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 3m0m_1_A DATA FIRST_RESID 4 DATA SEQUENCE FRIAQDVVAR ENDRRASALK EDYEALGANL ARRGVDIEAV TAKVEKFFVA DATA SEQUENCE VPSWGVGTGG TRFARFPGTG EPRGIFDKLD DCAVIQQLTR ATPNVSLHIP DATA SEQUENCE WDKADPKELK ARGDALGLGF DAMNSNTFSD APGQAHSYKY GSLSHTNAAT DATA SEQUENCE RAQAVEHNLE CIEIGKAIGS KALTVWIGDG SNFPGQSNFT RAFERYLSAM DATA SEQUENCE AEIYKGLPDD WKLFSEHKMY EPAFYSTVVQ DWGTNYLIAQ TLGPKAQCLV DATA SEQUENCE DLGHHAPNTN IEMIVARLIQ FGKLGGFHFN DSKYGDDDLD AGAIEPYRLF DATA SEQUENCE LVFNELVDAE ARGVKGFHPA HMIDQFHNVT DPIESLINSA NEIRRAYAQA DATA SEQUENCE LLVDRAALSG YQEDNDALMA TETLKRAYRT DVEPILAEAR RRTGGAVDPV DATA SEQUENCE ATYRASGYRA RVAAERPASV A 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 4 F HA 0.000 nan 4.527 nan 0.000 0.279 4 F C 0.000 175.822 175.800 0.036 0.000 0.967 4 F CA 0.000 58.009 58.000 0.015 0.000 1.383 4 F CB 0.000 39.005 39.000 0.009 0.000 1.145 5 R N 1.223 121.834 120.500 0.186 0.000 2.096 5 R HA 0.100 4.437 4.340 -0.006 0.000 0.235 5 R C 0.442 176.851 176.300 0.182 0.000 1.127 5 R CA 1.067 57.270 56.100 0.171 0.000 0.968 5 R CB 0.110 30.447 30.300 0.062 0.000 0.861 5 R HN 0.305 nan 8.270 nan 0.000 0.440 6 I N 0.944 121.594 120.570 0.134 0.000 2.378 6 I HA 0.259 4.426 4.170 -0.006 0.000 0.291 6 I C 0.162 176.325 176.117 0.076 0.000 0.992 6 I CA -1.749 59.607 61.300 0.093 0.000 1.154 6 I CB 1.154 39.175 38.000 0.033 0.000 1.315 6 I HN -0.078 nan 8.210 nan 0.000 0.448 7 A N 6.188 129.040 122.820 0.053 0.000 2.567 7 A HA 0.031 4.347 4.320 -0.006 0.000 0.240 7 A C 1.273 178.806 177.584 -0.085 0.000 1.053 7 A CA 0.158 52.196 52.037 0.002 0.000 0.755 7 A CB 0.086 19.090 19.000 0.007 0.000 0.978 7 A HN 0.830 nan 8.150 nan 0.000 0.507 8 Q N 1.106 120.788 119.800 -0.197 0.000 2.170 8 Q HA -0.216 4.120 4.340 -0.006 0.000 0.203 8 Q C 1.221 177.129 176.000 -0.154 0.000 0.976 8 Q CA 1.668 57.306 55.803 -0.274 0.000 0.858 8 Q CB -0.128 28.347 28.738 -0.439 0.000 0.907 8 Q HN 1.019 nan 8.270 nan 0.000 0.433 9 D N -0.038 120.299 120.400 -0.105 0.000 2.219 9 D HA -0.116 4.521 4.640 -0.006 0.000 0.205 9 D C 1.738 178.006 176.300 -0.054 0.000 0.970 9 D CA 0.779 54.738 54.000 -0.070 0.000 0.851 9 D CB -0.396 40.376 40.800 -0.048 0.000 0.943 9 D HN 0.078 nan 8.370 nan 0.000 0.488 10 V N 0.484 120.368 119.914 -0.049 0.000 2.379 10 V HA -0.164 3.953 4.120 -0.006 0.000 0.245 10 V C 2.801 178.872 176.094 -0.038 0.000 1.044 10 V CA 1.076 63.356 62.300 -0.034 0.000 1.036 10 V CB -0.247 31.563 31.823 -0.021 0.000 0.664 10 V HN 0.125 nan 8.190 nan 0.000 0.453 11 V N 0.524 120.406 119.914 -0.053 0.000 2.343 11 V HA -0.240 3.876 4.120 -0.006 0.000 0.247 11 V C 2.700 178.761 176.094 -0.055 0.000 1.051 11 V CA 1.997 64.265 62.300 -0.053 0.000 1.036 11 V CB -1.128 30.650 31.823 -0.075 0.000 0.654 11 V HN 0.545 nan 8.190 nan 0.000 0.451 12 A N 0.113 122.893 122.820 -0.067 0.000 1.873 12 A HA -0.239 4.078 4.320 -0.006 0.000 0.215 12 A C 2.422 179.980 177.584 -0.043 0.000 1.186 12 A CA 1.987 53.989 52.037 -0.059 0.000 0.616 12 A CB -0.568 18.392 19.000 -0.066 0.000 0.823 12 A HN 0.475 nan 8.150 nan 0.000 0.442 13 R N -0.481 119.996 120.500 -0.039 0.000 2.083 13 R HA -0.162 4.175 4.340 -0.006 0.000 0.237 13 R C 1.831 178.116 176.300 -0.025 0.000 1.137 13 R CA 1.745 57.827 56.100 -0.030 0.000 0.951 13 R CB -0.205 30.079 30.300 -0.026 0.000 0.851 13 R HN 0.433 nan 8.270 nan 0.000 0.434 14 E N 0.332 120.518 120.200 -0.024 0.000 2.150 14 E HA -0.130 4.217 4.350 -0.006 0.000 0.193 14 E C 1.573 178.161 176.600 -0.020 0.000 0.985 14 E CA 1.038 57.427 56.400 -0.018 0.000 0.814 14 E CB -0.339 29.353 29.700 -0.013 0.000 0.752 14 E HN 0.542 nan 8.360 nan 0.000 0.466 15 N N 0.717 119.401 118.700 -0.027 0.000 2.171 15 N HA -0.120 4.617 4.740 -0.006 0.000 0.184 15 N C 1.250 176.743 175.510 -0.029 0.000 1.021 15 N CA 0.836 53.869 53.050 -0.030 0.000 0.854 15 N CB 0.080 38.545 38.487 -0.037 0.000 0.994 15 N HN 0.060 nan 8.380 nan 0.000 0.426 16 D N 0.849 121.231 120.400 -0.029 0.000 2.117 16 D HA -0.155 4.482 4.640 -0.006 0.000 0.197 16 D C 1.806 178.092 176.300 -0.022 0.000 0.987 16 D CA 0.775 54.759 54.000 -0.027 0.000 0.829 16 D CB -0.218 40.566 40.800 -0.026 0.000 0.961 16 D HN 0.205 nan 8.370 nan 0.000 0.460 17 R N 0.675 121.164 120.500 -0.019 0.000 2.159 17 R HA -0.052 4.285 4.340 -0.006 0.000 0.237 17 R C 1.317 177.608 176.300 -0.014 0.000 1.131 17 R CA 1.010 57.100 56.100 -0.016 0.000 0.982 17 R CB 0.175 30.466 30.300 -0.014 0.000 0.868 17 R HN 0.109 nan 8.270 nan 0.000 0.453 18 R N -1.255 119.235 120.500 -0.016 0.000 2.437 18 R HA 0.237 4.573 4.340 -0.006 0.000 0.257 18 R C 1.674 177.964 176.300 -0.017 0.000 0.927 18 R CA 0.341 56.432 56.100 -0.014 0.000 1.078 18 R CB 0.679 30.971 30.300 -0.013 0.000 1.161 18 R HN 0.103 nan 8.270 nan 0.000 0.529 19 A N 0.987 123.794 122.820 -0.022 0.000 1.883 19 A HA -0.224 4.093 4.320 -0.006 0.000 0.217 19 A C 2.150 179.722 177.584 -0.020 0.000 1.186 19 A CA 2.100 54.121 52.037 -0.027 0.000 0.624 19 A CB -0.602 18.380 19.000 -0.030 0.000 0.822 19 A HN 0.271 nan 8.150 nan 0.000 0.444 20 S N -0.491 115.200 115.700 -0.015 0.000 2.353 20 S HA -0.105 4.362 4.470 -0.006 0.000 0.222 20 S C 2.209 176.807 174.600 -0.004 0.000 1.035 20 S CA 1.852 60.046 58.200 -0.010 0.000 1.025 20 S CB -0.548 62.646 63.200 -0.009 0.000 0.902 20 S HN 0.881 nan 8.310 nan 0.000 0.440 21 A N 1.241 124.058 122.820 -0.004 0.000 1.902 21 A HA -0.001 4.315 4.320 -0.006 0.000 0.217 21 A C 2.166 179.756 177.584 0.010 0.000 1.181 21 A CA 1.672 53.709 52.037 0.001 0.000 0.623 21 A CB -0.896 18.102 19.000 -0.003 0.000 0.818 21 A HN 0.585 nan 8.150 nan 0.000 0.443 22 L N 0.138 121.365 121.223 0.006 0.000 2.046 22 L HA -0.148 4.189 4.340 -0.006 0.000 0.208 22 L C 2.261 179.158 176.870 0.044 0.000 1.077 22 L CA 2.722 57.573 54.840 0.019 0.000 0.747 22 L CB -0.635 41.419 42.059 -0.009 0.000 0.896 22 L HN 0.475 nan 8.230 nan 0.000 0.432 23 K N -0.799 119.612 120.400 0.018 0.000 2.009 23 K HA -0.209 4.108 4.320 -0.006 0.000 0.210 23 K C 1.958 178.596 176.600 0.064 0.000 1.049 23 K CA 1.714 58.020 56.287 0.031 0.000 0.929 23 K CB -0.111 32.391 32.500 0.004 0.000 0.714 23 K HN 0.348 nan 8.250 nan 0.000 0.440 24 E N 1.181 121.403 120.200 0.037 0.000 2.051 24 E HA -0.192 4.155 4.350 -0.006 0.000 0.192 24 E C 1.849 178.470 176.600 0.035 0.000 0.991 24 E CA 1.296 57.714 56.400 0.029 0.000 0.799 24 E CB -0.340 29.367 29.700 0.012 0.000 0.748 24 E HN 0.444 nan 8.360 nan 0.000 0.449 25 D N -0.210 120.214 120.400 0.041 0.000 2.117 25 D HA -0.143 4.493 4.640 -0.006 0.000 0.198 25 D C 1.948 178.276 176.300 0.047 0.000 0.982 25 D CA 0.755 54.772 54.000 0.029 0.000 0.828 25 D CB -0.448 40.366 40.800 0.024 0.000 0.967 25 D HN 0.221 nan 8.370 nan 0.000 0.464 26 Y N 1.876 122.158 120.300 -0.031 0.000 2.200 26 Y HA -0.146 4.401 4.550 -0.006 0.000 0.290 26 Y C 2.135 178.018 175.900 -0.029 0.000 1.137 26 Y CA 1.583 59.664 58.100 -0.031 0.000 1.163 26 Y CB 0.126 38.569 38.460 -0.027 0.000 0.988 26 Y HN -0.047 nan 8.280 nan 0.000 0.518 27 E N -0.221 120.071 120.200 0.154 0.000 2.106 27 E HA -0.175 4.171 4.350 -0.006 0.000 0.192 27 E C 2.320 178.906 176.600 -0.024 0.000 0.984 27 E CA 0.788 57.230 56.400 0.070 0.000 0.806 27 E CB -0.257 29.492 29.700 0.082 0.000 0.750 27 E HN 0.569 nan 8.360 nan 0.000 0.458 28 A N 1.410 124.213 122.820 -0.027 0.000 1.873 28 A HA -0.155 4.162 4.320 -0.006 0.000 0.215 28 A C 2.180 179.712 177.584 -0.088 0.000 1.186 28 A CA 0.978 52.986 52.037 -0.047 0.000 0.616 28 A CB -0.501 18.478 19.000 -0.036 0.000 0.823 28 A HN 0.223 nan 8.150 nan 0.000 0.442 29 L N 0.196 121.341 121.223 -0.130 0.000 2.083 29 L HA 0.005 4.342 4.340 -0.006 0.000 0.209 29 L C 2.346 179.088 176.870 -0.213 0.000 1.083 29 L CA 2.245 56.978 54.840 -0.178 0.000 0.752 29 L CB -1.029 40.894 42.059 -0.227 0.000 0.899 29 L HN 0.293 nan 8.230 nan 0.000 0.433 30 G N -1.030 107.607 108.800 -0.272 0.000 2.418 30 G HA2 -0.253 3.704 3.960 -0.006 0.000 0.217 30 G HA3 -0.253 3.704 3.960 -0.006 0.000 0.217 30 G C 1.588 176.414 174.900 -0.124 0.000 1.158 30 G CA 0.794 45.753 45.100 -0.234 0.000 0.771 30 G HN 0.628 nan 8.290 nan 0.000 0.545 31 A N 1.064 123.829 122.820 -0.091 0.000 1.898 31 A HA -0.098 4.218 4.320 -0.006 0.000 0.216 31 A C 2.216 179.763 177.584 -0.061 0.000 1.181 31 A CA 1.842 53.844 52.037 -0.059 0.000 0.620 31 A CB -0.589 18.385 19.000 -0.043 0.000 0.819 31 A HN 0.446 nan 8.150 nan 0.000 0.442 32 N N 0.395 119.051 118.700 -0.074 0.000 2.084 32 N HA -0.124 4.613 4.740 -0.006 0.000 0.190 32 N C 1.769 177.238 175.510 -0.069 0.000 1.030 32 N CA 1.627 54.636 53.050 -0.068 0.000 0.849 32 N CB -0.260 38.181 38.487 -0.076 0.000 1.012 32 N HN 0.499 nan 8.380 nan 0.000 0.423 33 L N 0.785 121.954 121.223 -0.089 0.000 2.083 33 L HA -0.093 4.243 4.340 -0.006 0.000 0.209 33 L C 2.735 179.568 176.870 -0.062 0.000 1.083 33 L CA 1.124 55.914 54.840 -0.082 0.000 0.752 33 L CB -0.531 41.462 42.059 -0.110 0.000 0.899 33 L HN 0.186 nan 8.230 nan 0.000 0.433 34 A N 0.169 122.953 122.820 -0.060 0.000 1.902 34 A HA -0.211 4.106 4.320 -0.006 0.000 0.217 34 A C 2.345 179.909 177.584 -0.033 0.000 1.181 34 A CA 1.435 53.447 52.037 -0.042 0.000 0.623 34 A CB -0.477 18.500 19.000 -0.038 0.000 0.818 34 A HN 0.329 nan 8.150 nan 0.000 0.443 35 R N -0.916 119.563 120.500 -0.034 0.000 2.189 35 R HA -0.025 4.312 4.340 -0.006 0.000 0.223 35 R C 1.618 177.904 176.300 -0.023 0.000 1.092 35 R CA 1.162 57.246 56.100 -0.027 0.000 0.989 35 R CB -0.142 30.141 30.300 -0.028 0.000 0.876 35 R HN 0.448 nan 8.270 nan 0.000 0.457 36 R N -0.625 119.858 120.500 -0.028 0.000 2.359 36 R HA 0.113 4.449 4.340 -0.006 0.000 0.231 36 R C 0.711 176.999 176.300 -0.019 0.000 0.913 36 R CA 0.472 56.559 56.100 -0.022 0.000 1.075 36 R CB 0.859 31.143 30.300 -0.027 0.000 1.087 36 R HN 0.293 nan 8.270 nan 0.000 0.515 37 G N 0.658 109.445 108.800 -0.022 0.000 2.147 37 G HA2 -0.236 3.721 3.960 -0.006 0.000 0.244 37 G HA3 -0.236 3.721 3.960 -0.006 0.000 0.244 37 G C -0.105 174.782 174.900 -0.022 0.000 1.005 37 G CA 0.039 45.128 45.100 -0.019 0.000 0.713 37 G HN 0.146 nan 8.290 nan 0.000 0.515 38 V N 0.421 120.316 119.914 -0.031 0.000 2.555 38 V HA 0.556 4.673 4.120 -0.006 0.000 0.302 38 V C -0.364 175.704 176.094 -0.043 0.000 1.038 38 V CA -0.956 61.322 62.300 -0.037 0.000 0.887 38 V CB 2.013 33.808 31.823 -0.047 0.000 0.991 38 V HN 0.289 nan 8.190 nan 0.000 0.434 39 D N 3.397 123.776 120.400 -0.035 0.000 2.396 39 D HA 0.217 4.854 4.640 -0.006 0.000 0.225 39 D C 0.974 177.251 176.300 -0.040 0.000 1.121 39 D CA -0.161 53.821 54.000 -0.030 0.000 0.853 39 D CB 1.379 42.171 40.800 -0.013 0.000 1.043 39 D HN 0.560 nan 8.370 nan 0.000 0.500 40 I N 3.219 123.749 120.570 -0.067 0.000 2.315 40 I HA -0.279 3.887 4.170 -0.006 0.000 0.251 40 I C 1.808 177.922 176.117 -0.006 0.000 1.125 40 I CA 1.308 62.548 61.300 -0.099 0.000 1.392 40 I CB 0.331 38.179 38.000 -0.252 0.000 1.065 40 I HN 0.353 nan 8.210 nan 0.000 0.424 41 E N 1.286 121.510 120.200 0.041 0.000 2.110 41 E HA -0.202 4.145 4.350 -0.006 0.000 0.193 41 E C 1.994 178.622 176.600 0.047 0.000 0.988 41 E CA 1.679 58.128 56.400 0.082 0.000 0.804 41 E CB -0.281 29.461 29.700 0.069 0.000 0.745 41 E HN 0.560 nan 8.360 nan 0.000 0.458 42 A N -0.069 122.763 122.820 0.020 0.000 1.930 42 A HA -0.108 4.208 4.320 -0.006 0.000 0.217 42 A C 2.466 180.052 177.584 0.003 0.000 1.175 42 A CA 1.565 53.609 52.037 0.011 0.000 0.627 42 A CB -0.618 18.382 19.000 0.001 0.000 0.815 42 A HN 0.193 nan 8.150 nan 0.000 0.443 43 V N -0.391 119.513 119.914 -0.015 0.000 2.307 43 V HA -0.203 3.914 4.120 -0.006 0.000 0.245 43 V C 2.717 178.808 176.094 -0.006 0.000 1.045 43 V CA 2.413 64.688 62.300 -0.042 0.000 1.024 43 V CB -1.344 30.433 31.823 -0.076 0.000 0.651 43 V HN 0.580 nan 8.190 nan 0.000 0.449 44 T N 0.666 115.242 114.554 0.036 0.000 2.720 44 T HA -0.179 4.167 4.350 -0.006 0.000 0.268 44 T C 2.065 176.797 174.700 0.054 0.000 1.037 44 T CA 1.644 63.787 62.100 0.072 0.000 1.144 44 T CB -0.462 68.496 68.868 0.150 0.000 0.864 44 T HN 0.564 nan 8.240 nan 0.000 0.444 45 A N 1.647 124.495 122.820 0.047 0.000 1.933 45 A HA -0.126 4.190 4.320 -0.006 0.000 0.218 45 A C 2.278 179.888 177.584 0.042 0.000 1.175 45 A CA 1.421 53.482 52.037 0.040 0.000 0.628 45 A CB -0.345 18.677 19.000 0.036 0.000 0.814 45 A HN 0.443 nan 8.150 nan 0.000 0.444 46 K N -0.632 119.801 120.400 0.055 0.000 2.116 46 K HA 0.031 4.347 4.320 -0.006 0.000 0.203 46 K C 1.857 178.557 176.600 0.167 0.000 1.052 46 K CA 1.083 57.433 56.287 0.105 0.000 0.952 46 K CB -0.254 32.313 32.500 0.110 0.000 0.729 46 K HN 0.298 nan 8.250 nan 0.000 0.446 47 V N 2.900 122.896 119.914 0.137 0.000 2.407 47 V HA -0.240 3.876 4.120 -0.006 0.000 0.248 47 V C 2.273 178.398 176.094 0.051 0.000 1.055 47 V CA 2.101 64.491 62.300 0.150 0.000 1.049 47 V CB -0.632 31.229 31.823 0.063 0.000 0.662 47 V HN 0.478 nan 8.190 nan 0.000 0.455 48 E N -0.216 119.997 120.200 0.022 0.000 2.409 48 E HA -0.186 4.161 4.350 -0.006 0.000 0.198 48 E C 1.518 178.056 176.600 -0.104 0.000 1.024 48 E CA 0.726 57.129 56.400 0.003 0.000 0.861 48 E CB -0.071 29.649 29.700 0.033 0.000 0.788 48 E HN 0.381 nan 8.360 nan 0.000 0.521 49 K N 0.362 120.630 120.400 -0.220 0.000 2.358 49 K HA 0.140 4.457 4.320 -0.006 0.000 0.200 49 K C -0.484 175.491 176.600 -1.042 0.000 1.030 49 K CA -0.259 55.698 56.287 -0.551 0.000 1.097 49 K CB 0.113 32.480 32.500 -0.220 0.000 0.862 49 K HN 0.118 nan 8.250 nan 0.000 0.534 50 F N 1.595 121.047 119.950 -0.830 0.000 2.424 50 F HA 0.300 4.824 4.527 -0.005 0.000 0.356 50 F C -0.619 174.738 175.800 -0.739 0.000 1.110 50 F CA -0.843 56.671 58.000 -0.810 0.000 1.161 50 F CB 0.275 38.796 39.000 -0.798 0.000 1.115 50 F HN -0.224 nan 8.300 nan 0.000 0.507 51 F N 5.279 124.741 119.950 -0.813 0.000 2.546 51 F HA 0.677 5.201 4.527 -0.006 0.000 0.320 51 F C -0.539 174.939 175.800 -0.537 0.000 1.076 51 F CA -1.435 56.278 58.000 -0.478 0.000 0.928 51 F CB 1.598 40.434 39.000 -0.273 0.000 1.189 51 F HN 0.219 nan 8.300 nan 0.000 0.465 52 V N 1.994 121.908 119.914 -0.000 0.000 2.686 52 V HA 0.844 4.961 4.120 -0.006 0.000 0.306 52 V C -0.709 175.426 176.094 0.068 0.000 1.065 52 V CA -0.830 61.517 62.300 0.078 0.000 0.894 52 V CB 1.545 33.470 31.823 0.170 0.000 1.004 52 V HN 1.040 nan 8.190 nan 0.000 0.424 53 A N 5.319 128.186 122.820 0.077 0.000 2.440 53 A HA 0.579 4.895 4.320 -0.006 0.000 0.251 53 A C -0.114 177.444 177.584 -0.044 0.000 1.089 53 A CA 0.222 52.263 52.037 0.006 0.000 0.779 53 A CB 0.969 19.985 19.000 0.027 0.000 1.022 53 A HN 1.549 nan 8.150 nan 0.000 0.492 54 V N 5.124 124.975 119.914 -0.104 0.000 2.465 54 V HA 0.517 4.634 4.120 -0.006 0.000 0.279 54 V C -2.199 173.721 176.094 -0.290 0.000 1.045 54 V CA -2.163 60.035 62.300 -0.169 0.000 0.938 54 V CB 1.645 33.381 31.823 -0.145 0.000 0.986 54 V HN 0.841 nan 8.190 nan 0.000 0.467 55 P HA 0.178 nan 4.420 nan 0.000 0.281 55 P C 0.641 177.523 177.300 -0.698 0.000 1.252 55 P CA -0.066 62.402 63.100 -1.052 0.000 0.778 55 P CB 1.575 32.156 31.700 -1.865 0.000 0.895 56 S N 2.864 118.336 115.700 -0.380 0.000 2.399 56 S HA -0.174 4.293 4.470 -0.006 0.000 0.231 56 S C 1.502 176.140 174.600 0.064 0.000 1.022 56 S CA 0.689 58.880 58.200 -0.016 0.000 0.983 56 S CB -1.406 61.927 63.200 0.222 0.000 0.803 56 S HN 0.694 nan 8.310 nan 0.000 0.480 57 W N 1.698 123.083 121.300 0.142 0.000 3.077 57 W HA 0.551 5.208 4.660 -0.006 0.000 0.245 57 W C 1.626 178.106 176.519 -0.065 0.000 1.316 57 W CA -0.194 57.197 57.345 0.076 0.000 1.537 57 W CB -0.666 28.922 29.460 0.214 0.000 1.131 57 W HN 0.222 nan 8.180 nan 0.000 0.695 58 G N 0.621 109.226 108.800 -0.326 0.000 2.986 58 G HA2 -0.042 3.915 3.960 -0.006 0.000 0.213 58 G HA3 -0.042 3.915 3.960 -0.006 0.000 0.213 58 G C 1.091 176.043 174.900 0.086 0.000 1.156 58 G CA 0.539 45.544 45.100 -0.157 0.000 0.763 58 G HN 0.265 nan 8.290 nan 0.000 0.547 59 V N 0.830 120.753 119.914 0.015 0.000 2.951 59 V HA 0.368 4.484 4.120 -0.006 0.000 0.255 59 V C 1.396 177.545 176.094 0.091 0.000 1.088 59 V CA 1.175 63.496 62.300 0.035 0.000 1.109 59 V CB -0.282 31.552 31.823 0.018 0.000 0.724 59 V HN 0.231 nan 8.190 nan 0.000 0.471 60 G N -0.350 108.521 108.800 0.118 0.000 2.434 60 G HA2 0.449 4.405 3.960 -0.006 0.000 0.330 60 G HA3 0.449 4.405 3.960 -0.006 0.000 0.330 60 G C -0.347 174.655 174.900 0.170 0.000 1.155 60 G CA -0.210 44.965 45.100 0.124 0.000 0.917 60 G HN 0.219 nan 8.290 nan 0.000 0.493 61 T N 0.591 115.238 114.554 0.155 0.000 2.928 61 T HA 0.430 4.777 4.350 -0.006 0.000 0.305 61 T C 1.041 175.852 174.700 0.185 0.000 1.035 61 T CA 0.621 62.831 62.100 0.183 0.000 1.145 61 T CB 1.072 70.034 68.868 0.157 0.000 0.963 61 T HN 0.713 nan 8.240 nan 0.000 0.545 62 G N 0.810 109.751 108.800 0.234 0.000 2.537 62 G HA2 0.735 4.692 3.960 -0.006 0.000 0.297 62 G HA3 0.735 4.692 3.960 -0.006 0.000 0.297 62 G C -0.075 174.869 174.900 0.074 0.000 1.310 62 G CA -0.348 44.876 45.100 0.206 0.000 1.027 62 G HN 0.994 nan 8.290 nan 0.000 0.505 63 G N -2.106 106.664 108.800 -0.051 0.000 2.645 63 G HA2 0.681 4.638 3.960 -0.006 0.000 0.292 63 G HA3 0.681 4.638 3.960 -0.006 0.000 0.292 63 G C -0.480 174.363 174.900 -0.096 0.000 1.415 63 G CA 0.382 45.450 45.100 -0.054 0.000 0.785 63 G HN 1.125 nan 8.290 nan 0.000 0.483 64 T N -2.886 111.646 114.554 -0.037 0.000 2.841 64 T HA 0.462 4.809 4.350 -0.006 0.000 0.276 64 T C 1.442 176.098 174.700 -0.073 0.000 1.003 64 T CA -0.184 61.907 62.100 -0.015 0.000 0.995 64 T CB 1.670 70.619 68.868 0.135 0.000 1.260 64 T HN 0.819 nan 8.240 nan 0.000 0.581 65 R N -0.638 119.778 120.500 -0.140 0.000 2.285 65 R HA 0.112 4.449 4.340 -0.006 0.000 0.213 65 R C 1.057 177.125 176.300 -0.387 0.000 1.068 65 R CA 1.054 56.985 56.100 -0.282 0.000 1.004 65 R CB -0.673 29.404 30.300 -0.373 0.000 0.873 65 R HN 0.510 nan 8.270 nan 0.000 0.467 66 F N 0.864 120.797 119.950 -0.029 0.000 2.374 66 F HA 0.399 4.923 4.527 -0.005 0.000 0.291 66 F C 1.109 176.860 175.800 -0.083 0.000 1.084 66 F CA 0.596 58.579 58.000 -0.029 0.000 1.413 66 F CB 0.383 39.387 39.000 0.006 0.000 1.099 66 F HN 0.216 nan 8.300 nan 0.000 0.534 67 A N -0.412 122.414 122.820 0.010 0.000 2.567 67 A HA 0.652 4.968 4.320 -0.006 0.000 0.291 67 A C -1.265 176.085 177.584 -0.390 0.000 1.048 67 A CA -0.837 51.045 52.037 -0.258 0.000 0.661 67 A CB 1.018 19.753 19.000 -0.441 0.000 1.288 67 A HN 0.058 nan 8.150 nan 0.000 0.424 68 R N 0.122 120.291 120.500 -0.552 0.000 2.575 68 R HA 0.717 5.054 4.340 -0.006 0.000 0.293 68 R C -2.144 173.835 176.300 -0.535 0.000 0.983 68 R CA -0.484 55.386 56.100 -0.383 0.000 0.887 68 R CB 0.927 31.120 30.300 -0.178 0.000 1.184 68 R HN 0.573 nan 8.270 nan 0.000 0.445 69 F N 5.616 125.595 119.950 0.050 0.000 2.453 69 F HA 0.351 4.876 4.527 -0.004 0.000 0.358 69 F C -1.693 174.140 175.800 0.054 0.000 1.129 69 F CA -2.073 55.957 58.000 0.050 0.000 1.200 69 F CB 1.122 40.153 39.000 0.052 0.000 1.431 69 F HN 0.318 nan 8.300 nan 0.000 0.503 70 P HA 0.206 nan 4.420 nan 0.000 0.269 70 P C 0.315 177.695 177.300 0.133 0.000 1.215 70 P CA 0.082 63.258 63.100 0.127 0.000 0.780 70 P CB 1.471 33.219 31.700 0.080 0.000 0.898 71 G N 0.943 109.813 108.800 0.117 0.000 2.606 71 G HA2 0.545 4.502 3.960 -0.006 0.000 0.262 71 G HA3 0.545 4.502 3.960 -0.006 0.000 0.262 71 G C -0.311 174.638 174.900 0.082 0.000 1.394 71 G CA -0.380 44.782 45.100 0.102 0.000 1.044 71 G HN 0.672 nan 8.290 nan 0.000 0.553 72 T N -3.585 111.012 114.554 0.072 0.000 2.899 72 T HA 0.461 4.807 4.350 -0.006 0.000 0.284 72 T C 1.186 175.918 174.700 0.053 0.000 1.004 72 T CA 0.713 62.845 62.100 0.053 0.000 1.043 72 T CB 1.083 69.974 68.868 0.038 0.000 1.013 72 T HN 2.170 nan 8.240 nan 0.000 0.518 73 G N 1.302 110.123 108.800 0.034 0.000 2.305 73 G HA2 -0.197 3.760 3.960 -0.006 0.000 0.287 73 G HA3 -0.197 3.760 3.960 -0.006 0.000 0.287 73 G C -0.043 174.889 174.900 0.053 0.000 1.036 73 G CA -0.100 45.016 45.100 0.026 0.000 0.887 73 G HN 0.887 nan 8.290 nan 0.000 0.505 74 E N 0.276 120.512 120.200 0.060 0.000 2.414 74 E HA 0.185 4.532 4.350 -0.006 0.000 0.263 74 E C -1.959 174.683 176.600 0.070 0.000 1.000 74 E CA -1.540 54.902 56.400 0.071 0.000 0.914 74 E CB 0.398 30.137 29.700 0.065 0.000 0.948 74 E HN 0.211 nan 8.360 nan 0.000 0.444 75 P HA 0.046 nan 4.420 nan 0.000 0.264 75 P C -0.125 177.223 177.300 0.081 0.000 1.193 75 P CA 0.258 63.411 63.100 0.089 0.000 0.763 75 P CB 0.356 32.115 31.700 0.098 0.000 0.810 76 R N 2.589 123.142 120.500 0.089 0.000 3.732 76 R HA 0.468 4.805 4.340 -0.006 0.000 0.258 76 R C 0.801 177.168 176.300 0.110 0.000 1.661 76 R CA -0.126 56.028 56.100 0.088 0.000 1.424 76 R CB -0.509 29.844 30.300 0.087 0.000 1.308 76 R HN 0.790 nan 8.270 nan 0.000 0.634 77 G N 0.201 109.063 108.800 0.104 0.000 2.353 77 G HA2 -0.202 3.754 3.960 -0.006 0.000 0.615 77 G HA3 -0.202 3.754 3.960 -0.006 0.000 0.615 77 G C 0.052 175.005 174.900 0.087 0.000 1.280 77 G CA -0.663 44.502 45.100 0.109 0.000 1.000 77 G HN 0.108 nan 8.290 nan 0.000 0.516 78 I N -0.258 120.318 120.570 0.011 0.000 2.286 78 I HA 0.083 4.249 4.170 -0.006 0.000 0.248 78 I C 2.420 178.449 176.117 -0.147 0.000 1.115 78 I CA 1.861 63.102 61.300 -0.098 0.000 1.392 78 I CB -0.505 37.352 38.000 -0.240 0.000 1.065 78 I HN 0.465 nan 8.210 nan 0.000 0.418 79 F N 0.712 120.730 119.950 0.112 0.000 2.186 79 F HA -0.162 4.361 4.527 -0.006 0.000 0.299 79 F C 2.308 178.166 175.800 0.095 0.000 1.090 79 F CA 1.490 59.551 58.000 0.101 0.000 1.307 79 F CB -0.964 38.085 39.000 0.082 0.000 1.019 79 F HN 0.100 nan 8.300 nan 0.000 0.489 80 D N 0.169 120.714 120.400 0.243 0.000 2.144 80 D HA -0.116 4.521 4.640 -0.006 0.000 0.200 80 D C 2.116 178.506 176.300 0.149 0.000 0.978 80 D CA 1.058 55.165 54.000 0.178 0.000 0.833 80 D CB -0.258 40.628 40.800 0.144 0.000 0.961 80 D HN 0.221 nan 8.370 nan 0.000 0.470 81 K N 0.138 120.610 120.400 0.119 0.000 2.057 81 K HA -0.045 4.272 4.320 -0.006 0.000 0.207 81 K C 2.257 178.905 176.600 0.080 0.000 1.049 81 K CA 0.582 56.925 56.287 0.094 0.000 0.931 81 K CB -0.115 32.435 32.500 0.084 0.000 0.714 81 K HN 0.157 nan 8.250 nan 0.000 0.440 82 L N 1.090 122.366 121.223 0.088 0.000 2.046 82 L HA -0.217 4.119 4.340 -0.006 0.000 0.208 82 L C 1.870 178.785 176.870 0.075 0.000 1.077 82 L CA 1.060 55.945 54.840 0.075 0.000 0.747 82 L CB -0.481 41.646 42.059 0.113 0.000 0.896 82 L HN 0.173 nan 8.230 nan 0.000 0.432 83 D N 0.115 120.590 120.400 0.125 0.000 2.123 83 D HA -0.188 4.448 4.640 -0.006 0.000 0.196 83 D C 1.777 178.156 176.300 0.133 0.000 0.992 83 D CA 1.279 55.363 54.000 0.140 0.000 0.833 83 D CB -0.193 40.721 40.800 0.189 0.000 0.954 83 D HN 0.293 nan 8.370 nan 0.000 0.455 84 D N -0.445 120.041 120.400 0.143 0.000 2.144 84 D HA -0.072 4.564 4.640 -0.006 0.000 0.200 84 D C 2.143 178.432 176.300 -0.020 0.000 0.978 84 D CA 0.417 54.481 54.000 0.108 0.000 0.833 84 D CB -0.488 40.398 40.800 0.144 0.000 0.961 84 D HN 0.211 nan 8.370 nan 0.000 0.470 85 C N 1.007 120.295 119.300 -0.021 0.000 2.422 85 C HA -0.011 4.445 4.460 -0.006 0.000 0.279 85 C C 2.826 177.763 174.990 -0.088 0.000 1.305 85 C CA 0.639 59.614 59.018 -0.071 0.000 1.757 85 C CB -0.991 26.706 27.740 -0.072 0.000 1.962 85 C HN 0.351 nan 8.230 nan 0.000 0.499 86 A N 0.152 122.935 122.820 -0.063 0.000 1.972 86 A HA -0.081 4.235 4.320 -0.006 0.000 0.219 86 A C 2.246 179.779 177.584 -0.085 0.000 1.169 86 A CA 1.919 53.916 52.037 -0.067 0.000 0.635 86 A CB -0.528 18.453 19.000 -0.032 0.000 0.810 86 A HN 0.390 nan 8.150 nan 0.000 0.446 87 V N 0.212 120.045 119.914 -0.136 0.000 2.307 87 V HA -0.247 3.870 4.120 -0.006 0.000 0.245 87 V C 2.402 178.403 176.094 -0.155 0.000 1.045 87 V CA 1.956 64.135 62.300 -0.202 0.000 1.024 87 V CB -0.654 30.919 31.823 -0.416 0.000 0.651 87 V HN 0.591 nan 8.190 nan 0.000 0.449 88 I N 0.106 120.579 120.570 -0.162 0.000 2.208 88 I HA -0.305 3.862 4.170 -0.006 0.000 0.245 88 I C 2.639 178.696 176.117 -0.101 0.000 1.097 88 I CA 1.915 63.126 61.300 -0.148 0.000 1.363 88 I CB -0.427 37.483 38.000 -0.151 0.000 1.051 88 I HN 0.363 nan 8.210 nan 0.000 0.413 89 Q N 1.191 120.934 119.800 -0.095 0.000 2.079 89 Q HA -0.252 4.085 4.340 -0.006 0.000 0.200 89 Q C 2.154 178.126 176.000 -0.048 0.000 0.974 89 Q CA 1.735 57.490 55.803 -0.079 0.000 0.840 89 Q CB -0.381 28.292 28.738 -0.108 0.000 0.898 89 Q HN 0.477 nan 8.270 nan 0.000 0.430 90 Q N -0.599 119.180 119.800 -0.036 0.000 2.084 90 Q HA -0.134 4.203 4.340 -0.006 0.000 0.202 90 Q C 1.903 177.903 176.000 0.000 0.000 0.978 90 Q CA 1.605 57.414 55.803 0.009 0.000 0.844 90 Q CB -0.021 28.743 28.738 0.045 0.000 0.898 90 Q HN 0.523 nan 8.270 nan 0.000 0.426 91 L N -0.571 120.637 121.223 -0.024 0.000 2.162 91 L HA -0.038 4.298 4.340 -0.006 0.000 0.205 91 L C 2.553 179.411 176.870 -0.020 0.000 1.086 91 L CA 1.446 56.273 54.840 -0.022 0.000 0.778 91 L CB -0.303 41.738 42.059 -0.029 0.000 0.928 91 L HN 0.352 nan 8.230 nan 0.000 0.446 92 T N -4.838 109.700 114.554 -0.026 0.000 3.040 92 T HA 0.045 4.392 4.350 -0.006 0.000 0.252 92 T C 1.164 175.877 174.700 0.021 0.000 1.064 92 T CA -0.315 61.778 62.100 -0.011 0.000 1.110 92 T CB 0.207 69.062 68.868 -0.023 0.000 0.921 92 T HN 0.104 nan 8.240 nan 0.000 0.480 93 R N 0.383 120.895 120.500 0.020 0.000 3.863 93 R HA -0.158 4.178 4.340 -0.006 0.000 0.313 93 R C 0.870 177.257 176.300 0.145 0.000 1.202 93 R CA 0.884 57.016 56.100 0.054 0.000 0.852 93 R CB -2.426 27.916 30.300 0.070 0.000 1.292 93 R HN 0.717 nan 8.270 nan 0.000 0.519 94 A N -0.270 122.621 122.820 0.119 0.000 2.431 94 A HA 0.173 4.490 4.320 -0.006 0.000 0.239 94 A C 0.868 178.550 177.584 0.163 0.000 1.230 94 A CA 0.840 53.011 52.037 0.223 0.000 0.928 94 A CB 0.463 19.542 19.000 0.132 0.000 1.006 94 A HN 0.296 nan 8.150 nan 0.000 0.520 95 T N -2.594 111.969 114.554 0.015 0.000 3.585 95 T HA 0.339 4.685 4.350 -0.006 0.000 0.252 95 T C -1.892 172.708 174.700 -0.165 0.000 1.382 95 T CA -0.971 61.092 62.100 -0.061 0.000 1.584 95 T CB 0.977 69.806 68.868 -0.064 0.000 0.892 95 T HN 0.097 nan 8.240 nan 0.000 0.671 96 P HA 0.024 nan 4.420 nan 0.000 0.226 96 P C -0.208 176.908 177.300 -0.306 0.000 1.153 96 P CA 0.477 63.362 63.100 -0.359 0.000 0.777 96 P CB 0.250 31.584 31.700 -0.610 0.000 0.794 97 N N -0.317 118.234 118.700 -0.249 0.000 2.319 97 N HA 0.332 5.069 4.740 -0.006 0.000 0.305 97 N C -0.816 174.594 175.510 -0.168 0.000 1.103 97 N CA -0.624 52.292 53.050 -0.224 0.000 0.815 97 N CB 2.638 41.033 38.487 -0.153 0.000 1.288 97 N HN -0.244 nan 8.380 nan 0.000 0.493 98 V N 0.711 120.520 119.914 -0.175 0.000 2.581 98 V HA 0.389 4.505 4.120 -0.006 0.000 0.303 98 V C 0.120 176.264 176.094 0.083 0.000 1.041 98 V CA -0.682 61.577 62.300 -0.068 0.000 0.907 98 V CB 1.849 33.636 31.823 -0.060 0.000 0.994 98 V HN 0.588 nan 8.190 nan 0.000 0.442 99 S N 5.086 120.809 115.700 0.039 0.000 2.438 99 S HA 0.623 5.090 4.470 -0.006 0.000 0.293 99 S C -0.356 174.400 174.600 0.260 0.000 1.141 99 S CA -0.432 57.851 58.200 0.139 0.000 1.080 99 S CB 0.466 63.706 63.200 0.067 0.000 0.978 99 S HN 0.457 nan 8.310 nan 0.000 0.479 100 L N 3.472 124.884 121.223 0.314 0.000 2.360 100 L HA 0.500 4.837 4.340 -0.006 0.000 0.271 100 L C 0.071 177.175 176.870 0.391 0.000 1.057 100 L CA -0.705 54.334 54.840 0.331 0.000 0.803 100 L CB 0.878 43.032 42.059 0.159 0.000 1.207 100 L HN 0.577 nan 8.230 nan 0.000 0.445 101 H N 3.546 122.837 119.070 0.370 0.000 2.658 101 H HA 0.452 5.004 4.556 -0.006 0.000 0.337 101 H C -1.035 174.339 175.328 0.076 0.000 1.009 101 H CA -0.558 55.609 56.048 0.198 0.000 1.231 101 H CB 1.776 31.669 29.762 0.219 0.000 1.508 101 H HN 0.236 nan 8.280 nan 0.000 0.517 102 I N 6.908 127.543 120.570 0.107 0.000 2.412 102 I HA 0.194 4.360 4.170 -0.006 0.000 0.296 102 I C -1.626 174.545 176.117 0.090 0.000 0.987 102 I CA -2.669 58.690 61.300 0.099 0.000 1.180 102 I CB 1.736 39.749 38.000 0.021 0.000 1.340 102 I HN 0.457 nan 8.210 nan 0.000 0.455 103 P HA -0.031 nan 4.420 nan 0.000 0.249 103 P C 1.118 178.557 177.300 0.231 0.000 1.229 103 P CA 0.439 63.615 63.100 0.127 0.000 0.788 103 P CB 0.209 31.977 31.700 0.114 0.000 1.072 104 W N 1.975 123.361 121.300 0.144 0.000 2.318 104 W HA -0.121 4.535 4.660 -0.006 0.000 0.313 104 W C 1.052 177.641 176.519 0.117 0.000 1.221 104 W CA 1.197 58.618 57.345 0.128 0.000 1.266 104 W CB -1.702 27.852 29.460 0.156 0.000 1.150 104 W HN 0.121 nan 8.180 nan 0.000 0.496 105 D N -0.363 120.253 120.400 0.360 0.000 2.388 105 D HA 0.016 4.653 4.640 -0.006 0.000 0.221 105 D C 0.420 176.770 176.300 0.083 0.000 1.133 105 D CA 0.057 54.172 54.000 0.191 0.000 0.831 105 D CB -0.248 40.668 40.800 0.193 0.000 0.962 105 D HN 0.086 nan 8.370 nan 0.000 0.502 106 K N 1.350 121.815 120.400 0.109 0.000 2.472 106 K HA 0.279 4.595 4.320 -0.006 0.000 0.280 106 K C -0.442 176.189 176.600 0.051 0.000 1.028 106 K CA 0.103 56.429 56.287 0.065 0.000 1.045 106 K CB 0.363 32.913 32.500 0.083 0.000 0.902 106 K HN 0.061 nan 8.250 nan 0.000 0.478 107 A N 3.627 126.466 122.820 0.031 0.000 2.540 107 A HA 0.182 4.498 4.320 -0.006 0.000 0.291 107 A C -1.656 175.974 177.584 0.076 0.000 1.083 107 A CA -0.883 51.200 52.037 0.077 0.000 0.650 107 A CB 0.737 19.772 19.000 0.058 0.000 1.292 107 A HN 0.798 nan 8.150 nan 0.000 0.435 108 D N 0.614 121.093 120.400 0.132 0.000 2.412 108 D HA 0.323 4.960 4.640 -0.006 0.000 0.257 108 D C -1.542 174.805 176.300 0.078 0.000 1.217 108 D CA -0.783 53.274 54.000 0.096 0.000 0.897 108 D CB 0.881 41.745 40.800 0.107 0.000 1.132 108 D HN 0.104 nan 8.370 nan 0.000 0.493 109 P HA -0.212 nan 4.420 nan 0.000 0.216 109 P C 1.120 178.431 177.300 0.019 0.000 1.150 109 P CA 1.204 64.294 63.100 -0.016 0.000 0.843 109 P CB 0.205 31.889 31.700 -0.027 0.000 0.787 110 K N -0.056 120.370 120.400 0.044 0.000 2.057 110 K HA -0.141 4.175 4.320 -0.006 0.000 0.207 110 K C 1.923 178.582 176.600 0.098 0.000 1.049 110 K CA 1.433 57.756 56.287 0.059 0.000 0.931 110 K CB -0.579 31.949 32.500 0.045 0.000 0.714 110 K HN 0.371 nan 8.250 nan 0.000 0.440 111 E N 0.640 120.923 120.200 0.137 0.000 2.107 111 E HA -0.083 4.263 4.350 -0.006 0.000 0.191 111 E C 2.250 179.062 176.600 0.354 0.000 0.982 111 E CA 0.530 57.057 56.400 0.212 0.000 0.809 111 E CB -0.110 29.736 29.700 0.243 0.000 0.756 111 E HN 0.172 nan 8.360 nan 0.000 0.459 112 L N 1.062 122.453 121.223 0.280 0.000 2.017 112 L HA -0.217 4.120 4.340 -0.006 0.000 0.208 112 L C 2.587 179.624 176.870 0.278 0.000 1.073 112 L CA 1.161 56.116 54.840 0.192 0.000 0.745 112 L CB -0.318 41.670 42.059 -0.118 0.000 0.894 112 L HN 0.036 nan 8.230 nan 0.000 0.432 113 K N 0.521 121.034 120.400 0.187 0.000 2.057 113 K HA -0.119 4.197 4.320 -0.006 0.000 0.207 113 K C 1.981 178.715 176.600 0.224 0.000 1.049 113 K CA 1.566 58.011 56.287 0.263 0.000 0.931 113 K CB -0.331 32.256 32.500 0.146 0.000 0.714 113 K HN 0.228 nan 8.250 nan 0.000 0.440 114 A N 0.583 123.507 122.820 0.173 0.000 1.902 114 A HA -0.134 4.182 4.320 -0.006 0.000 0.217 114 A C 2.193 179.857 177.584 0.134 0.000 1.181 114 A CA 1.830 53.942 52.037 0.124 0.000 0.623 114 A CB -0.570 18.485 19.000 0.092 0.000 0.818 114 A HN 0.322 nan 8.150 nan 0.000 0.443 115 R N 0.064 120.691 120.500 0.212 0.000 2.075 115 R HA -0.014 4.322 4.340 -0.006 0.000 0.232 115 R C 2.148 178.537 176.300 0.148 0.000 1.126 115 R CA 1.875 58.102 56.100 0.210 0.000 0.963 115 R CB -1.363 29.169 30.300 0.386 0.000 0.858 115 R HN 0.371 nan 8.270 nan 0.000 0.435 116 G N 0.373 109.286 108.800 0.188 0.000 2.459 116 G HA2 -0.263 3.693 3.960 -0.006 0.000 0.217 116 G HA3 -0.263 3.693 3.960 -0.006 0.000 0.217 116 G C 1.004 175.882 174.900 -0.037 0.000 1.183 116 G CA 1.050 46.157 45.100 0.012 0.000 0.776 116 G HN 0.350 nan 8.290 nan 0.000 0.552 117 D N 1.076 121.491 120.400 0.024 0.000 2.123 117 D HA -0.060 4.576 4.640 -0.006 0.000 0.196 117 D C 2.811 179.092 176.300 -0.030 0.000 0.992 117 D CA 1.270 55.265 54.000 -0.009 0.000 0.833 117 D CB -0.515 40.297 40.800 0.020 0.000 0.954 117 D HN 0.315 nan 8.370 nan 0.000 0.455 118 A N 0.442 123.257 122.820 -0.009 0.000 1.972 118 A HA -0.092 4.224 4.320 -0.006 0.000 0.219 118 A C 2.267 179.812 177.584 -0.066 0.000 1.169 118 A CA 0.891 52.909 52.037 -0.031 0.000 0.635 118 A CB -0.565 18.433 19.000 -0.004 0.000 0.810 118 A HN 0.235 nan 8.150 nan 0.000 0.446 119 L N -1.575 119.615 121.223 -0.056 0.000 2.529 119 L HA 0.231 4.568 4.340 -0.006 0.000 0.223 119 L C 1.468 178.269 176.870 -0.114 0.000 1.113 119 L CA 0.483 55.275 54.840 -0.080 0.000 0.861 119 L CB -0.106 41.925 42.059 -0.047 0.000 1.012 119 L HN 0.561 nan 8.230 nan 0.000 0.461 120 G N 1.125 109.854 108.800 -0.119 0.000 2.204 120 G HA2 -0.235 3.722 3.960 -0.006 0.000 0.244 120 G HA3 -0.235 3.722 3.960 -0.006 0.000 0.244 120 G C -0.269 174.525 174.900 -0.175 0.000 1.062 120 G CA -0.192 44.827 45.100 -0.135 0.000 0.798 120 G HN 0.198 nan 8.290 nan 0.000 0.496 121 L N -0.495 120.601 121.223 -0.212 0.000 2.354 121 L HA 0.851 5.188 4.340 -0.006 0.000 0.269 121 L C 0.936 177.541 176.870 -0.441 0.000 1.005 121 L CA -0.588 54.062 54.840 -0.316 0.000 0.819 121 L CB 2.086 43.945 42.059 -0.333 0.000 1.311 121 L HN 0.258 nan 8.230 nan 0.000 0.423 122 G N 0.376 108.891 108.800 -0.476 0.000 2.820 122 G HA2 0.746 4.703 3.960 -0.006 0.000 0.291 122 G HA3 0.746 4.703 3.960 -0.006 0.000 0.291 122 G C -1.591 172.888 174.900 -0.703 0.000 1.323 122 G CA -0.390 44.427 45.100 -0.471 0.000 1.055 122 G HN 0.254 nan 8.290 nan 0.000 0.520 123 F N -0.044 119.875 119.950 -0.051 0.000 2.518 123 F HA 0.375 4.899 4.527 -0.005 0.000 0.323 123 F C 0.354 176.122 175.800 -0.054 0.000 1.129 123 F CA -0.885 57.092 58.000 -0.038 0.000 0.920 123 F CB 2.220 41.210 39.000 -0.016 0.000 1.160 123 F HN 0.353 nan 8.300 nan 0.000 0.440 124 D N 1.171 121.648 120.400 0.127 0.000 2.430 124 D HA 0.510 5.147 4.640 -0.006 0.000 0.285 124 D C -0.082 176.251 176.300 0.055 0.000 1.210 124 D CA -0.231 53.806 54.000 0.061 0.000 1.080 124 D CB 1.300 42.139 40.800 0.065 0.000 1.134 124 D HN 0.613 nan 8.370 nan 0.000 0.562 125 A N 0.615 123.473 122.820 0.063 0.000 2.531 125 A HA 0.154 4.471 4.320 -0.006 0.000 0.236 125 A C 0.601 178.240 177.584 0.091 0.000 1.062 125 A CA 0.122 52.183 52.037 0.039 0.000 0.760 125 A CB 0.025 19.138 19.000 0.188 0.000 0.995 125 A HN 0.413 nan 8.150 nan 0.000 0.501 126 M N 2.130 121.755 119.600 0.041 0.000 2.255 126 M HA 0.216 4.693 4.480 -0.006 0.000 0.336 126 M C 0.017 176.346 176.300 0.048 0.000 1.135 126 M CA 0.161 55.502 55.300 0.068 0.000 1.145 126 M CB 0.252 32.902 32.600 0.083 0.000 1.473 126 M HN 0.669 nan 8.290 nan 0.000 0.462 127 N N 0.939 119.608 118.700 -0.053 0.000 2.399 127 N HA 0.321 5.057 4.740 -0.006 0.000 0.284 127 N C -0.884 174.401 175.510 -0.375 0.000 1.025 127 N CA -0.238 52.656 53.050 -0.260 0.000 0.885 127 N CB 1.875 40.003 38.487 -0.599 0.000 1.339 127 N HN 0.628 nan 8.380 nan 0.000 0.487 128 S N 1.495 117.097 115.700 -0.162 0.000 2.652 128 S HA 0.357 4.823 4.470 -0.006 0.000 0.270 128 S C -0.028 174.615 174.600 0.071 0.000 1.243 128 S CA -0.711 57.495 58.200 0.010 0.000 0.999 128 S CB 1.566 64.801 63.200 0.057 0.000 0.973 128 S HN 0.558 nan 8.310 nan 0.000 0.544 129 N N 0.709 119.482 118.700 0.121 0.000 2.617 129 N HA 0.254 4.991 4.740 -0.006 0.000 0.263 129 N C -0.659 174.407 175.510 -0.740 0.000 1.074 129 N CA -0.381 52.370 53.050 -0.498 0.000 0.841 129 N CB 1.290 39.322 38.487 -0.758 0.000 1.221 129 N HN 0.849 nan 8.380 nan 0.000 0.529 130 T N 0.019 114.193 114.554 -0.633 0.000 3.331 130 T HA 0.225 4.571 4.350 -0.006 0.000 0.282 130 T C 0.405 174.755 174.700 -0.584 0.000 1.010 130 T CA -0.493 61.106 62.100 -0.835 0.000 0.928 130 T CB -1.220 67.038 68.868 -1.016 0.000 1.154 130 T HN 0.262 nan 8.240 nan 0.000 0.516 131 F N 0.437 120.246 119.950 -0.235 0.000 2.654 131 F HA 0.664 5.187 4.527 -0.005 0.000 0.303 131 F C 0.137 175.942 175.800 0.008 0.000 1.099 131 F CA -1.110 56.798 58.000 -0.154 0.000 1.270 131 F CB -0.235 38.647 39.000 -0.197 0.000 1.024 131 F HN 0.308 nan 8.300 nan 0.000 0.548 132 S N -1.300 114.364 115.700 -0.061 0.000 2.547 132 S HA 0.444 4.910 4.470 -0.006 0.000 0.270 132 S C -1.746 172.888 174.600 0.056 0.000 1.150 132 S CA -0.974 57.258 58.200 0.052 0.000 0.850 132 S CB 1.971 65.209 63.200 0.063 0.000 1.118 132 S HN 0.020 nan 8.310 nan 0.000 0.461 133 D N 1.360 121.782 120.400 0.036 0.000 2.225 133 D HA 0.674 5.311 4.640 -0.006 0.000 0.248 133 D C 0.104 176.383 176.300 -0.035 0.000 1.096 133 D CA 0.048 54.023 54.000 -0.041 0.000 0.863 133 D CB 1.694 42.441 40.800 -0.087 0.000 1.156 133 D HN 0.853 nan 8.370 nan 0.000 0.450 134 A N 3.095 125.878 122.820 -0.061 0.000 2.294 134 A HA 0.665 4.981 4.320 -0.006 0.000 0.330 134 A C -2.367 175.193 177.584 -0.040 0.000 1.133 134 A CA -1.401 50.620 52.037 -0.028 0.000 0.836 134 A CB 0.368 19.354 19.000 -0.024 0.000 1.190 134 A HN 0.312 nan 8.150 nan 0.000 0.492 135 P HA 0.317 nan 4.420 nan 0.000 0.266 135 P C 0.899 178.178 177.300 -0.036 0.000 1.195 135 P CA 1.808 64.895 63.100 -0.022 0.000 0.768 135 P CB 0.636 32.335 31.700 -0.001 0.000 0.838 136 G N 0.947 109.717 108.800 -0.050 0.000 2.159 136 G HA2 -0.262 3.695 3.960 -0.006 0.000 0.256 136 G HA3 -0.262 3.695 3.960 -0.006 0.000 0.256 136 G C 0.075 174.922 174.900 -0.088 0.000 0.977 136 G CA -0.321 44.744 45.100 -0.058 0.000 0.652 136 G HN 0.594 nan 8.290 nan 0.000 0.531 137 Q N -0.343 119.386 119.800 -0.118 0.000 2.332 137 Q HA 0.566 4.902 4.340 -0.006 0.000 0.263 137 Q C 1.553 177.423 176.000 -0.216 0.000 0.979 137 Q CA 0.174 55.874 55.803 -0.171 0.000 0.885 137 Q CB 1.225 29.813 28.738 -0.249 0.000 1.218 137 Q HN 0.530 nan 8.270 nan 0.000 0.405 138 A N 3.671 126.331 122.820 -0.267 0.000 2.067 138 A HA -0.042 4.275 4.320 -0.006 0.000 0.217 138 A C 0.180 177.327 177.584 -0.728 0.000 1.156 138 A CA 0.893 52.657 52.037 -0.455 0.000 0.683 138 A CB 0.202 18.909 19.000 -0.489 0.000 0.808 138 A HN 0.656 nan 8.150 nan 0.000 0.455 139 H N -1.030 117.914 119.070 -0.210 0.000 2.771 139 H HA 0.407 4.960 4.556 -0.006 0.000 0.361 139 H C -0.859 174.226 175.328 -0.405 0.000 1.108 139 H CA -0.581 55.313 56.048 -0.256 0.000 1.201 139 H CB 1.613 31.224 29.762 -0.252 0.000 1.681 139 H HN 0.159 nan 8.280 nan 0.000 0.534 140 S N 1.255 116.849 115.700 -0.178 0.000 2.610 140 S HA 0.160 4.627 4.470 -0.006 0.000 0.273 140 S C -0.030 174.469 174.600 -0.169 0.000 1.274 140 S CA -0.402 57.660 58.200 -0.231 0.000 1.023 140 S CB 0.312 63.461 63.200 -0.085 0.000 0.962 140 S HN 0.455 nan 8.310 nan 0.000 0.523 141 Y N 2.484 122.783 120.300 -0.001 0.000 2.532 141 Y HA 0.314 4.860 4.550 -0.006 0.000 0.283 141 Y C 1.811 177.722 175.900 0.018 0.000 1.181 141 Y CA -0.488 57.632 58.100 0.032 0.000 1.256 141 Y CB -0.463 37.981 38.460 -0.025 0.000 1.112 141 Y HN 0.726 nan 8.280 nan 0.000 0.521 142 K N 0.040 120.468 120.400 0.047 0.000 2.074 142 K HA -0.220 4.096 4.320 -0.006 0.000 0.209 142 K C 0.235 176.677 176.600 -0.263 0.000 1.048 142 K CA 1.912 58.079 56.287 -0.199 0.000 0.926 142 K CB -0.170 32.053 32.500 -0.462 0.000 0.713 142 K HN 0.313 nan 8.250 nan 0.000 0.444 143 Y N -0.233 120.176 120.300 0.181 0.000 2.658 143 Y HA 0.353 4.900 4.550 -0.006 0.000 0.276 143 Y C 0.545 176.447 175.900 0.004 0.000 1.167 143 Y CA 0.122 58.250 58.100 0.047 0.000 1.230 143 Y CB 1.096 39.515 38.460 -0.067 0.000 1.144 143 Y HN 0.293 nan 8.280 nan 0.000 0.529 144 G N -0.668 108.294 108.800 0.269 0.000 2.355 144 G HA2 0.226 4.183 3.960 -0.006 0.000 0.619 144 G HA3 0.226 4.183 3.960 -0.006 0.000 0.619 144 G C -0.059 175.047 174.900 0.344 0.000 1.337 144 G CA -0.248 44.983 45.100 0.220 0.000 0.993 144 G HN 0.284 nan 8.290 nan 0.000 0.599 145 S N -1.143 114.644 115.700 0.145 0.000 4.002 145 S HA 0.356 4.823 4.470 -0.006 0.000 0.167 145 S C 1.999 176.629 174.600 0.050 0.000 0.914 145 S CA 0.562 58.760 58.200 -0.003 0.000 1.110 145 S CB -0.260 62.611 63.200 -0.548 0.000 1.714 145 S HN 0.920 nan 8.310 nan 0.000 0.858 146 L N 2.812 124.024 121.223 -0.018 0.000 2.353 146 L HA 0.059 4.396 4.340 -0.006 0.000 0.220 146 L C 2.070 178.996 176.870 0.093 0.000 1.133 146 L CA 1.429 56.273 54.840 0.008 0.000 0.798 146 L CB -0.502 41.523 42.059 -0.057 0.000 0.922 146 L HN 0.717 nan 8.230 nan 0.000 0.445 147 S N -3.356 112.441 115.700 0.160 0.000 2.650 147 S HA 0.057 4.524 4.470 -0.006 0.000 0.240 147 S C 0.657 175.349 174.600 0.153 0.000 1.007 147 S CA -0.618 57.688 58.200 0.176 0.000 0.984 147 S CB -0.279 63.047 63.200 0.211 0.000 0.910 147 S HN 0.295 nan 8.310 nan 0.000 0.509 148 H N 2.885 122.005 119.070 0.082 0.000 2.948 148 H HA 0.054 4.606 4.556 -0.006 0.000 0.351 148 H C 1.620 176.980 175.328 0.054 0.000 1.079 148 H CA 1.695 57.796 56.048 0.089 0.000 1.407 148 H CB 1.449 31.276 29.762 0.109 0.000 1.373 148 H HN 0.455 nan 8.280 nan 0.000 0.605 149 T N 1.068 115.646 114.554 0.040 0.000 2.915 149 T HA -0.175 4.172 4.350 -0.006 0.000 0.269 149 T C 0.956 175.768 174.700 0.188 0.000 1.071 149 T CA 0.743 62.895 62.100 0.086 0.000 1.132 149 T CB -0.104 68.752 68.868 -0.020 0.000 0.878 149 T HN 0.447 nan 8.240 nan 0.000 0.479 150 N N 1.143 120.103 118.700 0.432 0.000 2.411 150 N HA 0.515 5.251 4.740 -0.006 0.000 0.259 150 N C 1.129 176.633 175.510 -0.010 0.000 1.103 150 N CA 0.341 53.464 53.050 0.122 0.000 0.954 150 N CB 0.980 39.442 38.487 -0.041 0.000 1.085 150 N HN 0.227 nan 8.380 nan 0.000 0.485 151 A N 3.983 126.784 122.820 -0.031 0.000 1.908 151 A HA -0.158 4.159 4.320 -0.006 0.000 0.218 151 A C 2.085 179.606 177.584 -0.105 0.000 1.181 151 A CA 1.963 53.972 52.037 -0.046 0.000 0.627 151 A CB -1.114 17.866 19.000 -0.033 0.000 0.818 151 A HN 0.773 nan 8.150 nan 0.000 0.445 152 A N -1.237 121.466 122.820 -0.196 0.000 1.972 152 A HA -0.050 4.267 4.320 -0.006 0.000 0.219 152 A C 2.260 179.613 177.584 -0.385 0.000 1.169 152 A CA 2.175 54.047 52.037 -0.275 0.000 0.635 152 A CB -1.063 17.728 19.000 -0.348 0.000 0.810 152 A HN 0.444 nan 8.150 nan 0.000 0.446 153 T N -0.337 113.914 114.554 -0.504 0.000 2.812 153 T HA -0.093 4.254 4.350 -0.006 0.000 0.264 153 T C 2.041 176.716 174.700 -0.042 0.000 1.042 153 T CA 1.311 63.204 62.100 -0.345 0.000 1.140 153 T CB -0.198 68.324 68.868 -0.578 0.000 0.870 153 T HN 0.517 nan 8.240 nan 0.000 0.445 154 R N 1.167 121.647 120.500 -0.032 0.000 2.081 154 R HA 0.065 4.402 4.340 -0.006 0.000 0.235 154 R C 2.839 179.144 176.300 0.009 0.000 1.131 154 R CA 1.252 57.364 56.100 0.020 0.000 0.960 154 R CB -0.512 29.797 30.300 0.016 0.000 0.856 154 R HN 0.353 nan 8.270 nan 0.000 0.436 155 A N 1.257 124.070 122.820 -0.013 0.000 1.933 155 A HA -0.247 4.070 4.320 -0.006 0.000 0.218 155 A C 2.140 179.745 177.584 0.034 0.000 1.175 155 A CA 1.414 53.450 52.037 -0.001 0.000 0.628 155 A CB -0.508 18.485 19.000 -0.011 0.000 0.814 155 A HN 0.389 nan 8.150 nan 0.000 0.444 156 Q N -0.555 119.284 119.800 0.065 0.000 2.084 156 Q HA -0.121 4.216 4.340 -0.006 0.000 0.202 156 Q C 2.149 178.250 176.000 0.169 0.000 0.978 156 Q CA 1.551 57.427 55.803 0.121 0.000 0.844 156 Q CB -0.326 28.504 28.738 0.154 0.000 0.898 156 Q HN 0.599 nan 8.270 nan 0.000 0.426 157 A N -0.104 122.822 122.820 0.177 0.000 1.930 157 A HA -0.092 4.224 4.320 -0.006 0.000 0.217 157 A C 2.178 179.801 177.584 0.065 0.000 1.175 157 A CA 1.268 53.367 52.037 0.104 0.000 0.627 157 A CB -0.542 18.430 19.000 -0.046 0.000 0.815 157 A HN 0.300 nan 8.150 nan 0.000 0.443 158 V N 0.072 120.003 119.914 0.029 0.000 2.295 158 V HA -0.229 3.888 4.120 -0.006 0.000 0.246 158 V C 2.623 178.718 176.094 0.001 0.000 1.049 158 V CA 2.387 64.682 62.300 -0.007 0.000 1.024 158 V CB -0.635 31.173 31.823 -0.025 0.000 0.648 158 V HN 0.694 nan 8.190 nan 0.000 0.447 159 E N -0.122 120.094 120.200 0.027 0.000 2.118 159 E HA -0.260 4.086 4.350 -0.006 0.000 0.195 159 E C 2.198 178.813 176.600 0.025 0.000 0.992 159 E CA 1.671 58.081 56.400 0.016 0.000 0.804 159 E CB -0.493 29.227 29.700 0.032 0.000 0.741 159 E HN 0.755 nan 8.360 nan 0.000 0.458 160 H N 0.038 119.101 119.070 -0.012 0.000 2.353 160 H HA -0.056 4.497 4.556 -0.006 0.000 0.300 160 H C 1.640 176.941 175.328 -0.045 0.000 1.090 160 H CA 1.601 57.637 56.048 -0.019 0.000 1.327 160 H CB 0.058 29.819 29.762 -0.002 0.000 1.383 160 H HN 0.195 nan 8.280 nan 0.000 0.508 161 N N 0.713 119.335 118.700 -0.130 0.000 2.166 161 N HA -0.113 4.624 4.740 -0.006 0.000 0.186 161 N C 2.333 177.733 175.510 -0.183 0.000 1.019 161 N CA 0.864 53.806 53.050 -0.180 0.000 0.856 161 N CB -0.022 38.424 38.487 -0.069 0.000 0.993 161 N HN 0.385 nan 8.380 nan 0.000 0.426 162 L N 1.213 122.350 121.223 -0.143 0.000 2.083 162 L HA -0.128 4.209 4.340 -0.006 0.000 0.209 162 L C 2.472 179.239 176.870 -0.173 0.000 1.083 162 L CA 1.003 55.751 54.840 -0.153 0.000 0.752 162 L CB -0.362 41.627 42.059 -0.116 0.000 0.899 162 L HN 0.230 nan 8.230 nan 0.000 0.433 163 E N -0.211 119.887 120.200 -0.170 0.000 2.110 163 E HA -0.231 4.116 4.350 -0.006 0.000 0.193 163 E C 2.324 178.815 176.600 -0.181 0.000 0.988 163 E CA 1.513 57.818 56.400 -0.158 0.000 0.804 163 E CB 0.022 29.641 29.700 -0.136 0.000 0.745 163 E HN 0.538 nan 8.360 nan 0.000 0.458 164 C N 0.394 119.546 119.300 -0.248 0.000 2.425 164 C HA -0.076 4.380 4.460 -0.006 0.000 0.277 164 C C 2.516 177.458 174.990 -0.081 0.000 1.280 164 C CA 0.334 59.243 59.018 -0.182 0.000 1.744 164 C CB -0.812 26.795 27.740 -0.222 0.000 1.989 164 C HN 0.495 nan 8.230 nan 0.000 0.491 165 I N 0.612 121.091 120.570 -0.151 0.000 2.252 165 I HA -0.148 4.019 4.170 -0.006 0.000 0.245 165 I C 2.578 178.513 176.117 -0.304 0.000 1.102 165 I CA 1.247 62.366 61.300 -0.301 0.000 1.385 165 I CB -0.520 37.188 38.000 -0.485 0.000 1.064 165 I HN 0.319 nan 8.210 nan 0.000 0.414 166 E N 0.911 120.981 120.200 -0.217 0.000 2.077 166 E HA -0.172 4.175 4.350 -0.006 0.000 0.193 166 E C 2.282 178.829 176.600 -0.089 0.000 0.989 166 E CA 1.296 57.598 56.400 -0.163 0.000 0.800 166 E CB -0.220 29.402 29.700 -0.129 0.000 0.746 166 E HN 0.525 nan 8.360 nan 0.000 0.452 167 I N 0.607 121.136 120.570 -0.068 0.000 2.226 167 I HA -0.188 3.979 4.170 -0.006 0.000 0.245 167 I C 2.480 178.592 176.117 -0.009 0.000 1.100 167 I CA 1.292 62.563 61.300 -0.048 0.000 1.374 167 I CB -0.563 37.400 38.000 -0.061 0.000 1.057 167 I HN 0.117 nan 8.210 nan 0.000 0.413 168 G N 0.882 109.738 108.800 0.093 0.000 2.418 168 G HA2 -0.243 3.714 3.960 -0.006 0.000 0.217 168 G HA3 -0.243 3.714 3.960 -0.006 0.000 0.217 168 G C 1.718 176.817 174.900 0.331 0.000 1.158 168 G CA 0.629 45.888 45.100 0.264 0.000 0.771 168 G HN 0.311 nan 8.290 nan 0.000 0.545 169 K N 0.562 121.129 120.400 0.278 0.000 2.103 169 K HA 0.007 4.324 4.320 -0.006 0.000 0.207 169 K C 2.833 179.500 176.600 0.111 0.000 1.048 169 K CA 1.095 57.504 56.287 0.203 0.000 0.930 169 K CB -0.200 32.271 32.500 -0.049 0.000 0.716 169 K HN 0.285 nan 8.250 nan 0.000 0.444 170 A N 1.357 124.204 122.820 0.045 0.000 2.014 170 A HA -0.058 4.259 4.320 -0.006 0.000 0.218 170 A C 1.981 179.579 177.584 0.023 0.000 1.163 170 A CA 1.061 53.110 52.037 0.020 0.000 0.652 170 A CB -0.555 18.439 19.000 -0.010 0.000 0.808 170 A HN 0.482 nan 8.150 nan 0.000 0.449 171 I N -6.047 114.525 120.570 0.004 0.000 3.968 171 I HA 0.510 4.677 4.170 -0.006 0.000 0.328 171 I C 1.122 177.325 176.117 0.143 0.000 1.290 171 I CA 0.725 62.019 61.300 -0.011 0.000 1.163 171 I CB 0.463 38.243 38.000 -0.367 0.000 1.024 171 I HN 0.303 nan 8.210 nan 0.000 0.413 172 G N 1.362 110.241 108.800 0.133 0.000 2.192 172 G HA2 -0.245 3.711 3.960 -0.006 0.000 0.193 172 G HA3 -0.245 3.711 3.960 -0.006 0.000 0.193 172 G C 0.324 175.277 174.900 0.087 0.000 0.999 172 G CA 0.170 45.351 45.100 0.136 0.000 0.659 172 G HN 0.506 nan 8.290 nan 0.000 0.503 173 S N -0.115 115.630 115.700 0.076 0.000 2.593 173 S HA 0.595 5.061 4.470 -0.006 0.000 0.269 173 S C 0.913 175.230 174.600 -0.471 0.000 1.334 173 S CA 0.348 58.480 58.200 -0.113 0.000 1.015 173 S CB 0.755 63.909 63.200 -0.077 0.000 0.912 173 S HN 0.195 nan 8.310 nan 0.000 0.541 174 K N 1.315 121.173 120.400 -0.904 0.000 2.619 174 K HA 0.463 4.780 4.320 -0.006 0.000 0.201 174 K C -0.576 174.987 176.600 -1.728 0.000 1.090 174 K CA -0.023 55.358 56.287 -1.510 0.000 1.063 174 K CB 0.753 32.868 32.500 -0.641 0.000 0.810 174 K HN 0.602 nan 8.250 nan 0.000 0.506 175 A N 0.706 122.538 122.820 -1.647 0.000 2.608 175 A HA 0.668 4.985 4.320 -0.006 0.000 0.292 175 A C -2.142 175.186 177.584 -0.426 0.000 1.066 175 A CA -0.728 50.775 52.037 -0.890 0.000 0.676 175 A CB 1.291 19.896 19.000 -0.659 0.000 1.277 175 A HN 0.088 nan 8.150 nan 0.000 0.413 176 L N 0.722 121.855 121.223 -0.150 0.000 2.376 176 L HA 0.771 5.107 4.340 -0.006 0.000 0.275 176 L C -0.562 176.323 176.870 0.025 0.000 0.987 176 L CA 0.265 55.132 54.840 0.045 0.000 0.828 176 L CB 2.054 44.204 42.059 0.151 0.000 1.249 176 L HN 0.650 nan 8.230 nan 0.000 0.409 177 T N 4.553 119.182 114.554 0.124 0.000 2.767 177 T HA 0.599 4.946 4.350 -0.006 0.000 0.284 177 T C -0.632 174.167 174.700 0.164 0.000 0.973 177 T CA -0.305 61.924 62.100 0.216 0.000 0.996 177 T CB 1.249 70.283 68.868 0.277 0.000 0.927 177 T HN 0.368 nan 8.240 nan 0.000 0.456 178 V N 4.463 124.492 119.914 0.191 0.000 2.350 178 V HA 0.468 4.585 4.120 -0.006 0.000 0.285 178 V C -0.924 175.329 176.094 0.265 0.000 1.014 178 V CA -0.983 61.428 62.300 0.185 0.000 0.831 178 V CB 0.943 32.849 31.823 0.138 0.000 1.000 178 V HN 0.915 nan 8.190 nan 0.000 0.433 179 W N 8.308 129.682 121.300 0.124 0.000 2.683 179 W HA 0.820 5.477 4.660 -0.005 0.000 0.329 179 W C -0.836 175.772 176.519 0.148 0.000 1.037 179 W CA -0.878 56.532 57.345 0.110 0.000 1.232 179 W CB 1.356 30.864 29.460 0.080 0.000 1.390 179 W HN 0.604 nan 8.180 nan 0.000 0.465 180 I N 2.736 122.740 120.570 -0.942 0.000 3.002 180 I HA 0.815 4.982 4.170 -0.006 0.000 0.310 180 I C 0.756 176.082 176.117 -1.317 0.000 1.087 180 I CA -1.185 59.592 61.300 -0.871 0.000 1.017 180 I CB 2.130 39.934 38.000 -0.326 0.000 1.226 180 I HN 0.646 nan 8.210 nan 0.000 0.443 181 G N 1.060 109.340 108.800 -0.866 0.000 2.939 181 G HA2 0.053 4.010 3.960 -0.006 0.000 0.210 181 G HA3 0.053 4.010 3.960 -0.006 0.000 0.210 181 G C -0.008 174.705 174.900 -0.311 0.000 1.160 181 G CA -0.120 44.621 45.100 -0.597 0.000 0.770 181 G HN 0.729 nan 8.290 nan 0.000 0.543 182 D N 0.942 121.193 120.400 -0.248 0.000 2.752 182 D HA 0.388 5.025 4.640 -0.006 0.000 0.225 182 D C 0.927 177.164 176.300 -0.105 0.000 1.104 182 D CA 1.818 55.748 54.000 -0.117 0.000 0.832 182 D CB 0.722 41.486 40.800 -0.060 0.000 1.161 182 D HN 0.387 nan 8.370 nan 0.000 0.505 183 G N 0.072 108.847 108.800 -0.042 0.000 2.356 183 G HA2 0.532 4.489 3.960 -0.006 0.000 0.281 183 G HA3 0.532 4.489 3.960 -0.006 0.000 0.281 183 G C -1.375 173.560 174.900 0.058 0.000 1.246 183 G CA -0.176 44.916 45.100 -0.014 0.000 0.889 183 G HN 0.758 nan 8.290 nan 0.000 0.486 184 S N -1.263 114.499 115.700 0.103 0.000 2.588 184 S HA 0.651 5.118 4.470 -0.006 0.000 0.275 184 S C -0.392 174.313 174.600 0.174 0.000 1.130 184 S CA -0.747 57.565 58.200 0.187 0.000 0.855 184 S CB 2.239 65.617 63.200 0.297 0.000 1.116 184 S HN 0.408 nan 8.310 nan 0.000 0.472 185 N N -0.461 118.305 118.700 0.109 0.000 2.220 185 N HA 0.418 5.154 4.740 -0.006 0.000 0.195 185 N C -1.446 173.749 175.510 -0.524 0.000 1.123 185 N CA 0.196 53.148 53.050 -0.164 0.000 0.874 185 N CB 0.059 38.348 38.487 -0.330 0.000 0.995 185 N HN 0.589 nan 8.380 nan 0.000 0.498 186 F N -0.034 119.989 119.950 0.122 0.000 2.578 186 F HA 0.447 4.971 4.527 -0.005 0.000 0.311 186 F C -2.292 173.303 175.800 -0.342 0.000 1.094 186 F CA -2.472 55.456 58.000 -0.120 0.000 0.923 186 F CB 1.852 40.815 39.000 -0.062 0.000 1.230 186 F HN -0.300 nan 8.300 nan 0.000 0.450 187 P HA 0.214 nan 4.420 nan 0.000 0.265 187 P C 0.709 177.909 177.300 -0.165 0.000 1.193 187 P CA 1.278 64.030 63.100 -0.580 0.000 0.765 187 P CB 0.709 32.111 31.700 -0.497 0.000 0.823 188 G N 2.379 111.104 108.800 -0.124 0.000 2.320 188 G HA2 -0.365 3.591 3.960 -0.006 0.000 0.242 188 G HA3 -0.365 3.591 3.960 -0.006 0.000 0.242 188 G C 1.287 176.145 174.900 -0.070 0.000 1.033 188 G CA 0.512 45.544 45.100 -0.113 0.000 0.620 188 G HN 0.567 nan 8.290 nan 0.000 0.517 189 Q N 0.654 120.458 119.800 0.008 0.000 2.112 189 Q HA 0.051 4.388 4.340 -0.006 0.000 0.206 189 Q C 0.931 176.935 176.000 0.007 0.000 0.987 189 Q CA 1.842 57.670 55.803 0.042 0.000 0.858 189 Q CB -0.103 28.740 28.738 0.174 0.000 0.905 189 Q HN 0.562 nan 8.270 nan 0.000 0.420 190 S N 0.770 116.478 115.700 0.014 0.000 2.532 190 S HA 0.285 4.752 4.470 -0.006 0.000 0.301 190 S C -0.822 173.698 174.600 -0.134 0.000 1.083 190 S CA -0.912 57.285 58.200 -0.005 0.000 1.025 190 S CB 1.542 64.806 63.200 0.107 0.000 1.056 190 S HN 0.331 nan 8.310 nan 0.000 0.494 191 N N 1.970 120.621 118.700 -0.083 0.000 2.437 191 N HA 0.142 4.879 4.740 -0.006 0.000 0.243 191 N C 0.347 175.870 175.510 0.022 0.000 1.041 191 N CA -0.332 52.649 53.050 -0.115 0.000 0.940 191 N CB 0.053 38.513 38.487 -0.045 0.000 1.133 191 N HN 0.383 nan 8.380 nan 0.000 0.506 192 F N 2.158 122.134 119.950 0.043 0.000 2.063 192 F HA -0.202 4.322 4.527 -0.005 0.000 0.298 192 F C 2.431 178.267 175.800 0.060 0.000 1.109 192 F CA 1.304 59.320 58.000 0.026 0.000 1.212 192 F CB -1.229 37.770 39.000 -0.002 0.000 0.973 192 F HN 0.422 nan 8.300 nan 0.000 0.480 193 T N -0.230 114.485 114.554 0.268 0.000 2.737 193 T HA -0.129 4.217 4.350 -0.006 0.000 0.265 193 T C 2.128 176.934 174.700 0.176 0.000 1.038 193 T CA 1.248 63.478 62.100 0.216 0.000 1.144 193 T CB -0.219 68.738 68.868 0.148 0.000 0.866 193 T HN 0.165 nan 8.240 nan 0.000 0.434 194 R N 0.825 121.395 120.500 0.117 0.000 2.096 194 R HA 0.061 4.397 4.340 -0.006 0.000 0.235 194 R C 2.782 179.147 176.300 0.108 0.000 1.127 194 R CA 1.140 57.289 56.100 0.082 0.000 0.968 194 R CB -0.407 29.919 30.300 0.043 0.000 0.861 194 R HN 0.353 nan 8.270 nan 0.000 0.440 195 A N 0.754 123.659 122.820 0.141 0.000 1.902 195 A HA -0.190 4.126 4.320 -0.006 0.000 0.217 195 A C 1.885 179.612 177.584 0.238 0.000 1.181 195 A CA 1.050 53.182 52.037 0.157 0.000 0.623 195 A CB -0.551 18.541 19.000 0.153 0.000 0.818 195 A HN 0.325 nan 8.150 nan 0.000 0.443 196 F N 1.128 121.115 119.950 0.061 0.000 2.186 196 F HA -0.061 4.462 4.527 -0.005 0.000 0.299 196 F C 2.095 177.958 175.800 0.105 0.000 1.090 196 F CA 1.635 59.666 58.000 0.051 0.000 1.307 196 F CB -0.555 38.445 39.000 0.000 0.000 1.019 196 F HN 0.398 nan 8.300 nan 0.000 0.489 197 E N -0.148 120.069 120.200 0.027 0.000 2.077 197 E HA -0.218 4.129 4.350 -0.006 0.000 0.193 197 E C 2.337 178.914 176.600 -0.040 0.000 0.989 197 E CA 1.204 57.548 56.400 -0.094 0.000 0.800 197 E CB -0.194 29.485 29.700 -0.034 0.000 0.746 197 E HN 0.414 nan 8.360 nan 0.000 0.452 198 R N -0.023 120.503 120.500 0.043 0.000 2.081 198 R HA -0.180 4.157 4.340 -0.006 0.000 0.235 198 R C 2.372 178.711 176.300 0.064 0.000 1.131 198 R CA 1.518 57.647 56.100 0.049 0.000 0.960 198 R CB -0.501 29.847 30.300 0.079 0.000 0.856 198 R HN 0.284 nan 8.270 nan 0.000 0.436 199 Y N 1.701 121.999 120.300 -0.003 0.000 2.165 199 Y HA -0.200 4.347 4.550 -0.006 0.000 0.286 199 Y C 1.957 177.819 175.900 -0.063 0.000 1.155 199 Y CA 1.499 59.604 58.100 0.008 0.000 1.164 199 Y CB -0.270 38.259 38.460 0.115 0.000 0.978 199 Y HN -0.049 nan 8.280 nan 0.000 0.513 200 L N -0.809 120.398 121.223 -0.027 0.000 2.131 200 L HA -0.211 4.125 4.340 -0.006 0.000 0.210 200 L C 2.824 179.582 176.870 -0.187 0.000 1.092 200 L CA 1.537 56.268 54.840 -0.182 0.000 0.759 200 L CB -0.752 41.115 42.059 -0.320 0.000 0.903 200 L HN 0.263 nan 8.230 nan 0.000 0.435 201 S N -0.300 115.316 115.700 -0.140 0.000 2.368 201 S HA -0.128 4.339 4.470 -0.006 0.000 0.224 201 S C 2.140 176.667 174.600 -0.121 0.000 1.029 201 S CA 1.140 59.272 58.200 -0.113 0.000 0.988 201 S CB -0.031 63.124 63.200 -0.075 0.000 0.838 201 S HN 0.421 nan 8.310 nan 0.000 0.462 202 A N 1.818 124.552 122.820 -0.143 0.000 1.898 202 A HA 0.039 4.355 4.320 -0.006 0.000 0.216 202 A C 2.269 179.738 177.584 -0.191 0.000 1.181 202 A CA 1.495 53.443 52.037 -0.148 0.000 0.620 202 A CB -0.571 18.341 19.000 -0.147 0.000 0.819 202 A HN 0.542 nan 8.150 nan 0.000 0.442 203 M N -0.406 119.008 119.600 -0.309 0.000 2.229 203 M HA -0.076 4.401 4.480 -0.006 0.000 0.264 203 M C 2.450 178.685 176.300 -0.108 0.000 1.063 203 M CA 1.384 56.524 55.300 -0.267 0.000 1.114 203 M CB -1.339 31.009 32.600 -0.420 0.000 1.387 203 M HN 0.503 nan 8.290 nan 0.000 0.420 204 A N 0.100 122.847 122.820 -0.121 0.000 1.933 204 A HA -0.163 4.154 4.320 -0.006 0.000 0.218 204 A C 2.074 179.649 177.584 -0.015 0.000 1.175 204 A CA 1.514 53.501 52.037 -0.083 0.000 0.628 204 A CB -0.569 18.358 19.000 -0.122 0.000 0.814 204 A HN 0.550 nan 8.150 nan 0.000 0.444 205 E N -0.358 119.816 120.200 -0.043 0.000 2.072 205 E HA -0.119 4.228 4.350 -0.006 0.000 0.191 205 E C 1.881 178.469 176.600 -0.019 0.000 0.985 205 E CA 1.110 57.492 56.400 -0.030 0.000 0.801 205 E CB -0.261 29.410 29.700 -0.048 0.000 0.750 205 E HN 0.702 nan 8.360 nan 0.000 0.452 206 I N 0.383 120.935 120.570 -0.030 0.000 2.286 206 I HA -0.280 3.887 4.170 -0.006 0.000 0.248 206 I C 2.381 178.490 176.117 -0.012 0.000 1.115 206 I CA 0.990 62.265 61.300 -0.041 0.000 1.392 206 I CB -0.269 37.697 38.000 -0.056 0.000 1.065 206 I HN 0.130 nan 8.210 nan 0.000 0.418 207 Y N 2.183 122.430 120.300 -0.089 0.000 2.207 207 Y HA -0.264 4.283 4.550 -0.006 0.000 0.287 207 Y C 2.367 178.223 175.900 -0.073 0.000 1.156 207 Y CA 1.654 59.711 58.100 -0.071 0.000 1.182 207 Y CB -0.181 38.242 38.460 -0.063 0.000 0.979 207 Y HN 0.017 nan 8.280 nan 0.000 0.521 208 K N -0.951 119.529 120.400 0.133 0.000 2.280 208 K HA -0.082 4.234 4.320 -0.006 0.000 0.202 208 K C 1.890 178.453 176.600 -0.061 0.000 1.047 208 K CA 0.958 57.276 56.287 0.052 0.000 0.942 208 K CB -0.387 32.129 32.500 0.027 0.000 0.739 208 K HN 0.422 nan 8.250 nan 0.000 0.457 209 G N 0.667 109.401 108.800 -0.111 0.000 3.141 209 G HA2 0.101 4.058 3.960 -0.006 0.000 0.218 209 G HA3 0.101 4.058 3.960 -0.006 0.000 0.218 209 G C 0.200 174.931 174.900 -0.281 0.000 1.170 209 G CA -0.317 44.676 45.100 -0.178 0.000 0.769 209 G HN 0.021 nan 8.290 nan 0.000 0.546 210 L N 1.470 122.518 121.223 -0.293 0.000 2.319 210 L HA 0.297 4.634 4.340 -0.006 0.000 0.280 210 L C -1.976 174.708 176.870 -0.309 0.000 1.099 210 L CA -1.805 52.824 54.840 -0.353 0.000 0.828 210 L CB 1.393 43.237 42.059 -0.359 0.000 1.150 210 L HN -0.086 nan 8.230 nan 0.000 0.442 211 P HA 0.025 nan 4.420 nan 0.000 0.271 211 P C 0.065 177.328 177.300 -0.062 0.000 1.244 211 P CA -0.366 62.591 63.100 -0.238 0.000 0.793 211 P CB 0.593 32.100 31.700 -0.322 0.000 0.984 212 D N 0.406 120.794 120.400 -0.019 0.000 2.149 212 D HA -0.159 4.478 4.640 -0.006 0.000 0.198 212 D C 0.783 177.117 176.300 0.057 0.000 0.990 212 D CA 1.517 55.525 54.000 0.013 0.000 0.839 212 D CB -0.395 40.414 40.800 0.016 0.000 0.948 212 D HN 0.541 nan 8.370 nan 0.000 0.460 213 D N -1.441 119.032 120.400 0.121 0.000 2.427 213 D HA -0.019 4.617 4.640 -0.006 0.000 0.224 213 D C -0.090 176.303 176.300 0.156 0.000 1.157 213 D CA -0.473 53.600 54.000 0.122 0.000 0.828 213 D CB -0.643 40.217 40.800 0.100 0.000 0.974 213 D HN 0.077 nan 8.370 nan 0.000 0.498 214 W N 0.942 122.171 121.300 -0.118 0.000 2.509 214 W HA 0.494 5.151 4.660 -0.005 0.000 0.351 214 W C 0.459 176.844 176.519 -0.224 0.000 1.107 214 W CA -0.660 56.585 57.345 -0.167 0.000 1.264 214 W CB 1.313 30.660 29.460 -0.187 0.000 1.312 214 W HN -0.415 nan 8.180 nan 0.000 0.608 215 K N 1.933 122.227 120.400 -0.176 0.000 2.328 215 K HA 0.595 4.911 4.320 -0.006 0.000 0.246 215 K C -1.722 174.586 176.600 -0.487 0.000 0.955 215 K CA -1.288 54.782 56.287 -0.361 0.000 0.817 215 K CB 2.178 34.334 32.500 -0.572 0.000 1.208 215 K HN 0.381 nan 8.250 nan 0.000 0.432 216 L N 2.636 123.633 121.223 -0.377 0.000 2.343 216 L HA 0.494 4.831 4.340 -0.006 0.000 0.278 216 L C -1.625 175.180 176.870 -0.108 0.000 0.996 216 L CA -0.326 54.380 54.840 -0.223 0.000 0.831 216 L CB 0.465 42.498 42.059 -0.044 0.000 1.232 216 L HN 0.308 nan 8.230 nan 0.000 0.413 217 F N 2.854 122.842 119.950 0.062 0.000 2.427 217 F HA 0.600 5.124 4.527 -0.005 0.000 0.346 217 F C 0.562 176.409 175.800 0.079 0.000 1.120 217 F CA -0.901 57.128 58.000 0.049 0.000 1.033 217 F CB 1.659 40.656 39.000 -0.004 0.000 1.126 217 F HN 0.531 nan 8.300 nan 0.000 0.462 218 S N 1.519 117.403 115.700 0.305 0.000 2.489 218 S HA 0.516 4.983 4.470 -0.006 0.000 0.291 218 S C -0.632 174.094 174.600 0.210 0.000 1.151 218 S CA -0.895 57.467 58.200 0.270 0.000 1.082 218 S CB 1.926 65.314 63.200 0.313 0.000 1.019 218 S HN 0.688 nan 8.310 nan 0.000 0.492 219 E N 2.905 123.229 120.200 0.207 0.000 2.129 219 E HA 0.188 4.535 4.350 -0.006 0.000 0.268 219 E C -0.183 176.548 176.600 0.219 0.000 0.900 219 E CA -0.753 55.720 56.400 0.122 0.000 0.755 219 E CB 0.539 30.304 29.700 0.108 0.000 1.117 219 E HN 0.913 nan 8.360 nan 0.000 0.410 220 H N 3.223 122.394 119.070 0.168 0.000 2.547 220 H HA 0.494 5.046 4.556 -0.006 0.000 0.362 220 H C -0.794 174.639 175.328 0.175 0.000 1.181 220 H CA -0.644 55.478 56.048 0.125 0.000 1.376 220 H CB 1.342 31.140 29.762 0.060 0.000 1.488 220 H HN 0.363 nan 8.280 nan 0.000 0.583 221 K N 2.623 123.124 120.400 0.168 0.000 2.571 221 K HA 0.093 4.410 4.320 -0.006 0.000 0.252 221 K C 0.647 177.219 176.600 -0.046 0.000 0.956 221 K CA -0.591 55.659 56.287 -0.061 0.000 0.822 221 K CB 2.586 34.963 32.500 -0.205 0.000 1.286 221 K HN 0.711 nan 8.250 nan 0.000 0.439 222 M N 3.283 122.856 119.600 -0.045 0.000 2.108 222 M HA -0.118 4.359 4.480 -0.006 0.000 0.261 222 M C -0.395 175.986 176.300 0.136 0.000 1.066 222 M CA 1.743 57.083 55.300 0.068 0.000 1.107 222 M CB 0.115 32.837 32.600 0.204 0.000 1.356 222 M HN 0.619 nan 8.290 nan 0.000 0.406 223 Y N -2.619 117.648 120.300 -0.055 0.000 2.750 223 Y HA 0.502 5.049 4.550 -0.006 0.000 0.335 223 Y C -1.125 174.743 175.900 -0.053 0.000 1.252 223 Y CA -1.702 56.370 58.100 -0.047 0.000 1.064 223 Y CB 0.326 38.820 38.460 0.057 0.000 1.321 223 Y HN 0.302 nan 8.280 nan 0.000 0.451 224 E N 1.681 121.829 120.200 -0.087 0.000 7.504 224 E HA -0.111 4.236 4.350 -0.006 0.000 0.337 224 E C -2.384 174.141 176.600 -0.126 0.000 0.701 224 E CA 0.468 56.752 56.400 -0.193 0.000 1.302 224 E CB 0.182 29.844 29.700 -0.064 0.000 0.927 224 E HN 0.664 nan 8.360 nan 0.000 0.263 225 P HA -0.027 nan 4.420 nan 0.000 0.229 225 P C 0.253 177.026 177.300 -0.878 0.000 1.160 225 P CA 1.143 63.983 63.100 -0.433 0.000 0.777 225 P CB 0.206 31.801 31.700 -0.175 0.000 0.814 226 A N -0.210 122.269 122.820 -0.569 0.000 2.366 226 A HA 0.399 4.715 4.320 -0.006 0.000 0.272 226 A C -0.039 177.259 177.584 -0.477 0.000 1.135 226 A CA -0.355 51.406 52.037 -0.459 0.000 0.804 226 A CB -0.309 18.577 19.000 -0.190 0.000 1.064 226 A HN -0.040 nan 8.150 nan 0.000 0.499 227 F N 1.133 121.111 119.950 0.047 0.000 2.653 227 F HA 0.200 4.724 4.527 -0.006 0.000 0.304 227 F C 0.914 176.736 175.800 0.036 0.000 1.092 227 F CA 0.045 58.065 58.000 0.033 0.000 1.279 227 F CB -0.175 38.817 39.000 -0.013 0.000 1.044 227 F HN 0.804 nan 8.300 nan 0.000 0.564 228 Y N -0.100 120.231 120.300 0.052 0.000 2.921 228 Y HA 0.358 4.905 4.550 -0.006 0.000 0.246 228 Y C 0.581 176.512 175.900 0.052 0.000 1.030 228 Y CA 0.311 58.435 58.100 0.041 0.000 1.338 228 Y CB 0.196 38.672 38.460 0.027 0.000 1.493 228 Y HN -0.148 nan 8.280 nan 0.000 0.452 229 S N -0.131 115.428 115.700 -0.236 0.000 2.569 229 S HA 0.753 5.220 4.470 -0.006 0.000 0.280 229 S C -1.045 173.473 174.600 -0.137 0.000 1.111 229 S CA -0.402 57.614 58.200 -0.308 0.000 0.887 229 S CB 2.178 65.240 63.200 -0.229 0.000 1.095 229 S HN 0.118 nan 8.310 nan 0.000 0.476 230 T N 2.220 116.662 114.554 -0.186 0.000 2.881 230 T HA 0.413 4.760 4.350 -0.006 0.000 0.290 230 T C 1.197 175.769 174.700 -0.214 0.000 1.000 230 T CA -0.616 61.389 62.100 -0.159 0.000 0.978 230 T CB 1.618 70.407 68.868 -0.132 0.000 0.997 230 T HN 0.518 nan 8.240 nan 0.000 0.443 231 V N 2.912 122.708 119.914 -0.198 0.000 2.233 231 V HA -0.080 4.037 4.120 -0.006 0.000 0.247 231 V C 1.282 177.126 176.094 -0.418 0.000 1.050 231 V CA 1.472 63.612 62.300 -0.266 0.000 1.010 231 V CB -0.213 31.490 31.823 -0.201 0.000 0.637 231 V HN 0.715 nan 8.190 nan 0.000 0.444 232 V N 3.133 122.826 119.914 -0.369 0.000 2.174 232 V HA 0.126 4.243 4.120 -0.006 0.000 0.259 232 V C 1.283 177.286 176.094 -0.152 0.000 1.261 232 V CA 0.003 62.116 62.300 -0.312 0.000 1.137 232 V CB 0.541 32.219 31.823 -0.241 0.000 1.290 232 V HN 0.632 nan 8.190 nan 0.000 0.486 233 Q N 2.119 121.794 119.800 -0.208 0.000 2.212 233 Q HA -0.004 4.332 4.340 -0.006 0.000 0.199 233 Q C 0.174 176.144 176.000 -0.049 0.000 0.950 233 Q CA 1.468 57.193 55.803 -0.130 0.000 0.863 233 Q CB 0.486 29.100 28.738 -0.207 0.000 0.944 233 Q HN 0.778 nan 8.270 nan 0.000 0.465 234 D N -2.002 118.322 120.400 -0.126 0.000 2.759 234 D HA 0.028 4.665 4.640 -0.006 0.000 0.321 234 D C 0.803 176.823 176.300 -0.467 0.000 1.267 234 D CA -0.480 53.403 54.000 -0.196 0.000 0.933 234 D CB -0.924 39.798 40.800 -0.129 0.000 1.431 234 D HN 0.131 nan 8.370 nan 0.000 0.504 235 W N 0.586 121.425 121.300 -0.768 0.000 2.465 235 W HA 0.131 4.788 4.660 -0.005 0.000 0.268 235 W C 0.981 177.375 176.519 -0.208 0.000 1.242 235 W CA 1.029 58.024 57.345 -0.583 0.000 1.248 235 W CB -1.167 28.068 29.460 -0.375 0.000 1.118 235 W HN 0.441 nan 8.180 nan 0.000 0.587 236 G N 1.617 109.820 108.800 -0.995 0.000 2.414 236 G HA2 -0.241 3.716 3.960 -0.006 0.000 0.215 236 G HA3 -0.241 3.716 3.960 -0.006 0.000 0.215 236 G C 1.498 176.149 174.900 -0.414 0.000 1.188 236 G CA 2.001 46.545 45.100 -0.926 0.000 0.783 236 G HN 0.277 nan 8.290 nan 0.000 0.537 237 T N 1.016 115.345 114.554 -0.375 0.000 2.788 237 T HA -0.131 4.216 4.350 -0.006 0.000 0.268 237 T C 2.339 176.968 174.700 -0.119 0.000 1.044 237 T CA 1.249 63.149 62.100 -0.333 0.000 1.139 237 T CB -0.258 68.287 68.868 -0.537 0.000 0.867 237 T HN 0.217 nan 8.240 nan 0.000 0.454 238 N N 0.498 119.156 118.700 -0.069 0.000 2.120 238 N HA -0.109 4.627 4.740 -0.006 0.000 0.188 238 N C 1.579 177.171 175.510 0.137 0.000 1.024 238 N CA 1.152 54.263 53.050 0.102 0.000 0.852 238 N CB -0.474 38.141 38.487 0.212 0.000 1.003 238 N HN 0.479 nan 8.380 nan 0.000 0.424 239 Y N 1.240 121.547 120.300 0.011 0.000 2.181 239 Y HA -0.080 4.467 4.550 -0.006 0.000 0.288 239 Y C 2.152 178.071 175.900 0.030 0.000 1.146 239 Y CA 1.414 59.534 58.100 0.033 0.000 1.164 239 Y CB -0.462 37.959 38.460 -0.065 0.000 0.982 239 Y HN 0.051 nan 8.280 nan 0.000 0.515 240 L N -0.477 120.721 121.223 -0.042 0.000 2.079 240 L HA -0.257 4.080 4.340 -0.006 0.000 0.210 240 L C 2.396 179.266 176.870 -0.000 0.000 1.081 240 L CA 1.507 56.330 54.840 -0.029 0.000 0.752 240 L CB -0.587 41.566 42.059 0.156 0.000 0.896 240 L HN 0.291 nan 8.230 nan 0.000 0.433 241 I N -0.211 120.437 120.570 0.130 0.000 2.113 241 I HA -0.284 3.883 4.170 -0.006 0.000 0.238 241 I C 2.843 178.979 176.117 0.032 0.000 1.070 241 I CA 1.274 62.674 61.300 0.166 0.000 1.332 241 I CB -0.513 37.682 38.000 0.324 0.000 1.044 241 I HN 0.183 nan 8.210 nan 0.000 0.402 242 A N 0.042 122.866 122.820 0.005 0.000 1.883 242 A HA -0.316 4.001 4.320 -0.006 0.000 0.217 242 A C 2.238 179.752 177.584 -0.116 0.000 1.186 242 A CA 2.163 54.194 52.037 -0.010 0.000 0.624 242 A CB -0.717 18.301 19.000 0.030 0.000 0.822 242 A HN 0.431 nan 8.150 nan 0.000 0.444 243 Q N -0.566 119.046 119.800 -0.314 0.000 2.119 243 Q HA -0.096 4.241 4.340 -0.006 0.000 0.201 243 Q C 2.048 177.942 176.000 -0.176 0.000 0.972 243 Q CA 2.409 58.031 55.803 -0.302 0.000 0.847 243 Q CB -0.806 27.609 28.738 -0.539 0.000 0.903 243 Q HN 0.596 nan 8.270 nan 0.000 0.433 244 T N 0.528 114.983 114.554 -0.164 0.000 2.777 244 T HA -0.038 4.308 4.350 -0.006 0.000 0.266 244 T C 1.655 176.239 174.700 -0.193 0.000 1.040 244 T CA 1.195 63.205 62.100 -0.149 0.000 1.141 244 T CB -0.153 68.631 68.868 -0.141 0.000 0.868 244 T HN 0.213 nan 8.240 nan 0.000 0.444 245 L N 0.059 121.162 121.223 -0.200 0.000 2.072 245 L HA 0.237 4.573 4.340 -0.006 0.000 0.205 245 L C 1.510 178.000 176.870 -0.633 0.000 1.079 245 L CA 0.764 55.379 54.840 -0.375 0.000 0.752 245 L CB -0.613 41.335 42.059 -0.185 0.000 0.906 245 L HN 0.506 nan 8.230 nan 0.000 0.436 246 G N -1.989 106.651 108.800 -0.268 0.000 2.361 246 G HA2 -0.044 3.913 3.960 -0.006 0.000 0.331 246 G HA3 -0.044 3.913 3.960 -0.006 0.000 0.331 246 G C -2.501 172.483 174.900 0.141 0.000 1.324 246 G CA -0.221 44.804 45.100 -0.125 0.000 0.984 246 G HN -0.203 nan 8.290 nan 0.000 0.586 247 P HA -0.091 nan 4.420 nan 0.000 0.219 247 P C 1.172 178.591 177.300 0.199 0.000 1.146 247 P CA 1.332 64.536 63.100 0.174 0.000 0.808 247 P CB 0.082 31.867 31.700 0.140 0.000 0.779 248 K N -0.523 120.036 120.400 0.265 0.000 2.418 248 K HA 0.200 4.517 4.320 -0.006 0.000 0.195 248 K C 1.036 177.714 176.600 0.131 0.000 1.035 248 K CA 0.057 56.404 56.287 0.100 0.000 1.003 248 K CB 0.085 32.473 32.500 -0.188 0.000 0.793 248 K HN 0.084 nan 8.250 nan 0.000 0.494 249 A N 1.763 124.762 122.820 0.299 0.000 2.274 249 A HA 0.327 4.644 4.320 -0.006 0.000 0.309 249 A C -0.512 177.208 177.584 0.227 0.000 1.226 249 A CA -0.439 51.751 52.037 0.255 0.000 0.853 249 A CB 0.571 19.750 19.000 0.298 0.000 1.146 249 A HN 0.101 nan 8.150 nan 0.000 0.518 250 Q N 0.361 120.336 119.800 0.292 0.000 2.605 250 Q HA 0.502 4.838 4.340 -0.006 0.000 0.296 250 Q C -1.360 174.818 176.000 0.296 0.000 1.056 250 Q CA -0.834 55.151 55.803 0.304 0.000 0.778 250 Q CB 2.196 31.149 28.738 0.358 0.000 1.497 250 Q HN 0.770 nan 8.270 nan 0.000 0.443 251 C N 1.297 120.707 119.300 0.183 0.000 2.358 251 C HA 0.649 5.105 4.460 -0.006 0.000 0.342 251 C C -0.278 174.664 174.990 -0.080 0.000 1.234 251 C CA -0.690 58.408 59.018 0.133 0.000 1.969 251 C CB -0.097 27.770 27.740 0.210 0.000 2.346 251 C HN 0.649 nan 8.230 nan 0.000 0.525 252 L N 3.214 124.363 121.223 -0.125 0.000 2.296 252 L HA 0.691 5.027 4.340 -0.006 0.000 0.286 252 L C -0.758 175.898 176.870 -0.357 0.000 1.023 252 L CA -0.100 54.511 54.840 -0.381 0.000 0.812 252 L CB 1.067 42.869 42.059 -0.429 0.000 1.223 252 L HN 0.558 nan 8.230 nan 0.000 0.421 253 V N 4.317 123.966 119.914 -0.442 0.000 2.350 253 V HA 0.296 4.413 4.120 -0.006 0.000 0.276 253 V C -0.379 175.550 176.094 -0.274 0.000 1.028 253 V CA -0.570 61.557 62.300 -0.288 0.000 0.860 253 V CB 1.236 32.943 31.823 -0.194 0.000 0.990 253 V HN 0.664 nan 8.190 nan 0.000 0.453 254 D N 4.338 124.517 120.400 -0.368 0.000 2.329 254 D HA 0.299 4.936 4.640 -0.006 0.000 0.232 254 D C 1.114 177.328 176.300 -0.144 0.000 1.088 254 D CA -0.375 53.389 54.000 -0.394 0.000 0.835 254 D CB 1.785 41.963 40.800 -1.036 0.000 1.078 254 D HN 0.381 nan 8.370 nan 0.000 0.495 255 L N 2.952 124.186 121.223 0.019 0.000 2.089 255 L HA -0.145 4.191 4.340 -0.006 0.000 0.213 255 L C 2.104 179.118 176.870 0.240 0.000 1.079 255 L CA 1.619 56.557 54.840 0.164 0.000 0.758 255 L CB -0.323 41.816 42.059 0.134 0.000 0.891 255 L HN 0.485 nan 8.230 nan 0.000 0.433 256 G N -2.509 106.368 108.800 0.127 0.000 3.181 256 G HA2 -0.048 3.908 3.960 -0.006 0.000 0.219 256 G HA3 -0.048 3.908 3.960 -0.006 0.000 0.219 256 G C 0.805 175.843 174.900 0.231 0.000 1.182 256 G CA -0.254 44.958 45.100 0.186 0.000 0.791 256 G HN 0.529 nan 8.290 nan 0.000 0.537 257 H N -0.069 118.929 119.070 -0.120 0.000 2.537 257 H HA 0.181 4.734 4.556 -0.006 0.000 0.295 257 H C -0.023 175.061 175.328 -0.406 0.000 1.054 257 H CA -0.429 55.428 56.048 -0.318 0.000 1.156 257 H CB 0.361 29.863 29.762 -0.434 0.000 1.468 257 H HN 0.359 nan 8.280 nan 0.000 0.551 258 H N -0.190 119.005 119.070 0.208 0.000 2.670 258 H HA 0.438 4.990 4.556 -0.006 0.000 0.361 258 H C 0.050 175.486 175.328 0.181 0.000 1.169 258 H CA -0.856 55.311 56.048 0.199 0.000 1.198 258 H CB 1.601 31.468 29.762 0.174 0.000 1.700 258 H HN 0.219 nan 8.280 nan 0.000 0.542 259 A N 2.157 125.148 122.820 0.286 0.000 2.448 259 A HA 0.216 4.533 4.320 -0.006 0.000 0.239 259 A C -2.142 175.552 177.584 0.183 0.000 1.080 259 A CA -0.986 51.179 52.037 0.214 0.000 0.779 259 A CB -0.692 18.401 19.000 0.154 0.000 1.026 259 A HN 0.405 nan 8.150 nan 0.000 0.499 260 P HA 0.067 nan 4.420 nan 0.000 0.264 260 P C -0.015 177.339 177.300 0.090 0.000 1.183 260 P CA 0.606 63.776 63.100 0.117 0.000 0.763 260 P CB 0.217 31.977 31.700 0.100 0.000 0.807 261 N N -1.219 117.524 118.700 0.073 0.000 2.909 261 N HA -0.138 4.599 4.740 -0.006 0.000 0.242 261 N C -0.399 175.137 175.510 0.042 0.000 0.975 261 N CA 1.177 54.256 53.050 0.049 0.000 0.921 261 N CB -2.364 36.148 38.487 0.042 0.000 1.112 261 N HN 0.384 nan 8.380 nan 0.000 0.581 262 T N 1.674 116.264 114.554 0.061 0.000 2.946 262 T HA -0.039 4.307 4.350 -0.006 0.000 0.311 262 T C 0.794 175.478 174.700 -0.026 0.000 1.063 262 T CA -0.032 62.092 62.100 0.039 0.000 1.139 262 T CB 0.527 69.446 68.868 0.085 0.000 0.994 262 T HN 0.153 nan 8.240 nan 0.000 0.547 263 N N 3.115 121.785 118.700 -0.050 0.000 2.482 263 N HA 0.122 4.859 4.740 -0.006 0.000 0.242 263 N C 0.989 176.397 175.510 -0.170 0.000 1.100 263 N CA -0.173 52.823 53.050 -0.090 0.000 0.946 263 N CB 0.041 38.483 38.487 -0.075 0.000 1.227 263 N HN 0.554 nan 8.380 nan 0.000 0.508 264 I N 1.948 122.394 120.570 -0.206 0.000 2.353 264 I HA -0.222 3.945 4.170 -0.006 0.000 0.248 264 I C 2.217 178.192 176.117 -0.237 0.000 1.119 264 I CA 0.730 61.839 61.300 -0.317 0.000 1.417 264 I CB -0.007 37.801 38.000 -0.319 0.000 1.078 264 I HN 0.535 nan 8.210 nan 0.000 0.421 265 E N 1.511 121.607 120.200 -0.173 0.000 2.204 265 E HA -0.300 4.047 4.350 -0.006 0.000 0.195 265 E C 2.097 178.593 176.600 -0.173 0.000 0.990 265 E CA 1.376 57.685 56.400 -0.150 0.000 0.821 265 E CB -0.645 28.963 29.700 -0.154 0.000 0.750 265 E HN 0.576 nan 8.360 nan 0.000 0.477 266 M N 0.787 120.267 119.600 -0.199 0.000 2.200 266 M HA -0.045 4.431 4.480 -0.006 0.000 0.265 266 M C 2.241 178.324 176.300 -0.362 0.000 1.066 266 M CA 1.184 56.352 55.300 -0.221 0.000 1.127 266 M CB -0.038 32.455 32.600 -0.179 0.000 1.379 266 M HN 0.011 nan 8.290 nan 0.000 0.420 267 I N -0.315 119.962 120.570 -0.488 0.000 2.226 267 I HA -0.273 3.894 4.170 -0.006 0.000 0.245 267 I C 2.213 178.002 176.117 -0.547 0.000 1.100 267 I CA 1.014 61.810 61.300 -0.840 0.000 1.374 267 I CB -0.450 37.069 38.000 -0.802 0.000 1.057 267 I HN 0.153 nan 8.210 nan 0.000 0.413 268 V N 1.078 120.821 119.914 -0.286 0.000 2.287 268 V HA -0.330 3.787 4.120 -0.006 0.000 0.248 268 V C 2.738 178.748 176.094 -0.141 0.000 1.053 268 V CA 2.114 64.339 62.300 -0.125 0.000 1.027 268 V CB -1.046 30.822 31.823 0.074 0.000 0.646 268 V HN 0.513 nan 8.190 nan 0.000 0.447 269 A N -0.214 122.507 122.820 -0.164 0.000 1.908 269 A HA -0.210 4.106 4.320 -0.006 0.000 0.218 269 A C 2.362 179.860 177.584 -0.143 0.000 1.181 269 A CA 1.587 53.535 52.037 -0.148 0.000 0.627 269 A CB -0.469 18.450 19.000 -0.134 0.000 0.818 269 A HN 0.415 nan 8.150 nan 0.000 0.445 270 R N -0.426 119.948 120.500 -0.211 0.000 2.073 270 R HA -0.056 4.280 4.340 -0.006 0.000 0.234 270 R C 2.116 178.433 176.300 0.028 0.000 1.134 270 R CA 1.354 57.379 56.100 -0.124 0.000 0.952 270 R CB -1.020 29.026 30.300 -0.423 0.000 0.850 270 R HN 0.591 nan 8.270 nan 0.000 0.433 271 L N 0.317 121.493 121.223 -0.079 0.000 2.083 271 L HA -0.135 4.202 4.340 -0.006 0.000 0.209 271 L C 2.470 179.391 176.870 0.085 0.000 1.083 271 L CA 1.047 55.942 54.840 0.091 0.000 0.752 271 L CB -0.378 41.706 42.059 0.041 0.000 0.899 271 L HN 0.110 nan 8.230 nan 0.000 0.433 272 I N -0.597 119.943 120.570 -0.050 0.000 2.252 272 I HA -0.322 3.845 4.170 -0.006 0.000 0.245 272 I C 2.704 178.733 176.117 -0.147 0.000 1.102 272 I CA 1.253 62.442 61.300 -0.184 0.000 1.385 272 I CB -0.283 37.480 38.000 -0.396 0.000 1.064 272 I HN 0.374 nan 8.210 nan 0.000 0.414 273 Q N 0.778 120.516 119.800 -0.104 0.000 2.135 273 Q HA -0.201 4.135 4.340 -0.006 0.000 0.204 273 Q C 1.417 177.229 176.000 -0.314 0.000 0.981 273 Q CA 1.799 57.483 55.803 -0.198 0.000 0.856 273 Q CB 0.035 28.672 28.738 -0.169 0.000 0.902 273 Q HN 0.470 nan 8.270 nan 0.000 0.425 274 F N -0.828 119.122 119.950 0.001 0.000 2.639 274 F HA 0.314 4.838 4.527 -0.006 0.000 0.300 274 F C 1.189 177.076 175.800 0.144 0.000 1.109 274 F CA 0.337 58.389 58.000 0.086 0.000 1.335 274 F CB 0.839 39.901 39.000 0.103 0.000 1.014 274 F HN 0.178 nan 8.300 nan 0.000 0.537 275 G N 0.784 109.681 108.800 0.161 0.000 2.225 275 G HA2 -0.319 3.638 3.960 -0.006 0.000 0.267 275 G HA3 -0.319 3.638 3.960 -0.006 0.000 0.267 275 G C 0.959 175.988 174.900 0.215 0.000 1.024 275 G CA 0.201 45.392 45.100 0.153 0.000 0.784 275 G HN 0.234 nan 8.290 nan 0.000 0.507 276 K N -0.877 119.676 120.400 0.255 0.000 2.564 276 K HA 0.292 4.608 4.320 -0.006 0.000 0.205 276 K C 0.456 177.164 176.600 0.180 0.000 1.053 276 K CA -0.544 55.895 56.287 0.252 0.000 1.072 276 K CB 0.669 33.377 32.500 0.348 0.000 0.822 276 K HN 0.394 nan 8.250 nan 0.000 0.497 277 L N 1.101 122.405 121.223 0.135 0.000 2.302 277 L HA 0.300 4.637 4.340 -0.006 0.000 0.285 277 L C 1.143 177.992 176.870 -0.036 0.000 1.090 277 L CA 0.185 55.035 54.840 0.016 0.000 0.866 277 L CB 0.759 42.853 42.059 0.058 0.000 1.244 277 L HN 0.223 nan 8.230 nan 0.000 0.435 278 G N 2.953 111.646 108.800 -0.179 0.000 2.396 278 G HA2 0.400 4.357 3.960 -0.006 0.000 0.214 278 G HA3 0.400 4.357 3.960 -0.006 0.000 0.214 278 G C 0.543 174.950 174.900 -0.821 0.000 1.166 278 G CA 0.685 45.552 45.100 -0.389 0.000 0.793 278 G HN 0.939 nan 8.290 nan 0.000 0.533 279 G N -1.941 106.341 108.800 -0.864 0.000 2.428 279 G HA2 0.482 4.439 3.960 -0.006 0.000 0.304 279 G HA3 0.482 4.439 3.960 -0.006 0.000 0.304 279 G C -1.959 172.442 174.900 -0.831 0.000 1.303 279 G CA -1.000 43.638 45.100 -0.770 0.000 0.825 279 G HN 0.050 nan 8.290 nan 0.000 0.484 280 F N -0.399 119.300 119.950 -0.418 0.000 2.588 280 F HA 0.587 5.111 4.527 -0.005 0.000 0.314 280 F C 0.050 175.653 175.800 -0.328 0.000 1.069 280 F CA -0.581 57.117 58.000 -0.504 0.000 0.931 280 F CB 2.638 41.091 39.000 -0.912 0.000 1.260 280 F HN 0.362 nan 8.300 nan 0.000 0.465 281 H N 2.331 121.233 119.070 -0.279 0.000 2.762 281 H HA 0.341 4.893 4.556 -0.006 0.000 0.310 281 H C -1.182 174.026 175.328 -0.201 0.000 1.004 281 H CA -0.755 55.191 56.048 -0.170 0.000 1.267 281 H CB 1.018 30.681 29.762 -0.165 0.000 1.437 281 H HN 0.343 nan 8.280 nan 0.000 0.498 282 F N 3.240 123.299 119.950 0.183 0.000 2.384 282 F HA 0.178 4.702 4.527 -0.005 0.000 0.338 282 F C 0.534 176.381 175.800 0.079 0.000 1.103 282 F CA -0.230 57.843 58.000 0.122 0.000 1.157 282 F CB 0.986 40.062 39.000 0.128 0.000 1.167 282 F HN 0.710 nan 8.300 nan 0.000 0.529 283 N N -0.555 118.315 118.700 0.284 0.000 3.717 283 N HA 0.303 5.039 4.740 -0.006 0.000 0.239 283 N C -2.251 173.363 175.510 0.173 0.000 1.388 283 N CA -0.990 52.171 53.050 0.184 0.000 0.828 283 N CB 0.933 39.495 38.487 0.125 0.000 1.468 283 N HN 0.307 nan 8.380 nan 0.000 0.445 284 D N -1.503 118.983 120.400 0.142 0.000 2.493 284 D HA 0.822 5.458 4.640 -0.006 0.000 0.239 284 D C -1.212 175.158 176.300 0.116 0.000 1.049 284 D CA -0.070 54.006 54.000 0.127 0.000 1.008 284 D CB 2.071 42.941 40.800 0.115 0.000 1.398 284 D HN 0.811 nan 8.370 nan 0.000 0.513 285 S N -0.197 115.561 115.700 0.096 0.000 2.595 285 S HA 0.403 4.869 4.470 -0.006 0.000 0.270 285 S C -0.075 174.534 174.600 0.016 0.000 1.145 285 S CA -0.787 57.466 58.200 0.087 0.000 0.825 285 S CB 2.402 65.672 63.200 0.117 0.000 1.107 285 S HN 0.470 nan 8.310 nan 0.000 0.461 286 K N -0.911 119.452 120.400 -0.061 0.000 2.504 286 K HA 0.340 4.656 4.320 -0.006 0.000 0.203 286 K C 0.153 176.472 176.600 -0.467 0.000 1.350 286 K CA 0.010 56.100 56.287 -0.329 0.000 0.953 286 K CB 0.184 32.337 32.500 -0.578 0.000 1.243 286 K HN 0.673 nan 8.250 nan 0.000 0.534 287 Y N -0.742 119.624 120.300 0.111 0.000 2.697 287 Y HA 0.404 4.951 4.550 -0.006 0.000 0.268 287 Y C 1.413 177.412 175.900 0.164 0.000 1.092 287 Y CA 0.253 58.426 58.100 0.122 0.000 1.304 287 Y CB 0.408 38.934 38.460 0.110 0.000 1.446 287 Y HN 0.098 nan 8.280 nan 0.000 0.491 288 G N -0.971 108.030 108.800 0.335 0.000 3.253 288 G HA2 0.177 4.134 3.960 -0.006 0.000 0.175 288 G HA3 0.177 4.134 3.960 -0.006 0.000 0.175 288 G C -1.290 173.708 174.900 0.165 0.000 1.098 288 G CA -0.292 44.980 45.100 0.285 0.000 0.790 288 G HN -0.053 nan 8.290 nan 0.000 0.648 289 D N 0.676 121.114 120.400 0.062 0.000 2.713 289 D HA 0.220 4.857 4.640 -0.006 0.000 0.229 289 D C 0.545 176.909 176.300 0.106 0.000 1.136 289 D CA -0.344 53.693 54.000 0.063 0.000 1.010 289 D CB -0.048 40.714 40.800 -0.063 0.000 1.084 289 D HN 0.147 nan 8.370 nan 0.000 0.495 290 D N 0.916 121.404 120.400 0.148 0.000 2.263 290 D HA -0.142 4.495 4.640 -0.006 0.000 0.208 290 D C 0.332 176.728 176.300 0.160 0.000 0.971 290 D CA 0.507 54.605 54.000 0.163 0.000 0.867 290 D CB -0.015 40.898 40.800 0.190 0.000 0.929 290 D HN 0.412 nan 8.370 nan 0.000 0.492 291 D N -0.154 120.341 120.400 0.158 0.000 2.751 291 D HA -0.178 4.458 4.640 -0.006 0.000 0.233 291 D C 0.030 176.402 176.300 0.119 0.000 1.149 291 D CA 0.376 54.473 54.000 0.161 0.000 0.682 291 D CB -1.226 39.747 40.800 0.288 0.000 1.068 291 D HN 0.329 nan 8.370 nan 0.000 0.429 292 L N 0.044 121.342 121.223 0.125 0.000 2.468 292 L HA 0.208 4.545 4.340 -0.006 0.000 0.254 292 L C 0.946 177.894 176.870 0.130 0.000 1.171 292 L CA -0.646 54.270 54.840 0.126 0.000 0.809 292 L CB 0.393 42.530 42.059 0.130 0.000 1.155 292 L HN -0.191 nan 8.230 nan 0.000 0.473 293 D N 1.331 121.823 120.400 0.153 0.000 2.531 293 D HA 0.188 4.825 4.640 -0.006 0.000 0.239 293 D C 0.196 176.570 176.300 0.124 0.000 1.144 293 D CA 0.254 54.347 54.000 0.154 0.000 0.869 293 D CB 0.628 41.508 40.800 0.134 0.000 1.160 293 D HN 0.586 nan 8.370 nan 0.000 0.484 294 A N 2.355 125.250 122.820 0.125 0.000 2.584 294 A HA 0.403 4.720 4.320 -0.006 0.000 0.239 294 A C 1.699 179.340 177.584 0.095 0.000 1.043 294 A CA 0.495 52.606 52.037 0.123 0.000 0.756 294 A CB -0.383 18.684 19.000 0.113 0.000 0.963 294 A HN 1.013 nan 8.150 nan 0.000 0.511 295 G N 1.024 109.890 108.800 0.110 0.000 2.189 295 G HA2 -0.083 3.873 3.960 -0.006 0.000 0.267 295 G HA3 -0.083 3.873 3.960 -0.006 0.000 0.267 295 G C 1.111 176.066 174.900 0.091 0.000 0.975 295 G CA 1.192 46.355 45.100 0.105 0.000 0.644 295 G HN 2.091 nan 8.290 nan 0.000 0.537 296 A N -0.645 122.226 122.820 0.085 0.000 2.119 296 A HA 0.458 4.774 4.320 -0.006 0.000 0.217 296 A C 2.165 179.792 177.584 0.072 0.000 1.153 296 A CA 1.802 53.883 52.037 0.074 0.000 0.692 296 A CB -0.131 18.916 19.000 0.079 0.000 0.799 296 A HN 0.513 nan 8.150 nan 0.000 0.458 297 I N -1.531 119.084 120.570 0.075 0.000 3.443 297 I HA 0.150 4.317 4.170 -0.006 0.000 0.277 297 I C 0.291 176.446 176.117 0.063 0.000 1.169 297 I CA 0.734 62.069 61.300 0.059 0.000 1.419 297 I CB -0.707 37.319 38.000 0.044 0.000 1.331 297 I HN 0.215 nan 8.210 nan 0.000 0.458 298 E N 2.426 122.675 120.200 0.081 0.000 3.108 298 E HA 0.193 4.540 4.350 -0.006 0.000 0.228 298 E C -1.799 174.880 176.600 0.132 0.000 1.176 298 E CA -1.407 55.050 56.400 0.094 0.000 0.881 298 E CB 1.748 31.492 29.700 0.072 0.000 1.354 298 E HN 0.125 nan 8.360 nan 0.000 0.400 299 P HA -0.212 nan 4.420 nan 0.000 0.218 299 P C 1.214 178.688 177.300 0.291 0.000 1.149 299 P CA 0.987 64.232 63.100 0.241 0.000 0.817 299 P CB 0.242 32.106 31.700 0.273 0.000 0.785 300 Y N 1.872 122.154 120.300 -0.029 0.000 2.200 300 Y HA -0.112 4.436 4.550 -0.004 0.000 0.290 300 Y C 2.889 178.754 175.900 -0.058 0.000 1.137 300 Y CA 1.220 59.104 58.100 -0.359 0.000 1.163 300 Y CB -0.876 37.280 38.460 -0.507 0.000 0.988 300 Y HN -0.215 nan 8.280 nan 0.000 0.518 301 R N -0.305 120.198 120.500 0.005 0.000 2.091 301 R HA -0.194 4.143 4.340 -0.006 0.000 0.238 301 R C 2.174 178.467 176.300 -0.011 0.000 1.136 301 R CA 1.717 57.783 56.100 -0.055 0.000 0.959 301 R CB -0.657 29.647 30.300 0.006 0.000 0.856 301 R HN 0.417 nan 8.270 nan 0.000 0.437 302 L N 0.465 121.746 121.223 0.095 0.000 2.046 302 L HA -0.128 4.209 4.340 -0.006 0.000 0.208 302 L C 2.023 179.019 176.870 0.210 0.000 1.077 302 L CA 1.716 56.654 54.840 0.163 0.000 0.747 302 L CB -0.768 41.412 42.059 0.202 0.000 0.896 302 L HN 0.279 nan 8.230 nan 0.000 0.432 303 F N -0.470 119.514 119.950 0.057 0.000 2.134 303 F HA -0.197 4.328 4.527 -0.004 0.000 0.299 303 F C 1.978 177.743 175.800 -0.059 0.000 1.097 303 F CA 1.667 59.702 58.000 0.058 0.000 1.264 303 F CB -0.307 38.745 39.000 0.088 0.000 1.001 303 F HN 0.050 nan 8.300 nan 0.000 0.479 304 L N -0.570 120.456 121.223 -0.328 0.000 2.141 304 L HA -0.175 4.162 4.340 -0.006 0.000 0.209 304 L C 2.354 179.031 176.870 -0.321 0.000 1.094 304 L CA 0.663 55.231 54.840 -0.453 0.000 0.763 304 L CB -0.751 41.068 42.059 -0.400 0.000 0.908 304 L HN 0.078 nan 8.230 nan 0.000 0.437 305 V N -0.718 119.062 119.914 -0.222 0.000 2.307 305 V HA -0.251 3.866 4.120 -0.006 0.000 0.245 305 V C 2.200 178.113 176.094 -0.302 0.000 1.045 305 V CA 1.740 63.900 62.300 -0.233 0.000 1.024 305 V CB -0.486 31.192 31.823 -0.241 0.000 0.651 305 V HN 0.218 nan 8.190 nan 0.000 0.449 306 F N 0.917 120.732 119.950 -0.225 0.000 2.293 306 F HA -0.127 4.397 4.527 -0.006 0.000 0.300 306 F C 2.267 177.922 175.800 -0.241 0.000 1.086 306 F CA 1.695 59.581 58.000 -0.191 0.000 1.375 306 F CB -0.608 38.275 39.000 -0.195 0.000 1.045 306 F HN 0.249 nan 8.300 nan 0.000 0.516 307 N N 0.293 118.814 118.700 -0.299 0.000 2.166 307 N HA -0.181 4.556 4.740 -0.006 0.000 0.186 307 N C 1.715 177.133 175.510 -0.154 0.000 1.019 307 N CA 1.428 54.273 53.050 -0.343 0.000 0.856 307 N CB -0.096 38.057 38.487 -0.557 0.000 0.993 307 N HN 0.074 nan 8.380 nan 0.000 0.426 308 E N 0.193 120.312 120.200 -0.134 0.000 2.107 308 E HA -0.054 4.292 4.350 -0.006 0.000 0.191 308 E C 2.078 178.687 176.600 0.015 0.000 0.982 308 E CA 0.451 56.809 56.400 -0.070 0.000 0.809 308 E CB -0.219 29.436 29.700 -0.075 0.000 0.756 308 E HN 0.481 nan 8.360 nan 0.000 0.459 309 L N 0.243 121.514 121.223 0.079 0.000 2.056 309 L HA -0.130 4.207 4.340 -0.006 0.000 0.207 309 L C 2.472 179.513 176.870 0.285 0.000 1.078 309 L CA 0.782 55.787 54.840 0.274 0.000 0.749 309 L CB -0.485 41.745 42.059 0.285 0.000 0.901 309 L HN -0.021 nan 8.230 nan 0.000 0.433 310 V N -0.136 119.895 119.914 0.195 0.000 2.515 310 V HA -0.264 3.852 4.120 -0.006 0.000 0.250 310 V C 2.105 178.252 176.094 0.088 0.000 1.058 310 V CA 1.910 64.304 62.300 0.156 0.000 1.064 310 V CB -0.450 31.414 31.823 0.069 0.000 0.675 310 V HN 0.458 nan 8.190 nan 0.000 0.461 311 D N 0.512 120.933 120.400 0.035 0.000 2.144 311 D HA -0.125 4.511 4.640 -0.006 0.000 0.200 311 D C 2.132 178.430 176.300 -0.003 0.000 0.978 311 D CA 1.347 55.347 54.000 0.000 0.000 0.833 311 D CB -0.069 40.710 40.800 -0.034 0.000 0.961 311 D HN 0.358 nan 8.370 nan 0.000 0.470 312 A N 0.428 123.245 122.820 -0.005 0.000 1.908 312 A HA -0.231 4.085 4.320 -0.006 0.000 0.218 312 A C 2.185 179.782 177.584 0.021 0.000 1.181 312 A CA 1.842 53.830 52.037 -0.081 0.000 0.627 312 A CB -0.791 18.049 19.000 -0.266 0.000 0.818 312 A HN 0.413 nan 8.150 nan 0.000 0.445 313 E N -0.312 119.966 120.200 0.131 0.000 2.106 313 E HA -0.092 4.254 4.350 -0.006 0.000 0.192 313 E C 2.117 178.761 176.600 0.074 0.000 0.984 313 E CA 0.875 57.360 56.400 0.142 0.000 0.806 313 E CB -0.229 29.582 29.700 0.185 0.000 0.750 313 E HN 0.546 nan 8.360 nan 0.000 0.458 314 A N 1.186 124.036 122.820 0.051 0.000 1.972 314 A HA -0.127 4.189 4.320 -0.006 0.000 0.219 314 A C 2.007 179.596 177.584 0.007 0.000 1.169 314 A CA 1.064 53.116 52.037 0.025 0.000 0.635 314 A CB -0.311 18.697 19.000 0.014 0.000 0.810 314 A HN 0.155 nan 8.150 nan 0.000 0.446 315 R N -1.235 119.261 120.500 -0.007 0.000 2.310 315 R HA 0.180 4.517 4.340 -0.006 0.000 0.202 315 R C 1.083 177.371 176.300 -0.019 0.000 0.933 315 R CA 0.486 56.571 56.100 -0.025 0.000 1.054 315 R CB -0.129 30.140 30.300 -0.052 0.000 0.985 315 R HN 0.657 nan 8.270 nan 0.000 0.489 316 G N 1.562 110.364 108.800 0.002 0.000 2.198 316 G HA2 -0.250 3.706 3.960 -0.006 0.000 0.257 316 G HA3 -0.250 3.706 3.960 -0.006 0.000 0.257 316 G C 0.193 175.094 174.900 0.001 0.000 1.042 316 G CA 0.030 45.137 45.100 0.013 0.000 0.791 316 G HN 0.147 nan 8.290 nan 0.000 0.502 317 V N 0.842 120.746 119.914 -0.018 0.000 2.540 317 V HA 0.284 4.400 4.120 -0.006 0.000 0.297 317 V C 1.021 177.124 176.094 0.014 0.000 1.024 317 V CA 0.809 63.081 62.300 -0.046 0.000 1.105 317 V CB 0.603 32.329 31.823 -0.162 0.000 0.938 317 V HN 0.733 nan 8.190 nan 0.000 0.482 318 K N 3.738 124.142 120.400 0.008 0.000 2.185 318 K HA 0.628 4.945 4.320 -0.006 0.000 0.271 318 K C 0.939 177.553 176.600 0.023 0.000 1.013 318 K CA 0.105 56.406 56.287 0.024 0.000 0.943 318 K CB 0.528 33.043 32.500 0.025 0.000 0.998 318 K HN 0.948 nan 8.250 nan 0.000 0.468 319 G N 1.166 109.958 108.800 -0.014 0.000 2.233 319 G HA2 -0.299 3.658 3.960 -0.006 0.000 0.270 319 G HA3 -0.299 3.658 3.960 -0.006 0.000 0.270 319 G C -0.692 174.099 174.900 -0.182 0.000 1.011 319 G CA 0.349 45.412 45.100 -0.061 0.000 0.762 319 G HN 0.635 nan 8.290 nan 0.000 0.511 320 F N 2.765 122.454 119.950 -0.436 0.000 2.368 320 F HA 0.556 5.079 4.527 -0.006 0.000 0.362 320 F C 0.269 175.795 175.800 -0.457 0.000 1.137 320 F CA -1.614 56.200 58.000 -0.310 0.000 1.161 320 F CB 0.321 39.242 39.000 -0.132 0.000 1.265 320 F HN 0.224 nan 8.300 nan 0.000 0.530 321 H N 6.590 125.484 119.070 -0.293 0.000 2.439 321 H HA 0.236 4.788 4.556 -0.006 0.000 0.228 321 H C -2.363 172.735 175.328 -0.383 0.000 1.423 321 H CA -1.521 54.335 56.048 -0.320 0.000 1.386 321 H CB 0.059 29.757 29.762 -0.106 0.000 1.641 321 H HN 0.457 nan 8.280 nan 0.000 0.508 322 P HA 0.192 nan 4.420 nan 0.000 0.269 322 P C 0.073 177.083 177.300 -0.483 0.000 1.209 322 P CA -0.306 62.504 63.100 -0.484 0.000 0.776 322 P CB 1.274 32.671 31.700 -0.505 0.000 0.876 323 A N 2.981 125.566 122.820 -0.392 0.000 2.354 323 A HA 0.348 4.664 4.320 -0.006 0.000 0.269 323 A C -0.439 176.959 177.584 -0.309 0.000 1.109 323 A CA -0.327 51.549 52.037 -0.268 0.000 0.800 323 A CB -0.243 18.684 19.000 -0.122 0.000 1.045 323 A HN 0.700 nan 8.150 nan 0.000 0.489 324 H N 0.740 119.881 119.070 0.119 0.000 2.589 324 H HA 0.598 5.151 4.556 -0.005 0.000 0.335 324 H C -0.813 174.668 175.328 0.255 0.000 1.019 324 H CA -0.237 55.987 56.048 0.293 0.000 1.213 324 H CB 1.510 31.471 29.762 0.332 0.000 1.472 324 H HN 0.646 nan 8.280 nan 0.000 0.508 325 M N 2.831 122.676 119.600 0.408 0.000 2.501 325 M HA 0.401 4.878 4.480 -0.006 0.000 0.293 325 M C -0.940 175.520 176.300 0.268 0.000 1.192 325 M CA -0.322 55.137 55.300 0.265 0.000 0.886 325 M CB 2.354 35.069 32.600 0.192 0.000 1.710 325 M HN 0.403 nan 8.290 nan 0.000 0.457 326 I N 1.571 122.217 120.570 0.127 0.000 2.365 326 I HA 0.308 4.474 4.170 -0.006 0.000 0.291 326 I C -0.544 175.501 176.117 -0.121 0.000 1.004 326 I CA -0.097 61.257 61.300 0.090 0.000 1.311 326 I CB 0.940 38.964 38.000 0.040 0.000 1.401 326 I HN 0.610 nan 8.210 nan 0.000 0.491 327 D N 6.965 127.315 120.400 -0.083 0.000 2.389 327 D HA 0.370 5.007 4.640 -0.006 0.000 0.256 327 D C -0.957 175.317 176.300 -0.042 0.000 1.239 327 D CA -0.232 53.717 54.000 -0.085 0.000 0.925 327 D CB 0.768 41.460 40.800 -0.181 0.000 1.145 327 D HN 0.480 nan 8.370 nan 0.000 0.542 328 Q N 1.506 121.193 119.800 -0.188 0.000 2.501 328 Q HA 0.574 4.910 4.340 -0.006 0.000 0.288 328 Q C -1.144 174.465 176.000 -0.652 0.000 1.051 328 Q CA -0.901 54.744 55.803 -0.263 0.000 0.788 328 Q CB 2.378 31.015 28.738 -0.169 0.000 1.469 328 Q HN 0.297 nan 8.270 nan 0.000 0.416 329 F N 0.218 119.963 119.950 -0.342 0.000 2.540 329 F HA 0.394 4.918 4.527 -0.006 0.000 0.317 329 F C -0.667 174.824 175.800 -0.515 0.000 1.104 329 F CA -0.645 57.163 58.000 -0.320 0.000 0.913 329 F CB 1.734 40.701 39.000 -0.055 0.000 1.170 329 F HN 0.490 nan 8.300 nan 0.000 0.450 330 H N 2.409 121.628 119.070 0.248 0.000 2.673 330 H HA 0.337 4.890 4.556 -0.006 0.000 0.293 330 H C 0.057 175.494 175.328 0.181 0.000 1.065 330 H CA -0.581 55.567 56.048 0.168 0.000 1.236 330 H CB 0.520 30.340 29.762 0.096 0.000 1.389 330 H HN 0.438 nan 8.280 nan 0.000 0.481 331 N N 1.797 120.637 118.700 0.234 0.000 2.409 331 N HA -0.050 4.686 4.740 -0.006 0.000 0.174 331 N C 1.047 176.686 175.510 0.215 0.000 1.037 331 N CA 0.720 53.903 53.050 0.221 0.000 0.898 331 N CB 0.863 39.472 38.487 0.203 0.000 1.010 331 N HN 0.487 nan 8.380 nan 0.000 0.445 332 V N -2.289 117.733 119.914 0.180 0.000 3.078 332 V HA 0.440 4.557 4.120 -0.006 0.000 0.344 332 V C 0.055 176.217 176.094 0.112 0.000 1.409 332 V CA -0.269 62.109 62.300 0.129 0.000 1.146 332 V CB -0.201 31.677 31.823 0.092 0.000 1.126 332 V HN 0.145 nan 8.190 nan 0.000 0.513 333 T N -3.689 110.946 114.554 0.136 0.000 2.812 333 T HA 0.465 4.811 4.350 -0.006 0.000 0.294 333 T C -1.153 173.604 174.700 0.095 0.000 1.159 333 T CA -0.331 61.830 62.100 0.101 0.000 1.008 333 T CB 2.103 71.022 68.868 0.085 0.000 1.289 333 T HN 0.166 nan 8.240 nan 0.000 0.514 334 D N 1.358 121.795 120.400 0.063 0.000 2.358 334 D HA 0.228 4.865 4.640 -0.006 0.000 0.258 334 D C -1.517 174.756 176.300 -0.045 0.000 1.223 334 D CA -1.902 52.134 54.000 0.060 0.000 0.886 334 D CB 1.361 42.227 40.800 0.110 0.000 1.120 334 D HN 0.112 nan 8.370 nan 0.000 0.482 335 P HA -0.153 nan 4.420 nan 0.000 0.216 335 P C 1.641 178.735 177.300 -0.343 0.000 1.154 335 P CA 1.056 64.041 63.100 -0.192 0.000 0.865 335 P CB 0.250 31.969 31.700 0.031 0.000 0.789 336 I N -0.626 119.800 120.570 -0.239 0.000 2.226 336 I HA -0.228 3.939 4.170 -0.006 0.000 0.245 336 I C 2.248 178.082 176.117 -0.471 0.000 1.100 336 I CA 1.524 62.606 61.300 -0.363 0.000 1.374 336 I CB -0.633 37.109 38.000 -0.430 0.000 1.057 336 I HN 0.027 nan 8.210 nan 0.000 0.413 337 E N 0.354 120.288 120.200 -0.444 0.000 2.072 337 E HA -0.161 4.186 4.350 -0.006 0.000 0.191 337 E C 2.349 178.803 176.600 -0.244 0.000 0.985 337 E CA 1.347 57.548 56.400 -0.332 0.000 0.801 337 E CB -0.069 29.534 29.700 -0.162 0.000 0.750 337 E HN 0.323 nan 8.360 nan 0.000 0.452 338 S N 0.886 116.414 115.700 -0.286 0.000 2.368 338 S HA -0.072 4.395 4.470 -0.006 0.000 0.224 338 S C 1.996 176.432 174.600 -0.273 0.000 1.029 338 S CA 0.690 58.729 58.200 -0.269 0.000 0.988 338 S CB -0.086 62.893 63.200 -0.369 0.000 0.838 338 S HN 0.168 nan 8.310 nan 0.000 0.462 339 L N 0.773 121.763 121.223 -0.389 0.000 2.093 339 L HA -0.055 4.281 4.340 -0.006 0.000 0.208 339 L C 2.109 178.885 176.870 -0.156 0.000 1.085 339 L CA 0.893 55.597 54.840 -0.226 0.000 0.755 339 L CB -0.458 41.462 42.059 -0.231 0.000 0.904 339 L HN 0.310 nan 8.230 nan 0.000 0.435 340 I N 0.014 120.470 120.570 -0.191 0.000 2.142 340 I HA -0.310 3.856 4.170 -0.006 0.000 0.240 340 I C 2.096 178.155 176.117 -0.097 0.000 1.078 340 I CA 1.337 62.549 61.300 -0.147 0.000 1.343 340 I CB -0.321 37.569 38.000 -0.184 0.000 1.046 340 I HN 0.328 nan 8.210 nan 0.000 0.405 341 N N 0.333 118.979 118.700 -0.091 0.000 2.309 341 N HA -0.101 4.635 4.740 -0.006 0.000 0.182 341 N C 1.945 177.433 175.510 -0.037 0.000 1.018 341 N CA 1.025 54.043 53.050 -0.054 0.000 0.876 341 N CB -0.184 38.279 38.487 -0.041 0.000 0.972 341 N HN 0.199 nan 8.380 nan 0.000 0.434 342 S N 0.454 116.135 115.700 -0.032 0.000 2.371 342 S HA 0.014 4.481 4.470 -0.006 0.000 0.224 342 S C 2.061 176.647 174.600 -0.023 0.000 1.029 342 S CA 0.935 59.135 58.200 -0.001 0.000 0.978 342 S CB -0.244 62.980 63.200 0.041 0.000 0.833 342 S HN 0.478 nan 8.310 nan 0.000 0.466 343 A N 2.242 125.043 122.820 -0.032 0.000 1.933 343 A HA -0.151 4.165 4.320 -0.006 0.000 0.218 343 A C 1.846 179.401 177.584 -0.048 0.000 1.175 343 A CA 1.591 53.612 52.037 -0.028 0.000 0.628 343 A CB -0.828 18.160 19.000 -0.019 0.000 0.814 343 A HN 0.617 nan 8.150 nan 0.000 0.444 344 N N -0.590 118.080 118.700 -0.051 0.000 2.120 344 N HA -0.148 4.589 4.740 -0.006 0.000 0.188 344 N C 1.598 177.057 175.510 -0.085 0.000 1.024 344 N CA 1.130 54.144 53.050 -0.059 0.000 0.852 344 N CB -0.126 38.333 38.487 -0.048 0.000 1.003 344 N HN 0.369 nan 8.380 nan 0.000 0.424 345 E N 1.111 121.268 120.200 -0.072 0.000 2.110 345 E HA -0.108 4.239 4.350 -0.006 0.000 0.193 345 E C 2.042 178.555 176.600 -0.144 0.000 0.988 345 E CA 0.635 56.991 56.400 -0.073 0.000 0.804 345 E CB -0.152 29.535 29.700 -0.022 0.000 0.745 345 E HN 0.475 nan 8.360 nan 0.000 0.458 346 I N 0.480 120.935 120.570 -0.193 0.000 2.179 346 I HA -0.250 3.916 4.170 -0.006 0.000 0.242 346 I C 2.567 178.320 176.117 -0.607 0.000 1.088 346 I CA 1.010 62.089 61.300 -0.370 0.000 1.357 346 I CB -0.191 37.603 38.000 -0.342 0.000 1.051 346 I HN -0.014 nan 8.210 nan 0.000 0.409 347 R N 0.149 120.410 120.500 -0.397 0.000 2.115 347 R HA -0.145 4.191 4.340 -0.006 0.000 0.230 347 R C 2.423 178.521 176.300 -0.336 0.000 1.111 347 R CA 0.950 56.808 56.100 -0.404 0.000 0.976 347 R CB -0.276 29.930 30.300 -0.156 0.000 0.870 347 R HN 0.328 nan 8.270 nan 0.000 0.445 348 R N 0.576 120.926 120.500 -0.250 0.000 2.070 348 R HA -0.118 4.219 4.340 -0.006 0.000 0.233 348 R C 2.131 178.318 176.300 -0.188 0.000 1.137 348 R CA 1.624 57.617 56.100 -0.178 0.000 0.945 348 R CB -0.234 29.997 30.300 -0.115 0.000 0.845 348 R HN 0.190 nan 8.270 nan 0.000 0.430 349 A N 0.037 122.724 122.820 -0.221 0.000 1.902 349 A HA -0.222 4.095 4.320 -0.006 0.000 0.217 349 A C 2.014 179.388 177.584 -0.350 0.000 1.181 349 A CA 1.373 53.350 52.037 -0.101 0.000 0.623 349 A CB -0.868 18.128 19.000 -0.006 0.000 0.818 349 A HN 0.632 nan 8.150 nan 0.000 0.443 350 Y N 0.748 120.384 120.300 -1.106 0.000 2.145 350 Y HA -0.096 4.451 4.550 -0.006 0.000 0.286 350 Y C 2.636 178.234 175.900 -0.503 0.000 1.145 350 Y CA 1.260 58.653 58.100 -1.179 0.000 1.148 350 Y CB -0.756 36.671 38.460 -1.722 0.000 0.981 350 Y HN 0.297 nan 8.280 nan 0.000 0.507 351 A N 0.304 122.829 122.820 -0.491 0.000 1.908 351 A HA -0.282 4.034 4.320 -0.006 0.000 0.218 351 A C 2.119 179.554 177.584 -0.248 0.000 1.181 351 A CA 2.122 53.927 52.037 -0.387 0.000 0.627 351 A CB -0.839 18.033 19.000 -0.214 0.000 0.818 351 A HN 0.697 nan 8.150 nan 0.000 0.445 352 Q N -0.770 118.968 119.800 -0.105 0.000 2.124 352 Q HA -0.051 4.285 4.340 -0.006 0.000 0.202 352 Q C 2.384 178.532 176.000 0.246 0.000 0.977 352 Q CA 1.277 57.127 55.803 0.078 0.000 0.850 352 Q CB -0.391 28.439 28.738 0.153 0.000 0.901 352 Q HN 0.694 nan 8.270 nan 0.000 0.429 353 A N 0.867 123.769 122.820 0.137 0.000 1.933 353 A HA -0.147 4.170 4.320 -0.006 0.000 0.218 353 A C 2.012 179.546 177.584 -0.084 0.000 1.175 353 A CA 1.021 53.050 52.037 -0.014 0.000 0.628 353 A CB -0.598 18.307 19.000 -0.160 0.000 0.814 353 A HN 0.302 nan 8.150 nan 0.000 0.444 354 L N -0.670 120.413 121.223 -0.234 0.000 2.201 354 L HA -0.113 4.223 4.340 -0.006 0.000 0.212 354 L C 2.120 178.928 176.870 -0.104 0.000 1.105 354 L CA 0.681 55.385 54.840 -0.227 0.000 0.775 354 L CB -0.420 41.414 42.059 -0.376 0.000 0.913 354 L HN 0.381 nan 8.230 nan 0.000 0.440 355 L N -0.776 120.413 121.223 -0.058 0.000 2.478 355 L HA 0.004 4.341 4.340 -0.006 0.000 0.223 355 L C 0.820 177.705 176.870 0.025 0.000 1.140 355 L CA -0.248 54.578 54.840 -0.023 0.000 0.842 355 L CB -0.210 41.833 42.059 -0.026 0.000 0.953 355 L HN -0.038 nan 8.230 nan 0.000 0.452 356 V N 1.374 121.329 119.914 0.068 0.000 2.557 356 V HA -0.132 3.985 4.120 -0.006 0.000 0.301 356 V C 0.499 176.624 176.094 0.052 0.000 1.026 356 V CA 0.192 62.550 62.300 0.096 0.000 1.137 356 V CB 0.441 32.335 31.823 0.118 0.000 0.917 356 V HN 0.156 nan 8.190 nan 0.000 0.484 357 D N 5.144 125.579 120.400 0.059 0.000 2.416 357 D HA 0.105 4.742 4.640 -0.006 0.000 0.240 357 D C 1.268 177.590 176.300 0.037 0.000 1.250 357 D CA -0.037 53.985 54.000 0.037 0.000 0.967 357 D CB 0.387 41.213 40.800 0.043 0.000 1.059 357 D HN 0.460 nan 8.370 nan 0.000 0.512 358 R N 2.316 122.828 120.500 0.019 0.000 2.235 358 R HA -0.000 4.336 4.340 -0.006 0.000 0.213 358 R C 1.866 178.161 176.300 -0.009 0.000 1.059 358 R CA 0.822 56.929 56.100 0.013 0.000 0.997 358 R CB 0.196 30.500 30.300 0.007 0.000 0.884 358 R HN 0.380 nan 8.270 nan 0.000 0.462 359 A N 1.346 124.153 122.820 -0.022 0.000 1.872 359 A HA -0.038 4.278 4.320 -0.006 0.000 0.214 359 A C 2.352 179.881 177.584 -0.092 0.000 1.187 359 A CA 1.467 53.475 52.037 -0.047 0.000 0.614 359 A CB -0.514 18.459 19.000 -0.044 0.000 0.826 359 A HN 0.338 nan 8.150 nan 0.000 0.442 360 A N -0.497 122.268 122.820 -0.092 0.000 1.898 360 A HA -0.017 4.299 4.320 -0.006 0.000 0.216 360 A C 2.126 179.584 177.584 -0.210 0.000 1.181 360 A CA 1.700 53.613 52.037 -0.207 0.000 0.620 360 A CB -0.651 18.312 19.000 -0.062 0.000 0.819 360 A HN 0.639 nan 8.150 nan 0.000 0.442 361 L N 1.025 122.256 121.223 0.013 0.000 2.042 361 L HA -0.176 4.161 4.340 -0.006 0.000 0.210 361 L C 2.789 179.683 176.870 0.040 0.000 1.076 361 L CA 2.859 57.766 54.840 0.111 0.000 0.749 361 L CB -0.732 41.386 42.059 0.099 0.000 0.893 361 L HN 0.526 nan 8.230 nan 0.000 0.432 362 S N -1.146 114.542 115.700 -0.019 0.000 2.370 362 S HA -0.123 4.344 4.470 -0.006 0.000 0.226 362 S C 2.120 176.689 174.600 -0.052 0.000 1.033 362 S CA 0.941 59.125 58.200 -0.026 0.000 1.011 362 S CB -1.690 61.489 63.200 -0.035 0.000 0.852 362 S HN 0.505 nan 8.310 nan 0.000 0.457 363 G N 0.294 109.009 108.800 -0.140 0.000 2.402 363 G HA2 -0.109 3.847 3.960 -0.006 0.000 0.216 363 G HA3 -0.109 3.847 3.960 -0.006 0.000 0.216 363 G C 1.198 176.028 174.900 -0.116 0.000 1.162 363 G CA 0.809 45.798 45.100 -0.184 0.000 0.777 363 G HN 0.566 nan 8.290 nan 0.000 0.539 364 Y N 1.000 121.303 120.300 0.005 0.000 2.293 364 Y HA -0.041 4.505 4.550 -0.005 0.000 0.291 364 Y C 3.078 178.981 175.900 0.005 0.000 1.137 364 Y CA 1.033 59.137 58.100 0.007 0.000 1.202 364 Y CB -0.462 38.005 38.460 0.011 0.000 0.990 364 Y HN 0.301 nan 8.280 nan 0.000 0.537 365 Q N -0.078 119.806 119.800 0.141 0.000 2.083 365 Q HA -0.161 4.175 4.340 -0.006 0.000 0.198 365 Q C 1.965 177.995 176.000 0.051 0.000 0.969 365 Q CA 1.458 57.309 55.803 0.080 0.000 0.838 365 Q CB -0.168 28.600 28.738 0.050 0.000 0.900 365 Q HN 0.587 nan 8.270 nan 0.000 0.436 366 E N 0.927 121.146 120.200 0.033 0.000 2.077 366 E HA -0.163 4.184 4.350 -0.006 0.000 0.193 366 E C 1.018 177.635 176.600 0.028 0.000 0.989 366 E CA 1.033 57.443 56.400 0.017 0.000 0.800 366 E CB 0.045 29.743 29.700 -0.003 0.000 0.746 366 E HN 0.316 nan 8.360 nan 0.000 0.452 367 D N 0.194 120.623 120.400 0.047 0.000 2.328 367 D HA 0.019 4.655 4.640 -0.006 0.000 0.226 367 D C -0.420 175.918 176.300 0.062 0.000 1.066 367 D CA 0.132 54.165 54.000 0.055 0.000 0.861 367 D CB -0.121 40.723 40.800 0.073 0.000 0.912 367 D HN 0.129 nan 8.370 nan 0.000 0.521 368 N N 1.378 120.115 118.700 0.061 0.000 2.727 368 N HA -0.185 4.551 4.740 -0.006 0.000 0.249 368 N C -0.654 174.886 175.510 0.049 0.000 1.048 368 N CA 0.405 53.484 53.050 0.048 0.000 0.714 368 N CB -0.633 37.873 38.487 0.031 0.000 0.959 368 N HN 0.097 nan 8.380 nan 0.000 0.544 369 D N -0.012 120.435 120.400 0.079 0.000 2.564 369 D HA 0.450 5.087 4.640 -0.006 0.000 0.226 369 D C 1.095 177.389 176.300 -0.009 0.000 1.149 369 D CA 0.264 54.290 54.000 0.042 0.000 0.994 369 D CB 0.146 41.011 40.800 0.108 0.000 1.029 369 D HN 0.372 nan 8.370 nan 0.000 0.517 370 A N 3.431 126.246 122.820 -0.008 0.000 1.908 370 A HA -0.191 4.126 4.320 -0.006 0.000 0.218 370 A C 2.077 179.631 177.584 -0.050 0.000 1.181 370 A CA 1.057 53.085 52.037 -0.014 0.000 0.627 370 A CB -0.502 18.495 19.000 -0.005 0.000 0.818 370 A HN 0.597 nan 8.150 nan 0.000 0.445 371 L N -1.395 119.782 121.223 -0.076 0.000 2.017 371 L HA -0.170 4.167 4.340 -0.006 0.000 0.208 371 L C 2.472 179.237 176.870 -0.176 0.000 1.073 371 L CA 1.803 56.584 54.840 -0.099 0.000 0.745 371 L CB -0.219 41.787 42.059 -0.089 0.000 0.894 371 L HN 0.279 nan 8.230 nan 0.000 0.432 372 M N -0.669 118.734 119.600 -0.328 0.000 2.319 372 M HA -0.064 4.412 4.480 -0.006 0.000 0.265 372 M C 2.386 178.369 176.300 -0.528 0.000 1.068 372 M CA 1.470 56.392 55.300 -0.631 0.000 1.118 372 M CB -1.469 30.316 32.600 -1.359 0.000 1.395 372 M HN 0.465 nan 8.290 nan 0.000 0.435 373 A N -0.720 121.942 122.820 -0.264 0.000 1.873 373 A HA -0.152 4.165 4.320 -0.006 0.000 0.215 373 A C 2.388 179.989 177.584 0.029 0.000 1.186 373 A CA 2.335 54.378 52.037 0.010 0.000 0.616 373 A CB -1.139 17.906 19.000 0.075 0.000 0.823 373 A HN 0.422 nan 8.150 nan 0.000 0.442 374 T N -1.006 113.550 114.554 0.002 0.000 2.821 374 T HA -0.116 4.230 4.350 -0.006 0.000 0.267 374 T C 1.898 176.627 174.700 0.048 0.000 1.046 374 T CA 1.791 63.922 62.100 0.051 0.000 1.139 374 T CB -0.215 68.678 68.868 0.041 0.000 0.871 374 T HN 0.600 nan 8.240 nan 0.000 0.454 375 E N 0.382 120.569 120.200 -0.021 0.000 2.204 375 E HA -0.061 4.286 4.350 -0.006 0.000 0.194 375 E C 2.095 178.707 176.600 0.018 0.000 0.989 375 E CA 1.437 57.822 56.400 -0.024 0.000 0.824 375 E CB -0.566 29.087 29.700 -0.078 0.000 0.756 375 E HN 0.393 nan 8.360 nan 0.000 0.477 376 T N 0.717 115.297 114.554 0.043 0.000 2.821 376 T HA -0.045 4.302 4.350 -0.006 0.000 0.267 376 T C 1.698 176.486 174.700 0.146 0.000 1.046 376 T CA 1.139 63.309 62.100 0.115 0.000 1.139 376 T CB -0.134 68.855 68.868 0.202 0.000 0.871 376 T HN 0.145 nan 8.240 nan 0.000 0.454 377 L N 0.327 121.660 121.223 0.184 0.000 2.072 377 L HA -0.024 4.313 4.340 -0.006 0.000 0.205 377 L C 2.732 179.745 176.870 0.238 0.000 1.079 377 L CA 0.940 55.968 54.840 0.312 0.000 0.752 377 L CB -0.393 41.901 42.059 0.390 0.000 0.906 377 L HN 0.062 nan 8.230 nan 0.000 0.436 378 K N 0.500 120.987 120.400 0.146 0.000 2.147 378 K HA -0.123 4.194 4.320 -0.006 0.000 0.205 378 K C 2.123 178.724 176.600 0.002 0.000 1.049 378 K CA 1.142 57.459 56.287 0.051 0.000 0.936 378 K CB -0.256 32.239 32.500 -0.009 0.000 0.722 378 K HN 0.309 nan 8.250 nan 0.000 0.446 379 R N 0.174 120.683 120.500 0.016 0.000 2.120 379 R HA -0.078 4.259 4.340 -0.006 0.000 0.234 379 R C 2.253 178.536 176.300 -0.030 0.000 1.123 379 R CA 1.271 57.364 56.100 -0.012 0.000 0.975 379 R CB -0.232 30.074 30.300 0.010 0.000 0.866 379 R HN 0.158 nan 8.270 nan 0.000 0.446 380 A N 0.143 122.969 122.820 0.009 0.000 1.855 380 A HA -0.165 4.151 4.320 -0.006 0.000 0.213 380 A C 1.932 179.438 177.584 -0.130 0.000 1.195 380 A CA 0.810 52.849 52.037 0.003 0.000 0.610 380 A CB -0.701 18.396 19.000 0.162 0.000 0.837 380 A HN 0.404 nan 8.150 nan 0.000 0.444 381 Y N 0.908 120.933 120.300 -0.459 0.000 2.224 381 Y HA -0.163 4.384 4.550 -0.005 0.000 0.289 381 Y C 2.318 178.008 175.900 -0.351 0.000 1.146 381 Y CA 1.887 59.575 58.100 -0.688 0.000 1.182 381 Y CB -0.208 37.666 38.460 -0.977 0.000 0.983 381 Y HN 0.228 nan 8.280 nan 0.000 0.524 382 R N -0.297 119.977 120.500 -0.377 0.000 2.235 382 R HA -0.006 4.330 4.340 -0.006 0.000 0.213 382 R C 0.389 176.505 176.300 -0.307 0.000 1.059 382 R CA 0.874 56.752 56.100 -0.370 0.000 0.997 382 R CB -0.495 29.688 30.300 -0.195 0.000 0.884 382 R HN 0.163 nan 8.270 nan 0.000 0.462 383 T N 1.591 115.991 114.554 -0.257 0.000 2.853 383 T HA -0.034 4.313 4.350 -0.006 0.000 0.298 383 T C -0.133 174.438 174.700 -0.215 0.000 0.978 383 T CA -0.063 61.920 62.100 -0.195 0.000 1.152 383 T CB 0.934 69.713 68.868 -0.148 0.000 0.914 383 T HN -0.009 nan 8.240 nan 0.000 0.539 384 D N 3.341 123.635 120.400 -0.176 0.000 2.402 384 D HA 0.102 4.738 4.640 -0.006 0.000 0.235 384 D C 1.138 177.359 176.300 -0.131 0.000 1.226 384 D CA -0.712 53.193 54.000 -0.157 0.000 0.918 384 D CB 0.319 41.043 40.800 -0.127 0.000 1.043 384 D HN 0.341 nan 8.370 nan 0.000 0.506 385 V N 1.604 121.438 119.914 -0.133 0.000 3.646 385 V HA 0.101 4.218 4.120 -0.006 0.000 0.277 385 V C 1.722 177.773 176.094 -0.072 0.000 1.274 385 V CA 0.133 62.368 62.300 -0.109 0.000 1.164 385 V CB -0.070 31.683 31.823 -0.117 0.000 0.926 385 V HN 0.274 nan 8.190 nan 0.000 0.442 386 E N 2.555 122.715 120.200 -0.067 0.000 2.097 386 E HA -0.128 4.219 4.350 -0.006 0.000 0.196 386 E C -0.142 176.459 176.600 0.002 0.000 1.000 386 E CA 2.365 58.742 56.400 -0.038 0.000 0.804 386 E CB -1.459 28.217 29.700 -0.041 0.000 0.740 386 E HN 0.511 nan 8.360 nan 0.000 0.454 387 P HA -0.102 nan 4.420 nan 0.000 0.216 387 P C 1.227 178.662 177.300 0.226 0.000 1.150 387 P CA 1.274 64.445 63.100 0.118 0.000 0.837 387 P CB -0.030 31.733 31.700 0.106 0.000 0.786 388 I N -1.425 119.228 120.570 0.139 0.000 2.252 388 I HA -0.211 3.955 4.170 -0.006 0.000 0.245 388 I C 2.188 178.365 176.117 0.100 0.000 1.102 388 I CA 1.280 62.686 61.300 0.177 0.000 1.385 388 I CB -0.603 37.417 38.000 0.034 0.000 1.064 388 I HN -0.105 nan 8.210 nan 0.000 0.414 389 L N 0.425 121.669 121.223 0.035 0.000 2.056 389 L HA -0.160 4.176 4.340 -0.006 0.000 0.207 389 L C 2.861 179.740 176.870 0.014 0.000 1.078 389 L CA 1.285 56.131 54.840 0.010 0.000 0.749 389 L CB -0.877 41.170 42.059 -0.021 0.000 0.901 389 L HN 0.221 nan 8.230 nan 0.000 0.433 390 A N 0.238 123.070 122.820 0.020 0.000 1.898 390 A HA -0.230 4.086 4.320 -0.006 0.000 0.216 390 A C 2.222 179.796 177.584 -0.016 0.000 1.181 390 A CA 1.805 53.844 52.037 0.004 0.000 0.620 390 A CB -0.419 18.585 19.000 0.007 0.000 0.819 390 A HN 0.396 nan 8.150 nan 0.000 0.442 391 E N 0.537 120.727 120.200 -0.018 0.000 2.106 391 E HA -0.033 4.313 4.350 -0.006 0.000 0.192 391 E C 1.936 178.496 176.600 -0.067 0.000 0.984 391 E CA 1.592 57.922 56.400 -0.117 0.000 0.806 391 E CB -0.529 28.981 29.700 -0.317 0.000 0.750 391 E HN 0.431 nan 8.360 nan 0.000 0.458 392 A N 0.903 123.719 122.820 -0.006 0.000 1.908 392 A HA -0.195 4.121 4.320 -0.006 0.000 0.218 392 A C 2.262 179.849 177.584 0.006 0.000 1.181 392 A CA 1.722 53.764 52.037 0.009 0.000 0.627 392 A CB -0.486 18.532 19.000 0.030 0.000 0.818 392 A HN 0.234 nan 8.150 nan 0.000 0.445 393 R N -1.144 119.356 120.500 0.001 0.000 2.066 393 R HA -0.085 4.252 4.340 -0.006 0.000 0.232 393 R C 2.557 178.849 176.300 -0.013 0.000 1.131 393 R CA 1.310 57.410 56.100 0.001 0.000 0.955 393 R CB -0.368 29.930 30.300 -0.003 0.000 0.851 393 R HN 0.561 nan 8.270 nan 0.000 0.432 394 R N 1.792 122.272 120.500 -0.032 0.000 2.096 394 R HA -0.196 4.141 4.340 -0.006 0.000 0.240 394 R C 2.285 178.561 176.300 -0.041 0.000 1.139 394 R CA 2.175 58.248 56.100 -0.045 0.000 0.952 394 R CB -0.158 30.100 30.300 -0.070 0.000 0.854 394 R HN 0.257 nan 8.270 nan 0.000 0.436 395 R N -0.218 120.256 120.500 -0.043 0.000 2.235 395 R HA -0.022 4.315 4.340 -0.006 0.000 0.213 395 R C 1.182 177.478 176.300 -0.006 0.000 1.059 395 R CA 1.622 57.703 56.100 -0.031 0.000 0.997 395 R CB -0.235 30.042 30.300 -0.037 0.000 0.884 395 R HN 0.243 nan 8.270 nan 0.000 0.462 396 T N -3.841 110.717 114.554 0.006 0.000 3.134 396 T HA 0.372 4.719 4.350 -0.006 0.000 0.260 396 T C 1.141 175.855 174.700 0.023 0.000 1.027 396 T CA -0.001 62.115 62.100 0.026 0.000 0.913 396 T CB 0.981 69.881 68.868 0.053 0.000 1.046 396 T HN 0.433 nan 8.240 nan 0.000 0.553 397 G N 0.120 108.924 108.800 0.006 0.000 2.157 397 G HA2 -0.029 3.927 3.960 -0.006 0.000 0.239 397 G HA3 -0.029 3.927 3.960 -0.006 0.000 0.239 397 G C 0.430 175.328 174.900 -0.004 0.000 0.982 397 G CA -0.281 44.819 45.100 0.001 0.000 0.650 397 G HN 0.993 nan 8.290 nan 0.000 0.527 398 G N -0.501 108.298 108.800 -0.003 0.000 2.532 398 G HA2 0.831 4.788 3.960 -0.006 0.000 0.291 398 G HA3 0.831 4.788 3.960 -0.006 0.000 0.291 398 G C 0.181 175.070 174.900 -0.017 0.000 1.349 398 G CA 0.194 45.290 45.100 -0.005 0.000 1.038 398 G HN 1.517 nan 8.290 nan 0.000 0.518 399 A N -1.205 121.607 122.820 -0.014 0.000 2.305 399 A HA 0.560 4.877 4.320 -0.006 0.000 0.322 399 A C 1.149 178.724 177.584 -0.015 0.000 1.187 399 A CA -0.510 51.518 52.037 -0.016 0.000 0.825 399 A CB 1.608 20.603 19.000 -0.007 0.000 1.164 399 A HN 0.662 nan 8.150 nan 0.000 0.498 400 V N 1.356 121.259 119.914 -0.018 0.000 2.332 400 V HA -0.117 4.000 4.120 -0.006 0.000 0.248 400 V C 0.836 176.923 176.094 -0.011 0.000 1.055 400 V CA 2.420 64.710 62.300 -0.018 0.000 1.038 400 V CB -0.296 31.515 31.823 -0.021 0.000 0.651 400 V HN 0.887 nan 8.190 nan 0.000 0.450 401 D N -1.470 118.926 120.400 -0.007 0.000 2.438 401 D HA 0.240 4.877 4.640 -0.006 0.000 0.257 401 D C -1.958 174.345 176.300 0.005 0.000 1.148 401 D CA -2.048 51.951 54.000 -0.002 0.000 0.902 401 D CB 1.952 42.753 40.800 0.001 0.000 1.062 401 D HN 0.061 nan 8.370 nan 0.000 0.518 402 P HA -0.174 nan 4.420 nan 0.000 0.214 402 P C 1.665 178.986 177.300 0.034 0.000 1.163 402 P CA 0.703 63.804 63.100 0.002 0.000 0.889 402 P CB 0.488 32.172 31.700 -0.027 0.000 0.790 403 V N -0.197 119.731 119.914 0.024 0.000 2.407 403 V HA -0.241 3.876 4.120 -0.006 0.000 0.248 403 V C 2.456 178.621 176.094 0.119 0.000 1.055 403 V CA 2.163 64.506 62.300 0.072 0.000 1.049 403 V CB -1.748 30.094 31.823 0.031 0.000 0.662 403 V HN 0.105 nan 8.190 nan 0.000 0.455 404 A N -0.223 122.636 122.820 0.065 0.000 1.902 404 A HA -0.217 4.099 4.320 -0.006 0.000 0.217 404 A C 2.399 180.014 177.584 0.053 0.000 1.181 404 A CA 2.485 54.552 52.037 0.051 0.000 0.623 404 A CB -0.904 18.110 19.000 0.025 0.000 0.818 404 A HN 0.503 nan 8.150 nan 0.000 0.443 405 T N -1.617 112.970 114.554 0.055 0.000 2.821 405 T HA -0.132 4.215 4.350 -0.006 0.000 0.267 405 T C 1.782 176.525 174.700 0.072 0.000 1.046 405 T CA 1.509 63.635 62.100 0.044 0.000 1.139 405 T CB -0.416 68.471 68.868 0.031 0.000 0.871 405 T HN 0.575 nan 8.240 nan 0.000 0.454 406 Y N 2.379 122.668 120.300 -0.017 0.000 2.128 406 Y HA -0.151 4.395 4.550 -0.007 0.000 0.284 406 Y C 2.432 178.348 175.900 0.028 0.000 1.154 406 Y CA 1.315 59.409 58.100 -0.010 0.000 1.149 406 Y CB -0.202 38.242 38.460 -0.027 0.000 0.976 406 Y HN 0.006 nan 8.280 nan 0.000 0.505 407 R N -0.154 120.340 120.500 -0.010 0.000 2.092 407 R HA -0.078 4.259 4.340 -0.006 0.000 0.231 407 R C 2.486 178.731 176.300 -0.091 0.000 1.119 407 R CA 1.014 57.057 56.100 -0.095 0.000 0.970 407 R CB -0.594 29.721 30.300 0.025 0.000 0.864 407 R HN 0.437 nan 8.270 nan 0.000 0.440 408 A N 1.133 123.928 122.820 -0.042 0.000 1.969 408 A HA -0.160 4.157 4.320 -0.006 0.000 0.218 408 A C 2.191 179.748 177.584 -0.046 0.000 1.169 408 A CA 1.744 53.761 52.037 -0.034 0.000 0.635 408 A CB -0.420 18.572 19.000 -0.014 0.000 0.810 408 A HN 0.423 nan 8.150 nan 0.000 0.445 409 S N -1.399 114.264 115.700 -0.061 0.000 2.428 409 S HA 0.265 4.732 4.470 -0.006 0.000 0.230 409 S C 1.590 176.160 174.600 -0.049 0.000 1.014 409 S CA 1.289 59.465 58.200 -0.040 0.000 0.957 409 S CB -0.687 62.505 63.200 -0.013 0.000 0.784 409 S HN 1.968 nan 8.310 nan 0.000 0.499 410 G N 0.251 108.983 108.800 -0.113 0.000 2.160 410 G HA2 -0.377 3.580 3.960 -0.006 0.000 0.251 410 G HA3 -0.377 3.580 3.960 -0.006 0.000 0.251 410 G C 0.219 175.060 174.900 -0.098 0.000 1.008 410 G CA 0.475 45.512 45.100 -0.105 0.000 0.724 410 G HN 0.611 nan 8.290 nan 0.000 0.514 411 Y N 0.913 121.050 120.300 -0.271 0.000 2.114 411 Y HA -0.202 4.345 4.550 -0.006 0.000 0.282 411 Y C 2.811 178.640 175.900 -0.118 0.000 1.165 411 Y CA 2.856 60.848 58.100 -0.180 0.000 1.148 411 Y CB -0.204 38.151 38.460 -0.175 0.000 0.972 411 Y HN 0.331 nan 8.280 nan 0.000 0.504 412 R N 0.933 121.375 120.500 -0.098 0.000 2.083 412 R HA -0.171 4.166 4.340 -0.006 0.000 0.237 412 R C 2.261 178.505 176.300 -0.093 0.000 1.137 412 R CA 1.882 57.967 56.100 -0.025 0.000 0.951 412 R CB -1.266 29.073 30.300 0.065 0.000 0.851 412 R HN 0.430 nan 8.270 nan 0.000 0.434 413 A N 0.787 123.550 122.820 -0.095 0.000 1.933 413 A HA -0.161 4.156 4.320 -0.006 0.000 0.218 413 A C 2.264 179.787 177.584 -0.102 0.000 1.175 413 A CA 1.584 53.576 52.037 -0.075 0.000 0.628 413 A CB -0.655 18.309 19.000 -0.059 0.000 0.814 413 A HN 0.463 nan 8.150 nan 0.000 0.444 414 R N 0.337 120.745 120.500 -0.155 0.000 2.070 414 R HA -0.131 4.206 4.340 -0.006 0.000 0.233 414 R C 2.011 178.193 176.300 -0.197 0.000 1.137 414 R CA 2.422 58.420 56.100 -0.170 0.000 0.945 414 R CB -0.687 29.489 30.300 -0.206 0.000 0.845 414 R HN 0.495 nan 8.270 nan 0.000 0.430 415 V N -1.338 118.387 119.914 -0.315 0.000 2.759 415 V HA 0.051 4.168 4.120 -0.006 0.000 0.256 415 V C 2.354 178.382 176.094 -0.109 0.000 1.080 415 V CA 1.442 63.600 62.300 -0.238 0.000 1.101 415 V CB -0.906 30.726 31.823 -0.320 0.000 0.698 415 V HN 0.406 nan 8.190 nan 0.000 0.477 416 A N 0.808 123.575 122.820 -0.089 0.000 1.933 416 A HA 0.155 4.472 4.320 -0.006 0.000 0.218 416 A C 2.387 179.953 177.584 -0.029 0.000 1.175 416 A CA 1.982 53.998 52.037 -0.036 0.000 0.628 416 A CB -0.798 18.187 19.000 -0.024 0.000 0.814 416 A HN 0.932 nan 8.150 nan 0.000 0.444 417 A N -0.512 122.283 122.820 -0.043 0.000 2.123 417 A HA 0.047 4.364 4.320 -0.006 0.000 0.214 417 A C 1.753 179.322 177.584 -0.025 0.000 1.152 417 A CA 1.122 53.142 52.037 -0.029 0.000 0.728 417 A CB -0.222 18.758 19.000 -0.032 0.000 0.814 417 A HN 0.622 nan 8.150 nan 0.000 0.464 418 E N -0.413 119.766 120.200 -0.035 0.000 2.276 418 E HA 0.044 4.391 4.350 -0.006 0.000 0.193 418 E C 0.134 176.730 176.600 -0.006 0.000 0.983 418 E CA 0.101 56.487 56.400 -0.023 0.000 0.861 418 E CB 0.211 29.890 29.700 -0.034 0.000 0.817 418 E HN 0.440 nan 8.360 nan 0.000 0.485 419 R N 2.419 122.916 120.500 -0.005 0.000 2.338 419 R HA 0.283 4.620 4.340 -0.006 0.000 0.317 419 R C -2.428 173.882 176.300 0.017 0.000 0.968 419 R CA -1.901 54.207 56.100 0.013 0.000 0.849 419 R CB 0.955 31.268 30.300 0.020 0.000 1.128 419 R HN -0.032 nan 8.270 nan 0.000 0.448 420 P HA 0.144 nan 4.420 nan 0.000 0.280 420 P C -0.900 176.416 177.300 0.027 0.000 1.244 420 P CA -0.375 62.738 63.100 0.022 0.000 0.784 420 P CB 1.438 33.152 31.700 0.023 0.000 0.913 421 A N 3.478 126.313 122.820 0.026 0.000 2.388 421 A HA 0.415 4.732 4.320 -0.006 0.000 0.257 421 A C 0.806 178.406 177.584 0.027 0.000 1.095 421 A CA -0.346 51.708 52.037 0.030 0.000 0.791 421 A CB -0.237 18.782 19.000 0.031 0.000 1.029 421 A HN 0.651 nan 8.150 nan 0.000 0.489 422 S N 0.767 116.483 115.700 0.027 0.000 2.560 422 S HA 0.245 4.711 4.470 -0.006 0.000 0.284 422 S C 0.630 175.243 174.600 0.020 0.000 1.327 422 S CA 0.062 58.275 58.200 0.023 0.000 1.055 422 S CB 0.833 64.045 63.200 0.019 0.000 0.868 422 S HN 1.802 nan 8.310 nan 0.000 0.506 423 V N -1.418 118.508 119.914 0.018 0.000 3.380 423 V HA 0.761 4.877 4.120 -0.006 0.000 0.307 423 V C 0.354 176.456 176.094 0.014 0.000 1.434 423 V CA 0.219 62.529 62.300 0.017 0.000 1.075 423 V CB -1.149 30.684 31.823 0.017 0.000 0.954 423 V HN 1.249 nan 8.190 nan 0.000 0.444 424 A N 0.000 122.827 122.820 0.012 0.000 2.254 424 A HA 0.000 4.317 4.320 -0.006 0.000 0.244 424 A CA 0.000 52.043 52.037 0.010 0.000 0.836 424 A CB 0.000 19.007 19.000 0.011 0.000 0.831 424 A HN 0.000 nan 8.150 nan 0.000 0.486