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 2uun_1_R DATA FIRST_RESID 1 DATA SEQUENCE MFDAFTKVAA QADTRGEMVS VAQIDALSQM VAEANKRLDA VNRITANAST DATA SEQUENCE VVSNAARALF AEQPQLIAPG GNAYASDRMA ACLRDMEIIL RYVTYAVFAG DATA SEQUENCE DASALEDRCL NGLRETYSAL GTPGSSVAVG VGKMKEAALA IVNDPAGITP DATA SEQUENCE GDCSALASEI AGYFDRAAAA 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 0.000 176.039 176.300 -0.436 0.000 1.140 1 M CA 0.000 55.065 55.300 -0.392 0.000 0.988 1 M CB 0.000 32.509 32.600 -0.151 0.000 1.302 2 F N 1.116 121.079 119.950 0.022 0.000 2.480 2 F HA 0.673 5.200 4.527 0.000 0.000 0.329 2 F C 0.069 175.889 175.800 0.034 0.000 1.091 2 F CA -0.320 57.699 58.000 0.030 0.000 0.972 2 F CB 1.362 40.377 39.000 0.026 0.000 1.150 2 F HN 0.777 nan 8.300 nan 0.000 0.467 3 D N 0.629 121.172 120.400 0.239 0.000 2.478 3 D HA 0.532 5.172 4.640 0.000 0.000 0.263 3 D C 1.008 177.357 176.300 0.082 0.000 1.153 3 D CA -0.484 53.604 54.000 0.147 0.000 1.038 3 D CB 0.656 41.546 40.800 0.151 0.000 1.120 3 D HN 0.524 nan 8.370 nan 0.000 0.564 4 A N -0.378 122.396 122.820 -0.077 0.000 1.903 4 A HA -0.184 4.136 4.320 0.000 0.000 0.219 4 A C 1.933 179.379 177.584 -0.229 0.000 1.191 4 A CA 1.519 53.425 52.037 -0.217 0.000 0.638 4 A CB -1.237 17.519 19.000 -0.406 0.000 0.823 4 A HN 0.568 nan 8.150 nan 0.000 0.451 5 F N -0.260 119.698 119.950 0.014 0.000 2.051 5 F HA -0.124 4.403 4.527 0.000 0.000 0.296 5 F C 2.841 178.646 175.800 0.009 0.000 1.122 5 F CA 1.772 59.775 58.000 0.006 0.000 1.201 5 F CB -1.336 37.669 39.000 0.008 0.000 0.978 5 F HN 0.098 nan 8.300 nan 0.000 0.472 6 T N -0.471 114.239 114.554 0.260 0.000 2.881 6 T HA -0.191 4.159 4.350 0.000 0.000 0.270 6 T C 1.971 176.715 174.700 0.074 0.000 1.068 6 T CA 1.389 63.614 62.100 0.208 0.000 1.131 6 T CB -0.216 68.819 68.868 0.278 0.000 0.871 6 T HN -0.004 nan 8.240 nan 0.000 0.479 7 K N 1.213 121.600 120.400 -0.022 0.000 2.026 7 K HA -0.030 4.290 4.320 0.000 0.000 0.208 7 K C 1.951 178.385 176.600 -0.276 0.000 1.048 7 K CA 1.423 57.496 56.287 -0.357 0.000 0.929 7 K CB -0.852 31.535 32.500 -0.188 0.000 0.713 7 K HN 0.207 nan 8.250 nan 0.000 0.439 8 V N 1.026 120.870 119.914 -0.117 0.000 2.307 8 V HA -0.178 3.942 4.120 0.000 0.000 0.245 8 V C 2.407 178.468 176.094 -0.055 0.000 1.045 8 V CA 1.860 64.114 62.300 -0.077 0.000 1.024 8 V CB -1.053 30.754 31.823 -0.027 0.000 0.651 8 V HN 0.486 nan 8.190 nan 0.000 0.449 9 A N 0.322 123.137 122.820 -0.008 0.000 1.917 9 A HA -0.237 4.083 4.320 0.000 0.000 0.219 9 A C 2.462 180.028 177.584 -0.031 0.000 1.182 9 A CA 2.462 54.502 52.037 0.006 0.000 0.633 9 A CB -0.941 18.087 19.000 0.046 0.000 0.819 9 A HN 0.614 nan 8.150 nan 0.000 0.448 10 A N -0.888 121.876 122.820 -0.093 0.000 1.892 10 A HA -0.291 4.029 4.320 0.000 0.000 0.218 10 A C 2.129 179.649 177.584 -0.106 0.000 1.188 10 A CA 2.001 53.962 52.037 -0.125 0.000 0.631 10 A CB -0.617 18.158 19.000 -0.375 0.000 0.822 10 A HN 0.679 nan 8.150 nan 0.000 0.447 11 Q N -1.111 118.609 119.800 -0.135 0.000 2.187 11 Q HA 0.095 4.435 4.340 0.000 0.000 0.199 11 Q C 2.363 178.333 176.000 -0.051 0.000 0.957 11 Q CA 1.018 56.765 55.803 -0.093 0.000 0.857 11 Q CB -0.299 28.378 28.738 -0.102 0.000 0.929 11 Q HN 0.690 nan 8.270 nan 0.000 0.453 12 A N 1.018 123.814 122.820 -0.041 0.000 1.930 12 A HA -0.231 4.089 4.320 0.000 0.000 0.217 12 A C 1.661 179.238 177.584 -0.013 0.000 1.175 12 A CA 1.791 53.816 52.037 -0.021 0.000 0.627 12 A CB -0.479 18.513 19.000 -0.012 0.000 0.815 12 A HN 0.368 nan 8.150 nan 0.000 0.443 13 D N -0.606 119.787 120.400 -0.011 0.000 2.144 13 D HA -0.149 4.491 4.640 0.000 0.000 0.200 13 D C 2.110 178.410 176.300 -0.000 0.000 0.978 13 D CA 2.116 56.116 54.000 0.000 0.000 0.833 13 D CB -0.149 40.657 40.800 0.010 0.000 0.961 13 D HN 0.453 nan 8.370 nan 0.000 0.470 14 T N -2.187 112.363 114.554 -0.006 0.000 3.007 14 T HA -0.057 4.293 4.350 0.000 0.000 0.270 14 T C 1.682 176.379 174.700 -0.004 0.000 1.107 14 T CA 0.532 62.631 62.100 -0.002 0.000 1.118 14 T CB -0.232 68.633 68.868 -0.004 0.000 0.889 14 T HN 0.113 nan 8.240 nan 0.000 0.506 15 R N 0.422 120.917 120.500 -0.007 0.000 2.334 15 R HA 0.327 4.667 4.340 0.000 0.000 0.216 15 R C 1.636 177.934 176.300 -0.003 0.000 0.905 15 R CA 0.279 56.376 56.100 -0.005 0.000 1.064 15 R CB 0.026 30.321 30.300 -0.008 0.000 1.046 15 R HN 0.498 nan 8.270 nan 0.000 0.508 16 G N 2.286 111.086 108.800 -0.001 0.000 2.305 16 G HA2 -0.309 3.651 3.960 0.000 0.000 0.287 16 G HA3 -0.309 3.651 3.960 0.000 0.000 0.287 16 G C -0.353 174.547 174.900 -0.000 0.000 1.036 16 G CA 0.492 45.592 45.100 0.001 0.000 0.887 16 G HN 0.407 nan 8.290 nan 0.000 0.505 17 E N -0.630 119.569 120.200 -0.002 0.000 2.221 17 E HA 0.600 4.950 4.350 0.000 0.000 0.268 17 E C 0.896 177.496 176.600 -0.000 0.000 0.933 17 E CA -1.009 55.391 56.400 -0.001 0.000 0.809 17 E CB 0.920 30.618 29.700 -0.003 0.000 1.190 17 E HN 0.352 nan 8.360 nan 0.000 0.406 18 M N 1.370 120.971 119.600 0.001 0.000 2.250 18 M HA 0.213 4.693 4.480 0.000 0.000 0.344 18 M C -0.075 176.227 176.300 0.003 0.000 1.150 18 M CA -0.711 54.590 55.300 0.003 0.000 1.147 18 M CB 0.577 33.178 32.600 0.003 0.000 1.498 18 M HN 0.192 nan 8.290 nan 0.000 0.461 19 V N 2.535 122.453 119.914 0.006 0.000 2.617 19 V HA -0.028 4.092 4.120 0.000 0.000 0.304 19 V C 0.902 177.000 176.094 0.007 0.000 1.040 19 V CA -0.030 62.275 62.300 0.008 0.000 1.149 19 V CB 0.701 32.535 31.823 0.019 0.000 0.914 19 V HN 1.060 nan 8.190 nan 0.000 0.487 20 S N 4.482 120.184 115.700 0.004 0.000 2.572 20 S HA 0.138 4.608 4.470 0.000 0.000 0.279 20 S C 1.292 175.896 174.600 0.006 0.000 1.341 20 S CA -0.246 57.956 58.200 0.003 0.000 1.043 20 S CB 1.427 64.627 63.200 -0.000 0.000 0.887 20 S HN 0.835 nan 8.310 nan 0.000 0.516 21 V N 1.590 121.507 119.914 0.005 0.000 2.370 21 V HA -0.216 3.904 4.120 0.000 0.000 0.252 21 V C 2.845 178.943 176.094 0.007 0.000 1.068 21 V CA 2.109 64.413 62.300 0.007 0.000 1.061 21 V CB -2.430 29.396 31.823 0.005 0.000 0.656 21 V HN 1.045 nan 8.190 nan 0.000 0.455 22 A N 1.114 123.936 122.820 0.004 0.000 1.849 22 A HA -0.327 3.993 4.320 0.000 0.000 0.217 22 A C 2.287 179.873 177.584 0.004 0.000 1.202 22 A CA 2.555 54.593 52.037 0.002 0.000 0.629 22 A CB -0.803 18.196 19.000 -0.001 0.000 0.834 22 A HN 0.721 nan 8.150 nan 0.000 0.447 23 Q N -0.471 119.332 119.800 0.004 0.000 2.124 23 Q HA -0.091 4.249 4.340 0.000 0.000 0.202 23 Q C 2.059 178.070 176.000 0.018 0.000 0.977 23 Q CA 1.470 57.276 55.803 0.005 0.000 0.850 23 Q CB -0.450 28.289 28.738 0.002 0.000 0.901 23 Q HN 0.742 nan 8.270 nan 0.000 0.429 24 I N 1.513 122.098 120.570 0.024 0.000 2.226 24 I HA -0.268 3.902 4.170 0.000 0.000 0.245 24 I C 1.553 177.692 176.117 0.037 0.000 1.100 24 I CA 1.130 62.454 61.300 0.039 0.000 1.374 24 I CB -0.367 37.653 38.000 0.032 0.000 1.057 24 I HN 0.158 nan 8.210 nan 0.000 0.413 25 D N 1.301 121.715 120.400 0.022 0.000 2.104 25 D HA -0.170 4.470 4.640 0.000 0.000 0.194 25 D C 2.281 178.590 176.300 0.014 0.000 0.994 25 D CA 1.619 55.630 54.000 0.018 0.000 0.830 25 D CB -0.336 40.470 40.800 0.010 0.000 0.959 25 D HN 0.341 nan 8.370 nan 0.000 0.452 26 A N 0.865 123.689 122.820 0.006 0.000 1.892 26 A HA -0.202 4.118 4.320 0.000 0.000 0.218 26 A C 2.426 180.003 177.584 -0.012 0.000 1.188 26 A CA 1.343 53.376 52.037 -0.007 0.000 0.631 26 A CB -0.957 18.034 19.000 -0.016 0.000 0.822 26 A HN 0.235 nan 8.150 nan 0.000 0.447 27 L N -1.163 120.064 121.223 0.006 0.000 2.017 27 L HA -0.164 4.176 4.340 0.000 0.000 0.208 27 L C 2.878 179.789 176.870 0.068 0.000 1.073 27 L CA 1.469 56.321 54.840 0.020 0.000 0.745 27 L CB -0.607 41.528 42.059 0.126 0.000 0.894 27 L HN 0.424 nan 8.230 nan 0.000 0.432 28 S N -0.835 114.910 115.700 0.076 0.000 2.392 28 S HA -0.307 4.163 4.470 0.000 0.000 0.232 28 S C 2.000 176.625 174.600 0.043 0.000 1.041 28 S CA 1.673 59.914 58.200 0.067 0.000 1.026 28 S CB -0.175 63.052 63.200 0.045 0.000 0.845 28 S HN 0.412 nan 8.310 nan 0.000 0.465 29 Q N -0.399 119.413 119.800 0.021 0.000 2.123 29 Q HA -0.035 4.305 4.340 0.000 0.000 0.199 29 Q C 2.208 178.206 176.000 -0.003 0.000 0.966 29 Q CA 0.959 56.766 55.803 0.007 0.000 0.845 29 Q CB -0.207 28.530 28.738 -0.002 0.000 0.907 29 Q HN 0.535 nan 8.270 nan 0.000 0.439 30 M N 0.214 119.802 119.600 -0.021 0.000 2.213 30 M HA -0.130 4.350 4.480 0.000 0.000 0.263 30 M C 1.790 178.076 176.300 -0.022 0.000 1.062 30 M CA 0.977 56.247 55.300 -0.051 0.000 1.105 30 M CB -0.125 32.399 32.600 -0.127 0.000 1.385 30 M HN 0.102 nan 8.290 nan 0.000 0.417 31 V N 1.037 120.970 119.914 0.031 0.000 2.307 31 V HA -0.210 3.910 4.120 0.000 0.000 0.245 31 V C 2.638 178.755 176.094 0.039 0.000 1.045 31 V CA 1.827 64.173 62.300 0.076 0.000 1.024 31 V CB -1.309 30.591 31.823 0.129 0.000 0.651 31 V HN 0.627 nan 8.190 nan 0.000 0.449 32 A N -0.753 122.085 122.820 0.029 0.000 2.178 32 A HA -0.158 4.162 4.320 0.000 0.000 0.218 32 A C 1.870 179.462 177.584 0.012 0.000 1.157 32 A CA 1.371 53.420 52.037 0.019 0.000 0.689 32 A CB -0.326 18.683 19.000 0.016 0.000 0.787 32 A HN 0.677 nan 8.150 nan 0.000 0.465 33 E N -0.794 119.410 120.200 0.007 0.000 2.501 33 E HA 0.282 4.632 4.350 0.000 0.000 0.201 33 E C 1.789 178.390 176.600 0.002 0.000 1.016 33 E CA 0.373 56.775 56.400 0.003 0.000 0.920 33 E CB 0.109 29.808 29.700 -0.002 0.000 1.023 33 E HN 0.546 nan 8.360 nan 0.000 0.474 34 A N 2.198 125.019 122.820 0.002 0.000 1.954 34 A HA -0.330 3.990 4.320 0.000 0.000 0.222 34 A C 1.871 179.456 177.584 0.002 0.000 1.199 34 A CA 2.102 54.136 52.037 -0.005 0.000 0.657 34 A CB -0.775 18.230 19.000 0.008 0.000 0.823 34 A HN 0.291 nan 8.150 nan 0.000 0.463 35 N N -0.992 117.715 118.700 0.012 0.000 2.216 35 N HA -0.110 4.630 4.740 0.000 0.000 0.183 35 N C 1.749 177.274 175.510 0.026 0.000 1.017 35 N CA 1.168 54.230 53.050 0.020 0.000 0.861 35 N CB -0.125 38.374 38.487 0.020 0.000 0.986 35 N HN 0.527 nan 8.380 nan 0.000 0.428 36 K N 1.012 121.425 120.400 0.022 0.000 2.057 36 K HA -0.147 4.173 4.320 0.000 0.000 0.207 36 K C 2.112 178.734 176.600 0.038 0.000 1.049 36 K CA 0.811 57.115 56.287 0.028 0.000 0.931 36 K CB -0.131 32.382 32.500 0.022 0.000 0.714 36 K HN 0.154 nan 8.250 nan 0.000 0.440 37 R N 1.440 121.958 120.500 0.030 0.000 2.080 37 R HA -0.122 4.218 4.340 0.000 0.000 0.236 37 R C 2.326 178.663 176.300 0.062 0.000 1.137 37 R CA 1.244 57.367 56.100 0.039 0.000 0.943 37 R CB -0.309 29.992 30.300 0.002 0.000 0.846 37 R HN 0.106 nan 8.270 nan 0.000 0.431 38 L N 0.762 122.015 121.223 0.050 0.000 2.012 38 L HA -0.238 4.102 4.340 0.000 0.000 0.210 38 L C 2.187 179.115 176.870 0.097 0.000 1.073 38 L CA 1.431 56.326 54.840 0.092 0.000 0.748 38 L CB -0.677 41.428 42.059 0.076 0.000 0.891 38 L HN 0.280 nan 8.230 nan 0.000 0.431 39 D N 0.352 120.793 120.400 0.070 0.000 2.133 39 D HA -0.261 4.379 4.640 0.000 0.000 0.192 39 D C 2.191 178.535 176.300 0.074 0.000 1.001 39 D CA 1.833 55.870 54.000 0.063 0.000 0.844 39 D CB -0.082 40.747 40.800 0.047 0.000 0.944 39 D HN 0.383 nan 8.370 nan 0.000 0.447 40 A N 0.546 123.415 122.820 0.082 0.000 1.917 40 A HA -0.171 4.149 4.320 0.000 0.000 0.219 40 A C 2.607 180.259 177.584 0.114 0.000 1.182 40 A CA 1.570 53.665 52.037 0.097 0.000 0.633 40 A CB -0.704 18.359 19.000 0.105 0.000 0.819 40 A HN 0.187 nan 8.150 nan 0.000 0.448 41 V N 0.440 120.433 119.914 0.131 0.000 2.346 41 V HA -0.185 3.935 4.120 0.000 0.000 0.244 41 V C 2.430 178.586 176.094 0.104 0.000 1.037 41 V CA 2.115 64.502 62.300 0.145 0.000 1.029 41 V CB -0.946 31.020 31.823 0.238 0.000 0.663 41 V HN 0.757 nan 8.190 nan 0.000 0.454 42 N N 0.502 119.261 118.700 0.098 0.000 2.104 42 N HA -0.193 4.547 4.740 0.000 0.000 0.190 42 N C 1.958 177.501 175.510 0.054 0.000 1.024 42 N CA 1.723 54.815 53.050 0.070 0.000 0.853 42 N CB -0.176 38.350 38.487 0.066 0.000 1.008 42 N HN 0.352 nan 8.380 nan 0.000 0.424 43 R N -0.350 120.185 120.500 0.059 0.000 2.073 43 R HA 0.089 4.429 4.340 0.000 0.000 0.229 43 R C 2.224 178.555 176.300 0.052 0.000 1.120 43 R CA 1.201 57.330 56.100 0.049 0.000 0.967 43 R CB -0.225 30.105 30.300 0.049 0.000 0.862 43 R HN 0.337 nan 8.270 nan 0.000 0.436 44 I N 0.054 120.666 120.570 0.069 0.000 2.202 44 I HA -0.238 3.932 4.170 0.000 0.000 0.242 44 I C 2.053 178.201 176.117 0.052 0.000 1.091 44 I CA 1.340 62.688 61.300 0.078 0.000 1.368 44 I CB -0.464 37.610 38.000 0.123 0.000 1.058 44 I HN 0.172 nan 8.210 nan 0.000 0.410 45 T N 1.074 115.651 114.554 0.039 0.000 2.652 45 T HA -0.188 4.162 4.350 0.000 0.000 0.267 45 T C 1.935 176.643 174.700 0.012 0.000 1.039 45 T CA 1.568 63.676 62.100 0.013 0.000 1.153 45 T CB -0.426 68.446 68.868 0.007 0.000 0.863 45 T HN 0.473 nan 8.240 nan 0.000 0.428 46 A N 1.122 123.954 122.820 0.020 0.000 2.259 46 A HA 0.004 4.324 4.320 0.000 0.000 0.212 46 A C 1.487 179.079 177.584 0.015 0.000 1.178 46 A CA 1.007 53.053 52.037 0.016 0.000 0.734 46 A CB -0.527 18.485 19.000 0.020 0.000 0.774 46 A HN 0.609 nan 8.150 nan 0.000 0.481 47 N N -1.673 117.037 118.700 0.018 0.000 2.305 47 N HA 0.376 5.116 4.740 0.000 0.000 0.248 47 N C 1.166 176.685 175.510 0.016 0.000 1.290 47 N CA 0.416 53.475 53.050 0.016 0.000 0.873 47 N CB 0.625 39.123 38.487 0.018 0.000 1.261 47 N HN 0.285 nan 8.380 nan 0.000 0.504 48 A N 0.551 123.378 122.820 0.012 0.000 1.883 48 A HA -0.211 4.109 4.320 0.000 0.000 0.217 48 A C 2.195 179.784 177.584 0.008 0.000 1.186 48 A CA 2.250 54.293 52.037 0.010 0.000 0.624 48 A CB -0.646 18.349 19.000 -0.008 0.000 0.822 48 A HN 0.396 nan 8.150 nan 0.000 0.444 49 S N -1.719 113.984 115.700 0.005 0.000 2.461 49 S HA -0.063 4.407 4.470 0.000 0.000 0.228 49 S C 1.776 176.380 174.600 0.007 0.000 1.005 49 S CA 1.384 59.588 58.200 0.006 0.000 0.942 49 S CB -0.727 62.476 63.200 0.005 0.000 0.776 49 S HN 0.483 nan 8.310 nan 0.000 0.514 50 T N 2.809 117.366 114.554 0.006 0.000 2.701 50 T HA -0.034 4.316 4.350 0.000 0.000 0.263 50 T C 1.938 176.638 174.700 -0.000 0.000 1.040 50 T CA 1.452 63.554 62.100 0.003 0.000 1.147 50 T CB -0.634 68.236 68.868 0.003 0.000 0.865 50 T HN 0.245 nan 8.240 nan 0.000 0.426 51 V N 1.427 121.343 119.914 0.004 0.000 2.233 51 V HA -0.227 3.893 4.120 0.000 0.000 0.252 51 V C 2.627 178.720 176.094 -0.002 0.000 1.063 51 V CA 1.870 64.172 62.300 0.003 0.000 1.032 51 V CB -0.897 30.942 31.823 0.027 0.000 0.645 51 V HN 0.316 nan 8.190 nan 0.000 0.446 52 V N 0.736 120.654 119.914 0.007 0.000 2.223 52 V HA -0.255 3.865 4.120 0.000 0.000 0.244 52 V C 2.722 178.808 176.094 -0.014 0.000 1.045 52 V CA 2.503 64.804 62.300 0.002 0.000 1.000 52 V CB -1.063 30.768 31.823 0.013 0.000 0.635 52 V HN 0.776 nan 8.190 nan 0.000 0.445 53 S N 0.746 116.445 115.700 -0.001 0.000 2.368 53 S HA -0.251 4.219 4.470 0.000 0.000 0.225 53 S C 1.824 176.414 174.600 -0.016 0.000 1.030 53 S CA 1.789 59.991 58.200 0.004 0.000 0.999 53 S CB -0.756 62.454 63.200 0.018 0.000 0.844 53 S HN 0.595 nan 8.310 nan 0.000 0.459 54 N N 2.811 121.498 118.700 -0.021 0.000 2.120 54 N HA 0.036 4.776 4.740 0.000 0.000 0.188 54 N C 2.041 177.510 175.510 -0.068 0.000 1.024 54 N CA 1.615 54.645 53.050 -0.033 0.000 0.852 54 N CB -1.086 37.384 38.487 -0.028 0.000 1.003 54 N HN 0.635 nan 8.380 nan 0.000 0.424 55 A N 0.965 123.737 122.820 -0.079 0.000 1.902 55 A HA 0.028 4.348 4.320 0.000 0.000 0.217 55 A C 2.377 179.834 177.584 -0.212 0.000 1.181 55 A CA 1.952 53.920 52.037 -0.115 0.000 0.623 55 A CB -0.854 18.094 19.000 -0.086 0.000 0.818 55 A HN 0.322 nan 8.150 nan 0.000 0.443 56 A N -0.190 122.490 122.820 -0.232 0.000 1.877 56 A HA -0.185 4.135 4.320 0.000 0.000 0.216 56 A C 2.256 179.470 177.584 -0.615 0.000 1.186 56 A CA 1.875 53.619 52.037 -0.488 0.000 0.620 56 A CB -0.527 18.342 19.000 -0.219 0.000 0.822 56 A HN 0.581 nan 8.150 nan 0.000 0.443 57 R N -0.369 120.013 120.500 -0.197 0.000 2.070 57 R HA -0.110 4.230 4.340 0.000 0.000 0.233 57 R C 2.335 178.584 176.300 -0.084 0.000 1.137 57 R CA 1.643 57.716 56.100 -0.044 0.000 0.945 57 R CB -0.515 29.797 30.300 0.021 0.000 0.845 57 R HN 0.409 nan 8.270 nan 0.000 0.430 58 A N 1.331 124.086 122.820 -0.109 0.000 1.892 58 A HA -0.211 4.109 4.320 0.000 0.000 0.218 58 A C 2.082 179.596 177.584 -0.116 0.000 1.188 58 A CA 1.621 53.606 52.037 -0.087 0.000 0.631 58 A CB -0.790 18.162 19.000 -0.080 0.000 0.822 58 A HN 0.437 nan 8.150 nan 0.000 0.447 59 L N -1.321 119.758 121.223 -0.241 0.000 2.012 59 L HA -0.122 4.218 4.340 0.000 0.000 0.210 59 L C 2.118 178.913 176.870 -0.124 0.000 1.073 59 L CA 2.131 56.820 54.840 -0.252 0.000 0.748 59 L CB -0.857 40.948 42.059 -0.424 0.000 0.891 59 L HN 0.336 nan 8.230 nan 0.000 0.431 60 F N -0.103 119.847 119.950 -0.000 0.000 2.325 60 F HA 0.085 4.612 4.527 0.000 0.000 0.299 60 F C 2.501 178.302 175.800 0.002 0.000 1.090 60 F CA 0.616 58.617 58.000 0.003 0.000 1.392 60 F CB -1.624 37.382 39.000 0.008 0.000 1.053 60 F HN 0.202 nan 8.300 nan 0.000 0.521 61 A N -0.289 122.622 122.820 0.152 0.000 1.930 61 A HA -0.182 4.138 4.320 0.000 0.000 0.217 61 A C 2.170 179.789 177.584 0.058 0.000 1.175 61 A CA 1.638 53.729 52.037 0.089 0.000 0.627 61 A CB -0.725 18.305 19.000 0.051 0.000 0.815 61 A HN 0.370 nan 8.150 nan 0.000 0.443 62 E N -0.803 119.420 120.200 0.039 0.000 2.216 62 E HA -0.056 4.294 4.350 0.000 0.000 0.192 62 E C 0.541 177.162 176.600 0.035 0.000 0.988 62 E CA 0.607 57.020 56.400 0.021 0.000 0.834 62 E CB 0.077 29.775 29.700 -0.003 0.000 0.772 62 E HN 0.656 nan 8.360 nan 0.000 0.479 63 Q N -0.479 119.363 119.800 0.069 0.000 3.075 63 Q HA 0.151 4.491 4.340 0.000 0.000 0.318 63 Q C -2.211 173.849 176.000 0.100 0.000 0.907 63 Q CA -1.523 54.326 55.803 0.077 0.000 0.882 63 Q CB 1.564 30.347 28.738 0.075 0.000 1.386 63 Q HN 0.142 nan 8.270 nan 0.000 0.408 64 P HA -0.229 nan 4.420 nan 0.000 0.220 64 P C 1.380 178.695 177.300 0.025 0.000 1.148 64 P CA 1.054 64.186 63.100 0.052 0.000 0.803 64 P CB 0.245 31.961 31.700 0.027 0.000 0.782 65 Q N 0.246 120.059 119.800 0.022 0.000 2.297 65 Q HA -0.143 4.197 4.340 0.000 0.000 0.208 65 Q C 1.843 177.847 176.000 0.007 0.000 0.981 65 Q CA 1.400 57.204 55.803 0.002 0.000 0.876 65 Q CB -1.518 27.221 28.738 0.002 0.000 0.921 65 Q HN 0.309 nan 8.270 nan 0.000 0.446 66 L N 0.702 121.949 121.223 0.040 0.000 2.141 66 L HA -0.056 4.284 4.340 0.000 0.000 0.209 66 L C 2.393 179.250 176.870 -0.021 0.000 1.094 66 L CA 1.365 56.232 54.840 0.046 0.000 0.763 66 L CB -0.312 41.839 42.059 0.154 0.000 0.908 66 L HN 0.326 nan 8.230 nan 0.000 0.437 67 I N -4.150 116.383 120.570 -0.062 0.000 4.139 67 I HA 0.365 4.535 4.170 0.000 0.000 0.335 67 I C 1.072 177.162 176.117 -0.044 0.000 1.327 67 I CA -0.504 60.735 61.300 -0.101 0.000 1.112 67 I CB -0.012 37.829 38.000 -0.265 0.000 1.058 67 I HN -0.079 nan 8.210 nan 0.000 0.396 68 A N 2.942 125.717 122.820 -0.075 0.000 2.498 68 A HA 0.405 4.725 4.320 0.000 0.000 0.239 68 A C -2.279 175.105 177.584 -0.334 0.000 1.068 68 A CA -0.801 51.145 52.037 -0.152 0.000 0.766 68 A CB -0.759 18.174 19.000 -0.111 0.000 1.003 68 A HN 0.141 nan 8.150 nan 0.000 0.497 69 P HA 0.230 nan 4.420 nan 0.000 0.265 69 P C 1.157 178.131 177.300 -0.544 0.000 1.187 69 P CA 1.828 64.158 63.100 -1.283 0.000 0.766 69 P CB 0.623 31.713 31.700 -1.017 0.000 0.820 70 G N 1.349 109.950 108.800 -0.332 0.000 2.284 70 G HA2 -0.168 3.792 3.960 0.000 0.000 0.230 70 G HA3 -0.168 3.792 3.960 0.000 0.000 0.230 70 G C 0.642 175.539 174.900 -0.005 0.000 1.021 70 G CA -0.099 44.952 45.100 -0.081 0.000 0.619 70 G HN 0.898 nan 8.290 nan 0.000 0.510 71 G N -0.447 108.345 108.800 -0.012 0.000 2.572 71 G HA2 0.433 4.393 3.960 0.000 0.000 0.261 71 G HA3 0.433 4.393 3.960 0.000 0.000 0.261 71 G C 0.787 175.728 174.900 0.068 0.000 1.197 71 G CA 0.523 45.638 45.100 0.025 0.000 0.870 71 G HN 0.313 nan 8.290 nan 0.000 0.548 72 N N 0.247 118.973 118.700 0.043 0.000 2.381 72 N HA -0.086 4.654 4.740 0.000 0.000 0.182 72 N C 1.806 177.337 175.510 0.034 0.000 1.025 72 N CA 0.809 53.883 53.050 0.039 0.000 0.888 72 N CB 0.043 38.541 38.487 0.018 0.000 0.965 72 N HN 0.438 nan 8.380 nan 0.000 0.438 73 A N -0.188 122.644 122.820 0.020 0.000 2.462 73 A HA 0.071 4.391 4.320 0.000 0.000 0.261 73 A C -0.159 177.391 177.584 -0.056 0.000 1.323 73 A CA -0.463 51.552 52.037 -0.036 0.000 0.913 73 A CB -0.351 18.584 19.000 -0.109 0.000 1.028 73 A HN 0.418 nan 8.150 nan 0.000 0.511 74 Y N 0.743 120.982 120.300 -0.102 0.000 2.320 74 Y HA 0.481 5.031 4.550 0.000 0.000 0.324 74 Y C 0.119 175.981 175.900 -0.063 0.000 1.190 74 Y CA -0.464 57.579 58.100 -0.095 0.000 1.215 74 Y CB 0.758 39.173 38.460 -0.075 0.000 1.221 74 Y HN 1.006 nan 8.280 nan 0.000 0.486 75 A N 3.033 125.290 122.820 -0.939 0.000 2.435 75 A HA -0.076 4.244 4.320 0.000 0.000 0.686 75 A C 0.790 178.183 177.584 -0.319 0.000 0.138 75 A CA 0.112 51.763 52.037 -0.643 0.000 0.024 75 A CB -1.844 16.919 19.000 -0.394 0.000 3.974 75 A HN 0.986 nan 8.150 nan 0.000 0.548 76 S N 0.814 116.372 115.700 -0.237 0.000 2.372 76 S HA -0.255 4.215 4.470 0.000 0.000 0.227 76 S C 1.582 176.127 174.600 -0.092 0.000 1.044 76 S CA 2.278 60.398 58.200 -0.133 0.000 1.050 76 S CB -0.408 62.732 63.200 -0.100 0.000 0.901 76 S HN 1.131 nan 8.310 nan 0.000 0.447 77 D N 0.567 120.914 120.400 -0.089 0.000 2.157 77 D HA -0.184 4.456 4.640 0.000 0.000 0.191 77 D C 2.233 178.509 176.300 -0.040 0.000 1.004 77 D CA 1.531 55.499 54.000 -0.053 0.000 0.854 77 D CB 0.043 40.811 40.800 -0.053 0.000 0.936 77 D HN 0.287 nan 8.370 nan 0.000 0.446 78 R N -1.077 119.386 120.500 -0.061 0.000 2.066 78 R HA -0.000 4.340 4.340 0.000 0.000 0.224 78 R C 2.310 178.599 176.300 -0.018 0.000 1.122 78 R CA 0.975 57.057 56.100 -0.030 0.000 0.974 78 R CB -0.452 29.828 30.300 -0.033 0.000 0.871 78 R HN 0.266 nan 8.270 nan 0.000 0.435 79 M N 1.313 120.880 119.600 -0.055 0.000 2.089 79 M HA -0.215 4.265 4.480 0.000 0.000 0.257 79 M C 2.111 178.424 176.300 0.023 0.000 1.071 79 M CA 2.124 57.403 55.300 -0.036 0.000 1.096 79 M CB -0.398 32.149 32.600 -0.088 0.000 1.330 79 M HN 0.169 nan 8.290 nan 0.000 0.403 80 A N -0.643 122.180 122.820 0.005 0.000 1.930 80 A HA 0.111 4.431 4.320 0.000 0.000 0.217 80 A C 2.359 179.966 177.584 0.039 0.000 1.175 80 A CA 1.912 53.962 52.037 0.022 0.000 0.627 80 A CB -1.398 17.605 19.000 0.005 0.000 0.815 80 A HN 0.685 nan 8.150 nan 0.000 0.443 81 A N -1.107 121.736 122.820 0.037 0.000 1.972 81 A HA -0.207 4.113 4.320 0.000 0.000 0.219 81 A C 2.376 180.010 177.584 0.083 0.000 1.169 81 A CA 1.728 53.798 52.037 0.056 0.000 0.635 81 A CB -1.303 17.730 19.000 0.055 0.000 0.810 81 A HN 0.812 nan 8.150 nan 0.000 0.446 82 C N -0.708 118.646 119.300 0.090 0.000 2.476 82 C HA 0.085 4.545 4.460 0.000 0.000 0.278 82 C C 2.575 177.638 174.990 0.121 0.000 1.274 82 C CA 0.952 60.041 59.018 0.118 0.000 1.713 82 C CB -1.476 26.359 27.740 0.159 0.000 2.039 82 C HN 0.581 nan 8.230 nan 0.000 0.484 83 L N 0.641 121.938 121.223 0.122 0.000 2.042 83 L HA -0.136 4.204 4.340 0.000 0.000 0.210 83 L C 3.081 179.993 176.870 0.070 0.000 1.076 83 L CA 1.776 56.675 54.840 0.097 0.000 0.749 83 L CB -0.892 41.223 42.059 0.093 0.000 0.893 83 L HN 0.392 nan 8.230 nan 0.000 0.432 84 R N 0.326 120.866 120.500 0.066 0.000 2.103 84 R HA -0.212 4.128 4.340 0.000 0.000 0.242 84 R C 1.757 178.098 176.300 0.068 0.000 1.142 84 R CA 2.170 58.303 56.100 0.056 0.000 0.960 84 R CB -0.239 30.093 30.300 0.053 0.000 0.858 84 R HN 0.365 nan 8.270 nan 0.000 0.439 85 D N -0.156 120.301 120.400 0.095 0.000 2.117 85 D HA -0.135 4.505 4.640 0.000 0.000 0.198 85 D C 1.988 178.351 176.300 0.105 0.000 0.982 85 D CA 0.972 55.046 54.000 0.124 0.000 0.828 85 D CB -0.080 40.836 40.800 0.193 0.000 0.967 85 D HN 0.155 nan 8.370 nan 0.000 0.464 86 M N 0.314 119.964 119.600 0.084 0.000 2.080 86 M HA -0.146 4.334 4.480 0.000 0.000 0.260 86 M C 2.147 178.480 176.300 0.055 0.000 1.068 86 M CA 1.287 56.626 55.300 0.065 0.000 1.109 86 M CB -0.865 31.759 32.600 0.039 0.000 1.342 86 M HN 0.142 nan 8.290 nan 0.000 0.405 87 E N 0.501 120.725 120.200 0.039 0.000 2.072 87 E HA -0.138 4.212 4.350 0.000 0.000 0.191 87 E C 2.054 178.644 176.600 -0.016 0.000 0.985 87 E CA 0.831 57.237 56.400 0.010 0.000 0.801 87 E CB 0.031 29.734 29.700 0.004 0.000 0.750 87 E HN 0.442 nan 8.360 nan 0.000 0.452 88 I N 0.861 121.441 120.570 0.016 0.000 2.127 88 I HA -0.323 3.847 4.170 0.000 0.000 0.241 88 I C 2.379 178.538 176.117 0.070 0.000 1.075 88 I CA 1.134 62.454 61.300 0.033 0.000 1.334 88 I CB -0.234 37.836 38.000 0.117 0.000 1.040 88 I HN 0.184 nan 8.210 nan 0.000 0.405 89 I N -0.002 120.621 120.570 0.087 0.000 2.163 89 I HA -0.326 3.844 4.170 0.000 0.000 0.243 89 I C 2.501 178.610 176.117 -0.013 0.000 1.085 89 I CA 1.362 62.707 61.300 0.075 0.000 1.347 89 I CB -0.358 37.692 38.000 0.084 0.000 1.044 89 I HN 0.238 nan 8.210 nan 0.000 0.408 90 L N 0.946 122.159 121.223 -0.018 0.000 2.046 90 L HA -0.224 4.116 4.340 0.000 0.000 0.208 90 L C 2.656 179.408 176.870 -0.196 0.000 1.077 90 L CA 1.775 56.579 54.840 -0.061 0.000 0.747 90 L CB -0.600 41.477 42.059 0.030 0.000 0.896 90 L HN 0.100 nan 8.230 nan 0.000 0.432 91 R N -1.912 118.425 120.500 -0.271 0.000 2.091 91 R HA -0.244 4.096 4.340 0.000 0.000 0.238 91 R C 2.201 177.956 176.300 -0.908 0.000 1.136 91 R CA 2.217 57.974 56.100 -0.571 0.000 0.959 91 R CB -0.482 29.447 30.300 -0.618 0.000 0.856 91 R HN 0.443 nan 8.270 nan 0.000 0.437 92 Y N -0.530 119.456 120.300 -0.524 0.000 2.395 92 Y HA -0.066 4.484 4.550 0.000 0.000 0.293 92 Y C 2.203 177.916 175.900 -0.311 0.000 1.123 92 Y CA 0.723 58.572 58.100 -0.419 0.000 1.227 92 Y CB -0.033 38.313 38.460 -0.190 0.000 1.012 92 Y HN -0.122 nan 8.280 nan 0.000 0.552 93 V N -0.109 119.683 119.914 -0.203 0.000 2.287 93 V HA -0.360 3.760 4.120 0.000 0.000 0.248 93 V C 2.589 178.538 176.094 -0.242 0.000 1.053 93 V CA 2.568 64.674 62.300 -0.324 0.000 1.027 93 V CB -1.307 30.100 31.823 -0.692 0.000 0.646 93 V HN 0.624 nan 8.190 nan 0.000 0.447 94 T N -2.008 112.415 114.554 -0.218 0.000 2.788 94 T HA -0.257 4.093 4.350 0.000 0.000 0.268 94 T C 1.856 176.587 174.700 0.052 0.000 1.044 94 T CA 1.712 63.763 62.100 -0.082 0.000 1.139 94 T CB -0.528 68.293 68.868 -0.079 0.000 0.867 94 T HN 0.396 nan 8.240 nan 0.000 0.454 95 Y N 2.355 122.597 120.300 -0.096 0.000 2.128 95 Y HA 0.093 4.643 4.550 0.000 0.000 0.284 95 Y C 3.214 179.093 175.900 -0.035 0.000 1.154 95 Y CA 0.175 58.240 58.100 -0.059 0.000 1.149 95 Y CB -1.634 36.789 38.460 -0.062 0.000 0.976 95 Y HN 0.386 nan 8.280 nan 0.000 0.505 96 A N -0.007 122.795 122.820 -0.030 0.000 1.873 96 A HA -0.188 4.132 4.320 0.000 0.000 0.218 96 A C 2.567 179.938 177.584 -0.354 0.000 1.193 96 A CA 2.395 54.196 52.037 -0.393 0.000 0.629 96 A CB -1.310 17.113 19.000 -0.962 0.000 0.826 96 A HN 0.240 nan 8.150 nan 0.000 0.447 97 V N -1.254 118.559 119.914 -0.168 0.000 2.282 97 V HA -0.307 3.813 4.120 0.000 0.000 0.249 97 V C 2.321 178.511 176.094 0.161 0.000 1.057 97 V CA 2.424 64.816 62.300 0.153 0.000 1.032 97 V CB -0.977 30.967 31.823 0.202 0.000 0.645 97 V HN 0.649 nan 8.190 nan 0.000 0.447 98 F N 1.071 121.041 119.950 0.034 0.000 2.186 98 F HA -0.052 4.475 4.527 0.000 0.000 0.299 98 F C 2.160 177.981 175.800 0.034 0.000 1.090 98 F CA 1.478 59.506 58.000 0.046 0.000 1.307 98 F CB -0.231 38.804 39.000 0.058 0.000 1.019 98 F HN 0.072 nan 8.300 nan 0.000 0.489 99 A N -0.281 122.636 122.820 0.160 0.000 2.132 99 A HA 0.325 4.645 4.320 0.000 0.000 0.213 99 A C 1.801 179.379 177.584 -0.009 0.000 1.154 99 A CA 0.704 52.782 52.037 0.069 0.000 0.753 99 A CB -1.235 17.844 19.000 0.132 0.000 0.826 99 A HN 0.920 nan 8.150 nan 0.000 0.469 100 G N -0.687 108.122 108.800 0.015 0.000 2.221 100 G HA2 -0.203 3.757 3.960 0.000 0.000 0.265 100 G HA3 -0.203 3.757 3.960 0.000 0.000 0.265 100 G C -0.273 174.681 174.900 0.090 0.000 1.041 100 G CA 0.679 45.810 45.100 0.052 0.000 0.807 100 G HN 0.771 nan 8.290 nan 0.000 0.502 101 D N -2.142 118.306 120.400 0.080 0.000 2.886 101 D HA 0.653 5.293 4.640 0.000 0.000 0.216 101 D C 0.823 177.142 176.300 0.033 0.000 1.256 101 D CA 0.377 54.444 54.000 0.112 0.000 0.844 101 D CB 0.686 41.558 40.800 0.121 0.000 1.669 101 D HN 0.484 nan 8.370 nan 0.000 0.513 102 A N 1.900 124.804 122.820 0.140 0.000 2.168 102 A HA -0.018 4.302 4.320 0.000 0.000 0.215 102 A C 1.938 179.538 177.584 0.028 0.000 1.152 102 A CA 1.478 53.555 52.037 0.066 0.000 0.716 102 A CB -0.620 18.530 19.000 0.250 0.000 0.794 102 A HN 0.570 nan 8.150 nan 0.000 0.465 103 S N 0.686 116.429 115.700 0.072 0.000 2.359 103 S HA -0.131 4.339 4.470 0.000 0.000 0.224 103 S C 2.128 176.723 174.600 -0.008 0.000 1.035 103 S CA 1.340 59.570 58.200 0.050 0.000 1.018 103 S CB -0.906 62.346 63.200 0.086 0.000 0.876 103 S HN 0.941 nan 8.310 nan 0.000 0.448 104 A N 2.028 124.852 122.820 0.007 0.000 1.927 104 A HA -0.071 4.249 4.320 0.000 0.000 0.220 104 A C 2.292 179.889 177.584 0.021 0.000 1.185 104 A CA 1.927 53.996 52.037 0.053 0.000 0.639 104 A CB -0.952 18.134 19.000 0.144 0.000 0.820 104 A HN 0.591 nan 8.150 nan 0.000 0.451 105 L N -0.734 120.485 121.223 -0.007 0.000 2.044 105 L HA -0.065 4.275 4.340 0.000 0.000 0.205 105 L C 2.223 179.019 176.870 -0.125 0.000 1.075 105 L CA 2.249 57.040 54.840 -0.082 0.000 0.747 105 L CB -0.628 41.391 42.059 -0.067 0.000 0.903 105 L HN 0.321 nan 8.230 nan 0.000 0.435 106 E N 0.419 120.583 120.200 -0.060 0.000 2.023 106 E HA -0.220 4.130 4.350 0.000 0.000 0.196 106 E C 1.921 178.467 176.600 -0.090 0.000 1.003 106 E CA 1.800 58.170 56.400 -0.050 0.000 0.809 106 E CB -0.453 29.247 29.700 0.001 0.000 0.755 106 E HN 0.608 nan 8.360 nan 0.000 0.449 107 D N -0.006 120.340 120.400 -0.091 0.000 2.103 107 D HA -0.073 4.567 4.640 0.000 0.000 0.199 107 D C 1.832 178.044 176.300 -0.146 0.000 0.978 107 D CA 0.833 54.773 54.000 -0.100 0.000 0.829 107 D CB -0.194 40.551 40.800 -0.091 0.000 0.981 107 D HN 0.125 nan 8.370 nan 0.000 0.464 108 R N -0.652 119.720 120.500 -0.213 0.000 2.317 108 R HA 0.190 4.530 4.340 0.000 0.000 0.208 108 R C 1.370 177.380 176.300 -0.484 0.000 0.914 108 R CA 0.021 55.953 56.100 -0.280 0.000 1.060 108 R CB 0.469 30.656 30.300 -0.189 0.000 1.015 108 R HN 0.218 nan 8.270 nan 0.000 0.498 109 C N -1.143 117.859 119.300 -0.496 0.000 2.947 109 C HA 0.265 4.725 4.460 0.000 0.000 0.453 109 C C 1.987 176.825 174.990 -0.253 0.000 1.467 109 C CA -0.221 58.497 59.018 -0.500 0.000 2.442 109 C CB -0.273 26.975 27.740 -0.819 0.000 2.794 109 C HN 0.329 nan 8.230 nan 0.000 0.543 110 L N 1.963 123.069 121.223 -0.195 0.000 2.179 110 L HA 0.082 4.422 4.340 0.000 0.000 0.208 110 L C 0.619 177.429 176.870 -0.101 0.000 1.096 110 L CA 0.903 55.675 54.840 -0.113 0.000 0.779 110 L CB -0.777 41.242 42.059 -0.067 0.000 0.922 110 L HN 0.504 nan 8.230 nan 0.000 0.443 111 N N 0.759 119.396 118.700 -0.105 0.000 2.431 111 N HA 0.183 4.923 4.740 0.000 0.000 0.265 111 N C 0.860 176.319 175.510 -0.086 0.000 1.184 111 N CA 1.067 54.071 53.050 -0.078 0.000 0.943 111 N CB 0.830 39.275 38.487 -0.069 0.000 1.080 111 N HN 0.319 nan 8.380 nan 0.000 0.477 112 G N 2.608 111.365 108.800 -0.072 0.000 2.199 112 G HA2 -0.313 3.647 3.960 0.000 0.000 0.254 112 G HA3 -0.313 3.647 3.960 0.000 0.000 0.254 112 G C 0.711 175.543 174.900 -0.113 0.000 0.982 112 G CA 0.366 45.420 45.100 -0.076 0.000 0.632 112 G HN 0.575 nan 8.290 nan 0.000 0.529 113 L N 1.358 122.493 121.223 -0.147 0.000 1.994 113 L HA 0.130 4.470 4.340 0.000 0.000 0.208 113 L C 2.806 179.530 176.870 -0.243 0.000 1.071 113 L CA 3.138 57.820 54.840 -0.263 0.000 0.745 113 L CB -0.816 41.094 42.059 -0.249 0.000 0.892 113 L HN 0.498 nan 8.230 nan 0.000 0.431 114 R N -0.276 120.176 120.500 -0.080 0.000 2.113 114 R HA -0.228 4.112 4.340 0.000 0.000 0.244 114 R C 2.042 178.353 176.300 0.020 0.000 1.142 114 R CA 2.124 58.237 56.100 0.021 0.000 0.953 114 R CB -0.460 29.860 30.300 0.033 0.000 0.860 114 R HN 0.625 nan 8.270 nan 0.000 0.438 115 E N -0.031 120.159 120.200 -0.018 0.000 2.077 115 E HA -0.152 4.198 4.350 0.000 0.000 0.193 115 E C 1.909 178.499 176.600 -0.018 0.000 0.989 115 E CA 1.848 58.242 56.400 -0.010 0.000 0.800 115 E CB -0.873 28.818 29.700 -0.015 0.000 0.746 115 E HN 0.380 nan 8.360 nan 0.000 0.452 116 T N 1.277 115.781 114.554 -0.083 0.000 2.652 116 T HA -0.169 4.181 4.350 0.000 0.000 0.267 116 T C 1.739 176.440 174.700 0.002 0.000 1.039 116 T CA 1.706 63.750 62.100 -0.093 0.000 1.153 116 T CB -0.543 68.199 68.868 -0.209 0.000 0.863 116 T HN 0.126 nan 8.240 nan 0.000 0.428 117 Y N 1.467 121.774 120.300 0.011 0.000 2.151 117 Y HA -0.125 4.425 4.550 0.000 0.000 0.284 117 Y C 3.087 178.997 175.900 0.016 0.000 1.166 117 Y CA 0.395 58.505 58.100 0.016 0.000 1.163 117 Y CB -1.241 37.230 38.460 0.019 0.000 0.974 117 Y HN 0.149 nan 8.280 nan 0.000 0.511 118 S N -0.592 115.206 115.700 0.164 0.000 2.370 118 S HA -0.216 4.254 4.470 0.000 0.000 0.226 118 S C 2.324 176.967 174.600 0.072 0.000 1.033 118 S CA 1.129 59.387 58.200 0.097 0.000 1.011 118 S CB -0.550 62.690 63.200 0.066 0.000 0.852 118 S HN 0.502 nan 8.310 nan 0.000 0.457 119 A N 0.581 123.437 122.820 0.061 0.000 1.933 119 A HA 0.038 4.358 4.320 0.000 0.000 0.218 119 A C 2.054 179.671 177.584 0.055 0.000 1.175 119 A CA 1.150 53.215 52.037 0.045 0.000 0.628 119 A CB -0.512 18.506 19.000 0.029 0.000 0.814 119 A HN 0.524 nan 8.150 nan 0.000 0.444 120 L N -1.728 119.544 121.223 0.082 0.000 2.270 120 L HA 0.174 4.514 4.340 0.000 0.000 0.210 120 L C 1.736 178.649 176.870 0.072 0.000 1.104 120 L CA 0.796 55.686 54.840 0.083 0.000 0.804 120 L CB -0.145 41.989 42.059 0.125 0.000 0.937 120 L HN 0.579 nan 8.230 nan 0.000 0.450 121 G N -0.012 108.834 108.800 0.076 0.000 2.132 121 G HA2 -0.229 3.731 3.960 0.000 0.000 0.228 121 G HA3 -0.229 3.731 3.960 0.000 0.000 0.228 121 G C 0.200 175.123 174.900 0.039 0.000 1.000 121 G CA 0.104 45.236 45.100 0.053 0.000 0.693 121 G HN 0.217 nan 8.290 nan 0.000 0.515 122 T N 2.960 117.543 114.554 0.049 0.000 2.794 122 T HA 0.490 4.840 4.350 0.000 0.000 0.296 122 T C -1.845 172.791 174.700 -0.107 0.000 0.949 122 T CA -0.573 61.492 62.100 -0.059 0.000 1.101 122 T CB 1.829 70.601 68.868 -0.161 0.000 0.905 122 T HN 0.197 nan 8.240 nan 0.000 0.516 123 P HA 0.164 nan 4.420 nan 0.000 0.268 123 P C 1.284 178.499 177.300 -0.141 0.000 1.485 123 P CA -0.194 62.858 63.100 -0.081 0.000 1.102 123 P CB 0.313 31.987 31.700 -0.043 0.000 1.501 124 G N 4.392 113.125 108.800 -0.111 0.000 2.649 124 G HA2 -0.406 3.554 3.960 0.000 0.000 0.220 124 G HA3 -0.406 3.554 3.960 0.000 0.000 0.220 124 G C 1.692 176.575 174.900 -0.028 0.000 1.189 124 G CA 1.555 46.624 45.100 -0.052 0.000 0.777 124 G HN 0.520 nan 8.290 nan 0.000 0.602 125 S N 0.173 115.870 115.700 -0.006 0.000 2.392 125 S HA -0.192 4.278 4.470 0.000 0.000 0.232 125 S C 2.404 176.995 174.600 -0.016 0.000 1.041 125 S CA 2.184 60.384 58.200 -0.000 0.000 1.026 125 S CB -0.616 62.586 63.200 0.003 0.000 0.845 125 S HN 0.309 nan 8.310 nan 0.000 0.465 126 S N 1.255 116.932 115.700 -0.038 0.000 2.355 126 S HA 0.002 4.472 4.470 0.000 0.000 0.222 126 S C 2.013 176.581 174.600 -0.053 0.000 1.031 126 S CA 1.178 59.355 58.200 -0.039 0.000 0.993 126 S CB -0.619 62.560 63.200 -0.034 0.000 0.859 126 S HN 0.466 nan 8.310 nan 0.000 0.453 127 V N 2.369 122.227 119.914 -0.093 0.000 2.332 127 V HA -0.246 3.874 4.120 0.000 0.000 0.248 127 V C 2.654 178.748 176.094 -0.000 0.000 1.055 127 V CA 1.727 63.984 62.300 -0.072 0.000 1.038 127 V CB -1.353 30.400 31.823 -0.118 0.000 0.651 127 V HN 0.535 nan 8.190 nan 0.000 0.450 128 A N -0.128 122.700 122.820 0.015 0.000 1.908 128 A HA -0.190 4.130 4.320 0.000 0.000 0.218 128 A C 2.416 180.012 177.584 0.020 0.000 1.181 128 A CA 2.280 54.339 52.037 0.038 0.000 0.627 128 A CB -0.764 18.258 19.000 0.037 0.000 0.818 128 A HN 0.354 nan 8.150 nan 0.000 0.445 129 V N -0.116 119.795 119.914 -0.005 0.000 2.343 129 V HA -0.185 3.935 4.120 0.000 0.000 0.247 129 V C 2.818 178.890 176.094 -0.035 0.000 1.051 129 V CA 1.905 64.192 62.300 -0.021 0.000 1.036 129 V CB -1.526 30.279 31.823 -0.030 0.000 0.654 129 V HN 0.633 nan 8.190 nan 0.000 0.451 130 G N 0.149 108.923 108.800 -0.044 0.000 2.514 130 G HA2 -0.253 3.707 3.960 0.000 0.000 0.217 130 G HA3 -0.253 3.707 3.960 0.000 0.000 0.217 130 G C 1.686 176.581 174.900 -0.010 0.000 1.198 130 G CA 1.427 46.492 45.100 -0.058 0.000 0.780 130 G HN 0.373 nan 8.290 nan 0.000 0.565 131 V N 1.677 121.617 119.914 0.042 0.000 2.324 131 V HA -0.147 3.973 4.120 0.000 0.000 0.250 131 V C 3.129 179.270 176.094 0.078 0.000 1.060 131 V CA 2.149 64.521 62.300 0.119 0.000 1.042 131 V CB -1.198 30.720 31.823 0.158 0.000 0.650 131 V HN 0.479 nan 8.190 nan 0.000 0.450 132 G N -0.707 108.106 108.800 0.021 0.000 2.422 132 G HA2 -0.217 3.743 3.960 0.000 0.000 0.218 132 G HA3 -0.217 3.743 3.960 0.000 0.000 0.218 132 G C 1.678 176.522 174.900 -0.093 0.000 1.140 132 G CA 0.747 45.829 45.100 -0.031 0.000 0.775 132 G HN 0.483 nan 8.290 nan 0.000 0.545 133 K N -0.462 119.892 120.400 -0.077 0.000 2.025 133 K HA 0.108 4.428 4.320 0.000 0.000 0.207 133 K C 2.631 179.156 176.600 -0.126 0.000 1.049 133 K CA 1.011 57.241 56.287 -0.096 0.000 0.933 133 K CB -0.225 32.223 32.500 -0.088 0.000 0.714 133 K HN 0.238 nan 8.250 nan 0.000 0.438 134 M N 1.074 120.612 119.600 -0.104 0.000 2.108 134 M HA -0.227 4.253 4.480 0.000 0.000 0.261 134 M C 2.309 178.372 176.300 -0.396 0.000 1.066 134 M CA 1.530 56.761 55.300 -0.116 0.000 1.107 134 M CB -0.193 32.442 32.600 0.059 0.000 1.356 134 M HN 0.051 nan 8.290 nan 0.000 0.406 135 K N 0.592 120.594 120.400 -0.664 0.000 2.074 135 K HA -0.223 4.097 4.320 0.000 0.000 0.209 135 K C 1.633 177.886 176.600 -0.578 0.000 1.048 135 K CA 1.741 57.334 56.287 -1.157 0.000 0.926 135 K CB -0.088 31.984 32.500 -0.714 0.000 0.713 135 K HN 0.454 nan 8.250 nan 0.000 0.444 136 E N -0.445 119.564 120.200 -0.319 0.000 2.046 136 E HA -0.129 4.221 4.350 0.000 0.000 0.190 136 E C 1.967 178.473 176.600 -0.158 0.000 0.982 136 E CA 0.896 57.182 56.400 -0.190 0.000 0.800 136 E CB -0.063 29.561 29.700 -0.127 0.000 0.756 136 E HN 0.411 nan 8.360 nan 0.000 0.449 137 A N 1.524 124.253 122.820 -0.152 0.000 1.877 137 A HA -0.134 4.186 4.320 0.000 0.000 0.216 137 A C 2.383 179.915 177.584 -0.087 0.000 1.186 137 A CA 1.721 53.699 52.037 -0.098 0.000 0.620 137 A CB -0.741 18.214 19.000 -0.075 0.000 0.822 137 A HN 0.308 nan 8.150 nan 0.000 0.443 138 A N -0.068 122.675 122.820 -0.129 0.000 1.859 138 A HA -0.177 4.143 4.320 0.000 0.000 0.217 138 A C 2.218 179.777 177.584 -0.041 0.000 1.198 138 A CA 1.770 53.771 52.037 -0.059 0.000 0.629 138 A CB -0.843 18.116 19.000 -0.069 0.000 0.830 138 A HN 0.487 nan 8.150 nan 0.000 0.446 139 L N -1.006 120.156 121.223 -0.101 0.000 2.042 139 L HA -0.240 4.100 4.340 0.000 0.000 0.210 139 L C 3.149 180.001 176.870 -0.030 0.000 1.076 139 L CA 1.151 55.961 54.840 -0.050 0.000 0.749 139 L CB -0.619 41.389 42.059 -0.084 0.000 0.893 139 L HN 0.495 nan 8.230 nan 0.000 0.432 140 A N 0.140 122.934 122.820 -0.044 0.000 1.908 140 A HA -0.229 4.091 4.320 0.000 0.000 0.218 140 A C 2.176 179.753 177.584 -0.012 0.000 1.181 140 A CA 1.768 53.788 52.037 -0.028 0.000 0.627 140 A CB -0.672 18.307 19.000 -0.035 0.000 0.818 140 A HN 0.397 nan 8.150 nan 0.000 0.445 141 I N -0.395 120.170 120.570 -0.008 0.000 2.353 141 I HA -0.168 4.002 4.170 0.000 0.000 0.248 141 I C 2.465 178.593 176.117 0.019 0.000 1.119 141 I CA 1.307 62.611 61.300 0.007 0.000 1.417 141 I CB -0.005 38.002 38.000 0.013 0.000 1.078 141 I HN 0.335 nan 8.210 nan 0.000 0.421 142 V N -0.353 119.577 119.914 0.026 0.000 2.719 142 V HA -0.070 4.050 4.120 0.000 0.000 0.252 142 V C 1.720 177.829 176.094 0.024 0.000 1.065 142 V CA 1.657 63.979 62.300 0.036 0.000 1.086 142 V CB -0.568 31.290 31.823 0.057 0.000 0.700 142 V HN 0.391 nan 8.190 nan 0.000 0.467 143 N N 1.028 119.736 118.700 0.014 0.000 2.467 143 N HA 0.010 4.750 4.740 0.000 0.000 0.184 143 N C 0.346 175.860 175.510 0.006 0.000 1.106 143 N CA 0.725 53.780 53.050 0.009 0.000 0.892 143 N CB -0.361 38.127 38.487 0.001 0.000 0.969 143 N HN 0.718 nan 8.380 nan 0.000 0.454 144 D N 1.525 121.929 120.400 0.007 0.000 2.401 144 D HA 0.047 4.687 4.640 0.000 0.000 0.254 144 D C -1.559 174.746 176.300 0.008 0.000 1.192 144 D CA -1.404 52.599 54.000 0.005 0.000 0.885 144 D CB 1.238 42.041 40.800 0.005 0.000 1.147 144 D HN 0.039 nan 8.370 nan 0.000 0.478 145 P HA 0.100 nan 4.420 nan 0.000 0.229 145 P C -0.242 177.062 177.300 0.007 0.000 1.160 145 P CA 0.090 63.194 63.100 0.007 0.000 0.777 145 P CB 0.063 31.766 31.700 0.004 0.000 0.814 146 A N 0.646 123.470 122.820 0.007 0.000 2.567 146 A HA 0.384 4.704 4.320 0.000 0.000 0.240 146 A C 1.586 179.175 177.584 0.009 0.000 1.053 146 A CA 0.654 52.695 52.037 0.007 0.000 0.755 146 A CB -1.275 17.729 19.000 0.006 0.000 0.978 146 A HN 0.376 nan 8.150 nan 0.000 0.507 147 G N 1.062 109.867 108.800 0.009 0.000 2.203 147 G HA2 -0.231 3.729 3.960 0.000 0.000 0.263 147 G HA3 -0.231 3.729 3.960 0.000 0.000 0.263 147 G C 0.030 174.937 174.900 0.013 0.000 1.012 147 G CA 0.836 45.942 45.100 0.011 0.000 0.749 147 G HN 1.204 nan 8.290 nan 0.000 0.512 148 I N -0.461 120.117 120.570 0.012 0.000 2.969 148 I HA 0.447 4.617 4.170 0.000 0.000 0.307 148 I C 0.402 176.526 176.117 0.012 0.000 1.149 148 I CA -0.878 60.431 61.300 0.014 0.000 1.008 148 I CB 1.812 39.822 38.000 0.017 0.000 1.232 148 I HN 0.000 nan 8.210 nan 0.000 0.435 149 T N 6.211 120.773 114.554 0.013 0.000 2.829 149 T HA 0.159 4.509 4.350 0.000 0.000 0.293 149 T C -2.339 172.368 174.700 0.011 0.000 0.970 149 T CA -0.353 61.754 62.100 0.011 0.000 1.168 149 T CB -0.168 68.707 68.868 0.012 0.000 0.911 149 T HN 0.286 nan 8.240 nan 0.000 0.535 150 P HA 0.480 nan 4.420 nan 0.000 0.268 150 P C 0.192 177.497 177.300 0.008 0.000 1.204 150 P CA 0.031 63.136 63.100 0.008 0.000 0.768 150 P CB 0.649 32.353 31.700 0.006 0.000 0.842 151 G N 1.132 109.937 108.800 0.008 0.000 2.441 151 G HA2 0.334 4.294 3.960 0.000 0.000 0.294 151 G HA3 0.334 4.294 3.960 0.000 0.000 0.294 151 G C -1.971 172.933 174.900 0.007 0.000 1.393 151 G CA -0.667 44.438 45.100 0.007 0.000 0.796 151 G HN 0.481 nan 8.290 nan 0.000 0.494 152 D N -1.010 119.393 120.400 0.006 0.000 2.316 152 D HA 0.455 5.095 4.640 0.000 0.000 0.245 152 D C 0.698 177.002 176.300 0.006 0.000 1.171 152 D CA -0.278 53.725 54.000 0.004 0.000 0.856 152 D CB 0.688 41.489 40.800 0.002 0.000 1.090 152 D HN 0.329 nan 8.370 nan 0.000 0.476 153 C N 2.848 122.152 119.300 0.008 0.000 3.000 153 C HA 0.109 4.569 4.460 0.000 0.000 0.286 153 C C 2.292 177.287 174.990 0.008 0.000 1.343 153 C CA 0.183 59.208 59.018 0.011 0.000 1.742 153 C CB -1.552 26.198 27.740 0.017 0.000 2.200 153 C HN 0.810 nan 8.230 nan 0.000 0.621 154 S N 1.815 117.516 115.700 0.003 0.000 2.383 154 S HA -0.104 4.366 4.470 0.000 0.000 0.227 154 S C 2.015 176.612 174.600 -0.005 0.000 1.026 154 S CA 1.462 59.661 58.200 -0.001 0.000 0.981 154 S CB -0.305 62.893 63.200 -0.004 0.000 0.818 154 S HN 0.583 nan 8.310 nan 0.000 0.472 155 A N 1.823 124.639 122.820 -0.006 0.000 1.902 155 A HA 0.060 4.380 4.320 0.000 0.000 0.217 155 A C 2.270 179.846 177.584 -0.013 0.000 1.181 155 A CA 1.646 53.675 52.037 -0.013 0.000 0.623 155 A CB -0.985 18.006 19.000 -0.013 0.000 0.818 155 A HN 0.566 nan 8.150 nan 0.000 0.443 156 L N -0.290 120.933 121.223 0.000 0.000 2.046 156 L HA -0.047 4.293 4.340 0.000 0.000 0.208 156 L C 2.714 179.596 176.870 0.019 0.000 1.077 156 L CA 2.127 56.976 54.840 0.014 0.000 0.747 156 L CB -0.710 41.367 42.059 0.029 0.000 0.896 156 L HN 0.348 nan 8.230 nan 0.000 0.432 157 A N -1.649 121.182 122.820 0.018 0.000 1.940 157 A HA -0.260 4.060 4.320 0.000 0.000 0.219 157 A C 2.535 180.124 177.584 0.008 0.000 1.176 157 A CA 2.071 54.122 52.037 0.024 0.000 0.631 157 A CB -1.109 17.898 19.000 0.013 0.000 0.814 157 A HN 0.537 nan 8.150 nan 0.000 0.446 158 S N -0.981 114.710 115.700 -0.015 0.000 2.355 158 S HA -0.190 4.280 4.470 0.000 0.000 0.222 158 S C 2.022 176.573 174.600 -0.083 0.000 1.031 158 S CA 1.543 59.721 58.200 -0.036 0.000 0.993 158 S CB -0.337 62.841 63.200 -0.036 0.000 0.859 158 S HN 0.674 nan 8.310 nan 0.000 0.453 159 E N 0.353 120.485 120.200 -0.114 0.000 2.049 159 E HA -0.174 4.176 4.350 0.000 0.000 0.198 159 E C 2.003 178.404 176.600 -0.332 0.000 1.007 159 E CA 1.780 58.022 56.400 -0.263 0.000 0.809 159 E CB -0.307 29.292 29.700 -0.168 0.000 0.749 159 E HN 0.624 nan 8.360 nan 0.000 0.450 160 I N 0.921 121.464 120.570 -0.044 0.000 2.208 160 I HA -0.309 3.861 4.170 0.000 0.000 0.245 160 I C 2.613 178.880 176.117 0.250 0.000 1.097 160 I CA 1.082 62.483 61.300 0.167 0.000 1.363 160 I CB -0.425 37.723 38.000 0.246 0.000 1.051 160 I HN 0.194 nan 8.210 nan 0.000 0.413 161 A N 1.110 124.010 122.820 0.134 0.000 1.908 161 A HA -0.174 4.146 4.320 0.000 0.000 0.218 161 A C 2.473 180.126 177.584 0.115 0.000 1.181 161 A CA 2.067 54.186 52.037 0.137 0.000 0.627 161 A CB -1.554 17.466 19.000 0.033 0.000 0.818 161 A HN 0.472 nan 8.150 nan 0.000 0.445 162 G N -1.230 107.543 108.800 -0.045 0.000 2.491 162 G HA2 -0.276 3.684 3.960 0.000 0.000 0.218 162 G HA3 -0.276 3.684 3.960 0.000 0.000 0.218 162 G C 1.436 176.320 174.900 -0.025 0.000 1.180 162 G CA 1.401 46.436 45.100 -0.110 0.000 0.774 162 G HN 0.522 nan 8.290 nan 0.000 0.562 163 Y N 0.153 120.491 120.300 0.063 0.000 2.114 163 Y HA 0.014 4.564 4.550 0.000 0.000 0.284 163 Y C 2.635 178.519 175.900 -0.027 0.000 1.143 163 Y CA 0.627 58.718 58.100 -0.015 0.000 1.135 163 Y CB -1.217 37.190 38.460 -0.089 0.000 0.980 163 Y HN 0.173 nan 8.280 nan 0.000 0.499 164 F N 0.623 120.677 119.950 0.173 0.000 2.065 164 F HA -0.267 4.260 4.527 0.000 0.000 0.298 164 F C 2.216 178.060 175.800 0.072 0.000 1.112 164 F CA 1.920 59.981 58.000 0.101 0.000 1.212 164 F CB -0.687 38.352 39.000 0.065 0.000 0.975 164 F HN 0.047 nan 8.300 nan 0.000 0.476 165 D N -0.147 120.397 120.400 0.240 0.000 2.149 165 D HA -0.171 4.469 4.640 0.000 0.000 0.198 165 D C 2.346 178.711 176.300 0.107 0.000 0.990 165 D CA 1.244 55.326 54.000 0.136 0.000 0.839 165 D CB -0.373 40.477 40.800 0.083 0.000 0.948 165 D HN 0.394 nan 8.370 nan 0.000 0.460 166 R N 0.720 121.285 120.500 0.108 0.000 2.161 166 R HA 0.193 4.533 4.340 0.000 0.000 0.213 166 R C 2.054 178.402 176.300 0.079 0.000 1.055 166 R CA 0.976 57.127 56.100 0.086 0.000 0.996 166 R CB -0.322 30.029 30.300 0.086 0.000 0.901 166 R HN 0.019 nan 8.270 nan 0.000 0.456 167 A N 2.069 124.942 122.820 0.088 0.000 1.877 167 A HA -0.033 4.287 4.320 0.000 0.000 0.216 167 A C 2.558 180.199 177.584 0.094 0.000 1.186 167 A CA 1.779 53.861 52.037 0.074 0.000 0.620 167 A CB -0.753 18.283 19.000 0.059 0.000 0.822 167 A HN 0.512 nan 8.150 nan 0.000 0.443 168 A N -0.106 122.782 122.820 0.113 0.000 1.883 168 A HA 0.112 4.432 4.320 0.000 0.000 0.217 168 A C 2.503 180.134 177.584 0.078 0.000 1.186 168 A CA 2.265 54.361 52.037 0.097 0.000 0.624 168 A CB -1.093 17.963 19.000 0.093 0.000 0.822 168 A HN 1.167 nan 8.150 nan 0.000 0.444 169 A N -0.541 122.321 122.820 0.069 0.000 2.019 169 A HA 0.192 4.512 4.320 0.000 0.000 0.219 169 A C 2.324 179.940 177.584 0.053 0.000 1.164 169 A CA 1.930 54.000 52.037 0.055 0.000 0.644 169 A CB -0.691 18.338 19.000 0.049 0.000 0.805 169 A HN 1.062 nan 8.150 nan 0.000 0.449 170 A N -0.456 122.398 122.820 0.057 0.000 2.072 170 A HA 0.315 4.635 4.320 0.000 0.000 0.216 170 A C 1.095 178.714 177.584 0.059 0.000 1.156 170 A CA 1.089 53.153 52.037 0.044 0.000 0.701 170 A CB -0.444 18.573 19.000 0.028 0.000 0.816 170 A HN 1.089 nan 8.150 nan 0.000 0.458 171 V N -0.883 119.089 119.914 0.097 0.000 2.235 171 V HA 0.672 4.792 4.120 0.000 0.000 0.266 171 V C -0.473 175.707 176.094 0.144 0.000 1.055 171 V CA 0.198 62.598 62.300 0.166 0.000 0.844 171 V CB -0.640 31.358 31.823 0.291 0.000 1.097 171 V HN 0.688 nan 8.190 nan 0.000 0.453 172 S N 0.000 115.762 115.700 0.104 0.000 2.498 172 S HA 0.000 4.470 4.470 0.000 0.000 0.327 172 S CA 0.000 58.242 58.200 0.070 0.000 1.107 172 S CB 0.000 63.234 63.200 0.057 0.000 0.593 172 S HN 0.000 nan 8.310 nan 0.000 0.517