.002 0.000 0.275 176 E C 0.092 176.867 176.600 0.291 0.000 1.002 176 E CA -0.825 55.644 56.400 0.115 0.000 0.841 176 E CB 1.463 31.209 29.700 0.077 0.000 1.109 176 E HN 0.268 nan 8.360 nan 0.000 0.394 177 M N 0.000 119.748 119.600 0.247 0.000 2.572 177 M HA 0.000 4.481 4.480 0.002 0.000 0.227 177 M CA 0.000 55.421 55.300 0.202 0.000 0.988 177 M CB 0.000 32.694 32.600 0.157 0.000 1.302 177 M HN 0.000 nan 8.290 nan 0.000 0.411