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 2wke_1_B 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 0.000 176.431 176.300 0.218 0.000 0.893 1 R CA 0.000 56.178 56.100 0.129 0.000 0.921 1 R CB 0.000 30.356 30.300 0.094 0.000 0.687 2 L N 2.312 123.648 121.223 0.189 0.000 2.201 2 L HA 0.018 4.358 4.340 -0.000 0.000 0.212 2 L C 1.244 178.160 176.870 0.077 0.000 1.105 2 L CA 2.160 57.084 54.840 0.140 0.000 0.775 2 L CB -0.204 41.919 42.059 0.105 0.000 0.913 2 L HN 0.400 nan 8.230 nan 0.000 0.440 3 T N -1.696 112.902 114.554 0.073 0.000 2.821 3 T HA -0.227 4.123 4.350 -0.000 0.000 0.267 3 T C 1.598 176.333 174.700 0.059 0.000 1.046 3 T CA 1.204 63.336 62.100 0.054 0.000 1.139 3 T CB -0.089 68.805 68.868 0.042 0.000 0.871 3 T HN 0.345 nan 8.240 nan 0.000 0.454 4 E N 0.564 120.806 120.200 0.071 0.000 2.058 4 E HA -0.127 4.223 4.350 -0.000 0.000 0.194 4 E C 2.049 178.684 176.600 0.058 0.000 0.997 4 E CA 0.776 57.217 56.400 0.068 0.000 0.801 4 E CB -0.229 29.521 29.700 0.083 0.000 0.746 4 E HN 0.240 nan 8.360 nan 0.000 0.450 5 L N 1.198 122.456 121.223 0.058 0.000 2.042 5 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 5 L C 2.201 179.073 176.870 0.003 0.000 1.076 5 L CA 1.773 56.591 54.840 -0.036 0.000 0.749 5 L CB -0.272 41.629 42.059 -0.263 0.000 0.893 5 L HN 0.043 nan 8.230 nan 0.000 0.432 6 R N -0.337 120.216 120.500 0.090 0.000 2.066 6 R HA -0.173 4.166 4.340 -0.000 0.000 0.232 6 R C 2.102 178.514 176.300 0.186 0.000 1.131 6 R CA 1.605 57.845 56.100 0.234 0.000 0.955 6 R CB -0.499 29.885 30.300 0.140 0.000 0.851 6 R HN 0.683 nan 8.270 nan 0.000 0.432 7 E N 0.975 121.229 120.200 0.090 0.000 2.153 7 E HA -0.190 4.160 4.350 -0.000 0.000 0.194 7 E C 0.832 177.454 176.600 0.037 0.000 0.988 7 E CA 1.482 57.919 56.400 0.062 0.000 0.811 7 E CB -0.108 29.616 29.700 0.041 0.000 0.746 7 E HN 0.222 nan 8.360 nan 0.000 0.466 8 D N 1.427 121.834 120.400 0.012 0.000 2.097 8 D HA -0.070 4.570 4.640 -0.000 0.000 0.197 8 D C 2.170 178.430 176.300 -0.067 0.000 0.984 8 D CA 1.090 55.075 54.000 -0.024 0.000 0.826 8 D CB -0.220 40.562 40.800 -0.030 0.000 0.973 8 D HN 0.295 nan 8.370 nan 0.000 0.460 9 I N 1.049 121.541 120.570 -0.130 0.000 2.226 9 I HA -0.237 3.933 4.170 -0.000 0.000 0.245 9 I C 1.760 177.807 176.117 -0.117 0.000 1.100 9 I CA 1.004 62.139 61.300 -0.276 0.000 1.374 9 I CB -0.282 37.256 38.000 -0.769 0.000 1.057 9 I HN -0.110 nan 8.210 nan 0.000 0.413 10 D N 1.476 121.909 120.400 0.055 0.000 2.103 10 D HA -0.207 4.432 4.640 -0.000 0.000 0.190 10 D C 2.295 178.615 176.300 0.033 0.000 0.997 10 D CA 1.918 55.981 54.000 0.106 0.000 0.833 10 D CB -0.351 40.520 40.800 0.117 0.000 0.961 10 D HN 0.344 nan 8.370 nan 0.000 0.447 11 A N 0.520 123.348 122.820 0.013 0.000 1.892 11 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 11 A C 2.444 180.017 177.584 -0.019 0.000 1.188 11 A CA 1.402 53.438 52.037 -0.002 0.000 0.631 11 A CB -0.918 18.078 19.000 -0.005 0.000 0.822 11 A HN 0.262 nan 8.150 nan 0.000 0.447 12 I N -0.519 120.025 120.570 -0.043 0.000 2.208 12 I HA -0.275 3.895 4.170 -0.000 0.000 0.245 12 I C 2.325 178.413 176.117 -0.049 0.000 1.097 12 I CA 1.184 62.449 61.300 -0.059 0.000 1.363 12 I CB -0.276 37.666 38.000 -0.096 0.000 1.051 12 I HN 0.293 nan 8.210 nan 0.000 0.413 13 L N 0.051 121.251 121.223 -0.039 0.000 2.201 13 L HA -0.121 4.219 4.340 -0.000 0.000 0.212 13 L C 1.284 178.152 176.870 -0.004 0.000 1.105 13 L CA 0.702 55.530 54.840 -0.019 0.000 0.775 13 L CB -0.375 41.691 42.059 0.012 0.000 0.913 13 L HN 0.159 nan 8.230 nan 0.000 0.440 14 E N 1.324 121.523 120.200 -0.000 0.000 2.975 14 E HA -0.033 4.316 4.350 -0.000 0.000 0.301 14 E C -0.390 176.207 176.600 -0.006 0.000 1.554 14 E CA 0.222 56.623 56.400 0.002 0.000 1.716 14 E CB -0.779 28.924 29.700 0.006 0.000 1.365 14 E HN 0.268 nan 8.360 nan 0.000 0.469 15 D N 0.845 121.237 120.400 -0.012 0.000 2.168 15 D HA 0.128 4.768 4.640 -0.000 0.000 0.246 15 D C -1.707 174.587 176.300 -0.010 0.000 1.050 15 D CA -2.183 51.807 54.000 -0.017 0.000 0.857 15 D CB 2.067 42.849 40.800 -0.031 0.000 1.169 15 D HN -0.123 nan 8.370 nan 0.000 0.453 16 P HA -0.079 nan 4.420 nan 0.000 0.223 16 P C 0.749 178.051 177.300 0.003 0.000 1.144 16 P CA 0.662 63.762 63.100 -0.000 0.000 0.783 16 P CB 0.135 31.834 31.700 -0.001 0.000 0.771 17 A N -1.158 121.657 122.820 -0.008 0.000 2.169 17 A HA 0.024 4.344 4.320 -0.000 0.000 0.212 17 A C 1.664 179.247 177.584 -0.002 0.000 1.153 17 A CA 0.738 52.769 52.037 -0.010 0.000 0.756 17 A CB -0.748 18.227 19.000 -0.041 0.000 0.813 17 A HN 0.074 nan 8.150 nan 0.000 0.471 18 L N -0.184 121.039 121.223 -0.000 0.000 2.769 18 L HA 0.302 4.642 4.340 -0.000 0.000 0.240 18 L C 0.221 177.115 176.870 0.041 0.000 1.163 18 L CA 0.014 54.865 54.840 0.018 0.000 0.962 18 L CB -0.613 41.444 42.059 -0.003 0.000 1.258 18 L HN 0.271 nan 8.230 nan 0.000 0.513 19 E N -0.124 120.099 120.200 0.038 0.000 2.351 19 E HA 0.376 4.726 4.350 -0.000 0.000 0.266 19 E C 1.340 177.965 176.600 0.042 0.000 1.031 19 E CA 0.961 57.381 56.400 0.033 0.000 0.911 19 E CB 0.167 29.882 29.700 0.026 0.000 0.986 19 E HN 0.362 nan 8.360 nan 0.000 0.446 20 G N 2.513 111.334 108.800 0.034 0.000 2.168 20 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.263 20 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.263 20 G C 0.366 175.290 174.900 0.041 0.000 0.977 20 G CA 0.264 45.383 45.100 0.032 0.000 0.659 20 G HN 0.778 nan 8.290 nan 0.000 0.533 21 A N -1.075 121.780 122.820 0.058 0.000 2.248 21 A HA 0.887 5.206 4.320 -0.000 0.000 0.316 21 A C 0.149 177.770 177.584 0.061 0.000 1.101 21 A CA 0.089 52.172 52.037 0.076 0.000 0.875 21 A CB 1.520 20.601 19.000 0.136 0.000 1.207 21 A HN 1.250 nan 8.150 nan 0.000 0.504 22 V N 0.719 120.673 119.914 0.068 0.000 2.409 22 V HA 0.544 4.664 4.120 -0.000 0.000 0.291 22 V C -0.126 176.009 176.094 0.069 0.000 1.020 22 V CA -0.426 61.909 62.300 0.057 0.000 0.848 22 V CB 1.097 32.947 31.823 0.045 0.000 0.990 22 V HN 0.717 nan 8.190 nan 0.000 0.430 23 S N 2.875 118.612 115.700 0.061 0.000 2.498 23 S HA 0.688 5.158 4.470 -0.000 0.000 0.317 23 S C 0.382 175.024 174.600 0.069 0.000 1.090 23 S CA -0.520 57.717 58.200 0.062 0.000 1.089 23 S CB 1.716 64.945 63.200 0.049 0.000 0.997 23 S HN 1.095 nan 8.310 nan 0.000 0.470 24 G N 1.595 110.437 108.800 0.071 0.000 2.320 24 G HA2 0.545 4.505 3.960 -0.000 0.000 0.300 24 G HA3 0.545 4.505 3.960 -0.000 0.000 0.300 24 G C -0.898 174.062 174.900 0.099 0.000 1.126 24 G CA -0.404 44.744 45.100 0.079 0.000 0.896 24 G HN 0.594 nan 8.290 nan 0.000 0.436 25 V N 3.545 123.539 119.914 0.133 0.000 2.462 25 V HA 0.363 4.482 4.120 -0.000 0.000 0.288 25 V C -0.398 175.834 176.094 0.229 0.000 1.020 25 V CA -0.628 61.771 62.300 0.166 0.000 0.857 25 V CB 1.483 33.398 31.823 0.153 0.000 1.013 25 V HN 0.565 nan 8.190 nan 0.000 0.431 26 V N 5.206 125.231 119.914 0.185 0.000 2.604 26 V HA 0.680 4.800 4.120 -0.000 0.000 0.305 26 V C -0.437 175.769 176.094 0.187 0.000 1.043 26 V CA -0.700 61.709 62.300 0.180 0.000 0.888 26 V CB 2.322 34.214 31.823 0.115 0.000 0.995 26 V HN 0.548 nan 8.190 nan 0.000 0.429 27 V N 4.580 124.604 119.914 0.183 0.000 2.577 27 V HA 0.603 4.723 4.120 -0.000 0.000 0.303 27 V C -0.520 175.647 176.094 0.121 0.000 1.042 27 V CA -0.570 61.827 62.300 0.161 0.000 0.872 27 V CB 2.032 33.915 31.823 0.100 0.000 0.998 27 V HN 0.597 nan 8.190 nan 0.000 0.423 28 V N 2.694 122.680 119.914 0.120 0.000 2.680 28 V HA 0.462 4.581 4.120 -0.000 0.000 0.309 28 V C -0.659 175.507 176.094 0.119 0.000 1.052 28 V CA -0.592 61.769 62.300 0.101 0.000 0.908 28 V CB 2.314 34.188 31.823 0.085 0.000 1.001 28 V HN 0.923 nan 8.190 nan 0.000 0.431 29 D N 2.484 122.950 120.400 0.110 0.000 2.339 29 D HA 0.121 4.761 4.640 -0.000 0.000 0.241 29 D C 1.070 177.434 176.300 0.105 0.000 1.183 29 D CA 0.278 54.351 54.000 0.122 0.000 0.859 29 D CB 1.858 42.730 40.800 0.120 0.000 1.067 29 D HN 0.598 nan 8.370 nan 0.000 0.484 30 T N 2.404 117.029 114.554 0.119 0.000 2.881 30 T HA -0.091 4.259 4.350 -0.000 0.000 0.270 30 T C 1.556 176.297 174.700 0.069 0.000 1.068 30 T CA 1.589 63.750 62.100 0.102 0.000 1.131 30 T CB 0.140 69.086 68.868 0.130 0.000 0.871 30 T HN 0.521 nan 8.240 nan 0.000 0.479 31 A N 0.420 123.281 122.820 0.068 0.000 2.021 31 A HA 0.055 4.375 4.320 -0.000 0.000 0.216 31 A C 2.376 179.985 177.584 0.042 0.000 1.163 31 A CA 1.682 53.748 52.037 0.047 0.000 0.676 31 A CB -0.385 18.642 19.000 0.045 0.000 0.818 31 A HN 0.623 nan 8.150 nan 0.000 0.453 32 T N -5.668 108.917 114.554 0.052 0.000 2.990 32 T HA 0.413 4.762 4.350 -0.000 0.000 0.250 32 T C 1.480 176.205 174.700 0.042 0.000 1.041 32 T CA 1.112 63.239 62.100 0.045 0.000 1.010 32 T CB 0.287 69.187 68.868 0.052 0.000 1.003 32 T HN 1.561 nan 8.240 nan 0.000 0.499 33 G N 1.604 110.434 108.800 0.049 0.000 2.189 33 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.267 33 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.267 33 G C -0.132 174.795 174.900 0.046 0.000 0.975 33 G CA 0.382 45.509 45.100 0.045 0.000 0.644 33 G HN 0.805 nan 8.290 nan 0.000 0.537 34 E N 0.739 120.971 120.200 0.053 0.000 2.414 34 E HA 0.225 4.575 4.350 -0.000 0.000 0.263 34 E C 0.147 176.778 176.600 0.052 0.000 1.000 34 E CA -0.182 56.249 56.400 0.051 0.000 0.914 34 E CB 0.216 29.954 29.700 0.062 0.000 0.948 34 E HN 0.406 nan 8.360 nan 0.000 0.444 35 E N 4.919 125.143 120.200 0.040 0.000 1.941 35 E HA 0.027 4.376 4.350 -0.000 0.000 0.275 35 E C 0.766 177.386 176.600 0.033 0.000 1.113 35 E CA -0.172 56.250 56.400 0.037 0.000 0.878 35 E CB 0.496 30.208 29.700 0.020 0.000 1.070 35 E HN 0.606 nan 8.360 nan 0.000 0.399 36 L N 3.212 124.462 121.223 0.045 0.000 2.027 36 L HA -0.083 4.257 4.340 -0.000 0.000 0.206 36 L C 0.621 177.534 176.870 0.071 0.000 1.074 36 L CA 1.200 56.053 54.840 0.023 0.000 0.745 36 L CB -0.053 41.983 42.059 -0.039 0.000 0.898 36 L HN 0.481 nan 8.230 nan 0.000 0.433 37 Y N -1.061 119.208 120.300 -0.051 0.000 2.479 37 Y HA 0.449 4.999 4.550 -0.000 0.000 0.338 37 Y C -0.785 175.107 175.900 -0.013 0.000 1.055 37 Y CA -0.864 57.210 58.100 -0.043 0.000 1.023 37 Y CB 2.015 40.436 38.460 -0.065 0.000 1.287 37 Y HN -0.238 nan 8.280 nan 0.000 0.447 38 S N 6.230 121.761 115.700 -0.280 0.000 2.677 38 S HA 0.656 5.125 4.470 -0.000 0.000 0.283 38 S C -1.809 172.645 174.600 -0.243 0.000 1.159 38 S CA -0.683 57.443 58.200 -0.125 0.000 1.001 38 S CB 0.843 64.005 63.200 -0.064 0.000 1.032 38 S HN 0.817 nan 8.310 nan 0.000 0.487 39 R N 3.388 123.856 120.500 -0.053 0.000 2.515 39 R HA 0.319 4.659 4.340 -0.000 0.000 0.291 39 R C -1.079 175.245 176.300 0.040 0.000 1.046 39 R CA -0.290 55.795 56.100 -0.025 0.000 0.914 39 R CB 0.669 30.999 30.300 0.050 0.000 1.191 39 R HN 0.752 nan 8.270 nan 0.000 0.435 40 D N 3.036 123.446 120.400 0.016 0.000 2.737 40 D HA -0.169 4.471 4.640 -0.000 0.000 0.233 40 D C 0.818 177.140 176.300 0.037 0.000 1.155 40 D CA 1.402 55.418 54.000 0.027 0.000 0.667 40 D CB -0.735 40.087 40.800 0.036 0.000 1.060 40 D HN 0.925 nan 8.370 nan 0.000 0.427 41 G N 0.017 108.837 108.800 0.032 0.000 2.509 41 G HA2 0.033 3.993 3.960 -0.000 0.000 0.218 41 G HA3 0.033 3.993 3.960 -0.000 0.000 0.218 41 G C 1.459 176.381 174.900 0.037 0.000 1.124 41 G CA 0.818 45.943 45.100 0.043 0.000 0.776 41 G HN 0.461 nan 8.290 nan 0.000 0.547 42 G N -0.419 108.396 108.800 0.025 0.000 3.126 42 G HA2 0.212 4.172 3.960 -0.000 0.000 0.224 42 G HA3 0.212 4.172 3.960 -0.000 0.000 0.224 42 G C 0.354 175.265 174.900 0.018 0.000 1.142 42 G CA -0.306 44.806 45.100 0.021 0.000 0.759 42 G HN 0.250 nan 8.290 nan 0.000 0.550 43 E N 1.340 121.553 120.200 0.022 0.000 2.316 43 E HA 0.126 4.476 4.350 -0.000 0.000 0.275 43 E C -0.071 176.541 176.600 0.019 0.000 1.029 43 E CA 0.071 56.483 56.400 0.020 0.000 0.871 43 E CB 1.061 30.776 29.700 0.024 0.000 1.022 43 E HN 0.370 nan 8.360 nan 0.000 0.418 44 Q N 2.587 122.393 119.800 0.011 0.000 2.296 44 Q HA 0.360 4.700 4.340 -0.000 0.000 0.262 44 Q C -0.272 175.733 176.000 0.009 0.000 0.981 44 Q CA 0.197 56.003 55.803 0.004 0.000 0.905 44 Q CB 0.749 29.483 28.738 -0.006 0.000 1.186 44 Q HN 0.314 nan 8.270 nan 0.000 0.399 45 L N 2.592 123.821 121.223 0.010 0.000 2.424 45 L HA 0.405 4.745 4.340 -0.000 0.000 0.258 45 L C -1.017 175.860 176.870 0.012 0.000 0.995 45 L CA -1.175 53.676 54.840 0.018 0.000 0.821 45 L CB 1.666 43.746 42.059 0.035 0.000 1.383 45 L HN 0.433 nan 8.230 nan 0.000 0.410 46 L N 3.973 125.203 121.223 0.012 0.000 2.410 46 L HA 0.202 4.541 4.340 -0.000 0.000 0.273 46 L C -1.531 175.351 176.870 0.020 0.000 1.144 46 L CA -0.528 54.315 54.840 0.005 0.000 0.863 46 L CB 0.283 42.340 42.059 -0.004 0.000 1.140 46 L HN 0.408 nan 8.230 nan 0.000 0.463 47 P HA 0.141 nan 4.420 nan 0.000 0.259 47 P C 0.623 177.940 177.300 0.030 0.000 1.233 47 P CA 0.735 63.862 63.100 0.045 0.000 0.827 47 P CB 0.661 32.409 31.700 0.080 0.000 1.154 48 A N 0.918 123.740 122.820 0.003 0.000 5.684 48 A HA -0.282 4.038 4.320 -0.000 0.000 0.306 48 A C 1.759 179.343 177.584 0.000 0.000 1.885 48 A CA 1.831 53.854 52.037 -0.023 0.000 0.721 48 A CB -2.417 16.559 19.000 -0.040 0.000 1.295 48 A HN 0.191 nan 8.150 nan 0.000 0.386 49 S N 0.745 116.432 115.700 -0.021 0.000 2.584 49 S HA -0.077 4.393 4.470 -0.000 0.000 0.240 49 S C 1.298 175.897 174.600 -0.001 0.000 0.975 49 S CA 1.191 59.384 58.200 -0.012 0.000 0.949 49 S CB -0.659 62.512 63.200 -0.049 0.000 0.761 49 S HN 0.612 nan 8.310 nan 0.000 0.536 50 N N 1.223 119.936 118.700 0.021 0.000 2.512 50 N HA 0.098 4.838 4.740 -0.000 0.000 0.183 50 N C 1.378 176.984 175.510 0.160 0.000 1.073 50 N CA 0.273 53.346 53.050 0.038 0.000 0.911 50 N CB -0.288 38.226 38.487 0.045 0.000 0.964 50 N HN 0.283 nan 8.380 nan 0.000 0.447 51 M N 0.998 120.715 119.600 0.196 0.000 2.202 51 M HA -0.091 4.388 4.480 -0.000 0.000 0.262 51 M C 1.335 177.835 176.300 0.333 0.000 1.063 51 M CA 1.500 56.991 55.300 0.318 0.000 1.097 51 M CB -0.013 32.700 32.600 0.187 0.000 1.382 51 M HN -0.069 nan 8.290 nan 0.000 0.413 52 K N -0.322 120.191 120.400 0.189 0.000 2.286 52 K HA -0.168 4.152 4.320 -0.000 0.000 0.203 52 K C 1.800 178.469 176.600 0.114 0.000 1.045 52 K CA 1.285 57.664 56.287 0.154 0.000 0.935 52 K CB -0.527 31.931 32.500 -0.070 0.000 0.737 52 K HN 0.414 nan 8.250 nan 0.000 0.460 53 L N -0.461 120.794 121.223 0.054 0.000 2.093 53 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 53 L C 2.053 178.973 176.870 0.083 0.000 1.085 53 L CA 1.234 56.086 54.840 0.020 0.000 0.755 53 L CB -0.332 41.619 42.059 -0.180 0.000 0.904 53 L HN 0.059 nan 8.230 nan 0.000 0.435 54 F N -0.544 119.536 119.950 0.215 0.000 2.163 54 F HA -0.172 4.355 4.527 -0.000 0.000 0.297 54 F C 2.634 178.537 175.800 0.171 0.000 1.094 54 F CA 1.464 59.566 58.000 0.170 0.000 1.290 54 F CB -1.112 37.959 39.000 0.117 0.000 1.017 54 F HN -0.058 nan 8.300 nan 0.000 0.483 55 T N 0.071 114.850 114.554 0.376 0.000 2.708 55 T HA -0.213 4.137 4.350 -0.000 0.000 0.266 55 T C 2.298 177.173 174.700 0.291 0.000 1.037 55 T CA 1.421 63.708 62.100 0.313 0.000 1.146 55 T CB -0.710 68.376 68.868 0.363 0.000 0.865 55 T HN 0.297 nan 8.240 nan 0.000 0.435 56 A N 1.506 124.551 122.820 0.374 0.000 1.877 56 A HA 0.159 4.479 4.320 -0.000 0.000 0.216 56 A C 2.670 180.346 177.584 0.153 0.000 1.186 56 A CA 1.886 54.150 52.037 0.378 0.000 0.620 56 A CB -1.196 18.049 19.000 0.407 0.000 0.822 56 A HN 0.508 nan 8.150 nan 0.000 0.443 57 A N -0.220 122.682 122.820 0.137 0.000 1.902 57 A HA 0.150 4.470 4.320 -0.000 0.000 0.217 57 A C 2.484 179.951 177.584 -0.194 0.000 1.181 57 A CA 2.138 54.002 52.037 -0.288 0.000 0.623 57 A CB -0.962 17.866 19.000 -0.287 0.000 0.818 57 A HN 1.068 nan 8.150 nan 0.000 0.443 58 A N -0.254 122.563 122.820 -0.004 0.000 1.930 58 A HA 0.219 4.538 4.320 -0.000 0.000 0.217 58 A C 2.478 180.040 177.584 -0.036 0.000 1.175 58 A CA 1.870 53.918 52.037 0.019 0.000 0.627 58 A CB -0.920 18.131 19.000 0.085 0.000 0.815 58 A HN 1.009 nan 8.150 nan 0.000 0.443 59 A N -0.179 122.621 122.820 -0.032 0.000 1.877 59 A HA -0.054 4.265 4.320 -0.000 0.000 0.216 59 A C 2.138 179.635 177.584 -0.145 0.000 1.186 59 A CA 1.544 53.552 52.037 -0.049 0.000 0.620 59 A CB -0.592 18.423 19.000 0.024 0.000 0.822 59 A HN 0.462 nan 8.150 nan 0.000 0.443 60 L N -1.171 119.863 121.223 -0.314 0.000 2.156 60 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 60 L C 2.580 179.223 176.870 -0.377 0.000 1.095 60 L CA 1.452 55.987 54.840 -0.509 0.000 0.770 60 L CB -0.291 41.037 42.059 -1.219 0.000 0.914 60 L HN 0.427 nan 8.230 nan 0.000 0.439 61 E N -0.147 119.903 120.200 -0.249 0.000 2.046 61 E HA -0.140 4.210 4.350 -0.000 0.000 0.190 61 E C 2.092 178.699 176.600 0.012 0.000 0.982 61 E CA 1.196 57.613 56.400 0.029 0.000 0.800 61 E CB 0.026 29.782 29.700 0.092 0.000 0.756 61 E HN 0.153 nan 8.360 nan 0.000 0.449 62 V N 0.218 120.112 119.914 -0.034 0.000 2.302 62 V HA -0.133 3.987 4.120 -0.000 0.000 0.243 62 V C 2.242 178.290 176.094 -0.075 0.000 1.036 62 V CA 1.466 63.744 62.300 -0.036 0.000 1.020 62 V CB -0.340 31.460 31.823 -0.038 0.000 0.657 62 V HN 0.259 nan 8.190 nan 0.000 0.453 63 L N -0.231 120.908 121.223 -0.141 0.000 2.307 63 L HA 0.440 4.780 4.340 -0.000 0.000 0.211 63 L C 1.149 177.954 176.870 -0.108 0.000 1.099 63 L CA 0.758 55.434 54.840 -0.274 0.000 0.816 63 L CB -0.628 41.130 42.059 -0.501 0.000 0.952 63 L HN 0.529 nan 8.230 nan 0.000 0.455 64 G N -0.554 108.213 108.800 -0.055 0.000 2.712 64 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.686 64 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.686 64 G C 0.454 175.362 174.900 0.013 0.000 1.321 64 G CA -0.337 44.770 45.100 0.011 0.000 0.813 64 G HN 0.175 nan 8.290 nan 0.000 0.599 65 A N 0.088 122.932 122.820 0.041 0.000 2.066 65 A HA 0.201 4.521 4.320 -0.000 0.000 0.218 65 A C 1.912 179.531 177.584 0.059 0.000 1.157 65 A CA 2.149 54.221 52.037 0.058 0.000 0.670 65 A CB -0.268 18.802 19.000 0.116 0.000 0.804 65 A HN 1.342 nan 8.150 nan 0.000 0.453 66 D N -1.581 118.848 120.400 0.049 0.000 2.340 66 D HA 0.021 4.660 4.640 -0.000 0.000 0.220 66 D C 0.536 176.818 176.300 -0.030 0.000 1.039 66 D CA -0.155 53.853 54.000 0.013 0.000 0.866 66 D CB -0.920 39.885 40.800 0.008 0.000 0.913 66 D HN 0.543 nan 8.370 nan 0.000 0.523 67 H N 0.786 119.777 119.070 -0.130 0.000 2.848 67 H HA 0.328 4.884 4.556 -0.000 0.000 0.341 67 H C 0.067 175.162 175.328 -0.389 0.000 1.060 67 H CA 0.089 55.977 56.048 -0.266 0.000 1.444 67 H CB 0.619 30.198 29.762 -0.305 0.000 1.446 67 H HN 0.082 nan 8.280 nan 0.000 0.583 68 S N 3.531 118.697 115.700 -0.890 0.000 2.634 68 S HA 0.595 5.065 4.470 -0.000 0.000 0.296 68 S C -1.163 172.842 174.600 -0.992 0.000 1.104 68 S CA -0.976 56.799 58.200 -0.708 0.000 0.920 68 S CB 1.413 64.381 63.200 -0.385 0.000 1.111 68 S HN 0.403 nan 8.310 nan 0.000 0.493 69 F N 0.271 120.077 119.950 -0.240 0.000 2.482 69 F HA 0.702 5.229 4.527 -0.000 0.000 0.331 69 F C 0.882 176.543 175.800 -0.232 0.000 1.115 69 F CA -0.454 57.427 58.000 -0.198 0.000 0.955 69 F CB 2.207 41.139 39.000 -0.114 0.000 1.136 69 F HN 0.952 nan 8.300 nan 0.000 0.452 70 G N 0.923 109.660 108.800 -0.105 0.000 2.400 70 G HA2 0.623 4.583 3.960 -0.000 0.000 0.333 70 G HA3 0.623 4.583 3.960 -0.000 0.000 0.333 70 G C -1.219 173.584 174.900 -0.162 0.000 1.143 70 G CA -0.556 44.444 45.100 -0.167 0.000 0.914 70 G HN 0.516 nan 8.290 nan 0.000 0.480 71 T N 1.041 115.528 114.554 -0.111 0.000 2.886 71 T HA 0.595 4.945 4.350 -0.000 0.000 0.292 71 T C -0.567 174.073 174.700 -0.100 0.000 1.012 71 T CA -0.643 61.388 62.100 -0.115 0.000 0.982 71 T CB 1.865 70.688 68.868 -0.075 0.000 1.018 71 T HN 0.785 nan 8.240 nan 0.000 0.451 72 E N 0.669 120.798 120.200 -0.118 0.000 2.429 72 E HA 0.717 5.067 4.350 -0.000 0.000 0.276 72 E C -1.640 174.916 176.600 -0.074 0.000 0.953 72 E CA -1.135 55.215 56.400 -0.082 0.000 0.787 72 E CB 1.684 31.345 29.700 -0.065 0.000 1.307 72 E HN 0.257 nan 8.360 nan 0.000 0.458 73 V N 0.721 120.621 119.914 -0.024 0.000 2.384 73 V HA 0.683 4.803 4.120 -0.000 0.000 0.287 73 V C -0.398 175.771 176.094 0.126 0.000 1.020 73 V CA -0.411 61.917 62.300 0.047 0.000 0.850 73 V CB 0.881 32.758 31.823 0.089 0.000 0.987 73 V HN 0.822 nan 8.190 nan 0.000 0.436 74 A N 4.116 127.063 122.820 0.212 0.000 2.355 74 A HA 1.015 5.335 4.320 -0.000 0.000 0.324 74 A C -0.215 177.617 177.584 0.413 0.000 1.117 74 A CA -0.265 51.933 52.037 0.268 0.000 0.785 74 A CB 1.781 20.943 19.000 0.271 0.000 1.254 74 A HN 1.303 nan 8.150 nan 0.000 0.453 75 A N 0.355 123.336 122.820 0.268 0.000 2.469 75 A HA 0.670 4.990 4.320 -0.000 0.000 0.299 75 A C 0.644 178.009 177.584 -0.365 0.000 1.098 75 A CA 0.009 52.128 52.037 0.137 0.000 0.737 75 A CB 0.998 20.037 19.000 0.065 0.000 1.312 75 A HN 0.962 nan 8.150 nan 0.000 0.414 76 E N 0.307 119.896 120.200 -1.019 0.000 2.085 76 E HA -0.062 4.288 4.350 -0.000 0.000 0.194 76 E C 0.281 176.513 176.600 -0.613 0.000 0.994 76 E CA 1.638 57.170 56.400 -1.447 0.000 0.801 76 E CB 0.091 28.976 29.700 -1.358 0.000 0.743 76 E HN 0.632 nan 8.360 nan 0.000 0.453 77 S N -1.349 114.137 115.700 -0.356 0.000 2.697 77 S HA 0.647 5.117 4.470 -0.000 0.000 0.289 77 S C -0.905 173.625 174.600 -0.116 0.000 1.149 77 S CA -0.545 57.537 58.200 -0.197 0.000 0.850 77 S CB 1.699 64.806 63.200 -0.156 0.000 1.151 77 S HN 0.360 nan 8.310 nan 0.000 0.491 78 A N 2.438 125.213 122.820 -0.076 0.000 2.466 78 A HA 0.506 4.826 4.320 -0.000 0.000 0.238 78 A C -2.331 175.230 177.584 -0.038 0.000 1.074 78 A CA -0.919 51.092 52.037 -0.044 0.000 0.774 78 A CB -0.955 18.025 19.000 -0.034 0.000 1.015 78 A HN 0.528 nan 8.150 nan 0.000 0.498 79 P HA 0.036 nan 4.420 nan 0.000 0.263 79 P C 0.595 177.883 177.300 -0.020 0.000 1.175 79 P CA 0.764 63.854 63.100 -0.016 0.000 0.761 79 P CB 0.133 31.828 31.700 -0.008 0.000 0.794 80 G N 2.796 111.584 108.800 -0.019 0.000 2.553 80 G HA2 0.040 4.000 3.960 -0.000 0.000 0.278 80 G HA3 0.040 4.000 3.960 -0.000 0.000 0.278 80 G C 1.056 175.948 174.900 -0.014 0.000 1.349 80 G CA -0.626 44.464 45.100 -0.018 0.000 1.037 80 G HN 0.382 nan 8.290 nan 0.000 0.508 81 R N -0.897 119.595 120.500 -0.012 0.000 2.211 81 R HA -0.082 4.258 4.340 -0.000 0.000 0.240 81 R C 1.939 178.234 176.300 -0.009 0.000 1.144 81 R CA 1.147 57.241 56.100 -0.010 0.000 0.992 81 R CB -0.068 30.226 30.300 -0.009 0.000 0.869 81 R HN 0.349 nan 8.270 nan 0.000 0.462 82 R N -0.606 119.889 120.500 -0.009 0.000 2.468 82 R HA 0.148 4.488 4.340 -0.000 0.000 0.280 82 R C 0.515 176.810 176.300 -0.009 0.000 0.963 82 R CA 0.431 56.526 56.100 -0.009 0.000 1.083 82 R CB 1.154 31.450 30.300 -0.008 0.000 1.200 82 R HN 0.276 nan 8.270 nan 0.000 0.541 83 G N 2.723 111.517 108.800 -0.009 0.000 2.221 83 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.265 83 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.265 83 G C -0.170 174.726 174.900 -0.008 0.000 1.041 83 G CA 0.516 45.611 45.100 -0.009 0.000 0.807 83 G HN 0.455 nan 8.290 nan 0.000 0.502 84 E N -0.061 120.135 120.200 -0.007 0.000 2.179 84 E HA 0.658 5.008 4.350 -0.000 0.000 0.275 84 E C 0.243 176.842 176.600 -0.001 0.000 0.945 84 E CA -0.386 56.012 56.400 -0.004 0.000 0.792 84 E CB 2.154 31.852 29.700 -0.003 0.000 1.125 84 E HN 0.986 nan 8.360 nan 0.000 0.397 85 V N 0.474 120.394 119.914 0.010 0.000 3.103 85 V HA 0.403 4.523 4.120 -0.000 0.000 0.318 85 V C 0.635 176.753 176.094 0.039 0.000 1.114 85 V CA -0.739 61.573 62.300 0.021 0.000 1.020 85 V CB 1.534 33.381 31.823 0.040 0.000 1.085 85 V HN 0.755 nan 8.190 nan 0.000 0.446 86 Q N 0.845 120.683 119.800 0.064 0.000 1.738 86 Q HA 0.242 4.582 4.340 -0.000 0.000 0.471 86 Q C 0.140 176.222 176.000 0.137 0.000 0.931 86 Q CA 1.043 56.903 55.803 0.095 0.000 0.869 86 Q CB -0.226 28.581 28.738 0.115 0.000 1.561 86 Q HN 0.914 nan 8.270 nan 0.000 0.400 87 D N 0.462 121.012 120.400 0.250 0.000 2.339 87 D HA 0.261 4.901 4.640 -0.000 0.000 0.245 87 D C -0.698 175.817 176.300 0.358 0.000 1.115 87 D CA 0.019 54.196 54.000 0.295 0.000 0.917 87 D CB 0.792 41.885 40.800 0.489 0.000 1.192 87 D HN 0.250 nan 8.370 nan 0.000 0.428 88 L N 2.094 123.436 121.223 0.199 0.000 2.436 88 L HA 0.331 4.671 4.340 -0.000 0.000 0.268 88 L C -1.653 175.300 176.870 0.138 0.000 0.974 88 L CA -0.701 54.296 54.840 0.261 0.000 0.826 88 L CB 1.330 43.491 42.059 0.171 0.000 1.291 88 L HN 0.372 nan 8.230 nan 0.000 0.406 89 Y N 4.101 124.565 120.300 0.273 0.000 2.335 89 Y HA 0.394 4.943 4.550 -0.000 0.000 0.338 89 Y C -0.033 175.932 175.900 0.109 0.000 0.977 89 Y CA -0.671 57.540 58.100 0.186 0.000 1.114 89 Y CB 2.050 40.563 38.460 0.089 0.000 1.182 89 Y HN 0.418 nan 8.280 nan 0.000 0.463 90 L N 4.998 126.311 121.223 0.149 0.000 2.265 90 L HA 0.652 4.992 4.340 -0.000 0.000 0.288 90 L C -1.109 175.753 176.870 -0.014 0.000 1.058 90 L CA -0.423 54.382 54.840 -0.058 0.000 0.809 90 L CB 0.621 42.525 42.059 -0.259 0.000 1.179 90 L HN 0.407 nan 8.230 nan 0.000 0.429 91 V N 5.237 125.117 119.914 -0.056 0.000 2.378 91 V HA 0.664 4.784 4.120 -0.000 0.000 0.288 91 V C 0.613 176.627 176.094 -0.132 0.000 1.016 91 V CA -0.405 61.859 62.300 -0.059 0.000 0.840 91 V CB 1.112 32.901 31.823 -0.056 0.000 0.994 91 V HN 0.913 nan 8.190 nan 0.000 0.431 92 G N 3.738 112.456 108.800 -0.136 0.000 2.343 92 G HA2 0.568 4.528 3.960 -0.000 0.000 0.319 92 G HA3 0.568 4.528 3.960 -0.000 0.000 0.319 92 G C 0.028 174.752 174.900 -0.293 0.000 1.126 92 G CA -0.665 44.320 45.100 -0.192 0.000 0.889 92 G HN 0.666 nan 8.290 nan 0.000 0.457 93 R N 1.957 122.210 120.500 -0.413 0.000 2.997 93 R HA 0.322 4.662 4.340 -0.000 0.000 0.358 93 R C 0.945 177.009 176.300 -0.392 0.000 1.191 93 R CA 0.083 55.735 56.100 -0.746 0.000 1.113 93 R CB 0.929 30.458 30.300 -1.285 0.000 1.433 93 R HN 0.973 nan 8.270 nan 0.000 0.584 94 G N 1.394 109.969 108.800 -0.375 0.000 2.171 94 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.238 94 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.238 94 G C -0.355 174.334 174.900 -0.353 0.000 1.039 94 G CA -0.011 44.882 45.100 -0.345 0.000 0.759 94 G HN 0.453 nan 8.290 nan 0.000 0.501 95 D N 0.677 120.938 120.400 -0.231 0.000 2.358 95 D HA 0.321 4.960 4.640 -0.000 0.000 0.258 95 D C -0.292 175.842 176.300 -0.276 0.000 1.223 95 D CA -1.634 52.224 54.000 -0.236 0.000 0.886 95 D CB 1.178 41.948 40.800 -0.052 0.000 1.120 95 D HN 0.218 nan 8.370 nan 0.000 0.482 96 P HA 0.024 nan 4.420 nan 0.000 0.249 96 P C 0.413 177.586 177.300 -0.212 0.000 1.229 96 P CA 0.441 63.334 63.100 -0.345 0.000 0.788 96 P CB 0.135 31.403 31.700 -0.720 0.000 1.072 97 T N -4.315 110.095 114.554 -0.240 0.000 3.275 97 T HA 0.200 4.550 4.350 -0.000 0.000 0.298 97 T C 0.268 174.945 174.700 -0.039 0.000 0.988 97 T CA -0.388 61.521 62.100 -0.318 0.000 0.936 97 T CB -0.522 67.797 68.868 -0.915 0.000 1.159 97 T HN -0.054 nan 8.240 nan 0.000 0.519 98 L N 4.009 125.244 121.223 0.020 0.000 2.500 98 L HA 0.394 4.734 4.340 -0.000 0.000 0.272 98 L C 0.435 177.350 176.870 0.076 0.000 1.149 98 L CA -0.048 54.816 54.840 0.039 0.000 0.897 98 L CB 0.525 42.585 42.059 0.002 0.000 1.178 98 L HN 0.591 nan 8.230 nan 0.000 0.473 99 S N 3.266 119.002 115.700 0.060 0.000 2.722 99 S HA 0.512 4.982 4.470 -0.000 0.000 0.292 99 S C 0.937 175.546 174.600 0.016 0.000 1.135 99 S CA -0.223 58.020 58.200 0.071 0.000 1.003 99 S CB 1.794 65.051 63.200 0.095 0.000 1.067 99 S HN 0.676 nan 8.310 nan 0.000 0.546 100 A N 0.286 123.123 122.820 0.028 0.000 1.972 100 A HA -0.042 4.278 4.320 -0.000 0.000 0.219 100 A C 2.004 179.593 177.584 0.008 0.000 1.169 100 A CA 1.837 53.889 52.037 0.026 0.000 0.635 100 A CB -1.110 17.912 19.000 0.038 0.000 0.810 100 A HN 0.921 nan 8.150 nan 0.000 0.446 101 E N 0.929 121.126 120.200 -0.005 0.000 2.106 101 E HA -0.161 4.189 4.350 -0.000 0.000 0.192 101 E C 1.214 177.780 176.600 -0.056 0.000 0.984 101 E CA 1.592 57.982 56.400 -0.017 0.000 0.806 101 E CB -0.303 29.391 29.700 -0.010 0.000 0.750 101 E HN 0.553 nan 8.360 nan 0.000 0.458 102 D N -0.064 120.267 120.400 -0.115 0.000 2.178 102 D HA -0.104 4.536 4.640 -0.000 0.000 0.202 102 D C 2.003 178.193 176.300 -0.183 0.000 0.974 102 D CA 0.706 54.537 54.000 -0.281 0.000 0.841 102 D CB -0.077 40.423 40.800 -0.500 0.000 0.953 102 D HN 0.287 nan 8.370 nan 0.000 0.478 103 L N 0.544 121.722 121.223 -0.074 0.000 2.093 103 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 103 L C 2.163 179.112 176.870 0.133 0.000 1.085 103 L CA 1.001 55.862 54.840 0.036 0.000 0.755 103 L CB -0.285 41.831 42.059 0.095 0.000 0.904 103 L HN -0.060 nan 8.230 nan 0.000 0.435 104 D N 0.169 120.605 120.400 0.060 0.000 2.144 104 D HA -0.161 4.478 4.640 -0.000 0.000 0.200 104 D C 2.159 178.487 176.300 0.046 0.000 0.978 104 D CA 1.280 55.311 54.000 0.052 0.000 0.833 104 D CB 0.200 41.011 40.800 0.018 0.000 0.961 104 D HN 0.230 nan 8.370 nan 0.000 0.470 105 A N -0.032 122.797 122.820 0.015 0.000 1.930 105 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 105 A C 2.311 179.922 177.584 0.045 0.000 1.175 105 A CA 1.242 53.287 52.037 0.013 0.000 0.627 105 A CB -0.572 18.417 19.000 -0.019 0.000 0.815 105 A HN 0.299 nan 8.150 nan 0.000 0.443 106 M N -0.646 118.988 119.600 0.058 0.000 2.229 106 M HA -0.118 4.362 4.480 -0.000 0.000 0.264 106 M C 2.418 178.863 176.300 0.242 0.000 1.063 106 M CA 1.283 56.649 55.300 0.110 0.000 1.114 106 M CB -0.333 32.279 32.600 0.020 0.000 1.387 106 M HN 0.492 nan 8.290 nan 0.000 0.420 107 A N 0.113 123.115 122.820 0.303 0.000 2.014 107 A HA 0.095 4.415 4.320 -0.000 0.000 0.218 107 A C 2.298 179.915 177.584 0.054 0.000 1.163 107 A CA 1.492 53.630 52.037 0.168 0.000 0.652 107 A CB -0.598 18.403 19.000 0.001 0.000 0.808 107 A HN 0.474 nan 8.150 nan 0.000 0.449 108 A N -0.050 122.802 122.820 0.053 0.000 1.968 108 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 108 A C 1.870 179.474 177.584 0.034 0.000 1.169 108 A CA 1.364 53.417 52.037 0.027 0.000 0.638 108 A CB -0.351 18.662 19.000 0.021 0.000 0.812 108 A HN 0.604 nan 8.150 nan 0.000 0.446 109 E N -0.218 120.015 120.200 0.055 0.000 2.152 109 E HA -0.080 4.270 4.350 -0.000 0.000 0.192 109 E C 1.929 178.562 176.600 0.056 0.000 0.983 109 E CA 1.036 57.467 56.400 0.051 0.000 0.818 109 E CB -0.176 29.559 29.700 0.057 0.000 0.758 109 E HN 0.425 nan 8.360 nan 0.000 0.467 110 V N 1.640 121.602 119.914 0.079 0.000 2.295 110 V HA -0.274 3.846 4.120 -0.000 0.000 0.246 110 V C 2.420 178.532 176.094 0.030 0.000 1.049 110 V CA 1.897 64.240 62.300 0.072 0.000 1.024 110 V CB -0.785 31.101 31.823 0.104 0.000 0.648 110 V HN 0.290 nan 8.190 nan 0.000 0.447 111 A N 0.191 123.018 122.820 0.012 0.000 1.883 111 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 111 A C 2.405 179.991 177.584 0.003 0.000 1.186 111 A CA 2.291 54.326 52.037 -0.003 0.000 0.624 111 A CB -0.875 18.117 19.000 -0.013 0.000 0.822 111 A HN 0.599 nan 8.150 nan 0.000 0.444 112 A N 0.165 122.991 122.820 0.010 0.000 2.015 112 A HA -0.031 4.289 4.320 -0.000 0.000 0.219 112 A C 2.334 179.924 177.584 0.009 0.000 1.163 112 A CA 2.003 54.045 52.037 0.009 0.000 0.646 112 A CB -0.840 18.167 19.000 0.012 0.000 0.806 112 A HN 1.046 nan 8.150 nan 0.000 0.448 113 S N -1.854 113.855 115.700 0.014 0.000 2.561 113 S HA 0.345 4.814 4.470 -0.000 0.000 0.225 113 S C 1.314 175.919 174.600 0.007 0.000 0.977 113 S CA 1.052 59.259 58.200 0.013 0.000 0.926 113 S CB -0.319 62.894 63.200 0.021 0.000 0.769 113 S HN 1.895 nan 8.310 nan 0.000 0.533 114 G N -0.066 108.737 108.800 0.004 0.000 2.138 114 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.193 114 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.193 114 G C -0.157 174.742 174.900 -0.002 0.000 0.998 114 G CA -0.217 44.882 45.100 -0.001 0.000 0.668 114 G HN 0.620 nan 8.290 nan 0.000 0.516 115 V N 0.794 120.708 119.914 0.001 0.000 2.406 115 V HA 0.536 4.656 4.120 -0.000 0.000 0.272 115 V C 1.389 177.475 176.094 -0.013 0.000 1.043 115 V CA 0.388 62.687 62.300 -0.002 0.000 0.915 115 V CB 1.442 33.271 31.823 0.009 0.000 0.988 115 V HN 0.395 nan 8.190 nan 0.000 0.466 116 R N 2.438 122.928 120.500 -0.016 0.000 2.287 116 R HA 0.229 4.569 4.340 -0.000 0.000 0.197 116 R C -0.116 176.166 176.300 -0.030 0.000 0.900 116 R CA 0.457 56.544 56.100 -0.023 0.000 1.052 116 R CB 0.850 31.139 30.300 -0.019 0.000 1.117 116 R HN 0.747 nan 8.270 nan 0.000 0.568 117 T N 0.453 114.993 114.554 -0.024 0.000 3.032 117 T HA 0.309 4.659 4.350 -0.000 0.000 0.312 117 T C -1.308 173.381 174.700 -0.019 0.000 1.078 117 T CA -0.488 61.597 62.100 -0.026 0.000 1.028 117 T CB 2.572 71.429 68.868 -0.020 0.000 1.091 117 T HN -0.208 nan 8.240 nan 0.000 0.457 118 V N 4.327 124.224 119.914 -0.029 0.000 2.294 118 V HA 0.308 4.428 4.120 -0.000 0.000 0.272 118 V C 1.284 177.367 176.094 -0.018 0.000 1.027 118 V CA -0.513 61.777 62.300 -0.018 0.000 0.823 118 V CB 0.811 32.614 31.823 -0.035 0.000 1.030 118 V HN 0.788 nan 8.190 nan 0.000 0.457 119 R N 2.658 123.157 120.500 -0.001 0.000 2.193 119 R HA 0.121 4.460 4.340 -0.000 0.000 0.213 119 R C 1.369 177.671 176.300 0.004 0.000 1.055 119 R CA 0.888 56.988 56.100 0.001 0.000 0.995 119 R CB 0.310 30.616 30.300 0.010 0.000 0.893 119 R HN 0.790 nan 8.270 nan 0.000 0.459 120 G N -0.078 108.730 108.800 0.013 0.000 2.940 120 G HA2 0.134 4.094 3.960 -0.000 0.000 0.164 120 G HA3 0.134 4.094 3.960 -0.000 0.000 0.164 120 G C -0.847 174.020 174.900 -0.055 0.000 1.326 120 G CA -0.538 44.570 45.100 0.014 0.000 1.020 120 G HN -0.052 nan 8.290 nan 0.000 0.586 121 D N -0.108 120.224 120.400 -0.113 0.000 2.193 121 D HA 0.373 5.013 4.640 -0.000 0.000 0.249 121 D C -0.540 175.500 176.300 -0.432 0.000 1.034 121 D CA -0.275 53.519 54.000 -0.343 0.000 0.902 121 D CB 2.476 42.927 40.800 -0.582 0.000 1.182 121 D HN 0.141 nan 8.370 nan 0.000 0.436 122 L N 2.534 123.511 121.223 -0.409 0.000 2.276 122 L HA 0.293 4.633 4.340 -0.000 0.000 0.286 122 L C -1.537 175.057 176.870 -0.460 0.000 1.061 122 L CA -0.222 54.438 54.840 -0.300 0.000 0.807 122 L CB 0.187 42.169 42.059 -0.128 0.000 1.177 122 L HN 0.191 nan 8.230 nan 0.000 0.429 123 Y N 3.660 123.795 120.300 -0.275 0.000 2.393 123 Y HA 0.714 5.263 4.550 -0.000 0.000 0.341 123 Y C 0.234 176.073 175.900 -0.102 0.000 0.988 123 Y CA -0.723 57.211 58.100 -0.277 0.000 1.078 123 Y CB 1.982 40.044 38.460 -0.663 0.000 1.203 123 Y HN 0.732 nan 8.280 nan 0.000 0.453 124 A N 2.415 125.322 122.820 0.146 0.000 2.249 124 A HA 0.390 4.709 4.320 -0.000 0.000 0.314 124 A C -0.964 176.696 177.584 0.127 0.000 1.290 124 A CA -0.520 51.581 52.037 0.107 0.000 0.893 124 A CB 0.075 19.114 19.000 0.064 0.000 1.165 124 A HN 0.633 nan 8.150 nan 0.000 0.530 125 D N 2.786 123.259 120.400 0.122 0.000 2.454 125 D HA 0.270 4.909 4.640 -0.000 0.000 0.225 125 D C -0.471 175.851 176.300 0.036 0.000 1.081 125 D CA -0.282 53.781 54.000 0.106 0.000 0.864 125 D CB 1.093 41.977 40.800 0.140 0.000 1.040 125 D HN 0.527 nan 8.370 nan 0.000 0.517 126 D N 1.242 121.663 120.400 0.036 0.000 2.559 126 D HA -0.042 4.598 4.640 -0.000 0.000 0.234 126 D C 1.098 177.428 176.300 0.050 0.000 1.226 126 D CA -0.196 53.812 54.000 0.013 0.000 0.830 126 D CB -0.208 40.600 40.800 0.014 0.000 1.028 126 D HN 0.261 nan 8.370 nan 0.000 0.492 127 T N -4.333 110.260 114.554 0.065 0.000 3.113 127 T HA -0.123 4.227 4.350 -0.000 0.000 0.263 127 T C 1.468 176.250 174.700 0.136 0.000 1.143 127 T CA -0.134 62.011 62.100 0.075 0.000 1.090 127 T CB -0.814 68.074 68.868 0.035 0.000 0.922 127 T HN 0.414 nan 8.240 nan 0.000 0.521 128 W N 1.467 122.724 121.300 -0.072 0.000 2.342 128 W HA 0.064 4.723 4.660 -0.000 0.000 0.297 128 W C -0.272 176.327 176.519 0.134 0.000 1.213 128 W CA 0.365 57.678 57.345 -0.053 0.000 1.251 128 W CB -0.107 29.233 29.460 -0.199 0.000 1.136 128 W HN 0.243 nan 8.180 nan 0.000 0.526 129 F N 1.745 121.706 119.950 0.018 0.000 2.432 129 F HA 0.087 4.614 4.527 -0.000 0.000 0.329 129 F C 0.849 176.581 175.800 -0.113 0.000 1.076 129 F CA -1.519 56.399 58.000 -0.137 0.000 1.018 129 F CB 0.611 39.536 39.000 -0.125 0.000 1.201 129 F HN -0.211 nan 8.300 nan 0.000 0.489 130 D N -0.356 120.060 120.400 0.026 0.000 2.352 130 D HA -0.053 4.587 4.640 -0.000 0.000 0.238 130 D C 0.568 176.875 176.300 0.012 0.000 1.286 130 D CA -0.332 53.660 54.000 -0.012 0.000 0.923 130 D CB 0.541 41.303 40.800 -0.063 0.000 1.146 130 D HN 0.412 nan 8.370 nan 0.000 0.471 131 S N -2.181 113.529 115.700 0.017 0.000 2.622 131 S HA 0.026 4.496 4.470 -0.000 0.000 0.236 131 S C 0.427 175.054 174.600 0.044 0.000 0.956 131 S CA -0.621 57.602 58.200 0.039 0.000 0.971 131 S CB -0.642 62.584 63.200 0.043 0.000 0.782 131 S HN 0.600 nan 8.310 nan 0.000 0.468 132 E N 1.611 121.827 120.200 0.027 0.000 2.070 132 E HA 0.179 4.529 4.350 -0.000 0.000 0.282 132 E C 0.719 177.407 176.600 0.147 0.000 1.104 132 E CA -0.601 55.855 56.400 0.094 0.000 0.876 132 E CB 0.365 30.150 29.700 0.141 0.000 1.055 132 E HN 0.141 nan 8.360 nan 0.000 0.401 133 R N 3.186 123.788 120.500 0.170 0.000 2.210 133 R HA 0.228 4.568 4.340 -0.000 0.000 0.203 133 R C 0.125 176.611 176.300 0.309 0.000 1.010 133 R CA 0.474 56.693 56.100 0.199 0.000 1.008 133 R CB -0.114 30.280 30.300 0.156 0.000 0.923 133 R HN 0.494 nan 8.270 nan 0.000 0.469 134 L N -0.355 121.004 121.223 0.226 0.000 2.466 134 L HA 0.362 4.702 4.340 -0.000 0.000 0.258 134 L C -0.535 175.997 176.870 -0.563 0.000 0.973 134 L CA -1.006 53.796 54.840 -0.064 0.000 0.826 134 L CB 2.731 44.861 42.059 0.118 0.000 1.372 134 L HN -0.371 nan 8.230 nan 0.000 0.409 135 V N 1.239 120.187 119.914 -1.610 0.000 2.715 135 V HA -0.008 4.111 4.120 -0.000 0.000 0.299 135 V C 0.764 176.391 176.094 -0.779 0.000 1.054 135 V CA 0.033 61.383 62.300 -1.584 0.000 1.077 135 V CB 0.979 31.459 31.823 -2.239 0.000 0.972 135 V HN 0.784 nan 8.190 nan 0.000 0.484 136 D N 3.125 123.234 120.400 -0.485 0.000 2.133 136 D HA -0.192 4.448 4.640 -0.000 0.000 0.192 136 D C 1.601 177.829 176.300 -0.119 0.000 1.001 136 D CA 2.103 55.973 54.000 -0.216 0.000 0.844 136 D CB -0.094 40.611 40.800 -0.158 0.000 0.944 136 D HN 0.936 nan 8.370 nan 0.000 0.447 137 D N -1.018 119.296 120.400 -0.143 0.000 2.340 137 D HA -0.107 4.533 4.640 -0.000 0.000 0.220 137 D C 0.423 176.812 176.300 0.148 0.000 1.039 137 D CA -0.281 53.730 54.000 0.018 0.000 0.866 137 D CB -0.476 40.327 40.800 0.006 0.000 0.913 137 D HN 0.071 nan 8.370 nan 0.000 0.523 138 W N 0.937 122.173 121.300 -0.107 0.000 2.123 138 W HA 0.167 4.827 4.660 -0.000 0.000 0.351 138 W C 0.591 177.168 176.519 0.098 0.000 1.292 138 W CA -1.069 56.209 57.345 -0.112 0.000 1.263 138 W CB -0.112 29.298 29.460 -0.084 0.000 1.165 138 W HN -0.042 nan 8.180 nan 0.000 0.590 139 W N 3.119 124.558 121.300 0.232 0.000 2.335 139 W HA 0.204 4.864 4.660 -0.000 0.000 0.306 139 W C -1.236 175.360 176.519 0.129 0.000 1.216 139 W CA -2.697 54.732 57.345 0.141 0.000 1.237 139 W CB -0.245 29.277 29.460 0.105 0.000 1.243 139 W HN 0.195 nan 8.180 nan 0.000 0.493 140 P HA -0.224 nan 4.420 nan 0.000 0.216 140 P C 1.132 178.526 177.300 0.157 0.000 1.150 140 P CA 1.958 65.170 63.100 0.187 0.000 0.843 140 P CB 0.479 32.253 31.700 0.124 0.000 0.787 141 E N -0.686 119.624 120.200 0.183 0.000 2.209 141 E HA -0.174 4.176 4.350 -0.000 0.000 0.196 141 E C 1.451 178.202 176.600 0.252 0.000 0.993 141 E CA 1.122 57.627 56.400 0.176 0.000 0.819 141 E CB -0.712 29.076 29.700 0.146 0.000 0.745 141 E HN 0.314 nan 8.360 nan 0.000 0.477 142 D N 0.174 120.750 120.400 0.294 0.000 2.317 142 D HA -0.070 4.570 4.640 -0.000 0.000 0.211 142 D C 1.257 177.553 176.300 -0.008 0.000 0.966 142 D CA 0.392 54.548 54.000 0.261 0.000 0.876 142 D CB -0.039 40.909 40.800 0.246 0.000 0.927 142 D HN 0.298 nan 8.370 nan 0.000 0.519 143 E N 0.451 120.642 120.200 -0.015 0.000 2.171 143 E HA -0.167 4.183 4.350 -0.000 0.000 0.197 143 E C -0.800 175.661 176.600 -0.232 0.000 0.997 143 E CA 0.899 57.251 56.400 -0.081 0.000 0.810 143 E CB -0.622 29.081 29.700 0.006 0.000 0.738 143 E HN 0.340 nan 8.360 nan 0.000 0.467 144 P HA -0.122 nan 4.420 nan 0.000 0.223 144 P C -0.378 176.522 177.300 -0.668 0.000 1.151 144 P CA 1.156 63.884 63.100 -0.620 0.000 0.787 144 P CB -0.014 31.131 31.700 -0.925 0.000 0.788 145 Y N -1.535 118.621 120.300 -0.241 0.000 2.352 145 Y HA 0.500 5.049 4.550 -0.000 0.000 0.326 145 Y C 1.965 177.626 175.900 -0.399 0.000 1.166 145 Y CA -0.965 56.943 58.100 -0.320 0.000 1.182 145 Y CB 0.346 38.589 38.460 -0.361 0.000 1.216 145 Y HN -0.222 nan 8.280 nan 0.000 0.474 146 A N 2.084 124.882 122.820 -0.037 0.000 1.986 146 A HA -0.277 4.043 4.320 -0.000 0.000 0.220 146 A C 1.692 179.262 177.584 -0.024 0.000 1.171 146 A CA 2.192 54.221 52.037 -0.014 0.000 0.640 146 A CB -1.321 17.711 19.000 0.053 0.000 0.811 146 A HN 0.954 nan 8.150 nan 0.000 0.451 147 Y N -2.381 117.937 120.300 0.030 0.000 2.561 147 Y HA 0.310 4.860 4.550 -0.000 0.000 0.291 147 Y C 1.675 177.502 175.900 -0.121 0.000 1.141 147 Y CA 0.784 58.861 58.100 -0.039 0.000 1.303 147 Y CB -0.461 37.961 38.460 -0.062 0.000 1.015 147 Y HN 0.169 nan 8.280 nan 0.000 0.547 148 S N 0.674 116.102 115.700 -0.454 0.000 2.624 148 S HA 0.629 5.098 4.470 -0.000 0.000 0.246 148 S C 0.451 175.004 174.600 -0.078 0.000 1.072 148 S CA -0.327 57.667 58.200 -0.343 0.000 1.045 148 S CB -1.110 61.854 63.200 -0.393 0.000 0.851 148 S HN 0.588 nan 8.310 nan 0.000 0.480 149 A N 1.493 124.308 122.820 -0.009 0.000 2.531 149 A HA 0.277 4.597 4.320 -0.000 0.000 0.236 149 A C 0.475 178.179 177.584 0.200 0.000 1.062 149 A CA 0.129 52.213 52.037 0.079 0.000 0.760 149 A CB 0.095 19.148 19.000 0.088 0.000 0.995 149 A HN 0.716 nan 8.150 nan 0.000 0.501 150 Q N 0.375 120.286 119.800 0.185 0.000 2.395 150 Q HA 0.154 4.494 4.340 -0.000 0.000 0.271 150 Q C -0.371 175.770 176.000 0.235 0.000 1.026 150 Q CA 0.135 56.075 55.803 0.228 0.000 0.900 150 Q CB 0.487 29.325 28.738 0.165 0.000 1.266 150 Q HN 0.552 nan 8.270 nan 0.000 0.430 151 I N 1.507 122.232 120.570 0.259 0.000 2.331 151 I HA 0.266 4.435 4.170 -0.000 0.000 0.292 151 I C 0.147 176.355 176.117 0.152 0.000 0.998 151 I CA 0.183 61.606 61.300 0.206 0.000 1.267 151 I CB 1.001 39.102 38.000 0.168 0.000 1.386 151 I HN 0.460 nan 8.210 nan 0.000 0.476 152 S N 3.526 119.334 115.700 0.179 0.000 2.564 152 S HA 0.693 5.163 4.470 -0.000 0.000 0.274 152 S C 0.637 175.315 174.600 0.130 0.000 1.124 152 S CA 0.007 58.303 58.200 0.160 0.000 0.869 152 S CB 1.910 65.165 63.200 0.092 0.000 1.105 152 S HN 0.680 nan 8.310 nan 0.000 0.472 153 A N 2.645 125.433 122.820 -0.054 0.000 2.014 153 A HA 0.295 4.615 4.320 -0.000 0.000 0.218 153 A C 0.715 178.142 177.584 -0.263 0.000 1.163 153 A CA 0.675 52.396 52.037 -0.527 0.000 0.652 153 A CB -0.278 18.360 19.000 -0.604 0.000 0.808 153 A HN 0.694 nan 8.150 nan 0.000 0.449 154 L N 0.584 121.738 121.223 -0.115 0.000 2.316 154 L HA 0.502 4.841 4.340 -0.000 0.000 0.280 154 L C -0.840 176.013 176.870 -0.028 0.000 1.006 154 L CA -0.134 54.658 54.840 -0.080 0.000 0.836 154 L CB 1.639 43.660 42.059 -0.063 0.000 1.221 154 L HN 0.176 nan 8.230 nan 0.000 0.418 155 T N 3.300 117.843 114.554 -0.019 0.000 2.993 155 T HA 0.442 4.792 4.350 -0.000 0.000 0.312 155 T C -0.998 173.722 174.700 0.034 0.000 1.115 155 T CA -0.328 61.787 62.100 0.024 0.000 1.027 155 T CB 1.630 70.536 68.868 0.062 0.000 1.116 155 T HN 0.152 nan 8.240 nan 0.000 0.464 156 V N 4.111 124.055 119.914 0.050 0.000 2.461 156 V HA 0.678 4.798 4.120 -0.000 0.000 0.275 156 V C 0.877 177.050 176.094 0.132 0.000 1.047 156 V CA -0.605 61.740 62.300 0.074 0.000 0.955 156 V CB 0.858 32.719 31.823 0.064 0.000 0.988 156 V HN 1.084 nan 8.190 nan 0.000 0.471 157 A N 3.752 126.677 122.820 0.175 0.000 2.309 157 A HA 0.566 4.886 4.320 -0.000 0.000 0.298 157 A C -0.421 177.309 177.584 0.243 0.000 1.165 157 A CA -0.346 51.853 52.037 0.269 0.000 0.821 157 A CB 0.062 19.313 19.000 0.419 0.000 1.102 157 A HN 1.003 nan 8.150 nan 0.000 0.500 158 H N 1.319 120.465 119.070 0.126 0.000 2.458 158 H HA 0.528 5.084 4.556 -0.000 0.000 0.330 158 H C 0.845 176.161 175.328 -0.021 0.000 1.111 158 H CA 1.091 57.170 56.048 0.053 0.000 1.245 158 H CB 0.979 30.762 29.762 0.034 0.000 1.456 158 H HN 1.505 nan 8.280 nan 0.000 0.488 159 G N 3.429 111.899 108.800 -0.550 0.000 2.806 159 G HA2 -0.305 3.654 3.960 -0.000 0.000 0.236 159 G HA3 -0.305 3.654 3.960 -0.000 0.000 0.236 159 G C 0.672 175.292 174.900 -0.466 0.000 1.387 159 G CA 0.254 45.104 45.100 -0.417 0.000 0.884 159 G HN 0.904 nan 8.290 nan 0.000 0.560 160 E N -0.486 119.471 120.200 -0.405 0.000 2.502 160 E HA 0.117 4.467 4.350 -0.000 0.000 0.194 160 E C 1.886 178.180 176.600 -0.510 0.000 1.062 160 E CA 0.540 56.600 56.400 -0.567 0.000 0.867 160 E CB 0.117 29.700 29.700 -0.195 0.000 0.888 160 E HN 0.555 nan 8.360 nan 0.000 0.510 161 R N -0.154 120.115 120.500 -0.386 0.000 2.334 161 R HA 0.181 4.521 4.340 -0.000 0.000 0.212 161 R C -0.497 175.857 176.300 0.091 0.000 0.897 161 R CA -0.084 55.937 56.100 -0.132 0.000 1.056 161 R CB 0.008 30.093 30.300 -0.359 0.000 1.046 161 R HN 0.093 nan 8.270 nan 0.000 0.513 162 F N 1.665 121.730 119.950 0.192 0.000 2.905 162 F HA -0.215 4.312 4.527 -0.000 0.000 0.311 162 F C -0.849 175.062 175.800 0.184 0.000 1.005 162 F CA 0.151 58.291 58.000 0.233 0.000 1.029 162 F CB -1.587 37.632 39.000 0.364 0.000 1.151 162 F HN 0.069 nan 8.300 nan 0.000 0.805 163 D N 1.567 122.097 120.400 0.216 0.000 2.352 163 D HA 0.183 4.823 4.640 -0.000 0.000 0.245 163 D C 0.895 177.308 176.300 0.188 0.000 1.224 163 D CA 0.319 54.407 54.000 0.147 0.000 0.879 163 D CB 1.074 41.928 40.800 0.090 0.000 1.057 163 D HN 0.355 nan 8.370 nan 0.000 0.491 164 T N -1.620 113.047 114.554 0.188 0.000 2.904 164 T HA 0.434 4.784 4.350 -0.000 0.000 0.290 164 T C 1.286 176.065 174.700 0.132 0.000 1.018 164 T CA -0.112 62.096 62.100 0.181 0.000 1.075 164 T CB 1.546 70.533 68.868 0.199 0.000 0.986 164 T HN 0.554 nan 8.240 nan 0.000 0.523 165 G N 0.422 109.292 108.800 0.116 0.000 2.179 165 G HA2 -0.117 3.842 3.960 -0.000 0.000 0.257 165 G HA3 -0.117 3.842 3.960 -0.000 0.000 0.257 165 G C 0.106 175.051 174.900 0.075 0.000 1.010 165 G CA 0.368 45.526 45.100 0.096 0.000 0.736 165 G HN 1.903 nan 8.290 nan 0.000 0.513 166 V N -4.005 115.949 119.914 0.068 0.000 3.126 166 V HA 0.995 5.115 4.120 -0.000 0.000 0.314 166 V C -0.039 176.065 176.094 0.017 0.000 1.138 166 V CA -0.068 62.248 62.300 0.027 0.000 1.034 166 V CB 2.100 33.920 31.823 -0.004 0.000 1.075 166 V HN 0.799 nan 8.190 nan 0.000 0.442 167 T N 0.527 115.068 114.554 -0.021 0.000 2.906 167 T HA 0.464 4.814 4.350 -0.000 0.000 0.295 167 T C -0.964 173.667 174.700 -0.115 0.000 1.061 167 T CA -0.384 61.697 62.100 -0.032 0.000 1.000 167 T CB 1.773 70.653 68.868 0.021 0.000 1.103 167 T HN 1.104 nan 8.240 nan 0.000 0.486 168 E N 2.667 122.782 120.200 -0.143 0.000 2.089 168 E HA 0.497 4.847 4.350 -0.000 0.000 0.284 168 E C -0.941 175.630 176.600 -0.048 0.000 1.023 168 E CA -0.579 55.732 56.400 -0.150 0.000 0.819 168 E CB 0.603 30.209 29.700 -0.156 0.000 1.076 168 E HN 0.372 nan 8.360 nan 0.000 0.396 169 V N 4.384 124.273 119.914 -0.041 0.000 2.465 169 V HA 0.296 4.416 4.120 -0.000 0.000 0.279 169 V C -0.069 176.020 176.094 -0.008 0.000 1.045 169 V CA -0.452 61.838 62.300 -0.016 0.000 0.938 169 V CB 1.257 33.071 31.823 -0.015 0.000 0.986 169 V HN 0.754 nan 8.190 nan 0.000 0.467 170 S N 4.037 119.738 115.700 0.002 0.000 2.532 170 S HA 0.810 5.280 4.470 -0.000 0.000 0.299 170 S C -1.020 173.584 174.600 0.006 0.000 1.105 170 S CA -0.746 57.458 58.200 0.006 0.000 1.018 170 S CB 1.824 65.030 63.200 0.010 0.000 1.021 170 S HN 0.378 nan 8.310 nan 0.000 0.483 171 V N 2.818 122.736 119.914 0.007 0.000 2.448 171 V HA 0.750 4.870 4.120 -0.000 0.000 0.295 171 V C 0.185 176.283 176.094 0.007 0.000 1.025 171 V CA -0.468 61.836 62.300 0.007 0.000 0.859 171 V CB 1.389 33.216 31.823 0.007 0.000 0.988 171 V HN 1.120 nan 8.190 nan 0.000 0.431 172 T N 3.188 117.746 114.554 0.007 0.000 2.841 172 T HA 0.651 5.001 4.350 -0.000 0.000 0.283 172 T C -2.924 171.780 174.700 0.006 0.000 1.000 172 T CA -2.378 59.726 62.100 0.006 0.000 0.977 172 T CB 2.364 71.237 68.868 0.007 0.000 0.979 172 T HN 0.452 nan 8.240 nan 0.000 0.446 173 P HA 0.374 nan 4.420 nan 0.000 0.275 173 P C 0.092 177.395 177.300 0.004 0.000 1.227 173 P CA -0.317 62.786 63.100 0.004 0.000 0.781 173 P CB 0.996 32.698 31.700 0.004 0.000 0.906 174 A N 3.688 126.510 122.820 0.004 0.000 3.754 174 A HA 0.655 4.975 4.320 -0.000 0.000 0.165 174 A C 0.556 178.142 177.584 0.003 0.000 1.775 174 A CA 0.284 52.323 52.037 0.003 0.000 1.457 174 A CB -0.786 18.216 19.000 0.003 0.000 1.597 174 A HN 0.606 nan 8.150 nan 0.000 0.658 175 A N -0.782 122.040 122.820 0.002 0.000 2.294 175 A HA 0.538 4.858 4.320 -0.000 0.000 0.330 175 A C 0.054 177.639 177.584 0.002 0.000 1.133 175 A CA -0.422 51.616 52.037 0.002 0.000 0.836 175 A CB 0.235 19.236 19.000 0.002 0.000 1.190 175 A HN 0.661 nan 8.150 nan 0.000 0.492 176 E N 0.055 120.256 120.200 0.002 0.000 2.558 176 E HA 0.261 4.611 4.350 -0.000 0.000 0.255 176 E C 1.213 177.814 176.600 0.001 0.000 0.968 176 E CA 1.305 57.706 56.400 0.002 0.000 0.939 176 E CB -0.018 29.683 29.700 0.002 0.000 0.921 176 E HN 1.455 nan 8.360 nan 0.000 0.477 177 G N 3.744 112.545 108.800 0.001 0.000 2.268 177 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.240 177 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.240 177 G C -0.036 174.864 174.900 0.001 0.000 1.010 177 G CA 0.412 45.513 45.100 0.001 0.000 0.618 177 G HN 0.667 nan 8.290 nan 0.000 0.516 178 E N 1.408 121.609 120.200 0.001 0.000 2.283 178 E HA 0.566 4.916 4.350 -0.000 0.000 0.267 178 E C -2.796 173.805 176.600 0.001 0.000 1.045 178 E CA -2.380 54.021 56.400 0.001 0.000 0.884 178 E CB 1.025 30.726 29.700 0.001 0.000 1.106 178 E HN 0.167 nan 8.360 nan 0.000 0.408 179 P HA -0.034 nan 4.420 nan 0.000 0.267 179 P C -0.808 176.492 177.300 0.002 0.000 1.200 179 P CA 0.309 63.409 63.100 0.001 0.000 0.772 179 P CB 0.531 32.231 31.700 0.000 0.000 0.855 180 A N 2.424 125.245 122.820 0.002 0.000 2.313 180 A HA 0.264 4.584 4.320 -0.000 0.000 0.261 180 A C -0.075 177.510 177.584 0.003 0.000 1.090 180 A CA -0.231 51.808 52.037 0.003 0.000 0.807 180 A CB 0.012 19.014 19.000 0.003 0.000 1.055 180 A HN 0.434 nan 8.150 nan 0.000 0.492 181 D N 0.716 121.118 120.400 0.004 0.000 2.274 181 D HA 0.459 5.099 4.640 -0.000 0.000 0.239 181 D C -0.843 175.460 176.300 0.005 0.000 1.104 181 D CA 0.184 54.186 54.000 0.004 0.000 0.840 181 D CB 1.520 42.323 40.800 0.005 0.000 1.100 181 D HN 0.131 nan 8.370 nan 0.000 0.477 182 V N 2.429 122.345 119.914 0.004 0.000 2.448 182 V HA 0.298 4.418 4.120 -0.000 0.000 0.295 182 V C -0.200 175.898 176.094 0.006 0.000 1.025 182 V CA -0.856 61.446 62.300 0.003 0.000 0.859 182 V CB 2.041 33.864 31.823 -0.000 0.000 0.988 182 V HN 0.411 nan 8.190 nan 0.000 0.431 183 D N 2.977 123.382 120.400 0.008 0.000 2.375 183 D HA 0.491 5.131 4.640 -0.000 0.000 0.247 183 D C 0.532 176.840 176.300 0.012 0.000 1.061 183 D CA -0.528 53.480 54.000 0.013 0.000 0.834 183 D CB 1.824 42.635 40.800 0.018 0.000 1.247 183 D HN 0.416 nan 8.370 nan 0.000 0.489 184 L N 3.246 124.478 121.223 0.016 0.000 2.592 184 L HA 0.317 4.657 4.340 -0.000 0.000 0.227 184 L C 1.637 178.523 176.870 0.026 0.000 1.127 184 L CA 0.268 55.116 54.840 0.014 0.000 0.884 184 L CB -0.991 41.073 42.059 0.010 0.000 1.065 184 L HN 0.815 nan 8.230 nan 0.000 0.457 185 G N 1.133 109.955 108.800 0.036 0.000 2.591 185 G HA2 -0.458 3.502 3.960 -0.000 0.000 0.298 185 G HA3 -0.458 3.502 3.960 -0.000 0.000 0.298 185 G C 1.021 175.966 174.900 0.075 0.000 1.195 185 G CA 0.587 45.720 45.100 0.054 0.000 0.989 185 G HN 0.304 nan 8.290 nan 0.000 0.551 186 A N -0.302 122.571 122.820 0.089 0.000 1.940 186 A HA 0.295 4.614 4.320 -0.000 0.000 0.219 186 A C 2.757 180.407 177.584 0.109 0.000 1.176 186 A CA 3.283 55.384 52.037 0.107 0.000 0.631 186 A CB -0.825 18.242 19.000 0.111 0.000 0.814 186 A HN 2.307 nan 8.150 nan 0.000 0.446 187 A N -0.350 122.524 122.820 0.089 0.000 2.276 187 A HA 0.199 4.518 4.320 -0.000 0.000 0.212 187 A C 0.412 178.023 177.584 0.045 0.000 1.230 187 A CA -0.193 51.906 52.037 0.103 0.000 0.844 187 A CB -0.224 18.867 19.000 0.152 0.000 0.860 187 A HN 0.388 nan 8.150 nan 0.000 0.486 188 E N -0.200 120.036 120.200 0.060 0.000 2.417 188 E HA 0.248 4.598 4.350 -0.000 0.000 0.261 188 E C 1.302 177.942 176.600 0.067 0.000 1.000 188 E CA 1.118 57.553 56.400 0.058 0.000 0.919 188 E CB 0.443 30.190 29.700 0.079 0.000 0.955 188 E HN 0.660 nan 8.360 nan 0.000 0.455 189 G N 3.334 112.152 108.800 0.030 0.000 2.212 189 G HA2 -0.382 3.577 3.960 -0.000 0.000 0.266 189 G HA3 -0.382 3.577 3.960 -0.000 0.000 0.266 189 G C 0.633 175.468 174.900 -0.108 0.000 0.978 189 G CA 0.836 45.964 45.100 0.047 0.000 0.632 189 G HN 0.609 nan 8.290 nan 0.000 0.537 190 Y N 0.806 120.853 120.300 -0.423 0.000 2.447 190 Y HA 0.700 5.250 4.550 -0.000 0.000 0.286 190 Y C 1.762 177.547 175.900 -0.191 0.000 1.153 190 Y CA 1.320 59.152 58.100 -0.446 0.000 1.241 190 Y CB -0.164 37.932 38.460 -0.608 0.000 1.284 190 Y HN 0.621 nan 8.280 nan 0.000 0.520 191 A N 1.315 123.972 122.820 -0.272 0.000 2.286 191 A HA 0.384 4.704 4.320 -0.000 0.000 0.286 191 A C -0.435 177.045 177.584 -0.173 0.000 1.097 191 A CA -0.564 51.300 52.037 -0.288 0.000 0.821 191 A CB 0.189 19.108 19.000 -0.134 0.000 1.076 191 A HN 0.468 nan 8.150 nan 0.000 0.490 192 E N 0.067 120.174 120.200 -0.155 0.000 2.266 192 E HA 0.344 4.694 4.350 -0.000 0.000 0.277 192 E C -1.233 175.325 176.600 -0.069 0.000 1.018 192 E CA -0.671 55.670 56.400 -0.098 0.000 0.840 192 E CB 1.686 31.331 29.700 -0.093 0.000 1.082 192 E HN 0.452 nan 8.360 nan 0.000 0.395 193 L N 2.854 124.048 121.223 -0.048 0.000 2.275 193 L HA 0.244 4.584 4.340 -0.000 0.000 0.288 193 L C -0.659 176.192 176.870 -0.030 0.000 1.046 193 L CA -0.050 54.770 54.840 -0.034 0.000 0.805 193 L CB 1.026 43.071 42.059 -0.022 0.000 1.193 193 L HN 0.330 nan 8.230 nan 0.000 0.426 194 D N 3.396 123.779 120.400 -0.028 0.000 2.458 194 D HA 0.176 4.816 4.640 -0.000 0.000 0.258 194 D C -0.915 175.375 176.300 -0.016 0.000 1.134 194 D CA -0.284 53.702 54.000 -0.022 0.000 0.915 194 D CB 0.184 40.969 40.800 -0.025 0.000 1.028 194 D HN 0.465 nan 8.370 nan 0.000 0.508 195 N N 2.456 121.149 118.700 -0.013 0.000 2.437 195 N HA 0.232 4.971 4.740 -0.000 0.000 0.243 195 N C 0.025 175.531 175.510 -0.006 0.000 1.041 195 N CA -0.052 52.993 53.050 -0.008 0.000 0.940 195 N CB 0.439 38.922 38.487 -0.006 0.000 1.133 195 N HN 0.269 nan 8.380 nan 0.000 0.506 196 R N 1.527 122.024 120.500 -0.005 0.000 2.600 196 R HA 0.395 4.735 4.340 -0.000 0.000 0.392 196 R C -0.295 176.004 176.300 -0.001 0.000 1.032 196 R CA -0.356 55.742 56.100 -0.003 0.000 1.139 196 R CB 0.789 31.087 30.300 -0.004 0.000 1.400 196 R HN 0.454 nan 8.270 nan 0.000 0.566 197 A N 0.943 123.763 122.820 -0.000 0.000 2.354 197 A HA 0.521 4.841 4.320 -0.000 0.000 0.269 197 A C 0.326 177.911 177.584 0.002 0.000 1.109 197 A CA -0.471 51.567 52.037 0.002 0.000 0.800 197 A CB 0.517 19.519 19.000 0.003 0.000 1.045 197 A HN 0.084 nan 8.150 nan 0.000 0.489 198 V N -0.160 119.755 119.914 0.002 0.000 2.850 198 V HA 0.718 4.838 4.120 -0.000 0.000 0.315 198 V C 0.218 176.313 176.094 0.003 0.000 1.064 198 V CA -0.723 61.578 62.300 0.002 0.000 0.979 198 V CB 1.264 33.088 31.823 0.002 0.000 1.039 198 V HN 0.787 nan 8.190 nan 0.000 0.452 199 T N 2.405 116.961 114.554 0.002 0.000 2.794 199 T HA 0.570 4.919 4.350 -0.000 0.000 0.296 199 T C 0.559 175.261 174.700 0.002 0.000 0.949 199 T CA 0.415 62.517 62.100 0.003 0.000 1.101 199 T CB 0.928 69.798 68.868 0.003 0.000 0.905 199 T HN 1.231 nan 8.240 nan 0.000 0.516 200 G N 1.179 109.981 108.800 0.003 0.000 2.535 200 G HA2 0.611 4.571 3.960 -0.000 0.000 0.303 200 G HA3 0.611 4.571 3.960 -0.000 0.000 0.303 200 G C -0.063 174.838 174.900 0.002 0.000 1.237 200 G CA -0.934 44.168 45.100 0.002 0.000 0.986 200 G HN 0.992 nan 8.290 nan 0.000 0.494 201 A N -0.584 122.237 122.820 0.002 0.000 2.483 201 A HA 0.556 4.876 4.320 -0.000 0.000 0.238 201 A C 1.079 178.664 177.584 0.002 0.000 1.070 201 A CA 0.422 52.460 52.037 0.002 0.000 0.770 201 A CB -0.233 18.767 19.000 0.001 0.000 1.008 201 A HN 1.940 nan 8.150 nan 0.000 0.497 202 A N 1.078 123.899 122.820 0.002 0.000 2.546 202 A HA 0.465 4.785 4.320 -0.000 0.000 0.243 202 A C 1.634 179.219 177.584 0.002 0.000 1.063 202 A CA 0.831 52.869 52.037 0.002 0.000 0.757 202 A CB -0.867 18.134 19.000 0.002 0.000 0.991 202 A HN 2.789 nan 8.150 nan 0.000 0.503 203 G N 1.591 110.392 108.800 0.002 0.000 2.148 203 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.254 203 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.254 203 G C 0.548 175.449 174.900 0.001 0.000 0.981 203 G CA 1.010 46.111 45.100 0.002 0.000 0.670 203 G HN 2.162 nan 8.290 nan 0.000 0.528 204 S N -0.330 115.371 115.700 0.002 0.000 2.681 204 S HA 0.815 5.285 4.470 -0.000 0.000 0.270 204 S C 0.773 175.374 174.600 0.002 0.000 1.209 204 S CA 0.362 58.563 58.200 0.002 0.000 0.988 204 S CB 1.825 65.026 63.200 0.002 0.000 1.006 204 S HN 1.904 nan 8.310 nan 0.000 0.558 205 A N 1.516 124.337 122.820 0.002 0.000 2.462 205 A HA 0.320 4.640 4.320 -0.000 0.000 0.243 205 A C 0.416 178.002 177.584 0.003 0.000 1.076 205 A CA -0.459 51.579 52.037 0.002 0.000 0.773 205 A CB -0.455 18.547 19.000 0.002 0.000 1.010 205 A HN 0.812 nan 8.150 nan 0.000 0.493 206 N N 1.373 120.075 118.700 0.003 0.000 2.406 206 N HA 0.177 4.917 4.740 -0.000 0.000 0.251 206 N C 0.526 176.040 175.510 0.006 0.000 1.069 206 N CA 0.550 53.603 53.050 0.005 0.000 0.947 206 N CB 0.783 39.273 38.487 0.005 0.000 1.111 206 N HN 0.646 nan 8.380 nan 0.000 0.497 207 T N 1.268 115.826 114.554 0.007 0.000 3.228 207 T HA 0.180 4.530 4.350 -0.000 0.000 0.278 207 T C 0.541 175.248 174.700 0.012 0.000 1.014 207 T CA -0.529 61.576 62.100 0.008 0.000 0.904 207 T CB -0.417 68.455 68.868 0.007 0.000 1.110 207 T HN 0.264 nan 8.240 nan 0.000 0.541 208 L N 2.578 123.808 121.223 0.013 0.000 2.455 208 L HA 0.492 4.832 4.340 -0.000 0.000 0.272 208 L C -0.652 176.233 176.870 0.024 0.000 1.174 208 L CA 0.153 55.002 54.840 0.016 0.000 0.869 208 L CB 0.701 42.769 42.059 0.014 0.000 1.130 208 L HN 0.150 nan 8.230 nan 0.000 0.474 209 V N 7.025 126.955 119.914 0.027 0.000 2.487 209 V HA 0.444 4.564 4.120 -0.000 0.000 0.298 209 V C -0.080 176.036 176.094 0.037 0.000 1.028 209 V CA -0.461 61.863 62.300 0.041 0.000 0.860 209 V CB 1.648 33.495 31.823 0.041 0.000 0.991 209 V HN 0.571 nan 8.190 nan 0.000 0.427 210 I N 4.175 124.778 120.570 0.054 0.000 2.382 210 I HA 0.526 4.696 4.170 -0.000 0.000 0.286 210 I C -0.715 175.412 176.117 0.016 0.000 1.002 210 I CA -0.125 61.194 61.300 0.031 0.000 1.135 210 I CB 1.619 39.637 38.000 0.030 0.000 1.288 210 I HN 0.535 nan 8.210 nan 0.000 0.448 211 D N 4.952 125.338 120.400 -0.023 0.000 2.477 211 D HA 0.434 5.074 4.640 -0.000 0.000 0.234 211 D C -0.870 175.372 176.300 -0.097 0.000 1.048 211 D CA -0.794 53.165 54.000 -0.069 0.000 0.959 211 D CB 2.274 43.056 40.800 -0.030 0.000 1.408 211 D HN 0.391 nan 8.370 nan 0.000 0.496 212 R N 2.086 122.504 120.500 -0.137 0.000 2.407 212 R HA 0.446 4.786 4.340 -0.000 0.000 0.298 212 R C -2.499 173.749 176.300 -0.086 0.000 1.166 212 R CA -1.657 54.378 56.100 -0.108 0.000 1.006 212 R CB 1.134 31.360 30.300 -0.123 0.000 1.145 212 R HN 0.203 nan 8.270 nan 0.000 0.538 213 P HA -0.151 nan 4.420 nan 0.000 0.263 213 P C -0.183 177.095 177.300 -0.036 0.000 1.175 213 P CA -0.045 63.031 63.100 -0.041 0.000 0.761 213 P CB 0.639 32.320 31.700 -0.032 0.000 0.794 214 V N 4.384 124.284 119.914 -0.024 0.000 2.681 214 V HA 0.097 4.217 4.120 -0.000 0.000 0.306 214 V C 1.473 177.563 176.094 -0.007 0.000 1.077 214 V CA 2.051 64.345 62.300 -0.010 0.000 1.224 214 V CB -0.743 31.084 31.823 0.007 0.000 0.879 214 V HN 1.015 nan 8.190 nan 0.000 0.494 215 G N 3.669 112.469 108.800 -0.001 0.000 2.179 215 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.257 215 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.257 215 G C 0.235 175.128 174.900 -0.013 0.000 1.010 215 G CA 0.860 45.961 45.100 0.001 0.000 0.736 215 G HN 1.741 nan 8.290 nan 0.000 0.513 216 T N -3.322 111.216 114.554 -0.026 0.000 2.926 216 T HA 0.635 4.985 4.350 -0.000 0.000 0.289 216 T C -0.022 174.642 174.700 -0.060 0.000 1.054 216 T CA -0.369 61.705 62.100 -0.043 0.000 1.015 216 T CB 2.091 70.931 68.868 -0.047 0.000 1.167 216 T HN 0.115 nan 8.240 nan 0.000 0.526 217 N N 0.517 119.162 118.700 -0.092 0.000 2.839 217 N HA 0.324 5.064 4.740 -0.000 0.000 0.314 217 N C -1.168 174.257 175.510 -0.140 0.000 1.449 217 N CA -0.292 52.675 53.050 -0.138 0.000 1.050 217 N CB 0.087 38.431 38.487 -0.239 0.000 1.364 217 N HN 0.671 nan 8.380 nan 0.000 0.512 218 T N 1.426 115.922 114.554 -0.097 0.000 2.809 218 T HA 0.365 4.715 4.350 -0.000 0.000 0.284 218 T C -0.082 174.575 174.700 -0.070 0.000 0.992 218 T CA -0.546 61.504 62.100 -0.083 0.000 0.957 218 T CB 0.896 69.725 68.868 -0.066 0.000 0.942 218 T HN 0.003 nan 8.240 nan 0.000 0.439 219 I N 3.433 123.964 120.570 -0.064 0.000 2.379 219 I HA 0.404 4.574 4.170 -0.000 0.000 0.290 219 I C 0.675 176.767 176.117 -0.041 0.000 1.063 219 I CA -0.652 60.616 61.300 -0.052 0.000 1.351 219 I CB -0.112 37.863 38.000 -0.042 0.000 1.410 219 I HN 0.655 nan 8.210 nan 0.000 0.505 220 A N 7.497 130.295 122.820 -0.038 0.000 2.271 220 A HA 0.697 5.017 4.320 -0.000 0.000 0.317 220 A C -0.435 177.139 177.584 -0.016 0.000 1.245 220 A CA -0.479 51.542 52.037 -0.026 0.000 0.857 220 A CB 0.951 19.936 19.000 -0.025 0.000 1.175 220 A HN 0.431 nan 8.150 nan 0.000 0.512 221 V N 2.936 122.844 119.914 -0.011 0.000 2.448 221 V HA 0.745 4.865 4.120 -0.000 0.000 0.295 221 V C 0.281 176.375 176.094 0.000 0.000 1.025 221 V CA -0.120 62.179 62.300 -0.003 0.000 0.859 221 V CB 1.367 33.188 31.823 -0.002 0.000 0.988 221 V HN 1.113 nan 8.190 nan 0.000 0.431 222 T N 0.639 115.196 114.554 0.005 0.000 2.865 222 T HA 0.962 5.312 4.350 -0.000 0.000 0.294 222 T C 0.034 174.739 174.700 0.009 0.000 1.119 222 T CA -0.135 61.968 62.100 0.006 0.000 1.007 222 T CB 1.935 70.806 68.868 0.006 0.000 1.225 222 T HN 1.955 nan 8.240 nan 0.000 0.515 223 G N 0.232 109.037 108.800 0.007 0.000 2.526 223 G HA2 0.285 4.245 3.960 -0.000 0.000 0.250 223 G HA3 0.285 4.245 3.960 -0.000 0.000 0.250 223 G C -0.559 174.345 174.900 0.006 0.000 1.289 223 G CA -0.255 44.850 45.100 0.008 0.000 0.947 223 G HN 1.533 nan 8.290 nan 0.000 0.517 224 S N -0.972 114.731 115.700 0.006 0.000 2.561 224 S HA 0.659 5.129 4.470 -0.000 0.000 0.303 224 S C -0.832 173.772 174.600 0.005 0.000 1.110 224 S CA -0.460 57.743 58.200 0.005 0.000 1.034 224 S CB 1.237 64.440 63.200 0.004 0.000 1.010 224 S HN 1.551 nan 8.310 nan 0.000 0.482 225 L N 6.996 128.222 121.223 0.005 0.000 2.296 225 L HA 0.691 5.031 4.340 -0.000 0.000 0.286 225 L C -2.569 174.303 176.870 0.004 0.000 1.023 225 L CA -1.925 52.918 54.840 0.005 0.000 0.812 225 L CB 1.370 43.432 42.059 0.006 0.000 1.223 225 L HN 0.401 nan 8.230 nan 0.000 0.421 226 P HA 0.137 nan 4.420 nan 0.000 0.268 226 P C -0.013 177.289 177.300 0.003 0.000 1.205 226 P CA -0.061 63.041 63.100 0.003 0.000 0.771 226 P CB 0.827 32.529 31.700 0.003 0.000 0.858 227 A N 3.292 126.114 122.820 0.003 0.000 2.024 227 A HA -0.201 4.119 4.320 -0.000 0.000 0.220 227 A C 1.374 178.960 177.584 0.003 0.000 1.164 227 A CA 2.078 54.116 52.037 0.003 0.000 0.643 227 A CB -1.087 17.915 19.000 0.003 0.000 0.806 227 A HN 0.645 nan 8.150 nan 0.000 0.451 228 D N -0.792 119.610 120.400 0.003 0.000 2.340 228 D HA 0.419 5.059 4.640 -0.000 0.000 0.217 228 D C 0.506 176.808 176.300 0.003 0.000 1.081 228 D CA 0.405 54.406 54.000 0.003 0.000 0.842 228 D CB -0.483 40.319 40.800 0.003 0.000 0.934 228 D HN 0.353 nan 8.370 nan 0.000 0.511 229 A N 0.374 123.197 122.820 0.004 0.000 2.322 229 A HA 0.648 4.968 4.320 -0.000 0.000 0.269 229 A C 0.635 178.222 177.584 0.004 0.000 1.094 229 A CA -0.177 51.862 52.037 0.004 0.000 0.807 229 A CB 0.487 19.489 19.000 0.004 0.000 1.047 229 A HN 0.351 nan 8.150 nan 0.000 0.487 230 A N 2.184 125.006 122.820 0.005 0.000 2.346 230 A HA 0.608 4.927 4.320 -0.000 0.000 0.252 230 A C -2.217 175.371 177.584 0.006 0.000 1.089 230 A CA -1.224 50.816 52.037 0.005 0.000 0.797 230 A CB -0.802 18.201 19.000 0.005 0.000 1.047 230 A HN 0.659 nan 8.150 nan 0.000 0.494 231 P HA 0.202 nan 4.420 nan 0.000 0.266 231 P C -0.783 176.522 177.300 0.008 0.000 1.193 231 P CA -0.016 63.088 63.100 0.008 0.000 0.770 231 P CB 0.334 32.039 31.700 0.009 0.000 0.836 232 V N 3.636 123.554 119.914 0.008 0.000 2.465 232 V HA 0.321 4.441 4.120 -0.000 0.000 0.279 232 V C 0.322 176.421 176.094 0.007 0.000 1.045 232 V CA 0.171 62.476 62.300 0.008 0.000 0.938 232 V CB 1.191 33.020 31.823 0.010 0.000 0.986 232 V HN 0.566 nan 8.190 nan 0.000 0.467 233 T N 3.982 118.539 114.554 0.006 0.000 2.841 233 T HA 0.814 5.164 4.350 -0.000 0.000 0.285 233 T C -0.361 174.337 174.700 -0.003 0.000 0.991 233 T CA -0.419 61.681 62.100 0.001 0.000 0.966 233 T CB 1.723 70.594 68.868 0.005 0.000 0.962 233 T HN 0.993 nan 8.240 nan 0.000 0.438 234 A N 2.914 125.727 122.820 -0.012 0.000 2.574 234 A HA 0.755 5.075 4.320 -0.000 0.000 0.297 234 A C -1.302 176.260 177.584 -0.037 0.000 1.062 234 A CA -0.828 51.205 52.037 -0.007 0.000 0.686 234 A CB 1.148 20.164 19.000 0.026 0.000 1.285 234 A HN 0.809 nan 8.150 nan 0.000 0.403 235 L N 2.846 124.046 121.223 -0.039 0.000 2.281 235 L HA 0.507 4.846 4.340 -0.000 0.000 0.285 235 L C 0.069 176.925 176.870 -0.023 0.000 1.074 235 L CA -0.547 54.249 54.840 -0.073 0.000 0.817 235 L CB 0.554 42.561 42.059 -0.087 0.000 1.168 235 L HN 0.601 nan 8.230 nan 0.000 0.434 236 R N 1.223 121.694 120.500 -0.049 0.000 2.740 236 R HA 0.451 4.791 4.340 -0.000 0.000 0.282 236 R C -0.141 176.123 176.300 -0.060 0.000 0.969 236 R CA -0.723 55.338 56.100 -0.065 0.000 0.918 236 R CB 2.025 32.279 30.300 -0.078 0.000 1.175 236 R HN 0.666 nan 8.270 nan 0.000 0.464 237 T N -1.756 112.748 114.554 -0.083 0.000 2.860 237 T HA 0.391 4.741 4.350 -0.000 0.000 0.299 237 T C 0.735 175.429 174.700 -0.011 0.000 1.045 237 T CA -0.626 61.450 62.100 -0.039 0.000 1.071 237 T CB 0.749 69.583 68.868 -0.056 0.000 0.985 237 T HN 0.375 nan 8.240 nan 0.000 0.537 238 V N -1.191 118.750 119.914 0.046 0.000 3.019 238 V HA 0.642 4.762 4.120 -0.000 0.000 0.317 238 V C -0.358 175.797 176.094 0.103 0.000 1.094 238 V CA -1.306 61.048 62.300 0.090 0.000 1.000 238 V CB 1.595 33.550 31.823 0.221 0.000 1.060 238 V HN 0.950 nan 8.190 nan 0.000 0.443 239 D N 1.629 122.083 120.400 0.091 0.000 2.382 239 D HA 0.212 4.851 4.640 -0.000 0.000 0.245 239 D C 0.048 176.462 176.300 0.189 0.000 1.120 239 D CA 0.758 54.816 54.000 0.097 0.000 0.890 239 D CB 0.356 41.175 40.800 0.032 0.000 1.201 239 D HN 0.799 nan 8.370 nan 0.000 0.433 240 E N 2.133 122.428 120.200 0.157 0.000 2.560 240 E HA -0.155 4.195 4.350 -0.000 0.000 0.158 240 E C -1.913 174.775 176.600 0.147 0.000 1.709 240 E CA 0.078 56.576 56.400 0.163 0.000 0.653 240 E CB -0.850 28.962 29.700 0.188 0.000 1.090 240 E HN 0.496 nan 8.360 nan 0.000 0.355 241 P HA -0.200 nan 4.420 nan 0.000 0.216 241 P C 1.378 178.687 177.300 0.014 0.000 1.150 241 P CA 2.134 65.273 63.100 0.065 0.000 0.843 241 P CB 0.170 31.919 31.700 0.081 0.000 0.787 242 A N -0.086 122.752 122.820 0.030 0.000 1.933 242 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 242 A C 2.286 179.863 177.584 -0.010 0.000 1.175 242 A CA 2.048 54.093 52.037 0.013 0.000 0.628 242 A CB -1.494 17.527 19.000 0.036 0.000 0.814 242 A HN 0.222 nan 8.150 nan 0.000 0.444 243 A N -0.948 121.868 122.820 -0.007 0.000 2.016 243 A HA 0.179 4.499 4.320 -0.000 0.000 0.217 243 A C 2.020 179.395 177.584 -0.348 0.000 1.162 243 A CA 1.309 53.322 52.037 -0.039 0.000 0.662 243 A CB -0.410 18.669 19.000 0.133 0.000 0.812 243 A HN 0.632 nan 8.150 nan 0.000 0.450 244 L N -0.287 120.593 121.223 -0.572 0.000 2.109 244 L HA 0.054 4.394 4.340 -0.000 0.000 0.207 244 L C 2.530 179.257 176.870 -0.238 0.000 1.086 244 L CA 2.015 56.406 54.840 -0.748 0.000 0.760 244 L CB -0.670 41.062 42.059 -0.546 0.000 0.910 244 L HN 0.288 nan 8.230 nan 0.000 0.437 245 A N -0.342 122.406 122.820 -0.120 0.000 1.933 245 A HA -0.052 4.268 4.320 -0.000 0.000 0.218 245 A C 2.316 179.910 177.584 0.017 0.000 1.175 245 A CA 1.481 53.498 52.037 -0.032 0.000 0.628 245 A CB -1.577 17.402 19.000 -0.034 0.000 0.814 245 A HN 0.533 nan 8.150 nan 0.000 0.444 246 G N -0.942 107.859 108.800 0.001 0.000 2.480 246 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.216 246 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.216 246 G C 1.459 176.395 174.900 0.060 0.000 1.200 246 G CA 1.496 46.630 45.100 0.057 0.000 0.782 246 G HN 0.739 nan 8.290 nan 0.000 0.554 247 H N 0.589 119.603 119.070 -0.093 0.000 2.289 247 H HA -0.050 4.506 4.556 -0.000 0.000 0.294 247 H C 2.579 177.887 175.328 -0.032 0.000 1.095 247 H CA 1.982 57.983 56.048 -0.078 0.000 1.256 247 H CB -0.288 29.371 29.762 -0.171 0.000 1.359 247 H HN 0.288 nan 8.280 nan 0.000 0.487 248 L N -1.176 120.068 121.223 0.036 0.000 2.093 248 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 248 L C 2.227 179.129 176.870 0.053 0.000 1.085 248 L CA 0.971 55.828 54.840 0.030 0.000 0.755 248 L CB -0.459 41.644 42.059 0.073 0.000 0.904 248 L HN 0.285 nan 8.230 nan 0.000 0.435 249 F N 1.086 120.990 119.950 -0.078 0.000 2.146 249 F HA -0.209 4.318 4.527 -0.000 0.000 0.298 249 F C 2.526 178.276 175.800 -0.084 0.000 1.096 249 F CA 1.740 59.700 58.000 -0.068 0.000 1.275 249 F CB -0.291 38.679 39.000 -0.049 0.000 1.008 249 F HN 0.132 nan 8.300 nan 0.000 0.480 250 E N 0.274 120.360 120.200 -0.189 0.000 2.038 250 E HA -0.270 4.080 4.350 -0.000 0.000 0.195 250 E C 2.071 178.503 176.600 -0.279 0.000 1.000 250 E CA 1.916 58.143 56.400 -0.287 0.000 0.803 250 E CB -0.278 29.296 29.700 -0.209 0.000 0.750 250 E HN 0.584 nan 8.360 nan 0.000 0.448 251 E N 0.245 120.300 120.200 -0.242 0.000 2.070 251 E HA -0.251 4.099 4.350 -0.000 0.000 0.197 251 E C 2.107 178.615 176.600 -0.154 0.000 1.004 251 E CA 1.126 57.414 56.400 -0.188 0.000 0.805 251 E CB -0.249 29.352 29.700 -0.166 0.000 0.744 251 E HN 0.397 nan 8.360 nan 0.000 0.451 252 A N 1.311 124.045 122.820 -0.145 0.000 1.902 252 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 252 A C 2.239 179.698 177.584 -0.208 0.000 1.181 252 A CA 1.106 53.073 52.037 -0.116 0.000 0.623 252 A CB -0.711 18.290 19.000 0.001 0.000 0.818 252 A HN 0.128 nan 8.150 nan 0.000 0.443 253 L N -0.534 120.446 121.223 -0.405 0.000 1.990 253 L HA -0.235 4.104 4.340 -0.000 0.000 0.213 253 L C 2.770 179.509 176.870 -0.219 0.000 1.072 253 L CA 1.755 56.357 54.840 -0.396 0.000 0.755 253 L CB -0.599 41.136 42.059 -0.539 0.000 0.889 253 L HN 0.417 nan 8.230 nan 0.000 0.432 254 E N -0.677 119.407 120.200 -0.193 0.000 2.110 254 E HA -0.213 4.137 4.350 -0.000 0.000 0.193 254 E C 2.326 178.868 176.600 -0.096 0.000 0.988 254 E CA 1.401 57.724 56.400 -0.129 0.000 0.804 254 E CB -0.209 29.418 29.700 -0.120 0.000 0.745 254 E HN 0.331 nan 8.360 nan 0.000 0.458 255 S N 0.908 116.552 115.700 -0.094 0.000 2.400 255 S HA -0.098 4.372 4.470 -0.000 0.000 0.232 255 S C 1.339 175.906 174.600 -0.056 0.000 1.025 255 S CA 0.838 58.999 58.200 -0.065 0.000 0.993 255 S CB -0.055 63.112 63.200 -0.056 0.000 0.808 255 S HN 0.186 nan 8.310 nan 0.000 0.478 256 N N 0.303 118.961 118.700 -0.071 0.000 2.279 256 N HA 0.194 4.934 4.740 -0.000 0.000 0.226 256 N C 0.809 176.286 175.510 -0.056 0.000 1.126 256 N CA 0.653 53.670 53.050 -0.055 0.000 0.846 256 N CB 0.713 39.170 38.487 -0.051 0.000 1.050 256 N HN 0.526 nan 8.380 nan 0.000 0.502 257 G N 0.283 109.047 108.800 -0.060 0.000 2.143 257 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.248 257 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.248 257 G C -0.101 174.763 174.900 -0.060 0.000 0.991 257 G CA 0.050 45.119 45.100 -0.052 0.000 0.689 257 G HN 0.184 nan 8.290 nan 0.000 0.522 258 V N 0.887 120.751 119.914 -0.084 0.000 2.417 258 V HA 0.646 4.766 4.120 -0.000 0.000 0.291 258 V C 0.492 176.525 176.094 -0.102 0.000 1.024 258 V CA -0.290 61.956 62.300 -0.091 0.000 0.861 258 V CB 1.805 33.557 31.823 -0.117 0.000 0.985 258 V HN 0.256 nan 8.190 nan 0.000 0.436 259 T N 4.435 118.942 114.554 -0.079 0.000 2.744 259 T HA 0.433 4.783 4.350 -0.000 0.000 0.291 259 T C -0.139 174.514 174.700 -0.079 0.000 0.957 259 T CA -0.265 61.789 62.100 -0.076 0.000 1.002 259 T CB 1.284 70.120 68.868 -0.054 0.000 0.919 259 T HN 0.376 nan 8.240 nan 0.000 0.468 260 V N 5.862 125.719 119.914 -0.094 0.000 2.334 260 V HA 0.213 4.333 4.120 -0.000 0.000 0.267 260 V C 1.229 177.280 176.094 -0.073 0.000 1.040 260 V CA -0.617 61.629 62.300 -0.091 0.000 0.866 260 V CB 0.993 32.744 31.823 -0.120 0.000 1.019 260 V HN 0.763 nan 8.190 nan 0.000 0.468 261 K N 3.267 123.633 120.400 -0.057 0.000 2.116 261 K HA 0.093 4.412 4.320 -0.000 0.000 0.203 261 K C 1.291 177.862 176.600 -0.048 0.000 1.052 261 K CA 0.913 57.173 56.287 -0.044 0.000 0.952 261 K CB 0.097 32.579 32.500 -0.030 0.000 0.729 261 K HN 0.733 nan 8.250 nan 0.000 0.446 262 G N 1.209 109.971 108.800 -0.064 0.000 2.582 262 G HA2 0.107 4.067 3.960 -0.000 0.000 0.232 262 G HA3 0.107 4.067 3.960 -0.000 0.000 0.232 262 G C -0.426 174.415 174.900 -0.098 0.000 1.458 262 G CA -0.438 44.616 45.100 -0.076 0.000 1.062 262 G HN 0.005 nan 8.290 nan 0.000 0.566 263 D N -0.710 119.610 120.400 -0.134 0.000 2.294 263 D HA 0.411 5.051 4.640 -0.000 0.000 0.250 263 D C -0.378 175.799 176.300 -0.205 0.000 1.058 263 D CA -0.087 53.833 54.000 -0.133 0.000 0.950 263 D CB 2.164 42.898 40.800 -0.109 0.000 1.158 263 D HN -0.008 nan 8.370 nan 0.000 0.453 264 V N 0.873 120.711 119.914 -0.126 0.000 2.370 264 V HA 0.705 4.825 4.120 -0.000 0.000 0.283 264 V C 0.783 176.837 176.094 -0.066 0.000 1.023 264 V CA -0.241 61.989 62.300 -0.118 0.000 0.857 264 V CB 1.127 32.931 31.823 -0.033 0.000 0.985 264 V HN 0.741 nan 8.190 nan 0.000 0.443 265 G N 3.805 112.546 108.800 -0.098 0.000 2.706 265 G HA2 0.680 4.640 3.960 -0.000 0.000 0.307 265 G HA3 0.680 4.640 3.960 -0.000 0.000 0.307 265 G C -1.666 173.322 174.900 0.147 0.000 1.307 265 G CA -0.888 44.235 45.100 0.039 0.000 0.790 265 G HN 0.520 nan 8.290 nan 0.000 0.503 266 L N 0.294 121.639 121.223 0.203 0.000 2.309 266 L HA 0.784 5.124 4.340 -0.000 0.000 0.282 266 L C 0.516 177.530 176.870 0.240 0.000 1.036 266 L CA -0.328 54.632 54.840 0.200 0.000 0.806 266 L CB 1.834 43.971 42.059 0.130 0.000 1.220 266 L HN 0.947 nan 8.230 nan 0.000 0.429 267 G N 0.997 109.898 108.800 0.169 0.000 2.498 267 G HA2 0.473 4.433 3.960 -0.000 0.000 0.301 267 G HA3 0.473 4.433 3.960 -0.000 0.000 0.301 267 G C -1.120 173.835 174.900 0.092 0.000 1.577 267 G CA -0.410 44.687 45.100 -0.005 0.000 0.868 267 G HN 0.765 nan 8.290 nan 0.000 0.599 268 G N -0.358 108.422 108.800 -0.033 0.000 2.400 268 G HA2 0.569 4.529 3.960 -0.000 0.000 0.301 268 G HA3 0.569 4.529 3.960 -0.000 0.000 0.301 268 G C 0.300 174.916 174.900 -0.473 0.000 1.154 268 G CA -0.470 44.554 45.100 -0.128 0.000 0.852 268 G HN 1.134 nan 8.290 nan 0.000 0.511 269 V N 4.101 123.576 119.914 -0.733 0.000 2.539 269 V HA -0.048 4.071 4.120 -0.000 0.000 0.300 269 V C -0.515 175.058 176.094 -0.869 0.000 1.019 269 V CA -0.384 61.183 62.300 -1.222 0.000 1.160 269 V CB 0.798 32.171 31.823 -0.749 0.000 0.901 269 V HN 0.695 nan 8.190 nan 0.000 0.481 270 P HA -0.327 nan 4.420 nan 0.000 0.219 270 P C 1.086 178.184 177.300 -0.337 0.000 1.159 270 P CA 2.749 65.442 63.100 -0.678 0.000 0.944 270 P CB 0.079 31.238 31.700 -0.902 0.000 0.792 271 A N -2.853 119.829 122.820 -0.230 0.000 3.523 271 A HA -0.151 4.169 4.320 -0.000 0.000 0.210 271 A C 1.230 178.826 177.584 0.020 0.000 0.811 271 A CA 0.948 52.943 52.037 -0.071 0.000 2.055 271 A CB -2.403 16.552 19.000 -0.076 0.000 0.675 271 A HN 0.449 nan 8.150 nan 0.000 0.649 272 D N -1.315 119.116 120.400 0.052 0.000 2.349 272 D HA 0.046 4.686 4.640 -0.000 0.000 0.224 272 D C -0.117 176.349 176.300 0.276 0.000 1.029 272 D CA 0.072 54.151 54.000 0.131 0.000 0.879 272 D CB -0.211 40.664 40.800 0.124 0.000 0.906 272 D HN 0.585 nan 8.370 nan 0.000 0.528 273 W N 2.823 124.096 121.300 -0.046 0.000 2.433 273 W HA 0.252 4.911 4.660 -0.000 0.000 0.331 273 W C 1.451 177.949 176.519 -0.035 0.000 1.110 273 W CA -0.923 56.395 57.345 -0.044 0.000 1.450 273 W CB 0.614 30.029 29.460 -0.075 0.000 1.348 273 W HN -0.018 nan 8.180 nan 0.000 0.415 274 Q N 0.882 120.753 119.800 0.119 0.000 2.062 274 Q HA -0.102 4.238 4.340 -0.000 0.000 0.196 274 Q C 0.075 176.096 176.000 0.035 0.000 0.967 274 Q CA 1.025 56.864 55.803 0.060 0.000 0.832 274 Q CB 0.246 29.000 28.738 0.027 0.000 0.899 274 Q HN 0.229 nan 8.270 nan 0.000 0.442 275 D N -0.120 120.276 120.400 -0.006 0.000 2.749 275 D HA 0.319 4.959 4.640 -0.000 0.000 0.338 275 D C -1.266 175.000 176.300 -0.057 0.000 1.236 275 D CA -0.232 53.754 54.000 -0.023 0.000 0.845 275 D CB 0.318 41.096 40.800 -0.036 0.000 1.080 275 D HN 0.160 nan 8.370 nan 0.000 0.497 276 A N 1.231 124.046 122.820 -0.008 0.000 2.540 276 A HA 0.245 4.564 4.320 -0.000 0.000 0.239 276 A C 0.498 178.074 177.584 -0.013 0.000 1.061 276 A CA 0.007 52.034 52.037 -0.016 0.000 0.758 276 A CB 0.321 19.458 19.000 0.229 0.000 0.991 276 A HN 0.348 nan 8.150 nan 0.000 0.502 277 E N 1.983 122.155 120.200 -0.047 0.000 2.130 277 E HA 0.408 4.758 4.350 -0.000 0.000 0.284 277 E C -0.907 175.712 176.600 0.033 0.000 1.018 277 E CA -0.224 56.166 56.400 -0.017 0.000 0.817 277 E CB 0.874 30.549 29.700 -0.041 0.000 1.078 277 E HN 0.326 nan 8.360 nan 0.000 0.396 278 V N 7.620 127.551 119.914 0.029 0.000 2.389 278 V HA 0.070 4.190 4.120 -0.000 0.000 0.264 278 V C 0.997 177.112 176.094 0.035 0.000 1.049 278 V CA 0.115 62.437 62.300 0.037 0.000 0.932 278 V CB 0.563 32.395 31.823 0.014 0.000 1.011 278 V HN 0.823 nan 8.190 nan 0.000 0.475 279 L N 4.107 125.364 121.223 0.057 0.000 2.463 279 L HA 0.505 4.845 4.340 -0.000 0.000 0.219 279 L C 0.933 177.839 176.870 0.061 0.000 1.088 279 L CA 0.660 55.535 54.840 0.058 0.000 0.849 279 L CB 0.180 42.287 42.059 0.080 0.000 1.012 279 L HN 0.718 nan 8.230 nan 0.000 0.468 280 A N -0.006 122.850 122.820 0.059 0.000 2.572 280 A HA 0.620 4.939 4.320 -0.000 0.000 0.295 280 A C -1.844 175.750 177.584 0.017 0.000 1.072 280 A CA -0.555 51.510 52.037 0.047 0.000 0.691 280 A CB 1.476 20.522 19.000 0.077 0.000 1.291 280 A HN 0.142 nan 8.150 nan 0.000 0.404 281 D N -0.767 119.644 120.400 0.017 0.000 2.579 281 D HA 0.683 5.323 4.640 -0.000 0.000 0.257 281 D C -0.862 175.479 176.300 0.068 0.000 1.176 281 D CA -0.335 53.670 54.000 0.007 0.000 0.914 281 D CB 1.003 41.785 40.800 -0.030 0.000 1.431 281 D HN 0.632 nan 8.370 nan 0.000 0.454 282 H N -1.779 117.246 119.070 -0.075 0.000 2.930 282 H HA 0.707 5.263 4.556 -0.000 0.000 0.371 282 H C -1.465 173.816 175.328 -0.078 0.000 1.169 282 H CA -0.414 55.594 56.048 -0.066 0.000 1.157 282 H CB 2.328 32.052 29.762 -0.063 0.000 1.789 282 H HN 0.370 nan 8.280 nan 0.000 0.547 283 T N 3.096 117.224 114.554 -0.710 0.000 2.840 283 T HA 0.343 4.693 4.350 -0.000 0.000 0.287 283 T C -0.242 174.077 174.700 -0.635 0.000 0.991 283 T CA -0.623 61.177 62.100 -0.501 0.000 0.964 283 T CB 0.761 69.443 68.868 -0.310 0.000 0.954 283 T HN 0.738 nan 8.240 nan 0.000 0.438 284 S N 2.882 118.379 115.700 -0.338 0.000 2.606 284 S HA 0.629 5.099 4.470 -0.000 0.000 0.257 284 S C 0.904 175.423 174.600 -0.134 0.000 1.327 284 S CA -0.606 57.492 58.200 -0.171 0.000 0.984 284 S CB 0.299 63.500 63.200 0.002 0.000 0.941 284 S HN 0.950 nan 8.310 nan 0.000 0.576 285 A N 0.542 123.319 122.820 -0.071 0.000 2.409 285 A HA 0.301 4.621 4.320 -0.000 0.000 0.246 285 A C 0.501 178.070 177.584 -0.025 0.000 1.099 285 A CA -0.288 51.726 52.037 -0.039 0.000 0.789 285 A CB -0.480 18.516 19.000 -0.007 0.000 1.053 285 A HN 0.900 nan 8.150 nan 0.000 0.503 286 E N -0.894 119.296 120.200 -0.016 0.000 2.371 286 E HA 0.203 4.553 4.350 -0.000 0.000 0.257 286 E C 0.941 177.573 176.600 0.054 0.000 1.134 286 E CA -0.523 55.869 56.400 -0.014 0.000 0.919 286 E CB 0.598 30.289 29.700 -0.016 0.000 1.025 286 E HN 0.572 nan 8.360 nan 0.000 0.438 287 L N 2.355 123.626 121.223 0.080 0.000 2.083 287 L HA -0.222 4.118 4.340 -0.000 0.000 0.209 287 L C 2.134 179.081 176.870 0.128 0.000 1.083 287 L CA 2.325 57.254 54.840 0.148 0.000 0.752 287 L CB -0.805 41.354 42.059 0.167 0.000 0.899 287 L HN 0.679 nan 8.230 nan 0.000 0.433 288 S N -0.952 114.811 115.700 0.105 0.000 2.380 288 S HA -0.236 4.233 4.470 -0.000 0.000 0.229 288 S C 1.775 176.449 174.600 0.124 0.000 1.043 288 S CA 1.461 59.731 58.200 0.117 0.000 1.038 288 S CB -0.709 62.556 63.200 0.108 0.000 0.872 288 S HN 0.610 nan 8.310 nan 0.000 0.456 289 E N 1.599 121.865 120.200 0.110 0.000 2.076 289 E HA 0.147 4.497 4.350 -0.000 0.000 0.190 289 E C 2.219 178.912 176.600 0.154 0.000 0.979 289 E CA 0.845 57.317 56.400 0.121 0.000 0.807 289 E CB -0.611 29.145 29.700 0.094 0.000 0.761 289 E HN 0.644 nan 8.360 nan 0.000 0.454 290 I N 1.193 121.841 120.570 0.130 0.000 2.335 290 I HA -0.246 3.924 4.170 -0.000 0.000 0.251 290 I C 2.379 178.645 176.117 0.250 0.000 1.129 290 I CA 0.743 62.122 61.300 0.132 0.000 1.402 290 I CB -0.340 37.682 38.000 0.036 0.000 1.069 290 I HN 0.046 nan 8.210 nan 0.000 0.424 291 L N 0.105 121.476 121.223 0.247 0.000 2.129 291 L HA -0.232 4.108 4.340 -0.000 0.000 0.212 291 L C 2.570 179.577 176.870 0.227 0.000 1.087 291 L CA 1.132 56.153 54.840 0.302 0.000 0.757 291 L CB -0.541 41.647 42.059 0.214 0.000 0.896 291 L HN 0.136 nan 8.230 nan 0.000 0.434 292 V N 0.580 120.611 119.914 0.196 0.000 2.216 292 V HA -0.179 3.941 4.120 -0.000 0.000 0.243 292 V C -0.192 175.987 176.094 0.141 0.000 1.044 292 V CA 2.229 64.611 62.300 0.138 0.000 0.995 292 V CB -1.860 30.083 31.823 0.200 0.000 0.633 292 V HN 0.362 nan 8.190 nan 0.000 0.446 293 P HA -0.211 nan 4.420 nan 0.000 0.221 293 P C 1.724 179.298 177.300 0.457 0.000 1.145 293 P CA 1.714 65.106 63.100 0.488 0.000 0.795 293 P CB -0.189 32.015 31.700 0.840 0.000 0.775 294 F N 0.383 120.523 119.950 0.317 0.000 2.084 294 F HA -0.132 4.395 4.527 -0.000 0.000 0.296 294 F C 2.088 177.934 175.800 0.077 0.000 1.111 294 F CA 1.261 59.436 58.000 0.292 0.000 1.224 294 F CB -0.183 39.014 39.000 0.329 0.000 0.991 294 F HN -0.288 nan 8.300 nan 0.000 0.471 295 M N -0.026 119.406 119.600 -0.280 0.000 2.486 295 M HA -0.012 4.468 4.480 -0.000 0.000 0.264 295 M C 1.779 177.840 176.300 -0.398 0.000 1.125 295 M CA 0.685 55.678 55.300 -0.512 0.000 1.144 295 M CB -0.622 31.669 32.600 -0.514 0.000 1.353 295 M HN 0.065 nan 8.290 nan 0.000 0.466 296 K N 0.529 120.654 120.400 -0.458 0.000 2.057 296 K HA -0.046 4.274 4.320 -0.000 0.000 0.207 296 K C 1.447 177.615 176.600 -0.721 0.000 1.049 296 K CA 1.412 57.278 56.287 -0.702 0.000 0.931 296 K CB -0.258 31.587 32.500 -1.091 0.000 0.714 296 K HN 0.307 nan 8.250 nan 0.000 0.440 297 F N -0.035 119.827 119.950 -0.146 0.000 2.678 297 F HA 0.266 4.793 4.527 -0.000 0.000 0.305 297 F C 0.524 176.265 175.800 -0.098 0.000 1.090 297 F CA -0.605 57.315 58.000 -0.134 0.000 1.272 297 F CB 0.087 38.998 39.000 -0.148 0.000 1.060 297 F HN -0.249 nan 8.300 nan 0.000 0.576 298 S N 1.279 116.973 115.700 -0.010 0.000 3.886 298 S HA -0.280 4.190 4.470 -0.000 0.000 0.398 298 S C 0.027 174.681 174.600 0.089 0.000 0.931 298 S CA -0.012 58.173 58.200 -0.026 0.000 1.217 298 S CB -1.865 61.308 63.200 -0.045 0.000 0.874 298 S HN 0.603 nan 8.310 nan 0.000 0.521 299 N N 1.308 120.123 118.700 0.192 0.000 2.401 299 N HA 0.290 5.030 4.740 -0.000 0.000 0.255 299 N C 1.119 176.786 175.510 0.262 0.000 1.110 299 N CA -0.534 52.605 53.050 0.149 0.000 0.949 299 N CB 0.396 38.787 38.487 -0.159 0.000 1.110 299 N HN 0.324 nan 8.380 nan 0.000 0.490 300 N N 2.377 121.183 118.700 0.177 0.000 2.188 300 N HA -0.075 4.665 4.740 -0.000 0.000 0.184 300 N C 1.743 177.400 175.510 0.244 0.000 1.018 300 N CA 0.985 54.159 53.050 0.207 0.000 0.858 300 N CB -0.294 38.260 38.487 0.111 0.000 0.989 300 N HN 0.677 nan 8.380 nan 0.000 0.426 301 G N 0.252 109.170 108.800 0.198 0.000 2.408 301 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.217 301 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.217 301 G C 1.206 176.251 174.900 0.242 0.000 1.150 301 G CA 0.673 45.914 45.100 0.235 0.000 0.776 301 G HN 0.325 nan 8.290 nan 0.000 0.542 302 H N 1.255 120.340 119.070 0.026 0.000 2.290 302 H HA -0.005 4.551 4.556 -0.000 0.000 0.298 302 H C 2.901 177.985 175.328 -0.407 0.000 1.087 302 H CA 1.169 57.072 56.048 -0.241 0.000 1.291 302 H CB -0.856 28.683 29.762 -0.371 0.000 1.369 302 H HN 0.352 nan 8.280 nan 0.000 0.492 303 A N 1.370 124.133 122.820 -0.095 0.000 1.873 303 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 303 A C 2.274 179.927 177.584 0.115 0.000 1.193 303 A CA 2.030 54.103 52.037 0.060 0.000 0.629 303 A CB -0.248 19.009 19.000 0.429 0.000 0.826 303 A HN 0.354 nan 8.150 nan 0.000 0.447 304 E N -0.437 119.894 120.200 0.219 0.000 2.150 304 E HA -0.120 4.230 4.350 -0.000 0.000 0.193 304 E C 2.078 178.661 176.600 -0.029 0.000 0.985 304 E CA 1.135 57.689 56.400 0.257 0.000 0.814 304 E CB -0.485 29.521 29.700 0.511 0.000 0.752 304 E HN 0.745 nan 8.360 nan 0.000 0.466 305 M N 0.251 119.848 119.600 -0.006 0.000 2.132 305 M HA -0.098 4.382 4.480 -0.000 0.000 0.263 305 M C 2.407 178.648 176.300 -0.099 0.000 1.065 305 M CA 1.126 56.418 55.300 -0.014 0.000 1.122 305 M CB -0.314 32.344 32.600 0.097 0.000 1.365 305 M HN 0.052 nan 8.290 nan 0.000 0.411 306 L N -0.456 120.695 121.223 -0.120 0.000 2.013 306 L HA -0.237 4.103 4.340 -0.000 0.000 0.212 306 L C 2.459 179.283 176.870 -0.076 0.000 1.073 306 L CA 1.190 55.983 54.840 -0.079 0.000 0.753 306 L CB -0.824 41.167 42.059 -0.113 0.000 0.890 306 L HN 0.163 nan 8.230 nan 0.000 0.432 307 V N -0.109 119.750 119.914 -0.091 0.000 2.332 307 V HA -0.308 3.812 4.120 -0.000 0.000 0.248 307 V C 2.479 178.404 176.094 -0.282 0.000 1.055 307 V CA 1.834 64.075 62.300 -0.099 0.000 1.038 307 V CB -0.513 31.323 31.823 0.022 0.000 0.651 307 V HN 0.440 nan 8.190 nan 0.000 0.450 308 K N -0.231 119.823 120.400 -0.576 0.000 2.062 308 K HA -0.090 4.229 4.320 -0.000 0.000 0.205 308 K C 2.443 178.656 176.600 -0.645 0.000 1.051 308 K CA 1.444 57.160 56.287 -0.953 0.000 0.941 308 K CB -0.293 31.094 32.500 -1.854 0.000 0.719 308 K HN 0.375 nan 8.250 nan 0.000 0.440 309 S N 1.709 117.255 115.700 -0.258 0.000 2.365 309 S HA -0.171 4.299 4.470 -0.000 0.000 0.225 309 S C 1.970 176.586 174.600 0.026 0.000 1.039 309 S CA 1.295 59.616 58.200 0.201 0.000 1.033 309 S CB -0.294 63.154 63.200 0.413 0.000 0.887 309 S HN 0.213 nan 8.310 nan 0.000 0.447 310 I N 1.304 121.846 120.570 -0.046 0.000 2.335 310 I HA -0.194 3.976 4.170 -0.000 0.000 0.251 310 I C 2.514 178.579 176.117 -0.087 0.000 1.129 310 I CA 1.103 62.370 61.300 -0.056 0.000 1.402 310 I CB -0.647 37.329 38.000 -0.040 0.000 1.069 310 I HN 0.382 nan 8.210 nan 0.000 0.424 311 G N -0.510 108.199 108.800 -0.151 0.000 2.414 311 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.215 311 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.215 311 G C 1.513 176.302 174.900 -0.186 0.000 1.188 311 G CA 0.201 45.196 45.100 -0.175 0.000 0.783 311 G HN 0.234 nan 8.290 nan 0.000 0.537 312 Q N 0.127 119.780 119.800 -0.244 0.000 2.096 312 Q HA -0.184 4.156 4.340 -0.000 0.000 0.208 312 Q C 2.440 178.346 176.000 -0.158 0.000 0.993 312 Q CA 1.934 57.544 55.803 -0.323 0.000 0.862 312 Q CB -0.312 28.077 28.738 -0.582 0.000 0.915 312 Q HN 0.560 nan 8.270 nan 0.000 0.416 313 E N -0.276 119.887 120.200 -0.062 0.000 2.046 313 E HA -0.095 4.254 4.350 -0.000 0.000 0.190 313 E C 1.801 178.384 176.600 -0.028 0.000 0.982 313 E CA 1.939 58.333 56.400 -0.010 0.000 0.800 313 E CB -0.173 29.523 29.700 -0.006 0.000 0.756 313 E HN 0.448 nan 8.360 nan 0.000 0.449 314 T N -3.114 111.414 114.554 -0.044 0.000 3.081 314 T HA 0.369 4.719 4.350 -0.000 0.000 0.255 314 T C 1.195 175.870 174.700 -0.042 0.000 1.113 314 T CA 0.588 62.667 62.100 -0.034 0.000 1.082 314 T CB 0.494 69.344 68.868 -0.030 0.000 0.939 314 T HN 0.142 nan 8.240 nan 0.000 0.506 315 A N -0.166 122.615 122.820 -0.064 0.000 2.733 315 A HA 0.689 5.009 4.320 -0.000 0.000 0.232 315 A C 1.583 179.115 177.584 -0.086 0.000 1.251 315 A CA 0.342 52.339 52.037 -0.067 0.000 1.015 315 A CB -0.309 18.649 19.000 -0.069 0.000 1.291 315 A HN 1.218 nan 8.150 nan 0.000 0.595 316 G N -0.495 108.237 108.800 -0.113 0.000 2.225 316 G HA2 0.153 4.112 3.960 -0.000 0.000 0.267 316 G HA3 0.153 4.112 3.960 -0.000 0.000 0.267 316 G C 0.311 175.093 174.900 -0.195 0.000 1.024 316 G CA 0.600 45.608 45.100 -0.155 0.000 0.784 316 G HN 1.961 nan 8.290 nan 0.000 0.507 317 A N -0.387 122.311 122.820 -0.203 0.000 2.357 317 A HA 0.778 5.098 4.320 -0.000 0.000 0.295 317 A C 0.541 177.971 177.584 -0.255 0.000 1.121 317 A CA 0.405 52.322 52.037 -0.201 0.000 0.742 317 A CB 1.380 20.298 19.000 -0.136 0.000 1.181 317 A HN 1.643 nan 8.150 nan 0.000 0.454 318 G N 2.541 111.170 108.800 -0.286 0.000 3.343 318 G HA2 0.456 4.415 3.960 -0.000 0.000 0.264 318 G HA3 0.456 4.415 3.960 -0.000 0.000 0.264 318 G C 0.287 174.945 174.900 -0.402 0.000 0.884 318 G CA 0.597 45.494 45.100 -0.339 0.000 1.916 318 G HN 1.135 nan 8.290 nan 0.000 0.618 319 T N -3.432 110.892 114.554 -0.383 0.000 2.883 319 T HA 0.365 4.715 4.350 -0.000 0.000 0.296 319 T C 0.597 175.102 174.700 -0.326 0.000 1.117 319 T CA -0.929 60.970 62.100 -0.335 0.000 1.006 319 T CB 1.668 70.441 68.868 -0.158 0.000 1.191 319 T HN 0.184 nan 8.240 nan 0.000 0.508 320 W N 0.811 122.003 121.300 -0.181 0.000 2.381 320 W HA -0.027 4.633 4.660 -0.000 0.000 0.301 320 W C 1.521 177.965 176.519 -0.124 0.000 1.205 320 W CA 1.360 58.609 57.345 -0.160 0.000 1.285 320 W CB -0.676 28.685 29.460 -0.166 0.000 1.133 320 W HN 0.785 nan 8.180 nan 0.000 0.521 321 D N -0.097 120.370 120.400 0.111 0.000 2.092 321 D HA -0.147 4.493 4.640 -0.000 0.000 0.193 321 D C 2.247 178.549 176.300 0.003 0.000 0.994 321 D CA 2.171 56.196 54.000 0.042 0.000 0.828 321 D CB -0.797 40.013 40.800 0.015 0.000 0.963 321 D HN 0.015 nan 8.370 nan 0.000 0.450 322 A N 0.595 123.394 122.820 -0.035 0.000 1.897 322 A HA 0.052 4.372 4.320 -0.000 0.000 0.215 322 A C 2.370 179.918 177.584 -0.060 0.000 1.181 322 A CA 1.938 53.941 52.037 -0.057 0.000 0.620 322 A CB -0.998 17.949 19.000 -0.089 0.000 0.821 322 A HN 0.298 nan 8.150 nan 0.000 0.443 323 G N -0.379 108.369 108.800 -0.085 0.000 2.418 323 G HA2 -0.101 3.858 3.960 -0.000 0.000 0.217 323 G HA3 -0.101 3.858 3.960 -0.000 0.000 0.217 323 G C 1.350 176.245 174.900 -0.008 0.000 1.158 323 G CA 1.132 46.184 45.100 -0.081 0.000 0.771 323 G HN 0.330 nan 8.290 nan 0.000 0.545 324 L N 0.564 121.807 121.223 0.033 0.000 2.109 324 L HA 0.085 4.425 4.340 -0.000 0.000 0.207 324 L C 3.118 180.001 176.870 0.023 0.000 1.086 324 L CA 0.627 55.498 54.840 0.051 0.000 0.760 324 L CB -0.858 41.243 42.059 0.071 0.000 0.910 324 L HN 0.095 nan 8.230 nan 0.000 0.437 325 V N -0.005 119.914 119.914 0.008 0.000 2.324 325 V HA -0.274 3.846 4.120 -0.000 0.000 0.250 325 V C 2.555 178.650 176.094 0.002 0.000 1.060 325 V CA 1.945 64.245 62.300 -0.000 0.000 1.042 325 V CB -1.369 30.448 31.823 -0.009 0.000 0.650 325 V HN 0.567 nan 8.190 nan 0.000 0.450 326 G N -0.628 108.170 108.800 -0.003 0.000 2.402 326 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.216 326 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.216 326 G C 1.665 176.575 174.900 0.017 0.000 1.162 326 G CA 1.098 46.196 45.100 -0.003 0.000 0.777 326 G HN 0.377 nan 8.290 nan 0.000 0.539 327 V N 0.838 120.770 119.914 0.030 0.000 2.255 327 V HA -0.184 3.936 4.120 -0.000 0.000 0.247 327 V C 2.755 178.888 176.094 0.064 0.000 1.051 327 V CA 2.201 64.537 62.300 0.060 0.000 1.018 327 V CB -0.311 31.563 31.823 0.085 0.000 0.641 327 V HN 0.438 nan 8.190 nan 0.000 0.445 328 E N 0.321 120.547 120.200 0.042 0.000 2.077 328 E HA -0.272 4.078 4.350 -0.000 0.000 0.193 328 E C 2.175 178.796 176.600 0.036 0.000 0.989 328 E CA 1.873 58.292 56.400 0.032 0.000 0.800 328 E CB -0.065 29.640 29.700 0.007 0.000 0.746 328 E HN 0.713 nan 8.360 nan 0.000 0.452 329 E N -0.062 120.154 120.200 0.027 0.000 2.110 329 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 329 E C 1.961 178.582 176.600 0.036 0.000 0.988 329 E CA 1.241 57.656 56.400 0.025 0.000 0.804 329 E CB -0.145 29.564 29.700 0.014 0.000 0.745 329 E HN 0.357 nan 8.360 nan 0.000 0.458 330 A N 0.535 123.381 122.820 0.043 0.000 1.902 330 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 330 A C 2.131 179.760 177.584 0.075 0.000 1.181 330 A CA 1.027 53.097 52.037 0.055 0.000 0.623 330 A CB -0.610 18.420 19.000 0.050 0.000 0.818 330 A HN 0.176 nan 8.150 nan 0.000 0.443 331 L N -0.520 120.758 121.223 0.092 0.000 2.046 331 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 331 L C 2.954 179.877 176.870 0.087 0.000 1.077 331 L CA 1.600 56.511 54.840 0.118 0.000 0.747 331 L CB -0.457 41.705 42.059 0.172 0.000 0.896 331 L HN 0.527 nan 8.230 nan 0.000 0.432 332 S N 0.107 115.846 115.700 0.066 0.000 2.382 332 S HA -0.146 4.324 4.470 -0.000 0.000 0.228 332 S C 1.994 176.618 174.600 0.039 0.000 1.027 332 S CA 1.410 59.638 58.200 0.046 0.000 0.991 332 S CB -0.473 62.747 63.200 0.033 0.000 0.823 332 S HN 0.510 nan 8.310 nan 0.000 0.469 333 G N 0.715 109.539 108.800 0.041 0.000 2.471 333 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.219 333 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.219 333 G C 1.237 176.158 174.900 0.035 0.000 1.125 333 G CA 0.765 45.886 45.100 0.035 0.000 0.775 333 G HN 0.528 nan 8.290 nan 0.000 0.548 334 L N 0.341 121.592 121.223 0.047 0.000 2.554 334 L HA 0.371 4.710 4.340 -0.000 0.000 0.226 334 L C 1.826 178.702 176.870 0.010 0.000 1.137 334 L CA 1.258 56.121 54.840 0.038 0.000 0.863 334 L CB -0.017 42.086 42.059 0.074 0.000 0.985 334 L HN 0.365 nan 8.230 nan 0.000 0.451 335 G N -1.331 107.481 108.800 0.020 0.000 2.163 335 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.213 335 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.213 335 G C 0.037 174.953 174.900 0.026 0.000 0.991 335 G CA 0.015 45.123 45.100 0.013 0.000 0.653 335 G HN 0.165 nan 8.290 nan 0.000 0.518 336 V N 1.622 121.563 119.914 0.046 0.000 2.432 336 V HA 0.433 4.553 4.120 -0.000 0.000 0.275 336 V C 0.372 176.503 176.094 0.063 0.000 1.043 336 V CA -0.609 61.732 62.300 0.069 0.000 0.925 336 V CB 1.695 33.588 31.823 0.116 0.000 0.985 336 V HN 0.345 nan 8.190 nan 0.000 0.466 337 D N 3.970 124.403 120.400 0.055 0.000 2.346 337 D HA 0.029 4.669 4.640 -0.000 0.000 0.260 337 D C 1.180 177.506 176.300 0.044 0.000 1.252 337 D CA 0.165 54.190 54.000 0.041 0.000 0.895 337 D CB 1.324 42.144 40.800 0.033 0.000 1.097 337 D HN 0.745 nan 8.370 nan 0.000 0.489 338 T N 0.926 115.498 114.554 0.029 0.000 3.206 338 T HA 0.338 4.688 4.350 -0.000 0.000 0.253 338 T C 1.628 176.320 174.700 -0.014 0.000 1.042 338 T CA 0.170 62.274 62.100 0.007 0.000 0.931 338 T CB 0.301 69.172 68.868 0.005 0.000 1.029 338 T HN 0.251 nan 8.240 nan 0.000 0.564 339 A N 1.709 124.527 122.820 -0.003 0.000 1.940 339 A HA 0.198 4.518 4.320 -0.000 0.000 0.219 339 A C 2.377 179.951 177.584 -0.018 0.000 1.176 339 A CA 1.469 53.501 52.037 -0.008 0.000 0.631 339 A CB -1.231 17.769 19.000 -0.000 0.000 0.814 339 A HN 0.653 nan 8.150 nan 0.000 0.446 340 G N -1.532 107.256 108.800 -0.020 0.000 3.189 340 G HA2 0.417 4.377 3.960 -0.000 0.000 0.225 340 G HA3 0.417 4.377 3.960 -0.000 0.000 0.225 340 G C 0.280 175.144 174.900 -0.060 0.000 1.159 340 G CA -0.334 44.749 45.100 -0.028 0.000 0.763 340 G HN 0.353 nan 8.290 nan 0.000 0.549 341 L N 1.349 122.519 121.223 -0.089 0.000 2.292 341 L HA 0.465 4.805 4.340 -0.000 0.000 0.284 341 L C -0.633 176.172 176.870 -0.109 0.000 1.065 341 L CA -0.595 54.154 54.840 -0.151 0.000 0.806 341 L CB 2.130 44.058 42.059 -0.220 0.000 1.175 341 L HN -0.190 nan 8.230 nan 0.000 0.431 342 V N 5.386 125.233 119.914 -0.111 0.000 2.407 342 V HA 0.321 4.441 4.120 -0.000 0.000 0.291 342 V C -0.377 175.661 176.094 -0.094 0.000 1.018 342 V CA -0.548 61.702 62.300 -0.083 0.000 0.842 342 V CB 1.765 33.553 31.823 -0.060 0.000 0.996 342 V HN 0.415 nan 8.190 nan 0.000 0.426 343 L N 4.541 125.716 121.223 -0.080 0.000 2.262 343 L HA 0.489 4.828 4.340 -0.000 0.000 0.288 343 L C 0.919 177.757 176.870 -0.053 0.000 1.035 343 L CA 0.309 55.112 54.840 -0.062 0.000 0.820 343 L CB 0.874 42.909 42.059 -0.040 0.000 1.204 343 L HN 0.557 nan 8.230 nan 0.000 0.424 344 N N 0.759 119.421 118.700 -0.064 0.000 2.294 344 N HA 0.040 4.780 4.740 -0.000 0.000 0.186 344 N C -0.472 174.928 175.510 -0.184 0.000 1.107 344 N CA 0.286 53.268 53.050 -0.113 0.000 0.884 344 N CB 0.634 39.053 38.487 -0.112 0.000 1.030 344 N HN 0.799 nan 8.380 nan 0.000 0.482 345 D N -3.505 116.849 120.400 -0.077 0.000 2.838 345 D HA 0.298 4.937 4.640 -0.000 0.000 0.334 345 D C 0.666 177.055 176.300 0.147 0.000 1.315 345 D CA -0.503 53.471 54.000 -0.043 0.000 0.917 345 D CB 0.282 41.054 40.800 -0.048 0.000 1.435 345 D HN -0.113 nan 8.370 nan 0.000 0.517 346 G N -1.320 107.646 108.800 0.277 0.000 2.762 346 G HA2 0.076 4.036 3.960 -0.000 0.000 0.209 346 G HA3 0.076 4.036 3.960 -0.000 0.000 0.209 346 G C 1.021 176.102 174.900 0.301 0.000 1.134 346 G CA 0.709 45.981 45.100 0.286 0.000 0.781 346 G HN 0.556 nan 8.290 nan 0.000 0.528 347 S N -0.858 115.023 115.700 0.302 0.000 2.486 347 S HA 0.361 4.830 4.470 -0.000 0.000 0.220 347 S C 1.885 176.576 174.600 0.152 0.000 1.011 347 S CA 1.101 59.453 58.200 0.255 0.000 0.921 347 S CB 0.153 63.496 63.200 0.239 0.000 0.785 347 S HN 1.391 nan 8.310 nan 0.000 0.517 348 G N 1.234 110.115 108.800 0.135 0.000 2.157 348 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.248 348 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.248 348 G C 0.475 175.367 174.900 -0.012 0.000 0.979 348 G CA 0.370 45.508 45.100 0.063 0.000 0.650 348 G HN 0.474 nan 8.290 nan 0.000 0.529 349 L N 0.709 121.911 121.223 -0.034 0.000 2.093 349 L HA 0.157 4.496 4.340 -0.000 0.000 0.208 349 L C 1.964 178.711 176.870 -0.205 0.000 1.085 349 L CA 1.584 56.278 54.840 -0.244 0.000 0.755 349 L CB -0.435 41.263 42.059 -0.601 0.000 0.904 349 L HN 0.453 nan 8.230 nan 0.000 0.435 350 S N 0.034 115.793 115.700 0.099 0.000 2.549 350 S HA -0.007 4.463 4.470 -0.000 0.000 0.286 350 S C 1.045 175.622 174.600 -0.039 0.000 1.314 350 S CA -0.245 58.037 58.200 0.137 0.000 1.062 350 S CB 0.556 63.850 63.200 0.156 0.000 0.865 350 S HN 0.306 nan 8.310 nan 0.000 0.498 351 R N 3.141 123.588 120.500 -0.089 0.000 2.335 351 R HA 0.104 4.444 4.340 -0.000 0.000 0.223 351 R C 1.658 177.941 176.300 -0.028 0.000 0.940 351 R CA 0.459 56.512 56.100 -0.078 0.000 1.086 351 R CB -0.233 30.015 30.300 -0.086 0.000 1.073 351 R HN 0.758 nan 8.270 nan 0.000 0.504 352 G N -0.039 108.745 108.800 -0.027 0.000 3.088 352 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.217 352 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.217 352 G C 0.282 175.159 174.900 -0.038 0.000 1.159 352 G CA -0.305 44.776 45.100 -0.032 0.000 0.760 352 G HN 0.136 nan 8.290 nan 0.000 0.550 353 N N 0.497 119.176 118.700 -0.034 0.000 2.524 353 N HA 0.510 5.250 4.740 -0.000 0.000 0.283 353 N C -0.794 174.689 175.510 -0.044 0.000 1.142 353 N CA 0.085 53.110 53.050 -0.041 0.000 0.984 353 N CB 1.974 40.445 38.487 -0.026 0.000 1.155 353 N HN 0.002 nan 8.380 nan 0.000 0.467 354 L N 1.016 122.200 121.223 -0.066 0.000 2.431 354 L HA 0.574 4.913 4.340 -0.000 0.000 0.266 354 L C -0.141 176.665 176.870 -0.106 0.000 0.978 354 L CA -0.980 53.823 54.840 -0.062 0.000 0.822 354 L CB 2.060 44.090 42.059 -0.048 0.000 1.310 354 L HN 0.263 nan 8.230 nan 0.000 0.409 355 V N -1.068 118.802 119.914 -0.074 0.000 3.158 355 V HA 0.908 5.028 4.120 -0.000 0.000 0.311 355 V C -0.280 175.807 176.094 -0.011 0.000 1.181 355 V CA -0.486 61.763 62.300 -0.085 0.000 1.054 355 V CB 2.008 33.814 31.823 -0.029 0.000 1.085 355 V HN 0.833 nan 8.190 nan 0.000 0.446 356 T N -2.351 112.216 114.554 0.023 0.000 2.926 356 T HA 0.792 5.142 4.350 -0.000 0.000 0.289 356 T C 0.850 175.602 174.700 0.087 0.000 1.054 356 T CA -0.101 62.028 62.100 0.048 0.000 1.015 356 T CB 1.691 70.580 68.868 0.036 0.000 1.167 356 T HN 1.630 nan 8.240 nan 0.000 0.526 357 A N 0.437 123.305 122.820 0.080 0.000 1.968 357 A HA 0.067 4.387 4.320 -0.000 0.000 0.217 357 A C 1.866 179.503 177.584 0.087 0.000 1.169 357 A CA 1.197 53.288 52.037 0.089 0.000 0.638 357 A CB -0.916 18.136 19.000 0.087 0.000 0.812 357 A HN 0.876 nan 8.150 nan 0.000 0.446 358 D N 0.022 120.468 120.400 0.077 0.000 2.084 358 D HA -0.110 4.530 4.640 -0.000 0.000 0.194 358 D C 2.048 178.403 176.300 0.090 0.000 0.990 358 D CA 2.003 56.045 54.000 0.070 0.000 0.826 358 D CB -0.756 40.076 40.800 0.053 0.000 0.971 358 D HN 0.387 nan 8.370 nan 0.000 0.453 359 T N 0.904 115.525 114.554 0.111 0.000 2.665 359 T HA -0.143 4.207 4.350 -0.000 0.000 0.268 359 T C 2.267 177.120 174.700 0.256 0.000 1.035 359 T CA 1.222 63.425 62.100 0.173 0.000 1.151 359 T CB -0.547 68.412 68.868 0.151 0.000 0.862 359 T HN -0.021 nan 8.240 nan 0.000 0.438 360 V N 1.021 121.086 119.914 0.252 0.000 2.295 360 V HA -0.145 3.974 4.120 -0.000 0.000 0.246 360 V C 2.707 178.811 176.094 0.016 0.000 1.049 360 V CA 1.373 63.772 62.300 0.165 0.000 1.024 360 V CB -0.750 31.143 31.823 0.116 0.000 0.648 360 V HN 0.321 nan 8.190 nan 0.000 0.447 361 V N 0.351 120.278 119.914 0.022 0.000 2.407 361 V HA -0.258 3.861 4.120 -0.000 0.000 0.248 361 V C 2.378 178.484 176.094 0.020 0.000 1.055 361 V CA 2.209 64.505 62.300 -0.007 0.000 1.049 361 V CB -0.676 31.161 31.823 0.023 0.000 0.662 361 V HN 0.607 nan 8.190 nan 0.000 0.455 362 D N 0.120 120.550 120.400 0.051 0.000 2.104 362 D HA -0.191 4.449 4.640 -0.000 0.000 0.194 362 D C 2.038 178.362 176.300 0.040 0.000 0.994 362 D CA 1.607 55.639 54.000 0.053 0.000 0.830 362 D CB -0.198 40.646 40.800 0.074 0.000 0.959 362 D HN 0.325 nan 8.370 nan 0.000 0.452 363 L N 0.428 121.676 121.223 0.041 0.000 1.989 363 L HA -0.137 4.203 4.340 -0.000 0.000 0.211 363 L C 2.409 179.264 176.870 -0.024 0.000 1.071 363 L CA 1.545 56.372 54.840 -0.021 0.000 0.749 363 L CB -0.654 41.308 42.059 -0.161 0.000 0.890 363 L HN 0.127 nan 8.230 nan 0.000 0.431 364 L N -0.536 120.687 121.223 -0.000 0.000 2.129 364 L HA -0.197 4.143 4.340 -0.000 0.000 0.212 364 L C 2.382 179.370 176.870 0.197 0.000 1.087 364 L CA 1.296 56.181 54.840 0.075 0.000 0.757 364 L CB -1.217 40.717 42.059 -0.210 0.000 0.896 364 L HN 0.542 nan 8.230 nan 0.000 0.434 365 G N -1.868 106.988 108.800 0.093 0.000 2.459 365 G HA2 -0.125 3.834 3.960 -0.000 0.000 0.213 365 G HA3 -0.125 3.834 3.960 -0.000 0.000 0.213 365 G C 1.501 176.404 174.900 0.004 0.000 1.155 365 G CA -0.122 45.031 45.100 0.088 0.000 0.811 365 G HN 0.191 nan 8.290 nan 0.000 0.534 366 Q N 0.752 120.530 119.800 -0.038 0.000 2.167 366 Q HA 0.086 4.426 4.340 -0.000 0.000 0.202 366 Q C 2.807 178.661 176.000 -0.244 0.000 0.970 366 Q CA 1.251 56.990 55.803 -0.106 0.000 0.855 366 Q CB -0.507 28.190 28.738 -0.068 0.000 0.911 366 Q HN 0.441 nan 8.270 nan 0.000 0.438 367 A N 0.469 123.123 122.820 -0.277 0.000 2.014 367 A HA 0.026 4.346 4.320 -0.000 0.000 0.218 367 A C 2.196 179.476 177.584 -0.506 0.000 1.163 367 A CA 1.349 53.028 52.037 -0.596 0.000 0.652 367 A CB -0.648 17.846 19.000 -0.844 0.000 0.808 367 A HN 0.410 nan 8.150 nan 0.000 0.449 368 G N -0.430 108.267 108.800 -0.171 0.000 2.650 368 G HA2 0.042 4.002 3.960 -0.000 0.000 0.214 368 G HA3 0.042 4.002 3.960 -0.000 0.000 0.214 368 G C 1.425 176.210 174.900 -0.192 0.000 1.136 368 G CA 1.362 46.391 45.100 -0.118 0.000 0.789 368 G HN 0.842 nan 8.290 nan 0.000 0.536 369 S N -1.036 114.506 115.700 -0.262 0.000 2.603 369 S HA 0.638 5.108 4.470 -0.000 0.000 0.232 369 S C 1.106 175.489 174.600 -0.361 0.000 1.016 369 S CA 0.415 58.470 58.200 -0.240 0.000 0.976 369 S CB 0.494 63.596 63.200 -0.164 0.000 0.921 369 S HN 0.461 nan 8.310 nan 0.000 0.516 370 A N 2.823 125.267 122.820 -0.628 0.000 2.425 370 A HA 0.556 4.876 4.320 -0.000 0.000 0.242 370 A C -1.189 175.952 177.584 -0.738 0.000 1.077 370 A CA -1.199 50.268 52.037 -0.950 0.000 0.781 370 A CB -0.140 17.591 19.000 -2.115 0.000 1.020 370 A HN 0.270 nan 8.150 nan 0.000 0.494 371 P HA -0.099 nan 4.420 nan 0.000 0.220 371 P C 0.940 178.175 177.300 -0.108 0.000 1.148 371 P CA 1.292 64.248 63.100 -0.239 0.000 0.803 371 P CB -0.000 31.641 31.700 -0.097 0.000 0.782 372 W N -2.012 119.287 121.300 -0.002 0.000 3.388 372 W HA 0.584 5.244 4.660 -0.000 0.000 0.324 372 W C 1.098 177.662 176.519 0.075 0.000 1.250 372 W CA 0.054 57.422 57.345 0.038 0.000 1.809 372 W CB -1.184 28.303 29.460 0.045 0.000 1.083 372 W HN -0.128 nan 8.180 nan 0.000 0.685 373 A N 1.571 124.419 122.820 0.045 0.000 1.958 373 A HA -0.316 4.004 4.320 -0.000 0.000 0.221 373 A C 2.254 180.006 177.584 0.280 0.000 1.178 373 A CA 2.121 54.222 52.037 0.107 0.000 0.642 373 A CB -0.792 18.140 19.000 -0.114 0.000 0.816 373 A HN 0.393 nan 8.150 nan 0.000 0.453 374 Q N -0.769 119.146 119.800 0.191 0.000 2.049 374 Q HA -0.149 4.191 4.340 -0.000 0.000 0.198 374 Q C 2.456 178.575 176.000 0.197 0.000 0.971 374 Q CA 2.375 58.269 55.803 0.151 0.000 0.833 374 Q CB -0.413 28.381 28.738 0.094 0.000 0.896 374 Q HN 0.844 nan 8.270 nan 0.000 0.434 375 T N -1.205 113.496 114.554 0.245 0.000 2.720 375 T HA -0.190 4.159 4.350 -0.000 0.000 0.268 375 T C 1.604 176.469 174.700 0.275 0.000 1.037 375 T CA 1.259 63.496 62.100 0.228 0.000 1.144 375 T CB -0.929 68.075 68.868 0.225 0.000 0.864 375 T HN 0.556 nan 8.240 nan 0.000 0.444 376 W N 2.806 124.229 121.300 0.206 0.000 2.332 376 W HA -0.246 4.414 4.660 -0.000 0.000 0.321 376 W C 2.523 179.122 176.519 0.134 0.000 1.219 376 W CA 2.558 60.026 57.345 0.205 0.000 1.277 376 W CB -0.890 28.837 29.460 0.445 0.000 1.161 376 W HN 0.527 nan 8.180 nan 0.000 0.476 377 S N 1.052 116.857 115.700 0.175 0.000 2.423 377 S HA -0.079 4.391 4.470 -0.000 0.000 0.231 377 S C 2.013 176.579 174.600 -0.056 0.000 1.014 377 S CA 1.321 59.497 58.200 -0.040 0.000 0.965 377 S CB -0.836 62.347 63.200 -0.028 0.000 0.785 377 S HN 0.308 nan 8.310 nan 0.000 0.495 378 A N 1.939 124.763 122.820 0.008 0.000 2.066 378 A HA 0.065 4.385 4.320 -0.000 0.000 0.218 378 A C 2.429 179.992 177.584 -0.036 0.000 1.157 378 A CA 1.453 53.491 52.037 0.003 0.000 0.670 378 A CB -0.949 18.079 19.000 0.047 0.000 0.804 378 A HN 0.815 nan 8.150 nan 0.000 0.453 379 S N -0.486 115.169 115.700 -0.075 0.000 2.461 379 S HA 0.160 4.630 4.470 -0.000 0.000 0.228 379 S C 0.702 175.171 174.600 -0.218 0.000 1.005 379 S CA -0.120 58.009 58.200 -0.118 0.000 0.942 379 S CB -0.601 62.531 63.200 -0.114 0.000 0.776 379 S HN 0.383 nan 8.310 nan 0.000 0.514 380 L N 2.382 123.454 121.223 -0.251 0.000 2.426 380 L HA 0.357 4.697 4.340 -0.000 0.000 0.271 380 L C -2.437 174.313 176.870 -0.199 0.000 1.169 380 L CA -2.273 52.403 54.840 -0.272 0.000 0.836 380 L CB 0.039 41.936 42.059 -0.270 0.000 1.112 380 L HN 0.010 nan 8.230 nan 0.000 0.465 381 P HA -0.029 nan 4.420 nan 0.000 0.264 381 P C -0.807 176.432 177.300 -0.101 0.000 1.183 381 P CA 0.053 63.053 63.100 -0.166 0.000 0.763 381 P CB 0.486 32.089 31.700 -0.163 0.000 0.807 382 V N 3.461 123.330 119.914 -0.075 0.000 2.370 382 V HA 0.443 4.563 4.120 -0.000 0.000 0.279 382 V C 0.637 176.711 176.094 -0.032 0.000 1.029 382 V CA -1.014 61.261 62.300 -0.042 0.000 0.870 382 V CB 0.915 32.720 31.823 -0.031 0.000 0.984 382 V HN 0.637 nan 8.190 nan 0.000 0.451 383 A N 3.946 126.753 122.820 -0.021 0.000 2.548 383 A HA 0.485 4.805 4.320 -0.000 0.000 0.247 383 A C 1.494 179.066 177.584 -0.021 0.000 1.067 383 A CA 0.687 52.713 52.037 -0.019 0.000 0.757 383 A CB -0.570 18.424 19.000 -0.010 0.000 0.996 383 A HN 2.256 nan 8.150 nan 0.000 0.504 384 G N 1.716 110.506 108.800 -0.017 0.000 2.160 384 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.251 384 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.251 384 G C -0.105 174.791 174.900 -0.006 0.000 1.008 384 G CA 0.380 45.472 45.100 -0.012 0.000 0.724 384 G HN 0.821 nan 8.290 nan 0.000 0.514 385 E N 0.426 120.623 120.200 -0.004 0.000 2.146 385 E HA 0.412 4.762 4.350 -0.000 0.000 0.282 385 E C 1.337 177.949 176.600 0.020 0.000 0.989 385 E CA 0.255 56.660 56.400 0.007 0.000 0.799 385 E CB 1.388 31.091 29.700 0.005 0.000 1.088 385 E HN 0.407 nan 8.360 nan 0.000 0.397 386 S N 1.465 117.182 115.700 0.028 0.000 2.470 386 S HA -0.091 4.379 4.470 -0.000 0.000 0.225 386 S C 0.709 175.347 174.600 0.064 0.000 1.006 386 S CA 0.017 58.240 58.200 0.038 0.000 0.934 386 S CB 0.146 63.365 63.200 0.031 0.000 0.778 386 S HN 0.377 nan 8.310 nan 0.000 0.517 387 D N 3.580 124.026 120.400 0.076 0.000 2.389 387 D HA 0.174 4.814 4.640 -0.000 0.000 0.263 387 D C -1.663 174.731 176.300 0.157 0.000 1.255 387 D CA -1.931 52.144 54.000 0.125 0.000 0.914 387 D CB 1.313 42.186 40.800 0.122 0.000 1.116 387 D HN 0.064 nan 8.370 nan 0.000 0.502 388 P HA -0.134 nan 4.420 nan 0.000 0.217 388 P C 0.970 178.372 177.300 0.169 0.000 1.148 388 P CA 1.015 64.252 63.100 0.228 0.000 0.828 388 P CB -0.006 31.848 31.700 0.257 0.000 0.783 389 F N -2.061 118.006 119.950 0.195 0.000 2.780 389 F HA -0.033 4.494 4.527 -0.000 0.000 0.299 389 F C 1.960 177.740 175.800 -0.034 0.000 1.146 389 F CA 0.572 58.623 58.000 0.085 0.000 1.428 389 F CB -0.317 38.778 39.000 0.159 0.000 1.115 389 F HN -0.231 nan 8.300 nan 0.000 0.583 390 V N -1.481 118.501 119.914 0.114 0.000 2.721 390 V HA 0.133 4.253 4.120 -0.000 0.000 0.236 390 V C 2.494 178.567 176.094 -0.034 0.000 1.116 390 V CA 1.348 63.667 62.300 0.033 0.000 1.148 390 V CB -1.039 30.814 31.823 0.050 0.000 0.886 390 V HN 0.249 nan 8.190 nan 0.000 0.490 391 G N -0.386 108.405 108.800 -0.015 0.000 2.402 391 G HA2 0.234 4.194 3.960 -0.000 0.000 0.216 391 G HA3 0.234 4.194 3.960 -0.000 0.000 0.216 391 G C 1.184 176.031 174.900 -0.088 0.000 1.162 391 G CA 1.276 46.354 45.100 -0.037 0.000 0.777 391 G HN 0.925 nan 8.290 nan 0.000 0.539 392 G N -0.161 108.569 108.800 -0.117 0.000 2.614 392 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.303 392 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.303 392 G C 1.436 176.301 174.900 -0.057 0.000 1.270 392 G CA 2.315 47.296 45.100 -0.197 0.000 0.988 392 G HN 1.289 nan 8.290 nan 0.000 0.551 393 T N -0.450 114.054 114.554 -0.084 0.000 3.077 393 T HA 0.191 4.541 4.350 -0.000 0.000 0.269 393 T C 2.095 176.768 174.700 -0.044 0.000 1.146 393 T CA 1.718 63.792 62.100 -0.043 0.000 1.091 393 T CB -0.064 68.770 68.868 -0.057 0.000 0.892 393 T HN 0.526 nan 8.240 nan 0.000 0.533 394 L N -0.172 121.018 121.223 -0.054 0.000 2.640 394 L HA 0.448 4.788 4.340 -0.000 0.000 0.230 394 L C 2.812 179.667 176.870 -0.024 0.000 1.123 394 L CA 0.170 54.987 54.840 -0.038 0.000 0.900 394 L CB -0.426 41.608 42.059 -0.041 0.000 1.146 394 L HN 0.293 nan 8.230 nan 0.000 0.484 395 A N 1.266 124.076 122.820 -0.016 0.000 1.917 395 A HA -0.249 4.071 4.320 -0.000 0.000 0.219 395 A C 1.629 179.213 177.584 -0.001 0.000 1.182 395 A CA 2.201 54.238 52.037 -0.000 0.000 0.633 395 A CB -0.597 18.416 19.000 0.020 0.000 0.819 395 A HN 0.579 nan 8.150 nan 0.000 0.448 396 N N -1.189 117.509 118.700 -0.004 0.000 2.276 396 N HA 0.175 4.915 4.740 -0.000 0.000 0.212 396 N C -0.169 175.334 175.510 -0.012 0.000 1.127 396 N CA -0.136 52.911 53.050 -0.006 0.000 0.834 396 N CB 0.432 38.916 38.487 -0.005 0.000 1.014 396 N HN 0.371 nan 8.380 nan 0.000 0.491 397 R N 0.161 120.652 120.500 -0.015 0.000 2.711 397 R HA 0.426 4.766 4.340 -0.000 0.000 0.284 397 R C 0.144 176.432 176.300 -0.020 0.000 0.968 397 R CA -0.711 55.377 56.100 -0.020 0.000 0.924 397 R CB 1.288 31.574 30.300 -0.023 0.000 1.162 397 R HN 0.048 nan 8.270 nan 0.000 0.465 398 M N 0.250 119.836 119.600 -0.023 0.000 2.899 398 M HA -0.258 4.222 4.480 -0.000 0.000 0.195 398 M C -0.490 175.797 176.300 -0.020 0.000 0.603 398 M CA 1.076 56.361 55.300 -0.025 0.000 0.712 398 M CB -0.990 31.593 32.600 -0.028 0.000 2.569 398 M HN 0.532 nan 8.290 nan 0.000 0.406 399 R N 0.739 121.230 120.500 -0.016 0.000 2.442 399 R HA 0.335 4.675 4.340 -0.000 0.000 0.291 399 R C 1.347 177.641 176.300 -0.010 0.000 1.069 399 R CA 0.952 57.045 56.100 -0.012 0.000 1.022 399 R CB 0.428 30.724 30.300 -0.008 0.000 0.976 399 R HN 0.533 nan 8.270 nan 0.000 0.443 400 G N 1.796 110.591 108.800 -0.008 0.000 2.147 400 G HA2 -0.292 3.667 3.960 -0.000 0.000 0.244 400 G HA3 -0.292 3.667 3.960 -0.000 0.000 0.244 400 G C 0.171 175.067 174.900 -0.007 0.000 1.005 400 G CA 0.704 45.801 45.100 -0.006 0.000 0.713 400 G HN 0.748 nan 8.290 nan 0.000 0.515 401 T N -4.029 110.519 114.554 -0.010 0.000 2.924 401 T HA 0.808 5.158 4.350 -0.000 0.000 0.291 401 T C 1.523 176.219 174.700 -0.007 0.000 1.045 401 T CA 0.366 62.460 62.100 -0.010 0.000 1.015 401 T CB 1.830 70.687 68.868 -0.018 0.000 1.103 401 T HN 1.489 nan 8.240 nan 0.000 0.496 402 A N 1.189 124.012 122.820 0.006 0.000 2.104 402 A HA 0.040 4.360 4.320 -0.000 0.000 0.223 402 A C 2.413 179.990 177.584 -0.012 0.000 1.164 402 A CA 2.228 54.280 52.037 0.026 0.000 0.659 402 A CB -1.396 17.639 19.000 0.059 0.000 0.808 402 A HN 1.365 nan 8.150 nan 0.000 0.465 403 A N -0.649 122.155 122.820 -0.027 0.000 2.067 403 A HA 0.075 4.395 4.320 -0.000 0.000 0.217 403 A C 1.090 178.638 177.584 -0.061 0.000 1.156 403 A CA 0.607 52.616 52.037 -0.047 0.000 0.683 403 A CB -0.307 18.670 19.000 -0.039 0.000 0.808 403 A HN 0.639 nan 8.150 nan 0.000 0.455 404 E N -0.147 120.024 120.200 -0.048 0.000 2.585 404 E HA 0.244 4.594 4.350 -0.000 0.000 0.252 404 E C 1.196 177.759 176.600 -0.061 0.000 0.981 404 E CA 0.590 56.965 56.400 -0.042 0.000 0.943 404 E CB -0.154 29.530 29.700 -0.026 0.000 0.923 404 E HN 0.691 nan 8.360 nan 0.000 0.486 405 G N 2.602 111.371 108.800 -0.051 0.000 2.189 405 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.267 405 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.267 405 G C 0.620 175.468 174.900 -0.087 0.000 0.975 405 G CA 0.424 45.492 45.100 -0.054 0.000 0.644 405 G HN 0.465 nan 8.290 nan 0.000 0.537 406 V N -0.234 119.606 119.914 -0.123 0.000 3.050 406 V HA 0.239 4.359 4.120 -0.000 0.000 0.223 406 V C 1.840 177.900 176.094 -0.056 0.000 1.162 406 V CA 0.762 62.953 62.300 -0.183 0.000 1.247 406 V CB 0.019 31.597 31.823 -0.409 0.000 1.125 406 V HN 0.201 nan 8.190 nan 0.000 0.508 407 V N 2.311 122.215 119.914 -0.016 0.000 2.557 407 V HA 0.012 4.132 4.120 -0.000 0.000 0.301 407 V C -0.027 176.111 176.094 0.073 0.000 1.026 407 V CA 0.604 62.954 62.300 0.083 0.000 1.137 407 V CB -0.055 31.827 31.823 0.099 0.000 0.917 407 V HN 0.546 nan 8.190 nan 0.000 0.484 408 E N 3.771 124.035 120.200 0.108 0.000 2.155 408 E HA 0.744 5.094 4.350 -0.000 0.000 0.264 408 E C -0.387 176.218 176.600 0.009 0.000 0.886 408 E CA -0.331 56.100 56.400 0.051 0.000 0.752 408 E CB 1.876 31.620 29.700 0.073 0.000 1.133 408 E HN 0.842 nan 8.360 nan 0.000 0.414 409 A N 2.963 125.743 122.820 -0.066 0.000 2.589 409 A HA 0.565 4.885 4.320 -0.000 0.000 0.296 409 A C -1.397 176.083 177.584 -0.174 0.000 1.062 409 A CA -0.884 51.070 52.037 -0.139 0.000 0.686 409 A CB 1.540 20.548 19.000 0.014 0.000 1.282 409 A HN 0.388 nan 8.150 nan 0.000 0.404 410 K N 1.053 121.314 120.400 -0.230 0.000 2.183 410 K HA 0.641 4.961 4.320 -0.000 0.000 0.274 410 K C 0.570 177.087 176.600 -0.138 0.000 1.009 410 K CA 0.433 56.593 56.287 -0.213 0.000 0.888 410 K CB 0.920 33.263 32.500 -0.262 0.000 1.078 410 K HN 0.921 nan 8.250 nan 0.000 0.459 411 T N -0.123 114.362 114.554 -0.115 0.000 2.888 411 T HA 0.834 5.183 4.350 -0.000 0.000 0.283 411 T C 0.160 174.819 174.700 -0.068 0.000 1.013 411 T CA -0.565 61.490 62.100 -0.075 0.000 0.938 411 T CB 1.324 70.150 68.868 -0.070 0.000 1.298 411 T HN 0.654 nan 8.240 nan 0.000 0.580 412 G N -0.412 108.356 108.800 -0.053 0.000 2.093 412 G HA2 0.462 4.422 3.960 -0.000 0.000 0.298 412 G HA3 0.462 4.422 3.960 -0.000 0.000 0.298 412 G C -1.070 173.806 174.900 -0.040 0.000 1.713 412 G CA -0.703 44.368 45.100 -0.049 0.000 0.907 412 G HN 0.812 nan 8.290 nan 0.000 0.702 413 T N 3.067 117.584 114.554 -0.060 0.000 3.237 413 T HA 0.681 5.031 4.350 -0.000 0.000 0.319 413 T C 0.249 174.899 174.700 -0.083 0.000 1.037 413 T CA -0.538 61.534 62.100 -0.047 0.000 1.048 413 T CB 1.182 70.025 68.868 -0.042 0.000 1.081 413 T HN 0.926 nan 8.240 nan 0.000 0.455 414 M N 0.306 119.871 119.600 -0.059 0.000 2.846 414 M HA 0.718 5.198 4.480 -0.000 0.000 0.282 414 M C -0.018 176.276 176.300 -0.010 0.000 1.266 414 M CA -1.195 54.061 55.300 -0.074 0.000 0.766 414 M CB 1.421 33.935 32.600 -0.142 0.000 1.739 414 M HN 0.446 nan 8.290 nan 0.000 0.442 415 S N -0.023 115.685 115.700 0.013 0.000 2.544 415 S HA 0.406 4.876 4.470 -0.000 0.000 0.290 415 S C 1.088 175.665 174.600 -0.038 0.000 1.276 415 S CA 0.307 58.522 58.200 0.025 0.000 1.075 415 S CB -0.262 62.984 63.200 0.076 0.000 0.849 415 S HN 1.745 nan 8.310 nan 0.000 0.494 416 G N 1.575 110.273 108.800 -0.169 0.000 2.166 416 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.260 416 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.260 416 G C 0.008 174.738 174.900 -0.283 0.000 0.986 416 G CA 0.185 45.000 45.100 -0.475 0.000 0.683 416 G HN 1.486 nan 8.290 nan 0.000 0.527 417 V N -0.449 119.477 119.914 0.020 0.000 2.668 417 V HA 0.830 4.949 4.120 -0.000 0.000 0.304 417 V C -0.151 176.041 176.094 0.163 0.000 1.071 417 V CA -0.049 62.325 62.300 0.123 0.000 0.894 417 V CB 1.949 33.785 31.823 0.023 0.000 1.008 417 V HN 0.717 nan 8.190 nan 0.000 0.425 418 S N 2.485 118.280 115.700 0.157 0.000 2.537 418 S HA 0.937 5.406 4.470 -0.000 0.000 0.270 418 S C -1.087 173.530 174.600 0.029 0.000 1.142 418 S CA 0.285 58.517 58.200 0.053 0.000 0.870 418 S CB 1.927 65.123 63.200 -0.008 0.000 1.112 418 S HN 1.573 nan 8.310 nan 0.000 0.466 419 A N 2.090 124.916 122.820 0.010 0.000 2.572 419 A HA 0.877 5.197 4.320 -0.000 0.000 0.295 419 A C -2.039 175.553 177.584 0.013 0.000 1.072 419 A CA -0.541 51.508 52.037 0.019 0.000 0.691 419 A CB 1.740 20.756 19.000 0.027 0.000 1.291 419 A HN 1.049 nan 8.150 nan 0.000 0.404 420 L N 1.154 122.406 121.223 0.048 0.000 2.555 420 L HA 0.683 5.023 4.340 -0.000 0.000 0.264 420 L C -0.954 175.978 176.870 0.102 0.000 0.972 420 L CA 0.379 55.269 54.840 0.083 0.000 0.876 420 L CB 1.849 43.996 42.059 0.147 0.000 1.216 420 L HN 0.621 nan 8.230 nan 0.000 0.415 421 S N 2.526 118.127 115.700 -0.165 0.000 2.538 421 S HA 1.018 5.488 4.470 -0.000 0.000 0.288 421 S C -0.069 174.053 174.600 -0.796 0.000 1.108 421 S CA -0.070 57.820 58.200 -0.516 0.000 0.971 421 S CB 1.865 64.888 63.200 -0.296 0.000 1.041 421 S HN 1.049 nan 8.310 nan 0.000 0.483 422 G N 1.308 109.259 108.800 -1.413 0.000 2.441 422 G HA2 0.451 4.411 3.960 -0.000 0.000 0.225 422 G HA3 0.451 4.411 3.960 -0.000 0.000 0.225 422 G C -2.405 171.875 174.900 -1.034 0.000 1.200 422 G CA -0.544 43.931 45.100 -1.041 0.000 0.947 422 G HN 0.493 nan 8.290 nan 0.000 0.484 423 Y N -1.045 119.141 120.300 -0.191 0.000 2.485 423 Y HA 0.634 5.184 4.550 -0.000 0.000 0.345 423 Y C -0.033 175.985 175.900 0.196 0.000 0.998 423 Y CA -0.909 57.212 58.100 0.035 0.000 1.059 423 Y CB 2.762 41.243 38.460 0.035 0.000 1.234 423 Y HN 0.277 nan 8.280 nan 0.000 0.461 424 V N 4.651 124.808 119.914 0.404 0.000 2.266 424 V HA 0.296 4.416 4.120 -0.000 0.000 0.271 424 V C -2.320 173.931 176.094 0.262 0.000 1.032 424 V CA -2.027 60.455 62.300 0.303 0.000 0.806 424 V CB 0.533 32.521 31.823 0.276 0.000 1.052 424 V HN 0.537 nan 8.190 nan 0.000 0.449 425 P HA 0.364 nan 4.420 nan 0.000 0.269 425 P C 0.122 177.601 177.300 0.297 0.000 1.215 425 P CA 0.484 63.694 63.100 0.185 0.000 0.780 425 P CB 1.485 33.253 31.700 0.113 0.000 0.898 426 G N 1.307 110.239 108.800 0.221 0.000 2.673 426 G HA2 0.445 4.405 3.960 -0.000 0.000 0.292 426 G HA3 0.445 4.405 3.960 -0.000 0.000 0.292 426 G C -2.404 172.530 174.900 0.055 0.000 1.450 426 G CA -0.872 44.326 45.100 0.162 0.000 0.837 426 G HN 0.201 nan 8.290 nan 0.000 0.505 427 P HA 0.059 nan 4.420 nan 0.000 0.230 427 P C 0.593 177.884 177.300 -0.017 0.000 1.158 427 P CA 1.015 64.105 63.100 -0.017 0.000 0.769 427 P CB 0.764 32.432 31.700 -0.053 0.000 0.807 428 E N -0.472 119.716 120.200 -0.021 0.000 2.306 428 E HA 0.339 4.689 4.350 -0.000 0.000 0.201 428 E C 0.823 177.431 176.600 0.012 0.000 0.874 428 E CA 0.510 56.902 56.400 -0.013 0.000 0.972 428 E CB 0.301 29.981 29.700 -0.034 0.000 0.957 428 E HN 0.173 nan 8.360 nan 0.000 0.492 429 G N 1.131 109.950 108.800 0.032 0.000 2.596 429 G HA2 0.207 4.167 3.960 -0.000 0.000 0.300 429 G HA3 0.207 4.167 3.960 -0.000 0.000 0.300 429 G C -1.470 173.487 174.900 0.095 0.000 1.370 429 G CA -0.799 44.336 45.100 0.059 0.000 1.170 429 G HN 0.027 nan 8.290 nan 0.000 0.594 430 E N 1.819 122.080 120.200 0.101 0.000 2.413 430 E HA 0.349 4.699 4.350 -0.000 0.000 0.263 430 E C -0.695 176.019 176.600 0.189 0.000 1.015 430 E CA -0.351 56.136 56.400 0.144 0.000 0.916 430 E CB 0.693 30.459 29.700 0.108 0.000 0.947 430 E HN 0.198 nan 8.360 nan 0.000 0.440 431 L N 3.066 124.434 121.223 0.241 0.000 2.331 431 L HA 0.648 4.988 4.340 -0.000 0.000 0.275 431 L C -0.444 176.611 176.870 0.307 0.000 1.022 431 L CA -0.371 54.621 54.840 0.255 0.000 0.812 431 L CB 1.691 43.899 42.059 0.250 0.000 1.257 431 L HN 0.744 nan 8.230 nan 0.000 0.435 432 A N 2.571 125.528 122.820 0.227 0.000 2.386 432 A HA 0.889 5.209 4.320 -0.000 0.000 0.311 432 A C -1.253 176.390 177.584 0.099 0.000 1.068 432 A CA -0.390 51.683 52.037 0.061 0.000 0.743 432 A CB 1.116 20.111 19.000 -0.009 0.000 1.258 432 A HN 0.565 nan 8.150 nan 0.000 0.429 433 F N -0.253 119.644 119.950 -0.088 0.000 2.645 433 F HA 0.862 5.389 4.527 -0.000 0.000 0.310 433 F C -0.490 175.267 175.800 -0.070 0.000 1.102 433 F CA -0.898 57.068 58.000 -0.056 0.000 0.952 433 F CB 1.599 40.569 39.000 -0.049 0.000 1.326 433 F HN 0.520 nan 8.300 nan 0.000 0.456 434 S N 1.885 117.675 115.700 0.149 0.000 2.614 434 S HA 0.780 5.250 4.470 -0.000 0.000 0.288 434 S C -1.455 173.259 174.600 0.190 0.000 1.137 434 S CA -0.494 57.755 58.200 0.082 0.000 0.992 434 S CB 0.797 64.016 63.200 0.031 0.000 1.026 434 S HN 0.654 nan 8.310 nan 0.000 0.486 435 I N 4.692 125.375 120.570 0.188 0.000 2.411 435 I HA 0.477 4.647 4.170 -0.000 0.000 0.284 435 I C -1.070 175.095 176.117 0.081 0.000 1.012 435 I CA -0.746 60.632 61.300 0.128 0.000 1.119 435 I CB 1.952 40.020 38.000 0.114 0.000 1.261 435 I HN 0.312 nan 8.210 nan 0.000 0.448 436 V N 6.041 125.996 119.914 0.070 0.000 2.443 436 V HA 0.413 4.533 4.120 -0.000 0.000 0.293 436 V C -0.503 175.629 176.094 0.063 0.000 1.021 436 V CA -0.750 61.587 62.300 0.062 0.000 0.848 436 V CB 1.605 33.469 31.823 0.068 0.000 0.998 436 V HN 0.650 nan 8.190 nan 0.000 0.424 437 N N 4.504 123.244 118.700 0.065 0.000 2.392 437 N HA 0.503 5.242 4.740 -0.000 0.000 0.283 437 N C -0.992 174.640 175.510 0.203 0.000 1.003 437 N CA -0.421 52.686 53.050 0.096 0.000 0.892 437 N CB 2.248 40.733 38.487 -0.004 0.000 1.193 437 N HN 0.674 nan 8.380 nan 0.000 0.487 438 N N -0.406 118.404 118.700 0.184 0.000 2.265 438 N HA 0.409 5.148 4.740 -0.000 0.000 0.300 438 N C 0.501 176.064 175.510 0.087 0.000 1.148 438 N CA -0.547 52.577 53.050 0.124 0.000 0.772 438 N CB 2.424 40.945 38.487 0.055 0.000 1.434 438 N HN 0.656 nan 8.380 nan 0.000 0.481 439 G N 0.768 109.526 108.800 -0.070 0.000 2.179 439 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.260 439 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.260 439 G C 0.052 174.914 174.900 -0.064 0.000 0.977 439 G CA 0.416 45.472 45.100 -0.073 0.000 0.641 439 G HN 0.880 nan 8.290 nan 0.000 0.533 440 H N 0.177 119.253 119.070 0.011 0.000 2.871 440 H HA 0.516 5.072 4.556 -0.000 0.000 0.355 440 H C 0.838 176.171 175.328 0.009 0.000 1.092 440 H CA 0.501 56.554 56.048 0.008 0.000 1.420 440 H CB 0.808 30.573 29.762 0.004 0.000 1.400 440 H HN 0.054 nan 8.280 nan 0.000 0.604 441 S N 1.551 117.289 115.700 0.063 0.000 2.556 441 S HA 0.238 4.708 4.470 -0.000 0.000 0.216 441 S C 1.115 175.735 174.600 0.033 0.000 0.970 441 S CA -0.014 58.191 58.200 0.009 0.000 0.912 441 S CB 0.528 63.737 63.200 0.016 0.000 0.790 441 S HN 0.943 nan 8.310 nan 0.000 0.504 442 G N 1.661 110.522 108.800 0.102 0.000 3.214 442 G HA2 0.594 4.554 3.960 -0.000 0.000 0.188 442 G HA3 0.594 4.554 3.960 -0.000 0.000 0.188 442 G C -3.027 171.957 174.900 0.140 0.000 1.126 442 G CA -1.038 44.116 45.100 0.089 0.000 0.796 442 G HN 0.098 nan 8.290 nan 0.000 0.631 443 P HA 0.444 nan 4.420 nan 0.000 0.271 443 P C -0.063 177.281 177.300 0.074 0.000 1.233 443 P CA -0.052 63.090 63.100 0.069 0.000 0.789 443 P CB 0.532 32.246 31.700 0.023 0.000 0.951 444 A N 3.022 125.864 122.820 0.035 0.000 2.498 444 A HA 0.287 4.607 4.320 -0.000 0.000 0.239 444 A C -1.751 175.746 177.584 -0.145 0.000 1.068 444 A CA -0.699 51.302 52.037 -0.060 0.000 0.766 444 A CB -0.944 18.041 19.000 -0.024 0.000 1.003 444 A HN 0.437 nan 8.150 nan 0.000 0.497 445 P HA 0.215 nan 4.420 nan 0.000 0.212 445 P C 0.556 177.778 177.300 -0.131 0.000 1.816 445 P CA -0.136 62.848 63.100 -0.193 0.000 0.944 445 P CB -0.006 31.540 31.700 -0.257 0.000 1.896 446 L N 0.313 121.479 121.223 -0.095 0.000 2.083 446 L HA -0.130 4.210 4.340 -0.000 0.000 0.209 446 L C 2.475 179.306 176.870 -0.064 0.000 1.083 446 L CA 1.606 56.404 54.840 -0.070 0.000 0.752 446 L CB -1.023 41.004 42.059 -0.053 0.000 0.899 446 L HN 0.117 nan 8.230 nan 0.000 0.433 447 A N -0.072 122.711 122.820 -0.061 0.000 2.015 447 A HA -0.086 4.234 4.320 -0.000 0.000 0.219 447 A C 2.307 179.851 177.584 -0.066 0.000 1.163 447 A CA 1.452 53.455 52.037 -0.056 0.000 0.646 447 A CB -0.598 18.373 19.000 -0.047 0.000 0.806 447 A HN 0.217 nan 8.150 nan 0.000 0.448 448 V N -0.207 119.662 119.914 -0.075 0.000 2.270 448 V HA -0.323 3.797 4.120 -0.000 0.000 0.245 448 V C 2.544 178.580 176.094 -0.097 0.000 1.043 448 V CA 2.134 64.384 62.300 -0.083 0.000 1.014 448 V CB -1.264 30.507 31.823 -0.086 0.000 0.645 448 V HN 0.620 nan 8.190 nan 0.000 0.447 449 Q N 0.125 119.871 119.800 -0.090 0.000 2.045 449 Q HA -0.273 4.067 4.340 -0.000 0.000 0.206 449 Q C 2.138 178.072 176.000 -0.110 0.000 0.991 449 Q CA 2.100 57.851 55.803 -0.087 0.000 0.851 449 Q CB -0.406 28.303 28.738 -0.049 0.000 0.911 449 Q HN 0.613 nan 8.270 nan 0.000 0.418 450 D N 0.393 120.742 120.400 -0.085 0.000 2.106 450 D HA -0.204 4.435 4.640 -0.000 0.000 0.191 450 D C 1.827 178.063 176.300 -0.107 0.000 0.997 450 D CA 1.668 55.618 54.000 -0.084 0.000 0.834 450 D CB -0.448 40.315 40.800 -0.061 0.000 0.956 450 D HN 0.319 nan 8.370 nan 0.000 0.448 451 A N 0.592 123.352 122.820 -0.100 0.000 1.908 451 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 451 A C 2.452 179.951 177.584 -0.142 0.000 1.181 451 A CA 1.257 53.233 52.037 -0.102 0.000 0.627 451 A CB -0.824 18.125 19.000 -0.085 0.000 0.818 451 A HN 0.248 nan 8.150 nan 0.000 0.445 452 I N -0.234 120.225 120.570 -0.185 0.000 2.163 452 I HA -0.318 3.852 4.170 -0.000 0.000 0.243 452 I C 2.991 178.908 176.117 -0.333 0.000 1.085 452 I CA 1.209 62.350 61.300 -0.265 0.000 1.347 452 I CB -0.467 37.354 38.000 -0.298 0.000 1.044 452 I HN 0.363 nan 8.210 nan 0.000 0.408 453 A N 0.374 122.975 122.820 -0.365 0.000 1.940 453 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 453 A C 2.423 179.880 177.584 -0.211 0.000 1.176 453 A CA 1.904 53.699 52.037 -0.403 0.000 0.631 453 A CB -0.901 17.926 19.000 -0.289 0.000 0.814 453 A HN 0.277 nan 8.150 nan 0.000 0.446 454 V N -0.268 119.561 119.914 -0.142 0.000 2.323 454 V HA -0.175 3.945 4.120 -0.000 0.000 0.244 454 V C 2.612 178.673 176.094 -0.055 0.000 1.041 454 V CA 2.127 64.382 62.300 -0.075 0.000 1.025 454 V CB -0.768 31.021 31.823 -0.057 0.000 0.656 454 V HN 0.612 nan 8.190 nan 0.000 0.451 455 R N 0.527 120.977 120.500 -0.083 0.000 2.105 455 R HA -0.119 4.220 4.340 -0.000 0.000 0.239 455 R C 2.012 178.295 176.300 -0.028 0.000 1.135 455 R CA 1.744 57.810 56.100 -0.057 0.000 0.967 455 R CB -0.846 29.397 30.300 -0.095 0.000 0.861 455 R HN 0.489 nan 8.270 nan 0.000 0.442 456 L N -0.474 120.692 121.223 -0.095 0.000 2.027 456 L HA -0.078 4.261 4.340 -0.000 0.000 0.206 456 L C 2.472 179.389 176.870 0.077 0.000 1.074 456 L CA 1.308 56.119 54.840 -0.048 0.000 0.745 456 L CB -0.743 41.200 42.059 -0.194 0.000 0.898 456 L HN 0.335 nan 8.230 nan 0.000 0.433 457 A N 0.267 123.118 122.820 0.051 0.000 1.892 457 A HA -0.280 4.039 4.320 -0.000 0.000 0.218 457 A C 2.124 179.814 177.584 0.177 0.000 1.188 457 A CA 2.129 54.250 52.037 0.141 0.000 0.631 457 A CB -0.580 18.463 19.000 0.071 0.000 0.822 457 A HN 0.495 nan 8.150 nan 0.000 0.447 458 E N -1.989 118.278 120.200 0.111 0.000 2.110 458 E HA -0.213 4.137 4.350 -0.000 0.000 0.193 458 E C 1.873 178.524 176.600 0.085 0.000 0.988 458 E CA 1.394 57.846 56.400 0.087 0.000 0.804 458 E CB -0.313 29.422 29.700 0.060 0.000 0.745 458 E HN 0.779 nan 8.360 nan 0.000 0.458 459 Y N 0.822 121.124 120.300 0.004 0.000 2.274 459 Y HA -0.163 4.387 4.550 -0.000 0.000 0.290 459 Y C 2.006 177.906 175.900 0.001 0.000 1.145 459 Y CA 1.281 59.381 58.100 0.001 0.000 1.203 459 Y CB 0.016 38.477 38.460 0.001 0.000 0.984 459 Y HN -0.017 nan 8.280 nan 0.000 0.533 460 A N -1.019 121.870 122.820 0.115 0.000 2.278 460 A HA 0.394 4.714 4.320 -0.000 0.000 0.212 460 A C 1.725 179.203 177.584 -0.177 0.000 1.213 460 A CA 0.751 52.810 52.037 0.037 0.000 0.840 460 A CB -1.058 18.052 19.000 0.184 0.000 0.866 460 A HN 0.804 nan 8.150 nan 0.000 0.489 461 G N -1.169 107.519 108.800 -0.186 0.000 2.144 461 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.218 461 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.218 461 G C -0.093 174.627 174.900 -0.300 0.000 0.988 461 G CA 0.047 44.991 45.100 -0.261 0.000 0.659 461 G HN 0.633 nan 8.290 nan 0.000 0.522 462 H N 0.546 119.616 119.070 0.001 0.000 2.473 462 H HA 0.577 5.133 4.556 -0.000 0.000 0.327 462 H C 0.284 175.612 175.328 0.001 0.000 1.105 462 H CA 0.090 56.141 56.048 0.005 0.000 1.280 462 H CB 1.321 31.092 29.762 0.014 0.000 1.450 462 H HN 0.432 nan 8.280 nan 0.000 0.492 463 Q N 0.495 120.374 119.800 0.132 0.000 2.301 463 Q HA 0.561 4.900 4.340 -0.000 0.000 0.267 463 Q C -0.326 175.712 176.000 0.063 0.000 1.035 463 Q CA -1.044 54.801 55.803 0.071 0.000 0.856 463 Q CB 2.171 30.933 28.738 0.040 0.000 1.337 463 Q HN 0.764 nan 8.270 nan 0.000 0.450 464 A N 2.796 125.638 122.820 0.037 0.000 2.540 464 A HA 0.264 4.584 4.320 -0.000 0.000 0.239 464 A C -1.895 175.701 177.584 0.020 0.000 1.061 464 A CA -0.759 51.290 52.037 0.021 0.000 0.758 464 A CB -0.685 18.322 19.000 0.011 0.000 0.991 464 A HN 0.493 nan 8.150 nan 0.000 0.502 465 P HA 0.600 nan 4.420 nan 0.000 0.274 465 P C -0.153 177.153 177.300 0.009 0.000 1.231 465 P CA 0.703 63.810 63.100 0.013 0.000 0.790 465 P CB 1.077 32.781 31.700 0.007 0.000 0.951 466 E N 0.000 120.206 120.200 0.009 0.000 2.725 466 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 466 E CA 0.000 nan 56.400 nan 0.000 0.976 466 E CB 0.000 nan 29.700 nan 0.000 0.812 466 E HN 0.000 nan 8.360 nan 0.000 0.440