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 2xk1_1_A DATA FIRST_RESID 1 DATA SEQUENCE RLTELREDID AILEDPALEG AVSGVVVVDT ATGEELYSRD GGEQLLPASN DATA SEQUENCE MKLFTAAAAL EVLGADHSFG TEVAAESAPG RRGEVQDLYL VGRGDPTLSA DATA SEQUENCE EDLDAMAAEV AASGVRTVRG DLYADDTWFD SERLVDDWWP EDEPYAYSAQ DATA SEQUENCE ISALTVAHGE RFDTGVTEVS VTPAAEGEPA DVDLGAAEGY AELDNRAVTG DATA SEQUENCE AAGSANTLVI DRPVGTNTIA VTGSLPADAA PVTALRTVDE PAALAGHLFE DATA SEQUENCE EALESNGVTV KGDVGLGGVP ADWQDAEVLA DHTSAELSEI LVPFMKFSNN DATA SEQUENCE GHAEMLVKSI GQETAGAGTW DAGLVGVEEA LSGLGVDTAG LVLNDGSGLS DATA SEQUENCE RGNLVTADTV VDLLGQAGSA PWAQTWSASL PVAGESDPFV GGTLANRMRG DATA SEQUENCE TAAEGVVEAK TGTMSGVSAL SGYVPGPEGE LAFSIVNNGH SGPAPLAVQD DATA SEQUENCE AIAVRLAEYA GHQAPE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 R HA 0.000 nan 4.340 nan 0.000 0.208 1 R C 0.000 176.379 176.300 0.132 0.000 0.893 1 R CA 0.000 56.215 56.100 0.192 0.000 0.921 1 R CB 0.000 30.435 30.300 0.226 0.000 0.687 2 L N 0.155 121.460 121.223 0.136 0.000 3.727 2 L HA -0.409 3.931 4.340 0.000 0.000 0.053 2 L C 1.614 178.496 176.870 0.021 0.000 4.196 2 L CA 3.176 58.050 54.840 0.056 0.000 0.843 2 L CB -2.194 39.918 42.059 0.089 0.000 3.418 2 L HN 0.724 nan 8.230 nan 0.000 0.804 3 T N -2.451 112.122 114.554 0.031 0.000 2.915 3 T HA -0.143 4.207 4.350 0.000 0.000 0.269 3 T C 1.501 176.217 174.700 0.025 0.000 1.071 3 T CA 1.493 63.606 62.100 0.022 0.000 1.132 3 T CB -0.229 68.649 68.868 0.016 0.000 0.878 3 T HN 0.636 nan 8.240 nan 0.000 0.479 4 E N 0.571 120.788 120.200 0.030 0.000 2.072 4 E HA -0.076 4.274 4.350 0.000 0.000 0.190 4 E C 2.079 178.685 176.600 0.011 0.000 0.982 4 E CA 0.662 57.079 56.400 0.027 0.000 0.803 4 E CB -0.158 29.568 29.700 0.042 0.000 0.755 4 E HN 0.398 nan 8.360 nan 0.000 0.453 5 L N 1.334 122.547 121.223 -0.017 0.000 2.056 5 L HA -0.105 4.235 4.340 0.000 0.000 0.207 5 L C 2.465 179.319 176.870 -0.026 0.000 1.078 5 L CA 1.638 56.423 54.840 -0.092 0.000 0.749 5 L CB -0.424 41.453 42.059 -0.303 0.000 0.901 5 L HN 0.004 nan 8.230 nan 0.000 0.433 6 R N -0.409 120.124 120.500 0.054 0.000 2.080 6 R HA -0.194 4.146 4.340 0.000 0.000 0.236 6 R C 2.288 178.681 176.300 0.155 0.000 1.137 6 R CA 2.004 58.221 56.100 0.195 0.000 0.943 6 R CB -0.260 30.097 30.300 0.096 0.000 0.846 6 R HN 0.488 nan 8.270 nan 0.000 0.431 7 E N -0.054 120.187 120.200 0.069 0.000 2.085 7 E HA -0.214 4.136 4.350 0.000 0.000 0.194 7 E C 1.565 178.183 176.600 0.030 0.000 0.994 7 E CA 1.588 58.017 56.400 0.047 0.000 0.801 7 E CB -0.075 29.640 29.700 0.026 0.000 0.743 7 E HN 0.380 nan 8.360 nan 0.000 0.453 8 D N 0.317 120.720 120.400 0.005 0.000 2.117 8 D HA -0.125 4.515 4.640 0.000 0.000 0.197 8 D C 1.915 178.182 176.300 -0.054 0.000 0.987 8 D CA 0.871 54.854 54.000 -0.027 0.000 0.829 8 D CB -0.114 40.657 40.800 -0.047 0.000 0.961 8 D HN 0.213 nan 8.370 nan 0.000 0.460 9 I N 0.768 121.290 120.570 -0.079 0.000 2.500 9 I HA -0.161 4.009 4.170 0.000 0.000 0.252 9 I C 1.593 177.680 176.117 -0.049 0.000 1.142 9 I CA 0.679 61.871 61.300 -0.181 0.000 1.451 9 I CB -0.137 37.538 38.000 -0.541 0.000 1.093 9 I HN -0.113 nan 8.210 nan 0.000 0.430 10 D N 1.615 122.074 120.400 0.098 0.000 2.149 10 D HA -0.176 4.464 4.640 0.000 0.000 0.198 10 D C 2.263 178.588 176.300 0.042 0.000 0.990 10 D CA 1.633 55.701 54.000 0.114 0.000 0.839 10 D CB -0.086 40.780 40.800 0.110 0.000 0.948 10 D HN 0.359 nan 8.370 nan 0.000 0.460 11 A N 1.042 123.871 122.820 0.016 0.000 1.858 11 A HA -0.139 4.181 4.320 0.000 0.000 0.216 11 A C 2.420 179.995 177.584 -0.015 0.000 1.190 11 A CA 0.968 53.004 52.037 -0.001 0.000 0.617 11 A CB -0.814 18.181 19.000 -0.008 0.000 0.827 11 A HN 0.176 nan 8.150 nan 0.000 0.443 12 I N -0.194 120.355 120.570 -0.036 0.000 2.194 12 I HA -0.262 3.908 4.170 0.000 0.000 0.246 12 I C 2.009 178.101 176.117 -0.041 0.000 1.093 12 I CA 1.153 62.422 61.300 -0.052 0.000 1.355 12 I CB -0.318 37.629 38.000 -0.087 0.000 1.046 12 I HN 0.255 nan 8.210 nan 0.000 0.413 13 L N 0.383 121.588 121.223 -0.029 0.000 2.622 13 L HA -0.071 4.269 4.340 0.000 0.000 0.233 13 L C 2.030 178.903 176.870 0.004 0.000 1.156 13 L CA 0.465 55.298 54.840 -0.011 0.000 0.866 13 L CB -0.340 41.729 42.059 0.018 0.000 0.980 13 L HN 0.269 nan 8.230 nan 0.000 0.448 14 E N -0.659 119.542 120.200 0.002 0.000 2.400 14 E HA -0.042 4.308 4.350 0.000 0.000 0.195 14 E C 0.396 176.996 176.600 -0.001 0.000 1.012 14 E CA -0.040 56.364 56.400 0.006 0.000 0.875 14 E CB 0.014 29.719 29.700 0.008 0.000 0.859 14 E HN 0.347 nan 8.360 nan 0.000 0.498 15 D N 2.417 122.811 120.400 -0.010 0.000 3.046 15 D HA -0.134 4.506 4.640 0.000 0.000 0.213 15 D C -1.415 174.880 176.300 -0.008 0.000 1.074 15 D CA -0.449 53.542 54.000 -0.015 0.000 0.785 15 D CB 1.052 41.835 40.800 -0.028 0.000 1.160 15 D HN -0.015 nan 8.370 nan 0.000 0.524 16 P HA -0.128 nan 4.420 nan 0.000 0.229 16 P C 0.754 178.058 177.300 0.005 0.000 1.150 16 P CA 0.744 63.845 63.100 0.002 0.000 0.765 16 P CB 0.120 31.821 31.700 0.001 0.000 0.783 17 A N 0.138 122.956 122.820 -0.004 0.000 1.930 17 A HA -0.026 4.294 4.320 0.000 0.000 0.215 17 A C 2.099 179.690 177.584 0.013 0.000 1.176 17 A CA 0.776 52.812 52.037 -0.002 0.000 0.632 17 A CB -1.231 17.751 19.000 -0.031 0.000 0.819 17 A HN 0.174 nan 8.150 nan 0.000 0.445 18 L N 0.510 121.733 121.223 0.000 0.000 2.627 18 L HA 0.048 4.388 4.340 0.000 0.000 0.233 18 L C 0.688 177.582 176.870 0.041 0.000 1.144 18 L CA -0.239 54.611 54.840 0.016 0.000 0.892 18 L CB -0.489 41.567 42.059 -0.004 0.000 1.039 18 L HN 0.456 nan 8.230 nan 0.000 0.442 19 E N 1.254 121.477 120.200 0.038 0.000 2.480 19 E HA 0.115 4.465 4.350 0.000 0.000 0.258 19 E C 1.175 177.802 176.600 0.044 0.000 0.984 19 E CA 0.829 57.249 56.400 0.035 0.000 0.930 19 E CB 0.294 30.010 29.700 0.027 0.000 0.936 19 E HN 0.291 nan 8.360 nan 0.000 0.466 20 G N 2.409 111.231 108.800 0.036 0.000 2.160 20 G HA2 -0.127 3.833 3.960 0.000 0.000 0.251 20 G HA3 -0.127 3.833 3.960 0.000 0.000 0.251 20 G C 0.118 175.044 174.900 0.043 0.000 1.008 20 G CA 0.238 45.359 45.100 0.034 0.000 0.724 20 G HN 1.036 nan 8.290 nan 0.000 0.514 21 A N -1.077 121.776 122.820 0.056 0.000 2.413 21 A HA 0.907 5.227 4.320 0.000 0.000 0.307 21 A C -0.066 177.554 177.584 0.060 0.000 1.087 21 A CA -0.155 51.925 52.037 0.072 0.000 0.750 21 A CB 2.077 21.152 19.000 0.125 0.000 1.296 21 A HN 1.290 nan 8.150 nan 0.000 0.423 22 V N 0.861 120.811 119.914 0.061 0.000 2.539 22 V HA 0.675 4.795 4.120 0.000 0.000 0.292 22 V C 0.099 176.229 176.094 0.061 0.000 1.045 22 V CA -0.394 61.938 62.300 0.054 0.000 0.945 22 V CB 1.326 33.176 31.823 0.046 0.000 0.993 22 V HN 0.798 nan 8.190 nan 0.000 0.464 23 S N 2.103 117.838 115.700 0.058 0.000 2.775 23 S HA 0.521 4.991 4.470 0.000 0.000 0.277 23 S C 0.203 174.847 174.600 0.073 0.000 1.156 23 S CA -0.503 57.733 58.200 0.060 0.000 1.081 23 S CB 1.510 64.739 63.200 0.048 0.000 1.054 23 S HN 1.172 nan 8.310 nan 0.000 0.482 24 G N 1.911 110.756 108.800 0.074 0.000 2.365 24 G HA2 0.495 4.455 3.960 0.000 0.000 0.293 24 G HA3 0.495 4.455 3.960 0.000 0.000 0.293 24 G C -0.503 174.459 174.900 0.103 0.000 1.128 24 G CA -0.301 44.852 45.100 0.089 0.000 0.971 24 G HN 0.593 nan 8.290 nan 0.000 0.422 25 V N 3.239 123.237 119.914 0.140 0.000 2.407 25 V HA 0.504 4.624 4.120 0.000 0.000 0.291 25 V C -0.362 175.878 176.094 0.243 0.000 1.018 25 V CA -0.753 61.640 62.300 0.154 0.000 0.842 25 V CB 1.546 33.427 31.823 0.096 0.000 0.996 25 V HN 0.475 nan 8.190 nan 0.000 0.426 26 V N 5.297 125.333 119.914 0.204 0.000 2.686 26 V HA 0.612 4.732 4.120 0.000 0.000 0.306 26 V C -0.608 175.612 176.094 0.210 0.000 1.065 26 V CA -0.530 61.896 62.300 0.211 0.000 0.894 26 V CB 2.421 34.333 31.823 0.147 0.000 1.004 26 V HN 0.618 nan 8.190 nan 0.000 0.424 27 V N 5.025 125.068 119.914 0.214 0.000 2.588 27 V HA 0.731 4.851 4.120 0.000 0.000 0.304 27 V C -0.659 175.529 176.094 0.157 0.000 1.042 27 V CA -0.635 61.781 62.300 0.193 0.000 0.877 27 V CB 2.131 34.040 31.823 0.143 0.000 0.996 27 V HN 0.577 nan 8.190 nan 0.000 0.425 28 V N 2.629 122.637 119.914 0.155 0.000 2.808 28 V HA 0.400 4.520 4.120 0.000 0.000 0.308 28 V C -0.906 175.262 176.094 0.124 0.000 1.099 28 V CA -0.624 61.750 62.300 0.123 0.000 0.920 28 V CB 2.329 34.212 31.823 0.100 0.000 1.014 28 V HN 0.948 nan 8.190 nan 0.000 0.425 29 D N 2.659 123.124 120.400 0.108 0.000 2.343 29 D HA 0.133 4.773 4.640 0.000 0.000 0.255 29 D C 1.180 177.511 176.300 0.052 0.000 1.187 29 D CA 0.253 54.309 54.000 0.093 0.000 0.875 29 D CB 2.016 42.872 40.800 0.093 0.000 1.136 29 D HN 0.622 nan 8.370 nan 0.000 0.469 30 T N 3.008 117.579 114.554 0.028 0.000 2.720 30 T HA -0.167 4.183 4.350 0.000 0.000 0.268 30 T C 1.660 176.348 174.700 -0.020 0.000 1.037 30 T CA 1.762 63.852 62.100 -0.018 0.000 1.144 30 T CB 0.064 68.883 68.868 -0.082 0.000 0.864 30 T HN 0.595 nan 8.240 nan 0.000 0.444 31 A N 1.517 124.330 122.820 -0.011 0.000 1.832 31 A HA -0.081 4.239 4.320 0.000 0.000 0.214 31 A C 2.622 180.205 177.584 -0.002 0.000 1.204 31 A CA 2.205 54.235 52.037 -0.012 0.000 0.606 31 A CB -1.314 17.680 19.000 -0.010 0.000 0.849 31 A HN 0.590 nan 8.150 nan 0.000 0.445 32 T N -3.700 110.862 114.554 0.013 0.000 3.035 32 T HA 0.292 4.642 4.350 0.000 0.000 0.268 32 T C 1.646 176.357 174.700 0.019 0.000 1.109 32 T CA 1.347 63.457 62.100 0.018 0.000 1.119 32 T CB -0.384 68.502 68.868 0.030 0.000 0.900 32 T HN 1.823 nan 8.240 nan 0.000 0.503 33 G N 1.053 109.865 108.800 0.020 0.000 2.302 33 G HA2 -0.350 3.610 3.960 0.000 0.000 0.263 33 G HA3 -0.350 3.610 3.960 0.000 0.000 0.263 33 G C -0.028 174.892 174.900 0.032 0.000 0.995 33 G CA 0.533 45.645 45.100 0.021 0.000 0.622 33 G HN 0.840 nan 8.290 nan 0.000 0.538 34 E N 1.252 121.475 120.200 0.038 0.000 2.415 34 E HA 0.271 4.621 4.350 0.000 0.000 0.262 34 E C 0.372 177.006 176.600 0.056 0.000 1.038 34 E CA -0.093 56.333 56.400 0.044 0.000 0.921 34 E CB 0.259 29.987 29.700 0.047 0.000 0.950 34 E HN 0.483 nan 8.360 nan 0.000 0.438 35 E N 4.185 124.415 120.200 0.050 0.000 2.229 35 E HA 0.068 4.418 4.350 0.000 0.000 0.283 35 E C 0.202 176.840 176.600 0.063 0.000 1.030 35 E CA -0.204 56.232 56.400 0.059 0.000 0.836 35 E CB 0.646 30.371 29.700 0.042 0.000 1.068 35 E HN 0.575 nan 8.360 nan 0.000 0.401 36 L N 4.346 125.623 121.223 0.089 0.000 2.638 36 L HA 0.291 4.631 4.340 0.000 0.000 0.232 36 L C -0.337 176.611 176.870 0.130 0.000 1.099 36 L CA -0.185 54.707 54.840 0.087 0.000 0.883 36 L CB 0.417 42.527 42.059 0.084 0.000 1.136 36 L HN 0.558 nan 8.230 nan 0.000 0.492 37 Y N -0.653 119.646 120.300 -0.002 0.000 2.465 37 Y HA 0.478 5.028 4.550 0.000 0.000 0.323 37 Y C -1.172 174.737 175.900 0.016 0.000 1.191 37 Y CA -0.928 57.169 58.100 -0.007 0.000 1.082 37 Y CB 1.761 40.206 38.460 -0.025 0.000 1.334 37 Y HN -0.213 nan 8.280 nan 0.000 0.449 38 S N 5.378 120.957 115.700 -0.202 0.000 2.536 38 S HA 0.832 5.303 4.470 0.000 0.000 0.271 38 S C -1.911 172.607 174.600 -0.137 0.000 1.134 38 S CA -0.674 57.508 58.200 -0.030 0.000 0.897 38 S CB 1.511 64.698 63.200 -0.021 0.000 1.094 38 S HN 0.792 nan 8.310 nan 0.000 0.473 39 R N 2.522 123.056 120.500 0.057 0.000 2.678 39 R HA 0.250 4.590 4.340 0.000 0.000 0.267 39 R C -1.340 175.008 176.300 0.081 0.000 1.173 39 R CA -0.127 56.005 56.100 0.053 0.000 1.061 39 R CB 0.594 30.976 30.300 0.135 0.000 1.262 39 R HN 0.837 nan 8.270 nan 0.000 0.427 40 D N 2.098 122.527 120.400 0.048 0.000 2.860 40 D HA -0.206 4.434 4.640 0.000 0.000 0.229 40 D C 1.213 177.547 176.300 0.058 0.000 1.169 40 D CA 1.535 55.563 54.000 0.048 0.000 0.737 40 D CB -0.622 40.208 40.800 0.051 0.000 1.080 40 D HN 0.841 nan 8.370 nan 0.000 0.424 41 G N 0.072 108.908 108.800 0.061 0.000 2.479 41 G HA2 -0.054 3.906 3.960 0.000 0.000 0.220 41 G HA3 -0.054 3.906 3.960 0.000 0.000 0.220 41 G C 1.321 176.257 174.900 0.061 0.000 1.115 41 G CA 0.636 45.779 45.100 0.070 0.000 0.757 41 G HN 0.536 nan 8.290 nan 0.000 0.560 42 G N -0.486 108.342 108.800 0.047 0.000 3.707 42 G HA2 0.416 4.376 3.960 0.000 0.000 0.286 42 G HA3 0.416 4.376 3.960 0.000 0.000 0.286 42 G C -0.115 174.806 174.900 0.035 0.000 1.112 42 G CA -0.309 44.815 45.100 0.040 0.000 0.861 42 G HN 0.345 nan 8.290 nan 0.000 0.534 43 E N 0.593 120.817 120.200 0.040 0.000 2.216 43 E HA 0.332 4.682 4.350 0.000 0.000 0.279 43 E C 0.130 176.750 176.600 0.033 0.000 0.997 43 E CA -0.384 56.036 56.400 0.034 0.000 0.817 43 E CB 0.699 30.422 29.700 0.037 0.000 1.096 43 E HN 0.184 nan 8.360 nan 0.000 0.393 44 Q N 3.349 123.164 119.800 0.024 0.000 2.295 44 Q HA 0.409 4.749 4.340 0.000 0.000 0.259 44 Q C -0.723 175.289 176.000 0.020 0.000 0.976 44 Q CA -0.040 55.774 55.803 0.017 0.000 0.923 44 Q CB 0.692 29.434 28.738 0.007 0.000 1.185 44 Q HN 0.453 nan 8.270 nan 0.000 0.410 45 L N 2.264 123.500 121.223 0.021 0.000 2.465 45 L HA 0.473 4.813 4.340 0.000 0.000 0.257 45 L C -0.749 176.133 176.870 0.019 0.000 0.988 45 L CA -0.997 53.858 54.840 0.025 0.000 0.827 45 L CB 1.604 43.687 42.059 0.039 0.000 1.397 45 L HN 0.429 nan 8.230 nan 0.000 0.410 46 L N 2.482 123.714 121.223 0.016 0.000 2.410 46 L HA 0.226 4.566 4.340 0.000 0.000 0.273 46 L C -1.485 175.397 176.870 0.020 0.000 1.144 46 L CA -1.287 53.558 54.840 0.009 0.000 0.863 46 L CB 0.256 42.313 42.059 -0.003 0.000 1.140 46 L HN 0.429 nan 8.230 nan 0.000 0.463 47 P HA -0.016 nan 4.420 nan 0.000 0.245 47 P C 0.933 178.250 177.300 0.028 0.000 1.206 47 P CA 0.851 63.982 63.100 0.052 0.000 0.781 47 P CB 0.520 32.279 31.700 0.099 0.000 0.994 48 A N 0.948 123.769 122.820 0.002 0.000 5.468 48 A HA -0.324 3.996 4.320 0.000 0.000 0.338 48 A C 2.001 179.589 177.584 0.006 0.000 1.722 48 A CA 2.196 54.218 52.037 -0.025 0.000 0.740 48 A CB -2.344 16.621 19.000 -0.058 0.000 1.424 48 A HN 0.213 nan 8.150 nan 0.000 0.408 49 S N 0.463 116.154 115.700 -0.015 0.000 2.500 49 S HA -0.117 4.354 4.470 0.000 0.000 0.239 49 S C 1.497 176.106 174.600 0.014 0.000 0.989 49 S CA 1.310 59.511 58.200 0.003 0.000 0.951 49 S CB -0.707 62.473 63.200 -0.033 0.000 0.759 49 S HN 0.626 nan 8.310 nan 0.000 0.523 50 N N 1.412 120.126 118.700 0.023 0.000 2.289 50 N HA -0.054 4.686 4.740 0.000 0.000 0.184 50 N C 1.478 177.091 175.510 0.171 0.000 1.016 50 N CA 0.618 53.694 53.050 0.042 0.000 0.872 50 N CB -0.377 38.139 38.487 0.047 0.000 0.973 50 N HN 0.260 nan 8.380 nan 0.000 0.433 51 M N 1.463 121.192 119.600 0.216 0.000 2.108 51 M HA -0.204 4.276 4.480 0.000 0.000 0.257 51 M C 1.428 177.926 176.300 0.331 0.000 1.071 51 M CA 1.634 57.126 55.300 0.321 0.000 1.093 51 M CB -0.317 32.392 32.600 0.182 0.000 1.345 51 M HN -0.015 nan 8.290 nan 0.000 0.403 52 K N -0.387 120.128 120.400 0.192 0.000 2.144 52 K HA -0.236 4.084 4.320 0.000 0.000 0.209 52 K C 1.877 178.527 176.600 0.083 0.000 1.047 52 K CA 1.977 58.349 56.287 0.142 0.000 0.927 52 K CB -0.715 31.781 32.500 -0.007 0.000 0.716 52 K HN 0.435 nan 8.250 nan 0.000 0.454 53 L N -0.317 120.921 121.223 0.025 0.000 1.989 53 L HA -0.221 4.119 4.340 0.000 0.000 0.211 53 L C 2.298 179.273 176.870 0.175 0.000 1.071 53 L CA 1.557 56.422 54.840 0.042 0.000 0.749 53 L CB -0.642 41.358 42.059 -0.098 0.000 0.890 53 L HN 0.085 nan 8.230 nan 0.000 0.431 54 F N -0.253 119.813 119.950 0.194 0.000 2.091 54 F HA -0.263 4.264 4.527 0.000 0.000 0.299 54 F C 2.687 178.572 175.800 0.142 0.000 1.103 54 F CA 1.832 59.920 58.000 0.146 0.000 1.228 54 F CB -1.219 37.843 39.000 0.103 0.000 0.984 54 F HN -0.001 nan 8.300 nan 0.000 0.477 55 T N -0.114 114.649 114.554 0.349 0.000 2.674 55 T HA -0.181 4.169 4.350 0.000 0.000 0.265 55 T C 2.306 177.157 174.700 0.252 0.000 1.039 55 T CA 1.347 63.618 62.100 0.284 0.000 1.150 55 T CB -0.740 68.326 68.868 0.330 0.000 0.864 55 T HN 0.306 nan 8.240 nan 0.000 0.427 56 A N 1.442 124.429 122.820 0.278 0.000 1.917 56 A HA -0.007 4.313 4.320 0.000 0.000 0.219 56 A C 2.583 180.247 177.584 0.133 0.000 1.182 56 A CA 2.158 54.343 52.037 0.247 0.000 0.633 56 A CB -1.085 17.999 19.000 0.140 0.000 0.819 56 A HN 0.535 nan 8.150 nan 0.000 0.448 57 A N -0.535 122.357 122.820 0.120 0.000 1.897 57 A HA 0.286 4.606 4.320 0.000 0.000 0.215 57 A C 2.517 179.922 177.584 -0.298 0.000 1.181 57 A CA 1.785 53.627 52.037 -0.324 0.000 0.620 57 A CB -1.022 17.786 19.000 -0.320 0.000 0.821 57 A HN 1.069 nan 8.150 nan 0.000 0.443 58 A N 0.156 122.945 122.820 -0.053 0.000 1.883 58 A HA 0.084 4.404 4.320 0.000 0.000 0.217 58 A C 2.517 180.069 177.584 -0.053 0.000 1.186 58 A CA 2.370 54.402 52.037 -0.008 0.000 0.624 58 A CB -1.093 17.951 19.000 0.073 0.000 0.822 58 A HN 1.050 nan 8.150 nan 0.000 0.444 59 A N -0.418 122.383 122.820 -0.032 0.000 1.877 59 A HA -0.024 4.296 4.320 0.000 0.000 0.216 59 A C 2.192 179.707 177.584 -0.116 0.000 1.186 59 A CA 1.469 53.492 52.037 -0.024 0.000 0.620 59 A CB -0.670 18.370 19.000 0.067 0.000 0.822 59 A HN 0.471 nan 8.150 nan 0.000 0.443 60 L N -0.537 120.526 121.223 -0.267 0.000 2.013 60 L HA -0.245 4.095 4.340 0.000 0.000 0.212 60 L C 2.791 179.408 176.870 -0.421 0.000 1.073 60 L CA 1.615 56.156 54.840 -0.498 0.000 0.753 60 L CB -0.593 40.765 42.059 -1.167 0.000 0.890 60 L HN 0.374 nan 8.230 nan 0.000 0.432 61 E N -0.192 119.797 120.200 -0.351 0.000 2.023 61 E HA -0.197 4.153 4.350 0.000 0.000 0.196 61 E C 2.262 178.867 176.600 0.009 0.000 1.003 61 E CA 1.505 57.889 56.400 -0.026 0.000 0.809 61 E CB -0.373 29.358 29.700 0.051 0.000 0.755 61 E HN 0.310 nan 8.360 nan 0.000 0.449 62 V N 0.669 120.574 119.914 -0.016 0.000 2.788 62 V HA -0.115 4.005 4.120 0.000 0.000 0.251 62 V C 2.180 178.277 176.094 0.006 0.000 1.068 62 V CA 1.010 63.315 62.300 0.007 0.000 1.090 62 V CB -0.180 31.646 31.823 0.005 0.000 0.710 62 V HN 0.152 nan 8.190 nan 0.000 0.467 63 L N -0.570 120.636 121.223 -0.028 0.000 2.642 63 L HA 0.574 4.914 4.340 0.000 0.000 0.233 63 L C 1.072 177.983 176.870 0.069 0.000 1.077 63 L CA 0.579 55.400 54.840 -0.031 0.000 0.879 63 L CB -0.072 41.811 42.059 -0.294 0.000 1.151 63 L HN 0.419 nan 8.230 nan 0.000 0.495 64 G N 0.324 109.146 108.800 0.036 0.000 2.767 64 G HA2 -0.112 3.848 3.960 0.000 0.000 0.686 64 G HA3 -0.112 3.848 3.960 0.000 0.000 0.686 64 G C 0.581 175.528 174.900 0.079 0.000 1.213 64 G CA -0.291 44.853 45.100 0.075 0.000 0.803 64 G HN 0.211 nan 8.290 nan 0.000 0.603 65 A N 0.613 123.495 122.820 0.103 0.000 2.178 65 A HA 0.123 4.443 4.320 0.000 0.000 0.218 65 A C 1.834 179.483 177.584 0.108 0.000 1.157 65 A CA 2.194 54.301 52.037 0.118 0.000 0.689 65 A CB -0.150 18.959 19.000 0.181 0.000 0.787 65 A HN 1.381 nan 8.150 nan 0.000 0.465 66 D N -1.873 118.580 120.400 0.089 0.000 2.462 66 D HA 0.033 4.673 4.640 0.000 0.000 0.221 66 D C 0.152 176.464 176.300 0.019 0.000 1.173 66 D CA -0.535 53.498 54.000 0.055 0.000 0.831 66 D CB -0.902 39.920 40.800 0.036 0.000 1.001 66 D HN 0.576 nan 8.370 nan 0.000 0.499 67 H N 1.345 120.369 119.070 -0.076 0.000 2.764 67 H HA 0.272 4.828 4.556 0.000 0.000 0.341 67 H C -0.119 175.037 175.328 -0.286 0.000 1.072 67 H CA 0.205 56.136 56.048 -0.194 0.000 1.444 67 H CB 0.763 30.378 29.762 -0.245 0.000 1.458 67 H HN 0.060 nan 8.280 nan 0.000 0.572 68 S N 4.350 119.773 115.700 -0.462 0.000 2.536 68 S HA 0.475 4.945 4.470 0.000 0.000 0.298 68 S C -1.073 173.283 174.600 -0.407 0.000 1.083 68 S CA -0.958 57.069 58.200 -0.289 0.000 0.995 68 S CB 1.122 64.206 63.200 -0.192 0.000 1.058 68 S HN 0.403 nan 8.310 nan 0.000 0.488 69 F N 0.915 120.842 119.950 -0.039 0.000 2.397 69 F HA 0.728 5.255 4.527 0.000 0.000 0.331 69 F C 1.092 176.794 175.800 -0.164 0.000 1.090 69 F CA -0.352 57.602 58.000 -0.076 0.000 1.065 69 F CB 1.500 40.462 39.000 -0.062 0.000 1.184 69 F HN 0.920 nan 8.300 nan 0.000 0.499 70 G N 0.450 109.211 108.800 -0.064 0.000 2.452 70 G HA2 0.618 4.578 3.960 0.000 0.000 0.324 70 G HA3 0.618 4.578 3.960 0.000 0.000 0.324 70 G C -1.285 173.532 174.900 -0.139 0.000 1.214 70 G CA -0.606 44.413 45.100 -0.135 0.000 0.947 70 G HN 0.550 nan 8.290 nan 0.000 0.478 71 T N 0.682 115.189 114.554 -0.079 0.000 2.887 71 T HA 0.694 5.045 4.350 0.000 0.000 0.288 71 T C -0.474 174.174 174.700 -0.086 0.000 1.021 71 T CA -0.683 61.357 62.100 -0.099 0.000 1.000 71 T CB 2.054 70.873 68.868 -0.082 0.000 1.034 71 T HN 0.806 nan 8.240 nan 0.000 0.467 72 E N -0.252 119.889 120.200 -0.097 0.000 2.449 72 E HA 0.734 5.084 4.350 0.000 0.000 0.278 72 E C -1.829 174.749 176.600 -0.036 0.000 0.992 72 E CA -1.117 55.248 56.400 -0.058 0.000 0.807 72 E CB 1.515 31.189 29.700 -0.044 0.000 1.350 72 E HN 0.281 nan 8.360 nan 0.000 0.462 73 V N 0.169 120.096 119.914 0.022 0.000 2.540 73 V HA 0.814 4.934 4.120 0.000 0.000 0.302 73 V C -0.762 175.428 176.094 0.160 0.000 1.035 73 V CA -0.339 62.024 62.300 0.105 0.000 0.873 73 V CB 1.290 33.203 31.823 0.150 0.000 0.992 73 V HN 0.881 nan 8.190 nan 0.000 0.428 74 A N 3.489 126.463 122.820 0.256 0.000 2.449 74 A HA 1.022 5.342 4.320 0.000 0.000 0.302 74 A C -0.514 177.331 177.584 0.435 0.000 1.048 74 A CA -0.161 52.052 52.037 0.294 0.000 0.708 74 A CB 1.957 21.132 19.000 0.291 0.000 1.274 74 A HN 1.462 nan 8.150 nan 0.000 0.410 75 A N 0.354 123.321 122.820 0.244 0.000 2.430 75 A HA 0.713 5.033 4.320 0.000 0.000 0.300 75 A C 0.621 177.947 177.584 -0.430 0.000 1.124 75 A CA -0.002 52.081 52.037 0.076 0.000 0.766 75 A CB 1.029 20.061 19.000 0.053 0.000 1.328 75 A HN 0.950 nan 8.150 nan 0.000 0.424 76 E N 0.053 119.594 120.200 -1.097 0.000 2.110 76 E HA -0.049 4.302 4.350 0.000 0.000 0.193 76 E C 0.129 176.404 176.600 -0.541 0.000 0.988 76 E CA 1.488 57.112 56.400 -1.292 0.000 0.804 76 E CB 0.103 28.959 29.700 -1.407 0.000 0.745 76 E HN 0.615 nan 8.360 nan 0.000 0.458 77 S N -1.474 114.026 115.700 -0.333 0.000 2.685 77 S HA 0.621 5.091 4.470 0.000 0.000 0.282 77 S C -0.967 173.566 174.600 -0.111 0.000 1.159 77 S CA -0.556 57.535 58.200 -0.183 0.000 0.833 77 S CB 1.710 64.821 63.200 -0.148 0.000 1.151 77 S HN 0.320 nan 8.310 nan 0.000 0.485 78 A N 2.437 125.214 122.820 -0.072 0.000 2.466 78 A HA 0.520 4.840 4.320 0.000 0.000 0.238 78 A C -2.245 175.317 177.584 -0.036 0.000 1.074 78 A CA -0.775 51.237 52.037 -0.041 0.000 0.774 78 A CB -0.944 18.037 19.000 -0.031 0.000 1.015 78 A HN 0.527 nan 8.150 nan 0.000 0.498 79 P HA 0.183 nan 4.420 nan 0.000 0.267 79 P C 0.152 177.441 177.300 -0.018 0.000 1.200 79 P CA 0.345 63.435 63.100 -0.016 0.000 0.772 79 P CB 0.394 32.090 31.700 -0.007 0.000 0.855 80 G N 2.142 110.932 108.800 -0.017 0.000 2.348 80 G HA2 0.334 4.294 3.960 0.000 0.000 0.312 80 G HA3 0.334 4.294 3.960 0.000 0.000 0.312 80 G C 1.128 176.021 174.900 -0.012 0.000 1.126 80 G CA -0.566 44.525 45.100 -0.016 0.000 0.865 80 G HN 0.633 nan 8.290 nan 0.000 0.474 81 R N 1.660 122.153 120.500 -0.011 0.000 2.506 81 R HA -0.337 4.003 4.340 0.000 0.000 0.216 81 R C 1.228 177.523 176.300 -0.008 0.000 0.900 81 R CA 2.233 58.327 56.100 -0.009 0.000 0.778 81 R CB -0.618 29.677 30.300 -0.008 0.000 0.885 81 R HN 0.443 nan 8.270 nan 0.000 0.408 82 R N 1.297 121.792 120.500 -0.008 0.000 2.319 82 R HA 0.116 4.456 4.340 0.000 0.000 0.204 82 R C 1.079 177.373 176.300 -0.009 0.000 0.954 82 R CA 0.782 56.877 56.100 -0.008 0.000 1.066 82 R CB 0.118 30.413 30.300 -0.008 0.000 0.991 82 R HN 0.760 nan 8.270 nan 0.000 0.486 83 G N 1.792 110.587 108.800 -0.009 0.000 2.204 83 G HA2 -0.265 3.695 3.960 0.000 0.000 0.244 83 G HA3 -0.265 3.695 3.960 0.000 0.000 0.244 83 G C -0.513 174.381 174.900 -0.010 0.000 1.062 83 G CA -0.099 44.996 45.100 -0.009 0.000 0.798 83 G HN 0.402 nan 8.290 nan 0.000 0.496 84 E N -1.110 119.085 120.200 -0.009 0.000 2.212 84 E HA 0.750 5.100 4.350 0.000 0.000 0.270 84 E C 0.412 177.008 176.600 -0.006 0.000 0.956 84 E CA -0.522 55.873 56.400 -0.008 0.000 0.825 84 E CB 2.784 32.479 29.700 -0.007 0.000 1.167 84 E HN 0.911 nan 8.360 nan 0.000 0.400 85 V N -1.128 118.786 119.914 0.001 0.000 3.160 85 V HA 0.388 4.508 4.120 0.000 0.000 0.310 85 V C 0.013 176.123 176.094 0.026 0.000 1.181 85 V CA -0.795 61.511 62.300 0.010 0.000 1.047 85 V CB 2.020 33.857 31.823 0.023 0.000 1.068 85 V HN 0.568 nan 8.190 nan 0.000 0.441 86 Q N 0.434 120.264 119.800 0.051 0.000 1.865 86 Q HA 0.281 4.622 4.340 0.000 0.000 0.268 86 Q C -0.158 175.910 176.000 0.112 0.000 0.961 86 Q CA 0.741 56.592 55.803 0.080 0.000 0.870 86 Q CB -0.051 28.750 28.738 0.105 0.000 0.929 86 Q HN 0.918 nan 8.270 nan 0.000 0.450 87 D N 0.367 120.904 120.400 0.229 0.000 2.348 87 D HA 0.407 5.047 4.640 0.000 0.000 0.249 87 D C -0.344 176.168 176.300 0.353 0.000 1.110 87 D CA -0.143 54.018 54.000 0.269 0.000 0.967 87 D CB 1.153 42.250 40.800 0.496 0.000 1.139 87 D HN 0.048 nan 8.370 nan 0.000 0.466 88 L N 1.210 122.554 121.223 0.202 0.000 2.472 88 L HA 0.335 4.675 4.340 0.000 0.000 0.260 88 L C -1.792 175.157 176.870 0.131 0.000 0.963 88 L CA -0.668 54.332 54.840 0.267 0.000 0.829 88 L CB 1.726 43.866 42.059 0.134 0.000 1.348 88 L HN 0.407 nan 8.230 nan 0.000 0.408 89 Y N 3.530 124.000 120.300 0.283 0.000 2.338 89 Y HA 0.412 4.962 4.550 0.000 0.000 0.333 89 Y C -0.219 175.772 175.900 0.152 0.000 0.968 89 Y CA -0.581 57.647 58.100 0.214 0.000 1.123 89 Y CB 2.207 40.751 38.460 0.139 0.000 1.165 89 Y HN 0.393 nan 8.280 nan 0.000 0.452 90 L N 5.095 126.449 121.223 0.217 0.000 2.260 90 L HA 0.699 5.039 4.340 0.000 0.000 0.289 90 L C -1.224 175.669 176.870 0.039 0.000 1.057 90 L CA -0.356 54.501 54.840 0.028 0.000 0.811 90 L CB 0.557 42.561 42.059 -0.091 0.000 1.184 90 L HN 0.416 nan 8.230 nan 0.000 0.429 91 V N 5.360 125.267 119.914 -0.013 0.000 2.350 91 V HA 0.605 4.725 4.120 0.000 0.000 0.285 91 V C 0.708 176.738 176.094 -0.108 0.000 1.014 91 V CA -0.453 61.833 62.300 -0.023 0.000 0.831 91 V CB 1.133 32.948 31.823 -0.013 0.000 1.000 91 V HN 0.892 nan 8.190 nan 0.000 0.433 92 G N 3.455 112.185 108.800 -0.117 0.000 2.372 92 G HA2 0.533 4.493 3.960 0.000 0.000 0.283 92 G HA3 0.533 4.493 3.960 0.000 0.000 0.283 92 G C 0.064 174.784 174.900 -0.300 0.000 1.177 92 G CA -0.530 44.459 45.100 -0.185 0.000 0.842 92 G HN 0.696 nan 8.290 nan 0.000 0.503 93 R N 1.183 121.417 120.500 -0.443 0.000 2.903 93 R HA 0.362 4.702 4.340 0.000 0.000 0.363 93 R C 0.970 176.923 176.300 -0.578 0.000 1.161 93 R CA 0.302 55.862 56.100 -0.900 0.000 1.109 93 R CB 0.738 30.261 30.300 -1.295 0.000 1.399 93 R HN 0.972 nan 8.270 nan 0.000 0.587 94 G N 0.911 109.467 108.800 -0.408 0.000 2.130 94 G HA2 -0.238 3.722 3.960 0.000 0.000 0.216 94 G HA3 -0.238 3.722 3.960 0.000 0.000 0.216 94 G C -0.472 174.252 174.900 -0.293 0.000 0.999 94 G CA -0.099 44.825 45.100 -0.293 0.000 0.686 94 G HN 0.428 nan 8.290 nan 0.000 0.515 95 D N 0.937 121.185 120.400 -0.253 0.000 2.338 95 D HA 0.352 4.992 4.640 0.000 0.000 0.255 95 D C -0.616 175.459 176.300 -0.375 0.000 1.237 95 D CA -1.745 52.060 54.000 -0.325 0.000 0.883 95 D CB 1.240 41.980 40.800 -0.099 0.000 1.087 95 D HN 0.207 nan 8.370 nan 0.000 0.485 96 P HA 0.038 nan 4.420 nan 0.000 0.255 96 P C 0.406 177.495 177.300 -0.353 0.000 1.301 96 P CA 0.367 63.210 63.100 -0.428 0.000 0.817 96 P CB 0.026 31.317 31.700 -0.681 0.000 1.259 97 T N -4.894 109.430 114.554 -0.383 0.000 3.262 97 T HA 0.142 4.492 4.350 0.000 0.000 0.300 97 T C 0.359 174.950 174.700 -0.181 0.000 0.959 97 T CA -0.380 61.422 62.100 -0.496 0.000 0.936 97 T CB -0.273 67.860 68.868 -1.225 0.000 1.169 97 T HN -0.083 nan 8.240 nan 0.000 0.532 98 L N 4.357 125.519 121.223 -0.101 0.000 2.562 98 L HA 0.403 4.743 4.340 0.000 0.000 0.271 98 L C 0.320 177.180 176.870 -0.017 0.000 1.167 98 L CA 0.538 55.330 54.840 -0.080 0.000 0.917 98 L CB 0.249 42.251 42.059 -0.095 0.000 1.187 98 L HN 0.635 nan 8.230 nan 0.000 0.482 99 S N 3.571 119.256 115.700 -0.024 0.000 2.681 99 S HA 0.575 5.045 4.470 0.000 0.000 0.299 99 S C 0.998 175.594 174.600 -0.006 0.000 1.113 99 S CA -0.211 58.015 58.200 0.044 0.000 1.013 99 S CB 1.782 65.051 63.200 0.116 0.000 1.076 99 S HN 0.696 nan 8.310 nan 0.000 0.534 100 A N 0.311 123.147 122.820 0.025 0.000 2.019 100 A HA -0.066 4.254 4.320 0.000 0.000 0.219 100 A C 1.997 179.588 177.584 0.010 0.000 1.164 100 A CA 1.703 53.754 52.037 0.024 0.000 0.644 100 A CB -0.967 18.059 19.000 0.044 0.000 0.805 100 A HN 0.966 nan 8.150 nan 0.000 0.449 101 E N -0.464 119.736 120.200 0.001 0.000 2.158 101 E HA -0.146 4.204 4.350 0.000 0.000 0.191 101 E C 0.981 177.558 176.600 -0.037 0.000 0.982 101 E CA 0.774 57.171 56.400 -0.004 0.000 0.823 101 E CB -0.010 29.693 29.700 0.004 0.000 0.766 101 E HN 0.526 nan 8.360 nan 0.000 0.468 102 D N 0.710 121.047 120.400 -0.104 0.000 2.144 102 D HA -0.149 4.491 4.640 0.000 0.000 0.199 102 D C 2.084 178.277 176.300 -0.178 0.000 0.984 102 D CA 0.641 54.488 54.000 -0.255 0.000 0.834 102 D CB -0.069 40.398 40.800 -0.554 0.000 0.955 102 D HN 0.256 nan 8.370 nan 0.000 0.465 103 L N 0.574 121.734 121.223 -0.105 0.000 2.017 103 L HA -0.213 4.127 4.340 0.000 0.000 0.208 103 L C 2.247 179.181 176.870 0.107 0.000 1.073 103 L CA 1.351 56.175 54.840 -0.026 0.000 0.745 103 L CB -0.395 41.689 42.059 0.042 0.000 0.894 103 L HN -0.016 nan 8.230 nan 0.000 0.432 104 D N -0.133 120.312 120.400 0.074 0.000 2.127 104 D HA -0.269 4.371 4.640 0.000 0.000 0.190 104 D C 2.115 178.459 176.300 0.073 0.000 1.000 104 D CA 1.839 55.883 54.000 0.073 0.000 0.839 104 D CB 0.059 40.881 40.800 0.036 0.000 0.955 104 D HN 0.305 nan 8.370 nan 0.000 0.446 105 A N -0.207 122.639 122.820 0.042 0.000 1.940 105 A HA -0.186 4.134 4.320 0.000 0.000 0.219 105 A C 2.354 179.980 177.584 0.069 0.000 1.176 105 A CA 1.670 53.735 52.037 0.047 0.000 0.631 105 A CB -0.633 18.390 19.000 0.038 0.000 0.814 105 A HN 0.370 nan 8.150 nan 0.000 0.446 106 M N -0.867 118.776 119.600 0.071 0.000 2.175 106 M HA -0.123 4.357 4.480 0.000 0.000 0.264 106 M C 2.577 179.011 176.300 0.223 0.000 1.063 106 M CA 1.264 56.622 55.300 0.097 0.000 1.119 106 M CB -0.443 32.146 32.600 -0.020 0.000 1.377 106 M HN 0.511 nan 8.290 nan 0.000 0.415 107 A N 0.635 123.654 122.820 0.332 0.000 1.865 107 A HA -0.117 4.203 4.320 0.000 0.000 0.217 107 A C 2.365 180.013 177.584 0.107 0.000 1.191 107 A CA 2.060 54.251 52.037 0.256 0.000 0.623 107 A CB -1.091 17.984 19.000 0.125 0.000 0.826 107 A HN 0.498 nan 8.150 nan 0.000 0.444 108 A N -0.444 122.424 122.820 0.080 0.000 1.986 108 A HA -0.243 4.077 4.320 0.000 0.000 0.220 108 A C 1.908 179.521 177.584 0.048 0.000 1.171 108 A CA 1.990 54.054 52.037 0.046 0.000 0.640 108 A CB -0.558 18.465 19.000 0.038 0.000 0.811 108 A HN 0.686 nan 8.150 nan 0.000 0.451 109 E N -0.583 119.656 120.200 0.066 0.000 2.047 109 E HA -0.100 4.250 4.350 0.000 0.000 0.191 109 E C 1.995 178.631 176.600 0.060 0.000 0.987 109 E CA 1.212 57.647 56.400 0.059 0.000 0.799 109 E CB -0.236 29.502 29.700 0.064 0.000 0.752 109 E HN 0.404 nan 8.360 nan 0.000 0.449 110 V N 1.528 121.495 119.914 0.087 0.000 2.324 110 V HA -0.328 3.792 4.120 0.000 0.000 0.250 110 V C 2.304 178.420 176.094 0.038 0.000 1.060 110 V CA 1.904 64.251 62.300 0.079 0.000 1.042 110 V CB -0.905 30.989 31.823 0.117 0.000 0.650 110 V HN 0.331 nan 8.190 nan 0.000 0.450 111 A N 0.269 123.104 122.820 0.024 0.000 1.858 111 A HA -0.114 4.206 4.320 0.000 0.000 0.216 111 A C 2.469 180.059 177.584 0.011 0.000 1.190 111 A CA 2.203 54.244 52.037 0.007 0.000 0.617 111 A CB -1.002 17.997 19.000 -0.000 0.000 0.827 111 A HN 0.605 nan 8.150 nan 0.000 0.443 112 A N 0.160 122.990 122.820 0.017 0.000 1.978 112 A HA -0.071 4.249 4.320 0.000 0.000 0.220 112 A C 2.091 179.683 177.584 0.013 0.000 1.170 112 A CA 2.053 54.098 52.037 0.015 0.000 0.636 112 A CB -0.831 18.180 19.000 0.019 0.000 0.810 112 A HN 0.913 nan 8.150 nan 0.000 0.448 113 S N -1.885 113.826 115.700 0.018 0.000 2.679 113 S HA 0.447 4.917 4.470 0.000 0.000 0.233 113 S C 1.157 175.763 174.600 0.010 0.000 0.951 113 S CA 0.659 58.868 58.200 0.015 0.000 0.973 113 S CB -0.087 63.126 63.200 0.021 0.000 0.778 113 S HN 1.743 nan 8.310 nan 0.000 0.477 114 G N 0.288 109.092 108.800 0.007 0.000 2.201 114 G HA2 -0.226 3.734 3.960 0.000 0.000 0.212 114 G HA3 -0.226 3.734 3.960 0.000 0.000 0.212 114 G C -0.037 174.862 174.900 -0.001 0.000 0.994 114 G CA -0.281 44.820 45.100 0.002 0.000 0.644 114 G HN 0.546 nan 8.290 nan 0.000 0.508 115 V N 2.208 122.123 119.914 0.002 0.000 2.427 115 V HA 0.417 4.537 4.120 0.000 0.000 0.268 115 V C 1.558 177.645 176.094 -0.012 0.000 1.046 115 V CA 0.114 62.413 62.300 -0.003 0.000 0.970 115 V CB 1.362 33.188 31.823 0.005 0.000 1.001 115 V HN 0.323 nan 8.190 nan 0.000 0.476 116 R N 2.300 122.791 120.500 -0.015 0.000 2.254 116 R HA 0.182 4.522 4.340 0.000 0.000 0.193 116 R C -0.040 176.243 176.300 -0.029 0.000 0.929 116 R CA 0.533 56.620 56.100 -0.021 0.000 1.038 116 R CB 0.789 31.079 30.300 -0.017 0.000 1.009 116 R HN 0.751 nan 8.270 nan 0.000 0.512 117 T N -0.035 114.504 114.554 -0.025 0.000 2.993 117 T HA 0.285 4.635 4.350 0.000 0.000 0.312 117 T C -1.061 173.624 174.700 -0.025 0.000 1.115 117 T CA -0.444 61.639 62.100 -0.029 0.000 1.027 117 T CB 2.912 71.766 68.868 -0.022 0.000 1.116 117 T HN -0.271 nan 8.240 nan 0.000 0.464 118 V N 3.723 123.615 119.914 -0.036 0.000 2.259 118 V HA 0.305 4.425 4.120 0.000 0.000 0.267 118 V C 1.520 177.596 176.094 -0.030 0.000 1.051 118 V CA -0.497 61.786 62.300 -0.029 0.000 0.830 118 V CB 0.473 32.264 31.823 -0.052 0.000 1.080 118 V HN 0.844 nan 8.190 nan 0.000 0.467 119 R N 2.960 123.453 120.500 -0.013 0.000 2.316 119 R HA 0.140 4.481 4.340 0.000 0.000 0.202 119 R C 0.940 177.236 176.300 -0.007 0.000 1.029 119 R CA 1.163 57.257 56.100 -0.010 0.000 1.018 119 R CB 0.227 30.526 30.300 -0.003 0.000 0.888 119 R HN 0.686 nan 8.270 nan 0.000 0.471 120 G N -0.507 108.288 108.800 -0.008 0.000 3.286 120 G HA2 0.214 4.174 3.960 0.000 0.000 0.166 120 G HA3 0.214 4.174 3.960 0.000 0.000 0.166 120 G C -1.204 173.648 174.900 -0.080 0.000 1.155 120 G CA -0.578 44.513 45.100 -0.014 0.000 0.871 120 G HN 0.168 nan 8.290 nan 0.000 0.637 121 D N -0.064 120.249 120.400 -0.146 0.000 2.217 121 D HA 0.449 5.089 4.640 0.000 0.000 0.248 121 D C -0.874 175.120 176.300 -0.510 0.000 1.008 121 D CA -0.233 53.557 54.000 -0.350 0.000 0.914 121 D CB 2.711 43.215 40.800 -0.492 0.000 1.182 121 D HN 0.180 nan 8.370 nan 0.000 0.451 122 L N 2.099 123.017 121.223 -0.509 0.000 2.287 122 L HA 0.335 4.675 4.340 0.000 0.000 0.287 122 L C -1.532 174.990 176.870 -0.580 0.000 1.022 122 L CA -0.377 54.204 54.840 -0.431 0.000 0.814 122 L CB 0.464 42.410 42.059 -0.187 0.000 1.217 122 L HN 0.223 nan 8.230 nan 0.000 0.420 123 Y N 3.624 123.712 120.300 -0.353 0.000 2.361 123 Y HA 0.692 5.242 4.550 0.000 0.000 0.332 123 Y C 0.496 176.331 175.900 -0.108 0.000 1.101 123 Y CA -0.818 57.104 58.100 -0.297 0.000 1.137 123 Y CB 1.694 39.823 38.460 -0.553 0.000 1.207 123 Y HN 0.722 nan 8.280 nan 0.000 0.463 124 A N 2.499 125.406 122.820 0.145 0.000 2.316 124 A HA 0.210 4.530 4.320 0.000 0.000 0.311 124 A C -0.739 176.929 177.584 0.140 0.000 1.339 124 A CA -0.519 51.590 52.037 0.121 0.000 0.960 124 A CB -0.194 18.858 19.000 0.087 0.000 1.152 124 A HN 0.679 nan 8.150 nan 0.000 0.547 125 D N 2.935 123.428 120.400 0.156 0.000 2.396 125 D HA 0.186 4.827 4.640 0.000 0.000 0.225 125 D C -0.406 175.931 176.300 0.062 0.000 1.121 125 D CA -0.182 53.901 54.000 0.139 0.000 0.853 125 D CB 1.078 41.989 40.800 0.185 0.000 1.043 125 D HN 0.559 nan 8.370 nan 0.000 0.500 126 D N 1.518 121.951 120.400 0.054 0.000 2.538 126 D HA -0.073 4.568 4.640 0.000 0.000 0.231 126 D C 1.055 177.393 176.300 0.064 0.000 1.229 126 D CA -0.181 53.838 54.000 0.032 0.000 0.828 126 D CB -0.285 40.532 40.800 0.028 0.000 1.035 126 D HN 0.276 nan 8.370 nan 0.000 0.495 127 T N -3.740 110.858 114.554 0.075 0.000 3.227 127 T HA -0.103 4.247 4.350 0.000 0.000 0.257 127 T C 1.273 176.054 174.700 0.135 0.000 1.162 127 T CA -0.234 61.914 62.100 0.081 0.000 1.051 127 T CB -0.941 67.952 68.868 0.042 0.000 0.953 127 T HN 0.407 nan 8.240 nan 0.000 0.535 128 W N 0.924 122.179 121.300 -0.076 0.000 2.436 128 W HA 0.166 4.826 4.660 0.000 0.000 0.284 128 W C -0.849 175.727 176.519 0.096 0.000 1.225 128 W CA -0.057 57.241 57.345 -0.079 0.000 1.271 128 W CB 0.118 29.436 29.460 -0.237 0.000 1.114 128 W HN 0.132 nan 8.180 nan 0.000 0.559 129 F N 2.063 122.031 119.950 0.031 0.000 2.483 129 F HA 0.189 4.716 4.527 0.000 0.000 0.329 129 F C 0.875 176.609 175.800 -0.109 0.000 1.064 129 F CA -2.186 55.740 58.000 -0.123 0.000 0.986 129 F CB -0.026 38.915 39.000 -0.100 0.000 1.218 129 F HN -0.195 nan 8.300 nan 0.000 0.484 130 D N -0.628 119.790 120.400 0.031 0.000 2.312 130 D HA 0.029 4.669 4.640 0.000 0.000 0.244 130 D C 0.543 176.845 176.300 0.003 0.000 1.328 130 D CA 0.034 54.024 54.000 -0.017 0.000 0.965 130 D CB 0.144 40.901 40.800 -0.072 0.000 1.140 130 D HN 0.349 nan 8.370 nan 0.000 0.523 131 S N -2.787 112.915 115.700 0.003 0.000 2.663 131 S HA 0.069 4.539 4.470 0.000 0.000 0.243 131 S C 0.366 174.983 174.600 0.028 0.000 1.009 131 S CA -0.602 57.612 58.200 0.023 0.000 0.988 131 S CB -0.582 62.641 63.200 0.038 0.000 0.896 131 S HN 0.589 nan 8.310 nan 0.000 0.502 132 E N 2.026 122.236 120.200 0.017 0.000 2.238 132 E HA 0.084 4.434 4.350 0.000 0.000 0.264 132 E C 0.832 177.522 176.600 0.151 0.000 1.136 132 E CA -0.353 56.112 56.400 0.107 0.000 0.929 132 E CB 0.349 30.164 29.700 0.192 0.000 1.010 132 E HN 0.185 nan 8.360 nan 0.000 0.440 133 R N 3.395 123.990 120.500 0.159 0.000 2.276 133 R HA 0.215 4.556 4.340 0.000 0.000 0.196 133 R C 0.016 176.481 176.300 0.274 0.000 0.961 133 R CA 0.386 56.593 56.100 0.178 0.000 1.024 133 R CB -0.119 30.262 30.300 0.135 0.000 0.940 133 R HN 0.494 nan 8.270 nan 0.000 0.480 134 L N -0.654 120.691 121.223 0.203 0.000 2.506 134 L HA 0.339 4.679 4.340 0.000 0.000 0.257 134 L C -0.611 175.871 176.870 -0.647 0.000 0.964 134 L CA -1.001 53.766 54.840 -0.121 0.000 0.836 134 L CB 2.653 44.764 42.059 0.086 0.000 1.384 134 L HN -0.383 nan 8.230 nan 0.000 0.410 135 V N 1.669 120.619 119.914 -1.606 0.000 2.521 135 V HA -0.033 4.087 4.120 0.000 0.000 0.286 135 V C 0.622 176.290 176.094 -0.710 0.000 1.034 135 V CA 0.343 61.696 62.300 -1.579 0.000 1.045 135 V CB 0.840 31.342 31.823 -2.201 0.000 0.974 135 V HN 1.033 nan 8.190 nan 0.000 0.480 136 D N 4.589 124.715 120.400 -0.457 0.000 3.691 136 D HA -0.345 4.295 4.640 0.000 0.000 0.228 136 D C 0.924 177.174 176.300 -0.083 0.000 1.236 136 D CA 2.282 56.158 54.000 -0.206 0.000 0.888 136 D CB -0.378 40.322 40.800 -0.167 0.000 0.969 136 D HN 0.796 nan 8.370 nan 0.000 0.560 137 D N -2.058 118.317 120.400 -0.042 0.000 2.491 137 D HA 0.059 4.699 4.640 0.000 0.000 0.228 137 D C -0.616 175.923 176.300 0.398 0.000 1.183 137 D CA -0.843 53.250 54.000 0.154 0.000 0.827 137 D CB -0.724 40.156 40.800 0.133 0.000 0.989 137 D HN 0.289 nan 8.370 nan 0.000 0.494 138 W N 0.666 122.019 121.300 0.088 0.000 2.184 138 W HA 0.314 4.974 4.660 0.000 0.000 0.338 138 W C 0.210 176.931 176.519 0.337 0.000 1.257 138 W CA -1.131 56.298 57.345 0.139 0.000 1.243 138 W CB 0.195 29.684 29.460 0.048 0.000 1.122 138 W HN -0.025 nan 8.180 nan 0.000 0.585 139 W N 4.233 125.653 121.300 0.200 0.000 2.345 139 W HA 0.207 4.867 4.660 0.000 0.000 0.308 139 W C -1.113 175.474 176.519 0.114 0.000 1.273 139 W CA -2.483 54.937 57.345 0.125 0.000 1.243 139 W CB -0.452 29.063 29.460 0.092 0.000 1.260 139 W HN 0.221 nan 8.180 nan 0.000 0.509 140 P HA -0.303 nan 4.420 nan 0.000 0.217 140 P C 1.522 178.910 177.300 0.146 0.000 1.162 140 P CA 2.572 65.763 63.100 0.153 0.000 0.901 140 P CB 0.184 31.928 31.700 0.073 0.000 0.793 141 E N -0.769 119.537 120.200 0.178 0.000 2.401 141 E HA -0.194 4.156 4.350 0.000 0.000 0.199 141 E C 0.855 177.601 176.600 0.243 0.000 1.023 141 E CA 1.150 57.659 56.400 0.182 0.000 0.859 141 E CB -0.932 28.886 29.700 0.196 0.000 0.780 141 E HN 0.313 nan 8.360 nan 0.000 0.523 142 D N 1.582 122.138 120.400 0.259 0.000 2.249 142 D HA -0.047 4.593 4.640 0.000 0.000 0.205 142 D C 1.607 177.887 176.300 -0.033 0.000 0.962 142 D CA 0.424 54.569 54.000 0.241 0.000 0.860 142 D CB -0.035 40.876 40.800 0.185 0.000 0.955 142 D HN 0.380 nan 8.370 nan 0.000 0.505 143 E N 0.960 121.131 120.200 -0.049 0.000 2.114 143 E HA -0.185 4.166 4.350 0.000 0.000 0.199 143 E C -0.745 175.694 176.600 -0.269 0.000 1.008 143 E CA 1.212 57.547 56.400 -0.108 0.000 0.810 143 E CB -0.928 28.765 29.700 -0.011 0.000 0.739 143 E HN 0.368 nan 8.360 nan 0.000 0.456 144 P HA -0.163 nan 4.420 nan 0.000 0.222 144 P C -0.010 176.914 177.300 -0.626 0.000 1.147 144 P CA 1.230 63.980 63.100 -0.584 0.000 0.790 144 P CB -0.091 31.151 31.700 -0.762 0.000 0.780 145 Y N -0.815 119.357 120.300 -0.213 0.000 2.334 145 Y HA 0.426 4.976 4.550 0.000 0.000 0.325 145 Y C 2.250 177.960 175.900 -0.316 0.000 1.308 145 Y CA -0.729 57.217 58.100 -0.256 0.000 1.389 145 Y CB -0.022 38.282 38.460 -0.260 0.000 1.328 145 Y HN -0.207 nan 8.280 nan 0.000 0.532 146 A N 1.052 123.874 122.820 0.004 0.000 1.877 146 A HA -0.228 4.092 4.320 0.000 0.000 0.216 146 A C 1.835 179.393 177.584 -0.044 0.000 1.186 146 A CA 1.878 53.914 52.037 -0.002 0.000 0.620 146 A CB -1.477 17.562 19.000 0.066 0.000 0.822 146 A HN 0.941 nan 8.150 nan 0.000 0.443 147 Y N -1.593 118.711 120.300 0.006 0.000 2.569 147 Y HA 0.105 4.655 4.550 0.000 0.000 0.293 147 Y C 1.913 177.728 175.900 -0.142 0.000 1.144 147 Y CA 0.992 59.051 58.100 -0.067 0.000 1.321 147 Y CB -0.624 37.775 38.460 -0.102 0.000 0.982 147 Y HN 0.173 nan 8.280 nan 0.000 0.558 148 S N 0.496 115.865 115.700 -0.552 0.000 2.582 148 S HA 0.521 4.991 4.470 0.000 0.000 0.234 148 S C 0.903 175.471 174.600 -0.053 0.000 0.961 148 S CA -0.144 57.827 58.200 -0.382 0.000 0.953 148 S CB -1.071 61.874 63.200 -0.425 0.000 0.800 148 S HN 0.623 nan 8.310 nan 0.000 0.471 149 A N 1.346 124.159 122.820 -0.012 0.000 2.587 149 A HA 0.146 4.466 4.320 0.000 0.000 0.233 149 A C 0.439 178.145 177.584 0.203 0.000 1.049 149 A CA 0.240 52.323 52.037 0.078 0.000 0.754 149 A CB -0.045 19.003 19.000 0.079 0.000 0.977 149 A HN 0.686 nan 8.150 nan 0.000 0.509 150 Q N -0.053 119.849 119.800 0.170 0.000 2.474 150 Q HA 0.250 4.590 4.340 0.000 0.000 0.256 150 Q C -0.519 175.611 176.000 0.216 0.000 1.048 150 Q CA 0.214 56.142 55.803 0.208 0.000 0.922 150 Q CB 0.343 29.168 28.738 0.145 0.000 1.288 150 Q HN 0.605 nan 8.270 nan 0.000 0.484 151 I N 1.801 122.504 120.570 0.220 0.000 2.378 151 I HA 0.336 4.506 4.170 0.000 0.000 0.291 151 I C -0.388 175.796 176.117 0.113 0.000 0.992 151 I CA 0.081 61.479 61.300 0.163 0.000 1.154 151 I CB 0.981 39.051 38.000 0.117 0.000 1.315 151 I HN 0.460 nan 8.210 nan 0.000 0.448 152 S N 3.767 119.559 115.700 0.153 0.000 2.533 152 S HA 0.649 5.119 4.470 0.000 0.000 0.271 152 S C 0.666 175.353 174.600 0.146 0.000 1.143 152 S CA 0.077 58.368 58.200 0.151 0.000 0.891 152 S CB 1.775 65.028 63.200 0.090 0.000 1.105 152 S HN 0.699 nan 8.310 nan 0.000 0.468 153 A N 3.661 126.515 122.820 0.056 0.000 1.908 153 A HA 0.166 4.487 4.320 0.000 0.000 0.218 153 A C 0.898 178.377 177.584 -0.176 0.000 1.181 153 A CA 0.978 52.840 52.037 -0.291 0.000 0.627 153 A CB -0.448 18.336 19.000 -0.360 0.000 0.818 153 A HN 0.755 nan 8.150 nan 0.000 0.445 154 L N 0.450 121.627 121.223 -0.077 0.000 2.272 154 L HA 0.513 4.853 4.340 0.000 0.000 0.289 154 L C -0.510 176.339 176.870 -0.035 0.000 1.032 154 L CA -0.116 54.682 54.840 -0.070 0.000 0.810 154 L CB 1.554 43.585 42.059 -0.048 0.000 1.205 154 L HN 0.273 nan 8.230 nan 0.000 0.422 155 T N 3.316 117.846 114.554 -0.040 0.000 3.159 155 T HA 0.379 4.729 4.350 0.000 0.000 0.343 155 T C -1.342 173.354 174.700 -0.006 0.000 1.364 155 T CA -0.358 61.737 62.100 -0.008 0.000 1.102 155 T CB 1.431 70.315 68.868 0.027 0.000 1.263 155 T HN 0.162 nan 8.240 nan 0.000 0.477 156 V N 3.879 123.799 119.914 0.011 0.000 2.481 156 V HA 0.832 4.952 4.120 0.000 0.000 0.286 156 V C 0.605 176.752 176.094 0.088 0.000 1.042 156 V CA -0.453 61.865 62.300 0.030 0.000 0.928 156 V CB 1.348 33.183 31.823 0.020 0.000 0.986 156 V HN 1.142 nan 8.190 nan 0.000 0.462 157 A N 3.415 126.316 122.820 0.134 0.000 2.304 157 A HA 0.652 4.972 4.320 0.000 0.000 0.323 157 A C -0.710 177.009 177.584 0.225 0.000 1.195 157 A CA -0.484 51.690 52.037 0.227 0.000 0.826 157 A CB 0.403 19.614 19.000 0.353 0.000 1.184 157 A HN 1.039 nan 8.150 nan 0.000 0.496 158 H N 1.768 120.898 119.070 0.100 0.000 2.489 158 H HA 0.543 5.100 4.556 0.000 0.000 0.322 158 H C 0.719 176.032 175.328 -0.024 0.000 1.091 158 H CA 0.969 57.038 56.048 0.035 0.000 1.291 158 H CB 0.945 30.718 29.762 0.018 0.000 1.436 158 H HN 1.633 nan 8.280 nan 0.000 0.480 159 G N 3.616 111.954 108.800 -0.769 0.000 2.915 159 G HA2 -0.317 3.643 3.960 0.000 0.000 0.337 159 G HA3 -0.317 3.643 3.960 0.000 0.000 0.337 159 G C 0.954 175.526 174.900 -0.546 0.000 1.477 159 G CA 0.222 44.915 45.100 -0.679 0.000 0.916 159 G HN 0.959 nan 8.290 nan 0.000 0.550 160 E N -0.158 119.772 120.200 -0.450 0.000 2.209 160 E HA -0.156 4.194 4.350 0.000 0.000 0.196 160 E C 2.101 178.415 176.600 -0.477 0.000 0.993 160 E CA 1.290 57.391 56.400 -0.499 0.000 0.819 160 E CB -0.056 29.527 29.700 -0.195 0.000 0.745 160 E HN 0.598 nan 8.360 nan 0.000 0.477 161 R N -0.285 120.050 120.500 -0.276 0.000 2.313 161 R HA 0.085 4.425 4.340 0.000 0.000 0.199 161 R C -0.221 176.102 176.300 0.038 0.000 0.958 161 R CA 0.242 56.234 56.100 -0.180 0.000 1.047 161 R CB -0.422 29.579 30.300 -0.498 0.000 0.955 161 R HN 0.177 nan 8.270 nan 0.000 0.481 162 F N 1.348 121.358 119.950 0.101 0.000 2.866 162 F HA -0.268 4.259 4.527 0.000 0.000 0.254 162 F C -0.397 175.491 175.800 0.147 0.000 1.009 162 F CA 0.274 58.374 58.000 0.167 0.000 0.907 162 F CB -1.203 37.968 39.000 0.284 0.000 0.859 162 F HN 0.112 nan 8.300 nan 0.000 0.842 163 D N 1.293 121.803 120.400 0.183 0.000 2.317 163 D HA 0.201 4.841 4.640 0.000 0.000 0.252 163 D C 0.738 177.129 176.300 0.153 0.000 1.174 163 D CA 0.318 54.381 54.000 0.105 0.000 0.866 163 D CB 1.275 42.122 40.800 0.078 0.000 1.127 163 D HN 0.299 nan 8.370 nan 0.000 0.467 164 T N -1.677 112.952 114.554 0.125 0.000 2.918 164 T HA 0.494 4.844 4.350 0.000 0.000 0.283 164 T C 1.210 175.965 174.700 0.091 0.000 1.001 164 T CA -0.212 61.965 62.100 0.128 0.000 1.041 164 T CB 1.741 70.691 68.868 0.137 0.000 1.028 164 T HN 0.520 nan 8.240 nan 0.000 0.511 165 G N 0.034 108.880 108.800 0.077 0.000 2.179 165 G HA2 -0.159 3.801 3.960 0.000 0.000 0.257 165 G HA3 -0.159 3.801 3.960 0.000 0.000 0.257 165 G C 0.128 175.051 174.900 0.038 0.000 1.010 165 G CA 0.395 45.529 45.100 0.058 0.000 0.736 165 G HN 1.674 nan 8.290 nan 0.000 0.513 166 V N -4.215 115.718 119.914 0.033 0.000 3.182 166 V HA 1.017 5.138 4.120 0.000 0.000 0.311 166 V C 0.180 176.258 176.094 -0.027 0.000 1.221 166 V CA -0.131 62.167 62.300 -0.003 0.000 1.060 166 V CB 1.803 33.615 31.823 -0.018 0.000 1.164 166 V HN 0.774 nan 8.190 nan 0.000 0.466 167 T N -0.263 114.246 114.554 -0.074 0.000 2.900 167 T HA 0.412 4.762 4.350 0.000 0.000 0.303 167 T C -1.290 173.292 174.700 -0.197 0.000 1.142 167 T CA -0.385 61.648 62.100 -0.111 0.000 1.007 167 T CB 1.836 70.682 68.868 -0.037 0.000 1.156 167 T HN 1.090 nan 8.240 nan 0.000 0.490 168 E N 2.348 122.379 120.200 -0.282 0.000 2.167 168 E HA 0.527 4.877 4.350 0.000 0.000 0.284 168 E C -1.035 175.505 176.600 -0.100 0.000 1.016 168 E CA -0.565 55.689 56.400 -0.244 0.000 0.817 168 E CB 0.812 30.326 29.700 -0.309 0.000 1.080 168 E HN 0.348 nan 8.360 nan 0.000 0.397 169 V N 4.235 124.111 119.914 -0.063 0.000 2.350 169 V HA 0.177 4.297 4.120 0.000 0.000 0.276 169 V C 0.005 176.091 176.094 -0.015 0.000 1.028 169 V CA -0.436 61.847 62.300 -0.028 0.000 0.860 169 V CB 1.439 33.251 31.823 -0.018 0.000 0.990 169 V HN 0.624 nan 8.190 nan 0.000 0.453 170 S N 4.133 119.829 115.700 -0.007 0.000 2.457 170 S HA 0.634 5.104 4.470 0.000 0.000 0.289 170 S C -0.433 174.169 174.600 0.004 0.000 1.163 170 S CA -0.402 57.799 58.200 0.001 0.000 1.078 170 S CB 1.129 64.332 63.200 0.006 0.000 0.987 170 S HN 0.488 nan 8.310 nan 0.000 0.482 171 V N 4.833 124.750 119.914 0.006 0.000 2.483 171 V HA 0.512 4.632 4.120 0.000 0.000 0.297 171 V C -0.434 175.664 176.094 0.007 0.000 1.027 171 V CA -0.661 61.643 62.300 0.007 0.000 0.855 171 V CB 1.911 33.738 31.823 0.008 0.000 0.995 171 V HN 0.897 nan 8.190 nan 0.000 0.424 172 T N 6.690 121.249 114.554 0.007 0.000 2.841 172 T HA 0.503 4.853 4.350 0.000 0.000 0.285 172 T C -2.810 171.894 174.700 0.006 0.000 0.991 172 T CA -1.328 60.776 62.100 0.007 0.000 0.966 172 T CB 2.214 71.086 68.868 0.007 0.000 0.962 172 T HN 0.455 nan 8.240 nan 0.000 0.438 173 P HA 0.459 nan 4.420 nan 0.000 0.274 173 P C -0.196 177.106 177.300 0.005 0.000 1.231 173 P CA -0.353 62.750 63.100 0.005 0.000 0.790 173 P CB 0.999 32.702 31.700 0.005 0.000 0.951 174 A N 2.605 125.428 122.820 0.004 0.000 3.748 174 A HA 0.732 5.052 4.320 0.000 0.000 0.180 174 A C 0.419 178.005 177.584 0.003 0.000 1.758 174 A CA 0.276 52.315 52.037 0.004 0.000 1.736 174 A CB -0.655 18.347 19.000 0.003 0.000 1.559 174 A HN 0.638 nan 8.150 nan 0.000 0.575 175 A N -1.044 121.778 122.820 0.003 0.000 2.346 175 A HA 0.585 4.905 4.320 0.000 0.000 0.313 175 A C -0.109 177.476 177.584 0.003 0.000 1.140 175 A CA -0.310 51.729 52.037 0.003 0.000 0.826 175 A CB 0.297 19.299 19.000 0.003 0.000 1.332 175 A HN 0.720 nan 8.150 nan 0.000 0.457 176 E N -0.252 119.950 120.200 0.003 0.000 2.652 176 E HA 0.260 4.610 4.350 0.000 0.000 0.255 176 E C 1.196 177.797 176.600 0.002 0.000 0.952 176 E CA 1.319 57.720 56.400 0.003 0.000 0.947 176 E CB -0.119 29.583 29.700 0.002 0.000 0.912 176 E HN 1.611 nan 8.360 nan 0.000 0.489 177 G N 4.042 112.844 108.800 0.002 0.000 2.420 177 G HA2 -0.309 3.651 3.960 0.000 0.000 0.221 177 G HA3 -0.309 3.651 3.960 0.000 0.000 0.221 177 G C -0.201 174.700 174.900 0.002 0.000 1.117 177 G CA 0.225 45.326 45.100 0.002 0.000 0.657 177 G HN 0.656 nan 8.290 nan 0.000 0.512 178 E N 3.435 123.636 120.200 0.002 0.000 2.392 178 E HA 0.388 4.738 4.350 0.000 0.000 0.264 178 E C -2.064 174.537 176.600 0.002 0.000 1.024 178 E CA -1.309 55.093 56.400 0.002 0.000 0.903 178 E CB 0.930 30.632 29.700 0.002 0.000 0.963 178 E HN 0.376 nan 8.360 nan 0.000 0.432 179 P HA 0.022 nan 4.420 nan 0.000 0.274 179 P C -1.026 176.276 177.300 0.003 0.000 1.260 179 P CA -0.227 62.874 63.100 0.002 0.000 0.793 179 P CB 0.554 32.255 31.700 0.002 0.000 1.048 180 A N -0.037 122.785 122.820 0.003 0.000 2.325 180 A HA 0.405 4.725 4.320 0.000 0.000 0.333 180 A C -0.476 177.110 177.584 0.004 0.000 1.155 180 A CA -0.478 51.562 52.037 0.004 0.000 0.814 180 A CB 0.132 19.135 19.000 0.005 0.000 1.206 180 A HN 0.536 nan 8.150 nan 0.000 0.482 181 D N 0.790 121.193 120.400 0.004 0.000 2.312 181 D HA 0.432 5.072 4.640 0.000 0.000 0.252 181 D C -0.843 175.460 176.300 0.005 0.000 1.150 181 D CA 0.221 54.224 54.000 0.004 0.000 0.870 181 D CB 0.907 41.711 40.800 0.005 0.000 1.153 181 D HN 0.176 nan 8.370 nan 0.000 0.457 182 V N 4.329 124.245 119.914 0.004 0.000 2.487 182 V HA 0.318 4.438 4.120 0.000 0.000 0.298 182 V C -0.630 175.466 176.094 0.004 0.000 1.028 182 V CA -0.853 61.449 62.300 0.003 0.000 0.860 182 V CB 1.804 33.627 31.823 0.001 0.000 0.991 182 V HN 0.600 nan 8.190 nan 0.000 0.427 183 D N 3.991 124.394 120.400 0.004 0.000 2.192 183 D HA 0.446 5.086 4.640 0.000 0.000 0.246 183 D C 0.696 176.998 176.300 0.003 0.000 1.042 183 D CA -0.387 53.617 54.000 0.007 0.000 0.847 183 D CB 2.368 43.174 40.800 0.010 0.000 1.186 183 D HN 0.315 nan 8.370 nan 0.000 0.461 184 L N 1.298 122.525 121.223 0.006 0.000 2.592 184 L HA 0.216 4.556 4.340 0.000 0.000 0.227 184 L C 1.591 178.465 176.870 0.006 0.000 1.127 184 L CA 0.010 54.852 54.840 0.004 0.000 0.884 184 L CB -0.699 41.365 42.059 0.008 0.000 1.065 184 L HN 0.627 nan 8.230 nan 0.000 0.457 185 G N 1.273 110.081 108.800 0.013 0.000 2.596 185 G HA2 -0.454 3.506 3.960 0.000 0.000 0.295 185 G HA3 -0.454 3.506 3.960 0.000 0.000 0.295 185 G C 1.044 175.971 174.900 0.044 0.000 1.240 185 G CA 0.607 45.719 45.100 0.020 0.000 0.985 185 G HN 0.319 nan 8.290 nan 0.000 0.555 186 A N -0.564 122.283 122.820 0.045 0.000 2.042 186 A HA 0.202 4.522 4.320 0.000 0.000 0.222 186 A C 2.789 180.427 177.584 0.090 0.000 1.167 186 A CA 3.294 55.375 52.037 0.072 0.000 0.649 186 A CB -0.810 18.228 19.000 0.064 0.000 0.809 186 A HN 2.308 nan 8.150 nan 0.000 0.457 187 A N -0.721 122.137 122.820 0.063 0.000 2.238 187 A HA 0.167 4.487 4.320 0.000 0.000 0.208 187 A C 0.642 178.268 177.584 0.070 0.000 1.177 187 A CA -0.144 51.945 52.037 0.086 0.000 0.804 187 A CB -0.149 18.910 19.000 0.098 0.000 0.823 187 A HN 0.413 nan 8.150 nan 0.000 0.482 188 E N -0.130 120.116 120.200 0.076 0.000 2.417 188 E HA 0.243 4.593 4.350 0.000 0.000 0.261 188 E C 1.204 177.841 176.600 0.061 0.000 1.000 188 E CA 1.090 57.529 56.400 0.065 0.000 0.919 188 E CB 0.391 30.138 29.700 0.079 0.000 0.955 188 E HN 0.658 nan 8.360 nan 0.000 0.455 189 G N 3.318 112.115 108.800 -0.005 0.000 2.155 189 G HA2 -0.357 3.603 3.960 0.000 0.000 0.257 189 G HA3 -0.357 3.603 3.960 0.000 0.000 0.257 189 G C 0.449 175.177 174.900 -0.286 0.000 0.983 189 G CA 0.947 46.026 45.100 -0.035 0.000 0.676 189 G HN 0.641 nan 8.290 nan 0.000 0.528 190 Y N 0.222 120.240 120.300 -0.471 0.000 2.569 190 Y HA 0.681 5.232 4.550 0.000 0.000 0.278 190 Y C 1.649 177.431 175.900 -0.197 0.000 1.130 190 Y CA 1.303 59.134 58.100 -0.450 0.000 1.280 190 Y CB 0.050 38.214 38.460 -0.494 0.000 1.379 190 Y HN 0.632 nan 8.280 nan 0.000 0.508 191 A N 1.467 124.181 122.820 -0.177 0.000 2.304 191 A HA 0.453 4.773 4.320 0.000 0.000 0.301 191 A C -0.446 177.061 177.584 -0.128 0.000 1.132 191 A CA -0.660 51.264 52.037 -0.189 0.000 0.819 191 A CB 0.271 19.249 19.000 -0.036 0.000 1.094 191 A HN 0.340 nan 8.150 nan 0.000 0.492 192 E N -0.101 120.024 120.200 -0.126 0.000 2.404 192 E HA 0.314 4.664 4.350 0.000 0.000 0.261 192 E C -0.881 175.687 176.600 -0.054 0.000 1.074 192 E CA -0.218 56.132 56.400 -0.083 0.000 0.917 192 E CB 1.169 30.822 29.700 -0.078 0.000 0.965 192 E HN 0.467 nan 8.360 nan 0.000 0.433 193 L N 1.955 123.155 121.223 -0.040 0.000 2.362 193 L HA 0.426 4.766 4.340 0.000 0.000 0.275 193 L C -1.168 175.688 176.870 -0.024 0.000 0.998 193 L CA -0.450 54.374 54.840 -0.027 0.000 0.820 193 L CB 1.861 43.908 42.059 -0.018 0.000 1.270 193 L HN 0.255 nan 8.230 nan 0.000 0.415 194 D N 3.069 123.457 120.400 -0.020 0.000 2.378 194 D HA 0.234 4.875 4.640 0.000 0.000 0.265 194 D C -1.194 175.099 176.300 -0.011 0.000 1.229 194 D CA -0.151 53.839 54.000 -0.016 0.000 0.914 194 D CB 0.458 41.247 40.800 -0.019 0.000 1.140 194 D HN 0.489 nan 8.370 nan 0.000 0.516 195 N N 2.752 121.447 118.700 -0.008 0.000 2.558 195 N HA 0.142 4.882 4.740 0.000 0.000 0.233 195 N C 0.093 175.601 175.510 -0.003 0.000 1.038 195 N CA -0.204 52.843 53.050 -0.004 0.000 0.934 195 N CB 0.456 38.941 38.487 -0.003 0.000 1.175 195 N HN 0.255 nan 8.380 nan 0.000 0.512 196 R N 1.362 121.861 120.500 -0.002 0.000 2.466 196 R HA 0.271 4.611 4.340 0.000 0.000 0.279 196 R C 0.130 176.431 176.300 0.002 0.000 0.976 196 R CA -0.323 55.777 56.100 -0.000 0.000 1.081 196 R CB 0.011 30.311 30.300 -0.000 0.000 1.215 196 R HN 0.404 nan 8.270 nan 0.000 0.546 197 A N 0.993 123.814 122.820 0.002 0.000 2.351 197 A HA 0.456 4.776 4.320 0.000 0.000 0.257 197 A C -0.203 177.384 177.584 0.004 0.000 1.087 197 A CA -0.274 51.766 52.037 0.004 0.000 0.798 197 A CB 1.159 20.162 19.000 0.005 0.000 1.033 197 A HN 0.072 nan 8.150 nan 0.000 0.488 198 V N 1.634 121.550 119.914 0.005 0.000 2.752 198 V HA 0.421 4.541 4.120 0.000 0.000 0.302 198 V C -0.064 176.032 176.094 0.004 0.000 1.133 198 V CA -0.385 61.917 62.300 0.004 0.000 0.919 198 V CB 2.054 33.879 31.823 0.003 0.000 1.026 198 V HN 1.025 nan 8.190 nan 0.000 0.429 199 T N 6.134 120.691 114.554 0.004 0.000 2.871 199 T HA 0.416 4.766 4.350 0.000 0.000 0.296 199 T C 0.520 175.223 174.700 0.004 0.000 0.998 199 T CA 0.893 62.995 62.100 0.004 0.000 1.162 199 T CB 0.616 69.486 68.868 0.004 0.000 0.947 199 T HN 1.098 nan 8.240 nan 0.000 0.536 200 G N 1.295 110.097 108.800 0.004 0.000 2.521 200 G HA2 0.644 4.604 3.960 0.000 0.000 0.323 200 G HA3 0.644 4.604 3.960 0.000 0.000 0.323 200 G C -0.075 174.827 174.900 0.003 0.000 1.211 200 G CA -0.830 44.272 45.100 0.004 0.000 0.979 200 G HN 0.988 nan 8.290 nan 0.000 0.490 201 A N -0.515 122.307 122.820 0.003 0.000 2.507 201 A HA 0.534 4.854 4.320 0.000 0.000 0.235 201 A C 1.160 178.746 177.584 0.003 0.000 1.070 201 A CA 0.495 52.533 52.037 0.003 0.000 0.768 201 A CB -0.313 18.689 19.000 0.002 0.000 1.011 201 A HN 2.008 nan 8.150 nan 0.000 0.502 202 A N 0.949 123.771 122.820 0.003 0.000 2.565 202 A HA 0.471 4.791 4.320 0.000 0.000 0.237 202 A C 1.510 179.096 177.584 0.003 0.000 1.053 202 A CA 0.660 52.699 52.037 0.003 0.000 0.755 202 A CB -0.886 18.115 19.000 0.003 0.000 0.980 202 A HN 2.798 nan 8.150 nan 0.000 0.506 203 G N 1.867 110.669 108.800 0.003 0.000 2.372 203 G HA2 0.020 3.980 3.960 0.000 0.000 0.297 203 G HA3 0.020 3.980 3.960 0.000 0.000 0.297 203 G C 0.367 175.268 174.900 0.003 0.000 1.005 203 G CA 0.967 46.069 45.100 0.003 0.000 1.173 203 G HN 2.170 nan 8.290 nan 0.000 0.511 204 S N -1.014 114.688 115.700 0.003 0.000 2.921 204 S HA 0.871 5.341 4.470 0.000 0.000 0.315 204 S C 0.585 175.187 174.600 0.003 0.000 1.087 204 S CA -0.031 58.171 58.200 0.003 0.000 0.877 204 S CB 1.364 64.566 63.200 0.003 0.000 1.340 204 S HN 1.908 nan 8.310 nan 0.000 0.622 205 A N 1.973 124.795 122.820 0.004 0.000 2.496 205 A HA 0.269 4.589 4.320 0.000 0.000 0.278 205 A C 0.288 177.875 177.584 0.005 0.000 1.137 205 A CA -0.144 51.895 52.037 0.004 0.000 0.805 205 A CB -1.315 17.688 19.000 0.004 0.000 1.077 205 A HN 0.619 nan 8.150 nan 0.000 0.513 206 N N 2.422 121.125 118.700 0.005 0.000 2.442 206 N HA 0.196 4.936 4.740 0.000 0.000 0.265 206 N C 0.515 176.030 175.510 0.008 0.000 1.138 206 N CA 0.864 53.918 53.050 0.006 0.000 0.956 206 N CB 0.642 39.132 38.487 0.006 0.000 1.067 206 N HN 0.642 nan 8.380 nan 0.000 0.474 207 T N 0.652 115.211 114.554 0.010 0.000 3.641 207 T HA 0.153 4.503 4.350 0.000 0.000 0.313 207 T C 0.216 174.925 174.700 0.015 0.000 0.952 207 T CA -0.530 61.577 62.100 0.012 0.000 1.004 207 T CB -0.446 68.428 68.868 0.010 0.000 1.209 207 T HN 0.191 nan 8.240 nan 0.000 0.493 208 L N 2.035 123.267 121.223 0.016 0.000 2.452 208 L HA 0.687 5.027 4.340 0.000 0.000 0.267 208 L C -0.529 176.358 176.870 0.027 0.000 1.188 208 L CA -0.067 54.785 54.840 0.019 0.000 0.821 208 L CB 1.129 43.198 42.059 0.017 0.000 1.102 208 L HN 0.221 nan 8.230 nan 0.000 0.470 209 V N 5.458 125.391 119.914 0.032 0.000 2.697 209 V HA 0.379 4.499 4.120 0.000 0.000 0.300 209 V C -0.632 175.489 176.094 0.045 0.000 1.115 209 V CA -0.462 61.866 62.300 0.047 0.000 0.912 209 V CB 1.905 33.755 31.823 0.046 0.000 1.024 209 V HN 0.548 nan 8.190 nan 0.000 0.431 210 I N 4.629 125.238 120.570 0.064 0.000 2.355 210 I HA 0.551 4.721 4.170 0.000 0.000 0.288 210 I C -0.675 175.467 176.117 0.042 0.000 0.999 210 I CA -0.067 61.260 61.300 0.045 0.000 1.163 210 I CB 1.589 39.614 38.000 0.042 0.000 1.316 210 I HN 0.512 nan 8.210 nan 0.000 0.454 211 D N 5.459 125.858 120.400 -0.001 0.000 2.523 211 D HA 0.446 5.086 4.640 0.000 0.000 0.236 211 D C -1.037 175.217 176.300 -0.078 0.000 1.094 211 D CA -0.768 53.205 54.000 -0.046 0.000 0.942 211 D CB 2.599 43.391 40.800 -0.014 0.000 1.447 211 D HN 0.394 nan 8.370 nan 0.000 0.479 212 R N 1.959 122.386 120.500 -0.121 0.000 2.472 212 R HA 0.417 4.757 4.340 0.000 0.000 0.294 212 R C -2.590 173.658 176.300 -0.087 0.000 1.243 212 R CA -1.534 54.508 56.100 -0.098 0.000 1.023 212 R CB 1.353 31.584 30.300 -0.114 0.000 1.157 212 R HN 0.144 nan 8.270 nan 0.000 0.530 213 P HA -0.131 nan 4.420 nan 0.000 0.261 213 P C -0.022 177.257 177.300 -0.036 0.000 1.183 213 P CA -0.019 63.058 63.100 -0.038 0.000 0.761 213 P CB 0.684 32.368 31.700 -0.028 0.000 0.785 214 V N 4.556 124.453 119.914 -0.027 0.000 2.780 214 V HA 0.022 4.143 4.120 0.000 0.000 0.301 214 V C 1.583 177.669 176.094 -0.012 0.000 1.168 214 V CA 2.351 64.642 62.300 -0.016 0.000 1.305 214 V CB -0.648 31.173 31.823 -0.002 0.000 0.858 214 V HN 1.033 nan 8.190 nan 0.000 0.502 215 G N 3.573 112.369 108.800 -0.006 0.000 2.179 215 G HA2 -0.239 3.721 3.960 0.000 0.000 0.260 215 G HA3 -0.239 3.721 3.960 0.000 0.000 0.260 215 G C 0.314 175.207 174.900 -0.012 0.000 0.977 215 G CA 0.892 45.990 45.100 -0.003 0.000 0.641 215 G HN 1.805 nan 8.290 nan 0.000 0.533 216 T N -2.725 111.816 114.554 -0.022 0.000 2.940 216 T HA 0.637 4.987 4.350 0.000 0.000 0.288 216 T C 0.128 174.803 174.700 -0.041 0.000 1.033 216 T CA -0.202 61.877 62.100 -0.034 0.000 1.033 216 T CB 2.009 70.855 68.868 -0.038 0.000 1.079 216 T HN 0.076 nan 8.240 nan 0.000 0.496 217 N N 0.631 119.293 118.700 -0.062 0.000 2.546 217 N HA 0.268 5.008 4.740 0.000 0.000 0.286 217 N C -0.928 174.529 175.510 -0.089 0.000 1.259 217 N CA -0.291 52.710 53.050 -0.081 0.000 0.939 217 N CB 0.049 38.448 38.487 -0.146 0.000 1.243 217 N HN 0.675 nan 8.380 nan 0.000 0.511 218 T N 1.099 115.613 114.554 -0.066 0.000 2.779 218 T HA 0.357 4.707 4.350 0.000 0.000 0.280 218 T C 0.059 174.731 174.700 -0.048 0.000 0.987 218 T CA -0.532 61.533 62.100 -0.059 0.000 0.966 218 T CB 1.080 69.918 68.868 -0.050 0.000 0.933 218 T HN -0.034 nan 8.240 nan 0.000 0.442 219 I N 3.423 123.968 120.570 -0.041 0.000 2.347 219 I HA 0.307 4.477 4.170 0.000 0.000 0.294 219 I C 0.766 176.867 176.117 -0.027 0.000 1.090 219 I CA -0.856 60.424 61.300 -0.034 0.000 1.314 219 I CB -0.358 37.627 38.000 -0.026 0.000 1.423 219 I HN 0.675 nan 8.210 nan 0.000 0.503 220 A N 7.824 130.628 122.820 -0.026 0.000 2.294 220 A HA 0.594 4.914 4.320 0.000 0.000 0.316 220 A C -0.090 177.490 177.584 -0.007 0.000 1.359 220 A CA -0.444 51.584 52.037 -0.017 0.000 0.956 220 A CB 0.279 19.269 19.000 -0.017 0.000 1.155 220 A HN 0.441 nan 8.150 nan 0.000 0.544 221 V N 2.887 122.798 119.914 -0.004 0.000 2.532 221 V HA 0.789 4.909 4.120 0.000 0.000 0.295 221 V C 0.483 176.580 176.094 0.005 0.000 1.041 221 V CA 0.006 62.308 62.300 0.003 0.000 0.926 221 V CB 1.342 33.167 31.823 0.003 0.000 0.992 221 V HN 1.075 nan 8.190 nan 0.000 0.457 222 T N 0.061 114.621 114.554 0.009 0.000 2.853 222 T HA 0.854 5.204 4.350 0.000 0.000 0.311 222 T C -0.081 174.626 174.700 0.012 0.000 1.307 222 T CA -0.030 62.075 62.100 0.009 0.000 1.019 222 T CB 1.581 70.454 68.868 0.010 0.000 1.264 222 T HN 2.054 nan 8.240 nan 0.000 0.497 223 G N 0.629 109.434 108.800 0.010 0.000 2.582 223 G HA2 0.295 4.256 3.960 0.000 0.000 0.222 223 G HA3 0.295 4.256 3.960 0.000 0.000 0.222 223 G C -0.333 174.572 174.900 0.009 0.000 1.311 223 G CA -0.064 45.042 45.100 0.010 0.000 0.915 223 G HN 1.818 nan 8.290 nan 0.000 0.528 224 S N -1.438 114.267 115.700 0.009 0.000 2.600 224 S HA 0.829 5.299 4.470 0.000 0.000 0.300 224 S C -1.098 173.506 174.600 0.008 0.000 1.087 224 S CA -0.127 58.077 58.200 0.007 0.000 0.965 224 S CB 1.645 64.848 63.200 0.006 0.000 1.089 224 S HN 1.914 nan 8.310 nan 0.000 0.496 225 L N 3.763 124.990 121.223 0.007 0.000 2.470 225 L HA 0.677 5.017 4.340 0.000 0.000 0.268 225 L C -2.644 174.229 176.870 0.006 0.000 0.964 225 L CA -1.755 53.089 54.840 0.007 0.000 0.839 225 L CB 2.364 44.427 42.059 0.007 0.000 1.276 225 L HN 0.476 nan 8.230 nan 0.000 0.403 226 P HA 0.155 nan 4.420 nan 0.000 0.276 226 P C 0.093 177.396 177.300 0.004 0.000 1.230 226 P CA -0.138 62.965 63.100 0.004 0.000 0.776 226 P CB 1.246 32.948 31.700 0.004 0.000 0.888 227 A N 4.204 127.027 122.820 0.004 0.000 1.917 227 A HA -0.243 4.078 4.320 0.000 0.000 0.219 227 A C 1.511 179.097 177.584 0.004 0.000 1.182 227 A CA 2.343 54.382 52.037 0.004 0.000 0.633 227 A CB -1.401 17.601 19.000 0.003 0.000 0.819 227 A HN 0.616 nan 8.150 nan 0.000 0.448 228 D N 0.194 120.596 120.400 0.004 0.000 2.348 228 D HA 0.288 4.928 4.640 0.000 0.000 0.216 228 D C 0.825 177.127 176.300 0.004 0.000 0.970 228 D CA 0.593 54.595 54.000 0.004 0.000 0.889 228 D CB -0.677 40.125 40.800 0.003 0.000 0.912 228 D HN 0.473 nan 8.370 nan 0.000 0.524 229 A N 0.357 123.180 122.820 0.004 0.000 2.407 229 A HA 0.552 4.872 4.320 0.000 0.000 0.248 229 A C 0.621 178.208 177.584 0.005 0.000 1.082 229 A CA -0.113 51.927 52.037 0.005 0.000 0.785 229 A CB 0.195 19.198 19.000 0.005 0.000 1.020 229 A HN 0.350 nan 8.150 nan 0.000 0.489 230 A N 2.787 125.610 122.820 0.005 0.000 2.425 230 A HA 0.546 4.866 4.320 0.000 0.000 0.249 230 A C -2.152 175.436 177.584 0.007 0.000 1.084 230 A CA -1.142 50.898 52.037 0.006 0.000 0.781 230 A CB -0.767 18.236 19.000 0.006 0.000 1.019 230 A HN 0.660 nan 8.150 nan 0.000 0.490 231 P HA 0.126 nan 4.420 nan 0.000 0.260 231 P C -0.674 176.631 177.300 0.009 0.000 1.172 231 P CA 0.139 63.244 63.100 0.008 0.000 0.760 231 P CB 0.294 31.999 31.700 0.009 0.000 0.773 232 V N 4.444 124.363 119.914 0.009 0.000 2.387 232 V HA 0.102 4.222 4.120 0.000 0.000 0.260 232 V C 1.117 177.216 176.094 0.009 0.000 1.054 232 V CA -0.245 62.060 62.300 0.010 0.000 0.967 232 V CB -0.132 31.698 31.823 0.011 0.000 1.036 232 V HN 0.650 nan 8.190 nan 0.000 0.481 233 T N 2.503 117.063 114.554 0.010 0.000 2.813 233 T HA 0.722 5.072 4.350 0.000 0.000 0.297 233 T C -0.084 174.618 174.700 0.005 0.000 1.036 233 T CA -0.029 62.075 62.100 0.006 0.000 1.044 233 T CB 1.646 70.522 68.868 0.014 0.000 0.993 233 T HN 1.337 nan 8.240 nan 0.000 0.535 234 A N 1.786 124.602 122.820 -0.007 0.000 2.560 234 A HA 0.538 4.859 4.320 0.000 0.000 0.300 234 A C -0.861 176.710 177.584 -0.023 0.000 1.062 234 A CA -0.901 51.137 52.037 0.002 0.000 0.767 234 A CB 0.865 19.879 19.000 0.023 0.000 1.288 234 A HN 0.897 nan 8.150 nan 0.000 0.396 235 L N 3.170 124.386 121.223 -0.011 0.000 2.290 235 L HA 0.585 4.926 4.340 0.000 0.000 0.284 235 L C 0.072 176.944 176.870 0.003 0.000 1.078 235 L CA -0.404 54.414 54.840 -0.036 0.000 0.815 235 L CB 0.710 42.760 42.059 -0.015 0.000 1.162 235 L HN 0.673 nan 8.230 nan 0.000 0.435 236 R N 1.202 121.681 120.500 -0.035 0.000 2.698 236 R HA 0.398 4.739 4.340 0.000 0.000 0.275 236 R C -0.449 175.820 176.300 -0.052 0.000 1.001 236 R CA -0.683 55.390 56.100 -0.044 0.000 0.896 236 R CB 2.181 32.452 30.300 -0.049 0.000 1.218 236 R HN 0.674 nan 8.270 nan 0.000 0.462 237 T N -1.698 112.812 114.554 -0.072 0.000 2.754 237 T HA 0.549 4.899 4.350 0.000 0.000 0.286 237 T C 0.718 175.411 174.700 -0.012 0.000 0.997 237 T CA -0.591 61.484 62.100 -0.041 0.000 0.982 237 T CB 0.925 69.756 68.868 -0.062 0.000 1.027 237 T HN 0.412 nan 8.240 nan 0.000 0.529 238 V N -2.110 117.823 119.914 0.033 0.000 3.078 238 V HA 0.691 4.811 4.120 0.000 0.000 0.311 238 V C -0.850 175.308 176.094 0.107 0.000 1.138 238 V CA -1.268 61.086 62.300 0.090 0.000 1.007 238 V CB 1.727 33.658 31.823 0.180 0.000 1.045 238 V HN 0.974 nan 8.190 nan 0.000 0.432 239 D N 1.064 121.541 120.400 0.128 0.000 2.329 239 D HA 0.279 4.919 4.640 0.000 0.000 0.246 239 D C 0.096 176.513 176.300 0.196 0.000 1.111 239 D CA 0.425 54.497 54.000 0.120 0.000 0.941 239 D CB 0.600 41.441 40.800 0.068 0.000 1.169 239 D HN 0.822 nan 8.370 nan 0.000 0.441 240 E N 1.172 121.463 120.200 0.151 0.000 2.173 240 E HA -0.179 4.171 4.350 0.000 0.000 0.160 240 E C -1.830 174.842 176.600 0.120 0.000 1.581 240 E CA 0.046 56.536 56.400 0.151 0.000 0.618 240 E CB -0.809 28.993 29.700 0.170 0.000 1.049 240 E HN 0.467 nan 8.360 nan 0.000 0.311 241 P HA -0.238 nan 4.420 nan 0.000 0.217 241 P C 1.346 178.626 177.300 -0.034 0.000 1.151 241 P CA 2.238 65.341 63.100 0.006 0.000 0.849 241 P CB 0.175 31.900 31.700 0.041 0.000 0.787 242 A N -0.292 122.532 122.820 0.007 0.000 1.930 242 A HA -0.077 4.243 4.320 0.000 0.000 0.217 242 A C 2.305 179.885 177.584 -0.007 0.000 1.175 242 A CA 1.893 53.932 52.037 0.002 0.000 0.627 242 A CB -1.515 17.505 19.000 0.033 0.000 0.815 242 A HN 0.200 nan 8.150 nan 0.000 0.443 243 A N -0.357 122.478 122.820 0.024 0.000 1.933 243 A HA -0.041 4.279 4.320 0.000 0.000 0.218 243 A C 2.112 179.540 177.584 -0.261 0.000 1.175 243 A CA 1.729 53.801 52.037 0.059 0.000 0.628 243 A CB -0.593 18.601 19.000 0.322 0.000 0.814 243 A HN 0.703 nan 8.150 nan 0.000 0.444 244 L N -0.108 120.681 121.223 -0.724 0.000 2.017 244 L HA -0.076 4.264 4.340 0.000 0.000 0.208 244 L C 2.657 179.355 176.870 -0.288 0.000 1.073 244 L CA 2.332 56.592 54.840 -0.968 0.000 0.745 244 L CB -0.958 40.626 42.059 -0.792 0.000 0.894 244 L HN 0.336 nan 8.230 nan 0.000 0.432 245 A N -0.376 122.351 122.820 -0.154 0.000 1.908 245 A HA -0.116 4.204 4.320 0.000 0.000 0.218 245 A C 2.360 179.962 177.584 0.029 0.000 1.181 245 A CA 1.764 53.774 52.037 -0.044 0.000 0.627 245 A CB -1.713 17.259 19.000 -0.047 0.000 0.818 245 A HN 0.569 nan 8.150 nan 0.000 0.445 246 G N -0.788 108.033 108.800 0.035 0.000 2.586 246 G HA2 -0.393 3.567 3.960 0.000 0.000 0.218 246 G HA3 -0.393 3.567 3.960 0.000 0.000 0.218 246 G C 1.479 176.453 174.900 0.123 0.000 1.216 246 G CA 1.699 46.862 45.100 0.105 0.000 0.786 246 G HN 0.823 nan 8.290 nan 0.000 0.583 247 H N 0.431 119.499 119.070 -0.003 0.000 2.353 247 H HA 0.037 4.593 4.556 0.000 0.000 0.298 247 H C 2.502 177.841 175.328 0.019 0.000 1.103 247 H CA 1.660 57.719 56.048 0.018 0.000 1.293 247 H CB -0.279 29.509 29.762 0.043 0.000 1.372 247 H HN 0.296 nan 8.280 nan 0.000 0.501 248 L N -0.996 120.241 121.223 0.024 0.000 2.141 248 L HA -0.130 4.210 4.340 0.000 0.000 0.209 248 L C 2.045 178.935 176.870 0.033 0.000 1.094 248 L CA 0.844 55.679 54.840 -0.007 0.000 0.763 248 L CB -0.357 41.736 42.059 0.056 0.000 0.908 248 L HN 0.326 nan 8.230 nan 0.000 0.437 249 F N 1.127 121.023 119.950 -0.090 0.000 2.293 249 F HA -0.165 4.362 4.527 0.000 0.000 0.297 249 F C 2.409 178.156 175.800 -0.088 0.000 1.089 249 F CA 1.505 59.462 58.000 -0.073 0.000 1.377 249 F CB -0.186 38.786 39.000 -0.047 0.000 1.051 249 F HN 0.135 nan 8.300 nan 0.000 0.511 250 E N 0.419 120.495 120.200 -0.207 0.000 2.023 250 E HA -0.283 4.067 4.350 0.000 0.000 0.196 250 E C 2.080 178.513 176.600 -0.277 0.000 1.003 250 E CA 2.104 58.336 56.400 -0.279 0.000 0.809 250 E CB -0.468 29.116 29.700 -0.194 0.000 0.755 250 E HN 0.520 nan 8.360 nan 0.000 0.449 251 E N 0.045 120.082 120.200 -0.272 0.000 2.065 251 E HA -0.296 4.054 4.350 0.000 0.000 0.201 251 E C 2.068 178.575 176.600 -0.154 0.000 1.016 251 E CA 1.659 57.932 56.400 -0.211 0.000 0.818 251 E CB -0.377 29.192 29.700 -0.217 0.000 0.749 251 E HN 0.470 nan 8.360 nan 0.000 0.453 252 A N 0.535 123.280 122.820 -0.125 0.000 1.892 252 A HA -0.237 4.083 4.320 0.000 0.000 0.218 252 A C 2.196 179.680 177.584 -0.167 0.000 1.188 252 A CA 1.564 53.552 52.037 -0.082 0.000 0.631 252 A CB -0.814 18.229 19.000 0.073 0.000 0.822 252 A HN 0.207 nan 8.150 nan 0.000 0.447 253 L N -1.400 119.615 121.223 -0.345 0.000 1.994 253 L HA -0.198 4.142 4.340 0.000 0.000 0.208 253 L C 2.669 179.426 176.870 -0.189 0.000 1.071 253 L CA 1.845 56.489 54.840 -0.327 0.000 0.745 253 L CB -0.530 41.237 42.059 -0.487 0.000 0.892 253 L HN 0.400 nan 8.230 nan 0.000 0.431 254 E N -0.317 119.776 120.200 -0.177 0.000 2.097 254 E HA -0.262 4.088 4.350 0.000 0.000 0.196 254 E C 2.275 178.822 176.600 -0.087 0.000 1.000 254 E CA 1.519 57.847 56.400 -0.118 0.000 0.804 254 E CB -0.158 29.475 29.700 -0.112 0.000 0.740 254 E HN 0.264 nan 8.360 nan 0.000 0.454 255 S N -0.509 115.140 115.700 -0.086 0.000 2.547 255 S HA -0.028 4.442 4.470 0.000 0.000 0.235 255 S C 0.862 175.435 174.600 -0.045 0.000 0.980 255 S CA 0.627 58.793 58.200 -0.056 0.000 0.941 255 S CB -0.206 62.965 63.200 -0.048 0.000 0.763 255 S HN 0.249 nan 8.310 nan 0.000 0.532 256 N N 0.461 119.128 118.700 -0.056 0.000 2.282 256 N HA 0.199 4.939 4.740 0.000 0.000 0.240 256 N C 0.720 176.206 175.510 -0.040 0.000 1.182 256 N CA 0.516 53.543 53.050 -0.038 0.000 0.874 256 N CB 0.893 39.362 38.487 -0.030 0.000 1.126 256 N HN 0.484 nan 8.380 nan 0.000 0.516 257 G N 0.651 109.424 108.800 -0.046 0.000 2.160 257 G HA2 -0.250 3.711 3.960 0.000 0.000 0.251 257 G HA3 -0.250 3.711 3.960 0.000 0.000 0.251 257 G C -0.103 174.768 174.900 -0.049 0.000 1.008 257 G CA -0.002 45.073 45.100 -0.041 0.000 0.724 257 G HN 0.188 nan 8.290 nan 0.000 0.514 258 V N 1.997 121.869 119.914 -0.071 0.000 2.311 258 V HA 0.448 4.568 4.120 0.000 0.000 0.275 258 V C 0.735 176.773 176.094 -0.094 0.000 1.022 258 V CA -0.033 62.219 62.300 -0.081 0.000 0.830 258 V CB 1.218 32.981 31.823 -0.102 0.000 1.012 258 V HN 0.385 nan 8.190 nan 0.000 0.452 259 T N 4.182 118.693 114.554 -0.072 0.000 2.814 259 T HA 0.372 4.722 4.350 0.000 0.000 0.297 259 T C 0.012 174.665 174.700 -0.078 0.000 0.956 259 T CA -0.303 61.755 62.100 -0.070 0.000 1.123 259 T CB 1.233 70.072 68.868 -0.049 0.000 0.902 259 T HN 0.300 nan 8.240 nan 0.000 0.528 260 V N 4.732 124.592 119.914 -0.090 0.000 2.294 260 V HA 0.236 4.356 4.120 0.000 0.000 0.272 260 V C 1.186 177.237 176.094 -0.073 0.000 1.027 260 V CA -0.531 61.712 62.300 -0.094 0.000 0.823 260 V CB 0.989 32.735 31.823 -0.128 0.000 1.030 260 V HN 0.875 nan 8.190 nan 0.000 0.457 261 K N 2.686 123.051 120.400 -0.059 0.000 2.432 261 K HA 0.156 4.476 4.320 0.000 0.000 0.196 261 K C 1.112 177.684 176.600 -0.047 0.000 1.038 261 K CA 0.644 56.904 56.287 -0.045 0.000 0.986 261 K CB 0.418 32.899 32.500 -0.032 0.000 0.782 261 K HN 0.819 nan 8.250 nan 0.000 0.485 262 G N 0.232 108.992 108.800 -0.066 0.000 2.938 262 G HA2 0.157 4.118 3.960 0.000 0.000 0.258 262 G HA3 0.157 4.118 3.960 0.000 0.000 0.258 262 G C -0.939 173.909 174.900 -0.086 0.000 1.356 262 G CA -0.689 44.367 45.100 -0.073 0.000 1.052 262 G HN -0.022 nan 8.290 nan 0.000 0.550 263 D N -0.599 119.744 120.400 -0.095 0.000 2.357 263 D HA 0.325 4.965 4.640 0.000 0.000 0.242 263 D C -0.013 176.207 176.300 -0.133 0.000 1.153 263 D CA 0.043 53.994 54.000 -0.082 0.000 0.918 263 D CB 1.925 42.692 40.800 -0.055 0.000 1.181 263 D HN 0.023 nan 8.370 nan 0.000 0.435 264 V N 0.150 120.025 119.914 -0.064 0.000 2.483 264 V HA 0.783 4.903 4.120 0.000 0.000 0.295 264 V C 0.795 176.892 176.094 0.005 0.000 1.035 264 V CA -0.215 62.053 62.300 -0.053 0.000 0.896 264 V CB 1.404 33.243 31.823 0.027 0.000 0.986 264 V HN 0.836 nan 8.190 nan 0.000 0.447 265 G N 2.943 111.753 108.800 0.016 0.000 2.441 265 G HA2 0.470 4.430 3.960 0.000 0.000 0.294 265 G HA3 0.470 4.430 3.960 0.000 0.000 0.294 265 G C -1.659 173.350 174.900 0.183 0.000 1.393 265 G CA -1.017 44.148 45.100 0.109 0.000 0.796 265 G HN 0.598 nan 8.290 nan 0.000 0.494 266 L N 0.259 121.592 121.223 0.183 0.000 2.397 266 L HA 0.681 5.021 4.340 0.000 0.000 0.271 266 L C 0.902 177.881 176.870 0.182 0.000 1.148 266 L CA 0.149 55.090 54.840 0.168 0.000 0.825 266 L CB 1.115 43.242 42.059 0.113 0.000 1.117 266 L HN 0.999 nan 8.230 nan 0.000 0.456 267 G N 0.799 109.674 108.800 0.125 0.000 2.596 267 G HA2 0.490 4.450 3.960 0.000 0.000 0.296 267 G HA3 0.490 4.450 3.960 0.000 0.000 0.296 267 G C -1.150 173.800 174.900 0.083 0.000 1.513 267 G CA -0.392 44.677 45.100 -0.051 0.000 0.851 267 G HN 0.777 nan 8.290 nan 0.000 0.548 268 G N -0.428 108.355 108.800 -0.027 0.000 2.367 268 G HA2 0.561 4.522 3.960 0.000 0.000 0.314 268 G HA3 0.561 4.522 3.960 0.000 0.000 0.314 268 G C 0.175 174.855 174.900 -0.367 0.000 1.130 268 G CA -0.480 44.567 45.100 -0.089 0.000 0.864 268 G HN 1.070 nan 8.290 nan 0.000 0.486 269 V N 4.108 123.644 119.914 -0.630 0.000 2.486 269 V HA 0.001 4.121 4.120 0.000 0.000 0.290 269 V C -1.376 174.241 176.094 -0.794 0.000 0.991 269 V CA -0.623 60.983 62.300 -1.155 0.000 1.142 269 V CB 0.150 31.542 31.823 -0.718 0.000 0.926 269 V HN 0.583 nan 8.190 nan 0.000 0.472 270 P HA 0.106 nan 4.420 nan 0.000 0.268 270 P C 0.613 177.709 177.300 -0.340 0.000 1.208 270 P CA 0.071 62.817 63.100 -0.589 0.000 0.777 270 P CB 0.694 31.983 31.700 -0.685 0.000 0.875 271 A N 2.251 124.972 122.820 -0.167 0.000 2.067 271 A HA -0.131 4.189 4.320 0.000 0.000 0.217 271 A C 1.669 179.265 177.584 0.020 0.000 1.156 271 A CA 1.401 53.401 52.037 -0.062 0.000 0.683 271 A CB -0.928 18.046 19.000 -0.043 0.000 0.808 271 A HN 0.679 nan 8.150 nan 0.000 0.455 272 D N -1.543 118.887 120.400 0.050 0.000 2.348 272 D HA -0.133 4.507 4.640 0.000 0.000 0.216 272 D C -0.289 176.184 176.300 0.288 0.000 0.970 272 D CA 0.070 54.156 54.000 0.143 0.000 0.889 272 D CB -0.342 40.541 40.800 0.138 0.000 0.912 272 D HN 0.416 nan 8.370 nan 0.000 0.524 273 W N 2.141 123.418 121.300 -0.038 0.000 2.510 273 W HA 0.337 4.998 4.660 0.000 0.000 0.388 273 W C 1.379 177.879 176.519 -0.032 0.000 1.092 273 W CA -0.680 56.643 57.345 -0.036 0.000 1.562 273 W CB 0.079 29.499 29.460 -0.066 0.000 1.603 273 W HN 0.055 nan 8.180 nan 0.000 0.396 274 Q N 0.505 120.392 119.800 0.144 0.000 2.250 274 Q HA -0.056 4.284 4.340 0.000 0.000 0.200 274 Q C 0.018 176.046 176.000 0.047 0.000 0.941 274 Q CA 0.939 56.789 55.803 0.080 0.000 0.872 274 Q CB 0.314 29.082 28.738 0.050 0.000 0.965 274 Q HN 0.251 nan 8.270 nan 0.000 0.480 275 D N 0.262 120.669 120.400 0.011 0.000 2.683 275 D HA 0.307 4.947 4.640 0.000 0.000 0.309 275 D C -1.277 174.995 176.300 -0.046 0.000 1.238 275 D CA -0.151 53.841 54.000 -0.013 0.000 0.936 275 D CB 0.636 41.420 40.800 -0.027 0.000 1.001 275 D HN 0.226 nan 8.370 nan 0.000 0.505 276 A N 1.283 124.109 122.820 0.011 0.000 2.483 276 A HA 0.259 4.579 4.320 0.000 0.000 0.238 276 A C 0.441 178.028 177.584 0.004 0.000 1.070 276 A CA 0.009 52.057 52.037 0.019 0.000 0.770 276 A CB 0.461 19.589 19.000 0.214 0.000 1.008 276 A HN 0.310 nan 8.150 nan 0.000 0.497 277 E N 1.677 121.867 120.200 -0.017 0.000 2.055 277 E HA 0.413 4.763 4.350 0.000 0.000 0.274 277 E C -0.973 175.653 176.600 0.043 0.000 0.949 277 E CA -0.265 56.133 56.400 -0.003 0.000 0.775 277 E CB 0.844 30.524 29.700 -0.034 0.000 1.097 277 E HN 0.292 nan 8.360 nan 0.000 0.404 278 V N 7.741 127.679 119.914 0.040 0.000 2.287 278 V HA 0.011 4.131 4.120 0.000 0.000 0.246 278 V C 1.443 177.563 176.094 0.043 0.000 1.165 278 V CA 0.206 62.535 62.300 0.048 0.000 1.088 278 V CB -0.340 31.499 31.823 0.027 0.000 1.242 278 V HN 0.815 nan 8.190 nan 0.000 0.497 279 L N 2.963 124.224 121.223 0.064 0.000 2.131 279 L HA 0.100 4.440 4.340 0.000 0.000 0.210 279 L C 1.149 178.054 176.870 0.059 0.000 1.092 279 L CA 1.512 56.389 54.840 0.062 0.000 0.759 279 L CB -0.176 41.934 42.059 0.085 0.000 0.903 279 L HN 0.726 nan 8.230 nan 0.000 0.435 280 A N -0.305 122.552 122.820 0.062 0.000 2.594 280 A HA 0.582 4.902 4.320 0.000 0.000 0.295 280 A C -1.790 175.809 177.584 0.025 0.000 1.071 280 A CA -0.544 51.524 52.037 0.051 0.000 0.685 280 A CB 1.560 20.607 19.000 0.079 0.000 1.285 280 A HN 0.195 nan 8.150 nan 0.000 0.405 281 D N -0.838 119.573 120.400 0.019 0.000 2.609 281 D HA 0.613 5.253 4.640 0.000 0.000 0.239 281 D C -0.888 175.441 176.300 0.049 0.000 1.229 281 D CA -0.323 53.680 54.000 0.004 0.000 0.808 281 D CB 1.122 41.907 40.800 -0.024 0.000 1.448 281 D HN 0.776 nan 8.370 nan 0.000 0.433 282 H N -1.064 117.963 119.070 -0.071 0.000 2.865 282 H HA 0.769 5.325 4.556 0.000 0.000 0.372 282 H C -1.418 173.871 175.328 -0.065 0.000 1.173 282 H CA -0.454 55.558 56.048 -0.061 0.000 1.147 282 H CB 2.453 32.177 29.762 -0.064 0.000 1.805 282 H HN 0.390 nan 8.280 nan 0.000 0.553 283 T N 2.736 116.749 114.554 -0.903 0.000 2.881 283 T HA 0.322 4.672 4.350 0.000 0.000 0.291 283 T C -0.579 173.734 174.700 -0.645 0.000 0.990 283 T CA -0.771 60.995 62.100 -0.555 0.000 0.976 283 T CB 0.925 69.603 68.868 -0.316 0.000 0.970 283 T HN 0.748 nan 8.240 nan 0.000 0.438 284 S N 2.294 117.851 115.700 -0.238 0.000 2.600 284 S HA 0.655 5.125 4.470 0.000 0.000 0.265 284 S C 0.832 175.409 174.600 -0.039 0.000 1.325 284 S CA -0.894 57.274 58.200 -0.054 0.000 1.002 284 S CB 0.417 63.654 63.200 0.062 0.000 0.921 284 S HN 0.997 nan 8.310 nan 0.000 0.554 285 A N 0.921 123.739 122.820 -0.004 0.000 2.492 285 A HA 0.248 4.568 4.320 0.000 0.000 0.236 285 A C 0.495 178.116 177.584 0.061 0.000 1.078 285 A CA -0.280 51.770 52.037 0.022 0.000 0.773 285 A CB -0.512 18.513 19.000 0.042 0.000 1.023 285 A HN 0.881 nan 8.150 nan 0.000 0.504 286 E N -0.361 119.873 120.200 0.056 0.000 2.409 286 E HA 0.117 4.467 4.350 0.000 0.000 0.257 286 E C 1.071 177.753 176.600 0.138 0.000 1.150 286 E CA -0.337 56.110 56.400 0.078 0.000 0.942 286 E CB 0.316 30.045 29.700 0.049 0.000 0.979 286 E HN 0.594 nan 8.360 nan 0.000 0.447 287 L N 2.378 123.707 121.223 0.176 0.000 2.089 287 L HA -0.292 4.048 4.340 0.000 0.000 0.213 287 L C 2.012 178.983 176.870 0.169 0.000 1.079 287 L CA 2.382 57.350 54.840 0.214 0.000 0.758 287 L CB -0.781 41.391 42.059 0.189 0.000 0.891 287 L HN 0.693 nan 8.230 nan 0.000 0.433 288 S N -0.911 114.875 115.700 0.143 0.000 2.359 288 S HA -0.285 4.185 4.470 0.000 0.000 0.223 288 S C 1.763 176.448 174.600 0.143 0.000 1.039 288 S CA 1.631 59.916 58.200 0.141 0.000 1.042 288 S CB -0.944 62.333 63.200 0.129 0.000 0.915 288 S HN 0.692 nan 8.310 nan 0.000 0.439 289 E N 1.125 121.405 120.200 0.133 0.000 2.150 289 E HA 0.039 4.389 4.350 0.000 0.000 0.193 289 E C 2.050 178.753 176.600 0.171 0.000 0.985 289 E CA 1.071 57.557 56.400 0.144 0.000 0.814 289 E CB -0.380 29.393 29.700 0.122 0.000 0.752 289 E HN 0.605 nan 8.360 nan 0.000 0.466 290 I N 1.061 121.719 120.570 0.146 0.000 2.546 290 I HA -0.198 3.972 4.170 0.000 0.000 0.255 290 I C 2.225 178.485 176.117 0.239 0.000 1.163 290 I CA 0.563 61.934 61.300 0.119 0.000 1.457 290 I CB -0.081 37.924 38.000 0.009 0.000 1.092 290 I HN 0.136 nan 8.210 nan 0.000 0.434 291 L N 0.274 121.645 121.223 0.247 0.000 2.191 291 L HA -0.163 4.177 4.340 0.000 0.000 0.212 291 L C 2.476 179.462 176.870 0.193 0.000 1.103 291 L CA 1.144 56.146 54.840 0.270 0.000 0.769 291 L CB -0.461 41.689 42.059 0.152 0.000 0.908 291 L HN 0.169 nan 8.230 nan 0.000 0.438 292 V N 0.844 120.879 119.914 0.202 0.000 2.221 292 V HA -0.141 3.979 4.120 0.000 0.000 0.242 292 V C -0.218 175.998 176.094 0.203 0.000 1.041 292 V CA 1.761 64.156 62.300 0.159 0.000 0.995 292 V CB -2.038 29.913 31.823 0.213 0.000 0.635 292 V HN 0.324 nan 8.190 nan 0.000 0.448 293 P HA -0.204 nan 4.420 nan 0.000 0.223 293 P C 1.693 179.332 177.300 0.566 0.000 1.144 293 P CA 1.676 65.106 63.100 0.549 0.000 0.783 293 P CB -0.155 31.985 31.700 0.733 0.000 0.771 294 F N 0.307 120.468 119.950 0.352 0.000 2.053 294 F HA -0.138 4.389 4.527 0.000 0.000 0.292 294 F C 2.185 178.046 175.800 0.103 0.000 1.125 294 F CA 1.007 59.198 58.000 0.318 0.000 1.193 294 F CB -0.223 38.991 39.000 0.356 0.000 0.996 294 F HN -0.283 nan 8.300 nan 0.000 0.470 295 M N 0.401 119.860 119.600 -0.235 0.000 2.193 295 M HA -0.087 4.394 4.480 0.000 0.000 0.265 295 M C 1.937 178.028 176.300 -0.349 0.000 1.071 295 M CA 1.013 56.001 55.300 -0.520 0.000 1.140 295 M CB -0.996 31.246 32.600 -0.596 0.000 1.369 295 M HN 0.044 nan 8.290 nan 0.000 0.423 296 K N 0.772 120.956 120.400 -0.360 0.000 2.015 296 K HA -0.134 4.186 4.320 0.000 0.000 0.216 296 K C 1.722 177.957 176.600 -0.609 0.000 1.052 296 K CA 1.781 57.698 56.287 -0.617 0.000 0.937 296 K CB -0.895 30.981 32.500 -1.040 0.000 0.719 296 K HN 0.320 nan 8.250 nan 0.000 0.446 297 F N 0.175 120.045 119.950 -0.135 0.000 2.727 297 F HA 0.217 4.744 4.527 0.000 0.000 0.302 297 F C 0.586 176.343 175.800 -0.072 0.000 1.097 297 F CA -0.092 57.835 58.000 -0.121 0.000 1.330 297 F CB -0.050 38.865 39.000 -0.143 0.000 1.084 297 F HN -0.141 nan 8.300 nan 0.000 0.578 298 S N 1.369 117.111 115.700 0.071 0.000 3.681 298 S HA -0.291 4.179 4.470 0.000 0.000 0.473 298 S C -0.183 174.512 174.600 0.158 0.000 0.830 298 S CA 0.108 58.351 58.200 0.072 0.000 1.355 298 S CB -1.849 61.347 63.200 -0.007 0.000 0.892 298 S HN 0.645 nan 8.310 nan 0.000 0.649 299 N N 2.222 121.093 118.700 0.284 0.000 2.439 299 N HA 0.421 5.161 4.740 0.000 0.000 0.249 299 N C 1.141 176.717 175.510 0.110 0.000 1.003 299 N CA -0.788 52.318 53.050 0.093 0.000 0.942 299 N CB 0.433 38.784 38.487 -0.228 0.000 1.115 299 N HN 0.410 nan 8.380 nan 0.000 0.505 300 N N 2.773 121.526 118.700 0.088 0.000 2.142 300 N HA -0.097 4.644 4.740 0.000 0.000 0.186 300 N C 1.826 177.417 175.510 0.135 0.000 1.023 300 N CA 1.145 54.271 53.050 0.128 0.000 0.852 300 N CB -0.653 37.882 38.487 0.080 0.000 0.998 300 N HN 0.703 nan 8.380 nan 0.000 0.424 301 G N 1.250 110.102 108.800 0.087 0.000 2.631 301 G HA2 -0.325 3.635 3.960 0.000 0.000 0.219 301 G HA3 -0.325 3.635 3.960 0.000 0.000 0.219 301 G C 1.303 176.258 174.900 0.092 0.000 1.214 301 G CA 1.379 46.553 45.100 0.123 0.000 0.785 301 G HN 0.491 nan 8.290 nan 0.000 0.596 302 H N 0.592 119.549 119.070 -0.188 0.000 2.319 302 H HA -0.065 4.491 4.556 0.000 0.000 0.297 302 H C 3.058 178.053 175.328 -0.555 0.000 1.097 302 H CA 0.656 56.422 56.048 -0.469 0.000 1.285 302 H CB -0.028 29.240 29.762 -0.824 0.000 1.368 302 H HN 0.453 nan 8.280 nan 0.000 0.495 303 A N 1.426 123.996 122.820 -0.417 0.000 1.873 303 A HA -0.213 4.107 4.320 0.000 0.000 0.218 303 A C 2.215 179.848 177.584 0.081 0.000 1.193 303 A CA 1.910 53.900 52.037 -0.079 0.000 0.629 303 A CB -0.251 18.905 19.000 0.260 0.000 0.826 303 A HN 0.415 nan 8.150 nan 0.000 0.447 304 E N -0.439 119.861 120.200 0.167 0.000 2.076 304 E HA -0.117 4.233 4.350 0.000 0.000 0.190 304 E C 2.217 178.800 176.600 -0.028 0.000 0.979 304 E CA 1.053 57.600 56.400 0.244 0.000 0.807 304 E CB -0.475 29.557 29.700 0.553 0.000 0.761 304 E HN 0.703 nan 8.360 nan 0.000 0.454 305 M N 0.793 120.391 119.600 -0.003 0.000 2.226 305 M HA -0.243 4.237 4.480 0.000 0.000 0.257 305 M C 2.600 178.895 176.300 -0.009 0.000 1.070 305 M CA 1.759 57.077 55.300 0.030 0.000 1.087 305 M CB -0.995 31.674 32.600 0.116 0.000 1.278 305 M HN 0.064 nan 8.290 nan 0.000 0.426 306 L N -0.354 120.859 121.223 -0.017 0.000 2.081 306 L HA -0.198 4.142 4.340 0.000 0.000 0.212 306 L C 2.519 179.401 176.870 0.019 0.000 1.080 306 L CA 0.897 55.764 54.840 0.044 0.000 0.754 306 L CB -0.886 41.206 42.059 0.055 0.000 0.893 306 L HN 0.136 nan 8.230 nan 0.000 0.433 307 V N -0.159 119.748 119.914 -0.012 0.000 2.287 307 V HA -0.290 3.830 4.120 0.000 0.000 0.248 307 V C 2.552 178.535 176.094 -0.185 0.000 1.053 307 V CA 1.773 64.055 62.300 -0.029 0.000 1.027 307 V CB -0.491 31.374 31.823 0.070 0.000 0.646 307 V HN 0.442 nan 8.190 nan 0.000 0.447 308 K N -0.322 119.799 120.400 -0.464 0.000 2.147 308 K HA -0.101 4.219 4.320 0.000 0.000 0.205 308 K C 2.393 178.754 176.600 -0.399 0.000 1.049 308 K CA 1.459 57.257 56.287 -0.815 0.000 0.936 308 K CB -0.333 31.005 32.500 -1.935 0.000 0.722 308 K HN 0.394 nan 8.250 nan 0.000 0.446 309 S N 1.594 117.277 115.700 -0.027 0.000 2.345 309 S HA -0.074 4.397 4.470 0.000 0.000 0.220 309 S C 2.071 176.719 174.600 0.080 0.000 1.031 309 S CA 0.922 59.283 58.200 0.269 0.000 0.996 309 S CB -0.236 63.212 63.200 0.412 0.000 0.882 309 S HN 0.172 nan 8.310 nan 0.000 0.445 310 I N 1.698 122.280 120.570 0.020 0.000 2.236 310 I HA -0.254 3.916 4.170 0.000 0.000 0.249 310 I C 2.528 178.625 176.117 -0.032 0.000 1.102 310 I CA 1.277 62.575 61.300 -0.004 0.000 1.365 310 I CB -0.779 37.223 38.000 0.004 0.000 1.051 310 I HN 0.375 nan 8.210 nan 0.000 0.420 311 G N -0.428 108.322 108.800 -0.084 0.000 2.446 311 G HA2 -0.251 3.709 3.960 0.000 0.000 0.217 311 G HA3 -0.251 3.709 3.960 0.000 0.000 0.217 311 G C 1.609 176.431 174.900 -0.130 0.000 1.168 311 G CA 0.426 45.451 45.100 -0.125 0.000 0.771 311 G HN 0.293 nan 8.290 nan 0.000 0.551 312 Q N -0.129 119.585 119.800 -0.143 0.000 2.119 312 Q HA -0.056 4.284 4.340 0.000 0.000 0.201 312 Q C 2.455 178.395 176.000 -0.100 0.000 0.972 312 Q CA 1.383 57.043 55.803 -0.238 0.000 0.847 312 Q CB -0.111 28.340 28.738 -0.479 0.000 0.903 312 Q HN 0.545 nan 8.270 nan 0.000 0.433 313 E N 0.099 120.300 120.200 0.002 0.000 2.015 313 E HA -0.124 4.226 4.350 0.000 0.000 0.191 313 E C 1.921 178.526 176.600 0.009 0.000 0.991 313 E CA 2.223 58.648 56.400 0.041 0.000 0.802 313 E CB -0.236 29.496 29.700 0.053 0.000 0.759 313 E HN 0.402 nan 8.360 nan 0.000 0.447 314 T N -2.692 111.858 114.554 -0.007 0.000 3.023 314 T HA 0.180 4.530 4.350 0.000 0.000 0.266 314 T C 1.446 176.133 174.700 -0.021 0.000 1.093 314 T CA 1.040 63.136 62.100 -0.006 0.000 1.129 314 T CB 0.183 69.048 68.868 -0.004 0.000 0.899 314 T HN 0.161 nan 8.240 nan 0.000 0.491 315 A N -0.178 122.616 122.820 -0.044 0.000 2.548 315 A HA 0.691 5.011 4.320 0.000 0.000 0.236 315 A C 1.656 179.192 177.584 -0.080 0.000 1.246 315 A CA 0.452 52.457 52.037 -0.054 0.000 0.993 315 A CB -0.169 18.798 19.000 -0.056 0.000 1.209 315 A HN 1.329 nan 8.150 nan 0.000 0.570 316 G N -0.552 108.180 108.800 -0.113 0.000 2.221 316 G HA2 0.165 4.126 3.960 0.000 0.000 0.265 316 G HA3 0.165 4.126 3.960 0.000 0.000 0.265 316 G C 0.259 175.038 174.900 -0.202 0.000 1.041 316 G CA 0.403 45.400 45.100 -0.173 0.000 0.807 316 G HN 1.847 nan 8.290 nan 0.000 0.502 317 A N 0.003 122.705 122.820 -0.196 0.000 2.646 317 A HA 0.761 5.081 4.320 0.000 0.000 0.312 317 A C 0.660 178.112 177.584 -0.220 0.000 1.245 317 A CA 0.487 52.416 52.037 -0.180 0.000 0.755 317 A CB 0.833 19.760 19.000 -0.122 0.000 1.132 317 A HN 1.711 nan 8.150 nan 0.000 0.458 318 G N 2.019 110.669 108.800 -0.250 0.000 2.916 318 G HA2 0.472 4.432 3.960 0.000 0.000 0.280 318 G HA3 0.472 4.432 3.960 0.000 0.000 0.280 318 G C -0.113 174.559 174.900 -0.380 0.000 0.758 318 G CA 0.325 45.267 45.100 -0.263 0.000 1.993 318 G HN 0.598 nan 8.290 nan 0.000 0.564 319 T N 0.601 114.912 114.554 -0.405 0.000 2.982 319 T HA 0.171 4.522 4.350 0.000 0.000 0.321 319 T C 0.405 174.941 174.700 -0.273 0.000 1.229 319 T CA -0.784 61.118 62.100 -0.331 0.000 1.044 319 T CB 1.419 70.192 68.868 -0.157 0.000 1.184 319 T HN 0.365 nan 8.240 nan 0.000 0.477 320 W N 1.573 122.758 121.300 -0.192 0.000 2.315 320 W HA -0.138 4.522 4.660 0.000 0.000 0.323 320 W C 1.664 178.113 176.519 -0.117 0.000 1.233 320 W CA 1.647 58.896 57.345 -0.160 0.000 1.267 320 W CB -0.689 28.673 29.460 -0.163 0.000 1.160 320 W HN 0.784 nan 8.180 nan 0.000 0.474 321 D N -0.234 120.251 120.400 0.142 0.000 2.157 321 D HA -0.215 4.425 4.640 0.000 0.000 0.191 321 D C 2.143 178.453 176.300 0.015 0.000 1.004 321 D CA 2.628 56.660 54.000 0.054 0.000 0.854 321 D CB -0.885 39.932 40.800 0.027 0.000 0.936 321 D HN 0.084 nan 8.370 nan 0.000 0.446 322 A N 0.251 123.060 122.820 -0.019 0.000 1.874 322 A HA 0.152 4.472 4.320 0.000 0.000 0.214 322 A C 2.417 179.981 177.584 -0.034 0.000 1.189 322 A CA 1.773 53.788 52.037 -0.036 0.000 0.615 322 A CB -1.070 17.890 19.000 -0.066 0.000 0.830 322 A HN 0.282 nan 8.150 nan 0.000 0.443 323 G N 0.055 108.819 108.800 -0.060 0.000 2.547 323 G HA2 -0.254 3.706 3.960 0.000 0.000 0.221 323 G HA3 -0.254 3.706 3.960 0.000 0.000 0.221 323 G C 1.373 176.283 174.900 0.016 0.000 1.140 323 G CA 1.507 46.579 45.100 -0.046 0.000 0.760 323 G HN 0.344 nan 8.290 nan 0.000 0.583 324 L N 0.188 121.438 121.223 0.045 0.000 2.109 324 L HA 0.102 4.442 4.340 0.000 0.000 0.207 324 L C 3.077 179.965 176.870 0.030 0.000 1.086 324 L CA 0.694 55.567 54.840 0.055 0.000 0.760 324 L CB -0.651 41.446 42.059 0.064 0.000 0.910 324 L HN 0.128 nan 8.230 nan 0.000 0.437 325 V N -0.514 119.411 119.914 0.017 0.000 2.427 325 V HA -0.140 3.981 4.120 0.000 0.000 0.248 325 V C 2.416 178.519 176.094 0.014 0.000 1.051 325 V CA 1.648 63.955 62.300 0.011 0.000 1.048 325 V CB -1.025 30.800 31.823 0.002 0.000 0.666 325 V HN 0.551 nan 8.190 nan 0.000 0.456 326 G N -0.847 107.960 108.800 0.012 0.000 2.534 326 G HA2 -0.101 3.860 3.960 0.000 0.000 0.217 326 G HA3 -0.101 3.860 3.960 0.000 0.000 0.217 326 G C 1.518 176.437 174.900 0.031 0.000 1.128 326 G CA 0.969 46.078 45.100 0.015 0.000 0.784 326 G HN 0.381 nan 8.290 nan 0.000 0.542 327 V N 0.235 120.174 119.914 0.042 0.000 2.273 327 V HA -0.082 4.038 4.120 0.000 0.000 0.242 327 V C 2.669 178.802 176.094 0.065 0.000 1.035 327 V CA 1.742 64.081 62.300 0.065 0.000 1.013 327 V CB -0.101 31.773 31.823 0.087 0.000 0.652 327 V HN 0.315 nan 8.190 nan 0.000 0.452 328 E N 0.637 120.864 120.200 0.045 0.000 2.108 328 E HA -0.300 4.051 4.350 0.000 0.000 0.203 328 E C 2.106 178.732 176.600 0.044 0.000 1.022 328 E CA 2.252 58.674 56.400 0.037 0.000 0.823 328 E CB -0.194 29.516 29.700 0.016 0.000 0.744 328 E HN 0.705 nan 8.360 nan 0.000 0.456 329 E N -0.028 120.193 120.200 0.036 0.000 2.012 329 E HA -0.197 4.154 4.350 0.000 0.000 0.197 329 E C 2.136 178.764 176.600 0.047 0.000 1.007 329 E CA 1.123 57.544 56.400 0.035 0.000 0.816 329 E CB -0.331 29.384 29.700 0.026 0.000 0.762 329 E HN 0.356 nan 8.360 nan 0.000 0.451 330 A N 1.469 124.319 122.820 0.050 0.000 1.923 330 A HA -0.283 4.037 4.320 0.000 0.000 0.222 330 A C 2.238 179.869 177.584 0.078 0.000 1.258 330 A CA 1.928 54.002 52.037 0.061 0.000 0.670 330 A CB -1.085 17.948 19.000 0.055 0.000 0.834 330 A HN 0.200 nan 8.150 nan 0.000 0.470 331 L N -1.229 120.047 121.223 0.088 0.000 2.027 331 L HA -0.141 4.199 4.340 0.000 0.000 0.206 331 L C 2.918 179.839 176.870 0.085 0.000 1.074 331 L CA 1.451 56.355 54.840 0.107 0.000 0.745 331 L CB -0.611 41.539 42.059 0.152 0.000 0.898 331 L HN 0.380 nan 8.230 nan 0.000 0.433 332 S N 0.228 115.969 115.700 0.069 0.000 2.380 332 S HA -0.200 4.270 4.470 0.000 0.000 0.229 332 S C 1.928 176.557 174.600 0.047 0.000 1.043 332 S CA 1.505 59.736 58.200 0.052 0.000 1.038 332 S CB -0.672 62.553 63.200 0.040 0.000 0.872 332 S HN 0.639 nan 8.310 nan 0.000 0.456 333 G N 0.323 109.153 108.800 0.050 0.000 2.509 333 G HA2 -0.089 3.871 3.960 0.000 0.000 0.218 333 G HA3 -0.089 3.871 3.960 0.000 0.000 0.218 333 G C 1.158 176.089 174.900 0.053 0.000 1.124 333 G CA 0.327 45.456 45.100 0.048 0.000 0.776 333 G HN 0.433 nan 8.290 nan 0.000 0.547 334 L N 0.127 121.389 121.223 0.065 0.000 2.591 334 L HA 0.381 4.721 4.340 0.000 0.000 0.228 334 L C 1.976 178.862 176.870 0.027 0.000 1.133 334 L CA 1.250 56.128 54.840 0.062 0.000 0.880 334 L CB 0.151 42.272 42.059 0.102 0.000 1.033 334 L HN 0.334 nan 8.230 nan 0.000 0.450 335 G N -1.462 107.356 108.800 0.030 0.000 2.234 335 G HA2 -0.237 3.724 3.960 0.000 0.000 0.235 335 G HA3 -0.237 3.724 3.960 0.000 0.000 0.235 335 G C 0.331 175.250 174.900 0.031 0.000 0.997 335 G CA 0.067 45.179 45.100 0.019 0.000 0.623 335 G HN 0.148 nan 8.290 nan 0.000 0.514 336 V N 1.665 121.608 119.914 0.048 0.000 2.673 336 V HA 0.386 4.507 4.120 0.000 0.000 0.303 336 V C 0.558 176.695 176.094 0.071 0.000 1.046 336 V CA 0.616 62.959 62.300 0.071 0.000 1.126 336 V CB 1.433 33.324 31.823 0.112 0.000 0.934 336 V HN 0.466 nan 8.190 nan 0.000 0.487 337 D N 3.042 123.484 120.400 0.071 0.000 2.317 337 D HA 0.273 4.913 4.640 0.000 0.000 0.234 337 D C 0.960 177.300 176.300 0.067 0.000 1.112 337 D CA -0.046 53.988 54.000 0.058 0.000 0.840 337 D CB 1.417 42.244 40.800 0.046 0.000 1.078 337 D HN 0.716 nan 8.370 nan 0.000 0.486 338 T N 1.020 115.605 114.554 0.051 0.000 3.145 338 T HA 0.313 4.663 4.350 0.000 0.000 0.255 338 T C 1.773 176.478 174.700 0.007 0.000 1.039 338 T CA 0.174 62.294 62.100 0.034 0.000 0.928 338 T CB 0.219 69.102 68.868 0.025 0.000 1.029 338 T HN 0.307 nan 8.240 nan 0.000 0.554 339 A N 1.881 124.710 122.820 0.016 0.000 1.940 339 A HA 0.066 4.386 4.320 0.000 0.000 0.221 339 A C 2.404 179.986 177.584 -0.003 0.000 1.190 339 A CA 1.780 53.821 52.037 0.007 0.000 0.647 339 A CB -1.398 17.610 19.000 0.014 0.000 0.821 339 A HN 0.679 nan 8.150 nan 0.000 0.457 340 G N -1.707 107.092 108.800 -0.002 0.000 3.141 340 G HA2 0.405 4.365 3.960 0.000 0.000 0.218 340 G HA3 0.405 4.365 3.960 0.000 0.000 0.218 340 G C 0.331 175.202 174.900 -0.049 0.000 1.170 340 G CA -0.359 44.733 45.100 -0.012 0.000 0.769 340 G HN 0.372 nan 8.290 nan 0.000 0.546 341 L N 1.472 122.647 121.223 -0.080 0.000 2.305 341 L HA 0.410 4.750 4.340 0.000 0.000 0.281 341 L C -0.611 176.190 176.870 -0.116 0.000 1.085 341 L CA -0.486 54.257 54.840 -0.162 0.000 0.813 341 L CB 1.975 43.900 42.059 -0.223 0.000 1.157 341 L HN -0.186 nan 8.230 nan 0.000 0.436 342 V N 5.852 125.694 119.914 -0.120 0.000 2.376 342 V HA 0.330 4.450 4.120 0.000 0.000 0.287 342 V C 0.030 176.070 176.094 -0.090 0.000 1.015 342 V CA -0.496 61.755 62.300 -0.081 0.000 0.834 342 V CB 1.690 33.481 31.823 -0.053 0.000 1.001 342 V HN 0.505 nan 8.190 nan 0.000 0.428 343 L N 4.391 125.569 121.223 -0.074 0.000 2.265 343 L HA 0.507 4.848 4.340 0.000 0.000 0.288 343 L C 0.851 177.694 176.870 -0.045 0.000 1.058 343 L CA -0.176 54.630 54.840 -0.057 0.000 0.809 343 L CB 0.929 42.965 42.059 -0.038 0.000 1.179 343 L HN 0.557 nan 8.230 nan 0.000 0.429 344 N N 0.945 119.618 118.700 -0.045 0.000 2.557 344 N HA 0.005 4.745 4.740 0.000 0.000 0.217 344 N C -0.292 175.140 175.510 -0.130 0.000 1.062 344 N CA 0.448 53.447 53.050 -0.084 0.000 0.863 344 N CB 0.736 39.182 38.487 -0.068 0.000 1.390 344 N HN 0.839 nan 8.380 nan 0.000 0.445 345 D N -2.805 117.574 120.400 -0.036 0.000 2.744 345 D HA 0.393 5.033 4.640 0.000 0.000 0.304 345 D C 0.661 177.052 176.300 0.153 0.000 1.179 345 D CA -0.595 53.413 54.000 0.012 0.000 1.024 345 D CB 0.532 41.346 40.800 0.023 0.000 1.453 345 D HN -0.034 nan 8.370 nan 0.000 0.529 346 G N -1.533 107.424 108.800 0.261 0.000 2.921 346 G HA2 0.098 4.058 3.960 0.000 0.000 0.213 346 G HA3 0.098 4.058 3.960 0.000 0.000 0.213 346 G C 0.935 176.014 174.900 0.298 0.000 1.143 346 G CA 0.643 45.908 45.100 0.275 0.000 0.764 346 G HN 0.523 nan 8.290 nan 0.000 0.542 347 S N -1.439 114.441 115.700 0.300 0.000 2.499 347 S HA 0.406 4.876 4.470 0.000 0.000 0.225 347 S C 1.850 176.556 174.600 0.177 0.000 1.050 347 S CA 1.154 59.515 58.200 0.268 0.000 0.928 347 S CB 0.365 63.718 63.200 0.255 0.000 0.803 347 S HN 1.310 nan 8.310 nan 0.000 0.506 348 G N 1.175 110.067 108.800 0.154 0.000 2.238 348 G HA2 -0.221 3.739 3.960 0.000 0.000 0.217 348 G HA3 -0.221 3.739 3.960 0.000 0.000 0.217 348 G C 0.635 175.552 174.900 0.028 0.000 0.996 348 G CA 0.199 45.349 45.100 0.084 0.000 0.632 348 G HN 0.391 nan 8.290 nan 0.000 0.503 349 L N 1.509 122.734 121.223 0.005 0.000 2.079 349 L HA 0.069 4.409 4.340 0.000 0.000 0.210 349 L C 1.750 178.572 176.870 -0.080 0.000 1.081 349 L CA 2.104 56.840 54.840 -0.174 0.000 0.752 349 L CB -0.721 41.026 42.059 -0.520 0.000 0.896 349 L HN 0.449 nan 8.230 nan 0.000 0.433 350 S N 0.134 115.951 115.700 0.196 0.000 2.525 350 S HA -0.020 4.450 4.470 0.000 0.000 0.285 350 S C 1.434 176.075 174.600 0.068 0.000 1.283 350 S CA -0.378 57.956 58.200 0.222 0.000 1.072 350 S CB 0.520 63.836 63.200 0.193 0.000 0.867 350 S HN 0.251 nan 8.310 nan 0.000 0.492 351 R N 3.699 124.231 120.500 0.053 0.000 2.193 351 R HA -0.078 4.262 4.340 0.000 0.000 0.229 351 R C 2.103 178.429 176.300 0.044 0.000 1.110 351 R CA 1.124 57.243 56.100 0.032 0.000 0.988 351 R CB -0.788 29.563 30.300 0.085 0.000 0.871 351 R HN 0.790 nan 8.270 nan 0.000 0.458 352 G N 0.992 109.823 108.800 0.053 0.000 2.848 352 G HA2 -0.100 3.860 3.960 0.000 0.000 0.208 352 G HA3 -0.100 3.860 3.960 0.000 0.000 0.208 352 G C 0.517 175.418 174.900 0.002 0.000 1.152 352 G CA -0.201 44.914 45.100 0.025 0.000 0.789 352 G HN 0.205 nan 8.290 nan 0.000 0.531 353 N N 0.132 118.834 118.700 0.003 0.000 2.424 353 N HA 0.522 5.262 4.740 0.000 0.000 0.257 353 N C -0.376 175.120 175.510 -0.024 0.000 1.250 353 N CA 0.167 53.206 53.050 -0.018 0.000 0.946 353 N CB 1.347 39.829 38.487 -0.008 0.000 1.175 353 N HN -0.017 nan 8.380 nan 0.000 0.477 354 L N 0.222 121.415 121.223 -0.050 0.000 2.506 354 L HA 0.567 4.907 4.340 0.000 0.000 0.257 354 L C -0.371 176.449 176.870 -0.082 0.000 0.964 354 L CA -0.942 53.871 54.840 -0.044 0.000 0.836 354 L CB 2.013 44.052 42.059 -0.033 0.000 1.384 354 L HN 0.327 nan 8.230 nan 0.000 0.410 355 V N -1.332 118.556 119.914 -0.043 0.000 3.112 355 V HA 0.939 5.059 4.120 0.000 0.000 0.310 355 V C -0.675 175.436 176.094 0.028 0.000 1.364 355 V CA -0.521 61.756 62.300 -0.038 0.000 1.058 355 V CB 2.094 33.929 31.823 0.020 0.000 1.079 355 V HN 0.900 nan 8.190 nan 0.000 0.463 356 T N -2.831 111.768 114.554 0.076 0.000 2.900 356 T HA 0.769 5.119 4.350 0.000 0.000 0.303 356 T C 0.730 175.502 174.700 0.121 0.000 1.142 356 T CA 0.024 62.175 62.100 0.085 0.000 1.007 356 T CB 1.646 70.554 68.868 0.066 0.000 1.156 356 T HN 1.950 nan 8.240 nan 0.000 0.490 357 A N 1.283 124.164 122.820 0.101 0.000 2.019 357 A HA -0.038 4.282 4.320 0.000 0.000 0.219 357 A C 1.841 179.486 177.584 0.102 0.000 1.164 357 A CA 1.733 53.831 52.037 0.101 0.000 0.644 357 A CB -0.847 18.211 19.000 0.096 0.000 0.805 357 A HN 0.913 nan 8.150 nan 0.000 0.449 358 D N -0.361 120.098 120.400 0.098 0.000 2.123 358 D HA -0.093 4.547 4.640 0.000 0.000 0.200 358 D C 1.946 178.314 176.300 0.113 0.000 0.976 358 D CA 1.881 55.936 54.000 0.092 0.000 0.831 358 D CB -0.667 40.178 40.800 0.075 0.000 0.974 358 D HN 0.440 nan 8.370 nan 0.000 0.469 359 T N 1.045 115.687 114.554 0.148 0.000 2.803 359 T HA -0.088 4.262 4.350 0.000 0.000 0.269 359 T C 2.300 177.175 174.700 0.292 0.000 1.052 359 T CA 0.575 62.812 62.100 0.228 0.000 1.136 359 T CB -0.291 68.724 68.868 0.246 0.000 0.864 359 T HN -0.024 nan 8.240 nan 0.000 0.467 360 V N 0.992 121.045 119.914 0.233 0.000 2.229 360 V HA -0.128 3.992 4.120 0.000 0.000 0.243 360 V C 2.684 178.781 176.094 0.004 0.000 1.042 360 V CA 1.246 63.588 62.300 0.070 0.000 1.000 360 V CB -0.803 31.052 31.823 0.054 0.000 0.637 360 V HN 0.272 nan 8.190 nan 0.000 0.446 361 V N 0.529 120.469 119.914 0.042 0.000 2.324 361 V HA -0.322 3.798 4.120 0.000 0.000 0.250 361 V C 2.432 178.560 176.094 0.057 0.000 1.060 361 V CA 2.397 64.728 62.300 0.053 0.000 1.042 361 V CB -0.711 31.157 31.823 0.075 0.000 0.650 361 V HN 0.666 nan 8.190 nan 0.000 0.450 362 D N -0.010 120.426 120.400 0.060 0.000 2.127 362 D HA -0.215 4.426 4.640 0.000 0.000 0.190 362 D C 2.076 178.391 176.300 0.024 0.000 1.000 362 D CA 2.106 56.137 54.000 0.052 0.000 0.839 362 D CB -0.287 40.559 40.800 0.077 0.000 0.955 362 D HN 0.359 nan 8.370 nan 0.000 0.446 363 L N 0.429 121.654 121.223 0.003 0.000 2.012 363 L HA -0.133 4.208 4.340 0.000 0.000 0.210 363 L C 2.452 179.273 176.870 -0.082 0.000 1.073 363 L CA 1.515 56.307 54.840 -0.080 0.000 0.748 363 L CB -0.773 41.139 42.059 -0.245 0.000 0.891 363 L HN 0.132 nan 8.230 nan 0.000 0.431 364 L N -0.183 121.052 121.223 0.019 0.000 2.042 364 L HA -0.163 4.177 4.340 0.000 0.000 0.210 364 L C 2.588 179.557 176.870 0.166 0.000 1.076 364 L CA 1.491 56.456 54.840 0.208 0.000 0.749 364 L CB -1.547 40.668 42.059 0.261 0.000 0.893 364 L HN 0.509 nan 8.230 nan 0.000 0.432 365 G N -0.860 107.981 108.800 0.068 0.000 2.628 365 G HA2 -0.303 3.657 3.960 0.000 0.000 0.217 365 G HA3 -0.303 3.657 3.960 0.000 0.000 0.217 365 G C 1.419 176.278 174.900 -0.068 0.000 1.240 365 G CA 0.522 45.623 45.100 0.002 0.000 0.792 365 G HN 0.293 nan 8.290 nan 0.000 0.593 366 Q N 0.484 120.235 119.800 -0.083 0.000 2.234 366 Q HA -0.019 4.321 4.340 0.000 0.000 0.206 366 Q C 2.855 178.691 176.000 -0.272 0.000 0.980 366 Q CA 1.343 57.064 55.803 -0.137 0.000 0.869 366 Q CB -0.641 28.047 28.738 -0.083 0.000 0.912 366 Q HN 0.496 nan 8.270 nan 0.000 0.436 367 A N 0.519 123.146 122.820 -0.321 0.000 1.872 367 A HA -0.002 4.319 4.320 0.000 0.000 0.214 367 A C 2.270 179.529 177.584 -0.541 0.000 1.187 367 A CA 1.451 53.119 52.037 -0.615 0.000 0.614 367 A CB -0.955 17.430 19.000 -1.025 0.000 0.826 367 A HN 0.422 nan 8.150 nan 0.000 0.442 368 G N -0.633 108.028 108.800 -0.232 0.000 2.708 368 G HA2 0.119 4.079 3.960 0.000 0.000 0.210 368 G HA3 0.119 4.079 3.960 0.000 0.000 0.210 368 G C 0.540 175.296 174.900 -0.241 0.000 1.141 368 G CA 0.914 45.896 45.100 -0.197 0.000 0.788 368 G HN 0.440 nan 8.290 nan 0.000 0.531 369 S N 0.284 115.803 115.700 -0.301 0.000 2.497 369 S HA 0.708 5.178 4.470 0.000 0.000 0.193 369 S C -0.031 174.335 174.600 -0.390 0.000 1.360 369 S CA -0.088 57.951 58.200 -0.269 0.000 1.204 369 S CB 0.866 63.950 63.200 -0.193 0.000 1.171 369 S HN 0.620 nan 8.310 nan 0.000 0.502 370 A N 1.842 124.365 122.820 -0.496 0.000 2.547 370 A HA 0.764 5.085 4.320 0.000 0.000 0.297 370 A C -2.552 174.707 177.584 -0.541 0.000 1.056 370 A CA -1.555 50.027 52.037 -0.758 0.000 0.688 370 A CB 0.870 18.827 19.000 -1.738 0.000 1.282 370 A HN 0.205 nan 8.150 nan 0.000 0.400 371 P HA -0.178 nan 4.420 nan 0.000 0.216 371 P C 1.415 178.693 177.300 -0.037 0.000 1.154 371 P CA 2.125 65.138 63.100 -0.144 0.000 0.865 371 P CB -0.068 31.613 31.700 -0.032 0.000 0.789 372 W N -0.942 120.383 121.300 0.042 0.000 2.518 372 W HA 0.256 4.916 4.660 0.000 0.000 0.273 372 W C 1.817 178.408 176.519 0.120 0.000 1.247 372 W CA 0.429 57.822 57.345 0.081 0.000 1.288 372 W CB -1.757 27.760 29.460 0.094 0.000 1.107 372 W HN -0.095 nan 8.180 nan 0.000 0.586 373 A N 2.001 124.769 122.820 -0.086 0.000 1.925 373 A HA -0.412 3.908 4.320 0.000 0.000 0.244 373 A C 2.090 179.874 177.584 0.333 0.000 1.963 373 A CA 3.285 55.357 52.037 0.058 0.000 0.753 373 A CB -1.308 17.604 19.000 -0.147 0.000 0.842 373 A HN 0.343 nan 8.150 nan 0.000 0.530 374 Q N -1.778 118.153 119.800 0.219 0.000 2.061 374 Q HA -0.147 4.193 4.340 0.000 0.000 0.204 374 Q C 2.384 178.537 176.000 0.255 0.000 0.984 374 Q CA 2.206 58.134 55.803 0.208 0.000 0.846 374 Q CB -1.118 27.699 28.738 0.133 0.000 0.902 374 Q HN 0.782 nan 8.270 nan 0.000 0.421 375 T N 0.379 115.110 114.554 0.294 0.000 2.915 375 T HA -0.120 4.231 4.350 0.000 0.000 0.269 375 T C 1.281 176.174 174.700 0.320 0.000 1.071 375 T CA 1.004 63.266 62.100 0.270 0.000 1.132 375 T CB -0.262 68.758 68.868 0.252 0.000 0.878 375 T HN 0.540 nan 8.240 nan 0.000 0.479 376 W N 1.151 122.616 121.300 0.274 0.000 2.358 376 W HA -0.113 4.547 4.660 0.000 0.000 0.303 376 W C 2.412 179.020 176.519 0.148 0.000 1.208 376 W CA 1.374 58.868 57.345 0.248 0.000 1.274 376 W CB -0.901 28.863 29.460 0.506 0.000 1.138 376 W HN 0.354 nan 8.180 nan 0.000 0.515 377 S N 1.193 117.069 115.700 0.293 0.000 2.368 377 S HA -0.165 4.305 4.470 0.000 0.000 0.225 377 S C 2.054 176.654 174.600 -0.000 0.000 1.030 377 S CA 1.937 60.218 58.200 0.137 0.000 0.999 377 S CB -0.718 62.648 63.200 0.276 0.000 0.844 377 S HN 0.284 nan 8.310 nan 0.000 0.459 378 A N 0.672 123.522 122.820 0.051 0.000 2.216 378 A HA 0.056 4.376 4.320 0.000 0.000 0.214 378 A C 2.229 179.793 177.584 -0.034 0.000 1.160 378 A CA 1.570 53.624 52.037 0.028 0.000 0.725 378 A CB -0.672 18.373 19.000 0.076 0.000 0.784 378 A HN 0.770 nan 8.150 nan 0.000 0.472 379 S N -0.947 114.681 115.700 -0.120 0.000 2.483 379 S HA 0.269 4.740 4.470 0.000 0.000 0.221 379 S C 0.418 174.845 174.600 -0.288 0.000 1.030 379 S CA -0.308 57.782 58.200 -0.185 0.000 0.925 379 S CB -0.485 62.572 63.200 -0.238 0.000 0.795 379 S HN 0.244 nan 8.310 nan 0.000 0.511 380 L N 3.517 124.535 121.223 -0.343 0.000 2.349 380 L HA 0.446 4.786 4.340 0.000 0.000 0.275 380 L C -2.356 174.354 176.870 -0.266 0.000 1.115 380 L CA -2.200 52.416 54.840 -0.373 0.000 0.820 380 L CB -0.193 41.591 42.059 -0.459 0.000 1.135 380 L HN 0.012 nan 8.230 nan 0.000 0.445 381 P HA -0.035 nan 4.420 nan 0.000 0.266 381 P C -0.873 176.337 177.300 -0.150 0.000 1.186 381 P CA 0.011 62.979 63.100 -0.220 0.000 0.767 381 P CB 0.465 32.034 31.700 -0.219 0.000 0.820 382 V N 1.782 121.629 119.914 -0.111 0.000 2.407 382 V HA 0.459 4.579 4.120 0.000 0.000 0.291 382 V C 0.676 176.735 176.094 -0.058 0.000 1.018 382 V CA -1.203 61.056 62.300 -0.068 0.000 0.842 382 V CB 0.947 32.744 31.823 -0.043 0.000 0.996 382 V HN 0.741 nan 8.190 nan 0.000 0.426 383 A N 3.442 126.231 122.820 -0.051 0.000 2.555 383 A HA 0.459 4.779 4.320 0.000 0.000 0.233 383 A C 1.582 179.143 177.584 -0.040 0.000 1.060 383 A CA 0.846 52.855 52.037 -0.048 0.000 0.759 383 A CB -0.399 18.572 19.000 -0.047 0.000 0.995 383 A HN 2.414 nan 8.150 nan 0.000 0.506 384 G N 0.812 109.591 108.800 -0.035 0.000 2.203 384 G HA2 -0.190 3.770 3.960 0.000 0.000 0.263 384 G HA3 -0.190 3.770 3.960 0.000 0.000 0.263 384 G C -0.071 174.820 174.900 -0.014 0.000 1.012 384 G CA 0.552 45.637 45.100 -0.024 0.000 0.749 384 G HN 0.847 nan 8.290 nan 0.000 0.512 385 E N 0.328 120.520 120.200 -0.015 0.000 2.134 385 E HA 0.446 4.796 4.350 0.000 0.000 0.278 385 E C 1.286 177.892 176.600 0.011 0.000 0.959 385 E CA 0.105 56.504 56.400 -0.001 0.000 0.783 385 E CB 1.399 31.097 29.700 -0.003 0.000 1.095 385 E HN 0.180 nan 8.360 nan 0.000 0.399 386 S N 2.021 117.735 115.700 0.022 0.000 2.359 386 S HA -0.220 4.250 4.470 0.000 0.000 0.222 386 S C 0.875 175.510 174.600 0.059 0.000 1.038 386 S CA 1.201 59.421 58.200 0.034 0.000 1.051 386 S CB -0.200 63.020 63.200 0.033 0.000 0.944 386 S HN 0.602 nan 8.310 nan 0.000 0.433 387 D N 3.353 123.796 120.400 0.072 0.000 2.356 387 D HA 0.106 4.746 4.640 0.000 0.000 0.272 387 D C -1.699 174.701 176.300 0.167 0.000 1.337 387 D CA -1.889 52.184 54.000 0.122 0.000 0.970 387 D CB 0.697 41.564 40.800 0.112 0.000 1.092 387 D HN -0.033 nan 8.370 nan 0.000 0.516 388 P HA -0.206 nan 4.420 nan 0.000 0.219 388 P C 0.897 178.266 177.300 0.115 0.000 1.151 388 P CA 1.172 64.418 63.100 0.243 0.000 0.850 388 P CB -0.054 31.862 31.700 0.360 0.000 0.784 389 F N -2.155 117.879 119.950 0.140 0.000 2.780 389 F HA -0.029 4.498 4.527 0.000 0.000 0.299 389 F C 2.038 177.788 175.800 -0.082 0.000 1.146 389 F CA 0.611 58.635 58.000 0.038 0.000 1.428 389 F CB -0.289 38.794 39.000 0.138 0.000 1.115 389 F HN -0.229 nan 8.300 nan 0.000 0.583 390 V N -1.744 118.212 119.914 0.070 0.000 2.908 390 V HA 0.156 4.276 4.120 0.000 0.000 0.240 390 V C 2.413 178.461 176.094 -0.076 0.000 1.117 390 V CA 1.276 63.578 62.300 0.002 0.000 1.133 390 V CB -0.617 31.229 31.823 0.037 0.000 0.857 390 V HN 0.273 nan 8.190 nan 0.000 0.478 391 G N -0.237 108.520 108.800 -0.072 0.000 2.408 391 G HA2 0.303 4.263 3.960 0.000 0.000 0.215 391 G HA3 0.303 4.263 3.960 0.000 0.000 0.215 391 G C 1.163 175.955 174.900 -0.180 0.000 1.156 391 G CA 1.070 46.115 45.100 -0.091 0.000 0.793 391 G HN 0.832 nan 8.290 nan 0.000 0.535 392 G N -0.019 108.589 108.800 -0.320 0.000 2.594 392 G HA2 -0.335 3.625 3.960 0.000 0.000 0.297 392 G HA3 -0.335 3.625 3.960 0.000 0.000 0.297 392 G C 1.255 176.026 174.900 -0.215 0.000 1.273 392 G CA 2.078 46.871 45.100 -0.512 0.000 0.974 392 G HN 1.162 nan 8.290 nan 0.000 0.552 393 T N -0.411 114.032 114.554 -0.184 0.000 3.227 393 T HA 0.366 4.716 4.350 0.000 0.000 0.257 393 T C 1.727 176.378 174.700 -0.082 0.000 1.162 393 T CA 1.374 63.420 62.100 -0.090 0.000 1.051 393 T CB 0.008 68.823 68.868 -0.088 0.000 0.953 393 T HN 0.496 nan 8.240 nan 0.000 0.535 394 L N -0.325 120.841 121.223 -0.096 0.000 2.906 394 L HA 0.483 4.823 4.340 0.000 0.000 0.255 394 L C 2.470 179.306 176.870 -0.056 0.000 1.166 394 L CA -0.063 54.733 54.840 -0.073 0.000 0.977 394 L CB -0.156 41.856 42.059 -0.078 0.000 1.313 394 L HN 0.272 nan 8.230 nan 0.000 0.549 395 A N 0.571 123.361 122.820 -0.050 0.000 1.978 395 A HA -0.141 4.179 4.320 0.000 0.000 0.220 395 A C 1.264 178.838 177.584 -0.016 0.000 1.170 395 A CA 1.460 53.482 52.037 -0.026 0.000 0.636 395 A CB -0.243 18.756 19.000 -0.002 0.000 0.810 395 A HN 0.483 nan 8.150 nan 0.000 0.448 396 N N -0.043 118.646 118.700 -0.019 0.000 2.535 396 N HA 0.256 4.996 4.740 0.000 0.000 0.294 396 N C -0.714 174.782 175.510 -0.024 0.000 1.408 396 N CA 0.045 53.084 53.050 -0.017 0.000 0.927 396 N CB 0.678 39.158 38.487 -0.011 0.000 1.276 396 N HN 0.391 nan 8.380 nan 0.000 0.505 397 R N -0.041 120.441 120.500 -0.030 0.000 2.584 397 R HA 0.388 4.728 4.340 0.000 0.000 0.276 397 R C 0.252 176.530 176.300 -0.038 0.000 1.046 397 R CA -0.553 55.526 56.100 -0.035 0.000 0.906 397 R CB 1.745 32.020 30.300 -0.040 0.000 1.215 397 R HN 0.095 nan 8.270 nan 0.000 0.449 398 M N 0.347 119.924 119.600 -0.040 0.000 2.872 398 M HA -0.264 4.216 4.480 0.000 0.000 0.200 398 M C -0.440 175.839 176.300 -0.035 0.000 0.582 398 M CA 1.067 56.341 55.300 -0.043 0.000 0.706 398 M CB -1.380 31.187 32.600 -0.055 0.000 2.560 398 M HN 0.543 nan 8.290 nan 0.000 0.476 399 R N 1.114 121.598 120.500 -0.027 0.000 2.623 399 R HA 0.298 4.638 4.340 0.000 0.000 0.271 399 R C 1.377 177.667 176.300 -0.017 0.000 1.043 399 R CA 0.960 57.048 56.100 -0.019 0.000 1.083 399 R CB 0.200 30.491 30.300 -0.014 0.000 0.974 399 R HN 0.525 nan 8.270 nan 0.000 0.436 400 G N 1.794 110.587 108.800 -0.012 0.000 2.305 400 G HA2 -0.303 3.657 3.960 0.000 0.000 0.287 400 G HA3 -0.303 3.657 3.960 0.000 0.000 0.287 400 G C 0.134 175.027 174.900 -0.010 0.000 1.036 400 G CA 0.882 45.977 45.100 -0.008 0.000 0.887 400 G HN 0.787 nan 8.290 nan 0.000 0.505 401 T N -5.183 109.361 114.554 -0.016 0.000 2.864 401 T HA 0.825 5.175 4.350 0.000 0.000 0.289 401 T C 1.517 176.205 174.700 -0.019 0.000 1.082 401 T CA 0.318 62.406 62.100 -0.019 0.000 1.009 401 T CB 1.478 70.326 68.868 -0.032 0.000 1.234 401 T HN 1.397 nan 8.240 nan 0.000 0.526 402 A N 0.453 123.264 122.820 -0.015 0.000 1.986 402 A HA 0.125 4.445 4.320 0.000 0.000 0.220 402 A C 2.432 179.965 177.584 -0.085 0.000 1.171 402 A CA 2.272 54.303 52.037 -0.009 0.000 0.640 402 A CB -1.497 17.512 19.000 0.014 0.000 0.811 402 A HN 1.376 nan 8.150 nan 0.000 0.451 403 A N -0.803 121.959 122.820 -0.096 0.000 2.119 403 A HA 0.075 4.395 4.320 0.000 0.000 0.216 403 A C 1.124 178.644 177.584 -0.107 0.000 1.152 403 A CA 0.485 52.443 52.037 -0.132 0.000 0.708 403 A CB -0.287 18.645 19.000 -0.113 0.000 0.805 403 A HN 0.587 nan 8.150 nan 0.000 0.460 404 E N 0.237 120.396 120.200 -0.069 0.000 2.341 404 E HA 0.276 4.626 4.350 0.000 0.000 0.256 404 E C 0.978 177.555 176.600 -0.037 0.000 1.125 404 E CA 0.565 56.938 56.400 -0.044 0.000 0.939 404 E CB -0.373 29.312 29.700 -0.025 0.000 0.991 404 E HN 0.663 nan 8.360 nan 0.000 0.458 405 G N 2.639 111.417 108.800 -0.036 0.000 2.141 405 G HA2 -0.249 3.711 3.960 0.000 0.000 0.231 405 G HA3 -0.249 3.711 3.960 0.000 0.000 0.231 405 G C 0.501 175.385 174.900 -0.027 0.000 0.984 405 G CA 0.186 45.275 45.100 -0.018 0.000 0.660 405 G HN 0.477 nan 8.290 nan 0.000 0.525 406 V N -0.680 119.189 119.914 -0.074 0.000 3.134 406 V HA 0.281 4.401 4.120 0.000 0.000 0.222 406 V C 1.699 177.755 176.094 -0.064 0.000 1.247 406 V CA 0.725 62.950 62.300 -0.125 0.000 1.281 406 V CB 0.014 31.603 31.823 -0.390 0.000 1.169 406 V HN 0.219 nan 8.190 nan 0.000 0.512 407 V N 2.382 122.256 119.914 -0.066 0.000 2.529 407 V HA 0.072 4.192 4.120 0.000 0.000 0.292 407 V C 0.182 176.297 176.094 0.035 0.000 1.028 407 V CA 0.462 62.771 62.300 0.015 0.000 1.074 407 V CB 0.276 32.096 31.823 -0.005 0.000 0.958 407 V HN 0.515 nan 8.190 nan 0.000 0.481 408 E N 3.935 124.181 120.200 0.077 0.000 2.173 408 E HA 0.618 4.968 4.350 0.000 0.000 0.249 408 E C -0.233 176.296 176.600 -0.118 0.000 0.923 408 E CA -0.165 56.218 56.400 -0.028 0.000 0.754 408 E CB 1.459 31.157 29.700 -0.003 0.000 1.177 408 E HN 0.821 nan 8.360 nan 0.000 0.430 409 A N 2.794 125.544 122.820 -0.118 0.000 2.430 409 A HA 0.740 5.060 4.320 0.000 0.000 0.300 409 A C -0.975 176.470 177.584 -0.232 0.000 1.124 409 A CA -0.779 51.158 52.037 -0.166 0.000 0.766 409 A CB 1.718 20.768 19.000 0.084 0.000 1.328 409 A HN 0.277 nan 8.150 nan 0.000 0.424 410 K N 0.377 120.620 120.400 -0.262 0.000 2.324 410 K HA 0.642 4.962 4.320 0.000 0.000 0.253 410 K C -0.137 176.365 176.600 -0.164 0.000 0.932 410 K CA 0.088 56.227 56.287 -0.248 0.000 0.799 410 K CB 1.491 33.802 32.500 -0.316 0.000 1.154 410 K HN 0.932 nan 8.250 nan 0.000 0.425 411 T N -0.545 113.925 114.554 -0.140 0.000 2.912 411 T HA 0.855 5.205 4.350 0.000 0.000 0.280 411 T C 0.095 174.745 174.700 -0.082 0.000 0.989 411 T CA -0.753 61.290 62.100 -0.095 0.000 0.995 411 T CB 1.564 70.378 68.868 -0.090 0.000 1.077 411 T HN 0.609 nan 8.240 nan 0.000 0.531 412 G N 0.332 109.095 108.800 -0.062 0.000 2.635 412 G HA2 0.527 4.487 3.960 0.000 0.000 0.295 412 G HA3 0.527 4.487 3.960 0.000 0.000 0.295 412 G C -1.108 173.761 174.900 -0.051 0.000 1.359 412 G CA -0.619 44.449 45.100 -0.052 0.000 1.232 412 G HN 0.853 nan 8.290 nan 0.000 0.597 413 T N 2.261 116.768 114.554 -0.077 0.000 2.933 413 T HA 0.819 5.169 4.350 0.000 0.000 0.305 413 T C -0.315 174.309 174.700 -0.128 0.000 1.092 413 T CA -0.390 61.662 62.100 -0.081 0.000 1.008 413 T CB 1.591 70.406 68.868 -0.089 0.000 1.102 413 T HN 0.604 nan 8.240 nan 0.000 0.469 414 M N 0.874 120.407 119.600 -0.113 0.000 2.755 414 M HA 0.268 4.748 4.480 0.000 0.000 0.276 414 M C -0.345 175.870 176.300 -0.142 0.000 1.129 414 M CA -0.816 54.381 55.300 -0.172 0.000 0.832 414 M CB 2.142 34.626 32.600 -0.194 0.000 1.700 414 M HN 0.521 nan 8.290 nan 0.000 0.518 415 S N 0.967 116.562 115.700 -0.176 0.000 2.973 415 S HA 0.268 4.738 4.470 0.000 0.000 0.357 415 S C 0.989 175.491 174.600 -0.162 0.000 1.159 415 S CA 1.904 60.017 58.200 -0.144 0.000 1.423 415 S CB -0.964 62.161 63.200 -0.125 0.000 1.115 415 S HN 1.077 nan 8.310 nan 0.000 0.563 416 G N 2.587 111.243 108.800 -0.240 0.000 2.159 416 G HA2 -0.189 3.771 3.960 0.000 0.000 0.227 416 G HA3 -0.189 3.771 3.960 0.000 0.000 0.227 416 G C -0.117 174.623 174.900 -0.267 0.000 0.986 416 G CA -0.075 44.792 45.100 -0.387 0.000 0.651 416 G HN 0.898 nan 8.290 nan 0.000 0.523 417 V N 0.124 119.996 119.914 -0.070 0.000 2.686 417 V HA 0.861 4.982 4.120 0.000 0.000 0.306 417 V C -0.087 176.094 176.094 0.145 0.000 1.065 417 V CA 0.031 62.371 62.300 0.068 0.000 0.894 417 V CB 1.915 33.729 31.823 -0.015 0.000 1.004 417 V HN 0.615 nan 8.190 nan 0.000 0.424 418 S N 2.311 118.105 115.700 0.157 0.000 2.579 418 S HA 0.975 5.445 4.470 0.000 0.000 0.272 418 S C -1.191 173.420 174.600 0.018 0.000 1.141 418 S CA 0.214 58.444 58.200 0.049 0.000 0.843 418 S CB 2.016 65.204 63.200 -0.021 0.000 1.122 418 S HN 1.628 nan 8.310 nan 0.000 0.468 419 A N 1.773 124.590 122.820 -0.005 0.000 2.582 419 A HA 0.725 5.045 4.320 0.000 0.000 0.297 419 A C -2.346 175.232 177.584 -0.011 0.000 1.059 419 A CA -0.408 51.629 52.037 -0.001 0.000 0.705 419 A CB 1.351 20.353 19.000 0.002 0.000 1.279 419 A HN 0.852 nan 8.150 nan 0.000 0.404 420 L N 1.143 122.373 121.223 0.012 0.000 2.505 420 L HA 0.834 5.174 4.340 0.000 0.000 0.266 420 L C -0.734 176.099 176.870 -0.061 0.000 0.954 420 L CA 0.206 55.067 54.840 0.036 0.000 0.852 420 L CB 2.074 44.229 42.059 0.159 0.000 1.282 420 L HN 0.778 nan 8.230 nan 0.000 0.403 421 S N 2.216 117.714 115.700 -0.337 0.000 2.603 421 S HA 0.954 5.424 4.470 0.000 0.000 0.274 421 S C -0.249 173.846 174.600 -0.841 0.000 1.168 421 S CA -0.037 57.708 58.200 -0.759 0.000 0.963 421 S CB 1.790 64.751 63.200 -0.399 0.000 1.078 421 S HN 1.149 nan 8.310 nan 0.000 0.477 422 G N 1.739 109.770 108.800 -1.282 0.000 2.498 422 G HA2 0.408 4.368 3.960 0.000 0.000 0.181 422 G HA3 0.408 4.368 3.960 0.000 0.000 0.181 422 G C -2.465 172.285 174.900 -0.250 0.000 1.169 422 G CA -0.458 44.199 45.100 -0.738 0.000 0.992 422 G HN 0.417 nan 8.290 nan 0.000 0.490 423 Y N -0.018 120.317 120.300 0.058 0.000 2.377 423 Y HA 0.629 5.179 4.550 0.000 0.000 0.339 423 Y C 0.197 176.225 175.900 0.213 0.000 1.011 423 Y CA -1.670 56.523 58.100 0.155 0.000 1.093 423 Y CB 2.249 40.770 38.460 0.102 0.000 1.201 423 Y HN 0.304 nan 8.280 nan 0.000 0.455 424 V N 4.964 125.101 119.914 0.371 0.000 2.235 424 V HA 0.316 4.436 4.120 0.000 0.000 0.266 424 V C -2.359 173.838 176.094 0.170 0.000 1.055 424 V CA -1.808 60.618 62.300 0.210 0.000 0.844 424 V CB 0.282 32.200 31.823 0.157 0.000 1.097 424 V HN 0.537 nan 8.190 nan 0.000 0.453 425 P HA 0.662 nan 4.420 nan 0.000 0.276 425 P C 0.174 177.613 177.300 0.231 0.000 1.252 425 P CA 0.246 63.432 63.100 0.143 0.000 0.802 425 P CB 2.099 33.874 31.700 0.124 0.000 1.035 426 G N 0.409 109.331 108.800 0.204 0.000 2.328 426 G HA2 0.209 4.169 3.960 0.000 0.000 0.299 426 G HA3 0.209 4.169 3.960 0.000 0.000 0.299 426 G C -2.646 172.268 174.900 0.024 0.000 1.435 426 G CA -0.790 44.450 45.100 0.232 0.000 0.865 426 G HN 0.150 nan 8.290 nan 0.000 0.601 427 P HA -0.187 nan 4.420 nan 0.000 0.219 427 P C 0.896 178.153 177.300 -0.072 0.000 1.161 427 P CA 1.562 64.605 63.100 -0.097 0.000 0.909 427 P CB 0.217 31.821 31.700 -0.161 0.000 0.793 428 E N -0.319 119.831 120.200 -0.083 0.000 2.320 428 E HA 0.361 4.711 4.350 0.000 0.000 0.189 428 E C 0.558 177.122 176.600 -0.060 0.000 1.100 428 E CA -0.125 56.222 56.400 -0.088 0.000 1.009 428 E CB -0.442 29.174 29.700 -0.140 0.000 1.145 428 E HN 0.257 nan 8.360 nan 0.000 0.454 429 G N 1.407 110.193 108.800 -0.023 0.000 2.570 429 G HA2 -0.196 3.764 3.960 0.000 0.000 0.686 429 G HA3 -0.196 3.764 3.960 0.000 0.000 0.686 429 G C -0.822 174.099 174.900 0.035 0.000 1.257 429 G CA -0.925 44.174 45.100 -0.001 0.000 0.846 429 G HN 0.201 nan 8.290 nan 0.000 0.627 430 E N -1.170 119.045 120.200 0.025 0.000 2.349 430 E HA 0.748 5.098 4.350 0.000 0.000 0.262 430 E C -0.330 176.310 176.600 0.066 0.000 1.088 430 E CA -0.540 55.878 56.400 0.031 0.000 0.899 430 E CB 1.121 30.795 29.700 -0.043 0.000 1.044 430 E HN 1.048 nan 8.360 nan 0.000 0.420 431 L N 1.714 123.004 121.223 0.110 0.000 2.518 431 L HA 0.763 5.103 4.340 0.000 0.000 0.257 431 L C -1.952 175.073 176.870 0.258 0.000 0.980 431 L CA -0.406 54.540 54.840 0.176 0.000 0.837 431 L CB 2.042 44.230 42.059 0.215 0.000 1.410 431 L HN 0.589 nan 8.230 nan 0.000 0.410 432 A N 2.970 125.955 122.820 0.277 0.000 2.422 432 A HA 0.866 5.186 4.320 0.000 0.000 0.302 432 A C -1.525 176.250 177.584 0.319 0.000 1.041 432 A CA -0.351 51.887 52.037 0.335 0.000 0.708 432 A CB 1.074 20.240 19.000 0.276 0.000 1.257 432 A HN 0.938 nan 8.150 nan 0.000 0.414 433 F N 0.220 120.239 119.950 0.115 0.000 2.613 433 F HA 0.880 5.407 4.527 0.000 0.000 0.310 433 F C -0.460 175.365 175.800 0.041 0.000 1.085 433 F CA -0.824 57.212 58.000 0.061 0.000 0.945 433 F CB 1.767 40.780 39.000 0.022 0.000 1.298 433 F HN 0.498 nan 8.300 nan 0.000 0.455 434 S N 2.602 118.346 115.700 0.074 0.000 2.571 434 S HA 0.796 5.266 4.470 0.000 0.000 0.284 434 S C -1.351 173.334 174.600 0.141 0.000 1.128 434 S CA -0.570 57.627 58.200 -0.006 0.000 0.970 434 S CB 0.941 64.139 63.200 -0.003 0.000 1.039 434 S HN 0.646 nan 8.310 nan 0.000 0.485 435 I N 4.338 124.989 120.570 0.135 0.000 2.439 435 I HA 0.430 4.600 4.170 0.000 0.000 0.283 435 I C -1.017 175.138 176.117 0.064 0.000 1.023 435 I CA -0.782 60.585 61.300 0.113 0.000 1.100 435 I CB 2.030 40.105 38.000 0.126 0.000 1.238 435 I HN 0.298 nan 8.210 nan 0.000 0.445 436 V N 5.542 125.490 119.914 0.057 0.000 2.276 436 V HA 0.290 4.410 4.120 0.000 0.000 0.268 436 V C -0.172 175.953 176.094 0.051 0.000 1.032 436 V CA -0.777 61.553 62.300 0.050 0.000 0.810 436 V CB 0.690 32.549 31.823 0.061 0.000 1.060 436 V HN 0.642 nan 8.190 nan 0.000 0.446 437 N N 3.739 122.461 118.700 0.038 0.000 2.497 437 N HA 0.258 4.998 4.740 0.000 0.000 0.271 437 N C -0.468 175.128 175.510 0.144 0.000 1.142 437 N CA 0.092 53.173 53.050 0.051 0.000 0.965 437 N CB 1.193 39.640 38.487 -0.066 0.000 1.077 437 N HN 0.552 nan 8.380 nan 0.000 0.462 438 N N 0.330 119.134 118.700 0.174 0.000 2.478 438 N HA 0.278 5.018 4.740 0.000 0.000 0.291 438 N C 0.321 175.892 175.510 0.102 0.000 1.090 438 N CA 0.035 53.166 53.050 0.135 0.000 0.911 438 N CB 1.552 40.081 38.487 0.070 0.000 1.546 438 N HN 0.723 nan 8.380 nan 0.000 0.500 439 G N 1.784 110.579 108.800 -0.008 0.000 2.175 439 G HA2 -0.241 3.719 3.960 0.000 0.000 0.244 439 G HA3 -0.241 3.719 3.960 0.000 0.000 0.244 439 G C 0.109 174.951 174.900 -0.097 0.000 0.982 439 G CA 0.425 45.481 45.100 -0.073 0.000 0.641 439 G HN 0.907 nan 8.290 nan 0.000 0.527 440 H N 1.070 120.140 119.070 -0.000 0.000 3.094 440 H HA 0.340 4.896 4.556 0.000 0.000 0.320 440 H C 1.480 176.806 175.328 -0.002 0.000 1.000 440 H CA 0.690 56.737 56.048 -0.002 0.000 1.413 440 H CB 0.327 30.085 29.762 -0.006 0.000 1.405 440 H HN 0.362 nan 8.280 nan 0.000 0.586 441 S N 1.714 117.435 115.700 0.035 0.000 2.507 441 S HA 0.051 4.521 4.470 0.000 0.000 0.235 441 S C 1.252 175.858 174.600 0.010 0.000 0.988 441 S CA 0.158 58.354 58.200 -0.006 0.000 0.944 441 S CB 0.162 63.369 63.200 0.011 0.000 0.762 441 S HN 0.883 nan 8.310 nan 0.000 0.526 442 G N 1.994 110.841 108.800 0.078 0.000 3.175 442 G HA2 0.609 4.569 3.960 0.000 0.000 0.153 442 G HA3 0.609 4.569 3.960 0.000 0.000 0.153 442 G C -2.811 172.174 174.900 0.141 0.000 1.216 442 G CA -1.182 43.967 45.100 0.083 0.000 0.943 442 G HN 0.297 nan 8.290 nan 0.000 0.611 443 P HA 0.428 nan 4.420 nan 0.000 0.277 443 P C -0.345 177.017 177.300 0.102 0.000 1.240 443 P CA -0.084 63.069 63.100 0.089 0.000 0.798 443 P CB 1.092 32.809 31.700 0.028 0.000 0.979 444 A N 4.318 127.184 122.820 0.077 0.000 2.545 444 A HA 0.175 4.495 4.320 0.000 0.000 0.253 444 A C -1.506 175.975 177.584 -0.171 0.000 1.074 444 A CA -0.832 51.181 52.037 -0.040 0.000 0.760 444 A CB -1.173 17.830 19.000 0.005 0.000 1.005 444 A HN 0.410 nan 8.150 nan 0.000 0.506 445 P HA 0.019 nan 4.420 nan 0.000 0.235 445 P C 0.679 177.891 177.300 -0.147 0.000 1.720 445 P CA 0.203 63.165 63.100 -0.230 0.000 1.003 445 P CB -0.117 31.404 31.700 -0.298 0.000 1.968 446 L N 0.319 121.478 121.223 -0.107 0.000 2.156 446 L HA -0.108 4.232 4.340 0.000 0.000 0.208 446 L C 2.553 179.380 176.870 -0.072 0.000 1.095 446 L CA 1.323 56.115 54.840 -0.080 0.000 0.770 446 L CB -0.940 41.081 42.059 -0.063 0.000 0.914 446 L HN 0.122 nan 8.230 nan 0.000 0.439 447 A N 0.190 122.969 122.820 -0.069 0.000 1.908 447 A HA -0.157 4.163 4.320 0.000 0.000 0.218 447 A C 2.364 179.906 177.584 -0.071 0.000 1.181 447 A CA 1.849 53.849 52.037 -0.062 0.000 0.627 447 A CB -0.787 18.181 19.000 -0.053 0.000 0.818 447 A HN 0.183 nan 8.150 nan 0.000 0.445 448 V N -0.295 119.572 119.914 -0.079 0.000 2.261 448 V HA -0.347 3.773 4.120 0.000 0.000 0.246 448 V C 2.662 178.700 176.094 -0.094 0.000 1.047 448 V CA 2.363 64.612 62.300 -0.085 0.000 1.015 448 V CB -1.029 30.742 31.823 -0.086 0.000 0.642 448 V HN 0.650 nan 8.190 nan 0.000 0.446 449 Q N -0.253 119.496 119.800 -0.085 0.000 2.077 449 Q HA -0.267 4.073 4.340 0.000 0.000 0.206 449 Q C 2.096 178.038 176.000 -0.096 0.000 0.989 449 Q CA 2.174 57.935 55.803 -0.071 0.000 0.853 449 Q CB -0.279 28.433 28.738 -0.043 0.000 0.907 449 Q HN 0.669 nan 8.270 nan 0.000 0.418 450 D N -0.105 120.243 120.400 -0.087 0.000 2.117 450 D HA -0.120 4.521 4.640 0.000 0.000 0.198 450 D C 1.749 177.981 176.300 -0.112 0.000 0.982 450 D CA 1.292 55.236 54.000 -0.093 0.000 0.828 450 D CB -0.287 40.471 40.800 -0.071 0.000 0.967 450 D HN 0.284 nan 8.370 nan 0.000 0.464 451 A N 0.900 123.658 122.820 -0.103 0.000 1.933 451 A HA -0.128 4.192 4.320 0.000 0.000 0.218 451 A C 2.375 179.876 177.584 -0.137 0.000 1.175 451 A CA 0.867 52.843 52.037 -0.103 0.000 0.628 451 A CB -0.676 18.273 19.000 -0.085 0.000 0.814 451 A HN 0.180 nan 8.150 nan 0.000 0.444 452 I N -0.442 120.025 120.570 -0.171 0.000 2.252 452 I HA -0.232 3.938 4.170 0.000 0.000 0.245 452 I C 2.980 178.912 176.117 -0.308 0.000 1.102 452 I CA 0.923 62.081 61.300 -0.236 0.000 1.385 452 I CB -0.394 37.454 38.000 -0.253 0.000 1.064 452 I HN 0.352 nan 8.210 nan 0.000 0.414 453 A N 0.622 123.241 122.820 -0.335 0.000 1.908 453 A HA -0.165 4.155 4.320 0.000 0.000 0.218 453 A C 2.429 179.852 177.584 -0.267 0.000 1.181 453 A CA 1.884 53.669 52.037 -0.420 0.000 0.627 453 A CB -0.979 17.830 19.000 -0.319 0.000 0.818 453 A HN 0.247 nan 8.150 nan 0.000 0.445 454 V N -0.059 119.750 119.914 -0.177 0.000 2.358 454 V HA -0.229 3.891 4.120 0.000 0.000 0.246 454 V C 2.684 178.724 176.094 -0.090 0.000 1.047 454 V CA 1.908 64.139 62.300 -0.115 0.000 1.035 454 V CB -0.830 30.943 31.823 -0.083 0.000 0.658 454 V HN 0.467 nan 8.190 nan 0.000 0.452 455 R N 0.092 120.526 120.500 -0.109 0.000 2.136 455 R HA -0.201 4.139 4.340 0.000 0.000 0.242 455 R C 2.226 178.500 176.300 -0.043 0.000 1.131 455 R CA 1.998 58.047 56.100 -0.084 0.000 0.937 455 R CB -0.960 29.260 30.300 -0.133 0.000 0.863 455 R HN 0.494 nan 8.270 nan 0.000 0.435 456 L N -0.329 120.832 121.223 -0.104 0.000 2.083 456 L HA -0.129 4.211 4.340 0.000 0.000 0.209 456 L C 2.704 179.621 176.870 0.077 0.000 1.083 456 L CA 1.357 56.183 54.840 -0.022 0.000 0.752 456 L CB -0.789 41.185 42.059 -0.142 0.000 0.899 456 L HN 0.166 nan 8.230 nan 0.000 0.433 457 A N 0.442 123.254 122.820 -0.012 0.000 1.902 457 A HA -0.222 4.098 4.320 0.000 0.000 0.217 457 A C 2.203 179.871 177.584 0.139 0.000 1.181 457 A CA 1.790 53.822 52.037 -0.008 0.000 0.623 457 A CB -0.447 18.472 19.000 -0.135 0.000 0.818 457 A HN 0.483 nan 8.150 nan 0.000 0.443 458 E N -1.733 118.533 120.200 0.110 0.000 2.077 458 E HA -0.211 4.139 4.350 0.000 0.000 0.193 458 E C 1.830 178.518 176.600 0.146 0.000 0.989 458 E CA 1.374 57.849 56.400 0.125 0.000 0.800 458 E CB -0.332 29.418 29.700 0.083 0.000 0.746 458 E HN 0.751 nan 8.360 nan 0.000 0.452 459 Y N 0.808 121.126 120.300 0.030 0.000 2.465 459 Y HA -0.160 4.391 4.550 0.000 0.000 0.289 459 Y C 1.868 177.796 175.900 0.046 0.000 1.150 459 Y CA 1.057 59.173 58.100 0.026 0.000 1.293 459 Y CB -0.019 38.447 38.460 0.010 0.000 0.977 459 Y HN -0.015 nan 8.280 nan 0.000 0.556 460 A N -1.032 121.847 122.820 0.099 0.000 2.267 460 A HA 0.446 4.766 4.320 0.000 0.000 0.213 460 A C 1.587 179.170 177.584 -0.002 0.000 1.192 460 A CA 0.604 52.683 52.037 0.070 0.000 0.851 460 A CB -0.698 18.440 19.000 0.229 0.000 0.881 460 A HN 0.771 nan 8.150 nan 0.000 0.494 461 G N -0.420 108.365 108.800 -0.024 0.000 2.226 461 G HA2 -0.118 3.842 3.960 0.000 0.000 0.176 461 G HA3 -0.118 3.842 3.960 0.000 0.000 0.176 461 G C -0.291 174.453 174.900 -0.259 0.000 1.042 461 G CA -0.085 44.932 45.100 -0.138 0.000 0.732 461 G HN 0.632 nan 8.290 nan 0.000 0.494 462 H N -0.246 118.819 119.070 -0.009 0.000 2.573 462 H HA 0.614 5.170 4.556 0.000 0.000 0.351 462 H C -0.059 175.268 175.328 -0.003 0.000 1.163 462 H CA -0.267 55.779 56.048 -0.003 0.000 1.205 462 H CB 1.689 31.452 29.762 0.002 0.000 1.605 462 H HN 0.398 nan 8.280 nan 0.000 0.525 463 Q N 0.361 120.230 119.800 0.115 0.000 2.365 463 Q HA 0.539 4.879 4.340 0.000 0.000 0.269 463 Q C -0.701 175.333 176.000 0.056 0.000 1.061 463 Q CA -1.058 54.782 55.803 0.062 0.000 0.816 463 Q CB 2.786 31.542 28.738 0.030 0.000 1.325 463 Q HN 0.719 nan 8.270 nan 0.000 0.446 464 A N 3.140 125.980 122.820 0.034 0.000 2.520 464 A HA 0.351 4.671 4.320 0.000 0.000 0.245 464 A C -2.077 175.517 177.584 0.017 0.000 1.072 464 A CA -0.744 51.305 52.037 0.019 0.000 0.761 464 A CB -0.578 18.427 19.000 0.008 0.000 1.004 464 A HN 0.425 nan 8.150 nan 0.000 0.499 465 P HA 0.304 nan 4.420 nan 0.000 0.271 465 P C -0.071 177.233 177.300 0.007 0.000 1.244 465 P CA -0.047 63.061 63.100 0.013 0.000 0.793 465 P CB 0.563 32.270 31.700 0.012 0.000 0.984 466 E N 0.000 120.204 120.200 0.007 0.000 2.725 466 E HA 0.000 4.350 4.350 0.000 0.000 0.291 466 E CA 0.000 56.403 56.400 0.004 0.000 0.976 466 E CB 0.000 29.703 29.700 0.004 0.000 0.812 466 E HN 0.000 nan 8.360 nan 0.000 0.440