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_A 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 0.000 176.312 176.300 0.020 0.000 2.045 11 D CA 0.000 53.958 54.000 -0.070 0.000 0.868 11 D CB 0.000 40.687 40.800 -0.189 0.000 0.688 12 F N 1.806 121.755 119.950 -0.002 0.000 2.010 12 F HA -0.126 4.406 4.527 0.009 0.000 0.296 12 F C 2.745 178.544 175.800 -0.002 0.000 1.146 12 F CA 1.800 59.799 58.000 -0.002 0.000 1.181 12 F CB -0.164 38.834 39.000 -0.003 0.000 0.965 12 F HN -0.072 nan 8.300 nan 0.000 0.480 13 Q N -0.235 119.697 119.800 0.220 0.000 2.217 13 Q HA -0.328 4.018 4.340 0.010 0.000 0.209 13 Q C 1.957 178.004 176.000 0.079 0.000 0.988 13 Q CA 1.832 57.700 55.803 0.109 0.000 0.878 13 Q CB -0.342 28.443 28.738 0.077 0.000 0.909 13 Q HN 0.383 nan 8.270 nan 0.000 0.424 14 Q N 0.407 120.253 119.800 0.076 0.000 2.050 14 Q HA -0.133 4.213 4.340 0.010 0.000 0.202 14 Q C 1.893 177.925 176.000 0.055 0.000 0.980 14 Q CA 1.930 57.763 55.803 0.050 0.000 0.840 14 Q CB -0.379 28.378 28.738 0.032 0.000 0.898 14 Q HN 0.395 nan 8.270 nan 0.000 0.424 15 A N -0.615 122.254 122.820 0.082 0.000 1.968 15 A HA 0.051 4.377 4.320 0.010 0.000 0.217 15 A C 2.212 179.832 177.584 0.062 0.000 1.169 15 A CA 1.366 53.450 52.037 0.078 0.000 0.638 15 A CB -1.060 18.011 19.000 0.118 0.000 0.812 15 A HN 0.528 nan 8.150 nan 0.000 0.446 16 G N -0.089 108.749 108.800 0.064 0.000 2.402 16 G HA2 -0.185 3.781 3.960 0.010 0.000 0.216 16 G HA3 -0.185 3.781 3.960 0.010 0.000 0.216 16 G C 1.660 176.572 174.900 0.021 0.000 1.162 16 G CA 0.974 46.092 45.100 0.031 0.000 0.777 16 G HN 0.562 nan 8.290 nan 0.000 0.539 17 K N 0.201 120.616 120.400 0.026 0.000 2.155 17 K HA -0.000 4.326 4.320 0.010 0.000 0.203 17 K C 2.279 178.889 176.600 0.016 0.000 1.052 17 K CA 0.966 57.263 56.287 0.018 0.000 0.948 17 K CB -0.088 32.423 32.500 0.019 0.000 0.728 17 K HN 0.436 nan 8.250 nan 0.000 0.448 18 E N 1.049 121.262 120.200 0.021 0.000 2.058 18 E HA -0.206 4.150 4.350 0.010 0.000 0.194 18 E C 1.897 178.506 176.600 0.015 0.000 0.997 18 E CA 1.437 57.848 56.400 0.018 0.000 0.801 18 E CB 0.095 29.808 29.700 0.022 0.000 0.746 18 E HN 0.018 nan 8.360 nan 0.000 0.450 19 V N 1.325 121.249 119.914 0.016 0.000 2.287 19 V HA -0.261 3.865 4.120 0.010 0.000 0.248 19 V C 2.480 178.578 176.094 0.008 0.000 1.053 19 V CA 1.651 63.958 62.300 0.012 0.000 1.027 19 V CB -0.640 31.189 31.823 0.009 0.000 0.646 19 V HN 0.379 nan 8.190 nan 0.000 0.447 20 L N 0.984 122.211 121.223 0.006 0.000 2.042 20 L HA -0.115 4.231 4.340 0.010 0.000 0.210 20 L C 2.399 179.272 176.870 0.005 0.000 1.076 20 L CA 2.422 57.264 54.840 0.004 0.000 0.749 20 L CB -1.163 40.898 42.059 0.003 0.000 0.893 20 L HN 0.220 nan 8.230 nan 0.000 0.432 21 A N 0.094 122.919 122.820 0.007 0.000 1.835 21 A HA -0.202 4.124 4.320 0.010 0.000 0.215 21 A C 2.275 179.864 177.584 0.009 0.000 1.199 21 A CA 2.179 54.221 52.037 0.008 0.000 0.615 21 A CB -1.039 17.967 19.000 0.009 0.000 0.838 21 A HN 0.492 nan 8.150 nan 0.000 0.444 22 I N -0.170 120.407 120.570 0.010 0.000 2.143 22 I HA -0.371 3.805 4.170 0.010 0.000 0.245 22 I C 2.577 178.701 176.117 0.012 0.000 1.068 22 I CA 2.100 63.407 61.300 0.012 0.000 1.326 22 I CB -0.589 37.418 38.000 0.013 0.000 1.028 22 I HN 0.490 nan 8.210 nan 0.000 0.412 23 E N 0.413 120.619 120.200 0.010 0.000 2.047 23 E HA -0.182 4.174 4.350 0.010 0.000 0.191 23 E C 2.342 178.949 176.600 0.010 0.000 0.987 23 E CA 0.820 57.226 56.400 0.010 0.000 0.799 23 E CB -0.132 29.571 29.700 0.006 0.000 0.752 23 E HN 0.463 nan 8.360 nan 0.000 0.449 24 R N 0.847 121.352 120.500 0.008 0.000 2.127 24 R HA -0.173 4.173 4.340 0.010 0.000 0.238 24 R C 2.300 178.606 176.300 0.009 0.000 1.134 24 R CA 1.246 57.350 56.100 0.007 0.000 0.975 24 R CB -0.149 30.154 30.300 0.004 0.000 0.865 24 R HN 0.254 nan 8.270 nan 0.000 0.447 25 E N 0.063 120.270 120.200 0.011 0.000 2.107 25 E HA -0.164 4.192 4.350 0.010 0.000 0.191 25 E C 1.699 178.311 176.600 0.021 0.000 0.982 25 E CA 1.088 57.496 56.400 0.014 0.000 0.809 25 E CB 0.100 29.808 29.700 0.013 0.000 0.756 25 E HN 0.338 nan 8.360 nan 0.000 0.459 26 C N 0.530 119.845 119.300 0.025 0.000 2.457 26 C HA -0.004 4.463 4.460 0.010 0.000 0.278 26 C C 2.547 177.565 174.990 0.047 0.000 1.309 26 C CA 0.156 59.197 59.018 0.038 0.000 1.735 26 C CB -0.883 26.877 27.740 0.034 0.000 1.992 26 C HN 0.476 nan 8.230 nan 0.000 0.493 27 L N 1.267 122.509 121.223 0.032 0.000 2.046 27 L HA -0.170 4.176 4.340 0.010 0.000 0.208 27 L C 2.890 179.778 176.870 0.029 0.000 1.077 27 L CA 1.652 56.510 54.840 0.031 0.000 0.747 27 L CB -0.818 41.249 42.059 0.015 0.000 0.896 27 L HN 0.325 nan 8.230 nan 0.000 0.432 28 A N -0.508 122.323 122.820 0.018 0.000 2.076 28 A HA -0.189 4.137 4.320 0.010 0.000 0.220 28 A C 2.028 179.617 177.584 0.008 0.000 1.160 28 A CA 1.463 53.504 52.037 0.007 0.000 0.653 28 A CB -0.287 18.714 19.000 0.002 0.000 0.801 28 A HN 0.391 nan 8.150 nan 0.000 0.455 29 E N -1.016 119.204 120.200 0.033 0.000 2.442 29 E HA 0.005 4.361 4.350 0.010 0.000 0.195 29 E C 1.582 178.227 176.600 0.076 0.000 1.030 29 E CA 0.210 56.634 56.400 0.039 0.000 0.869 29 E CB -0.110 29.638 29.700 0.079 0.000 0.857 29 E HN 0.539 nan 8.360 nan 0.000 0.505 30 L N 2.213 123.506 121.223 0.117 0.000 2.240 30 L HA -0.086 4.260 4.340 0.010 0.000 0.211 30 L C 1.823 178.758 176.870 0.108 0.000 1.106 30 L CA 1.420 56.392 54.840 0.220 0.000 0.793 30 L CB -0.313 41.830 42.059 0.140 0.000 0.927 30 L HN 0.016 nan 8.230 nan 0.000 0.446 31 D N -0.483 119.919 120.400 0.002 0.000 2.265 31 D HA -0.322 4.324 4.640 0.010 0.000 0.208 31 D C 1.682 177.927 176.300 -0.091 0.000 0.977 31 D CA 1.686 55.654 54.000 -0.053 0.000 0.871 31 D CB -0.223 40.541 40.800 -0.060 0.000 0.925 31 D HN 0.748 nan 8.370 nan 0.000 0.485 32 Q N -0.518 119.188 119.800 -0.156 0.000 2.119 32 Q HA -0.188 4.158 4.340 0.010 0.000 0.201 32 Q C 1.683 177.546 176.000 -0.228 0.000 0.972 32 Q CA 1.081 56.734 55.803 -0.250 0.000 0.847 32 Q CB -0.866 27.627 28.738 -0.408 0.000 0.903 32 Q HN 0.297 nan 8.270 nan 0.000 0.433 33 Y N 1.267 121.565 120.300 -0.003 0.000 2.509 33 Y HA 0.116 4.674 4.550 0.013 0.000 0.293 33 Y C 1.112 177.026 175.900 0.023 0.000 1.133 33 Y CA 0.084 58.201 58.100 0.027 0.000 1.283 33 Y CB 0.038 38.524 38.460 0.042 0.000 1.001 33 Y HN 0.083 nan 8.280 nan 0.000 0.555 34 I N 2.470 123.071 120.570 0.051 0.000 2.848 34 I HA -0.070 4.106 4.170 0.010 0.000 0.274 34 I C 0.175 176.274 176.117 -0.030 0.000 1.049 34 I CA -0.235 60.995 61.300 -0.117 0.000 2.038 34 I CB -1.259 36.508 38.000 -0.389 0.000 1.403 34 I HN 0.292 nan 8.210 nan 0.000 0.847 35 N N 0.775 119.534 118.700 0.097 0.000 2.593 35 N HA 0.022 4.769 4.740 0.010 0.000 0.304 35 N C 0.956 176.553 175.510 0.146 0.000 1.296 35 N CA -0.554 52.550 53.050 0.089 0.000 0.950 35 N CB 0.158 38.697 38.487 0.085 0.000 1.127 35 N HN -0.012 nan 8.380 nan 0.000 0.587 36 Q N -0.405 119.459 119.800 0.106 0.000 2.197 36 Q HA -0.202 4.144 4.340 0.010 0.000 0.211 36 Q C 1.006 177.080 176.000 0.124 0.000 0.993 36 Q CA 1.904 57.770 55.803 0.104 0.000 0.883 36 Q CB -0.598 28.182 28.738 0.070 0.000 0.916 36 Q HN 0.587 nan 8.270 nan 0.000 0.418 37 N N -0.688 118.095 118.700 0.139 0.000 2.104 37 N HA -0.167 4.579 4.740 0.010 0.000 0.190 37 N C 1.367 176.959 175.510 0.137 0.000 1.024 37 N CA 1.344 54.473 53.050 0.132 0.000 0.853 37 N CB -0.620 37.960 38.487 0.156 0.000 1.008 37 N HN 0.361 nan 8.380 nan 0.000 0.424 38 F N 1.856 121.835 119.950 0.048 0.000 2.065 38 F HA -0.242 4.290 4.527 0.009 0.000 0.298 38 F C 2.314 178.128 175.800 0.024 0.000 1.112 38 F CA 1.621 59.644 58.000 0.039 0.000 1.212 38 F CB -0.734 38.292 39.000 0.043 0.000 0.975 38 F HN -0.028 nan 8.300 nan 0.000 0.476 39 T N 1.278 115.958 114.554 0.211 0.000 2.684 39 T HA -0.235 4.121 4.350 0.010 0.000 0.267 39 T C 1.850 176.535 174.700 -0.025 0.000 1.036 39 T CA 1.626 63.773 62.100 0.078 0.000 1.148 39 T CB -0.674 68.255 68.868 0.102 0.000 0.863 39 T HN 0.174 nan 8.240 nan 0.000 0.436 40 L N 1.164 122.393 121.223 0.010 0.000 2.013 40 L HA -0.078 4.268 4.340 0.010 0.000 0.212 40 L C 2.694 179.541 176.870 -0.039 0.000 1.073 40 L CA 2.042 56.883 54.840 0.002 0.000 0.753 40 L CB -1.043 41.034 42.059 0.030 0.000 0.890 40 L HN 0.266 nan 8.230 nan 0.000 0.432 41 A N -1.820 120.952 122.820 -0.080 0.000 1.902 41 A HA -0.252 4.074 4.320 0.010 0.000 0.217 41 A C 2.391 179.869 177.584 -0.177 0.000 1.181 41 A CA 1.837 53.801 52.037 -0.122 0.000 0.623 41 A CB -1.453 17.458 19.000 -0.149 0.000 0.818 41 A HN 0.610 nan 8.150 nan 0.000 0.443 42 C N -0.541 118.600 119.300 -0.265 0.000 2.419 42 C HA -0.088 4.378 4.460 0.010 0.000 0.281 42 C C 2.611 177.511 174.990 -0.150 0.000 1.336 42 C CA 1.202 60.069 59.018 -0.252 0.000 1.770 42 C CB -1.292 26.265 27.740 -0.305 0.000 1.929 42 C HN 0.669 nan 8.230 nan 0.000 0.509 43 E N 0.514 120.645 120.200 -0.115 0.000 2.076 43 E HA -0.148 4.208 4.350 0.010 0.000 0.190 43 E C 2.096 178.710 176.600 0.023 0.000 0.979 43 E CA 0.820 57.178 56.400 -0.071 0.000 0.807 43 E CB -0.088 29.606 29.700 -0.009 0.000 0.761 43 E HN 0.398 nan 8.360 nan 0.000 0.454 44 K N 0.664 121.078 120.400 0.023 0.000 2.063 44 K HA -0.098 4.228 4.320 0.010 0.000 0.208 44 K C 1.923 178.534 176.600 0.017 0.000 1.048 44 K CA 1.464 57.781 56.287 0.050 0.000 0.928 44 K CB -0.054 32.453 32.500 0.011 0.000 0.713 44 K HN 0.105 nan 8.250 nan 0.000 0.442 45 M N -1.556 118.005 119.600 -0.065 0.000 2.236 45 M HA -0.022 4.464 4.480 0.010 0.000 0.266 45 M C 1.741 177.963 176.300 -0.131 0.000 1.070 45 M CA 1.011 56.231 55.300 -0.135 0.000 1.137 45 M CB -0.194 32.256 32.600 -0.249 0.000 1.378 45 M HN 0.049 nan 8.290 nan 0.000 0.426 46 F N -0.541 119.224 119.950 -0.308 0.000 2.250 46 F HA -0.210 4.323 4.527 0.010 0.000 0.301 46 F C 1.147 176.664 175.800 -0.470 0.000 1.077 46 F CA 1.542 59.257 58.000 -0.475 0.000 1.348 46 F CB -0.024 38.555 39.000 -0.701 0.000 1.040 46 F HN 0.117 nan 8.300 nan 0.000 0.509 47 W N -1.493 119.837 121.300 0.051 0.000 3.220 47 W HA 0.235 4.901 4.660 0.010 0.000 0.328 47 W C 0.660 177.143 176.519 -0.060 0.000 1.205 47 W CA -0.693 56.649 57.345 -0.005 0.000 1.773 47 W CB -0.283 29.221 29.460 0.075 0.000 1.086 47 W HN -0.198 nan 8.180 nan 0.000 0.622 48 C N 2.959 122.314 119.300 0.092 0.000 2.633 48 C HA 0.005 4.471 4.460 0.010 0.000 0.415 48 C C 1.651 176.651 174.990 0.016 0.000 1.393 48 C CA 0.492 59.529 59.018 0.032 0.000 1.700 48 C CB 0.070 27.784 27.740 -0.043 0.000 2.541 48 C HN 0.373 nan 8.230 nan 0.000 0.603 49 K N 3.667 124.086 120.400 0.032 0.000 2.379 49 K HA 0.151 4.478 4.320 0.010 0.000 0.194 49 K C 1.409 178.016 176.600 0.011 0.000 1.031 49 K CA 0.689 56.988 56.287 0.020 0.000 1.037 49 K CB 0.408 32.923 32.500 0.025 0.000 0.824 49 K HN 0.898 nan 8.250 nan 0.000 0.516 50 G N 1.121 109.928 108.800 0.011 0.000 3.365 50 G HA2 0.183 4.149 3.960 0.010 0.000 0.185 50 G HA3 0.183 4.149 3.960 0.010 0.000 0.185 50 G C -0.467 174.445 174.900 0.021 0.000 1.565 50 G CA -0.225 44.888 45.100 0.022 0.000 0.984 50 G HN -0.111 nan 8.290 nan 0.000 0.604 51 K N 0.096 120.517 120.400 0.035 0.000 2.316 51 K HA 0.488 4.814 4.320 0.010 0.000 0.251 51 K C -1.031 175.530 176.600 -0.065 0.000 0.934 51 K CA -0.665 55.644 56.287 0.037 0.000 0.802 51 K CB 2.389 35.009 32.500 0.201 0.000 1.171 51 K HN 0.120 nan 8.250 nan 0.000 0.426 52 V N 3.346 123.189 119.914 -0.119 0.000 2.370 52 V HA 0.069 4.195 4.120 0.010 0.000 0.257 52 V C 0.090 176.034 176.094 -0.250 0.000 1.064 52 V CA -0.586 61.600 62.300 -0.191 0.000 0.975 52 V CB 0.668 32.318 31.823 -0.288 0.000 1.067 52 V HN 0.336 nan 8.190 nan 0.000 0.485 53 V N 6.957 126.688 119.914 -0.305 0.000 2.368 53 V HA 0.272 4.398 4.120 0.010 0.000 0.266 53 V C 0.164 176.084 176.094 -0.290 0.000 1.045 53 V CA -0.327 61.680 62.300 -0.488 0.000 0.899 53 V CB 1.322 32.868 31.823 -0.461 0.000 1.006 53 V HN 0.599 nan 8.190 nan 0.000 0.470 54 V N 6.825 126.596 119.914 -0.239 0.000 2.472 54 V HA 0.680 4.806 4.120 0.010 0.000 0.290 54 V C -0.004 175.947 176.094 -0.239 0.000 1.037 54 V CA -0.511 61.748 62.300 -0.069 0.000 0.908 54 V CB 1.413 33.335 31.823 0.166 0.000 0.985 54 V HN 0.958 nan 8.190 nan 0.000 0.454 55 M N 2.925 122.403 119.600 -0.203 0.000 2.470 55 M HA 0.974 5.460 4.480 0.010 0.000 0.285 55 M C -0.458 175.800 176.300 -0.071 0.000 1.213 55 M CA -0.368 54.681 55.300 -0.418 0.000 0.901 55 M CB 2.514 34.872 32.600 -0.403 0.000 1.718 55 M HN 0.789 nan 8.290 nan 0.000 0.469 56 G N 2.065 110.885 108.800 0.033 0.000 2.550 56 G HA2 0.682 4.648 3.960 0.010 0.000 0.293 56 G HA3 0.682 4.648 3.960 0.010 0.000 0.293 56 G C -1.869 173.063 174.900 0.054 0.000 1.402 56 G CA -0.866 44.288 45.100 0.091 0.000 0.784 56 G HN 0.607 nan 8.290 nan 0.000 0.482 57 M N 0.382 119.987 119.600 0.008 0.000 2.598 57 M HA 0.606 5.092 4.480 0.010 0.000 0.317 57 M C 1.229 177.525 176.300 -0.006 0.000 1.179 57 M CA 0.244 55.544 55.300 0.001 0.000 0.936 57 M CB 0.691 33.275 32.600 -0.026 0.000 1.713 57 M HN 1.692 nan 8.290 nan 0.000 0.460 58 G N 1.941 110.736 108.800 -0.009 0.000 2.698 58 G HA2 -0.360 3.606 3.960 0.010 0.000 0.337 58 G HA3 -0.360 3.606 3.960 0.010 0.000 0.337 58 G C 1.002 175.766 174.900 -0.226 0.000 1.286 58 G CA 1.850 46.895 45.100 -0.090 0.000 1.000 58 G HN 0.986 nan 8.290 nan 0.000 0.547 59 A N -1.196 121.607 122.820 -0.027 0.000 1.865 59 A HA 0.035 4.361 4.320 0.010 0.000 0.217 59 A C 2.804 180.386 177.584 -0.003 0.000 1.191 59 A CA 3.401 55.476 52.037 0.064 0.000 0.623 59 A CB -1.009 18.035 19.000 0.072 0.000 0.826 59 A HN 1.327 nan 8.150 nan 0.000 0.444 60 S N -0.353 115.339 115.700 -0.014 0.000 2.374 60 S HA -0.138 4.338 4.470 0.010 0.000 0.227 60 S C 2.058 176.652 174.600 -0.009 0.000 1.037 60 S CA 1.304 59.504 58.200 -0.000 0.000 1.024 60 S CB -0.830 62.377 63.200 0.013 0.000 0.861 60 S HN 0.823 nan 8.310 nan 0.000 0.456 61 G N 1.993 110.763 108.800 -0.050 0.000 2.446 61 G HA2 -0.260 3.706 3.960 0.010 0.000 0.217 61 G HA3 -0.260 3.706 3.960 0.010 0.000 0.217 61 G C 1.165 175.822 174.900 -0.405 0.000 1.168 61 G CA 0.967 46.024 45.100 -0.070 0.000 0.771 61 G HN 0.504 nan 8.290 nan 0.000 0.551 62 H N 0.609 119.579 119.070 -0.166 0.000 2.290 62 H HA -0.050 4.511 4.556 0.009 0.000 0.298 62 H C 2.783 177.987 175.328 -0.207 0.000 1.087 62 H CA 1.180 57.108 56.048 -0.201 0.000 1.291 62 H CB -0.365 29.335 29.762 -0.103 0.000 1.369 62 H HN 0.200 nan 8.280 nan 0.000 0.492 63 I N 0.420 120.983 120.570 -0.011 0.000 2.179 63 I HA -0.132 4.044 4.170 0.010 0.000 0.242 63 I C 2.726 178.793 176.117 -0.083 0.000 1.088 63 I CA 1.308 62.583 61.300 -0.042 0.000 1.357 63 I CB -1.703 36.287 38.000 -0.017 0.000 1.051 63 I HN 0.245 nan 8.210 nan 0.000 0.409 64 G N 0.191 108.946 108.800 -0.076 0.000 2.501 64 G HA2 -0.274 3.692 3.960 0.010 0.000 0.220 64 G HA3 -0.274 3.692 3.960 0.010 0.000 0.220 64 G C 1.967 176.821 174.900 -0.075 0.000 1.114 64 G CA 0.616 45.727 45.100 0.019 0.000 0.757 64 G HN 0.322 nan 8.290 nan 0.000 0.559 65 R N -0.129 120.129 120.500 -0.402 0.000 2.062 65 R HA 0.080 4.426 4.340 0.010 0.000 0.226 65 R C 2.529 178.756 176.300 -0.122 0.000 1.125 65 R CA 0.901 56.774 56.100 -0.379 0.000 0.966 65 R CB -0.175 29.823 30.300 -0.504 0.000 0.861 65 R HN 0.081 nan 8.270 nan 0.000 0.433 66 K N 0.917 121.245 120.400 -0.119 0.000 2.103 66 K HA -0.184 4.142 4.320 0.010 0.000 0.207 66 K C 1.889 178.424 176.600 -0.109 0.000 1.048 66 K CA 1.594 57.829 56.287 -0.088 0.000 0.930 66 K CB -0.191 32.260 32.500 -0.082 0.000 0.716 66 K HN 0.233 nan 8.250 nan 0.000 0.444 67 M N 0.090 119.614 119.600 -0.127 0.000 2.065 67 M HA -0.203 4.283 4.480 0.010 0.000 0.259 67 M C 2.093 178.256 176.300 -0.229 0.000 1.069 67 M CA 2.037 57.192 55.300 -0.242 0.000 1.110 67 M CB -0.221 32.283 32.600 -0.159 0.000 1.328 67 M HN 0.182 nan 8.290 nan 0.000 0.405 68 A N 0.122 122.959 122.820 0.028 0.000 1.908 68 A HA -0.118 4.208 4.320 0.010 0.000 0.218 68 A C 2.278 179.944 177.584 0.135 0.000 1.181 68 A CA 2.073 54.221 52.037 0.186 0.000 0.627 68 A CB -1.264 17.882 19.000 0.244 0.000 0.818 68 A HN 0.671 nan 8.150 nan 0.000 0.445 69 A N -1.144 121.712 122.820 0.060 0.000 1.902 69 A HA -0.104 4.222 4.320 0.010 0.000 0.217 69 A C 2.312 179.910 177.584 0.023 0.000 1.181 69 A CA 2.354 54.419 52.037 0.047 0.000 0.623 69 A CB -1.267 17.742 19.000 0.015 0.000 0.818 69 A HN 0.438 nan 8.150 nan 0.000 0.443 70 T N -0.542 113.979 114.554 -0.056 0.000 2.777 70 T HA -0.075 4.281 4.350 0.010 0.000 0.266 70 T C 1.535 176.229 174.700 -0.010 0.000 1.040 70 T CA 1.420 63.469 62.100 -0.086 0.000 1.141 70 T CB -0.394 68.354 68.868 -0.199 0.000 0.868 70 T HN 0.357 nan 8.240 nan 0.000 0.444 71 F N 1.960 121.922 119.950 0.020 0.000 2.095 71 F HA -0.023 4.510 4.527 0.010 0.000 0.298 71 F C 2.674 178.482 175.800 0.014 0.000 1.104 71 F CA 0.470 58.477 58.000 0.012 0.000 1.232 71 F CB -1.392 37.611 39.000 0.006 0.000 0.987 71 F HN 0.139 nan 8.300 nan 0.000 0.475 72 A N 0.099 123.055 122.820 0.228 0.000 1.865 72 A HA -0.231 4.095 4.320 0.010 0.000 0.217 72 A C 2.302 179.943 177.584 0.095 0.000 1.191 72 A CA 2.541 54.661 52.037 0.139 0.000 0.623 72 A CB -1.383 17.692 19.000 0.125 0.000 0.826 72 A HN 0.410 nan 8.150 nan 0.000 0.444 73 S N -1.611 114.136 115.700 0.078 0.000 2.595 73 S HA -0.023 4.453 4.470 0.010 0.000 0.235 73 S C 1.152 175.784 174.600 0.055 0.000 0.974 73 S CA 1.424 59.656 58.200 0.053 0.000 0.942 73 S CB -0.506 62.716 63.200 0.036 0.000 0.766 73 S HN 0.456 nan 8.310 nan 0.000 0.536 74 T N 0.501 115.104 114.554 0.080 0.000 3.023 74 T HA 0.501 4.857 4.350 0.010 0.000 0.253 74 T C 1.293 176.033 174.700 0.067 0.000 1.038 74 T CA 0.406 62.555 62.100 0.082 0.000 0.962 74 T CB 0.373 69.316 68.868 0.125 0.000 1.018 74 T HN 0.759 nan 8.240 nan 0.000 0.521 75 G N 1.567 110.399 108.800 0.053 0.000 2.179 75 G HA2 -0.202 3.764 3.960 0.010 0.000 0.220 75 G HA3 -0.202 3.764 3.960 0.010 0.000 0.220 75 G C 0.223 175.113 174.900 -0.016 0.000 0.990 75 G CA -0.059 45.049 45.100 0.014 0.000 0.646 75 G HN 0.460 nan 8.290 nan 0.000 0.517 76 T N 3.196 117.760 114.554 0.017 0.000 2.874 76 T HA 0.544 4.900 4.350 0.010 0.000 0.321 76 T C -2.636 172.056 174.700 -0.013 0.000 1.075 76 T CA -1.041 61.024 62.100 -0.057 0.000 0.966 76 T CB 2.228 71.008 68.868 -0.146 0.000 1.001 76 T HN 0.087 nan 8.240 nan 0.000 0.476 77 P HA 0.362 nan 4.420 nan 0.000 0.271 77 P C -0.484 176.840 177.300 0.041 0.000 1.220 77 P CA -0.052 63.069 63.100 0.035 0.000 0.768 77 P CB 0.713 32.429 31.700 0.028 0.000 0.848 78 S N 2.988 118.762 115.700 0.123 0.000 2.567 78 S HA 0.822 5.298 4.470 0.010 0.000 0.270 78 S C -1.837 172.912 174.600 0.248 0.000 1.152 78 S CA -0.735 57.532 58.200 0.110 0.000 0.835 78 S CB 0.458 63.736 63.200 0.130 0.000 1.115 78 S HN 0.295 nan 8.310 nan 0.000 0.459 79 F N 0.834 120.849 119.950 0.108 0.000 2.645 79 F HA 0.838 5.371 4.527 0.010 0.000 0.310 79 F C -1.593 174.307 175.800 0.167 0.000 1.102 79 F CA -1.382 56.695 58.000 0.128 0.000 0.952 79 F CB 0.694 39.744 39.000 0.083 0.000 1.326 79 F HN 0.593 nan 8.300 nan 0.000 0.456 80 F N 2.220 122.295 119.950 0.208 0.000 2.397 80 F HA 0.815 5.346 4.527 0.007 0.000 0.331 80 F C -1.263 174.664 175.800 0.211 0.000 1.090 80 F CA -0.792 57.273 58.000 0.108 0.000 1.065 80 F CB 1.643 40.703 39.000 0.099 0.000 1.184 80 F HN 0.464 nan 8.300 nan 0.000 0.499 81 V N 4.383 123.775 119.914 -0.870 0.000 2.808 81 V HA 0.168 4.294 4.120 0.010 0.000 0.308 81 V C -1.222 174.412 176.094 -0.767 0.000 1.099 81 V CA -0.885 61.134 62.300 -0.468 0.000 0.920 81 V CB 1.705 33.450 31.823 -0.129 0.000 1.014 81 V HN 0.800 nan 8.190 nan 0.000 0.425 82 H N 6.842 125.730 119.070 -0.304 0.000 2.767 82 H HA 0.294 4.854 4.556 0.008 0.000 0.316 82 H C -1.844 173.423 175.328 -0.102 0.000 1.059 82 H CA -1.115 54.859 56.048 -0.123 0.000 1.461 82 H CB 1.849 31.662 29.762 0.085 0.000 1.475 82 H HN 0.336 nan 8.280 nan 0.000 0.531 83 P HA -0.178 nan 4.420 nan 0.000 0.216 83 P C 1.442 178.665 177.300 -0.128 0.000 1.157 83 P CA 2.105 65.029 63.100 -0.293 0.000 0.880 83 P CB 0.030 31.529 31.700 -0.336 0.000 0.791 84 G N -0.239 108.528 108.800 -0.055 0.000 2.418 84 G HA2 -0.293 3.673 3.960 0.010 0.000 0.217 84 G HA3 -0.293 3.673 3.960 0.010 0.000 0.217 84 G C 1.607 176.632 174.900 0.209 0.000 1.158 84 G CA 0.826 46.022 45.100 0.160 0.000 0.771 84 G HN 0.319 nan 8.290 nan 0.000 0.545 85 E N 0.530 120.897 120.200 0.278 0.000 2.085 85 E HA -0.085 4.271 4.350 0.010 0.000 0.194 85 E C 2.512 179.210 176.600 0.163 0.000 0.994 85 E CA 1.040 57.564 56.400 0.207 0.000 0.801 85 E CB -0.237 29.566 29.700 0.172 0.000 0.743 85 E HN 0.362 nan 8.360 nan 0.000 0.453 86 A N 0.259 123.134 122.820 0.092 0.000 2.238 86 A HA 0.240 4.567 4.320 0.010 0.000 0.208 86 A C 2.058 179.662 177.584 0.035 0.000 1.177 86 A CA 0.937 53.005 52.037 0.052 0.000 0.804 86 A CB -0.259 18.744 19.000 0.004 0.000 0.823 86 A HN 0.390 nan 8.150 nan 0.000 0.482 87 A N -0.094 122.743 122.820 0.027 0.000 1.873 87 A HA -0.131 4.195 4.320 0.010 0.000 0.215 87 A C 1.892 179.423 177.584 -0.088 0.000 1.186 87 A CA 1.836 53.834 52.037 -0.064 0.000 0.616 87 A CB -0.831 18.087 19.000 -0.137 0.000 0.823 87 A HN 0.634 nan 8.150 nan 0.000 0.442 88 H N -0.801 118.275 119.070 0.010 0.000 2.321 88 H HA 0.002 4.564 4.556 0.010 0.000 0.300 88 H C 2.262 177.593 175.328 0.004 0.000 1.087 88 H CA 1.567 57.620 56.048 0.008 0.000 1.319 88 H CB -0.333 29.436 29.762 0.011 0.000 1.379 88 H HN 0.491 nan 8.280 nan 0.000 0.501 89 G N -0.499 108.382 108.800 0.135 0.000 2.744 89 G HA2 -0.151 3.815 3.960 0.010 0.000 0.211 89 G HA3 -0.151 3.815 3.960 0.010 0.000 0.211 89 G C -0.084 174.838 174.900 0.037 0.000 1.143 89 G CA 0.639 45.782 45.100 0.072 0.000 0.788 89 G HN 0.422 nan 8.290 nan 0.000 0.534 90 D N -0.778 119.635 120.400 0.021 0.000 2.708 90 D HA -0.196 4.450 4.640 0.010 0.000 0.236 90 D C 0.881 177.178 176.300 -0.004 0.000 1.146 90 D CA 0.751 54.749 54.000 -0.004 0.000 0.662 90 D CB -1.467 39.328 40.800 -0.008 0.000 1.059 90 D HN 0.432 nan 8.370 nan 0.000 0.428 91 L N -2.982 118.243 121.223 0.003 0.000 3.512 91 L HA -0.200 4.146 4.340 0.010 0.000 0.446 91 L C 1.814 178.694 176.870 0.017 0.000 1.290 91 L CA 0.377 55.220 54.840 0.004 0.000 0.871 91 L CB -1.782 40.267 42.059 -0.017 0.000 1.767 91 L HN 0.412 nan 8.230 nan 0.000 0.855 92 G N 0.450 109.266 108.800 0.025 0.000 2.559 92 G HA2 -0.180 3.786 3.960 0.010 0.000 0.216 92 G HA3 -0.180 3.786 3.960 0.010 0.000 0.216 92 G C 1.403 176.325 174.900 0.036 0.000 1.126 92 G CA 0.731 45.846 45.100 0.025 0.000 0.778 92 G HN 0.604 nan 8.290 nan 0.000 0.543 93 M N 0.217 119.852 119.600 0.059 0.000 2.495 93 M HA 0.297 4.783 4.480 0.010 0.000 0.237 93 M C -0.374 176.009 176.300 0.140 0.000 1.131 93 M CA 0.352 55.713 55.300 0.101 0.000 1.032 93 M CB -0.378 32.316 32.600 0.157 0.000 1.513 93 M HN -0.137 nan 8.290 nan 0.000 0.488 94 V N 2.777 122.737 119.914 0.077 0.000 2.435 94 V HA 0.570 4.696 4.120 0.010 0.000 0.290 94 V C 0.375 176.489 176.094 0.034 0.000 1.030 94 V CA -0.327 62.003 62.300 0.051 0.000 0.881 94 V CB 1.362 33.189 31.823 0.006 0.000 0.983 94 V HN 0.575 nan 8.190 nan 0.000 0.445 95 T N 2.158 116.734 114.554 0.037 0.000 2.926 95 T HA 0.520 4.876 4.350 0.010 0.000 0.289 95 T C -2.241 172.476 174.700 0.029 0.000 1.054 95 T CA -2.167 59.952 62.100 0.031 0.000 1.015 95 T CB 2.190 71.080 68.868 0.037 0.000 1.167 95 T HN 0.314 nan 8.240 nan 0.000 0.526 96 P HA -0.131 nan 4.420 nan 0.000 0.218 96 P C 1.337 178.664 177.300 0.046 0.000 1.148 96 P CA 1.204 64.340 63.100 0.059 0.000 0.822 96 P CB -0.085 31.664 31.700 0.082 0.000 0.784 97 Q N -1.621 118.200 119.800 0.035 0.000 2.365 97 Q HA 0.072 4.418 4.340 0.010 0.000 0.203 97 Q C 0.002 176.014 176.000 0.020 0.000 0.929 97 Q CA 0.164 55.983 55.803 0.028 0.000 0.948 97 Q CB -0.320 28.432 28.738 0.025 0.000 1.043 97 Q HN 0.196 nan 8.270 nan 0.000 0.505 98 D N 0.805 121.214 120.400 0.015 0.000 2.432 98 D HA 0.391 5.037 4.640 0.010 0.000 0.258 98 D C -0.715 175.570 176.300 -0.024 0.000 1.146 98 D CA -0.493 53.504 54.000 -0.005 0.000 1.015 98 D CB 1.948 42.745 40.800 -0.005 0.000 1.107 98 D HN -0.100 nan 8.370 nan 0.000 0.529 99 V N 0.984 120.863 119.914 -0.060 0.000 2.638 99 V HA 0.267 4.393 4.120 0.010 0.000 0.306 99 V C -0.163 175.870 176.094 -0.101 0.000 1.052 99 V CA -0.818 61.439 62.300 -0.071 0.000 0.885 99 V CB 2.110 33.882 31.823 -0.085 0.000 0.999 99 V HN 0.224 nan 8.190 nan 0.000 0.424 100 V N 6.030 125.894 119.914 -0.083 0.000 2.427 100 V HA 0.502 4.628 4.120 0.010 0.000 0.286 100 V C -0.136 175.912 176.094 -0.077 0.000 1.034 100 V CA -0.350 61.892 62.300 -0.096 0.000 0.893 100 V CB 1.726 33.499 31.823 -0.083 0.000 0.982 100 V HN 0.676 nan 8.190 nan 0.000 0.452 101 I N 4.605 125.131 120.570 -0.075 0.000 2.405 101 I HA 0.507 4.684 4.170 0.010 0.000 0.280 101 I C 0.421 176.517 176.117 -0.034 0.000 1.027 101 I CA -0.394 60.885 61.300 -0.035 0.000 1.161 101 I CB 1.413 39.425 38.000 0.019 0.000 1.300 101 I HN 0.670 nan 8.210 nan 0.000 0.463 102 A N 8.162 130.958 122.820 -0.040 0.000 2.309 102 A HA 0.679 5.006 4.320 0.010 0.000 0.290 102 A C -0.266 177.304 177.584 -0.022 0.000 1.206 102 A CA -0.267 51.745 52.037 -0.041 0.000 0.850 102 A CB 0.214 19.187 19.000 -0.046 0.000 1.118 102 A HN 0.687 nan 8.150 nan 0.000 0.523 103 I N 2.277 122.846 120.570 -0.002 0.000 2.336 103 I HA 0.498 4.674 4.170 0.010 0.000 0.292 103 I C 0.327 176.443 176.117 -0.001 0.000 0.991 103 I CA -0.121 61.182 61.300 0.005 0.000 1.227 103 I CB 1.771 39.794 38.000 0.039 0.000 1.366 103 I HN 0.583 nan 8.210 nan 0.000 0.466 104 S N 5.170 120.864 115.700 -0.009 0.000 2.550 104 S HA 0.139 4.615 4.470 0.010 0.000 0.274 104 S C 0.181 174.779 174.600 -0.002 0.000 1.110 104 S CA -0.779 57.418 58.200 -0.005 0.000 1.013 104 S CB 0.896 64.093 63.200 -0.006 0.000 1.152 104 S HN 0.795 nan 8.310 nan 0.000 0.450 105 N N 2.796 121.494 118.700 -0.002 0.000 2.142 105 N HA -0.134 4.612 4.740 0.010 0.000 0.186 105 N C 1.851 177.364 175.510 0.007 0.000 1.023 105 N CA 1.776 54.825 53.050 -0.002 0.000 0.852 105 N CB -0.029 38.457 38.487 -0.003 0.000 0.998 105 N HN 0.737 nan 8.380 nan 0.000 0.424 106 S N -0.465 115.239 115.700 0.007 0.000 2.423 106 S HA 0.033 4.509 4.470 0.010 0.000 0.231 106 S C 1.655 176.263 174.600 0.014 0.000 1.014 106 S CA 1.248 59.454 58.200 0.009 0.000 0.965 106 S CB -0.492 62.711 63.200 0.006 0.000 0.785 106 S HN 0.503 nan 8.310 nan 0.000 0.495 107 G N 0.967 109.778 108.800 0.018 0.000 2.175 107 G HA2 -0.243 3.723 3.960 0.010 0.000 0.265 107 G HA3 -0.243 3.723 3.960 0.010 0.000 0.265 107 G C 0.398 175.307 174.900 0.015 0.000 0.979 107 G CA 0.639 45.756 45.100 0.029 0.000 0.663 107 G HN 0.576 nan 8.290 nan 0.000 0.533 108 E N 0.150 120.354 120.200 0.006 0.000 2.758 108 E HA 0.188 4.544 4.350 0.010 0.000 0.215 108 E C 0.494 177.091 176.600 -0.006 0.000 0.985 108 E CA 0.086 56.486 56.400 0.000 0.000 1.102 108 E CB 0.497 30.197 29.700 0.001 0.000 1.042 108 E HN 0.361 nan 8.360 nan 0.000 0.480 109 S N 1.723 117.418 115.700 -0.009 0.000 2.575 109 S HA -0.046 4.430 4.470 0.010 0.000 0.295 109 S C 1.652 176.239 174.600 -0.022 0.000 1.267 109 S CA 0.434 58.624 58.200 -0.017 0.000 1.074 109 S CB 0.807 63.991 63.200 -0.027 0.000 0.829 109 S HN 0.372 nan 8.310 nan 0.000 0.497 110 S N 3.773 119.461 115.700 -0.019 0.000 2.348 110 S HA -0.196 4.280 4.470 0.010 0.000 0.221 110 S C 1.426 176.006 174.600 -0.033 0.000 1.033 110 S CA 1.156 59.343 58.200 -0.022 0.000 1.010 110 S CB -0.549 62.642 63.200 -0.015 0.000 0.891 110 S HN 0.690 nan 8.310 nan 0.000 0.442 111 E N 2.005 122.180 120.200 -0.041 0.000 2.048 111 E HA -0.125 4.231 4.350 0.010 0.000 0.202 111 E C 2.052 178.609 176.600 -0.071 0.000 1.021 111 E CA 1.850 58.214 56.400 -0.060 0.000 0.825 111 E CB -0.712 28.936 29.700 -0.087 0.000 0.756 111 E HN 0.624 nan 8.360 nan 0.000 0.454 112 I N 0.561 121.086 120.570 -0.075 0.000 2.226 112 I HA -0.265 3.912 4.170 0.010 0.000 0.245 112 I C 2.217 178.303 176.117 -0.052 0.000 1.100 112 I CA 1.365 62.621 61.300 -0.073 0.000 1.374 112 I CB -0.609 37.350 38.000 -0.068 0.000 1.057 112 I HN 0.132 nan 8.210 nan 0.000 0.413 113 T N 0.993 115.523 114.554 -0.039 0.000 2.685 113 T HA -0.254 4.103 4.350 0.010 0.000 0.268 113 T C 2.028 176.709 174.700 -0.033 0.000 1.034 113 T CA 1.713 63.795 62.100 -0.030 0.000 1.149 113 T CB -0.315 68.539 68.868 -0.023 0.000 0.860 113 T HN 0.528 nan 8.240 nan 0.000 0.449 114 A N 1.082 123.879 122.820 -0.039 0.000 1.902 114 A HA 0.024 4.350 4.320 0.010 0.000 0.217 114 A C 2.248 179.805 177.584 -0.044 0.000 1.181 114 A CA 1.169 53.182 52.037 -0.040 0.000 0.623 114 A CB -0.724 18.250 19.000 -0.045 0.000 0.818 114 A HN 0.522 nan 8.150 nan 0.000 0.443 115 L N -0.430 120.763 121.223 -0.050 0.000 2.275 115 L HA -0.117 4.229 4.340 0.010 0.000 0.215 115 L C 2.282 179.123 176.870 -0.048 0.000 1.119 115 L CA 0.453 55.262 54.840 -0.052 0.000 0.790 115 L CB -0.648 41.373 42.059 -0.063 0.000 0.919 115 L HN 0.383 nan 8.230 nan 0.000 0.443 116 I N 0.474 121.019 120.570 -0.042 0.000 2.068 116 I HA -0.280 3.896 4.170 0.010 0.000 0.238 116 I C -0.096 175.998 176.117 -0.037 0.000 1.046 116 I CA 1.926 63.205 61.300 -0.036 0.000 1.306 116 I CB -1.690 36.294 38.000 -0.026 0.000 1.023 116 I HN 0.212 nan 8.210 nan 0.000 0.399 117 P HA -0.166 nan 4.420 nan 0.000 0.214 117 P C 1.962 179.233 177.300 -0.049 0.000 1.169 117 P CA 1.547 64.624 63.100 -0.037 0.000 0.908 117 P CB -0.107 31.573 31.700 -0.033 0.000 0.791 118 V N -1.017 118.867 119.914 -0.049 0.000 2.380 118 V HA -0.224 3.902 4.120 0.010 0.000 0.251 118 V C 2.417 178.470 176.094 -0.069 0.000 1.063 118 V CA 1.561 63.827 62.300 -0.056 0.000 1.055 118 V CB -1.256 30.538 31.823 -0.047 0.000 0.657 118 V HN 0.054 nan 8.190 nan 0.000 0.455 119 L N -0.600 120.587 121.223 -0.061 0.000 2.275 119 L HA -0.079 4.267 4.340 0.010 0.000 0.215 119 L C 2.270 179.096 176.870 -0.073 0.000 1.119 119 L CA 1.754 56.557 54.840 -0.062 0.000 0.790 119 L CB -0.576 41.452 42.059 -0.052 0.000 0.919 119 L HN 0.256 nan 8.230 nan 0.000 0.443 120 K N -0.486 119.867 120.400 -0.077 0.000 2.098 120 K HA 0.046 4.372 4.320 0.010 0.000 0.203 120 K C 1.324 177.818 176.600 -0.177 0.000 1.051 120 K CA 0.503 56.741 56.287 -0.083 0.000 0.957 120 K CB 0.017 32.488 32.500 -0.048 0.000 0.738 120 K HN 0.264 nan 8.250 nan 0.000 0.447 121 R N 1.347 121.731 120.500 -0.194 0.000 2.391 121 R HA 0.056 4.402 4.340 0.010 0.000 0.225 121 R C 1.092 177.128 176.300 -0.439 0.000 1.079 121 R CA 0.432 56.346 56.100 -0.310 0.000 1.147 121 R CB -0.441 29.763 30.300 -0.160 0.000 1.103 121 R HN 0.227 nan 8.270 nan 0.000 0.499 122 L N -0.706 120.281 121.223 -0.392 0.000 2.817 122 L HA 0.185 4.531 4.340 0.010 0.000 0.248 122 L C -0.359 176.391 176.870 -0.199 0.000 1.133 122 L CA -0.196 54.483 54.840 -0.268 0.000 0.935 122 L CB -0.183 41.810 42.059 -0.110 0.000 1.266 122 L HN 0.367 nan 8.230 nan 0.000 0.535 123 H N -1.504 117.562 119.070 -0.005 0.000 2.756 123 H HA -0.119 4.443 4.556 0.011 0.000 0.315 123 H C -0.536 174.790 175.328 -0.005 0.000 1.210 123 H CA -0.112 55.934 56.048 -0.004 0.000 1.150 123 H CB -1.884 27.877 29.762 -0.003 0.000 1.463 123 H HN -0.000 nan 8.280 nan 0.000 0.427 124 V N 1.149 121.091 119.914 0.046 0.000 2.347 124 V HA 0.254 4.380 4.120 0.010 0.000 0.280 124 V C -1.753 174.349 176.094 0.014 0.000 1.021 124 V CA -1.878 60.436 62.300 0.024 0.000 0.847 124 V CB 1.480 33.299 31.823 -0.007 0.000 0.990 124 V HN 0.076 nan 8.190 nan 0.000 0.444 125 P HA 0.020 nan 4.420 nan 0.000 0.257 125 P C -0.608 176.687 177.300 -0.008 0.000 1.189 125 P CA 0.034 63.141 63.100 0.012 0.000 0.780 125 P CB 0.190 31.898 31.700 0.013 0.000 0.772 126 L N 6.111 127.331 121.223 -0.005 0.000 2.275 126 L HA 0.421 4.767 4.340 0.010 0.000 0.288 126 L C -0.635 176.229 176.870 -0.010 0.000 1.046 126 L CA -0.129 54.702 54.840 -0.015 0.000 0.805 126 L CB 0.237 42.289 42.059 -0.011 0.000 1.193 126 L HN 0.237 nan 8.230 nan 0.000 0.426 127 I N 4.924 125.480 120.570 -0.024 0.000 2.406 127 I HA 0.350 4.527 4.170 0.010 0.000 0.290 127 I C -0.842 175.255 176.117 -0.033 0.000 0.999 127 I CA -0.469 60.815 61.300 -0.026 0.000 1.124 127 I CB 1.490 39.465 38.000 -0.041 0.000 1.289 127 I HN 0.533 nan 8.210 nan 0.000 0.441 128 C N 6.983 126.260 119.300 -0.038 0.000 2.345 128 C HA 0.547 5.013 4.460 0.010 0.000 0.323 128 C C 0.247 175.114 174.990 -0.204 0.000 1.276 128 C CA -0.646 58.336 59.018 -0.060 0.000 1.543 128 C CB 0.609 28.365 27.740 0.027 0.000 2.211 128 C HN 0.548 nan 8.230 nan 0.000 0.493 129 I N 3.851 124.324 120.570 -0.163 0.000 2.347 129 I HA 0.332 4.508 4.170 0.010 0.000 0.283 129 I C 0.219 176.236 176.117 -0.167 0.000 1.058 129 I CA 0.576 61.745 61.300 -0.218 0.000 1.202 129 I CB 0.562 38.501 38.000 -0.101 0.000 1.386 129 I HN 0.670 nan 8.210 nan 0.000 0.475 130 T N 2.881 117.302 114.554 -0.222 0.000 2.888 130 T HA 0.412 4.769 4.350 0.010 0.000 0.288 130 T C 0.960 175.675 174.700 0.024 0.000 1.063 130 T CA -0.473 61.634 62.100 0.012 0.000 1.010 130 T CB 1.964 70.964 68.868 0.221 0.000 1.214 130 T HN 0.627 nan 8.240 nan 0.000 0.533 131 G N 0.086 108.901 108.800 0.026 0.000 3.020 131 G HA2 0.160 4.126 3.960 0.010 0.000 0.217 131 G HA3 0.160 4.126 3.960 0.010 0.000 0.217 131 G C 0.277 175.184 174.900 0.012 0.000 1.144 131 G CA -0.245 44.843 45.100 -0.020 0.000 0.760 131 G HN 0.440 nan 8.290 nan 0.000 0.548 132 R N 0.568 121.100 120.500 0.053 0.000 2.358 132 R HA 0.263 4.609 4.340 0.010 0.000 0.309 132 R C -2.208 174.064 176.300 -0.048 0.000 1.026 132 R CA -1.673 54.436 56.100 0.014 0.000 0.909 132 R CB 2.168 32.473 30.300 0.007 0.000 1.153 132 R HN -0.085 nan 8.270 nan 0.000 0.515 133 P HA -0.128 nan 4.420 nan 0.000 0.226 133 P C -0.075 177.079 177.300 -0.245 0.000 1.146 133 P CA 1.095 64.002 63.100 -0.321 0.000 0.773 133 P CB 0.365 31.984 31.700 -0.135 0.000 0.772 134 E N -1.069 119.058 120.200 -0.121 0.000 2.496 134 E HA 0.086 4.442 4.350 0.010 0.000 0.202 134 E C 0.119 176.687 176.600 -0.054 0.000 1.021 134 E CA -0.195 56.158 56.400 -0.078 0.000 1.015 134 E CB -0.148 29.526 29.700 -0.043 0.000 1.102 134 E HN 0.196 nan 8.360 nan 0.000 0.452 135 S N -1.359 114.307 115.700 -0.057 0.000 2.617 135 S HA 0.188 4.664 4.470 0.010 0.000 0.269 135 S C 1.387 175.982 174.600 -0.008 0.000 1.292 135 S CA -0.498 57.694 58.200 -0.014 0.000 1.010 135 S CB 1.841 65.053 63.200 0.020 0.000 0.944 135 S HN 0.033 nan 8.310 nan 0.000 0.536 136 S N 1.028 116.728 115.700 0.000 0.000 2.365 136 S HA -0.183 4.293 4.470 0.010 0.000 0.225 136 S C 1.856 176.462 174.600 0.010 0.000 1.039 136 S CA 1.958 60.158 58.200 0.000 0.000 1.033 136 S CB -0.741 62.459 63.200 -0.002 0.000 0.887 136 S HN 0.710 nan 8.310 nan 0.000 0.447 137 M N 0.725 120.340 119.600 0.026 0.000 2.132 137 M HA -0.038 4.448 4.480 0.010 0.000 0.263 137 M C 2.455 178.805 176.300 0.083 0.000 1.065 137 M CA 1.453 56.779 55.300 0.044 0.000 1.122 137 M CB -0.521 32.108 32.600 0.047 0.000 1.365 137 M HN 0.435 nan 8.290 nan 0.000 0.411 138 A N 0.460 123.347 122.820 0.111 0.000 1.940 138 A HA -0.165 4.161 4.320 0.010 0.000 0.219 138 A C 2.215 179.807 177.584 0.014 0.000 1.176 138 A CA 1.508 53.605 52.037 0.099 0.000 0.631 138 A CB -0.481 18.379 19.000 -0.233 0.000 0.814 138 A HN 0.327 nan 8.150 nan 0.000 0.446 139 R N -0.580 119.917 120.500 -0.005 0.000 2.062 139 R HA 0.041 4.387 4.340 0.010 0.000 0.229 139 R C 2.344 178.650 176.300 0.010 0.000 1.128 139 R CA 1.480 57.576 56.100 -0.007 0.000 0.960 139 R CB -1.253 29.040 30.300 -0.012 0.000 0.855 139 R HN 0.509 nan 8.270 nan 0.000 0.432 140 A N 1.161 123.990 122.820 0.015 0.000 2.067 140 A HA 0.269 4.595 4.320 0.010 0.000 0.217 140 A C 1.169 178.765 177.584 0.020 0.000 1.156 140 A CA 0.629 52.674 52.037 0.013 0.000 0.683 140 A CB -0.239 18.764 19.000 0.005 0.000 0.808 140 A HN 0.302 nan 8.150 nan 0.000 0.455 141 A N 0.192 123.033 122.820 0.036 0.000 2.425 141 A HA 0.355 4.681 4.320 0.010 0.000 0.242 141 A C 0.464 178.073 177.584 0.042 0.000 1.077 141 A CA 0.274 52.336 52.037 0.041 0.000 0.781 141 A CB 0.112 19.152 19.000 0.067 0.000 1.020 141 A HN 0.301 nan 8.150 nan 0.000 0.494 142 D N -0.568 119.853 120.400 0.034 0.000 2.194 142 D HA 0.151 4.797 4.640 0.010 0.000 0.204 142 D C -0.065 176.262 176.300 0.045 0.000 0.964 142 D CA 1.266 55.287 54.000 0.035 0.000 0.846 142 D CB 0.078 40.894 40.800 0.028 0.000 0.962 142 D HN 0.187 nan 8.370 nan 0.000 0.490 143 V N 0.580 120.524 119.914 0.048 0.000 2.612 143 V HA 0.158 4.284 4.120 0.010 0.000 0.301 143 V C -0.922 175.224 176.094 0.087 0.000 1.059 143 V CA -1.011 61.327 62.300 0.062 0.000 0.886 143 V CB 2.343 34.184 31.823 0.030 0.000 1.007 143 V HN 0.203 nan 8.190 nan 0.000 0.426 144 H N 5.404 124.489 119.070 0.026 0.000 2.476 144 H HA 0.592 5.152 4.556 0.008 0.000 0.328 144 H C -1.734 173.620 175.328 0.044 0.000 1.073 144 H CA -0.751 55.313 56.048 0.026 0.000 1.229 144 H CB 1.980 31.755 29.762 0.022 0.000 1.432 144 H HN 0.490 nan 8.280 nan 0.000 0.477 145 L N 6.456 127.409 121.223 -0.449 0.000 2.276 145 L HA 0.205 4.551 4.340 0.010 0.000 0.286 145 L C -0.397 176.232 176.870 -0.401 0.000 1.024 145 L CA -0.278 54.428 54.840 -0.223 0.000 0.826 145 L CB 0.370 42.375 42.059 -0.090 0.000 1.211 145 L HN 0.669 nan 8.230 nan 0.000 0.422 146 C N 4.717 123.957 119.300 -0.101 0.000 2.536 146 C HA 0.601 5.068 4.460 0.010 0.000 0.396 146 C C 1.134 175.851 174.990 -0.454 0.000 1.279 146 C CA -0.175 58.748 59.018 -0.158 0.000 2.148 146 C CB 0.196 27.920 27.740 -0.027 0.000 2.584 146 C HN 0.735 nan 8.230 nan 0.000 0.579 147 V N 2.785 122.417 119.914 -0.470 0.000 3.047 147 V HA 0.332 4.458 4.120 0.010 0.000 0.374 147 V C 0.144 176.039 176.094 -0.332 0.000 1.399 147 V CA -0.477 61.594 62.300 -0.383 0.000 1.251 147 V CB -1.058 30.669 31.823 -0.161 0.000 1.228 147 V HN 0.884 nan 8.190 nan 0.000 0.589 148 K N 2.041 122.155 120.400 -0.477 0.000 2.485 148 K HA 0.425 4.751 4.320 0.010 0.000 0.277 148 K C -0.179 176.395 176.600 -0.044 0.000 0.990 148 K CA 0.544 56.720 56.287 -0.184 0.000 0.994 148 K CB 1.301 33.742 32.500 -0.098 0.000 0.906 148 K HN 0.757 nan 8.250 nan 0.000 0.488 149 V N 0.394 120.311 119.914 0.005 0.000 2.823 149 V HA 0.669 4.795 4.120 0.010 0.000 0.312 149 V C 0.278 176.398 176.094 0.043 0.000 1.072 149 V CA -0.169 62.155 62.300 0.040 0.000 0.937 149 V CB 1.444 33.280 31.823 0.023 0.000 1.013 149 V HN 0.863 nan 8.190 nan 0.000 0.430 150 A N 2.380 125.230 122.820 0.050 0.000 2.095 150 A HA 0.375 4.701 4.320 0.010 0.000 0.212 150 A C 0.927 178.528 177.584 0.029 0.000 1.162 150 A CA 0.650 52.712 52.037 0.042 0.000 0.753 150 A CB 0.009 19.036 19.000 0.045 0.000 0.840 150 A HN 0.855 nan 8.150 nan 0.000 0.468 151 K N 1.059 121.475 120.400 0.027 0.000 2.443 151 K HA 0.337 4.663 4.320 0.010 0.000 0.252 151 K C -1.310 175.300 176.600 0.018 0.000 0.933 151 K CA -0.566 55.733 56.287 0.021 0.000 0.792 151 K CB 1.186 33.698 32.500 0.020 0.000 1.185 151 K HN 0.073 nan 8.250 nan 0.000 0.425 152 E N 2.123 122.332 120.200 0.016 0.000 2.301 152 E HA 0.200 4.556 4.350 0.010 0.000 0.275 152 E C 0.102 176.710 176.600 0.014 0.000 1.030 152 E CA -0.124 56.284 56.400 0.014 0.000 0.852 152 E CB 1.808 31.516 29.700 0.014 0.000 1.060 152 E HN 0.762 nan 8.360 nan 0.000 0.401 153 A N 2.008 124.835 122.820 0.013 0.000 2.195 153 A HA 0.023 4.349 4.320 0.010 0.000 0.210 153 A C 0.881 178.473 177.584 0.014 0.000 1.165 153 A CA -0.035 52.009 52.037 0.013 0.000 0.806 153 A CB 0.299 19.305 19.000 0.010 0.000 0.847 153 A HN 0.513 nan 8.150 nan 0.000 0.482 154 C N 0.374 119.682 119.300 0.013 0.000 2.295 154 C HA 0.586 5.052 4.460 0.010 0.000 0.331 154 C C -0.991 174.008 174.990 0.015 0.000 1.280 154 C CA -1.767 57.260 59.018 0.014 0.000 1.746 154 C CB 0.712 28.460 27.740 0.013 0.000 2.328 154 C HN 0.391 nan 8.230 nan 0.000 0.521 155 P HA -0.132 nan 4.420 nan 0.000 0.216 155 P C 0.656 177.965 177.300 0.015 0.000 1.157 155 P CA 1.752 64.861 63.100 0.016 0.000 0.880 155 P CB 0.071 31.782 31.700 0.018 0.000 0.791 156 L N -3.017 118.215 121.223 0.015 0.000 2.818 156 L HA 0.382 4.728 4.340 0.010 0.000 0.243 156 L C 1.299 178.178 176.870 0.014 0.000 1.185 156 L CA 0.184 55.032 54.840 0.014 0.000 0.988 156 L CB -0.674 41.393 42.059 0.014 0.000 1.292 156 L HN 0.093 nan 8.230 nan 0.000 0.519 157 G N 0.897 109.705 108.800 0.014 0.000 2.280 157 G HA2 -0.340 3.626 3.960 0.010 0.000 0.282 157 G HA3 -0.340 3.626 3.960 0.010 0.000 0.282 157 G C 1.065 175.974 174.900 0.015 0.000 1.000 157 G CA 0.818 45.926 45.100 0.014 0.000 0.751 157 G HN 0.433 nan 8.290 nan 0.000 0.515 158 L N -1.009 120.223 121.223 0.015 0.000 2.137 158 L HA 0.082 4.429 4.340 0.010 0.000 0.213 158 L C 1.762 178.643 176.870 0.018 0.000 1.085 158 L CA 1.632 56.481 54.840 0.016 0.000 0.760 158 L CB -0.391 41.678 42.059 0.015 0.000 0.893 158 L HN 0.683 nan 8.230 nan 0.000 0.434 159 A N -0.745 122.085 122.820 0.017 0.000 2.427 159 A HA 0.625 4.951 4.320 0.010 0.000 0.298 159 A C -2.512 175.082 177.584 0.017 0.000 1.036 159 A CA -1.215 50.834 52.037 0.019 0.000 0.701 159 A CB 0.935 19.945 19.000 0.018 0.000 1.250 159 A HN -0.166 nan 8.150 nan 0.000 0.412 160 P HA 0.228 nan 4.420 nan 0.000 0.271 160 P C 0.419 177.726 177.300 0.013 0.000 1.216 160 P CA 0.298 63.407 63.100 0.015 0.000 0.771 160 P CB 1.353 33.063 31.700 0.016 0.000 0.864 161 T N -1.378 113.182 114.554 0.010 0.000 3.447 161 T HA 0.023 4.379 4.350 0.010 0.000 0.218 161 T C 1.816 176.520 174.700 0.006 0.000 0.972 161 T CA 0.430 62.534 62.100 0.007 0.000 1.264 161 T CB -0.998 67.874 68.868 0.006 0.000 1.284 161 T HN 0.179 nan 8.240 nan 0.000 0.361 162 S N 2.697 118.401 115.700 0.008 0.000 2.374 162 S HA -0.167 4.309 4.470 0.010 0.000 0.227 162 S C 2.480 177.083 174.600 0.005 0.000 1.037 162 S CA 1.960 60.165 58.200 0.009 0.000 1.024 162 S CB -0.741 62.467 63.200 0.013 0.000 0.861 162 S HN 0.816 nan 8.310 nan 0.000 0.456 163 S N 1.996 117.697 115.700 0.003 0.000 2.355 163 S HA -0.158 4.318 4.470 0.010 0.000 0.222 163 S C 2.166 176.762 174.600 -0.006 0.000 1.031 163 S CA 1.656 59.853 58.200 -0.005 0.000 0.993 163 S CB -1.451 61.747 63.200 -0.004 0.000 0.859 163 S HN 0.710 nan 8.310 nan 0.000 0.453 164 T N -0.258 114.297 114.554 0.000 0.000 2.788 164 T HA -0.095 4.261 4.350 0.010 0.000 0.268 164 T C 1.893 176.591 174.700 -0.003 0.000 1.044 164 T CA 1.859 63.960 62.100 0.001 0.000 1.139 164 T CB -1.516 67.358 68.868 0.010 0.000 0.867 164 T HN 0.444 nan 8.240 nan 0.000 0.454 165 T N 1.830 116.383 114.554 -0.003 0.000 2.951 165 T HA 0.245 4.601 4.350 0.010 0.000 0.268 165 T C 2.405 177.102 174.700 -0.004 0.000 1.073 165 T CA 0.878 62.974 62.100 -0.005 0.000 1.134 165 T CB -0.578 68.288 68.868 -0.003 0.000 0.884 165 T HN 0.596 nan 8.240 nan 0.000 0.479 166 A N 1.262 124.080 122.820 -0.003 0.000 1.968 166 A HA -0.054 4.272 4.320 0.010 0.000 0.217 166 A C 2.483 180.063 177.584 -0.007 0.000 1.169 166 A CA 1.583 53.619 52.037 -0.002 0.000 0.638 166 A CB -0.899 18.097 19.000 -0.007 0.000 0.812 166 A HN 0.443 nan 8.150 nan 0.000 0.446 167 T N -0.065 114.481 114.554 -0.014 0.000 2.896 167 T HA -0.049 4.308 4.350 0.010 0.000 0.263 167 T C 1.797 176.488 174.700 -0.014 0.000 1.050 167 T CA 1.250 63.342 62.100 -0.015 0.000 1.140 167 T CB -0.244 68.614 68.868 -0.016 0.000 0.877 167 T HN 0.297 nan 8.240 nan 0.000 0.457 168 L N 1.463 122.675 121.223 -0.018 0.000 2.005 168 L HA 0.007 4.353 4.340 0.010 0.000 0.207 168 L C 2.431 179.284 176.870 -0.029 0.000 1.072 168 L CA 1.619 56.440 54.840 -0.031 0.000 0.744 168 L CB -0.819 41.222 42.059 -0.028 0.000 0.895 168 L HN 0.052 nan 8.230 nan 0.000 0.433 169 V N -0.437 119.469 119.914 -0.013 0.000 2.343 169 V HA -0.316 3.810 4.120 0.010 0.000 0.247 169 V C 2.583 178.687 176.094 0.018 0.000 1.051 169 V CA 1.906 64.204 62.300 -0.004 0.000 1.036 169 V CB -0.670 31.153 31.823 -0.000 0.000 0.654 169 V HN 0.621 nan 8.190 nan 0.000 0.451 170 M N 1.726 121.346 119.600 0.033 0.000 2.082 170 M HA -0.127 4.359 4.480 0.010 0.000 0.258 170 M C 1.974 178.342 176.300 0.115 0.000 1.069 170 M CA 2.460 57.813 55.300 0.088 0.000 1.102 170 M CB -1.319 31.326 32.600 0.075 0.000 1.336 170 M HN 0.262 nan 8.290 nan 0.000 0.404 171 G N -0.571 108.245 108.800 0.027 0.000 2.440 171 G HA2 -0.235 3.731 3.960 0.010 0.000 0.218 171 G HA3 -0.235 3.731 3.960 0.010 0.000 0.218 171 G C 1.201 176.038 174.900 -0.105 0.000 1.154 171 G CA 1.184 46.249 45.100 -0.058 0.000 0.767 171 G HN 0.527 nan 8.290 nan 0.000 0.552 172 D N 0.968 121.329 120.400 -0.064 0.000 2.178 172 D HA -0.018 4.628 4.640 0.010 0.000 0.201 172 D C 2.714 179.043 176.300 0.048 0.000 0.980 172 D CA 1.117 55.090 54.000 -0.045 0.000 0.842 172 D CB -0.324 40.458 40.800 -0.031 0.000 0.948 172 D HN 0.343 nan 8.370 nan 0.000 0.472 173 A N 0.262 123.155 122.820 0.121 0.000 1.968 173 A HA -0.027 4.299 4.320 0.010 0.000 0.217 173 A C 2.309 180.171 177.584 0.463 0.000 1.169 173 A CA 0.558 52.731 52.037 0.227 0.000 0.638 173 A CB -0.491 18.601 19.000 0.153 0.000 0.812 173 A HN 0.180 nan 8.150 nan 0.000 0.446 174 L N -0.927 120.530 121.223 0.390 0.000 2.072 174 L HA -0.106 4.240 4.340 0.010 0.000 0.205 174 L C 3.092 180.155 176.870 0.321 0.000 1.079 174 L CA 0.855 55.843 54.840 0.246 0.000 0.752 174 L CB -0.557 41.630 42.059 0.214 0.000 0.906 174 L HN 0.418 nan 8.230 nan 0.000 0.436 175 A N 0.451 123.452 122.820 0.303 0.000 1.851 175 A HA -0.205 4.121 4.320 0.010 0.000 0.216 175 A C 2.325 180.029 177.584 0.200 0.000 1.195 175 A CA 2.412 54.627 52.037 0.297 0.000 0.622 175 A CB -1.086 17.913 19.000 -0.001 0.000 0.831 175 A HN 0.286 nan 8.150 nan 0.000 0.444 176 V N -2.155 117.842 119.914 0.139 0.000 2.427 176 V HA -0.034 4.092 4.120 0.010 0.000 0.248 176 V C 2.607 178.776 176.094 0.126 0.000 1.051 176 V CA 1.718 64.084 62.300 0.111 0.000 1.048 176 V CB -1.759 30.112 31.823 0.080 0.000 0.666 176 V HN 0.588 nan 8.190 nan 0.000 0.456 177 A N 1.151 124.076 122.820 0.175 0.000 1.859 177 A HA -0.191 4.135 4.320 0.010 0.000 0.217 177 A C 2.148 179.800 177.584 0.113 0.000 1.198 177 A CA 2.588 54.732 52.037 0.178 0.000 0.629 177 A CB -0.913 18.280 19.000 0.321 0.000 0.830 177 A HN 0.520 nan 8.150 nan 0.000 0.446 178 L N -1.101 120.190 121.223 0.112 0.000 2.083 178 L HA -0.146 4.200 4.340 0.010 0.000 0.209 178 L C 2.391 179.338 176.870 0.128 0.000 1.083 178 L CA 1.515 56.425 54.840 0.117 0.000 0.752 178 L CB -0.885 41.227 42.059 0.089 0.000 0.899 178 L HN 0.474 nan 8.230 nan 0.000 0.433 179 L N -0.527 120.761 121.223 0.109 0.000 2.046 179 L HA -0.201 4.145 4.340 0.010 0.000 0.208 179 L C 2.356 179.273 176.870 0.078 0.000 1.077 179 L CA 1.807 56.699 54.840 0.087 0.000 0.747 179 L CB -0.563 41.543 42.059 0.079 0.000 0.896 179 L HN 0.194 nan 8.230 nan 0.000 0.432 180 K N -0.829 119.614 120.400 0.072 0.000 2.217 180 K HA 0.051 4.377 4.320 0.010 0.000 0.202 180 K C 1.975 178.601 176.600 0.043 0.000 1.051 180 K CA 0.875 57.194 56.287 0.052 0.000 0.952 180 K CB -0.206 32.322 32.500 0.045 0.000 0.736 180 K HN 0.431 nan 8.250 nan 0.000 0.453 181 A N 1.533 124.379 122.820 0.044 0.000 2.067 181 A HA -0.133 4.194 4.320 0.010 0.000 0.219 181 A C 1.896 179.530 177.584 0.084 0.000 1.158 181 A CA 1.088 53.117 52.037 -0.015 0.000 0.661 181 A CB -0.168 18.736 19.000 -0.160 0.000 0.801 181 A HN 0.202 nan 8.150 nan 0.000 0.452 182 R N -1.571 119.022 120.500 0.155 0.000 2.072 182 R HA 0.413 4.759 4.340 0.010 0.000 0.214 182 R C 1.005 177.356 176.300 0.084 0.000 1.168 182 R CA 0.689 56.882 56.100 0.154 0.000 1.020 182 R CB 0.013 30.380 30.300 0.112 0.000 0.914 182 R HN 0.533 nan 8.270 nan 0.000 0.449 183 G N 0.000 108.838 108.800 0.063 0.000 5.446 183 G HA2 0.000 3.966 3.960 0.010 0.000 0.244 183 G HA3 0.000 3.966 3.960 0.010 0.000 0.244 183 G CA 0.000 45.127 45.100 0.045 0.000 0.502 183 G HN 0.000 nan 8.290 nan 0.000 0.925