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 2uum_1_X DATA FIRST_RESID 1 DATA SEQUENCE MFDAFTKVVS QADTRGEMLS TAQIDALSQM VAESNKRLDV VNRITSNAST DATA SEQUENCE IVSNAARSLF AEQPQLIAPG GNAYTSTRMA ACLRDMEIIL RYVTYAVFAG DATA SEQUENCE DASVLEDRCL NGLRETYLAL GTPGSSVAVG VKKMKEAALA IVNDPAGITP DATA SEQUENCE GDCSALASEI ASYFDRACAA VS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.003 176.300 -0.496 0.000 1.140 1 M CA 0.000 55.068 55.300 -0.387 0.000 0.988 1 M CB 0.000 32.508 32.600 -0.153 0.000 1.302 2 F N 1.025 120.990 119.950 0.024 0.000 2.492 2 F HA 0.695 5.223 4.527 0.000 0.000 0.327 2 F C -0.006 175.817 175.800 0.039 0.000 1.079 2 F CA -0.291 57.729 58.000 0.033 0.000 0.967 2 F CB 1.293 40.311 39.000 0.030 0.000 1.169 2 F HN 0.747 nan 8.300 nan 0.000 0.472 3 D N 0.528 121.085 120.400 0.263 0.000 2.440 3 D HA 0.509 5.149 4.640 0.000 0.000 0.258 3 D C 0.948 177.318 176.300 0.116 0.000 1.092 3 D CA -0.557 53.545 54.000 0.170 0.000 1.016 3 D CB 0.717 41.622 40.800 0.174 0.000 1.141 3 D HN 0.543 nan 8.370 nan 0.000 0.552 4 A N -0.143 122.658 122.820 -0.030 0.000 1.927 4 A HA -0.199 4.121 4.320 0.000 0.000 0.220 4 A C 1.977 179.455 177.584 -0.178 0.000 1.185 4 A CA 1.469 53.406 52.037 -0.167 0.000 0.639 4 A CB -1.235 17.556 19.000 -0.348 0.000 0.820 4 A HN 0.584 nan 8.150 nan 0.000 0.451 5 F N 0.510 120.465 119.950 0.010 0.000 2.051 5 F HA -0.171 4.356 4.527 0.000 0.000 0.296 5 F C 3.053 178.850 175.800 -0.004 0.000 1.122 5 F CA 1.901 59.901 58.000 -0.001 0.000 1.201 5 F CB -0.970 38.032 39.000 0.003 0.000 0.978 5 F HN 0.351 nan 8.300 nan 0.000 0.472 6 T N -1.681 113.024 114.554 0.252 0.000 2.962 6 T HA -0.151 4.199 4.350 0.000 0.000 0.270 6 T C 1.794 176.484 174.700 -0.017 0.000 1.088 6 T CA 1.166 63.372 62.100 0.177 0.000 1.127 6 T CB -0.260 68.776 68.868 0.280 0.000 0.883 6 T HN 0.002 nan 8.240 nan 0.000 0.493 7 K N 1.598 121.947 120.400 -0.086 0.000 2.009 7 K HA 0.001 4.321 4.320 0.000 0.000 0.210 7 K C 2.087 178.496 176.600 -0.318 0.000 1.049 7 K CA 1.636 57.672 56.287 -0.418 0.000 0.929 7 K CB -1.109 31.274 32.500 -0.196 0.000 0.714 7 K HN 0.321 nan 8.250 nan 0.000 0.440 8 V N 0.153 119.981 119.914 -0.142 0.000 2.307 8 V HA -0.200 3.921 4.120 0.000 0.000 0.245 8 V C 2.377 178.424 176.094 -0.079 0.000 1.045 8 V CA 1.649 63.892 62.300 -0.095 0.000 1.024 8 V CB -0.359 31.440 31.823 -0.039 0.000 0.651 8 V HN 0.150 nan 8.190 nan 0.000 0.449 9 V N 0.770 120.660 119.914 -0.040 0.000 2.287 9 V HA -0.287 3.833 4.120 0.000 0.000 0.248 9 V C 2.803 178.864 176.094 -0.054 0.000 1.053 9 V CA 2.550 64.838 62.300 -0.019 0.000 1.027 9 V CB -0.899 30.940 31.823 0.028 0.000 0.646 9 V HN 0.752 nan 8.190 nan 0.000 0.447 10 S N -0.792 114.835 115.700 -0.121 0.000 2.399 10 S HA -0.308 4.162 4.470 0.000 0.000 0.231 10 S C 1.942 176.467 174.600 -0.126 0.000 1.022 10 S CA 2.019 60.142 58.200 -0.128 0.000 0.983 10 S CB -0.371 62.669 63.200 -0.267 0.000 0.803 10 S HN 0.705 nan 8.310 nan 0.000 0.480 11 Q N 0.435 120.140 119.800 -0.158 0.000 2.083 11 Q HA 0.137 4.477 4.340 0.000 0.000 0.198 11 Q C 2.630 178.594 176.000 -0.060 0.000 0.969 11 Q CA 1.336 57.074 55.803 -0.109 0.000 0.838 11 Q CB -0.451 28.218 28.738 -0.114 0.000 0.900 11 Q HN 0.780 nan 8.270 nan 0.000 0.436 12 A N 0.950 123.739 122.820 -0.051 0.000 1.930 12 A HA -0.239 4.081 4.320 0.000 0.000 0.217 12 A C 1.658 179.231 177.584 -0.019 0.000 1.175 12 A CA 1.817 53.837 52.037 -0.028 0.000 0.627 12 A CB -0.600 18.389 19.000 -0.019 0.000 0.815 12 A HN 0.414 nan 8.150 nan 0.000 0.443 13 D N -0.366 120.024 120.400 -0.017 0.000 2.123 13 D HA -0.172 4.468 4.640 0.000 0.000 0.196 13 D C 2.101 178.399 176.300 -0.004 0.000 0.992 13 D CA 2.377 56.374 54.000 -0.005 0.000 0.833 13 D CB -0.174 40.629 40.800 0.005 0.000 0.954 13 D HN 0.474 nan 8.370 nan 0.000 0.455 14 T N -2.476 112.073 114.554 -0.009 0.000 3.007 14 T HA -0.050 4.300 4.350 0.000 0.000 0.270 14 T C 1.779 176.476 174.700 -0.005 0.000 1.107 14 T CA 0.546 62.644 62.100 -0.003 0.000 1.118 14 T CB -0.235 68.631 68.868 -0.003 0.000 0.889 14 T HN 0.120 nan 8.240 nan 0.000 0.506 15 R N 0.237 120.732 120.500 -0.009 0.000 2.334 15 R HA 0.334 4.674 4.340 0.000 0.000 0.216 15 R C 1.830 178.127 176.300 -0.004 0.000 0.905 15 R CA 0.341 56.437 56.100 -0.007 0.000 1.064 15 R CB 0.099 30.393 30.300 -0.011 0.000 1.046 15 R HN 0.534 nan 8.270 nan 0.000 0.508 16 G N 1.765 110.563 108.800 -0.003 0.000 2.168 16 G HA2 -0.320 3.640 3.960 0.000 0.000 0.257 16 G HA3 -0.320 3.640 3.960 0.000 0.000 0.257 16 G C -0.125 174.774 174.900 -0.002 0.000 0.997 16 G CA 0.451 45.551 45.100 -0.001 0.000 0.708 16 G HN 0.391 nan 8.290 nan 0.000 0.520 17 E N -0.432 119.766 120.200 -0.004 0.000 2.222 17 E HA 0.702 5.052 4.350 0.000 0.000 0.267 17 E C 1.024 177.622 176.600 -0.003 0.000 0.963 17 E CA -0.867 55.531 56.400 -0.004 0.000 0.837 17 E CB 0.738 30.435 29.700 -0.005 0.000 1.183 17 E HN 0.361 nan 8.360 nan 0.000 0.403 18 M N 1.713 121.312 119.600 -0.001 0.000 2.368 18 M HA 0.335 4.815 4.480 0.000 0.000 0.311 18 M C -0.189 176.111 176.300 0.000 0.000 1.168 18 M CA -0.717 54.584 55.300 0.000 0.000 1.044 18 M CB 0.469 33.069 32.600 0.001 0.000 1.506 18 M HN 0.247 nan 8.290 nan 0.000 0.475 19 L N 1.642 122.867 121.223 0.004 0.000 2.453 19 L HA 0.138 4.478 4.340 0.000 0.000 0.272 19 L C 0.884 177.756 176.870 0.003 0.000 1.182 19 L CA -0.388 54.454 54.840 0.004 0.000 0.858 19 L CB 0.414 42.480 42.059 0.012 0.000 1.120 19 L HN 0.880 nan 8.230 nan 0.000 0.474 20 S N 0.282 115.982 115.700 0.000 0.000 2.568 20 S HA -0.005 4.466 4.470 0.000 0.000 0.282 20 S C 1.304 175.905 174.600 0.003 0.000 1.338 20 S CA -0.120 58.080 58.200 0.000 0.000 1.045 20 S CB 1.088 64.287 63.200 -0.003 0.000 0.873 20 S HN 0.798 nan 8.310 nan 0.000 0.516 21 T N 0.065 114.621 114.554 0.003 0.000 2.962 21 T HA 0.001 4.351 4.350 0.000 0.000 0.270 21 T C 1.957 176.660 174.700 0.004 0.000 1.088 21 T CA 0.797 62.900 62.100 0.005 0.000 1.127 21 T CB -0.865 68.006 68.868 0.005 0.000 0.883 21 T HN 0.915 nan 8.240 nan 0.000 0.493 22 A N 2.173 124.994 122.820 0.001 0.000 1.873 22 A HA -0.234 4.086 4.320 0.000 0.000 0.218 22 A C 2.478 180.061 177.584 -0.002 0.000 1.193 22 A CA 1.987 54.023 52.037 -0.001 0.000 0.629 22 A CB -1.023 17.974 19.000 -0.004 0.000 0.826 22 A HN 0.644 nan 8.150 nan 0.000 0.447 23 Q N -0.705 119.094 119.800 -0.002 0.000 2.135 23 Q HA -0.135 4.205 4.340 0.000 0.000 0.204 23 Q C 2.088 178.094 176.000 0.010 0.000 0.981 23 Q CA 1.581 57.383 55.803 -0.002 0.000 0.856 23 Q CB -0.340 28.396 28.738 -0.002 0.000 0.902 23 Q HN 0.769 nan 8.270 nan 0.000 0.425 24 I N 0.791 121.371 120.570 0.018 0.000 2.202 24 I HA -0.248 3.922 4.170 0.000 0.000 0.242 24 I C 1.561 177.696 176.117 0.029 0.000 1.091 24 I CA 0.956 62.276 61.300 0.033 0.000 1.368 24 I CB -0.317 37.702 38.000 0.031 0.000 1.058 24 I HN 0.141 nan 8.210 nan 0.000 0.410 25 D N 1.314 121.724 120.400 0.016 0.000 2.158 25 D HA -0.193 4.447 4.640 0.000 0.000 0.197 25 D C 2.211 178.514 176.300 0.004 0.000 0.995 25 D CA 1.599 55.606 54.000 0.011 0.000 0.846 25 D CB -0.203 40.600 40.800 0.005 0.000 0.941 25 D HN 0.360 nan 8.370 nan 0.000 0.456 26 A N 0.453 123.271 122.820 -0.004 0.000 1.883 26 A HA -0.146 4.174 4.320 0.000 0.000 0.217 26 A C 2.399 179.965 177.584 -0.030 0.000 1.186 26 A CA 1.053 53.078 52.037 -0.019 0.000 0.624 26 A CB -0.790 18.195 19.000 -0.026 0.000 0.822 26 A HN 0.231 nan 8.150 nan 0.000 0.444 27 L N -0.878 120.334 121.223 -0.019 0.000 2.056 27 L HA -0.130 4.210 4.340 0.000 0.000 0.207 27 L C 2.851 179.734 176.870 0.022 0.000 1.078 27 L CA 1.254 56.074 54.840 -0.032 0.000 0.749 27 L CB -0.434 41.655 42.059 0.049 0.000 0.901 27 L HN 0.321 nan 8.230 nan 0.000 0.433 28 S N -0.782 114.948 115.700 0.049 0.000 2.387 28 S HA -0.262 4.209 4.470 0.000 0.000 0.230 28 S C 1.988 176.602 174.600 0.022 0.000 1.035 28 S CA 1.319 59.548 58.200 0.048 0.000 1.014 28 S CB -0.184 63.037 63.200 0.036 0.000 0.836 28 S HN 0.388 nan 8.310 nan 0.000 0.466 29 Q N 0.413 120.214 119.800 0.002 0.000 2.046 29 Q HA -0.010 4.330 4.340 0.000 0.000 0.200 29 Q C 2.164 178.153 176.000 -0.019 0.000 0.975 29 Q CA 1.110 56.909 55.803 -0.008 0.000 0.836 29 Q CB -0.457 28.272 28.738 -0.014 0.000 0.896 29 Q HN 0.519 nan 8.270 nan 0.000 0.428 30 M N 0.040 119.614 119.600 -0.043 0.000 2.202 30 M HA -0.163 4.317 4.480 0.000 0.000 0.262 30 M C 1.913 178.186 176.300 -0.045 0.000 1.063 30 M CA 1.132 56.390 55.300 -0.070 0.000 1.097 30 M CB -0.040 32.472 32.600 -0.147 0.000 1.382 30 M HN 0.029 nan 8.290 nan 0.000 0.413 31 V N 0.714 120.626 119.914 -0.004 0.000 2.307 31 V HA -0.229 3.892 4.120 0.000 0.000 0.245 31 V C 2.637 178.747 176.094 0.026 0.000 1.045 31 V CA 1.859 64.186 62.300 0.046 0.000 1.024 31 V CB -1.251 30.636 31.823 0.106 0.000 0.651 31 V HN 0.636 nan 8.190 nan 0.000 0.449 32 A N -0.899 121.932 122.820 0.018 0.000 2.070 32 A HA -0.175 4.145 4.320 0.000 0.000 0.220 32 A C 1.925 179.514 177.584 0.008 0.000 1.159 32 A CA 1.449 53.494 52.037 0.014 0.000 0.656 32 A CB -0.296 18.710 19.000 0.010 0.000 0.800 32 A HN 0.634 nan 8.150 nan 0.000 0.453 33 E N -0.166 120.035 120.200 0.001 0.000 2.499 33 E HA 0.023 4.373 4.350 0.000 0.000 0.199 33 E C 1.482 178.081 176.600 -0.001 0.000 1.016 33 E CA 0.495 56.895 56.400 -0.001 0.000 0.933 33 E CB 0.200 29.895 29.700 -0.007 0.000 1.050 33 E HN 0.753 nan 8.360 nan 0.000 0.462 34 S N 0.228 115.928 115.700 -0.000 0.000 2.428 34 S HA -0.113 4.357 4.470 0.000 0.000 0.230 34 S C 1.545 176.148 174.600 0.005 0.000 1.014 34 S CA 0.769 58.965 58.200 -0.007 0.000 0.957 34 S CB -0.295 62.902 63.200 -0.005 0.000 0.784 34 S HN 0.253 nan 8.310 nan 0.000 0.499 35 N N 1.785 120.494 118.700 0.014 0.000 2.149 35 N HA -0.091 4.649 4.740 0.000 0.000 0.188 35 N C 1.810 177.337 175.510 0.028 0.000 1.019 35 N CA 1.434 54.498 53.050 0.023 0.000 0.857 35 N CB -0.151 38.349 38.487 0.022 0.000 0.997 35 N HN 0.524 nan 8.380 nan 0.000 0.426 36 K N 0.827 121.241 120.400 0.023 0.000 2.057 36 K HA -0.105 4.215 4.320 0.000 0.000 0.206 36 K C 2.101 178.724 176.600 0.038 0.000 1.050 36 K CA 0.615 56.919 56.287 0.028 0.000 0.935 36 K CB -0.111 32.402 32.500 0.021 0.000 0.715 36 K HN 0.147 nan 8.250 nan 0.000 0.439 37 R N 1.536 122.055 120.500 0.031 0.000 2.094 37 R HA -0.160 4.180 4.340 0.000 0.000 0.239 37 R C 2.253 178.594 176.300 0.068 0.000 1.137 37 R CA 1.484 57.610 56.100 0.042 0.000 0.943 37 R CB -0.387 29.917 30.300 0.007 0.000 0.850 37 R HN 0.113 nan 8.270 nan 0.000 0.433 38 L N 0.632 121.891 121.223 0.060 0.000 2.046 38 L HA -0.218 4.122 4.340 0.000 0.000 0.208 38 L C 2.251 179.182 176.870 0.102 0.000 1.077 38 L CA 1.331 56.232 54.840 0.103 0.000 0.747 38 L CB -0.650 41.464 42.059 0.091 0.000 0.896 38 L HN 0.287 nan 8.230 nan 0.000 0.432 39 D N 0.033 120.477 120.400 0.072 0.000 2.126 39 D HA -0.212 4.428 4.640 0.000 0.000 0.190 39 D C 2.257 178.600 176.300 0.072 0.000 1.001 39 D CA 2.068 56.107 54.000 0.064 0.000 0.841 39 D CB -0.351 40.478 40.800 0.048 0.000 0.949 39 D HN 0.336 nan 8.370 nan 0.000 0.446 40 V N -0.284 119.678 119.914 0.080 0.000 2.255 40 V HA -0.243 3.877 4.120 0.000 0.000 0.247 40 V C 2.421 178.579 176.094 0.107 0.000 1.051 40 V CA 1.730 64.085 62.300 0.092 0.000 1.018 40 V CB -1.003 30.881 31.823 0.101 0.000 0.641 40 V HN 0.049 nan 8.190 nan 0.000 0.445 41 V N 1.762 121.754 119.914 0.130 0.000 2.231 41 V HA -0.323 3.797 4.120 0.000 0.000 0.248 41 V C 2.724 178.878 176.094 0.099 0.000 1.054 41 V CA 3.006 65.392 62.300 0.143 0.000 1.015 41 V CB -1.399 30.564 31.823 0.234 0.000 0.638 41 V HN 0.794 nan 8.190 nan 0.000 0.444 42 N N 0.113 118.870 118.700 0.096 0.000 2.061 42 N HA -0.228 4.512 4.740 0.000 0.000 0.193 42 N C 1.947 177.488 175.510 0.051 0.000 1.030 42 N CA 1.993 55.083 53.050 0.065 0.000 0.856 42 N CB -0.242 38.283 38.487 0.063 0.000 1.023 42 N HN 0.399 nan 8.380 nan 0.000 0.424 43 R N -0.270 120.264 120.500 0.056 0.000 2.066 43 R HA 0.010 4.350 4.340 0.000 0.000 0.232 43 R C 2.353 178.682 176.300 0.048 0.000 1.131 43 R CA 1.492 57.620 56.100 0.047 0.000 0.955 43 R CB -0.397 29.932 30.300 0.047 0.000 0.851 43 R HN 0.337 nan 8.270 nan 0.000 0.432 44 I N 0.112 120.721 120.570 0.065 0.000 2.127 44 I HA -0.297 3.873 4.170 0.000 0.000 0.241 44 I C 2.192 178.335 176.117 0.044 0.000 1.075 44 I CA 1.515 62.857 61.300 0.071 0.000 1.334 44 I CB -0.491 37.575 38.000 0.110 0.000 1.040 44 I HN 0.190 nan 8.210 nan 0.000 0.405 45 T N -0.052 114.522 114.554 0.032 0.000 2.720 45 T HA -0.163 4.187 4.350 0.000 0.000 0.268 45 T C 1.992 176.696 174.700 0.007 0.000 1.037 45 T CA 1.780 63.884 62.100 0.007 0.000 1.144 45 T CB -0.199 68.668 68.868 -0.001 0.000 0.864 45 T HN 0.262 nan 8.240 nan 0.000 0.444 46 S N 1.360 117.070 115.700 0.016 0.000 2.507 46 S HA 0.004 4.474 4.470 0.000 0.000 0.235 46 S C 1.287 175.894 174.600 0.012 0.000 0.988 46 S CA 0.685 58.893 58.200 0.013 0.000 0.944 46 S CB -0.237 62.973 63.200 0.018 0.000 0.762 46 S HN 0.565 nan 8.310 nan 0.000 0.526 47 N N 0.074 118.784 118.700 0.016 0.000 2.197 47 N HA 0.386 5.126 4.740 0.000 0.000 0.228 47 N C 1.275 176.793 175.510 0.014 0.000 1.212 47 N CA 0.342 53.400 53.050 0.014 0.000 0.883 47 N CB 0.351 38.847 38.487 0.016 0.000 1.107 47 N HN 0.224 nan 8.380 nan 0.000 0.519 48 A N 0.819 123.646 122.820 0.011 0.000 1.896 48 A HA -0.280 4.040 4.320 0.000 0.000 0.220 48 A C 2.211 179.799 177.584 0.007 0.000 1.206 48 A CA 2.484 54.526 52.037 0.008 0.000 0.647 48 A CB -0.837 18.157 19.000 -0.010 0.000 0.828 48 A HN 0.417 nan 8.150 nan 0.000 0.455 49 S N -0.868 114.835 115.700 0.004 0.000 2.461 49 S HA -0.107 4.363 4.470 0.000 0.000 0.228 49 S C 1.859 176.463 174.600 0.007 0.000 1.005 49 S CA 1.566 59.769 58.200 0.006 0.000 0.942 49 S CB -1.055 62.148 63.200 0.006 0.000 0.776 49 S HN 0.856 nan 8.310 nan 0.000 0.514 50 T N 0.866 115.423 114.554 0.005 0.000 2.896 50 T HA 0.174 4.524 4.350 0.000 0.000 0.263 50 T C 1.773 176.471 174.700 -0.003 0.000 1.050 50 T CA 0.546 62.647 62.100 0.002 0.000 1.140 50 T CB -0.774 68.095 68.868 0.001 0.000 0.877 50 T HN 0.354 nan 8.240 nan 0.000 0.457 51 I N 1.069 121.640 120.570 0.001 0.000 2.118 51 I HA -0.175 3.995 4.170 0.000 0.000 0.241 51 I C 2.728 178.841 176.117 -0.007 0.000 1.070 51 I CA 1.208 62.507 61.300 -0.001 0.000 1.327 51 I CB -0.434 37.578 38.000 0.019 0.000 1.034 51 I HN 0.136 nan 8.210 nan 0.000 0.405 52 V N 0.691 120.607 119.914 0.003 0.000 2.270 52 V HA -0.272 3.848 4.120 0.000 0.000 0.245 52 V C 2.641 178.725 176.094 -0.017 0.000 1.043 52 V CA 2.256 64.555 62.300 -0.001 0.000 1.014 52 V CB -0.737 31.093 31.823 0.012 0.000 0.645 52 V HN 0.621 nan 8.190 nan 0.000 0.447 53 S N 0.735 116.433 115.700 -0.003 0.000 2.356 53 S HA -0.238 4.232 4.470 0.000 0.000 0.223 53 S C 1.825 176.414 174.600 -0.017 0.000 1.032 53 S CA 1.668 59.871 58.200 0.004 0.000 1.005 53 S CB -0.753 62.458 63.200 0.018 0.000 0.867 53 S HN 0.593 nan 8.310 nan 0.000 0.449 54 N N 3.068 121.754 118.700 -0.022 0.000 2.069 54 N HA -0.033 4.707 4.740 0.000 0.000 0.191 54 N C 2.075 177.541 175.510 -0.073 0.000 1.031 54 N CA 1.720 54.748 53.050 -0.036 0.000 0.852 54 N CB -1.201 37.268 38.487 -0.030 0.000 1.018 54 N HN 0.625 nan 8.380 nan 0.000 0.423 55 A N 1.099 123.868 122.820 -0.084 0.000 1.883 55 A HA -0.049 4.271 4.320 0.000 0.000 0.217 55 A C 2.416 179.867 177.584 -0.223 0.000 1.186 55 A CA 2.313 54.276 52.037 -0.123 0.000 0.624 55 A CB -1.032 17.909 19.000 -0.099 0.000 0.822 55 A HN 0.351 nan 8.150 nan 0.000 0.444 56 A N -0.325 122.345 122.820 -0.250 0.000 1.883 56 A HA -0.210 4.110 4.320 0.000 0.000 0.217 56 A C 2.251 179.438 177.584 -0.662 0.000 1.186 56 A CA 2.019 53.740 52.037 -0.526 0.000 0.624 56 A CB -0.573 18.268 19.000 -0.265 0.000 0.822 56 A HN 0.590 nan 8.150 nan 0.000 0.444 57 R N -0.499 119.874 120.500 -0.211 0.000 2.096 57 R HA -0.157 4.183 4.340 0.000 0.000 0.240 57 R C 2.495 178.747 176.300 -0.080 0.000 1.139 57 R CA 2.018 58.101 56.100 -0.028 0.000 0.952 57 R CB -0.439 29.878 30.300 0.028 0.000 0.854 57 R HN 0.493 nan 8.270 nan 0.000 0.436 58 S N 0.088 115.712 115.700 -0.128 0.000 2.368 58 S HA -0.127 4.344 4.470 0.000 0.000 0.225 58 S C 1.876 176.404 174.600 -0.119 0.000 1.030 58 S CA 1.202 59.347 58.200 -0.092 0.000 0.999 58 S CB -0.313 62.833 63.200 -0.090 0.000 0.844 58 S HN 0.388 nan 8.310 nan 0.000 0.459 59 L N 0.868 121.938 121.223 -0.256 0.000 2.017 59 L HA 0.027 4.367 4.340 0.000 0.000 0.208 59 L C 1.850 178.651 176.870 -0.116 0.000 1.073 59 L CA 2.041 56.726 54.840 -0.259 0.000 0.745 59 L CB -1.060 40.745 42.059 -0.424 0.000 0.894 59 L HN 0.306 nan 8.230 nan 0.000 0.432 60 F N 0.444 120.393 119.950 -0.001 0.000 2.102 60 F HA -0.072 4.455 4.527 0.000 0.000 0.298 60 F C 2.663 178.463 175.800 0.000 0.000 1.105 60 F CA 0.870 58.871 58.000 0.002 0.000 1.239 60 F CB -1.824 37.181 39.000 0.008 0.000 0.991 60 F HN 0.212 nan 8.300 nan 0.000 0.474 61 A N 0.065 122.990 122.820 0.176 0.000 1.917 61 A HA -0.245 4.075 4.320 0.000 0.000 0.219 61 A C 2.152 179.772 177.584 0.061 0.000 1.182 61 A CA 2.068 54.159 52.037 0.091 0.000 0.633 61 A CB -0.867 18.165 19.000 0.053 0.000 0.819 61 A HN 0.490 nan 8.150 nan 0.000 0.448 62 E N -0.979 119.246 120.200 0.042 0.000 2.208 62 E HA -0.076 4.274 4.350 0.000 0.000 0.193 62 E C 0.497 177.121 176.600 0.039 0.000 0.988 62 E CA 0.681 57.096 56.400 0.025 0.000 0.828 62 E CB 0.044 29.745 29.700 0.001 0.000 0.763 62 E HN 0.674 nan 8.360 nan 0.000 0.478 63 Q N 0.102 119.946 119.800 0.073 0.000 3.075 63 Q HA 0.117 4.457 4.340 0.000 0.000 0.318 63 Q C -2.106 173.954 176.000 0.100 0.000 0.907 63 Q CA -1.319 54.531 55.803 0.078 0.000 0.882 63 Q CB 1.318 30.104 28.738 0.080 0.000 1.386 63 Q HN 0.089 nan 8.270 nan 0.000 0.408 64 P HA -0.230 nan 4.420 nan 0.000 0.225 64 P C 1.233 178.546 177.300 0.021 0.000 1.148 64 P CA 1.078 64.209 63.100 0.051 0.000 0.779 64 P CB 0.273 31.989 31.700 0.027 0.000 0.780 65 Q N 0.236 120.048 119.800 0.021 0.000 2.291 65 Q HA -0.118 4.222 4.340 0.000 0.000 0.206 65 Q C 1.963 177.966 176.000 0.006 0.000 0.976 65 Q CA 1.200 57.004 55.803 0.002 0.000 0.875 65 Q CB -1.407 27.334 28.738 0.004 0.000 0.927 65 Q HN 0.320 nan 8.270 nan 0.000 0.450 66 L N 0.741 121.986 121.223 0.036 0.000 2.217 66 L HA -0.003 4.337 4.340 0.000 0.000 0.211 66 L C 2.321 179.175 176.870 -0.026 0.000 1.107 66 L CA 1.049 55.914 54.840 0.041 0.000 0.783 66 L CB -0.236 41.910 42.059 0.146 0.000 0.919 66 L HN 0.298 nan 8.230 nan 0.000 0.442 67 I N -4.156 116.370 120.570 -0.073 0.000 4.154 67 I HA 0.371 4.541 4.170 0.000 0.000 0.334 67 I C 1.067 177.147 176.117 -0.061 0.000 1.371 67 I CA -0.516 60.719 61.300 -0.109 0.000 1.110 67 I CB -0.015 37.827 38.000 -0.263 0.000 1.085 67 I HN -0.086 nan 8.210 nan 0.000 0.398 68 A N 2.808 125.573 122.820 -0.092 0.000 2.498 68 A HA 0.400 4.720 4.320 0.000 0.000 0.239 68 A C -2.288 175.091 177.584 -0.342 0.000 1.068 68 A CA -0.766 51.169 52.037 -0.171 0.000 0.766 68 A CB -0.738 18.191 19.000 -0.120 0.000 1.003 68 A HN 0.134 nan 8.150 nan 0.000 0.497 69 P HA 0.230 nan 4.420 nan 0.000 0.265 69 P C 1.161 178.173 177.300 -0.481 0.000 1.187 69 P CA 1.881 64.244 63.100 -1.227 0.000 0.766 69 P CB 0.624 31.752 31.700 -0.952 0.000 0.820 70 G N 1.502 110.153 108.800 -0.247 0.000 2.299 70 G HA2 -0.182 3.778 3.960 0.000 0.000 0.237 70 G HA3 -0.182 3.778 3.960 0.000 0.000 0.237 70 G C 0.663 175.576 174.900 0.021 0.000 1.027 70 G CA -0.085 44.992 45.100 -0.039 0.000 0.619 70 G HN 0.899 nan 8.290 nan 0.000 0.513 71 G N -0.345 108.461 108.800 0.009 0.000 2.503 71 G HA2 0.420 4.381 3.960 0.000 0.000 0.257 71 G HA3 0.420 4.381 3.960 0.000 0.000 0.257 71 G C 0.786 175.733 174.900 0.078 0.000 1.214 71 G CA 0.536 45.656 45.100 0.035 0.000 0.839 71 G HN 0.340 nan 8.290 nan 0.000 0.559 72 N N 0.751 119.481 118.700 0.050 0.000 2.348 72 N HA -0.122 4.618 4.740 0.000 0.000 0.185 72 N C 1.780 177.314 175.510 0.041 0.000 1.019 72 N CA 0.915 53.992 53.050 0.046 0.000 0.880 72 N CB 0.053 38.556 38.487 0.027 0.000 0.965 72 N HN 0.467 nan 8.380 nan 0.000 0.437 73 A N -0.438 122.398 122.820 0.028 0.000 2.500 73 A HA 0.082 4.402 4.320 0.000 0.000 0.267 73 A C -0.154 177.397 177.584 -0.055 0.000 1.290 73 A CA -0.511 51.509 52.037 -0.028 0.000 0.928 73 A CB -0.180 18.774 19.000 -0.078 0.000 1.066 73 A HN 0.388 nan 8.150 nan 0.000 0.516 74 Y N 2.050 122.288 120.300 -0.103 0.000 2.304 74 Y HA 0.431 4.981 4.550 0.000 0.000 0.327 74 Y C 0.626 176.489 175.900 -0.063 0.000 1.209 74 Y CA 0.581 58.624 58.100 -0.095 0.000 1.299 74 Y CB 0.514 38.930 38.460 -0.073 0.000 1.249 74 Y HN 0.827 nan 8.280 nan 0.000 0.519 75 T N 1.070 115.069 114.554 -0.925 0.000 0.541 75 T HA -0.165 4.186 4.350 0.000 0.000 0.774 75 T C 0.377 174.891 174.700 -0.311 0.000 0.992 75 T CA 0.023 61.717 62.100 -0.677 0.000 4.077 75 T CB -1.675 66.891 68.868 -0.503 0.000 2.303 75 T HN 0.782 nan 8.240 nan 0.000 0.398 76 S N 1.040 116.608 115.700 -0.220 0.000 2.368 76 S HA -0.125 4.345 4.470 0.000 0.000 0.225 76 S C 2.324 176.871 174.600 -0.087 0.000 1.030 76 S CA 1.885 60.010 58.200 -0.124 0.000 0.999 76 S CB -0.796 62.350 63.200 -0.091 0.000 0.844 76 S HN 1.167 nan 8.310 nan 0.000 0.459 77 T N 1.987 116.489 114.554 -0.086 0.000 2.685 77 T HA -0.191 4.159 4.350 0.000 0.000 0.268 77 T C 1.899 176.577 174.700 -0.037 0.000 1.034 77 T CA 1.461 63.531 62.100 -0.050 0.000 1.149 77 T CB -0.195 68.648 68.868 -0.042 0.000 0.860 77 T HN 0.365 nan 8.240 nan 0.000 0.449 78 R N -0.439 120.025 120.500 -0.059 0.000 2.075 78 R HA 0.087 4.427 4.340 0.000 0.000 0.226 78 R C 2.488 178.782 176.300 -0.010 0.000 1.114 78 R CA 1.407 57.491 56.100 -0.027 0.000 0.972 78 R CB -0.486 29.796 30.300 -0.031 0.000 0.869 78 R HN 0.387 nan 8.270 nan 0.000 0.437 79 M N 1.430 121.003 119.600 -0.045 0.000 2.108 79 M HA -0.107 4.373 4.480 0.000 0.000 0.261 79 M C 2.102 178.423 176.300 0.035 0.000 1.066 79 M CA 1.788 57.075 55.300 -0.022 0.000 1.107 79 M CB -0.427 32.127 32.600 -0.076 0.000 1.356 79 M HN 0.120 nan 8.290 nan 0.000 0.406 80 A N -0.238 122.589 122.820 0.013 0.000 1.877 80 A HA 0.080 4.400 4.320 0.000 0.000 0.216 80 A C 2.416 180.026 177.584 0.045 0.000 1.186 80 A CA 2.176 54.229 52.037 0.027 0.000 0.620 80 A CB -1.525 17.480 19.000 0.008 0.000 0.822 80 A HN 0.684 nan 8.150 nan 0.000 0.443 81 A N -1.177 121.668 122.820 0.042 0.000 1.940 81 A HA -0.217 4.103 4.320 0.000 0.000 0.219 81 A C 2.401 180.038 177.584 0.088 0.000 1.176 81 A CA 1.800 53.873 52.037 0.060 0.000 0.631 81 A CB -1.335 17.699 19.000 0.057 0.000 0.814 81 A HN 0.841 nan 8.150 nan 0.000 0.446 82 C N -0.717 118.641 119.300 0.097 0.000 2.466 82 C HA 0.098 4.558 4.460 0.000 0.000 0.278 82 C C 2.583 177.651 174.990 0.130 0.000 1.288 82 C CA 0.949 60.044 59.018 0.128 0.000 1.722 82 C CB -1.498 26.346 27.740 0.173 0.000 2.017 82 C HN 0.574 nan 8.230 nan 0.000 0.488 83 L N 0.650 121.949 121.223 0.128 0.000 2.093 83 L HA -0.090 4.250 4.340 0.000 0.000 0.208 83 L C 3.032 179.947 176.870 0.075 0.000 1.085 83 L CA 1.595 56.496 54.840 0.103 0.000 0.755 83 L CB -0.859 41.258 42.059 0.097 0.000 0.904 83 L HN 0.375 nan 8.230 nan 0.000 0.435 84 R N 0.422 120.966 120.500 0.072 0.000 2.091 84 R HA -0.196 4.145 4.340 0.000 0.000 0.238 84 R C 1.705 178.049 176.300 0.074 0.000 1.136 84 R CA 2.073 58.210 56.100 0.061 0.000 0.959 84 R CB -0.180 30.153 30.300 0.055 0.000 0.856 84 R HN 0.343 nan 8.270 nan 0.000 0.437 85 D N 0.057 120.516 120.400 0.099 0.000 2.117 85 D HA -0.150 4.490 4.640 0.000 0.000 0.198 85 D C 2.024 178.388 176.300 0.107 0.000 0.982 85 D CA 1.077 55.152 54.000 0.126 0.000 0.828 85 D CB -0.116 40.798 40.800 0.191 0.000 0.967 85 D HN 0.171 nan 8.370 nan 0.000 0.464 86 M N 0.393 120.044 119.600 0.086 0.000 2.073 86 M HA -0.183 4.297 4.480 0.000 0.000 0.258 86 M C 2.231 178.566 176.300 0.058 0.000 1.070 86 M CA 1.380 56.720 55.300 0.066 0.000 1.103 86 M CB -0.963 31.661 32.600 0.039 0.000 1.321 86 M HN 0.139 nan 8.290 nan 0.000 0.405 87 E N 0.641 120.866 120.200 0.042 0.000 2.077 87 E HA -0.170 4.180 4.350 0.000 0.000 0.193 87 E C 2.022 178.618 176.600 -0.007 0.000 0.989 87 E CA 1.132 57.539 56.400 0.013 0.000 0.800 87 E CB -0.044 29.660 29.700 0.007 0.000 0.746 87 E HN 0.470 nan 8.360 nan 0.000 0.452 88 I N 0.657 121.245 120.570 0.031 0.000 2.163 88 I HA -0.302 3.868 4.170 0.000 0.000 0.243 88 I C 2.377 178.559 176.117 0.109 0.000 1.085 88 I CA 1.103 62.441 61.300 0.063 0.000 1.347 88 I CB -0.210 37.874 38.000 0.140 0.000 1.044 88 I HN 0.218 nan 8.210 nan 0.000 0.408 89 I N -0.004 120.629 120.570 0.105 0.000 2.226 89 I HA -0.304 3.866 4.170 0.000 0.000 0.245 89 I C 2.479 178.603 176.117 0.012 0.000 1.100 89 I CA 1.131 62.487 61.300 0.094 0.000 1.374 89 I CB -0.299 37.758 38.000 0.095 0.000 1.057 89 I HN 0.223 nan 8.210 nan 0.000 0.413 90 L N 1.009 122.236 121.223 0.008 0.000 2.042 90 L HA -0.234 4.106 4.340 0.000 0.000 0.210 90 L C 2.618 179.383 176.870 -0.175 0.000 1.076 90 L CA 1.797 56.620 54.840 -0.029 0.000 0.749 90 L CB -0.615 41.470 42.059 0.043 0.000 0.893 90 L HN 0.095 nan 8.230 nan 0.000 0.432 91 R N -1.722 118.624 120.500 -0.258 0.000 2.097 91 R HA -0.262 4.078 4.340 0.000 0.000 0.236 91 R C 2.325 178.080 176.300 -0.908 0.000 1.135 91 R CA 2.520 58.262 56.100 -0.596 0.000 0.934 91 R CB -0.711 29.192 30.300 -0.661 0.000 0.846 91 R HN 0.426 nan 8.270 nan 0.000 0.431 92 Y N -0.153 119.823 120.300 -0.540 0.000 2.224 92 Y HA -0.190 4.360 4.550 0.000 0.000 0.289 92 Y C 2.317 178.043 175.900 -0.290 0.000 1.146 92 Y CA 1.274 59.148 58.100 -0.377 0.000 1.182 92 Y CB -0.387 37.983 38.460 -0.149 0.000 0.983 92 Y HN -0.068 nan 8.280 nan 0.000 0.524 93 V N -0.113 119.692 119.914 -0.180 0.000 2.282 93 V HA -0.375 3.745 4.120 0.000 0.000 0.249 93 V C 2.587 178.542 176.094 -0.232 0.000 1.057 93 V CA 2.548 64.665 62.300 -0.305 0.000 1.032 93 V CB -1.374 30.079 31.823 -0.617 0.000 0.645 93 V HN 0.662 nan 8.190 nan 0.000 0.447 94 T N -1.881 112.546 114.554 -0.210 0.000 2.720 94 T HA -0.276 4.074 4.350 0.000 0.000 0.268 94 T C 1.844 176.575 174.700 0.052 0.000 1.037 94 T CA 1.867 63.920 62.100 -0.077 0.000 1.144 94 T CB -0.572 68.247 68.868 -0.081 0.000 0.864 94 T HN 0.399 nan 8.240 nan 0.000 0.444 95 Y N 2.400 122.645 120.300 -0.091 0.000 2.081 95 Y HA 0.037 4.587 4.550 0.000 0.000 0.280 95 Y C 3.211 179.092 175.900 -0.031 0.000 1.163 95 Y CA 0.321 58.389 58.100 -0.052 0.000 1.135 95 Y CB -1.624 36.791 38.460 -0.076 0.000 0.970 95 Y HN 0.406 nan 8.280 nan 0.000 0.498 96 A N -0.333 122.457 122.820 -0.050 0.000 1.902 96 A HA -0.116 4.204 4.320 0.000 0.000 0.217 96 A C 2.548 179.959 177.584 -0.289 0.000 1.181 96 A CA 1.877 53.687 52.037 -0.378 0.000 0.623 96 A CB -1.187 17.204 19.000 -1.016 0.000 0.818 96 A HN 0.243 nan 8.150 nan 0.000 0.443 97 V N -1.107 118.745 119.914 -0.103 0.000 2.255 97 V HA -0.277 3.843 4.120 0.000 0.000 0.247 97 V C 2.288 178.496 176.094 0.190 0.000 1.051 97 V CA 2.276 64.701 62.300 0.209 0.000 1.018 97 V CB -1.033 30.930 31.823 0.233 0.000 0.641 97 V HN 0.648 nan 8.190 nan 0.000 0.445 98 F N 1.433 121.418 119.950 0.058 0.000 2.095 98 F HA -0.217 4.310 4.527 0.000 0.000 0.298 98 F C 2.226 178.057 175.800 0.052 0.000 1.104 98 F CA 1.823 59.861 58.000 0.063 0.000 1.232 98 F CB -0.377 38.667 39.000 0.074 0.000 0.987 98 F HN 0.076 nan 8.300 nan 0.000 0.475 99 A N -0.087 122.838 122.820 0.174 0.000 2.067 99 A HA 0.236 4.556 4.320 0.000 0.000 0.217 99 A C 1.784 179.366 177.584 -0.004 0.000 1.156 99 A CA 0.865 52.941 52.037 0.064 0.000 0.683 99 A CB -1.470 17.611 19.000 0.135 0.000 0.808 99 A HN 1.089 nan 8.150 nan 0.000 0.455 100 G N -0.704 108.114 108.800 0.030 0.000 2.298 100 G HA2 -0.119 3.841 3.960 0.000 0.000 0.287 100 G HA3 -0.119 3.841 3.960 0.000 0.000 0.287 100 G C -0.316 174.644 174.900 0.099 0.000 1.075 100 G CA 0.728 45.868 45.100 0.068 0.000 0.960 100 G HN 0.921 nan 8.290 nan 0.000 0.502 101 D N -2.228 118.237 120.400 0.107 0.000 2.747 101 D HA 0.575 5.215 4.640 0.000 0.000 0.218 101 D C 0.703 177.013 176.300 0.017 0.000 1.230 101 D CA 0.396 54.469 54.000 0.121 0.000 0.774 101 D CB 0.120 40.997 40.800 0.129 0.000 1.667 101 D HN 0.631 nan 8.370 nan 0.000 0.499 102 A N 1.818 124.696 122.820 0.097 0.000 2.169 102 A HA 0.058 4.378 4.320 0.000 0.000 0.212 102 A C 1.972 179.558 177.584 0.002 0.000 1.153 102 A CA 1.318 53.354 52.037 -0.002 0.000 0.756 102 A CB -0.540 18.588 19.000 0.214 0.000 0.813 102 A HN 0.598 nan 8.150 nan 0.000 0.471 103 S N -0.087 115.651 115.700 0.063 0.000 2.365 103 S HA -0.203 4.267 4.470 0.000 0.000 0.225 103 S C 1.824 176.420 174.600 -0.006 0.000 1.039 103 S CA 1.458 59.688 58.200 0.051 0.000 1.033 103 S CB -1.237 62.019 63.200 0.093 0.000 0.887 103 S HN 0.592 nan 8.310 nan 0.000 0.447 104 V N 1.648 121.566 119.914 0.007 0.000 2.332 104 V HA -0.134 3.986 4.120 0.000 0.000 0.248 104 V C 2.383 178.501 176.094 0.040 0.000 1.055 104 V CA 2.189 64.517 62.300 0.047 0.000 1.038 104 V CB -0.633 31.263 31.823 0.122 0.000 0.651 104 V HN 0.585 nan 8.190 nan 0.000 0.450 105 L N 0.163 121.395 121.223 0.015 0.000 2.027 105 L HA -0.077 4.263 4.340 0.000 0.000 0.206 105 L C 2.507 179.308 176.870 -0.115 0.000 1.074 105 L CA 2.140 56.949 54.840 -0.052 0.000 0.745 105 L CB -0.971 41.048 42.059 -0.068 0.000 0.898 105 L HN 0.312 nan 8.230 nan 0.000 0.433 106 E N 0.346 120.511 120.200 -0.059 0.000 2.023 106 E HA -0.227 4.123 4.350 0.000 0.000 0.196 106 E C 1.952 178.500 176.600 -0.087 0.000 1.003 106 E CA 1.778 58.148 56.400 -0.050 0.000 0.809 106 E CB -0.526 29.172 29.700 -0.003 0.000 0.755 106 E HN 0.599 nan 8.360 nan 0.000 0.449 107 D N 0.002 120.351 120.400 -0.085 0.000 2.117 107 D HA -0.097 4.543 4.640 0.000 0.000 0.198 107 D C 1.836 178.053 176.300 -0.139 0.000 0.982 107 D CA 1.021 54.963 54.000 -0.096 0.000 0.828 107 D CB -0.147 40.599 40.800 -0.090 0.000 0.967 107 D HN 0.130 nan 8.370 nan 0.000 0.464 108 R N -1.077 119.299 120.500 -0.206 0.000 2.334 108 R HA 0.239 4.579 4.340 0.000 0.000 0.212 108 R C 1.419 177.416 176.300 -0.505 0.000 0.897 108 R CA -0.049 55.890 56.100 -0.269 0.000 1.056 108 R CB 0.564 30.772 30.300 -0.153 0.000 1.046 108 R HN 0.182 nan 8.270 nan 0.000 0.513 109 C N -0.745 118.224 119.300 -0.551 0.000 2.646 109 C HA 0.285 4.745 4.460 0.000 0.000 0.428 109 C C 2.003 176.828 174.990 -0.276 0.000 1.492 109 C CA -0.166 58.510 59.018 -0.569 0.000 2.538 109 C CB -0.372 26.853 27.740 -0.858 0.000 2.609 109 C HN 0.328 nan 8.230 nan 0.000 0.594 110 L N 1.675 122.778 121.223 -0.201 0.000 2.095 110 L HA 0.072 4.412 4.340 0.000 0.000 0.204 110 L C 1.187 177.999 176.870 -0.097 0.000 1.080 110 L CA 0.884 55.658 54.840 -0.110 0.000 0.759 110 L CB -0.890 41.133 42.059 -0.061 0.000 0.914 110 L HN 0.531 nan 8.230 nan 0.000 0.439 111 N N 0.875 119.516 118.700 -0.098 0.000 2.411 111 N HA -0.048 4.692 4.740 0.000 0.000 0.265 111 N C 0.963 176.421 175.510 -0.086 0.000 1.266 111 N CA 1.088 54.093 53.050 -0.075 0.000 0.889 111 N CB 0.796 39.243 38.487 -0.066 0.000 1.069 111 N HN 0.404 nan 8.380 nan 0.000 0.476 112 G N 3.049 111.807 108.800 -0.071 0.000 2.225 112 G HA2 -0.292 3.668 3.960 0.000 0.000 0.254 112 G HA3 -0.292 3.668 3.960 0.000 0.000 0.254 112 G C 0.764 175.596 174.900 -0.113 0.000 0.988 112 G CA 0.327 45.380 45.100 -0.078 0.000 0.625 112 G HN 0.560 nan 8.290 nan 0.000 0.527 113 L N 1.273 122.413 121.223 -0.139 0.000 2.017 113 L HA 0.192 4.532 4.340 0.000 0.000 0.208 113 L C 2.759 179.502 176.870 -0.213 0.000 1.073 113 L CA 3.005 57.700 54.840 -0.240 0.000 0.745 113 L CB -0.664 41.266 42.059 -0.215 0.000 0.894 113 L HN 0.460 nan 8.230 nan 0.000 0.432 114 R N -0.640 119.827 120.500 -0.055 0.000 2.119 114 R HA -0.247 4.093 4.340 0.000 0.000 0.246 114 R C 1.986 178.303 176.300 0.027 0.000 1.146 114 R CA 2.051 58.173 56.100 0.037 0.000 0.962 114 R CB -0.113 30.211 30.300 0.040 0.000 0.863 114 R HN 0.394 nan 8.270 nan 0.000 0.442 115 E N -0.533 119.655 120.200 -0.020 0.000 2.072 115 E HA -0.081 4.269 4.350 0.000 0.000 0.190 115 E C 1.975 178.558 176.600 -0.028 0.000 0.982 115 E CA 1.892 58.283 56.400 -0.014 0.000 0.803 115 E CB -0.257 29.429 29.700 -0.024 0.000 0.755 115 E HN 0.358 nan 8.360 nan 0.000 0.453 116 T N 0.388 114.882 114.554 -0.099 0.000 2.708 116 T HA -0.169 4.181 4.350 0.000 0.000 0.266 116 T C 1.394 176.063 174.700 -0.051 0.000 1.037 116 T CA 1.385 63.409 62.100 -0.127 0.000 1.146 116 T CB -0.501 68.217 68.868 -0.250 0.000 0.865 116 T HN 0.128 nan 8.240 nan 0.000 0.435 117 Y N 0.999 121.304 120.300 0.009 0.000 2.181 117 Y HA -0.006 4.544 4.550 0.000 0.000 0.288 117 Y C 2.378 178.287 175.900 0.015 0.000 1.146 117 Y CA -0.251 57.858 58.100 0.015 0.000 1.164 117 Y CB -0.978 37.493 38.460 0.018 0.000 0.982 117 Y HN 0.071 nan 8.280 nan 0.000 0.515 118 L N -0.143 121.178 121.223 0.163 0.000 1.989 118 L HA -0.234 4.106 4.340 0.000 0.000 0.211 118 L C 2.466 179.380 176.870 0.073 0.000 1.071 118 L CA 2.211 57.109 54.840 0.097 0.000 0.749 118 L CB -1.631 40.466 42.059 0.064 0.000 0.890 118 L HN 0.245 nan 8.230 nan 0.000 0.431 119 A N -0.796 122.059 122.820 0.057 0.000 1.940 119 A HA -0.211 4.109 4.320 0.000 0.000 0.219 119 A C 2.321 179.936 177.584 0.052 0.000 1.176 119 A CA 1.773 53.835 52.037 0.041 0.000 0.631 119 A CB -0.622 18.392 19.000 0.023 0.000 0.814 119 A HN 0.480 nan 8.150 nan 0.000 0.446 120 L N -1.893 119.377 121.223 0.079 0.000 2.179 120 L HA 0.138 4.478 4.340 0.000 0.000 0.208 120 L C 1.814 178.729 176.870 0.075 0.000 1.096 120 L CA 0.797 55.688 54.840 0.084 0.000 0.779 120 L CB -0.213 41.924 42.059 0.129 0.000 0.922 120 L HN 0.615 nan 8.230 nan 0.000 0.443 121 G N -0.255 108.593 108.800 0.079 0.000 2.131 121 G HA2 -0.224 3.736 3.960 0.000 0.000 0.223 121 G HA3 -0.224 3.736 3.960 0.000 0.000 0.223 121 G C 0.233 175.162 174.900 0.049 0.000 0.990 121 G CA 0.092 45.226 45.100 0.057 0.000 0.671 121 G HN 0.225 nan 8.290 nan 0.000 0.521 122 T N 3.058 117.653 114.554 0.068 0.000 2.832 122 T HA 0.514 4.864 4.350 0.000 0.000 0.296 122 T C -2.025 172.623 174.700 -0.086 0.000 0.968 122 T CA -0.500 61.584 62.100 -0.027 0.000 1.107 122 T CB 1.880 70.704 68.868 -0.075 0.000 0.916 122 T HN 0.204 nan 8.240 nan 0.000 0.517 123 P HA 0.237 nan 4.420 nan 0.000 0.286 123 P C 1.076 178.284 177.300 -0.152 0.000 1.321 123 P CA -0.321 62.731 63.100 -0.081 0.000 0.790 123 P CB 0.916 32.592 31.700 -0.041 0.000 0.897 124 G N 3.811 112.550 108.800 -0.102 0.000 2.459 124 G HA2 -0.314 3.646 3.960 0.000 0.000 0.217 124 G HA3 -0.314 3.646 3.960 0.000 0.000 0.217 124 G C 1.624 176.493 174.900 -0.050 0.000 1.183 124 G CA 1.255 46.311 45.100 -0.074 0.000 0.776 124 G HN 0.542 nan 8.290 nan 0.000 0.552 125 S N 0.663 116.350 115.700 -0.021 0.000 2.380 125 S HA -0.201 4.269 4.470 0.000 0.000 0.229 125 S C 2.417 177.002 174.600 -0.024 0.000 1.043 125 S CA 2.139 60.333 58.200 -0.010 0.000 1.038 125 S CB -0.678 62.520 63.200 -0.003 0.000 0.872 125 S HN 0.273 nan 8.310 nan 0.000 0.456 126 S N 1.485 117.160 115.700 -0.043 0.000 2.356 126 S HA -0.036 4.434 4.470 0.000 0.000 0.223 126 S C 2.046 176.610 174.600 -0.059 0.000 1.032 126 S CA 1.263 59.438 58.200 -0.042 0.000 1.005 126 S CB -0.723 62.458 63.200 -0.031 0.000 0.867 126 S HN 0.478 nan 8.310 nan 0.000 0.449 127 V N 2.490 122.343 119.914 -0.101 0.000 2.252 127 V HA -0.273 3.847 4.120 0.000 0.000 0.249 127 V C 2.708 178.794 176.094 -0.014 0.000 1.056 127 V CA 1.810 64.060 62.300 -0.082 0.000 1.022 127 V CB -1.480 30.252 31.823 -0.151 0.000 0.641 127 V HN 0.548 nan 8.190 nan 0.000 0.445 128 A N -0.140 122.682 122.820 0.003 0.000 1.927 128 A HA -0.215 4.105 4.320 0.000 0.000 0.220 128 A C 2.411 180.001 177.584 0.011 0.000 1.185 128 A CA 2.437 54.491 52.037 0.028 0.000 0.639 128 A CB -0.858 18.160 19.000 0.031 0.000 0.820 128 A HN 0.370 nan 8.150 nan 0.000 0.451 129 V N -0.286 119.621 119.914 -0.013 0.000 2.295 129 V HA -0.194 3.926 4.120 0.000 0.000 0.246 129 V C 2.817 178.886 176.094 -0.042 0.000 1.049 129 V CA 2.047 64.331 62.300 -0.027 0.000 1.024 129 V CB -1.484 30.319 31.823 -0.034 0.000 0.648 129 V HN 0.632 nan 8.190 nan 0.000 0.447 130 G N -0.264 108.505 108.800 -0.052 0.000 2.418 130 G HA2 -0.198 3.762 3.960 0.000 0.000 0.217 130 G HA3 -0.198 3.762 3.960 0.000 0.000 0.217 130 G C 1.682 176.568 174.900 -0.023 0.000 1.158 130 G CA 1.186 46.243 45.100 -0.071 0.000 0.771 130 G HN 0.364 nan 8.290 nan 0.000 0.545 131 V N 2.312 122.243 119.914 0.029 0.000 2.252 131 V HA -0.279 3.841 4.120 0.000 0.000 0.249 131 V C 2.831 178.952 176.094 0.044 0.000 1.056 131 V CA 2.593 64.953 62.300 0.100 0.000 1.022 131 V CB -0.625 31.288 31.823 0.150 0.000 0.641 131 V HN 0.697 nan 8.190 nan 0.000 0.445 132 K N 0.706 121.109 120.400 0.005 0.000 2.059 132 K HA -0.306 4.014 4.320 0.000 0.000 0.212 132 K C 2.111 178.644 176.600 -0.112 0.000 1.050 132 K CA 2.298 58.556 56.287 -0.048 0.000 0.927 132 K CB -0.409 32.072 32.500 -0.032 0.000 0.714 132 K HN 0.403 nan 8.250 nan 0.000 0.447 133 K N 0.201 120.545 120.400 -0.094 0.000 2.057 133 K HA -0.031 4.289 4.320 0.000 0.000 0.206 133 K C 2.348 178.861 176.600 -0.145 0.000 1.050 133 K CA 1.826 58.047 56.287 -0.110 0.000 0.935 133 K CB -0.150 32.291 32.500 -0.098 0.000 0.715 133 K HN 0.235 nan 8.250 nan 0.000 0.439 134 M N 1.071 120.590 119.600 -0.135 0.000 2.149 134 M HA -0.207 4.273 4.480 0.000 0.000 0.261 134 M C 2.353 178.392 176.300 -0.436 0.000 1.064 134 M CA 1.481 56.693 55.300 -0.147 0.000 1.102 134 M CB -0.210 32.405 32.600 0.024 0.000 1.369 134 M HN 0.065 nan 8.290 nan 0.000 0.408 135 K N 0.598 120.562 120.400 -0.726 0.000 2.103 135 K HA -0.209 4.111 4.320 0.000 0.000 0.207 135 K C 1.621 177.880 176.600 -0.568 0.000 1.048 135 K CA 1.589 57.150 56.287 -1.210 0.000 0.930 135 K CB -0.073 31.936 32.500 -0.818 0.000 0.716 135 K HN 0.428 nan 8.250 nan 0.000 0.444 136 E N -0.380 119.626 120.200 -0.323 0.000 2.046 136 E HA -0.130 4.220 4.350 0.000 0.000 0.190 136 E C 1.937 178.441 176.600 -0.160 0.000 0.982 136 E CA 0.935 57.220 56.400 -0.191 0.000 0.800 136 E CB -0.053 29.568 29.700 -0.131 0.000 0.756 136 E HN 0.420 nan 8.360 nan 0.000 0.449 137 A N 1.367 124.094 122.820 -0.154 0.000 1.898 137 A HA -0.097 4.223 4.320 0.000 0.000 0.216 137 A C 2.339 179.874 177.584 -0.081 0.000 1.181 137 A CA 1.608 53.586 52.037 -0.097 0.000 0.620 137 A CB -0.607 18.346 19.000 -0.078 0.000 0.819 137 A HN 0.317 nan 8.150 nan 0.000 0.442 138 A N 0.155 122.903 122.820 -0.120 0.000 1.849 138 A HA -0.163 4.157 4.320 0.000 0.000 0.217 138 A C 2.196 179.766 177.584 -0.024 0.000 1.202 138 A CA 1.750 53.762 52.037 -0.042 0.000 0.629 138 A CB -0.868 18.115 19.000 -0.029 0.000 0.834 138 A HN 0.482 nan 8.150 nan 0.000 0.447 139 L N -0.899 120.279 121.223 -0.076 0.000 2.012 139 L HA -0.242 4.099 4.340 0.000 0.000 0.210 139 L C 3.139 179.997 176.870 -0.021 0.000 1.073 139 L CA 1.242 56.063 54.840 -0.032 0.000 0.748 139 L CB -0.729 41.295 42.059 -0.058 0.000 0.891 139 L HN 0.476 nan 8.230 nan 0.000 0.431 140 A N 0.049 122.846 122.820 -0.038 0.000 1.948 140 A HA -0.244 4.076 4.320 0.000 0.000 0.220 140 A C 2.222 179.800 177.584 -0.009 0.000 1.177 140 A CA 1.896 53.918 52.037 -0.025 0.000 0.636 140 A CB -0.743 18.237 19.000 -0.032 0.000 0.815 140 A HN 0.405 nan 8.150 nan 0.000 0.449 141 I N -0.983 119.584 120.570 -0.004 0.000 2.353 141 I HA -0.173 3.997 4.170 0.000 0.000 0.248 141 I C 2.339 178.468 176.117 0.021 0.000 1.119 141 I CA 0.796 62.101 61.300 0.009 0.000 1.417 141 I CB -0.081 37.929 38.000 0.016 0.000 1.078 141 I HN 0.181 nan 8.210 nan 0.000 0.421 142 V N 1.103 121.034 119.914 0.028 0.000 2.223 142 V HA -0.290 3.830 4.120 0.000 0.000 0.244 142 V C 1.822 177.931 176.094 0.025 0.000 1.045 142 V CA 1.963 64.285 62.300 0.037 0.000 1.000 142 V CB -0.792 31.063 31.823 0.053 0.000 0.635 142 V HN 0.469 nan 8.190 nan 0.000 0.445 143 N N 0.251 118.961 118.700 0.016 0.000 2.609 143 N HA -0.076 4.664 4.740 0.000 0.000 0.190 143 N C 0.586 176.100 175.510 0.007 0.000 1.157 143 N CA 0.333 53.389 53.050 0.010 0.000 0.918 143 N CB -0.472 38.017 38.487 0.003 0.000 0.978 143 N HN 0.494 nan 8.380 nan 0.000 0.448 144 D N 1.590 121.995 120.400 0.008 0.000 2.434 144 D HA 0.023 4.663 4.640 0.000 0.000 0.252 144 D C -1.451 174.854 176.300 0.008 0.000 1.185 144 D CA -1.501 52.503 54.000 0.006 0.000 0.886 144 D CB 1.318 42.122 40.800 0.006 0.000 1.148 144 D HN 0.079 nan 8.370 nan 0.000 0.483 145 P HA 0.085 nan 4.420 nan 0.000 0.225 145 P C -0.211 177.093 177.300 0.007 0.000 1.156 145 P CA 0.156 63.260 63.100 0.007 0.000 0.787 145 P CB 0.130 31.832 31.700 0.004 0.000 0.802 146 A N 0.426 123.250 122.820 0.007 0.000 2.540 146 A HA 0.420 4.740 4.320 0.000 0.000 0.239 146 A C 1.499 179.088 177.584 0.009 0.000 1.061 146 A CA 0.583 52.624 52.037 0.007 0.000 0.758 146 A CB -1.233 17.770 19.000 0.006 0.000 0.991 146 A HN 0.366 nan 8.150 nan 0.000 0.502 147 G N 0.565 109.371 108.800 0.009 0.000 2.198 147 G HA2 -0.203 3.757 3.960 0.000 0.000 0.260 147 G HA3 -0.203 3.757 3.960 0.000 0.000 0.260 147 G C -0.057 174.850 174.900 0.013 0.000 1.025 147 G CA 0.721 45.827 45.100 0.011 0.000 0.769 147 G HN 1.199 nan 8.290 nan 0.000 0.507 148 I N -0.644 119.933 120.570 0.012 0.000 2.913 148 I HA 0.368 4.538 4.170 0.000 0.000 0.302 148 I C 0.276 176.400 176.117 0.012 0.000 1.246 148 I CA -0.876 60.432 61.300 0.014 0.000 1.010 148 I CB 1.854 39.864 38.000 0.017 0.000 1.259 148 I HN 0.004 nan 8.210 nan 0.000 0.434 149 T N 6.257 120.819 114.554 0.013 0.000 2.829 149 T HA 0.160 4.510 4.350 0.000 0.000 0.293 149 T C -2.356 172.350 174.700 0.011 0.000 0.970 149 T CA -0.361 61.746 62.100 0.011 0.000 1.168 149 T CB -0.183 68.692 68.868 0.012 0.000 0.911 149 T HN 0.257 nan 8.240 nan 0.000 0.535 150 P HA 0.514 nan 4.420 nan 0.000 0.271 150 P C 0.234 177.538 177.300 0.007 0.000 1.216 150 P CA -0.099 63.005 63.100 0.008 0.000 0.776 150 P CB 0.818 32.522 31.700 0.006 0.000 0.881 151 G N 0.802 109.607 108.800 0.007 0.000 2.489 151 G HA2 0.388 4.348 3.960 0.000 0.000 0.305 151 G HA3 0.388 4.348 3.960 0.000 0.000 0.305 151 G C -1.947 172.956 174.900 0.006 0.000 1.311 151 G CA -0.540 44.564 45.100 0.006 0.000 0.813 151 G HN 0.457 nan 8.290 nan 0.000 0.480 152 D N -0.872 119.530 120.400 0.005 0.000 2.359 152 D HA 0.452 5.092 4.640 0.000 0.000 0.230 152 D C 0.619 176.922 176.300 0.005 0.000 1.118 152 D CA -0.367 53.635 54.000 0.003 0.000 0.844 152 D CB 0.800 41.601 40.800 0.001 0.000 1.059 152 D HN 0.313 nan 8.370 nan 0.000 0.493 153 C N 2.874 122.177 119.300 0.006 0.000 2.780 153 C HA 0.090 4.550 4.460 0.000 0.000 0.287 153 C C 2.304 177.298 174.990 0.006 0.000 1.288 153 C CA 0.336 59.359 59.018 0.010 0.000 1.713 153 C CB -1.717 26.032 27.740 0.016 0.000 1.955 153 C HN 0.780 nan 8.230 nan 0.000 0.613 154 S N 1.989 117.690 115.700 0.001 0.000 2.355 154 S HA -0.123 4.347 4.470 0.000 0.000 0.222 154 S C 2.106 176.702 174.600 -0.007 0.000 1.031 154 S CA 1.429 59.628 58.200 -0.003 0.000 0.993 154 S CB -0.499 62.698 63.200 -0.005 0.000 0.859 154 S HN 0.581 nan 8.310 nan 0.000 0.453 155 A N 1.583 124.397 122.820 -0.010 0.000 1.940 155 A HA 0.016 4.337 4.320 0.000 0.000 0.219 155 A C 2.251 179.822 177.584 -0.021 0.000 1.176 155 A CA 1.682 53.708 52.037 -0.018 0.000 0.631 155 A CB -0.884 18.105 19.000 -0.018 0.000 0.814 155 A HN 0.519 nan 8.150 nan 0.000 0.446 156 L N -0.447 120.772 121.223 -0.007 0.000 2.023 156 L HA 0.020 4.360 4.340 0.000 0.000 0.205 156 L C 2.808 179.683 176.870 0.009 0.000 1.073 156 L CA 2.041 56.883 54.840 0.004 0.000 0.745 156 L CB -1.091 40.981 42.059 0.022 0.000 0.900 156 L HN 0.356 nan 8.230 nan 0.000 0.435 157 A N -1.582 121.247 122.820 0.015 0.000 1.927 157 A HA -0.317 4.003 4.320 0.000 0.000 0.220 157 A C 2.567 180.152 177.584 0.002 0.000 1.185 157 A CA 2.351 54.400 52.037 0.020 0.000 0.639 157 A CB -1.231 17.776 19.000 0.011 0.000 0.820 157 A HN 0.533 nan 8.150 nan 0.000 0.451 158 S N -1.011 114.677 115.700 -0.020 0.000 2.368 158 S HA -0.207 4.263 4.470 0.000 0.000 0.225 158 S C 2.051 176.599 174.600 -0.086 0.000 1.030 158 S CA 1.634 59.810 58.200 -0.039 0.000 0.999 158 S CB -0.334 62.842 63.200 -0.039 0.000 0.844 158 S HN 0.707 nan 8.310 nan 0.000 0.459 159 E N 0.286 120.414 120.200 -0.119 0.000 2.051 159 E HA -0.140 4.210 4.350 0.000 0.000 0.192 159 E C 2.037 178.399 176.600 -0.397 0.000 0.991 159 E CA 1.524 57.758 56.400 -0.277 0.000 0.799 159 E CB -0.280 29.299 29.700 -0.203 0.000 0.748 159 E HN 0.625 nan 8.360 nan 0.000 0.449 160 I N 1.061 121.567 120.570 -0.108 0.000 2.163 160 I HA -0.298 3.872 4.170 0.000 0.000 0.243 160 I C 2.645 178.882 176.117 0.199 0.000 1.085 160 I CA 1.102 62.463 61.300 0.102 0.000 1.347 160 I CB -0.422 37.706 38.000 0.213 0.000 1.044 160 I HN 0.218 nan 8.210 nan 0.000 0.408 161 A N 0.566 123.463 122.820 0.130 0.000 1.873 161 A HA -0.314 4.006 4.320 0.000 0.000 0.218 161 A C 2.652 180.300 177.584 0.108 0.000 1.193 161 A CA 2.706 54.833 52.037 0.149 0.000 0.629 161 A CB -1.378 17.648 19.000 0.043 0.000 0.826 161 A HN 0.506 nan 8.150 nan 0.000 0.447 162 S N -0.981 114.689 115.700 -0.051 0.000 2.393 162 S HA -0.294 4.176 4.470 0.000 0.000 0.234 162 S C 1.904 176.492 174.600 -0.021 0.000 1.064 162 S CA 2.192 60.329 58.200 -0.106 0.000 1.088 162 S CB -0.821 nan 63.200 nan 0.000 0.939 162 S HN 0.580 nan 8.310 nan 0.000 0.448 163 Y N 0.099 120.434 120.300 0.059 0.000 2.114 163 Y HA 0.009 4.559 4.550 0.000 0.000 0.284 163 Y C 2.245 178.125 175.900 -0.034 0.000 1.143 163 Y CA 0.543 58.628 58.100 -0.024 0.000 1.135 163 Y CB -1.284 37.109 38.460 -0.112 0.000 0.980 163 Y HN 0.350 nan 8.280 nan 0.000 0.499 164 F N 0.609 120.664 119.950 0.176 0.000 2.120 164 F HA -0.250 4.277 4.527 0.000 0.000 0.300 164 F C 2.144 177.989 175.800 0.075 0.000 1.095 164 F CA 1.802 59.864 58.000 0.104 0.000 1.249 164 F CB -0.590 38.449 39.000 0.066 0.000 0.995 164 F HN 0.056 nan 8.300 nan 0.000 0.480 165 D N -0.357 120.187 120.400 0.240 0.000 2.144 165 D HA -0.126 4.515 4.640 0.000 0.000 0.199 165 D C 2.359 178.727 176.300 0.114 0.000 0.984 165 D CA 0.973 55.058 54.000 0.142 0.000 0.834 165 D CB -0.332 40.522 40.800 0.090 0.000 0.955 165 D HN 0.211 nan 8.370 nan 0.000 0.465 166 R N 0.557 121.127 120.500 0.117 0.000 2.081 166 R HA -0.058 4.282 4.340 0.000 0.000 0.235 166 R C 2.287 178.638 176.300 0.085 0.000 1.131 166 R CA 1.364 57.522 56.100 0.096 0.000 0.960 166 R CB -0.230 30.139 30.300 0.115 0.000 0.856 166 R HN 0.101 nan 8.270 nan 0.000 0.436 167 A N 0.894 123.771 122.820 0.095 0.000 1.858 167 A HA -0.227 4.093 4.320 0.000 0.000 0.216 167 A C 2.724 180.366 177.584 0.098 0.000 1.190 167 A CA 1.860 53.946 52.037 0.082 0.000 0.617 167 A CB -1.473 17.574 19.000 0.079 0.000 0.827 167 A HN 0.708 nan 8.150 nan 0.000 0.443 168 C N -0.392 118.978 119.300 0.116 0.000 2.398 168 C HA 0.145 4.605 4.460 0.000 0.000 0.276 168 C C 3.053 178.089 174.990 0.076 0.000 1.222 168 C CA 2.623 61.699 59.018 0.096 0.000 1.746 168 C CB -1.406 26.390 27.740 0.093 0.000 2.039 168 C HN 0.718 nan 8.230 nan 0.000 0.470 169 A N 0.203 123.065 122.820 0.070 0.000 1.972 169 A HA 0.241 4.561 4.320 0.000 0.000 0.219 169 A C 2.549 180.166 177.584 0.056 0.000 1.169 169 A CA 2.354 54.425 52.037 0.056 0.000 0.635 169 A CB -0.894 18.136 19.000 0.050 0.000 0.810 169 A HN 1.434 nan 8.150 nan 0.000 0.446 170 A N -0.481 122.375 122.820 0.060 0.000 2.168 170 A HA 0.190 4.510 4.320 0.000 0.000 0.215 170 A C 1.841 179.467 177.584 0.069 0.000 1.152 170 A CA 1.678 53.745 52.037 0.050 0.000 0.716 170 A CB -0.565 18.456 19.000 0.035 0.000 0.794 170 A HN 1.180 nan 8.150 nan 0.000 0.465 171 V N -4.995 114.978 119.914 0.098 0.000 3.548 171 V HA 0.250 4.370 4.120 0.000 0.000 0.279 171 V C 0.944 177.100 176.094 0.105 0.000 1.446 171 V CA 0.307 62.696 62.300 0.148 0.000 1.023 171 V CB -0.400 31.561 31.823 0.231 0.000 0.820 171 V HN 0.164 nan 8.190 nan 0.000 0.438 172 S N 0.000 115.743 115.700 0.071 0.000 2.498 172 S HA 0.000 4.470 4.470 0.000 0.000 0.327 172 S CA 0.000 58.230 58.200 0.049 0.000 1.107 172 S CB 0.000 63.224 63.200 0.040 0.000 0.593 172 S HN 0.000 nan 8.310 nan 0.000 0.517