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 2xhz_1_C DATA FIRST_RESID 11 DATA SEQUENCE DFQQAGKEVL AIERECLAEL DQYINQNFTL ACEKMFWCKG KVVVMGMGAS DATA SEQUENCE GHIGRKMAAT FASTGTPSFF VHPGEAAHGD LGMVTPQDVV IAISNSGESS DATA SEQUENCE EITALIPVLK RLHVPLICIT GRPESSMARA ADVHLCVKVA KEACPLGLAP DATA SEQUENCE TSSTTATLVM GDALAVALLK ARG 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 11 D HA 0.000 nan 4.640 nan 0.000 0.175 11 D C 0.000 176.405 176.300 0.174 0.000 2.045 11 D CA 0.000 54.086 54.000 0.143 0.000 0.868 11 D CB 0.000 40.899 40.800 0.165 0.000 0.688 12 F N 1.809 121.758 119.950 -0.002 0.000 2.046 12 F HA -0.100 4.432 4.527 0.008 0.000 0.297 12 F C 2.637 178.436 175.800 -0.002 0.000 1.123 12 F CA 2.025 60.024 58.000 -0.002 0.000 1.199 12 F CB -0.172 38.827 39.000 -0.003 0.000 0.972 12 F HN -0.050 nan 8.300 nan 0.000 0.474 13 Q N -0.446 119.475 119.800 0.201 0.000 2.234 13 Q HA -0.280 4.064 4.340 0.008 0.000 0.206 13 Q C 2.004 178.040 176.000 0.059 0.000 0.980 13 Q CA 1.426 57.290 55.803 0.101 0.000 0.869 13 Q CB -0.316 28.467 28.738 0.075 0.000 0.912 13 Q HN 0.371 nan 8.270 nan 0.000 0.436 14 Q N 0.657 120.493 119.800 0.060 0.000 2.079 14 Q HA -0.091 4.254 4.340 0.008 0.000 0.200 14 Q C 1.779 177.783 176.000 0.007 0.000 0.974 14 Q CA 1.791 57.613 55.803 0.030 0.000 0.840 14 Q CB -0.251 28.507 28.738 0.033 0.000 0.898 14 Q HN 0.378 nan 8.270 nan 0.000 0.430 15 A N -0.931 121.882 122.820 -0.012 0.000 2.072 15 A HA 0.177 4.502 4.320 0.008 0.000 0.216 15 A C 2.109 179.669 177.584 -0.039 0.000 1.156 15 A CA 1.013 53.022 52.037 -0.048 0.000 0.701 15 A CB -0.681 18.250 19.000 -0.114 0.000 0.816 15 A HN 0.490 nan 8.150 nan 0.000 0.458 16 G N -0.139 108.651 108.800 -0.017 0.000 2.430 16 G HA2 -0.111 3.854 3.960 0.008 0.000 0.216 16 G HA3 -0.111 3.854 3.960 0.008 0.000 0.216 16 G C 1.609 176.509 174.900 -0.000 0.000 1.146 16 G CA 0.772 45.868 45.100 -0.006 0.000 0.793 16 G HN 0.534 nan 8.290 nan 0.000 0.537 17 K N 0.088 120.491 120.400 0.005 0.000 2.186 17 K HA 0.058 4.383 4.320 0.008 0.000 0.202 17 K C 2.211 178.810 176.600 -0.001 0.000 1.052 17 K CA 0.769 57.058 56.287 0.004 0.000 0.965 17 K CB 0.023 32.528 32.500 0.009 0.000 0.746 17 K HN 0.387 nan 8.250 nan 0.000 0.457 18 E N 1.074 121.271 120.200 -0.005 0.000 2.072 18 E HA -0.155 4.200 4.350 0.008 0.000 0.191 18 E C 1.865 178.459 176.600 -0.009 0.000 0.985 18 E CA 0.940 57.336 56.400 -0.007 0.000 0.801 18 E CB 0.186 29.880 29.700 -0.011 0.000 0.750 18 E HN -0.017 nan 8.360 nan 0.000 0.452 19 V N 1.505 121.411 119.914 -0.013 0.000 2.332 19 V HA -0.254 3.871 4.120 0.008 0.000 0.248 19 V C 2.454 178.544 176.094 -0.007 0.000 1.055 19 V CA 1.550 63.843 62.300 -0.013 0.000 1.038 19 V CB -0.562 31.249 31.823 -0.019 0.000 0.651 19 V HN 0.365 nan 8.190 nan 0.000 0.450 20 L N 0.963 122.183 121.223 -0.005 0.000 2.046 20 L HA -0.053 4.291 4.340 0.008 0.000 0.208 20 L C 2.416 179.285 176.870 -0.001 0.000 1.077 20 L CA 2.383 57.221 54.840 -0.003 0.000 0.747 20 L CB -1.119 40.940 42.059 -0.001 0.000 0.896 20 L HN 0.207 nan 8.230 nan 0.000 0.432 21 A N -0.036 122.784 122.820 -0.001 0.000 1.858 21 A HA -0.173 4.152 4.320 0.008 0.000 0.216 21 A C 2.283 179.868 177.584 0.000 0.000 1.190 21 A CA 2.043 54.080 52.037 -0.000 0.000 0.617 21 A CB -0.914 18.086 19.000 -0.000 0.000 0.827 21 A HN 0.498 nan 8.150 nan 0.000 0.443 22 I N -0.269 120.300 120.570 -0.000 0.000 2.194 22 I HA -0.310 3.864 4.170 0.008 0.000 0.246 22 I C 2.543 178.663 176.117 0.004 0.000 1.093 22 I CA 1.827 63.128 61.300 0.002 0.000 1.355 22 I CB -0.509 37.490 38.000 -0.001 0.000 1.046 22 I HN 0.466 nan 8.210 nan 0.000 0.413 23 E N 0.511 120.713 120.200 0.003 0.000 2.072 23 E HA -0.164 4.191 4.350 0.008 0.000 0.190 23 E C 2.344 178.948 176.600 0.007 0.000 0.982 23 E CA 0.759 57.162 56.400 0.005 0.000 0.803 23 E CB -0.064 29.637 29.700 0.002 0.000 0.755 23 E HN 0.463 nan 8.360 nan 0.000 0.453 24 R N 0.901 121.403 120.500 0.004 0.000 2.120 24 R HA -0.155 4.189 4.340 0.008 0.000 0.234 24 R C 2.354 178.657 176.300 0.005 0.000 1.123 24 R CA 1.225 57.327 56.100 0.003 0.000 0.975 24 R CB -0.154 30.146 30.300 0.000 0.000 0.866 24 R HN 0.246 nan 8.270 nan 0.000 0.446 25 E N 0.392 120.595 120.200 0.006 0.000 2.051 25 E HA -0.200 4.154 4.350 0.008 0.000 0.192 25 E C 1.794 178.402 176.600 0.014 0.000 0.991 25 E CA 1.467 57.871 56.400 0.007 0.000 0.799 25 E CB 0.029 29.733 29.700 0.006 0.000 0.748 25 E HN 0.356 nan 8.360 nan 0.000 0.449 26 C N 0.765 120.077 119.300 0.020 0.000 2.425 26 C HA -0.075 4.390 4.460 0.008 0.000 0.277 26 C C 2.617 177.632 174.990 0.041 0.000 1.280 26 C CA 0.349 59.387 59.018 0.034 0.000 1.744 26 C CB -1.017 26.743 27.740 0.033 0.000 1.989 26 C HN 0.480 nan 8.230 nan 0.000 0.491 27 L N 1.126 122.366 121.223 0.027 0.000 2.191 27 L HA -0.133 4.211 4.340 0.008 0.000 0.212 27 L C 2.782 179.661 176.870 0.015 0.000 1.103 27 L CA 1.406 56.261 54.840 0.025 0.000 0.769 27 L CB -0.673 41.394 42.059 0.013 0.000 0.908 27 L HN 0.344 nan 8.230 nan 0.000 0.438 28 A N -0.615 122.209 122.820 0.007 0.000 2.119 28 A HA -0.104 4.220 4.320 0.008 0.000 0.217 28 A C 1.990 179.565 177.584 -0.015 0.000 1.153 28 A CA 0.955 52.987 52.037 -0.007 0.000 0.692 28 A CB -0.141 18.854 19.000 -0.009 0.000 0.799 28 A HN 0.335 nan 8.150 nan 0.000 0.458 29 E N -0.839 119.364 120.200 0.005 0.000 2.447 29 E HA 0.021 4.375 4.350 0.008 0.000 0.195 29 E C 1.455 178.046 176.600 -0.015 0.000 1.028 29 E CA 0.115 56.512 56.400 -0.005 0.000 0.876 29 E CB -0.039 29.688 29.700 0.044 0.000 0.885 29 E HN 0.504 nan 8.360 nan 0.000 0.500 30 L N 1.521 122.770 121.223 0.045 0.000 2.179 30 L HA -0.056 4.289 4.340 0.008 0.000 0.208 30 L C 1.793 178.666 176.870 0.004 0.000 1.096 30 L CA 1.410 56.333 54.840 0.138 0.000 0.779 30 L CB -0.328 41.812 42.059 0.134 0.000 0.922 30 L HN -0.066 nan 8.230 nan 0.000 0.443 31 D N -0.517 119.843 120.400 -0.065 0.000 2.191 31 D HA -0.346 4.299 4.640 0.008 0.000 0.190 31 D C 2.170 178.380 176.300 -0.151 0.000 1.007 31 D CA 2.118 56.057 54.000 -0.101 0.000 0.865 31 D CB -0.076 40.666 40.800 -0.095 0.000 0.929 31 D HN 0.666 nan 8.370 nan 0.000 0.447 32 Q N -1.214 118.432 119.800 -0.257 0.000 2.152 32 Q HA -0.254 4.091 4.340 0.008 0.000 0.206 32 Q C 1.865 177.718 176.000 -0.246 0.000 0.985 32 Q CA 1.545 57.160 55.803 -0.313 0.000 0.863 32 Q CB -0.828 27.623 28.738 -0.479 0.000 0.904 32 Q HN 0.466 nan 8.270 nan 0.000 0.422 33 Y N 1.185 121.479 120.300 -0.009 0.000 2.439 33 Y HA 0.104 4.660 4.550 0.009 0.000 0.292 33 Y C 1.285 177.191 175.900 0.009 0.000 1.130 33 Y CA -0.089 58.022 58.100 0.018 0.000 1.254 33 Y CB -0.055 38.425 38.460 0.032 0.000 1.000 33 Y HN 0.069 nan 8.280 nan 0.000 0.554 34 I N 2.776 123.361 120.570 0.025 0.000 2.624 34 I HA -0.065 4.110 4.170 0.008 0.000 0.277 34 I C 0.506 176.547 176.117 -0.127 0.000 1.011 34 I CA 0.311 61.487 61.300 -0.206 0.000 2.219 34 I CB -1.347 36.379 38.000 -0.456 0.000 1.499 34 I HN 0.421 nan 8.210 nan 0.000 0.955 35 N N 0.325 119.066 118.700 0.068 0.000 2.992 35 N HA 0.215 4.959 4.740 0.008 0.000 0.338 35 N C 0.569 176.173 175.510 0.157 0.000 1.376 35 N CA -0.804 52.292 53.050 0.077 0.000 0.778 35 N CB 0.412 38.944 38.487 0.075 0.000 1.232 35 N HN -0.031 nan 8.380 nan 0.000 0.581 36 Q N 0.497 120.368 119.800 0.117 0.000 2.082 36 Q HA -0.199 4.145 4.340 0.008 0.000 0.211 36 Q C 1.559 177.641 176.000 0.137 0.000 1.002 36 Q CA 1.994 57.867 55.803 0.116 0.000 0.868 36 Q CB -1.125 27.662 28.738 0.082 0.000 0.931 36 Q HN 0.585 nan 8.270 nan 0.000 0.414 37 N N 0.109 118.895 118.700 0.143 0.000 2.137 37 N HA -0.165 4.579 4.740 0.008 0.000 0.190 37 N C 1.532 177.122 175.510 0.134 0.000 1.017 37 N CA 0.915 54.042 53.050 0.127 0.000 0.859 37 N CB -0.655 37.915 38.487 0.138 0.000 1.002 37 N HN 0.242 nan 8.380 nan 0.000 0.428 38 F N 1.847 121.824 119.950 0.044 0.000 2.069 38 F HA -0.227 4.305 4.527 0.008 0.000 0.298 38 F C 2.305 178.120 175.800 0.026 0.000 1.113 38 F CA 1.526 59.548 58.000 0.037 0.000 1.214 38 F CB -0.654 38.371 39.000 0.042 0.000 0.978 38 F HN -0.036 nan 8.300 nan 0.000 0.474 39 T N 1.715 116.400 114.554 0.218 0.000 2.652 39 T HA -0.220 4.135 4.350 0.008 0.000 0.267 39 T C 2.105 176.803 174.700 -0.003 0.000 1.039 39 T CA 1.878 64.036 62.100 0.097 0.000 1.153 39 T CB -0.642 68.293 68.868 0.112 0.000 0.863 39 T HN 0.216 nan 8.240 nan 0.000 0.428 40 L N 0.850 122.087 121.223 0.023 0.000 1.963 40 L HA -0.232 4.113 4.340 0.008 0.000 0.220 40 L C 3.088 179.939 176.870 -0.032 0.000 1.076 40 L CA 1.676 56.524 54.840 0.013 0.000 0.772 40 L CB -0.907 41.172 42.059 0.033 0.000 0.892 40 L HN 0.261 nan 8.230 nan 0.000 0.435 41 A N -0.726 122.050 122.820 -0.073 0.000 1.903 41 A HA -0.303 4.022 4.320 0.008 0.000 0.219 41 A C 2.397 179.880 177.584 -0.170 0.000 1.191 41 A CA 2.315 54.277 52.037 -0.124 0.000 0.638 41 A CB -1.417 17.482 19.000 -0.168 0.000 0.823 41 A HN 0.630 nan 8.150 nan 0.000 0.451 42 C N -0.889 118.262 119.300 -0.248 0.000 2.425 42 C HA -0.093 4.372 4.460 0.008 0.000 0.277 42 C C 2.640 177.555 174.990 -0.126 0.000 1.280 42 C CA 1.115 59.995 59.018 -0.230 0.000 1.744 42 C CB -1.407 26.169 27.740 -0.274 0.000 1.989 42 C HN 0.691 nan 8.230 nan 0.000 0.491 43 E N 0.885 121.033 120.200 -0.087 0.000 2.028 43 E HA -0.188 4.167 4.350 0.008 0.000 0.191 43 E C 2.185 178.829 176.600 0.074 0.000 0.988 43 E CA 1.061 57.444 56.400 -0.028 0.000 0.799 43 E CB -0.188 29.549 29.700 0.062 0.000 0.755 43 E HN 0.592 nan 8.360 nan 0.000 0.447 44 K N 0.269 120.717 120.400 0.080 0.000 2.152 44 K HA -0.104 4.221 4.320 0.008 0.000 0.206 44 K C 2.098 178.724 176.600 0.043 0.000 1.048 44 K CA 1.244 57.594 56.287 0.106 0.000 0.933 44 K CB -0.050 32.482 32.500 0.053 0.000 0.721 44 K HN 0.136 nan 8.250 nan 0.000 0.447 45 M N -0.745 118.825 119.600 -0.049 0.000 2.254 45 M HA -0.089 4.396 4.480 0.008 0.000 0.265 45 M C 1.874 178.097 176.300 -0.128 0.000 1.066 45 M CA 1.150 56.372 55.300 -0.131 0.000 1.123 45 M CB -0.121 32.333 32.600 -0.243 0.000 1.388 45 M HN 0.086 nan 8.290 nan 0.000 0.425 46 F N -0.576 119.197 119.950 -0.296 0.000 2.234 46 F HA -0.178 4.353 4.527 0.008 0.000 0.299 46 F C 1.233 176.756 175.800 -0.461 0.000 1.087 46 F CA 1.525 59.246 58.000 -0.464 0.000 1.340 46 F CB -0.058 38.522 39.000 -0.700 0.000 1.031 46 F HN 0.091 nan 8.300 nan 0.000 0.500 47 W N -1.250 120.085 121.300 0.058 0.000 3.290 47 W HA 0.212 4.876 4.660 0.007 0.000 0.287 47 W C 0.887 177.368 176.519 -0.065 0.000 1.288 47 W CA -0.527 56.814 57.345 -0.007 0.000 1.725 47 W CB -0.583 28.922 29.460 0.074 0.000 1.103 47 W HN -0.183 nan 8.180 nan 0.000 0.670 48 C N 3.336 122.682 119.300 0.077 0.000 2.517 48 C HA -0.065 4.399 4.460 0.008 0.000 0.403 48 C C 1.696 176.688 174.990 0.004 0.000 1.467 48 C CA 0.546 59.576 59.018 0.021 0.000 1.542 48 C CB -0.106 27.603 27.740 -0.052 0.000 2.482 48 C HN 0.369 nan 8.230 nan 0.000 0.610 49 K N 3.730 124.146 120.400 0.027 0.000 2.379 49 K HA 0.131 4.456 4.320 0.008 0.000 0.194 49 K C 1.497 178.103 176.600 0.011 0.000 1.031 49 K CA 0.772 57.070 56.287 0.018 0.000 1.037 49 K CB 0.413 32.931 32.500 0.029 0.000 0.824 49 K HN 0.908 nan 8.250 nan 0.000 0.516 50 G N 1.106 109.913 108.800 0.013 0.000 3.223 50 G HA2 0.167 4.131 3.960 0.008 0.000 0.198 50 G HA3 0.167 4.131 3.960 0.008 0.000 0.198 50 G C -0.397 174.525 174.900 0.038 0.000 1.980 50 G CA -0.110 45.007 45.100 0.029 0.000 0.828 50 G HN -0.095 nan 8.290 nan 0.000 0.680 51 K N 0.042 120.472 120.400 0.050 0.000 2.468 51 K HA 0.475 4.800 4.320 0.008 0.000 0.252 51 K C -1.249 175.309 176.600 -0.070 0.000 0.932 51 K CA -0.625 55.699 56.287 0.062 0.000 0.794 51 K CB 2.456 35.135 32.500 0.297 0.000 1.241 51 K HN 0.131 nan 8.250 nan 0.000 0.428 52 V N 2.916 122.748 119.914 -0.137 0.000 2.387 52 V HA 0.104 4.229 4.120 0.008 0.000 0.260 52 V C 0.077 175.981 176.094 -0.316 0.000 1.054 52 V CA -0.608 61.553 62.300 -0.231 0.000 0.967 52 V CB 0.785 32.403 31.823 -0.343 0.000 1.036 52 V HN 0.342 nan 8.190 nan 0.000 0.481 53 V N 7.023 126.713 119.914 -0.374 0.000 2.334 53 V HA 0.294 4.419 4.120 0.008 0.000 0.267 53 V C 0.151 176.045 176.094 -0.332 0.000 1.040 53 V CA -0.484 61.471 62.300 -0.575 0.000 0.866 53 V CB 1.426 32.905 31.823 -0.573 0.000 1.019 53 V HN 0.709 nan 8.190 nan 0.000 0.468 54 V N 4.357 124.126 119.914 -0.243 0.000 2.539 54 V HA 0.833 4.958 4.120 0.008 0.000 0.292 54 V C -0.273 175.683 176.094 -0.230 0.000 1.045 54 V CA -0.596 61.663 62.300 -0.069 0.000 0.945 54 V CB 1.366 33.291 31.823 0.170 0.000 0.993 54 V HN 0.948 nan 8.190 nan 0.000 0.464 55 M N 2.786 122.273 119.600 -0.187 0.000 2.520 55 M HA 1.009 5.494 4.480 0.008 0.000 0.280 55 M C -0.419 175.847 176.300 -0.057 0.000 1.232 55 M CA -0.279 54.773 55.300 -0.413 0.000 0.892 55 M CB 2.203 34.551 32.600 -0.419 0.000 1.728 55 M HN 1.179 nan 8.290 nan 0.000 0.475 56 G N 1.788 110.594 108.800 0.011 0.000 2.495 56 G HA2 0.653 4.618 3.960 0.008 0.000 0.294 56 G HA3 0.653 4.618 3.960 0.008 0.000 0.294 56 G C -1.982 172.893 174.900 -0.042 0.000 1.397 56 G CA -0.948 44.176 45.100 0.039 0.000 0.790 56 G HN 0.629 nan 8.290 nan 0.000 0.486 57 M N 0.582 120.148 119.600 -0.057 0.000 2.535 57 M HA 0.619 5.104 4.480 0.008 0.000 0.314 57 M C 1.058 177.346 176.300 -0.020 0.000 1.153 57 M CA 0.274 55.535 55.300 -0.064 0.000 0.924 57 M CB 0.650 33.217 32.600 -0.055 0.000 1.710 57 M HN 1.894 nan 8.290 nan 0.000 0.451 58 G N 2.068 110.864 108.800 -0.005 0.000 2.652 58 G HA2 -0.319 3.645 3.960 0.008 0.000 0.318 58 G HA3 -0.319 3.645 3.960 0.008 0.000 0.318 58 G C 0.943 175.839 174.900 -0.007 0.000 1.295 58 G CA 1.512 46.618 45.100 0.010 0.000 0.999 58 G HN 1.027 nan 8.290 nan 0.000 0.548 59 A N -1.253 121.643 122.820 0.126 0.000 1.884 59 A HA -0.070 4.255 4.320 0.008 0.000 0.219 59 A C 2.833 180.459 177.584 0.071 0.000 1.197 59 A CA 3.689 55.825 52.037 0.165 0.000 0.637 59 A CB -1.120 17.936 19.000 0.094 0.000 0.827 59 A HN 1.488 nan 8.150 nan 0.000 0.450 60 S N -0.577 115.138 115.700 0.025 0.000 2.374 60 S HA -0.135 4.339 4.470 0.008 0.000 0.227 60 S C 2.057 176.651 174.600 -0.010 0.000 1.037 60 S CA 1.348 59.555 58.200 0.011 0.000 1.024 60 S CB -0.834 62.373 63.200 0.012 0.000 0.861 60 S HN 0.848 nan 8.310 nan 0.000 0.456 61 G N 1.821 110.582 108.800 -0.066 0.000 2.421 61 G HA2 -0.239 3.726 3.960 0.008 0.000 0.216 61 G HA3 -0.239 3.726 3.960 0.008 0.000 0.216 61 G C 1.145 175.788 174.900 -0.428 0.000 1.171 61 G CA 0.835 45.854 45.100 -0.135 0.000 0.775 61 G HN 0.541 nan 8.290 nan 0.000 0.543 62 H N 0.095 119.067 119.070 -0.162 0.000 2.387 62 H HA -0.019 4.543 4.556 0.009 0.000 0.299 62 H C 2.642 177.856 175.328 -0.190 0.000 1.090 62 H CA 1.130 57.061 56.048 -0.195 0.000 1.332 62 H CB -0.060 29.643 29.762 -0.100 0.000 1.386 62 H HN 0.298 nan 8.280 nan 0.000 0.516 63 I N 0.412 120.969 120.570 -0.021 0.000 2.233 63 I HA -0.076 4.098 4.170 0.008 0.000 0.243 63 I C 2.800 178.873 176.117 -0.073 0.000 1.093 63 I CA 1.175 62.451 61.300 -0.039 0.000 1.380 63 I CB -0.903 37.090 38.000 -0.012 0.000 1.067 63 I HN 0.216 nan 8.210 nan 0.000 0.413 64 G N -0.083 108.683 108.800 -0.057 0.000 2.501 64 G HA2 -0.275 3.690 3.960 0.008 0.000 0.220 64 G HA3 -0.275 3.690 3.960 0.008 0.000 0.220 64 G C 1.894 176.784 174.900 -0.017 0.000 1.114 64 G CA 0.710 45.836 45.100 0.043 0.000 0.757 64 G HN 0.264 nan 8.290 nan 0.000 0.559 65 R N 0.100 120.398 120.500 -0.336 0.000 2.052 65 R HA 0.034 4.379 4.340 0.008 0.000 0.226 65 R C 2.557 178.790 176.300 -0.111 0.000 1.145 65 R CA 1.075 56.956 56.100 -0.364 0.000 0.952 65 R CB -0.262 29.712 30.300 -0.543 0.000 0.847 65 R HN 0.126 nan 8.270 nan 0.000 0.431 66 K N 1.023 121.358 120.400 -0.108 0.000 2.218 66 K HA -0.204 4.121 4.320 0.008 0.000 0.205 66 K C 1.842 178.385 176.600 -0.096 0.000 1.046 66 K CA 1.605 57.847 56.287 -0.075 0.000 0.933 66 K CB -0.193 32.265 32.500 -0.070 0.000 0.728 66 K HN 0.256 nan 8.250 nan 0.000 0.454 67 M N 0.007 119.542 119.600 -0.109 0.000 2.099 67 M HA -0.154 4.330 4.480 0.008 0.000 0.262 67 M C 2.105 178.300 176.300 -0.176 0.000 1.067 67 M CA 1.802 56.973 55.300 -0.213 0.000 1.124 67 M CB -0.172 32.351 32.600 -0.129 0.000 1.353 67 M HN 0.203 nan 8.290 nan 0.000 0.410 68 A N 0.171 123.032 122.820 0.068 0.000 1.877 68 A HA -0.102 4.223 4.320 0.008 0.000 0.216 68 A C 2.287 179.963 177.584 0.153 0.000 1.186 68 A CA 1.992 54.157 52.037 0.213 0.000 0.620 68 A CB -1.308 17.842 19.000 0.249 0.000 0.822 68 A HN 0.633 nan 8.150 nan 0.000 0.443 69 A N -1.116 121.750 122.820 0.077 0.000 1.908 69 A HA -0.127 4.197 4.320 0.008 0.000 0.218 69 A C 2.304 179.906 177.584 0.030 0.000 1.181 69 A CA 2.426 54.498 52.037 0.057 0.000 0.627 69 A CB -1.269 17.745 19.000 0.025 0.000 0.818 69 A HN 0.446 nan 8.150 nan 0.000 0.445 70 T N -0.753 113.774 114.554 -0.046 0.000 2.777 70 T HA -0.050 4.305 4.350 0.008 0.000 0.266 70 T C 1.523 176.208 174.700 -0.024 0.000 1.040 70 T CA 1.336 63.383 62.100 -0.088 0.000 1.141 70 T CB -0.374 68.369 68.868 -0.208 0.000 0.868 70 T HN 0.364 nan 8.240 nan 0.000 0.444 71 F N 1.947 121.909 119.950 0.020 0.000 2.095 71 F HA 0.001 4.532 4.527 0.007 0.000 0.298 71 F C 2.597 178.406 175.800 0.015 0.000 1.104 71 F CA 0.467 58.474 58.000 0.012 0.000 1.232 71 F CB -1.306 37.696 39.000 0.005 0.000 0.987 71 F HN 0.132 nan 8.300 nan 0.000 0.475 72 A N 0.256 123.213 122.820 0.230 0.000 1.834 72 A HA -0.225 4.100 4.320 0.008 0.000 0.216 72 A C 2.351 179.993 177.584 0.097 0.000 1.203 72 A CA 2.597 54.719 52.037 0.141 0.000 0.621 72 A CB -1.486 17.591 19.000 0.129 0.000 0.841 72 A HN 0.395 nan 8.150 nan 0.000 0.446 73 S N -1.219 114.527 115.700 0.077 0.000 2.488 73 S HA -0.129 4.346 4.470 0.008 0.000 0.246 73 S C 1.356 175.987 174.600 0.052 0.000 0.992 73 S CA 1.876 60.107 58.200 0.052 0.000 0.963 73 S CB -0.845 62.377 63.200 0.036 0.000 0.754 73 S HN 0.513 nan 8.310 nan 0.000 0.519 74 T N 0.194 114.793 114.554 0.075 0.000 3.037 74 T HA 0.489 4.844 4.350 0.008 0.000 0.251 74 T C 1.375 176.114 174.700 0.065 0.000 1.079 74 T CA 0.564 62.709 62.100 0.075 0.000 1.067 74 T CB 0.279 69.212 68.868 0.109 0.000 0.948 74 T HN 0.797 nan 8.240 nan 0.000 0.496 75 G N 1.131 109.966 108.800 0.059 0.000 2.205 75 G HA2 -0.174 3.791 3.960 0.008 0.000 0.180 75 G HA3 -0.174 3.791 3.960 0.008 0.000 0.180 75 G C 0.305 175.204 174.900 -0.001 0.000 1.004 75 G CA -0.134 44.979 45.100 0.023 0.000 0.670 75 G HN 0.421 nan 8.290 nan 0.000 0.496 76 T N 3.722 118.297 114.554 0.035 0.000 3.016 76 T HA 0.509 4.863 4.350 0.008 0.000 0.335 76 T C -2.500 172.203 174.700 0.006 0.000 1.176 76 T CA -1.009 61.074 62.100 -0.028 0.000 0.987 76 T CB 1.599 70.418 68.868 -0.083 0.000 1.073 76 T HN 0.050 nan 8.240 nan 0.000 0.547 77 P HA 0.104 nan 4.420 nan 0.000 0.256 77 P C -0.315 177.023 177.300 0.062 0.000 1.173 77 P CA 0.476 63.604 63.100 0.047 0.000 0.768 77 P CB 0.316 32.034 31.700 0.030 0.000 0.758 78 S N 3.274 119.060 115.700 0.144 0.000 2.596 78 S HA 0.870 5.344 4.470 0.008 0.000 0.270 78 S C -1.772 173.001 174.600 0.288 0.000 1.155 78 S CA -0.686 57.594 58.200 0.134 0.000 0.827 78 S CB 0.718 63.984 63.200 0.109 0.000 1.130 78 S HN 0.245 nan 8.310 nan 0.000 0.467 79 F N 0.447 120.460 119.950 0.105 0.000 2.693 79 F HA 0.766 5.295 4.527 0.005 0.000 0.309 79 F C -1.673 174.223 175.800 0.160 0.000 1.129 79 F CA -1.370 56.706 58.000 0.128 0.000 0.948 79 F CB 0.494 39.544 39.000 0.083 0.000 1.315 79 F HN 0.568 nan 8.300 nan 0.000 0.447 80 F N 2.180 122.244 119.950 0.190 0.000 2.399 80 F HA 0.836 5.369 4.527 0.010 0.000 0.328 80 F C -1.129 174.776 175.800 0.176 0.000 1.084 80 F CA -0.767 57.283 58.000 0.083 0.000 1.053 80 F CB 1.639 40.688 39.000 0.082 0.000 1.209 80 F HN 0.471 nan 8.300 nan 0.000 0.502 81 V N 4.764 124.099 119.914 -0.965 0.000 2.817 81 V HA 0.140 4.265 4.120 0.008 0.000 0.303 81 V C -0.871 174.741 176.094 -0.804 0.000 1.151 81 V CA -0.912 61.074 62.300 -0.524 0.000 0.929 81 V CB 1.522 33.248 31.823 -0.161 0.000 1.030 81 V HN 0.769 nan 8.190 nan 0.000 0.427 82 H N 6.471 125.334 119.070 -0.345 0.000 2.848 82 H HA 0.184 4.743 4.556 0.004 0.000 0.317 82 H C -1.899 173.360 175.328 -0.116 0.000 1.046 82 H CA -1.183 54.779 56.048 -0.143 0.000 1.470 82 H CB 2.214 32.021 29.762 0.074 0.000 1.483 82 H HN 0.338 nan 8.280 nan 0.000 0.548 83 P HA -0.162 nan 4.420 nan 0.000 0.215 83 P C 1.474 178.780 177.300 0.010 0.000 1.163 83 P CA 2.019 65.003 63.100 -0.193 0.000 0.894 83 P CB -0.150 31.393 31.700 -0.262 0.000 0.791 84 G N -0.036 108.877 108.800 0.188 0.000 2.529 84 G HA2 -0.355 3.610 3.960 0.008 0.000 0.219 84 G HA3 -0.355 3.610 3.960 0.008 0.000 0.219 84 G C 1.629 176.686 174.900 0.261 0.000 1.177 84 G CA 1.228 46.489 45.100 0.267 0.000 0.773 84 G HN 0.343 nan 8.290 nan 0.000 0.573 85 E N 0.569 120.966 120.200 0.328 0.000 2.085 85 E HA -0.100 4.255 4.350 0.008 0.000 0.194 85 E C 2.707 179.441 176.600 0.223 0.000 0.994 85 E CA 1.103 57.659 56.400 0.259 0.000 0.801 85 E CB -0.303 29.492 29.700 0.158 0.000 0.743 85 E HN 0.368 nan 8.360 nan 0.000 0.453 86 A N 0.851 123.746 122.820 0.125 0.000 2.067 86 A HA -0.008 4.317 4.320 0.008 0.000 0.219 86 A C 2.294 179.902 177.584 0.041 0.000 1.158 86 A CA 1.401 53.475 52.037 0.063 0.000 0.661 86 A CB -0.537 18.463 19.000 0.001 0.000 0.801 86 A HN 0.427 nan 8.150 nan 0.000 0.452 87 A N -0.041 122.787 122.820 0.012 0.000 1.865 87 A HA -0.192 4.133 4.320 0.008 0.000 0.217 87 A C 1.896 179.419 177.584 -0.101 0.000 1.191 87 A CA 1.963 53.944 52.037 -0.092 0.000 0.623 87 A CB -1.002 17.879 19.000 -0.198 0.000 0.826 87 A HN 0.666 nan 8.150 nan 0.000 0.444 88 H N -0.774 118.304 119.070 0.012 0.000 2.319 88 H HA -0.022 4.535 4.556 0.001 0.000 0.299 88 H C 2.134 177.465 175.328 0.006 0.000 1.092 88 H CA 1.481 57.534 56.048 0.009 0.000 1.302 88 H CB -0.365 29.403 29.762 0.010 0.000 1.373 88 H HN 0.497 nan 8.280 nan 0.000 0.497 89 G N -0.280 108.602 108.800 0.136 0.000 3.124 89 G HA2 -0.074 3.890 3.960 0.008 0.000 0.212 89 G HA3 -0.074 3.890 3.960 0.008 0.000 0.212 89 G C -0.352 174.571 174.900 0.039 0.000 1.181 89 G CA 0.305 45.449 45.100 0.074 0.000 0.803 89 G HN 0.307 nan 8.290 nan 0.000 0.529 90 D N -0.012 120.401 120.400 0.022 0.000 2.782 90 D HA -0.183 4.462 4.640 0.008 0.000 0.231 90 D C 1.080 177.379 176.300 -0.001 0.000 1.163 90 D CA 0.830 54.829 54.000 -0.001 0.000 0.680 90 D CB -1.063 39.735 40.800 -0.004 0.000 1.062 90 D HN 0.390 nan 8.370 nan 0.000 0.425 91 L N -2.469 118.759 121.223 0.009 0.000 3.610 91 L HA -0.176 4.168 4.340 0.008 0.000 0.425 91 L C 1.866 178.749 176.870 0.021 0.000 1.254 91 L CA 0.642 55.487 54.840 0.008 0.000 0.874 91 L CB -1.866 40.186 42.059 -0.011 0.000 1.932 91 L HN 0.404 nan 8.230 nan 0.000 0.790 92 G N -0.277 108.541 108.800 0.030 0.000 2.498 92 G HA2 -0.163 3.802 3.960 0.008 0.000 0.219 92 G HA3 -0.163 3.802 3.960 0.008 0.000 0.219 92 G C 1.238 176.164 174.900 0.044 0.000 1.119 92 G CA 0.996 46.114 45.100 0.031 0.000 0.766 92 G HN 0.467 nan 8.290 nan 0.000 0.552 93 M N 0.673 120.314 119.600 0.068 0.000 2.236 93 M HA 0.153 4.638 4.480 0.008 0.000 0.266 93 M C 1.289 177.675 176.300 0.143 0.000 1.070 93 M CA 0.186 55.560 55.300 0.123 0.000 1.137 93 M CB -0.825 31.905 32.600 0.217 0.000 1.378 93 M HN 0.026 nan 8.290 nan 0.000 0.426 94 V N -0.407 119.559 119.914 0.086 0.000 2.607 94 V HA 0.724 4.849 4.120 0.008 0.000 0.289 94 V C 0.101 176.220 176.094 0.041 0.000 1.053 94 V CA -0.591 61.743 62.300 0.057 0.000 0.996 94 V CB 0.642 32.468 31.823 0.006 0.000 0.995 94 V HN 0.489 nan 8.190 nan 0.000 0.476 95 T N 1.293 115.872 114.554 0.041 0.000 2.883 95 T HA 0.645 5.000 4.350 0.008 0.000 0.284 95 T C -2.245 172.472 174.700 0.029 0.000 1.041 95 T CA -1.883 60.236 62.100 0.033 0.000 1.007 95 T CB 1.660 70.550 68.868 0.036 0.000 1.220 95 T HN 0.403 nan 8.240 nan 0.000 0.552 96 P HA 0.044 nan 4.420 nan 0.000 0.225 96 P C 1.110 178.435 177.300 0.041 0.000 1.148 96 P CA 0.700 63.831 63.100 0.052 0.000 0.779 96 P CB 0.081 31.824 31.700 0.071 0.000 0.780 97 Q N -0.678 119.143 119.800 0.034 0.000 2.403 97 Q HA 0.053 4.398 4.340 0.008 0.000 0.203 97 Q C 0.021 176.035 176.000 0.024 0.000 0.932 97 Q CA 0.454 56.274 55.803 0.029 0.000 0.945 97 Q CB -0.289 28.466 28.738 0.028 0.000 1.045 97 Q HN 0.199 nan 8.270 nan 0.000 0.511 98 D N -1.366 119.045 120.400 0.018 0.000 2.384 98 D HA 0.406 5.051 4.640 0.008 0.000 0.250 98 D C -0.827 175.459 176.300 -0.024 0.000 1.029 98 D CA -0.545 53.453 54.000 -0.003 0.000 0.990 98 D CB 1.864 42.664 40.800 -0.001 0.000 1.175 98 D HN -0.253 nan 8.370 nan 0.000 0.532 99 V N 0.898 120.775 119.914 -0.062 0.000 2.588 99 V HA 0.337 4.462 4.120 0.008 0.000 0.304 99 V C -0.151 175.874 176.094 -0.115 0.000 1.042 99 V CA -0.814 61.440 62.300 -0.077 0.000 0.877 99 V CB 2.082 33.852 31.823 -0.089 0.000 0.996 99 V HN 0.241 nan 8.190 nan 0.000 0.425 100 V N 5.831 125.687 119.914 -0.096 0.000 2.435 100 V HA 0.517 4.642 4.120 0.008 0.000 0.290 100 V C -0.202 175.836 176.094 -0.093 0.000 1.030 100 V CA -0.410 61.822 62.300 -0.113 0.000 0.881 100 V CB 1.839 33.605 31.823 -0.096 0.000 0.983 100 V HN 0.674 nan 8.190 nan 0.000 0.445 101 I N 4.382 124.896 120.570 -0.093 0.000 2.390 101 I HA 0.567 4.742 4.170 0.008 0.000 0.283 101 I C 0.318 176.408 176.117 -0.044 0.000 1.016 101 I CA -0.455 60.816 61.300 -0.049 0.000 1.151 101 I CB 1.558 39.560 38.000 0.004 0.000 1.293 101 I HN 0.654 nan 8.210 nan 0.000 0.458 102 A N 8.292 131.086 122.820 -0.043 0.000 2.252 102 A HA 0.706 5.031 4.320 0.008 0.000 0.309 102 A C -0.336 177.235 177.584 -0.022 0.000 1.285 102 A CA -0.374 51.637 52.037 -0.042 0.000 0.900 102 A CB 0.261 19.233 19.000 -0.046 0.000 1.157 102 A HN 0.704 nan 8.150 nan 0.000 0.536 103 I N 2.360 122.927 120.570 -0.006 0.000 2.321 103 I HA 0.474 4.649 4.170 0.008 0.000 0.291 103 I C 0.333 176.448 176.117 -0.003 0.000 0.998 103 I CA -0.103 61.199 61.300 0.004 0.000 1.227 103 I CB 1.689 39.710 38.000 0.034 0.000 1.368 103 I HN 0.565 nan 8.210 nan 0.000 0.466 104 S N 4.710 120.406 115.700 -0.007 0.000 2.481 104 S HA 0.155 4.630 4.470 0.008 0.000 0.262 104 S C 0.278 174.878 174.600 0.001 0.000 1.061 104 S CA -0.708 57.490 58.200 -0.004 0.000 1.039 104 S CB 0.724 63.920 63.200 -0.006 0.000 1.170 104 S HN 0.680 nan 8.310 nan 0.000 0.437 105 N N 3.229 121.930 118.700 0.001 0.000 2.084 105 N HA -0.111 4.634 4.740 0.008 0.000 0.190 105 N C 1.903 177.418 175.510 0.008 0.000 1.030 105 N CA 2.242 55.293 53.050 0.001 0.000 0.849 105 N CB -0.290 38.198 38.487 0.001 0.000 1.012 105 N HN 0.596 nan 8.380 nan 0.000 0.423 106 S N -0.984 114.720 115.700 0.007 0.000 2.359 106 S HA -0.073 4.401 4.470 0.008 0.000 0.224 106 S C 1.403 176.009 174.600 0.011 0.000 1.035 106 S CA 2.273 60.477 58.200 0.007 0.000 1.018 106 S CB -0.901 62.302 63.200 0.005 0.000 0.876 106 S HN 0.746 nan 8.310 nan 0.000 0.448 107 G N 0.152 108.960 108.800 0.014 0.000 2.159 107 G HA2 -0.172 3.793 3.960 0.008 0.000 0.256 107 G HA3 -0.172 3.793 3.960 0.008 0.000 0.256 107 G C 0.228 175.133 174.900 0.008 0.000 0.977 107 G CA 0.594 45.707 45.100 0.022 0.000 0.652 107 G HN 0.571 nan 8.290 nan 0.000 0.531 108 E N 0.271 120.472 120.200 0.002 0.000 2.876 108 E HA 0.163 4.517 4.350 0.008 0.000 0.208 108 E C 0.767 177.364 176.600 -0.006 0.000 0.981 108 E CA 0.535 56.933 56.400 -0.003 0.000 1.174 108 E CB 0.429 30.127 29.700 -0.003 0.000 1.047 108 E HN 0.791 nan 8.360 nan 0.000 0.477 109 S N 0.759 116.454 115.700 -0.008 0.000 2.546 109 S HA -0.002 4.473 4.470 0.008 0.000 0.290 109 S C 1.580 176.170 174.600 -0.017 0.000 1.262 109 S CA 0.325 58.517 58.200 -0.013 0.000 1.083 109 S CB 1.118 64.305 63.200 -0.022 0.000 0.859 109 S HN 0.177 nan 8.310 nan 0.000 0.495 110 S N 3.120 118.812 115.700 -0.013 0.000 2.359 110 S HA -0.235 4.240 4.470 0.008 0.000 0.224 110 S C 1.360 175.945 174.600 -0.024 0.000 1.035 110 S CA 1.293 59.484 58.200 -0.015 0.000 1.018 110 S CB -0.760 62.434 63.200 -0.009 0.000 0.876 110 S HN 0.797 nan 8.310 nan 0.000 0.448 111 E N 1.981 122.166 120.200 -0.025 0.000 2.033 111 E HA -0.068 4.287 4.350 0.008 0.000 0.199 111 E C 2.075 178.645 176.600 -0.051 0.000 1.011 111 E CA 1.703 58.081 56.400 -0.036 0.000 0.815 111 E CB -0.686 28.991 29.700 -0.039 0.000 0.755 111 E HN 0.613 nan 8.360 nan 0.000 0.451 112 I N 0.787 121.322 120.570 -0.058 0.000 2.286 112 I HA -0.262 3.912 4.170 0.008 0.000 0.248 112 I C 2.087 178.177 176.117 -0.045 0.000 1.115 112 I CA 1.291 62.554 61.300 -0.061 0.000 1.392 112 I CB -0.533 37.431 38.000 -0.060 0.000 1.065 112 I HN 0.140 nan 8.210 nan 0.000 0.418 113 T N 0.895 115.429 114.554 -0.035 0.000 2.759 113 T HA -0.188 4.166 4.350 0.008 0.000 0.269 113 T C 2.036 176.717 174.700 -0.032 0.000 1.042 113 T CA 1.539 63.623 62.100 -0.028 0.000 1.140 113 T CB -0.242 68.613 68.868 -0.022 0.000 0.864 113 T HN 0.516 nan 8.240 nan 0.000 0.455 114 A N 1.028 123.826 122.820 -0.036 0.000 1.969 114 A HA 0.090 4.415 4.320 0.008 0.000 0.218 114 A C 2.191 179.749 177.584 -0.043 0.000 1.169 114 A CA 0.957 52.971 52.037 -0.039 0.000 0.635 114 A CB -0.643 18.330 19.000 -0.045 0.000 0.810 114 A HN 0.498 nan 8.150 nan 0.000 0.445 115 L N -0.369 120.826 121.223 -0.047 0.000 2.376 115 L HA -0.076 4.269 4.340 0.008 0.000 0.219 115 L C 2.172 179.014 176.870 -0.047 0.000 1.133 115 L CA 0.335 55.145 54.840 -0.050 0.000 0.816 115 L CB -0.514 41.510 42.059 -0.059 0.000 0.933 115 L HN 0.411 nan 8.230 nan 0.000 0.449 116 I N 0.600 121.145 120.570 -0.041 0.000 2.076 116 I HA -0.215 3.960 4.170 0.008 0.000 0.237 116 I C -0.130 175.963 176.117 -0.040 0.000 1.059 116 I CA 1.581 62.859 61.300 -0.037 0.000 1.317 116 I CB -1.637 36.346 38.000 -0.028 0.000 1.037 116 I HN 0.187 nan 8.210 nan 0.000 0.398 117 P HA -0.155 nan 4.420 nan 0.000 0.216 117 P C 1.973 179.241 177.300 -0.054 0.000 1.157 117 P CA 1.431 64.506 63.100 -0.041 0.000 0.880 117 P CB -0.066 31.613 31.700 -0.036 0.000 0.791 118 V N -1.015 118.868 119.914 -0.051 0.000 2.343 118 V HA -0.217 3.908 4.120 0.008 0.000 0.247 118 V C 2.434 178.487 176.094 -0.068 0.000 1.051 118 V CA 1.521 63.787 62.300 -0.057 0.000 1.036 118 V CB -1.232 30.563 31.823 -0.046 0.000 0.654 118 V HN 0.037 nan 8.190 nan 0.000 0.451 119 L N -0.128 121.059 121.223 -0.060 0.000 2.046 119 L HA -0.142 4.203 4.340 0.008 0.000 0.208 119 L C 2.426 179.252 176.870 -0.074 0.000 1.077 119 L CA 1.924 56.728 54.840 -0.060 0.000 0.747 119 L CB -0.692 41.337 42.059 -0.050 0.000 0.896 119 L HN 0.240 nan 8.230 nan 0.000 0.432 120 K N -1.136 119.220 120.400 -0.074 0.000 2.097 120 K HA -0.147 4.177 4.320 0.008 0.000 0.206 120 K C 2.092 178.579 176.600 -0.189 0.000 1.049 120 K CA 1.019 57.256 56.287 -0.085 0.000 0.933 120 K CB -0.192 32.276 32.500 -0.053 0.000 0.717 120 K HN 0.162 nan 8.250 nan 0.000 0.442 121 R N 0.872 121.257 120.500 -0.190 0.000 2.339 121 R HA 0.018 4.363 4.340 0.008 0.000 0.199 121 R C 1.345 177.415 176.300 -0.384 0.000 1.018 121 R CA 0.373 56.308 56.100 -0.274 0.000 1.036 121 R CB 0.092 30.303 30.300 -0.147 0.000 0.899 121 R HN 0.187 nan 8.270 nan 0.000 0.473 122 L N -1.787 119.249 121.223 -0.310 0.000 2.638 122 L HA 0.137 4.482 4.340 0.008 0.000 0.232 122 L C -0.202 176.583 176.870 -0.141 0.000 1.099 122 L CA 0.106 54.825 54.840 -0.202 0.000 0.883 122 L CB 0.208 42.220 42.059 -0.078 0.000 1.136 122 L HN 0.347 nan 8.230 nan 0.000 0.492 123 H N -2.068 116.998 119.070 -0.006 0.000 2.903 123 H HA -0.112 4.450 4.556 0.011 0.000 0.285 123 H C -0.357 174.968 175.328 -0.006 0.000 1.231 123 H CA -0.093 55.952 56.048 -0.005 0.000 1.135 123 H CB -1.958 27.801 29.762 -0.004 0.000 1.328 123 H HN 0.021 nan 8.280 nan 0.000 0.388 124 V N 1.106 121.051 119.914 0.051 0.000 2.407 124 V HA 0.260 4.384 4.120 0.008 0.000 0.278 124 V C -1.690 174.413 176.094 0.016 0.000 1.037 124 V CA -1.716 60.600 62.300 0.027 0.000 0.900 124 V CB 1.310 33.131 31.823 -0.004 0.000 0.983 124 V HN 0.019 nan 8.190 nan 0.000 0.459 125 P HA 0.121 nan 4.420 nan 0.000 0.262 125 P C -0.758 176.535 177.300 -0.012 0.000 1.199 125 P CA -0.132 62.974 63.100 0.009 0.000 0.763 125 P CB 0.350 32.057 31.700 0.011 0.000 0.790 126 L N 6.040 127.258 121.223 -0.008 0.000 2.265 126 L HA 0.447 4.791 4.340 0.008 0.000 0.289 126 L C -0.817 176.045 176.870 -0.013 0.000 1.033 126 L CA -0.246 54.583 54.840 -0.018 0.000 0.814 126 L CB 0.177 42.229 42.059 -0.013 0.000 1.203 126 L HN 0.248 nan 8.230 nan 0.000 0.423 127 I N 4.636 125.189 120.570 -0.028 0.000 2.377 127 I HA 0.399 4.574 4.170 0.008 0.000 0.293 127 I C -0.722 175.375 176.117 -0.032 0.000 0.987 127 I CA -0.489 60.793 61.300 -0.029 0.000 1.185 127 I CB 1.556 39.527 38.000 -0.048 0.000 1.341 127 I HN 0.538 nan 8.210 nan 0.000 0.455 128 C N 6.720 125.999 119.300 -0.035 0.000 2.455 128 C HA 0.560 5.024 4.460 0.008 0.000 0.320 128 C C 0.090 174.984 174.990 -0.159 0.000 1.226 128 C CA -0.643 58.347 59.018 -0.047 0.000 1.569 128 C CB 0.990 28.751 27.740 0.036 0.000 2.200 128 C HN 0.542 nan 8.230 nan 0.000 0.491 129 I N 3.590 124.084 120.570 -0.126 0.000 2.371 129 I HA 0.373 4.547 4.170 0.008 0.000 0.282 129 I C 0.068 176.104 176.117 -0.134 0.000 1.031 129 I CA 0.518 61.716 61.300 -0.170 0.000 1.180 129 I CB 0.757 38.711 38.000 -0.078 0.000 1.336 129 I HN 0.668 nan 8.210 nan 0.000 0.467 130 T N 2.874 117.310 114.554 -0.195 0.000 2.887 130 T HA 0.412 4.767 4.350 0.008 0.000 0.292 130 T C 0.799 175.489 174.700 -0.017 0.000 1.087 130 T CA -0.535 61.559 62.100 -0.011 0.000 1.009 130 T CB 1.985 70.972 68.868 0.198 0.000 1.203 130 T HN 0.621 nan 8.240 nan 0.000 0.518 131 G N 0.176 108.978 108.800 0.004 0.000 3.434 131 G HA2 0.333 4.298 3.960 0.008 0.000 0.258 131 G HA3 0.333 4.298 3.960 0.008 0.000 0.258 131 G C 0.257 175.159 174.900 0.002 0.000 1.128 131 G CA -0.194 44.886 45.100 -0.033 0.000 0.792 131 G HN 0.372 nan 8.290 nan 0.000 0.539 132 R N 0.297 120.829 120.500 0.054 0.000 2.575 132 R HA 0.418 4.763 4.340 0.008 0.000 0.292 132 R C -2.151 174.109 176.300 -0.066 0.000 1.246 132 R CA -1.598 54.507 56.100 0.009 0.000 0.973 132 R CB 1.896 32.198 30.300 0.003 0.000 1.187 132 R HN -0.133 nan 8.270 nan 0.000 0.478 133 P HA -0.110 nan 4.420 nan 0.000 0.222 133 P C -0.083 177.039 177.300 -0.297 0.000 1.147 133 P CA 1.004 63.879 63.100 -0.375 0.000 0.790 133 P CB 0.437 32.044 31.700 -0.155 0.000 0.780 134 E N -0.489 119.622 120.200 -0.149 0.000 2.444 134 E HA 0.079 4.434 4.350 0.008 0.000 0.191 134 E C 0.529 177.081 176.600 -0.079 0.000 1.041 134 E CA 0.131 56.471 56.400 -0.099 0.000 0.883 134 E CB -0.238 29.428 29.700 -0.056 0.000 1.024 134 E HN 0.313 nan 8.360 nan 0.000 0.470 135 S N -0.329 115.317 115.700 -0.090 0.000 2.614 135 S HA 0.219 4.694 4.470 0.008 0.000 0.265 135 S C 1.389 175.968 174.600 -0.035 0.000 1.303 135 S CA -0.509 57.666 58.200 -0.042 0.000 1.000 135 S CB 1.784 64.979 63.200 -0.008 0.000 0.935 135 S HN -0.078 nan 8.310 nan 0.000 0.551 136 S N 1.422 117.112 115.700 -0.017 0.000 2.353 136 S HA -0.156 4.319 4.470 0.008 0.000 0.222 136 S C 2.015 176.613 174.600 -0.003 0.000 1.035 136 S CA 1.925 60.117 58.200 -0.013 0.000 1.025 136 S CB -0.671 62.523 63.200 -0.010 0.000 0.902 136 S HN 0.852 nan 8.310 nan 0.000 0.440 137 M N 0.611 120.217 119.600 0.011 0.000 2.476 137 M HA 0.236 4.720 4.480 0.008 0.000 0.262 137 M C 2.060 178.403 176.300 0.072 0.000 1.079 137 M CA 1.083 56.400 55.300 0.028 0.000 1.104 137 M CB -0.577 32.037 32.600 0.024 0.000 1.409 137 M HN 0.235 nan 8.290 nan 0.000 0.467 138 A N 1.277 124.140 122.820 0.071 0.000 1.897 138 A HA -0.042 4.283 4.320 0.008 0.000 0.215 138 A C 2.251 179.822 177.584 -0.021 0.000 1.181 138 A CA 1.218 53.295 52.037 0.066 0.000 0.620 138 A CB -0.380 18.434 19.000 -0.309 0.000 0.821 138 A HN 0.345 nan 8.150 nan 0.000 0.443 139 R N 0.058 120.534 120.500 -0.040 0.000 2.070 139 R HA 0.033 4.378 4.340 0.008 0.000 0.232 139 R C 2.233 178.532 176.300 -0.002 0.000 1.138 139 R CA 1.699 57.782 56.100 -0.028 0.000 0.936 139 R CB -1.149 29.134 30.300 -0.029 0.000 0.839 139 R HN 0.438 nan 8.270 nan 0.000 0.429 140 A N 0.006 122.828 122.820 0.003 0.000 2.209 140 A HA 0.314 4.639 4.320 0.008 0.000 0.212 140 A C 0.939 178.532 177.584 0.014 0.000 1.158 140 A CA 0.730 52.770 52.037 0.005 0.000 0.742 140 A CB -0.583 18.416 19.000 -0.002 0.000 0.790 140 A HN 0.349 nan 8.150 nan 0.000 0.472 141 A N -0.398 122.440 122.820 0.031 0.000 2.332 141 A HA 0.359 4.684 4.320 0.008 0.000 0.258 141 A C 0.713 178.320 177.584 0.038 0.000 1.087 141 A CA 0.014 52.074 52.037 0.039 0.000 0.802 141 A CB 0.287 19.329 19.000 0.070 0.000 1.042 141 A HN 0.357 nan 8.150 nan 0.000 0.489 142 D N -0.668 119.750 120.400 0.030 0.000 2.213 142 D HA 0.072 4.717 4.640 0.008 0.000 0.205 142 D C -0.347 175.978 176.300 0.041 0.000 0.961 142 D CA 1.460 55.479 54.000 0.031 0.000 0.853 142 D CB 0.362 41.176 40.800 0.024 0.000 0.967 142 D HN 0.180 nan 8.370 nan 0.000 0.496 143 V N 1.054 120.995 119.914 0.045 0.000 2.555 143 V HA 0.054 4.179 4.120 0.008 0.000 0.283 143 V C -0.850 175.286 176.094 0.070 0.000 1.020 143 V CA -0.807 61.526 62.300 0.055 0.000 0.883 143 V CB 1.615 33.453 31.823 0.025 0.000 1.030 143 V HN 0.105 nan 8.190 nan 0.000 0.448 144 H N 4.943 124.021 119.070 0.015 0.000 2.742 144 H HA 0.579 5.139 4.556 0.007 0.000 0.302 144 H C -0.783 174.559 175.328 0.024 0.000 1.069 144 H CA -0.253 55.801 56.048 0.011 0.000 1.446 144 H CB 1.199 30.964 29.762 0.005 0.000 1.462 144 H HN 0.523 nan 8.280 nan 0.000 0.499 145 L N 7.111 128.079 121.223 -0.424 0.000 2.277 145 L HA 0.238 4.582 4.340 0.008 0.000 0.284 145 L C -0.740 175.862 176.870 -0.447 0.000 1.028 145 L CA -0.358 54.331 54.840 -0.252 0.000 0.835 145 L CB 0.227 42.224 42.059 -0.103 0.000 1.215 145 L HN 0.810 nan 8.230 nan 0.000 0.425 146 C N 5.137 124.280 119.300 -0.262 0.000 2.527 146 C HA 0.589 5.053 4.460 0.008 0.000 0.396 146 C C 1.000 175.712 174.990 -0.464 0.000 1.289 146 C CA -0.216 58.610 59.018 -0.320 0.000 2.047 146 C CB 0.023 27.621 27.740 -0.236 0.000 2.568 146 C HN 0.742 nan 8.230 nan 0.000 0.573 147 V N 3.628 123.290 119.914 -0.420 0.000 2.864 147 V HA 0.343 4.467 4.120 0.008 0.000 0.378 147 V C 0.018 175.964 176.094 -0.248 0.000 1.346 147 V CA -0.533 61.586 62.300 -0.303 0.000 1.328 147 V CB -0.830 30.920 31.823 -0.122 0.000 1.361 147 V HN 0.908 nan 8.190 nan 0.000 0.641 148 K N 2.030 122.192 120.400 -0.397 0.000 2.382 148 K HA 0.536 4.861 4.320 0.008 0.000 0.275 148 K C -0.296 176.310 176.600 0.010 0.000 1.009 148 K CA 0.227 56.429 56.287 -0.142 0.000 0.970 148 K CB 1.596 34.038 32.500 -0.097 0.000 0.934 148 K HN 0.777 nan 8.250 nan 0.000 0.479 149 V N 0.643 120.573 119.914 0.028 0.000 2.656 149 V HA 0.588 4.713 4.120 0.008 0.000 0.307 149 V C 0.528 176.650 176.094 0.047 0.000 1.051 149 V CA -0.257 62.075 62.300 0.053 0.000 0.893 149 V CB 1.257 33.100 31.823 0.033 0.000 0.999 149 V HN 0.896 nan 8.190 nan 0.000 0.426 150 A N 3.067 125.918 122.820 0.052 0.000 1.975 150 A HA 0.241 4.566 4.320 0.008 0.000 0.215 150 A C 1.100 178.699 177.584 0.026 0.000 1.170 150 A CA 1.050 53.111 52.037 0.040 0.000 0.656 150 A CB -0.043 18.982 19.000 0.040 0.000 0.821 150 A HN 0.854 nan 8.150 nan 0.000 0.449 151 K N 0.827 121.241 120.400 0.023 0.000 2.378 151 K HA 0.346 4.671 4.320 0.008 0.000 0.252 151 K C -1.268 175.339 176.600 0.011 0.000 0.931 151 K CA -0.596 55.700 56.287 0.014 0.000 0.794 151 K CB 1.139 33.646 32.500 0.012 0.000 1.181 151 K HN 0.089 nan 8.250 nan 0.000 0.425 152 E N 2.069 122.273 120.200 0.007 0.000 2.249 152 E HA 0.191 4.545 4.350 0.008 0.000 0.280 152 E C 0.151 176.751 176.600 -0.000 0.000 1.016 152 E CA -0.135 56.268 56.400 0.004 0.000 0.830 152 E CB 1.829 31.530 29.700 0.003 0.000 1.081 152 E HN 0.784 nan 8.360 nan 0.000 0.395 153 A N 2.375 125.194 122.820 -0.002 0.000 2.067 153 A HA -0.040 4.285 4.320 0.008 0.000 0.217 153 A C 1.085 178.662 177.584 -0.013 0.000 1.156 153 A CA 0.189 52.222 52.037 -0.007 0.000 0.683 153 A CB 0.185 19.180 19.000 -0.008 0.000 0.808 153 A HN 0.554 nan 8.150 nan 0.000 0.455 154 C N 0.553 119.847 119.300 -0.011 0.000 2.369 154 C HA 0.541 5.005 4.460 0.008 0.000 0.358 154 C C -0.779 174.203 174.990 -0.013 0.000 1.274 154 C CA -1.685 57.324 59.018 -0.015 0.000 1.935 154 C CB 0.551 28.284 27.740 -0.012 0.000 2.431 154 C HN 0.415 nan 8.230 nan 0.000 0.545 155 P HA -0.092 nan 4.420 nan 0.000 0.215 155 P C 0.802 178.096 177.300 -0.011 0.000 1.157 155 P CA 1.632 64.722 63.100 -0.016 0.000 0.874 155 P CB 0.069 31.755 31.700 -0.022 0.000 0.790 156 L N -2.637 118.579 121.223 -0.011 0.000 2.700 156 L HA 0.353 4.698 4.340 0.008 0.000 0.234 156 L C 1.140 178.008 176.870 -0.004 0.000 1.156 156 L CA 0.220 55.056 54.840 -0.007 0.000 0.946 156 L CB -0.768 41.287 42.059 -0.007 0.000 1.216 156 L HN 0.100 nan 8.230 nan 0.000 0.493 157 G N 0.913 109.711 108.800 -0.004 0.000 2.321 157 G HA2 -0.304 3.661 3.960 0.008 0.000 0.287 157 G HA3 -0.304 3.661 3.960 0.008 0.000 0.287 157 G C 0.874 175.775 174.900 0.001 0.000 1.018 157 G CA 0.503 45.602 45.100 -0.000 0.000 0.855 157 G HN 0.405 nan 8.290 nan 0.000 0.507 158 L N -1.091 120.132 121.223 -0.001 0.000 2.201 158 L HA 0.312 4.656 4.340 0.008 0.000 0.212 158 L C 1.635 178.508 176.870 0.005 0.000 1.105 158 L CA 1.336 56.177 54.840 0.002 0.000 0.775 158 L CB -0.217 41.841 42.059 -0.002 0.000 0.913 158 L HN 0.656 nan 8.230 nan 0.000 0.440 159 A N -0.349 122.472 122.820 0.003 0.000 2.459 159 A HA 0.632 4.956 4.320 0.008 0.000 0.296 159 A C -2.548 175.040 177.584 0.006 0.000 1.039 159 A CA -1.163 50.879 52.037 0.007 0.000 0.698 159 A CB 0.882 19.883 19.000 0.002 0.000 1.261 159 A HN -0.189 nan 8.150 nan 0.000 0.405 160 P HA 0.303 nan 4.420 nan 0.000 0.269 160 P C 0.090 177.393 177.300 0.006 0.000 1.209 160 P CA 0.297 63.403 63.100 0.010 0.000 0.776 160 P CB 1.180 32.889 31.700 0.016 0.000 0.876 161 T N -0.380 114.176 114.554 0.004 0.000 3.431 161 T HA 0.022 4.376 4.350 0.008 0.000 0.207 161 T C 1.851 176.553 174.700 0.003 0.000 0.979 161 T CA 0.345 62.445 62.100 0.001 0.000 1.141 161 T CB -0.774 68.092 68.868 -0.003 0.000 1.278 161 T HN 0.242 nan 8.240 nan 0.000 0.334 162 S N 2.806 118.509 115.700 0.005 0.000 2.368 162 S HA -0.134 4.341 4.470 0.008 0.000 0.225 162 S C 2.466 177.072 174.600 0.009 0.000 1.030 162 S CA 1.733 59.938 58.200 0.009 0.000 0.999 162 S CB -0.556 62.652 63.200 0.013 0.000 0.844 162 S HN 0.687 nan 8.310 nan 0.000 0.459 163 S N 0.880 116.584 115.700 0.007 0.000 2.383 163 S HA -0.110 4.364 4.470 0.008 0.000 0.227 163 S C 1.900 176.501 174.600 0.001 0.000 1.026 163 S CA 1.611 59.812 58.200 0.002 0.000 0.981 163 S CB -0.964 62.236 63.200 0.000 0.000 0.818 163 S HN 0.438 nan 8.310 nan 0.000 0.472 164 T N 1.347 115.904 114.554 0.005 0.000 2.857 164 T HA -0.022 4.333 4.350 0.008 0.000 0.266 164 T C 1.758 176.460 174.700 0.002 0.000 1.048 164 T CA 1.857 63.961 62.100 0.006 0.000 1.139 164 T CB -0.854 68.021 68.868 0.011 0.000 0.874 164 T HN 0.624 nan 8.240 nan 0.000 0.455 165 T N 1.307 115.862 114.554 0.002 0.000 2.942 165 T HA 0.203 4.558 4.350 0.008 0.000 0.265 165 T C 2.235 176.937 174.700 0.004 0.000 1.062 165 T CA 0.881 62.982 62.100 0.001 0.000 1.139 165 T CB -0.377 68.491 68.868 0.001 0.000 0.883 165 T HN 0.396 nan 8.240 nan 0.000 0.468 166 A N 1.538 124.363 122.820 0.009 0.000 1.930 166 A HA -0.093 4.232 4.320 0.008 0.000 0.217 166 A C 2.512 180.103 177.584 0.012 0.000 1.175 166 A CA 1.843 53.890 52.037 0.017 0.000 0.627 166 A CB -1.163 17.850 19.000 0.021 0.000 0.815 166 A HN 0.446 nan 8.150 nan 0.000 0.443 167 T N 0.179 114.734 114.554 0.001 0.000 2.746 167 T HA -0.129 4.226 4.350 0.008 0.000 0.267 167 T C 1.836 176.534 174.700 -0.004 0.000 1.039 167 T CA 1.457 63.556 62.100 -0.002 0.000 1.142 167 T CB -0.384 68.480 68.868 -0.007 0.000 0.866 167 T HN 0.311 nan 8.240 nan 0.000 0.444 168 L N 1.479 122.696 121.223 -0.011 0.000 1.989 168 L HA -0.073 4.272 4.340 0.008 0.000 0.211 168 L C 2.452 179.308 176.870 -0.024 0.000 1.071 168 L CA 1.661 56.485 54.840 -0.026 0.000 0.749 168 L CB -0.848 41.196 42.059 -0.024 0.000 0.890 168 L HN 0.086 nan 8.230 nan 0.000 0.431 169 V N -0.582 119.329 119.914 -0.005 0.000 2.295 169 V HA -0.320 3.805 4.120 0.008 0.000 0.246 169 V C 2.566 178.679 176.094 0.031 0.000 1.049 169 V CA 1.948 64.251 62.300 0.006 0.000 1.024 169 V CB -0.703 31.126 31.823 0.011 0.000 0.648 169 V HN 0.628 nan 8.190 nan 0.000 0.447 170 M N 1.575 121.205 119.600 0.049 0.000 2.195 170 M HA -0.103 4.381 4.480 0.008 0.000 0.260 170 M C 1.804 178.177 176.300 0.121 0.000 1.066 170 M CA 2.208 57.572 55.300 0.108 0.000 1.089 170 M CB -1.068 31.587 32.600 0.092 0.000 1.377 170 M HN 0.271 nan 8.290 nan 0.000 0.411 171 G N -0.715 108.101 108.800 0.027 0.000 2.404 171 G HA2 -0.185 3.779 3.960 0.008 0.000 0.214 171 G HA3 -0.185 3.779 3.960 0.008 0.000 0.214 171 G C 1.156 175.988 174.900 -0.114 0.000 1.189 171 G CA 0.863 45.925 45.100 -0.063 0.000 0.789 171 G HN 0.462 nan 8.290 nan 0.000 0.533 172 D N 1.131 121.481 120.400 -0.083 0.000 2.190 172 D HA -0.073 4.572 4.640 0.008 0.000 0.200 172 D C 2.657 178.976 176.300 0.032 0.000 0.992 172 D CA 1.208 55.171 54.000 -0.061 0.000 0.854 172 D CB -0.308 40.471 40.800 -0.035 0.000 0.936 172 D HN 0.331 nan 8.370 nan 0.000 0.462 173 A N -0.122 122.765 122.820 0.111 0.000 2.014 173 A HA -0.005 4.320 4.320 0.008 0.000 0.218 173 A C 2.245 180.071 177.584 0.404 0.000 1.163 173 A CA 0.522 52.698 52.037 0.231 0.000 0.652 173 A CB -0.375 18.760 19.000 0.225 0.000 0.808 173 A HN 0.205 nan 8.150 nan 0.000 0.449 174 L N -1.178 120.220 121.223 0.291 0.000 2.162 174 L HA -0.038 4.306 4.340 0.008 0.000 0.205 174 L C 3.053 180.098 176.870 0.291 0.000 1.086 174 L CA 0.765 55.720 54.840 0.192 0.000 0.778 174 L CB -0.561 41.618 42.059 0.199 0.000 0.928 174 L HN 0.397 nan 8.230 nan 0.000 0.446 175 A N 0.606 123.589 122.820 0.272 0.000 1.841 175 A HA -0.206 4.118 4.320 0.008 0.000 0.216 175 A C 2.324 180.013 177.584 0.176 0.000 1.199 175 A CA 2.393 54.589 52.037 0.264 0.000 0.621 175 A CB -1.076 17.917 19.000 -0.011 0.000 0.835 175 A HN 0.283 nan 8.150 nan 0.000 0.445 176 V N -2.458 117.527 119.914 0.119 0.000 2.548 176 V HA 0.039 4.164 4.120 0.008 0.000 0.249 176 V C 2.518 178.679 176.094 0.111 0.000 1.055 176 V CA 1.721 64.079 62.300 0.097 0.000 1.065 176 V CB -1.446 30.418 31.823 0.069 0.000 0.681 176 V HN 0.572 nan 8.190 nan 0.000 0.462 177 A N 0.946 123.859 122.820 0.154 0.000 1.908 177 A HA -0.077 4.248 4.320 0.008 0.000 0.218 177 A C 2.260 179.907 177.584 0.105 0.000 1.181 177 A CA 2.307 54.442 52.037 0.163 0.000 0.627 177 A CB -0.715 18.468 19.000 0.305 0.000 0.818 177 A HN 0.589 nan 8.150 nan 0.000 0.445 178 L N -1.208 120.079 121.223 0.108 0.000 2.056 178 L HA -0.139 4.205 4.340 0.008 0.000 0.207 178 L C 2.535 179.480 176.870 0.125 0.000 1.078 178 L CA 0.976 55.882 54.840 0.110 0.000 0.749 178 L CB -0.515 41.607 42.059 0.104 0.000 0.901 178 L HN 0.463 nan 8.230 nan 0.000 0.433 179 L N 0.268 121.555 121.223 0.107 0.000 1.989 179 L HA -0.251 4.093 4.340 0.008 0.000 0.211 179 L C 2.485 179.400 176.870 0.075 0.000 1.071 179 L CA 1.917 56.809 54.840 0.085 0.000 0.749 179 L CB -0.515 41.588 42.059 0.074 0.000 0.890 179 L HN 0.105 nan 8.230 nan 0.000 0.431 180 K N -0.672 119.768 120.400 0.065 0.000 2.147 180 K HA -0.051 4.273 4.320 0.008 0.000 0.205 180 K C 1.950 178.571 176.600 0.036 0.000 1.049 180 K CA 1.070 57.385 56.287 0.047 0.000 0.936 180 K CB -0.335 32.190 32.500 0.041 0.000 0.722 180 K HN 0.488 nan 8.250 nan 0.000 0.446 181 A N 1.626 124.465 122.820 0.032 0.000 2.121 181 A HA -0.085 4.240 4.320 0.008 0.000 0.218 181 A C 0.906 178.530 177.584 0.066 0.000 1.154 181 A CA 0.667 52.683 52.037 -0.035 0.000 0.679 181 A CB -0.128 18.763 19.000 -0.181 0.000 0.795 181 A HN 0.156 nan 8.150 nan 0.000 0.458 182 R N -1.102 119.485 120.500 0.145 0.000 2.549 182 R HA 0.447 4.792 4.340 0.008 0.000 0.267 182 R C 1.131 177.481 176.300 0.083 0.000 1.045 182 R CA -0.153 56.040 56.100 0.155 0.000 1.115 182 R CB 0.289 30.657 30.300 0.112 0.000 1.121 182 R HN 0.287 nan 8.270 nan 0.000 0.543 183 G N 0.000 108.843 108.800 0.072 0.000 5.446 183 G HA2 0.000 3.965 3.960 0.008 0.000 0.244 183 G HA3 0.000 3.965 3.960 0.008 0.000 0.244 183 G CA 0.000 45.130 45.100 0.050 0.000 0.502 183 G HN 0.000 nan 8.290 nan 0.000 0.925