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 3m0h_1_B 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 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 0.000 175.825 175.800 0.042 0.000 0.967 4 F CA 0.000 58.011 58.000 0.019 0.000 1.383 4 F CB 0.000 39.007 39.000 0.011 0.000 1.145 5 R N 1.094 121.702 120.500 0.179 0.000 2.096 5 R HA 0.094 4.429 4.340 -0.009 0.000 0.235 5 R C 0.383 176.807 176.300 0.207 0.000 1.127 5 R CA 1.122 57.333 56.100 0.184 0.000 0.968 5 R CB 0.039 30.381 30.300 0.070 0.000 0.861 5 R HN 0.325 nan 8.270 nan 0.000 0.440 6 I N 0.949 121.616 120.570 0.161 0.000 2.378 6 I HA 0.269 4.434 4.170 -0.009 0.000 0.291 6 I C 0.179 176.361 176.117 0.108 0.000 0.992 6 I CA -1.767 59.607 61.300 0.123 0.000 1.154 6 I CB 1.099 39.140 38.000 0.069 0.000 1.315 6 I HN -0.076 nan 8.210 nan 0.000 0.448 7 A N 6.094 128.948 122.820 0.058 0.000 2.546 7 A HA 0.047 4.362 4.320 -0.009 0.000 0.243 7 A C 1.272 178.799 177.584 -0.095 0.000 1.063 7 A CA 0.126 52.151 52.037 -0.020 0.000 0.757 7 A CB 0.126 19.116 19.000 -0.017 0.000 0.991 7 A HN 0.829 nan 8.150 nan 0.000 0.503 8 Q N 1.088 120.741 119.800 -0.246 0.000 2.124 8 Q HA -0.208 4.127 4.340 -0.009 0.000 0.202 8 Q C 1.334 177.244 176.000 -0.150 0.000 0.977 8 Q CA 1.596 57.236 55.803 -0.272 0.000 0.850 8 Q CB -0.133 28.320 28.738 -0.476 0.000 0.901 8 Q HN 1.006 nan 8.270 nan 0.000 0.429 9 D N 0.168 120.495 120.400 -0.123 0.000 2.219 9 D HA -0.121 4.514 4.640 -0.009 0.000 0.205 9 D C 1.783 178.050 176.300 -0.054 0.000 0.970 9 D CA 0.914 54.866 54.000 -0.079 0.000 0.851 9 D CB -0.227 40.533 40.800 -0.065 0.000 0.943 9 D HN 0.111 nan 8.370 nan 0.000 0.488 10 V N 0.786 120.672 119.914 -0.046 0.000 2.379 10 V HA -0.178 3.937 4.120 -0.009 0.000 0.245 10 V C 2.937 179.017 176.094 -0.022 0.000 1.044 10 V CA 1.007 63.291 62.300 -0.026 0.000 1.036 10 V CB -0.190 31.625 31.823 -0.014 0.000 0.664 10 V HN 0.097 nan 8.190 nan 0.000 0.453 11 V N 0.520 120.418 119.914 -0.027 0.000 2.295 11 V HA -0.259 3.856 4.120 -0.009 0.000 0.246 11 V C 2.737 178.817 176.094 -0.025 0.000 1.049 11 V CA 2.088 64.378 62.300 -0.018 0.000 1.024 11 V CB -1.180 30.632 31.823 -0.017 0.000 0.648 11 V HN 0.548 nan 8.190 nan 0.000 0.447 12 A N 0.032 122.828 122.820 -0.040 0.000 1.877 12 A HA -0.274 4.041 4.320 -0.009 0.000 0.216 12 A C 2.422 179.989 177.584 -0.029 0.000 1.186 12 A CA 2.187 54.201 52.037 -0.038 0.000 0.620 12 A CB -0.604 18.367 19.000 -0.049 0.000 0.822 12 A HN 0.488 nan 8.150 nan 0.000 0.443 13 R N -0.516 119.967 120.500 -0.028 0.000 2.081 13 R HA -0.141 4.194 4.340 -0.009 0.000 0.235 13 R C 1.595 177.885 176.300 -0.016 0.000 1.131 13 R CA 1.638 57.725 56.100 -0.022 0.000 0.960 13 R CB -0.174 30.113 30.300 -0.021 0.000 0.856 13 R HN 0.422 nan 8.270 nan 0.000 0.436 14 E N 0.046 120.238 120.200 -0.013 0.000 2.427 14 E HA -0.087 4.258 4.350 -0.009 0.000 0.196 14 E C 1.155 177.750 176.600 -0.008 0.000 1.028 14 E CA 0.693 57.089 56.400 -0.007 0.000 0.864 14 E CB -0.129 29.571 29.700 -0.000 0.000 0.813 14 E HN 0.535 nan 8.360 nan 0.000 0.514 15 N N 0.540 119.232 118.700 -0.013 0.000 2.220 15 N HA -0.090 4.644 4.740 -0.009 0.000 0.182 15 N C 1.152 176.652 175.510 -0.018 0.000 1.023 15 N CA 0.492 53.533 53.050 -0.015 0.000 0.856 15 N CB 0.210 38.685 38.487 -0.020 0.000 0.997 15 N HN -0.005 nan 8.380 nan 0.000 0.429 16 D N 1.303 121.692 120.400 -0.019 0.000 2.123 16 D HA -0.173 4.462 4.640 -0.009 0.000 0.196 16 D C 1.782 178.073 176.300 -0.015 0.000 0.992 16 D CA 1.062 55.051 54.000 -0.018 0.000 0.833 16 D CB -0.188 40.601 40.800 -0.019 0.000 0.954 16 D HN 0.445 nan 8.370 nan 0.000 0.455 17 R N 0.360 120.853 120.500 -0.012 0.000 2.339 17 R HA 0.102 4.437 4.340 -0.009 0.000 0.199 17 R C 1.325 177.620 176.300 -0.008 0.000 1.018 17 R CA 0.706 56.800 56.100 -0.010 0.000 1.036 17 R CB 0.068 30.363 30.300 -0.008 0.000 0.899 17 R HN 0.068 nan 8.270 nan 0.000 0.473 18 R N -0.500 119.995 120.500 -0.009 0.000 2.509 18 R HA 0.297 4.631 4.340 -0.009 0.000 0.297 18 R C 1.445 177.739 176.300 -0.010 0.000 0.951 18 R CA 0.419 56.515 56.100 -0.008 0.000 1.103 18 R CB 0.879 31.176 30.300 -0.006 0.000 1.283 18 R HN 0.206 nan 8.270 nan 0.000 0.534 19 A N 0.833 123.644 122.820 -0.014 0.000 1.898 19 A HA -0.158 4.157 4.320 -0.009 0.000 0.216 19 A C 2.101 179.677 177.584 -0.013 0.000 1.181 19 A CA 1.879 53.904 52.037 -0.019 0.000 0.620 19 A CB -0.394 18.593 19.000 -0.023 0.000 0.819 19 A HN 0.227 nan 8.150 nan 0.000 0.442 20 S N -0.381 115.313 115.700 -0.009 0.000 2.356 20 S HA -0.071 4.394 4.470 -0.009 0.000 0.223 20 S C 2.197 176.797 174.600 0.001 0.000 1.032 20 S CA 1.669 59.866 58.200 -0.005 0.000 1.005 20 S CB -0.475 62.722 63.200 -0.005 0.000 0.867 20 S HN 0.810 nan 8.310 nan 0.000 0.449 21 A N 1.227 124.047 122.820 0.000 0.000 1.898 21 A HA 0.016 4.331 4.320 -0.009 0.000 0.216 21 A C 2.143 179.734 177.584 0.013 0.000 1.181 21 A CA 1.609 53.649 52.037 0.004 0.000 0.620 21 A CB -0.865 18.134 19.000 -0.000 0.000 0.819 21 A HN 0.569 nan 8.150 nan 0.000 0.442 22 L N 0.237 121.466 121.223 0.011 0.000 2.046 22 L HA -0.138 4.197 4.340 -0.009 0.000 0.208 22 L C 2.278 179.178 176.870 0.050 0.000 1.077 22 L CA 2.687 57.542 54.840 0.025 0.000 0.747 22 L CB -0.612 41.447 42.059 -0.000 0.000 0.896 22 L HN 0.491 nan 8.230 nan 0.000 0.432 23 K N -0.791 119.624 120.400 0.026 0.000 2.032 23 K HA -0.211 4.104 4.320 -0.009 0.000 0.209 23 K C 1.911 178.552 176.600 0.068 0.000 1.048 23 K CA 1.693 58.004 56.287 0.040 0.000 0.927 23 K CB -0.120 32.388 32.500 0.013 0.000 0.712 23 K HN 0.333 nan 8.250 nan 0.000 0.441 24 E N 1.244 121.468 120.200 0.040 0.000 2.051 24 E HA -0.183 4.162 4.350 -0.009 0.000 0.192 24 E C 1.842 178.463 176.600 0.034 0.000 0.991 24 E CA 1.258 57.676 56.400 0.030 0.000 0.799 24 E CB -0.319 29.388 29.700 0.013 0.000 0.748 24 E HN 0.454 nan 8.360 nan 0.000 0.449 25 D N -0.309 120.116 120.400 0.041 0.000 2.149 25 D HA -0.137 4.498 4.640 -0.009 0.000 0.201 25 D C 1.923 178.251 176.300 0.047 0.000 0.972 25 D CA 0.676 54.693 54.000 0.029 0.000 0.835 25 D CB -0.359 40.456 40.800 0.024 0.000 0.966 25 D HN 0.215 nan 8.370 nan 0.000 0.476 26 Y N 1.942 122.225 120.300 -0.028 0.000 2.200 26 Y HA -0.128 4.417 4.550 -0.009 0.000 0.290 26 Y C 2.103 177.987 175.900 -0.026 0.000 1.137 26 Y CA 1.490 59.573 58.100 -0.028 0.000 1.163 26 Y CB 0.146 38.591 38.460 -0.024 0.000 0.988 26 Y HN -0.052 nan 8.280 nan 0.000 0.518 27 E N -0.288 119.983 120.200 0.118 0.000 2.106 27 E HA -0.171 4.174 4.350 -0.009 0.000 0.192 27 E C 2.318 178.894 176.600 -0.040 0.000 0.984 27 E CA 0.837 57.261 56.400 0.041 0.000 0.806 27 E CB -0.256 29.481 29.700 0.062 0.000 0.750 27 E HN 0.551 nan 8.360 nan 0.000 0.458 28 A N 1.397 124.194 122.820 -0.037 0.000 1.898 28 A HA -0.138 4.177 4.320 -0.009 0.000 0.216 28 A C 2.170 179.698 177.584 -0.093 0.000 1.181 28 A CA 0.893 52.898 52.037 -0.054 0.000 0.620 28 A CB -0.469 18.508 19.000 -0.039 0.000 0.819 28 A HN 0.216 nan 8.150 nan 0.000 0.442 29 L N 0.277 121.420 121.223 -0.133 0.000 2.093 29 L HA 0.011 4.346 4.340 -0.009 0.000 0.208 29 L C 2.318 179.060 176.870 -0.215 0.000 1.085 29 L CA 2.155 56.890 54.840 -0.175 0.000 0.755 29 L CB -1.066 40.865 42.059 -0.214 0.000 0.904 29 L HN 0.295 nan 8.230 nan 0.000 0.435 30 G N -1.011 107.625 108.800 -0.273 0.000 2.418 30 G HA2 -0.248 3.707 3.960 -0.009 0.000 0.217 30 G HA3 -0.248 3.707 3.960 -0.009 0.000 0.217 30 G C 1.579 176.399 174.900 -0.133 0.000 1.158 30 G CA 0.786 45.739 45.100 -0.244 0.000 0.771 30 G HN 0.618 nan 8.290 nan 0.000 0.545 31 A N 0.982 123.743 122.820 -0.099 0.000 1.897 31 A HA -0.072 4.243 4.320 -0.009 0.000 0.215 31 A C 2.206 179.751 177.584 -0.066 0.000 1.181 31 A CA 1.784 53.782 52.037 -0.065 0.000 0.620 31 A CB -0.567 18.404 19.000 -0.049 0.000 0.821 31 A HN 0.438 nan 8.150 nan 0.000 0.443 32 N N 0.464 119.118 118.700 -0.077 0.000 2.084 32 N HA -0.125 4.609 4.740 -0.009 0.000 0.190 32 N C 1.752 177.219 175.510 -0.071 0.000 1.030 32 N CA 1.636 54.644 53.050 -0.070 0.000 0.849 32 N CB -0.258 38.182 38.487 -0.078 0.000 1.012 32 N HN 0.497 nan 8.380 nan 0.000 0.423 33 L N 0.740 121.909 121.223 -0.090 0.000 2.093 33 L HA -0.078 4.257 4.340 -0.009 0.000 0.208 33 L C 2.724 179.556 176.870 -0.064 0.000 1.085 33 L CA 1.047 55.837 54.840 -0.083 0.000 0.755 33 L CB -0.520 41.474 42.059 -0.109 0.000 0.904 33 L HN 0.185 nan 8.230 nan 0.000 0.435 34 A N 0.254 123.036 122.820 -0.064 0.000 1.902 34 A HA -0.203 4.112 4.320 -0.009 0.000 0.217 34 A C 2.345 179.907 177.584 -0.036 0.000 1.181 34 A CA 1.393 53.402 52.037 -0.046 0.000 0.623 34 A CB -0.455 18.519 19.000 -0.043 0.000 0.818 34 A HN 0.331 nan 8.150 nan 0.000 0.443 35 R N -0.887 119.590 120.500 -0.037 0.000 2.237 35 R HA -0.014 4.321 4.340 -0.009 0.000 0.219 35 R C 1.511 177.796 176.300 -0.026 0.000 1.080 35 R CA 1.106 57.188 56.100 -0.029 0.000 0.995 35 R CB -0.130 30.152 30.300 -0.030 0.000 0.875 35 R HN 0.447 nan 8.270 nan 0.000 0.462 36 R N -0.553 119.929 120.500 -0.030 0.000 2.359 36 R HA 0.126 4.461 4.340 -0.009 0.000 0.231 36 R C 0.705 176.993 176.300 -0.021 0.000 0.913 36 R CA 0.453 56.539 56.100 -0.024 0.000 1.075 36 R CB 0.886 31.169 30.300 -0.029 0.000 1.087 36 R HN 0.279 nan 8.270 nan 0.000 0.515 37 G N 0.706 109.491 108.800 -0.024 0.000 2.147 37 G HA2 -0.243 3.711 3.960 -0.009 0.000 0.244 37 G HA3 -0.243 3.711 3.960 -0.009 0.000 0.244 37 G C -0.070 174.815 174.900 -0.025 0.000 1.005 37 G CA 0.100 45.188 45.100 -0.021 0.000 0.713 37 G HN 0.155 nan 8.290 nan 0.000 0.515 38 V N 0.452 120.346 119.914 -0.033 0.000 2.555 38 V HA 0.545 4.660 4.120 -0.009 0.000 0.302 38 V C -0.304 175.763 176.094 -0.046 0.000 1.038 38 V CA -0.864 61.413 62.300 -0.039 0.000 0.887 38 V CB 1.990 33.784 31.823 -0.048 0.000 0.991 38 V HN 0.301 nan 8.190 nan 0.000 0.434 39 D N 3.420 123.797 120.400 -0.038 0.000 2.380 39 D HA 0.196 4.831 4.640 -0.009 0.000 0.230 39 D C 0.953 177.227 176.300 -0.044 0.000 1.154 39 D CA -0.132 53.848 54.000 -0.034 0.000 0.859 39 D CB 1.232 42.023 40.800 -0.015 0.000 1.045 39 D HN 0.542 nan 8.370 nan 0.000 0.495 40 I N 3.476 124.001 120.570 -0.075 0.000 2.335 40 I HA -0.239 3.926 4.170 -0.009 0.000 0.251 40 I C 1.563 177.672 176.117 -0.013 0.000 1.129 40 I CA 1.174 62.408 61.300 -0.109 0.000 1.402 40 I CB 0.360 38.194 38.000 -0.277 0.000 1.069 40 I HN 0.376 nan 8.210 nan 0.000 0.424 41 E N 0.957 121.178 120.200 0.036 0.000 2.110 41 E HA -0.202 4.143 4.350 -0.009 0.000 0.193 41 E C 2.224 178.854 176.600 0.049 0.000 0.988 41 E CA 1.299 57.751 56.400 0.086 0.000 0.804 41 E CB -0.330 29.415 29.700 0.076 0.000 0.745 41 E HN 0.652 nan 8.360 nan 0.000 0.458 42 A N 0.958 123.790 122.820 0.020 0.000 1.933 42 A HA -0.117 4.198 4.320 -0.009 0.000 0.218 42 A C 2.576 180.161 177.584 0.001 0.000 1.175 42 A CA 1.281 53.325 52.037 0.011 0.000 0.628 42 A CB -0.475 18.524 19.000 -0.001 0.000 0.814 42 A HN 0.135 nan 8.150 nan 0.000 0.444 43 V N -0.521 119.382 119.914 -0.017 0.000 2.379 43 V HA -0.183 3.932 4.120 -0.009 0.000 0.245 43 V C 2.668 178.756 176.094 -0.009 0.000 1.044 43 V CA 2.324 64.597 62.300 -0.046 0.000 1.036 43 V CB -1.323 30.454 31.823 -0.076 0.000 0.664 43 V HN 0.565 nan 8.190 nan 0.000 0.453 44 T N 0.691 115.267 114.554 0.037 0.000 2.788 44 T HA -0.161 4.184 4.350 -0.009 0.000 0.268 44 T C 2.075 176.809 174.700 0.056 0.000 1.044 44 T CA 1.602 63.745 62.100 0.071 0.000 1.139 44 T CB -0.408 68.542 68.868 0.137 0.000 0.867 44 T HN 0.566 nan 8.240 nan 0.000 0.454 45 A N 1.708 124.558 122.820 0.050 0.000 1.933 45 A HA -0.114 4.201 4.320 -0.009 0.000 0.218 45 A C 2.332 179.951 177.584 0.059 0.000 1.175 45 A CA 1.209 53.275 52.037 0.049 0.000 0.628 45 A CB -0.241 18.785 19.000 0.044 0.000 0.814 45 A HN 0.232 nan 8.150 nan 0.000 0.444 46 K N -0.362 120.079 120.400 0.069 0.000 2.062 46 K HA 0.012 4.327 4.320 -0.009 0.000 0.205 46 K C 2.015 178.746 176.600 0.218 0.000 1.051 46 K CA 1.165 57.534 56.287 0.137 0.000 0.941 46 K CB -0.840 31.725 32.500 0.108 0.000 0.719 46 K HN 0.334 nan 8.250 nan 0.000 0.440 47 V N 2.731 122.738 119.914 0.155 0.000 2.332 47 V HA -0.261 3.854 4.120 -0.009 0.000 0.248 47 V C 2.380 178.512 176.094 0.064 0.000 1.055 47 V CA 2.297 64.695 62.300 0.165 0.000 1.038 47 V CB -0.721 31.139 31.823 0.063 0.000 0.651 47 V HN 0.511 nan 8.190 nan 0.000 0.450 48 E N -0.086 120.131 120.200 0.029 0.000 2.333 48 E HA -0.202 4.143 4.350 -0.009 0.000 0.198 48 E C 1.568 178.078 176.600 -0.150 0.000 1.007 48 E CA 0.885 57.283 56.400 -0.003 0.000 0.845 48 E CB -0.131 29.593 29.700 0.040 0.000 0.766 48 E HN 0.372 nan 8.360 nan 0.000 0.507 49 K N 0.318 120.584 120.400 -0.224 0.000 2.387 49 K HA 0.144 4.459 4.320 -0.009 0.000 0.198 49 K C -0.596 175.443 176.600 -0.935 0.000 1.022 49 K CA -0.218 55.759 56.287 -0.518 0.000 1.128 49 K CB -0.007 32.403 32.500 -0.149 0.000 0.853 49 K HN 0.138 nan 8.250 nan 0.000 0.523 50 F N 1.481 120.933 119.950 -0.829 0.000 2.404 50 F HA 0.323 4.844 4.527 -0.009 0.000 0.358 50 F C -0.664 174.689 175.800 -0.744 0.000 1.120 50 F CA -0.998 56.547 58.000 -0.760 0.000 1.144 50 F CB 0.291 38.875 39.000 -0.695 0.000 1.133 50 F HN -0.215 nan 8.300 nan 0.000 0.495 51 F N 5.135 124.637 119.950 -0.746 0.000 2.546 51 F HA 0.694 5.216 4.527 -0.009 0.000 0.320 51 F C -0.577 174.914 175.800 -0.514 0.000 1.076 51 F CA -1.408 56.330 58.000 -0.436 0.000 0.928 51 F CB 1.660 40.517 39.000 -0.238 0.000 1.189 51 F HN 0.210 nan 8.300 nan 0.000 0.465 52 V N 1.841 121.754 119.914 -0.001 0.000 2.760 52 V HA 0.853 4.968 4.120 -0.009 0.000 0.309 52 V C -0.788 175.343 176.094 0.062 0.000 1.077 52 V CA -0.798 61.542 62.300 0.067 0.000 0.910 52 V CB 1.588 33.507 31.823 0.160 0.000 1.008 52 V HN 1.044 nan 8.190 nan 0.000 0.424 53 A N 5.650 128.508 122.820 0.063 0.000 2.425 53 A HA 0.647 4.962 4.320 -0.009 0.000 0.249 53 A C -0.047 177.508 177.584 -0.049 0.000 1.084 53 A CA 0.164 52.199 52.037 -0.003 0.000 0.781 53 A CB 0.706 19.712 19.000 0.011 0.000 1.019 53 A HN 1.826 nan 8.150 nan 0.000 0.490 54 V N 0.841 120.692 119.914 -0.104 0.000 2.481 54 V HA 0.635 4.750 4.120 -0.009 0.000 0.286 54 V C -2.480 173.437 176.094 -0.295 0.000 1.042 54 V CA -2.346 59.851 62.300 -0.172 0.000 0.928 54 V CB 1.263 33.000 31.823 -0.143 0.000 0.986 54 V HN 0.776 nan 8.190 nan 0.000 0.462 55 P HA 0.196 nan 4.420 nan 0.000 0.281 55 P C 0.861 177.748 177.300 -0.688 0.000 1.252 55 P CA -0.028 62.419 63.100 -1.088 0.000 0.778 55 P CB 1.743 32.282 31.700 -1.935 0.000 0.895 56 S N 2.773 118.267 115.700 -0.344 0.000 2.399 56 S HA -0.178 4.287 4.470 -0.009 0.000 0.231 56 S C 1.450 176.121 174.600 0.119 0.000 1.022 56 S CA 0.719 58.937 58.200 0.030 0.000 0.983 56 S CB -1.371 61.991 63.200 0.270 0.000 0.803 56 S HN 0.704 nan 8.310 nan 0.000 0.480 57 W N 1.593 122.995 121.300 0.169 0.000 3.077 57 W HA 0.593 5.248 4.660 -0.008 0.000 0.245 57 W C 1.633 178.154 176.519 0.003 0.000 1.316 57 W CA -0.287 57.130 57.345 0.120 0.000 1.537 57 W CB -0.624 28.993 29.460 0.262 0.000 1.131 57 W HN 0.197 nan 8.180 nan 0.000 0.695 58 G N 1.146 109.784 108.800 -0.269 0.000 2.744 58 G HA2 -0.032 3.923 3.960 -0.009 0.000 0.211 58 G HA3 -0.032 3.923 3.960 -0.009 0.000 0.211 58 G C 1.187 176.148 174.900 0.101 0.000 1.146 58 G CA 0.807 45.836 45.100 -0.119 0.000 0.787 58 G HN 0.363 nan 8.290 nan 0.000 0.534 59 V N -1.304 118.631 119.914 0.035 0.000 3.306 59 V HA 0.395 4.510 4.120 -0.009 0.000 0.264 59 V C 1.287 177.444 176.094 0.104 0.000 1.149 59 V CA 0.287 62.615 62.300 0.047 0.000 1.143 59 V CB -0.586 31.255 31.823 0.031 0.000 0.767 59 V HN 0.201 nan 8.190 nan 0.000 0.476 60 G N 0.007 108.889 108.800 0.136 0.000 2.462 60 G HA2 0.495 4.450 3.960 -0.009 0.000 0.319 60 G HA3 0.495 4.450 3.960 -0.009 0.000 0.319 60 G C -0.383 174.627 174.900 0.183 0.000 1.171 60 G CA -0.363 44.819 45.100 0.137 0.000 0.920 60 G HN 0.182 nan 8.290 nan 0.000 0.499 61 T N 0.518 115.168 114.554 0.160 0.000 2.870 61 T HA 0.471 4.815 4.350 -0.009 0.000 0.300 61 T C 0.977 175.788 174.700 0.183 0.000 0.989 61 T CA 0.439 62.650 62.100 0.185 0.000 1.139 61 T CB 1.157 70.118 68.868 0.156 0.000 0.920 61 T HN 0.708 nan 8.240 nan 0.000 0.537 62 G N 1.065 110.004 108.800 0.232 0.000 2.537 62 G HA2 0.731 4.686 3.960 -0.009 0.000 0.297 62 G HA3 0.731 4.686 3.960 -0.009 0.000 0.297 62 G C -0.068 174.879 174.900 0.079 0.000 1.310 62 G CA -0.387 44.827 45.100 0.190 0.000 1.027 62 G HN 0.983 nan 8.290 nan 0.000 0.505 63 G N -2.033 106.745 108.800 -0.037 0.000 2.645 63 G HA2 0.688 4.643 3.960 -0.009 0.000 0.292 63 G HA3 0.688 4.643 3.960 -0.009 0.000 0.292 63 G C -0.468 174.394 174.900 -0.065 0.000 1.415 63 G CA 0.363 45.449 45.100 -0.024 0.000 0.785 63 G HN 1.120 nan 8.290 nan 0.000 0.483 64 T N -2.895 111.656 114.554 -0.004 0.000 2.919 64 T HA 0.452 4.797 4.350 -0.009 0.000 0.282 64 T C 1.468 176.138 174.700 -0.048 0.000 1.020 64 T CA -0.179 61.928 62.100 0.011 0.000 0.994 64 T CB 1.686 70.648 68.868 0.157 0.000 1.180 64 T HN 0.812 nan 8.240 nan 0.000 0.566 65 R N -0.593 119.834 120.500 -0.121 0.000 2.285 65 R HA 0.072 4.407 4.340 -0.009 0.000 0.213 65 R C 1.151 177.249 176.300 -0.337 0.000 1.068 65 R CA 1.144 57.091 56.100 -0.256 0.000 1.004 65 R CB -0.722 29.365 30.300 -0.355 0.000 0.873 65 R HN 0.513 nan 8.270 nan 0.000 0.467 66 F N 0.927 120.867 119.950 -0.018 0.000 2.387 66 F HA 0.367 4.889 4.527 -0.008 0.000 0.294 66 F C 1.119 176.878 175.800 -0.068 0.000 1.093 66 F CA 0.656 58.645 58.000 -0.019 0.000 1.420 66 F CB 0.358 39.368 39.000 0.016 0.000 1.086 66 F HN 0.230 nan 8.300 nan 0.000 0.531 67 A N -0.434 122.410 122.820 0.041 0.000 2.549 67 A HA 0.614 4.929 4.320 -0.009 0.000 0.291 67 A C -1.228 176.172 177.584 -0.307 0.000 1.034 67 A CA -0.874 51.034 52.037 -0.215 0.000 0.655 67 A CB 0.914 19.675 19.000 -0.399 0.000 1.299 67 A HN 0.051 nan 8.150 nan 0.000 0.427 68 R N 0.283 120.499 120.500 -0.473 0.000 2.575 68 R HA 0.707 5.042 4.340 -0.009 0.000 0.293 68 R C -2.106 173.916 176.300 -0.463 0.000 0.983 68 R CA -0.497 55.420 56.100 -0.306 0.000 0.887 68 R CB 0.880 31.090 30.300 -0.150 0.000 1.184 68 R HN 0.582 nan 8.270 nan 0.000 0.445 69 F N 5.757 125.736 119.950 0.048 0.000 2.366 69 F HA 0.343 4.865 4.527 -0.008 0.000 0.357 69 F C -1.634 174.198 175.800 0.053 0.000 1.107 69 F CA -2.005 56.024 58.000 0.048 0.000 1.208 69 F CB 1.127 40.157 39.000 0.050 0.000 1.464 69 F HN 0.313 nan 8.300 nan 0.000 0.501 70 P HA 0.179 nan 4.420 nan 0.000 0.269 70 P C 0.329 177.708 177.300 0.132 0.000 1.209 70 P CA 0.093 63.268 63.100 0.125 0.000 0.776 70 P CB 1.423 33.169 31.700 0.077 0.000 0.876 71 G N 1.147 110.018 108.800 0.118 0.000 2.583 71 G HA2 0.533 4.488 3.960 -0.009 0.000 0.280 71 G HA3 0.533 4.488 3.960 -0.009 0.000 0.280 71 G C -0.260 174.691 174.900 0.085 0.000 1.376 71 G CA -0.384 44.779 45.100 0.104 0.000 1.043 71 G HN 0.671 nan 8.290 nan 0.000 0.538 72 T N -3.597 111.002 114.554 0.075 0.000 2.899 72 T HA 0.456 4.801 4.350 -0.009 0.000 0.284 72 T C 1.225 175.960 174.700 0.058 0.000 1.004 72 T CA 0.718 62.853 62.100 0.057 0.000 1.043 72 T CB 1.076 69.969 68.868 0.042 0.000 1.013 72 T HN 2.167 nan 8.240 nan 0.000 0.518 73 G N 1.178 110.002 108.800 0.039 0.000 2.305 73 G HA2 -0.204 3.751 3.960 -0.009 0.000 0.287 73 G HA3 -0.204 3.751 3.960 -0.009 0.000 0.287 73 G C -0.047 174.889 174.900 0.061 0.000 1.036 73 G CA -0.100 45.019 45.100 0.032 0.000 0.887 73 G HN 0.887 nan 8.290 nan 0.000 0.505 74 E N 0.972 121.212 120.200 0.065 0.000 2.417 74 E HA 0.147 4.492 4.350 -0.009 0.000 0.261 74 E C -1.728 174.917 176.600 0.075 0.000 1.000 74 E CA -1.199 55.246 56.400 0.076 0.000 0.919 74 E CB 0.826 30.566 29.700 0.066 0.000 0.955 74 E HN 0.369 nan 8.360 nan 0.000 0.455 75 P HA 0.110 nan 4.420 nan 0.000 0.276 75 P C -0.468 176.880 177.300 0.081 0.000 1.235 75 P CA -0.218 62.939 63.100 0.096 0.000 0.772 75 P CB 0.654 32.422 31.700 0.115 0.000 0.871 76 R N 2.526 123.075 120.500 0.081 0.000 2.337 76 R HA 0.635 4.970 4.340 -0.009 0.000 0.319 76 R C 0.688 177.038 176.300 0.082 0.000 0.954 76 R CA -0.336 55.805 56.100 0.068 0.000 0.840 76 R CB 0.739 31.076 30.300 0.062 0.000 1.164 76 R HN 0.894 nan 8.270 nan 0.000 0.472 77 G N 1.727 110.567 108.800 0.066 0.000 2.712 77 G HA2 -0.258 3.697 3.960 -0.009 0.000 0.686 77 G HA3 -0.258 3.697 3.960 -0.009 0.000 0.686 77 G C 0.480 175.404 174.900 0.039 0.000 1.321 77 G CA -0.327 44.803 45.100 0.050 0.000 0.813 77 G HN 0.496 nan 8.290 nan 0.000 0.599 78 I N 0.489 121.025 120.570 -0.056 0.000 2.335 78 I HA 0.029 4.194 4.170 -0.009 0.000 0.251 78 I C 2.418 178.519 176.117 -0.027 0.000 1.129 78 I CA 1.750 63.009 61.300 -0.068 0.000 1.402 78 I CB -0.479 37.418 38.000 -0.172 0.000 1.069 78 I HN 0.518 nan 8.210 nan 0.000 0.424 79 F N 0.799 120.817 119.950 0.113 0.000 2.113 79 F HA -0.172 4.350 4.527 -0.008 0.000 0.297 79 F C 2.404 178.263 175.800 0.098 0.000 1.103 79 F CA 1.460 59.521 58.000 0.101 0.000 1.248 79 F CB -1.245 37.804 39.000 0.082 0.000 0.999 79 F HN 0.121 nan 8.300 nan 0.000 0.475 80 D N 0.227 120.788 120.400 0.267 0.000 2.144 80 D HA -0.126 4.509 4.640 -0.009 0.000 0.200 80 D C 2.136 178.539 176.300 0.172 0.000 0.978 80 D CA 1.099 55.214 54.000 0.193 0.000 0.833 80 D CB -0.286 40.603 40.800 0.149 0.000 0.961 80 D HN 0.262 nan 8.370 nan 0.000 0.470 81 K N 0.234 120.725 120.400 0.151 0.000 2.057 81 K HA -0.036 4.279 4.320 -0.009 0.000 0.207 81 K C 2.311 178.985 176.600 0.123 0.000 1.049 81 K CA 0.543 56.907 56.287 0.129 0.000 0.931 81 K CB -0.092 32.482 32.500 0.123 0.000 0.714 81 K HN 0.130 nan 8.250 nan 0.000 0.440 82 L N 1.092 122.406 121.223 0.150 0.000 2.083 82 L HA -0.214 4.121 4.340 -0.009 0.000 0.209 82 L C 1.856 178.792 176.870 0.110 0.000 1.083 82 L CA 1.033 55.954 54.840 0.135 0.000 0.752 82 L CB -0.439 41.739 42.059 0.198 0.000 0.899 82 L HN 0.184 nan 8.230 nan 0.000 0.433 83 D N 0.102 120.592 120.400 0.151 0.000 2.149 83 D HA -0.187 4.448 4.640 -0.009 0.000 0.198 83 D C 1.751 178.142 176.300 0.152 0.000 0.990 83 D CA 1.282 55.375 54.000 0.155 0.000 0.839 83 D CB -0.138 40.780 40.800 0.196 0.000 0.948 83 D HN 0.312 nan 8.370 nan 0.000 0.460 84 D N -0.536 119.959 120.400 0.159 0.000 2.149 84 D HA -0.057 4.578 4.640 -0.009 0.000 0.201 84 D C 2.170 178.464 176.300 -0.009 0.000 0.972 84 D CA 0.361 54.432 54.000 0.119 0.000 0.835 84 D CB -0.525 40.371 40.800 0.161 0.000 0.966 84 D HN 0.203 nan 8.370 nan 0.000 0.476 85 C N 1.120 120.417 119.300 -0.004 0.000 2.422 85 C HA -0.029 4.426 4.460 -0.009 0.000 0.279 85 C C 2.846 177.789 174.990 -0.078 0.000 1.305 85 C CA 0.715 59.701 59.018 -0.055 0.000 1.757 85 C CB -0.985 26.728 27.740 -0.046 0.000 1.962 85 C HN 0.355 nan 8.230 nan 0.000 0.499 86 A N 0.144 122.930 122.820 -0.057 0.000 1.972 86 A HA -0.097 4.218 4.320 -0.009 0.000 0.219 86 A C 2.249 179.775 177.584 -0.097 0.000 1.169 86 A CA 1.981 53.974 52.037 -0.075 0.000 0.635 86 A CB -0.574 18.399 19.000 -0.045 0.000 0.810 86 A HN 0.391 nan 8.150 nan 0.000 0.446 87 V N 0.194 120.023 119.914 -0.141 0.000 2.358 87 V HA -0.260 3.855 4.120 -0.009 0.000 0.246 87 V C 2.394 178.403 176.094 -0.143 0.000 1.047 87 V CA 1.995 64.177 62.300 -0.197 0.000 1.035 87 V CB -0.661 30.918 31.823 -0.407 0.000 0.658 87 V HN 0.594 nan 8.190 nan 0.000 0.452 88 I N 0.026 120.507 120.570 -0.148 0.000 2.226 88 I HA -0.285 3.880 4.170 -0.009 0.000 0.245 88 I C 2.632 178.695 176.117 -0.090 0.000 1.100 88 I CA 1.797 63.017 61.300 -0.133 0.000 1.374 88 I CB -0.414 37.503 38.000 -0.140 0.000 1.057 88 I HN 0.352 nan 8.210 nan 0.000 0.413 89 Q N 1.192 120.939 119.800 -0.089 0.000 2.079 89 Q HA -0.252 4.083 4.340 -0.009 0.000 0.200 89 Q C 2.135 178.105 176.000 -0.049 0.000 0.974 89 Q CA 1.740 57.498 55.803 -0.075 0.000 0.840 89 Q CB -0.376 28.298 28.738 -0.108 0.000 0.898 89 Q HN 0.486 nan 8.270 nan 0.000 0.430 90 Q N -0.591 119.182 119.800 -0.046 0.000 2.084 90 Q HA -0.129 4.206 4.340 -0.009 0.000 0.202 90 Q C 1.946 177.953 176.000 0.011 0.000 0.978 90 Q CA 1.628 57.429 55.803 -0.003 0.000 0.844 90 Q CB -0.042 28.709 28.738 0.022 0.000 0.898 90 Q HN 0.522 nan 8.270 nan 0.000 0.426 91 L N -0.426 120.792 121.223 -0.008 0.000 2.162 91 L HA -0.053 4.282 4.340 -0.009 0.000 0.205 91 L C 2.558 179.426 176.870 -0.003 0.000 1.086 91 L CA 1.489 56.328 54.840 -0.001 0.000 0.778 91 L CB -0.349 41.706 42.059 -0.006 0.000 0.928 91 L HN 0.372 nan 8.230 nan 0.000 0.446 92 T N -4.901 109.646 114.554 -0.012 0.000 3.040 92 T HA 0.050 4.395 4.350 -0.009 0.000 0.252 92 T C 1.173 175.893 174.700 0.033 0.000 1.064 92 T CA -0.323 61.777 62.100 0.001 0.000 1.110 92 T CB 0.216 69.077 68.868 -0.012 0.000 0.921 92 T HN 0.113 nan 8.240 nan 0.000 0.480 93 R N 0.301 120.821 120.500 0.032 0.000 3.953 93 R HA -0.162 4.173 4.340 -0.009 0.000 0.340 93 R C 0.936 177.335 176.300 0.164 0.000 1.195 93 R CA 0.912 57.053 56.100 0.068 0.000 0.929 93 R CB -2.409 27.940 30.300 0.083 0.000 1.402 93 R HN 0.709 nan 8.270 nan 0.000 0.540 94 A N -0.202 122.700 122.820 0.137 0.000 2.431 94 A HA 0.158 4.473 4.320 -0.009 0.000 0.239 94 A C 0.925 178.620 177.584 0.185 0.000 1.230 94 A CA 0.882 53.061 52.037 0.236 0.000 0.928 94 A CB 0.445 19.527 19.000 0.137 0.000 1.006 94 A HN 0.302 nan 8.150 nan 0.000 0.520 95 T N -2.546 112.033 114.554 0.041 0.000 3.514 95 T HA 0.339 4.684 4.350 -0.009 0.000 0.259 95 T C -1.863 172.757 174.700 -0.134 0.000 1.466 95 T CA -1.042 61.037 62.100 -0.036 0.000 1.562 95 T CB 0.917 69.755 68.868 -0.050 0.000 0.924 95 T HN 0.103 nan 8.240 nan 0.000 0.678 96 P HA 0.011 nan 4.420 nan 0.000 0.226 96 P C -0.202 176.930 177.300 -0.280 0.000 1.153 96 P CA 0.528 63.436 63.100 -0.320 0.000 0.777 96 P CB 0.235 31.603 31.700 -0.553 0.000 0.794 97 N N -0.445 118.121 118.700 -0.224 0.000 2.319 97 N HA 0.340 5.075 4.740 -0.009 0.000 0.305 97 N C -0.889 174.532 175.510 -0.149 0.000 1.103 97 N CA -0.635 52.292 53.050 -0.205 0.000 0.815 97 N CB 2.714 41.114 38.487 -0.145 0.000 1.288 97 N HN -0.257 nan 8.380 nan 0.000 0.493 98 V N 0.701 120.528 119.914 -0.146 0.000 2.628 98 V HA 0.387 4.502 4.120 -0.009 0.000 0.306 98 V C 0.089 176.242 176.094 0.097 0.000 1.045 98 V CA -0.691 61.583 62.300 -0.043 0.000 0.905 98 V CB 1.864 33.676 31.823 -0.019 0.000 0.997 98 V HN 0.592 nan 8.190 nan 0.000 0.436 99 S N 5.153 120.882 115.700 0.048 0.000 2.452 99 S HA 0.613 5.078 4.470 -0.009 0.000 0.284 99 S C -0.327 174.446 174.600 0.289 0.000 1.171 99 S CA -0.420 57.871 58.200 0.151 0.000 1.064 99 S CB 0.399 63.645 63.200 0.077 0.000 0.967 99 S HN 0.456 nan 8.310 nan 0.000 0.484 100 L N 3.464 124.888 121.223 0.334 0.000 2.360 100 L HA 0.498 4.833 4.340 -0.009 0.000 0.271 100 L C 0.121 177.226 176.870 0.392 0.000 1.057 100 L CA -0.700 54.352 54.840 0.352 0.000 0.803 100 L CB 0.833 42.998 42.059 0.177 0.000 1.207 100 L HN 0.574 nan 8.230 nan 0.000 0.445 101 H N 3.397 122.684 119.070 0.361 0.000 2.609 101 H HA 0.453 5.003 4.556 -0.009 0.000 0.344 101 H C -1.039 174.325 175.328 0.060 0.000 1.040 101 H CA -0.558 55.594 56.048 0.172 0.000 1.216 101 H CB 1.815 31.671 29.762 0.156 0.000 1.529 101 H HN 0.231 nan 8.280 nan 0.000 0.519 102 I N 6.848 127.477 120.570 0.097 0.000 2.412 102 I HA 0.192 4.357 4.170 -0.009 0.000 0.296 102 I C -1.634 174.532 176.117 0.082 0.000 0.987 102 I CA -2.630 58.728 61.300 0.096 0.000 1.180 102 I CB 1.756 39.777 38.000 0.034 0.000 1.340 102 I HN 0.456 nan 8.210 nan 0.000 0.455 103 P HA -0.025 nan 4.420 nan 0.000 0.249 103 P C 1.102 178.530 177.300 0.213 0.000 1.229 103 P CA 0.412 63.577 63.100 0.108 0.000 0.788 103 P CB 0.221 31.975 31.700 0.091 0.000 1.072 104 W N 1.964 123.336 121.300 0.120 0.000 2.318 104 W HA -0.120 4.535 4.660 -0.008 0.000 0.313 104 W C 1.036 177.609 176.519 0.090 0.000 1.221 104 W CA 1.161 58.567 57.345 0.102 0.000 1.266 104 W CB -1.753 27.785 29.460 0.131 0.000 1.150 104 W HN 0.114 nan 8.180 nan 0.000 0.496 105 D N -0.201 120.405 120.400 0.344 0.000 2.395 105 D HA 0.034 4.669 4.640 -0.009 0.000 0.226 105 D C 0.192 176.523 176.300 0.051 0.000 1.146 105 D CA 0.137 54.242 54.000 0.175 0.000 0.830 105 D CB -0.291 40.629 40.800 0.200 0.000 0.958 105 D HN 0.032 nan 8.370 nan 0.000 0.501 106 K N 0.995 121.436 120.400 0.068 0.000 2.484 106 K HA 0.322 4.637 4.320 -0.009 0.000 0.280 106 K C -0.139 176.441 176.600 -0.034 0.000 1.013 106 K CA 0.232 56.531 56.287 0.020 0.000 1.029 106 K CB 0.565 33.094 32.500 0.048 0.000 0.902 106 K HN 0.094 nan 8.250 nan 0.000 0.481 107 A N 3.045 125.838 122.820 -0.046 0.000 2.544 107 A HA 0.162 4.477 4.320 -0.009 0.000 0.291 107 A C -1.665 175.924 177.584 0.008 0.000 1.055 107 A CA -0.961 51.050 52.037 -0.045 0.000 0.651 107 A CB 0.783 19.655 19.000 -0.213 0.000 1.296 107 A HN 0.755 nan 8.150 nan 0.000 0.431 108 D N 0.944 121.387 120.400 0.073 0.000 2.472 108 D HA 0.322 4.957 4.640 -0.009 0.000 0.248 108 D C -1.464 174.867 176.300 0.051 0.000 1.174 108 D CA -0.593 53.447 54.000 0.067 0.000 0.883 108 D CB 0.911 41.768 40.800 0.095 0.000 1.149 108 D HN 0.123 nan 8.370 nan 0.000 0.488 109 P HA -0.197 nan 4.420 nan 0.000 0.215 109 P C 0.842 178.152 177.300 0.017 0.000 1.157 109 P CA 1.591 64.681 63.100 -0.016 0.000 0.874 109 P CB 0.166 31.852 31.700 -0.023 0.000 0.790 110 K N -0.416 120.007 120.400 0.039 0.000 2.097 110 K HA -0.187 4.128 4.320 -0.009 0.000 0.206 110 K C 2.168 178.820 176.600 0.086 0.000 1.049 110 K CA 1.321 57.641 56.287 0.054 0.000 0.933 110 K CB -0.321 32.206 32.500 0.044 0.000 0.717 110 K HN 0.246 nan 8.250 nan 0.000 0.442 111 E N 0.771 121.041 120.200 0.117 0.000 2.106 111 E HA -0.115 4.230 4.350 -0.009 0.000 0.192 111 E C 2.050 178.809 176.600 0.265 0.000 0.984 111 E CA 0.582 57.089 56.400 0.178 0.000 0.806 111 E CB 0.089 29.941 29.700 0.252 0.000 0.750 111 E HN 0.211 nan 8.360 nan 0.000 0.458 112 L N 0.660 122.016 121.223 0.222 0.000 1.994 112 L HA -0.216 4.119 4.340 -0.009 0.000 0.208 112 L C 2.576 179.607 176.870 0.268 0.000 1.071 112 L CA 1.147 56.109 54.840 0.204 0.000 0.745 112 L CB -0.344 41.676 42.059 -0.066 0.000 0.892 112 L HN 0.025 nan 8.230 nan 0.000 0.431 113 K N 0.494 120.999 120.400 0.176 0.000 2.057 113 K HA -0.144 4.170 4.320 -0.009 0.000 0.207 113 K C 1.975 178.711 176.600 0.227 0.000 1.049 113 K CA 1.666 58.117 56.287 0.273 0.000 0.931 113 K CB -0.415 32.177 32.500 0.153 0.000 0.714 113 K HN 0.256 nan 8.250 nan 0.000 0.440 114 A N 0.385 123.301 122.820 0.159 0.000 1.902 114 A HA -0.142 4.172 4.320 -0.009 0.000 0.217 114 A C 2.207 179.857 177.584 0.111 0.000 1.181 114 A CA 1.853 53.955 52.037 0.108 0.000 0.623 114 A CB -0.543 18.502 19.000 0.075 0.000 0.818 114 A HN 0.297 nan 8.150 nan 0.000 0.443 115 R N -0.113 120.488 120.500 0.168 0.000 2.075 115 R HA -0.028 4.306 4.340 -0.009 0.000 0.232 115 R C 2.185 178.569 176.300 0.140 0.000 1.126 115 R CA 1.753 57.950 56.100 0.162 0.000 0.963 115 R CB -1.208 29.264 30.300 0.286 0.000 0.858 115 R HN 0.414 nan 8.270 nan 0.000 0.435 116 G N 0.132 109.054 108.800 0.204 0.000 2.421 116 G HA2 -0.254 3.701 3.960 -0.009 0.000 0.216 116 G HA3 -0.254 3.701 3.960 -0.009 0.000 0.216 116 G C 0.989 175.863 174.900 -0.043 0.000 1.171 116 G CA 1.005 46.123 45.100 0.030 0.000 0.775 116 G HN 0.313 nan 8.290 nan 0.000 0.543 117 D N 1.071 121.481 120.400 0.017 0.000 2.123 117 D HA -0.072 4.563 4.640 -0.009 0.000 0.196 117 D C 2.786 179.061 176.300 -0.042 0.000 0.992 117 D CA 1.313 55.302 54.000 -0.018 0.000 0.833 117 D CB -0.472 40.338 40.800 0.017 0.000 0.954 117 D HN 0.317 nan 8.370 nan 0.000 0.455 118 A N 0.179 122.987 122.820 -0.022 0.000 1.969 118 A HA -0.056 4.259 4.320 -0.009 0.000 0.218 118 A C 2.196 179.731 177.584 -0.080 0.000 1.169 118 A CA 0.756 52.767 52.037 -0.043 0.000 0.635 118 A CB -0.470 18.518 19.000 -0.020 0.000 0.810 118 A HN 0.238 nan 8.150 nan 0.000 0.445 119 L N -1.363 119.817 121.223 -0.072 0.000 2.592 119 L HA 0.230 4.565 4.340 -0.009 0.000 0.227 119 L C 1.475 178.259 176.870 -0.143 0.000 1.127 119 L CA 0.455 55.236 54.840 -0.099 0.000 0.884 119 L CB -0.070 41.957 42.059 -0.054 0.000 1.065 119 L HN 0.543 nan 8.230 nan 0.000 0.457 120 G N 1.122 109.834 108.800 -0.146 0.000 2.182 120 G HA2 -0.259 3.696 3.960 -0.009 0.000 0.248 120 G HA3 -0.259 3.696 3.960 -0.009 0.000 0.248 120 G C -0.177 174.607 174.900 -0.193 0.000 1.042 120 G CA -0.078 44.924 45.100 -0.164 0.000 0.775 120 G HN 0.229 nan 8.290 nan 0.000 0.501 121 L N -0.257 120.832 121.223 -0.224 0.000 2.362 121 L HA 0.800 5.135 4.340 -0.009 0.000 0.271 121 L C 0.969 177.554 176.870 -0.474 0.000 1.002 121 L CA -0.543 54.104 54.840 -0.322 0.000 0.818 121 L CB 2.025 43.892 42.059 -0.320 0.000 1.298 121 L HN 0.234 nan 8.230 nan 0.000 0.420 122 G N 0.791 109.298 108.800 -0.488 0.000 2.705 122 G HA2 0.720 4.675 3.960 -0.009 0.000 0.299 122 G HA3 0.720 4.675 3.960 -0.009 0.000 0.299 122 G C -1.484 172.980 174.900 -0.728 0.000 1.315 122 G CA -0.379 44.419 45.100 -0.504 0.000 1.045 122 G HN 0.257 nan 8.290 nan 0.000 0.517 123 F N -0.026 119.901 119.950 -0.038 0.000 2.493 123 F HA 0.368 4.890 4.527 -0.009 0.000 0.329 123 F C 0.438 176.210 175.800 -0.046 0.000 1.126 123 F CA -0.911 57.074 58.000 -0.026 0.000 0.937 123 F CB 2.117 41.116 39.000 -0.002 0.000 1.146 123 F HN 0.373 nan 8.300 nan 0.000 0.442 124 D N 1.183 121.660 120.400 0.129 0.000 2.430 124 D HA 0.510 5.145 4.640 -0.009 0.000 0.285 124 D C -0.090 176.240 176.300 0.050 0.000 1.210 124 D CA -0.281 53.753 54.000 0.056 0.000 1.080 124 D CB 1.308 42.141 40.800 0.055 0.000 1.134 124 D HN 0.610 nan 8.370 nan 0.000 0.562 125 A N 0.672 123.522 122.820 0.051 0.000 2.531 125 A HA 0.152 4.466 4.320 -0.009 0.000 0.236 125 A C 0.584 178.219 177.584 0.085 0.000 1.062 125 A CA 0.111 52.164 52.037 0.027 0.000 0.760 125 A CB 0.061 19.159 19.000 0.163 0.000 0.995 125 A HN 0.409 nan 8.150 nan 0.000 0.501 126 M N 2.155 121.777 119.600 0.038 0.000 2.241 126 M HA 0.204 4.679 4.480 -0.009 0.000 0.335 126 M C 0.058 176.384 176.300 0.043 0.000 1.122 126 M CA 0.200 55.539 55.300 0.067 0.000 1.164 126 M CB 0.169 32.821 32.600 0.087 0.000 1.459 126 M HN 0.667 nan 8.290 nan 0.000 0.461 127 N N 0.917 119.580 118.700 -0.062 0.000 2.399 127 N HA 0.316 5.051 4.740 -0.009 0.000 0.284 127 N C -0.896 174.385 175.510 -0.380 0.000 1.025 127 N CA -0.227 52.662 53.050 -0.268 0.000 0.885 127 N CB 1.863 39.991 38.487 -0.598 0.000 1.339 127 N HN 0.628 nan 8.380 nan 0.000 0.487 128 S N 1.518 117.124 115.700 -0.155 0.000 2.652 128 S HA 0.347 4.812 4.470 -0.009 0.000 0.270 128 S C -0.011 174.644 174.600 0.092 0.000 1.243 128 S CA -0.716 57.497 58.200 0.022 0.000 0.999 128 S CB 1.573 64.810 63.200 0.061 0.000 0.973 128 S HN 0.550 nan 8.310 nan 0.000 0.544 129 N N 0.775 119.552 118.700 0.129 0.000 2.617 129 N HA 0.248 4.983 4.740 -0.009 0.000 0.263 129 N C -0.613 174.483 175.510 -0.689 0.000 1.074 129 N CA -0.369 52.403 53.050 -0.463 0.000 0.841 129 N CB 1.254 39.313 38.487 -0.713 0.000 1.221 129 N HN 0.856 nan 8.380 nan 0.000 0.529 130 T N -0.020 114.182 114.554 -0.588 0.000 3.331 130 T HA 0.226 4.571 4.350 -0.009 0.000 0.282 130 T C 0.404 174.748 174.700 -0.593 0.000 1.010 130 T CA -0.500 61.110 62.100 -0.817 0.000 0.928 130 T CB -1.225 67.034 68.868 -1.015 0.000 1.154 130 T HN 0.255 nan 8.240 nan 0.000 0.516 131 F N 0.405 120.213 119.950 -0.238 0.000 2.654 131 F HA 0.663 5.184 4.527 -0.009 0.000 0.303 131 F C 0.152 175.955 175.800 0.006 0.000 1.099 131 F CA -1.043 56.857 58.000 -0.167 0.000 1.270 131 F CB -0.198 38.657 39.000 -0.242 0.000 1.024 131 F HN 0.315 nan 8.300 nan 0.000 0.548 132 S N -1.283 114.358 115.700 -0.097 0.000 2.565 132 S HA 0.500 4.965 4.470 -0.009 0.000 0.269 132 S C -1.766 172.852 174.600 0.031 0.000 1.153 132 S CA -0.931 57.279 58.200 0.018 0.000 0.835 132 S CB 2.108 65.311 63.200 0.004 0.000 1.122 132 S HN 0.009 nan 8.310 nan 0.000 0.462 133 D N 1.235 121.639 120.400 0.007 0.000 2.198 133 D HA 0.695 5.330 4.640 -0.009 0.000 0.245 133 D C -0.026 176.242 176.300 -0.055 0.000 1.079 133 D CA 0.000 53.958 54.000 -0.069 0.000 0.854 133 D CB 1.719 42.459 40.800 -0.100 0.000 1.148 133 D HN 0.860 nan 8.370 nan 0.000 0.456 134 A N 2.991 125.762 122.820 -0.082 0.000 2.295 134 A HA 0.649 4.964 4.320 -0.009 0.000 0.318 134 A C -2.339 175.214 177.584 -0.053 0.000 1.134 134 A CA -1.384 50.627 52.037 -0.044 0.000 0.827 134 A CB 0.318 19.292 19.000 -0.043 0.000 1.136 134 A HN 0.322 nan 8.150 nan 0.000 0.493 135 P HA 0.265 nan 4.420 nan 0.000 0.265 135 P C 1.007 178.280 177.300 -0.046 0.000 1.187 135 P CA 1.892 64.973 63.100 -0.032 0.000 0.766 135 P CB 0.555 32.248 31.700 -0.012 0.000 0.820 136 G N 1.198 109.964 108.800 -0.057 0.000 2.189 136 G HA2 -0.327 3.628 3.960 -0.009 0.000 0.267 136 G HA3 -0.327 3.628 3.960 -0.009 0.000 0.267 136 G C 0.314 175.157 174.900 -0.096 0.000 0.975 136 G CA 0.074 45.135 45.100 -0.066 0.000 0.644 136 G HN 0.677 nan 8.290 nan 0.000 0.537 137 Q N 0.114 119.842 119.800 -0.120 0.000 2.274 137 Q HA 0.550 4.884 4.340 -0.009 0.000 0.280 137 Q C 1.760 177.630 176.000 -0.216 0.000 1.047 137 Q CA 0.613 56.313 55.803 -0.172 0.000 0.907 137 Q CB 0.683 29.287 28.738 -0.224 0.000 1.171 137 Q HN 0.687 nan 8.270 nan 0.000 0.381 138 A N 5.186 127.851 122.820 -0.259 0.000 1.898 138 A HA -0.083 4.232 4.320 -0.009 0.000 0.216 138 A C 0.195 177.413 177.584 -0.610 0.000 1.181 138 A CA 1.073 52.860 52.037 -0.417 0.000 0.620 138 A CB -0.007 18.715 19.000 -0.464 0.000 0.819 138 A HN 0.798 nan 8.150 nan 0.000 0.442 139 H N -0.838 118.097 119.070 -0.225 0.000 2.529 139 H HA 0.433 4.984 4.556 -0.008 0.000 0.348 139 H C -0.711 174.360 175.328 -0.429 0.000 1.079 139 H CA -0.539 55.349 56.048 -0.268 0.000 1.198 139 H CB 1.562 31.172 29.762 -0.253 0.000 1.521 139 H HN 0.231 nan 8.280 nan 0.000 0.514 140 S N 1.717 117.300 115.700 -0.194 0.000 2.584 140 S HA 0.108 4.573 4.470 -0.009 0.000 0.273 140 S C 0.042 174.532 174.600 -0.184 0.000 1.311 140 S CA -0.389 57.664 58.200 -0.245 0.000 1.034 140 S CB 0.276 63.415 63.200 -0.103 0.000 0.939 140 S HN 0.447 nan 8.310 nan 0.000 0.513 141 Y N 2.735 123.023 120.300 -0.021 0.000 2.532 141 Y HA 0.308 4.853 4.550 -0.009 0.000 0.283 141 Y C 1.803 177.708 175.900 0.009 0.000 1.181 141 Y CA -0.520 57.589 58.100 0.016 0.000 1.256 141 Y CB -0.494 37.944 38.460 -0.037 0.000 1.112 141 Y HN 0.733 nan 8.280 nan 0.000 0.521 142 K N 0.016 120.436 120.400 0.033 0.000 2.074 142 K HA -0.221 4.094 4.320 -0.009 0.000 0.209 142 K C 0.256 176.715 176.600 -0.234 0.000 1.048 142 K CA 1.913 58.080 56.287 -0.201 0.000 0.926 142 K CB -0.162 32.045 32.500 -0.489 0.000 0.713 142 K HN 0.307 nan 8.250 nan 0.000 0.444 143 Y N -0.271 120.145 120.300 0.192 0.000 2.571 143 Y HA 0.351 4.897 4.550 -0.006 0.000 0.275 143 Y C 0.595 176.516 175.900 0.034 0.000 1.179 143 Y CA 0.121 58.259 58.100 0.064 0.000 1.242 143 Y CB 1.055 39.478 38.460 -0.063 0.000 1.126 143 Y HN 0.295 nan 8.280 nan 0.000 0.524 144 G N -0.678 108.302 108.800 0.300 0.000 2.354 144 G HA2 0.233 4.188 3.960 -0.009 0.000 0.582 144 G HA3 0.233 4.188 3.960 -0.009 0.000 0.582 144 G C -0.044 175.059 174.900 0.338 0.000 1.316 144 G CA -0.233 45.009 45.100 0.236 0.000 0.995 144 G HN 0.289 nan 8.290 nan 0.000 0.573 145 S N -1.266 114.514 115.700 0.134 0.000 4.002 145 S HA 0.351 4.816 4.470 -0.009 0.000 0.167 145 S C 1.998 176.621 174.600 0.038 0.000 0.914 145 S CA 0.581 58.764 58.200 -0.029 0.000 1.110 145 S CB -0.251 62.605 63.200 -0.573 0.000 1.714 145 S HN 0.910 nan 8.310 nan 0.000 0.858 146 L N 2.799 124.009 121.223 -0.022 0.000 2.265 146 L HA 0.056 4.391 4.340 -0.009 0.000 0.215 146 L C 2.089 179.012 176.870 0.088 0.000 1.117 146 L CA 1.480 56.325 54.840 0.008 0.000 0.782 146 L CB -0.497 41.535 42.059 -0.045 0.000 0.914 146 L HN 0.717 nan 8.230 nan 0.000 0.441 147 S N -3.267 112.526 115.700 0.156 0.000 2.650 147 S HA 0.058 4.523 4.470 -0.009 0.000 0.240 147 S C 0.649 175.341 174.600 0.154 0.000 1.007 147 S CA -0.623 57.680 58.200 0.172 0.000 0.984 147 S CB -0.305 63.023 63.200 0.214 0.000 0.910 147 S HN 0.296 nan 8.310 nan 0.000 0.509 148 H N 2.781 121.899 119.070 0.079 0.000 2.948 148 H HA 0.057 4.608 4.556 -0.008 0.000 0.351 148 H C 1.608 176.969 175.328 0.056 0.000 1.079 148 H CA 1.698 57.798 56.048 0.088 0.000 1.407 148 H CB 1.458 31.285 29.762 0.110 0.000 1.373 148 H HN 0.450 nan 8.280 nan 0.000 0.605 149 T N 0.949 115.519 114.554 0.027 0.000 2.962 149 T HA -0.149 4.196 4.350 -0.009 0.000 0.270 149 T C 0.905 175.719 174.700 0.190 0.000 1.088 149 T CA 0.543 62.690 62.100 0.078 0.000 1.127 149 T CB -0.073 68.775 68.868 -0.034 0.000 0.883 149 T HN 0.422 nan 8.240 nan 0.000 0.493 150 N N 0.954 119.927 118.700 0.454 0.000 2.422 150 N HA 0.546 5.281 4.740 -0.009 0.000 0.264 150 N C 1.117 176.630 175.510 0.006 0.000 1.063 150 N CA 0.308 53.445 53.050 0.145 0.000 0.959 150 N CB 1.133 39.633 38.487 0.022 0.000 1.087 150 N HN 0.192 nan 8.380 nan 0.000 0.483 151 A N 4.000 126.804 122.820 -0.027 0.000 1.883 151 A HA -0.148 4.167 4.320 -0.009 0.000 0.217 151 A C 2.070 179.590 177.584 -0.107 0.000 1.186 151 A CA 2.009 54.019 52.037 -0.046 0.000 0.624 151 A CB -1.232 17.748 19.000 -0.034 0.000 0.822 151 A HN 0.779 nan 8.150 nan 0.000 0.444 152 A N -1.245 121.456 122.820 -0.198 0.000 1.972 152 A HA -0.068 4.247 4.320 -0.009 0.000 0.219 152 A C 2.266 179.605 177.584 -0.409 0.000 1.169 152 A CA 2.247 54.107 52.037 -0.296 0.000 0.635 152 A CB -1.112 17.644 19.000 -0.406 0.000 0.810 152 A HN 0.454 nan 8.150 nan 0.000 0.446 153 T N -0.429 113.828 114.554 -0.495 0.000 2.812 153 T HA -0.088 4.256 4.350 -0.009 0.000 0.264 153 T C 2.047 176.715 174.700 -0.053 0.000 1.042 153 T CA 1.303 63.198 62.100 -0.343 0.000 1.140 153 T CB -0.194 68.321 68.868 -0.587 0.000 0.870 153 T HN 0.516 nan 8.240 nan 0.000 0.445 154 R N 1.120 121.596 120.500 -0.039 0.000 2.081 154 R HA 0.065 4.399 4.340 -0.009 0.000 0.235 154 R C 2.830 179.133 176.300 0.005 0.000 1.131 154 R CA 1.240 57.350 56.100 0.016 0.000 0.960 154 R CB -0.490 29.819 30.300 0.016 0.000 0.856 154 R HN 0.351 nan 8.270 nan 0.000 0.436 155 A N 1.208 124.017 122.820 -0.017 0.000 1.933 155 A HA -0.246 4.069 4.320 -0.009 0.000 0.218 155 A C 2.132 179.734 177.584 0.031 0.000 1.175 155 A CA 1.402 53.436 52.037 -0.005 0.000 0.628 155 A CB -0.505 18.485 19.000 -0.016 0.000 0.814 155 A HN 0.387 nan 8.150 nan 0.000 0.444 156 Q N -0.536 119.301 119.800 0.061 0.000 2.084 156 Q HA -0.123 4.212 4.340 -0.009 0.000 0.202 156 Q C 2.159 178.259 176.000 0.167 0.000 0.978 156 Q CA 1.561 57.436 55.803 0.120 0.000 0.844 156 Q CB -0.329 28.503 28.738 0.157 0.000 0.898 156 Q HN 0.597 nan 8.270 nan 0.000 0.426 157 A N -0.057 122.865 122.820 0.171 0.000 1.898 157 A HA -0.105 4.210 4.320 -0.009 0.000 0.216 157 A C 2.195 179.816 177.584 0.061 0.000 1.181 157 A CA 1.372 53.469 52.037 0.100 0.000 0.620 157 A CB -0.637 18.338 19.000 -0.041 0.000 0.819 157 A HN 0.300 nan 8.150 nan 0.000 0.442 158 V N 0.146 120.074 119.914 0.023 0.000 2.295 158 V HA -0.231 3.884 4.120 -0.009 0.000 0.246 158 V C 2.647 178.737 176.094 -0.006 0.000 1.049 158 V CA 2.408 64.700 62.300 -0.014 0.000 1.024 158 V CB -0.665 31.139 31.823 -0.032 0.000 0.648 158 V HN 0.706 nan 8.190 nan 0.000 0.447 159 E N 0.026 120.238 120.200 0.020 0.000 2.085 159 E HA -0.269 4.076 4.350 -0.009 0.000 0.194 159 E C 2.210 178.820 176.600 0.017 0.000 0.994 159 E CA 1.797 58.203 56.400 0.010 0.000 0.801 159 E CB -0.556 29.160 29.700 0.027 0.000 0.743 159 E HN 0.754 nan 8.360 nan 0.000 0.453 160 H N 0.084 119.145 119.070 -0.015 0.000 2.353 160 H HA -0.072 4.478 4.556 -0.009 0.000 0.300 160 H C 1.650 176.949 175.328 -0.048 0.000 1.090 160 H CA 1.648 57.683 56.048 -0.021 0.000 1.327 160 H CB 0.031 29.793 29.762 0.000 0.000 1.383 160 H HN 0.204 nan 8.280 nan 0.000 0.508 161 N N 0.643 119.247 118.700 -0.160 0.000 2.188 161 N HA -0.108 4.627 4.740 -0.009 0.000 0.184 161 N C 2.312 177.701 175.510 -0.202 0.000 1.018 161 N CA 0.840 53.767 53.050 -0.206 0.000 0.858 161 N CB 0.017 38.454 38.487 -0.084 0.000 0.989 161 N HN 0.392 nan 8.380 nan 0.000 0.426 162 L N 1.182 122.310 121.223 -0.159 0.000 2.093 162 L HA -0.118 4.217 4.340 -0.009 0.000 0.208 162 L C 2.492 179.251 176.870 -0.185 0.000 1.085 162 L CA 0.957 55.697 54.840 -0.167 0.000 0.755 162 L CB -0.369 41.614 42.059 -0.127 0.000 0.904 162 L HN 0.224 nan 8.230 nan 0.000 0.435 163 E N -0.102 119.990 120.200 -0.180 0.000 2.110 163 E HA -0.235 4.110 4.350 -0.009 0.000 0.193 163 E C 2.307 178.794 176.600 -0.187 0.000 0.988 163 E CA 1.587 57.889 56.400 -0.164 0.000 0.804 163 E CB 0.005 29.623 29.700 -0.137 0.000 0.745 163 E HN 0.538 nan 8.360 nan 0.000 0.458 164 C N 0.441 119.586 119.300 -0.258 0.000 2.425 164 C HA -0.064 4.390 4.460 -0.009 0.000 0.277 164 C C 2.540 177.478 174.990 -0.087 0.000 1.280 164 C CA 0.329 59.235 59.018 -0.188 0.000 1.744 164 C CB -0.824 26.778 27.740 -0.231 0.000 1.989 164 C HN 0.499 nan 8.230 nan 0.000 0.491 165 I N 0.650 121.121 120.570 -0.166 0.000 2.315 165 I HA -0.147 4.018 4.170 -0.009 0.000 0.248 165 I C 2.564 178.494 176.117 -0.311 0.000 1.117 165 I CA 1.246 62.345 61.300 -0.335 0.000 1.404 165 I CB -0.513 37.163 38.000 -0.539 0.000 1.071 165 I HN 0.324 nan 8.210 nan 0.000 0.419 166 E N 0.893 120.960 120.200 -0.221 0.000 2.077 166 E HA -0.167 4.178 4.350 -0.009 0.000 0.193 166 E C 2.280 178.829 176.600 -0.085 0.000 0.989 166 E CA 1.282 57.586 56.400 -0.161 0.000 0.800 166 E CB -0.205 29.416 29.700 -0.131 0.000 0.746 166 E HN 0.528 nan 8.360 nan 0.000 0.452 167 I N 0.612 121.143 120.570 -0.065 0.000 2.202 167 I HA -0.177 3.988 4.170 -0.009 0.000 0.242 167 I C 2.489 178.606 176.117 0.001 0.000 1.091 167 I CA 1.276 62.550 61.300 -0.043 0.000 1.368 167 I CB -0.566 37.400 38.000 -0.058 0.000 1.058 167 I HN 0.115 nan 8.210 nan 0.000 0.410 168 G N 0.877 109.738 108.800 0.101 0.000 2.440 168 G HA2 -0.246 3.709 3.960 -0.009 0.000 0.218 168 G HA3 -0.246 3.709 3.960 -0.009 0.000 0.218 168 G C 1.720 176.818 174.900 0.330 0.000 1.154 168 G CA 0.647 45.905 45.100 0.262 0.000 0.767 168 G HN 0.312 nan 8.290 nan 0.000 0.552 169 K N 0.543 121.115 120.400 0.288 0.000 2.103 169 K HA 0.015 4.330 4.320 -0.009 0.000 0.207 169 K C 2.854 179.524 176.600 0.116 0.000 1.048 169 K CA 1.073 57.489 56.287 0.214 0.000 0.930 169 K CB -0.203 32.284 32.500 -0.022 0.000 0.716 169 K HN 0.282 nan 8.250 nan 0.000 0.444 170 A N 1.401 124.252 122.820 0.052 0.000 2.015 170 A HA -0.071 4.244 4.320 -0.009 0.000 0.219 170 A C 1.961 179.563 177.584 0.030 0.000 1.163 170 A CA 1.139 53.191 52.037 0.025 0.000 0.646 170 A CB -0.568 18.429 19.000 -0.006 0.000 0.806 170 A HN 0.488 nan 8.150 nan 0.000 0.448 171 I N -5.960 114.620 120.570 0.016 0.000 4.018 171 I HA 0.524 4.689 4.170 -0.009 0.000 0.337 171 I C 1.063 177.273 176.117 0.155 0.000 1.327 171 I CA 0.625 61.929 61.300 0.007 0.000 1.100 171 I CB 0.369 38.177 38.000 -0.320 0.000 1.025 171 I HN 0.306 nan 8.210 nan 0.000 0.396 172 G N 1.451 110.335 108.800 0.140 0.000 2.163 172 G HA2 -0.261 3.694 3.960 -0.009 0.000 0.213 172 G HA3 -0.261 3.694 3.960 -0.009 0.000 0.213 172 G C 0.306 175.256 174.900 0.084 0.000 0.991 172 G CA 0.216 45.398 45.100 0.137 0.000 0.653 172 G HN 0.536 nan 8.290 nan 0.000 0.518 173 S N -0.264 115.476 115.700 0.067 0.000 2.593 173 S HA 0.614 5.079 4.470 -0.009 0.000 0.269 173 S C 0.939 175.223 174.600 -0.527 0.000 1.334 173 S CA 0.326 58.442 58.200 -0.141 0.000 1.015 173 S CB 0.763 63.897 63.200 -0.109 0.000 0.912 173 S HN 0.196 nan 8.310 nan 0.000 0.541 174 K N 1.219 121.057 120.400 -0.936 0.000 2.589 174 K HA 0.461 4.776 4.320 -0.009 0.000 0.198 174 K C -0.600 175.020 176.600 -1.634 0.000 1.114 174 K CA -0.021 55.378 56.287 -1.480 0.000 1.070 174 K CB 0.761 32.895 32.500 -0.610 0.000 0.860 174 K HN 0.600 nan 8.250 nan 0.000 0.536 175 A N 0.732 122.601 122.820 -1.585 0.000 2.608 175 A HA 0.667 4.982 4.320 -0.009 0.000 0.292 175 A C -2.125 175.202 177.584 -0.429 0.000 1.066 175 A CA -0.725 50.795 52.037 -0.861 0.000 0.676 175 A CB 1.317 19.912 19.000 -0.675 0.000 1.277 175 A HN 0.088 nan 8.150 nan 0.000 0.413 176 L N 0.787 121.921 121.223 -0.148 0.000 2.376 176 L HA 0.771 5.106 4.340 -0.009 0.000 0.275 176 L C -0.530 176.347 176.870 0.011 0.000 0.987 176 L CA 0.263 55.130 54.840 0.045 0.000 0.828 176 L CB 2.048 44.202 42.059 0.158 0.000 1.249 176 L HN 0.644 nan 8.230 nan 0.000 0.409 177 T N 4.602 119.222 114.554 0.109 0.000 2.767 177 T HA 0.576 4.921 4.350 -0.009 0.000 0.284 177 T C -0.613 174.180 174.700 0.155 0.000 0.973 177 T CA -0.287 61.932 62.100 0.198 0.000 0.996 177 T CB 1.172 70.194 68.868 0.257 0.000 0.927 177 T HN 0.367 nan 8.240 nan 0.000 0.456 178 V N 4.612 124.634 119.914 0.179 0.000 2.326 178 V HA 0.431 4.546 4.120 -0.009 0.000 0.281 178 V C -0.888 175.357 176.094 0.251 0.000 1.015 178 V CA -0.994 61.411 62.300 0.176 0.000 0.823 178 V CB 0.797 32.697 31.823 0.129 0.000 1.009 178 V HN 0.907 nan 8.190 nan 0.000 0.436 179 W N 8.422 129.788 121.300 0.110 0.000 2.600 179 W HA 0.811 5.466 4.660 -0.007 0.000 0.325 179 W C -0.753 175.839 176.519 0.122 0.000 1.034 179 W CA -0.940 56.457 57.345 0.087 0.000 1.226 179 W CB 1.297 30.786 29.460 0.049 0.000 1.379 179 W HN 0.596 nan 8.180 nan 0.000 0.466 180 I N 2.889 122.908 120.570 -0.920 0.000 2.892 180 I HA 0.801 4.966 4.170 -0.009 0.000 0.306 180 I C 0.815 176.172 176.117 -1.267 0.000 1.078 180 I CA -1.166 59.613 61.300 -0.868 0.000 1.032 180 I CB 2.151 39.957 38.000 -0.324 0.000 1.229 180 I HN 0.645 nan 8.210 nan 0.000 0.435 181 G N 1.330 109.612 108.800 -0.863 0.000 2.880 181 G HA2 0.033 3.988 3.960 -0.009 0.000 0.209 181 G HA3 0.033 3.988 3.960 -0.009 0.000 0.209 181 G C 0.029 174.746 174.900 -0.305 0.000 1.157 181 G CA -0.124 44.623 45.100 -0.587 0.000 0.779 181 G HN 0.736 nan 8.290 nan 0.000 0.539 182 D N 0.925 121.178 120.400 -0.245 0.000 2.752 182 D HA 0.392 5.026 4.640 -0.009 0.000 0.225 182 D C 0.934 177.173 176.300 -0.103 0.000 1.104 182 D CA 1.818 55.750 54.000 -0.114 0.000 0.832 182 D CB 0.716 41.480 40.800 -0.060 0.000 1.161 182 D HN 0.382 nan 8.370 nan 0.000 0.505 183 G N 0.130 108.907 108.800 -0.037 0.000 2.356 183 G HA2 0.517 4.471 3.960 -0.009 0.000 0.281 183 G HA3 0.517 4.471 3.960 -0.009 0.000 0.281 183 G C -1.362 173.577 174.900 0.065 0.000 1.246 183 G CA -0.156 44.938 45.100 -0.010 0.000 0.889 183 G HN 0.769 nan 8.290 nan 0.000 0.486 184 S N -1.244 114.521 115.700 0.108 0.000 2.588 184 S HA 0.653 5.118 4.470 -0.009 0.000 0.275 184 S C -0.373 174.332 174.600 0.176 0.000 1.130 184 S CA -0.721 57.595 58.200 0.192 0.000 0.855 184 S CB 2.231 65.615 63.200 0.307 0.000 1.116 184 S HN 0.411 nan 8.310 nan 0.000 0.472 185 N N -0.459 118.307 118.700 0.110 0.000 2.220 185 N HA 0.421 5.156 4.740 -0.009 0.000 0.195 185 N C -1.455 173.730 175.510 -0.542 0.000 1.123 185 N CA 0.204 53.155 53.050 -0.166 0.000 0.874 185 N CB 0.047 38.342 38.487 -0.321 0.000 0.995 185 N HN 0.588 nan 8.380 nan 0.000 0.498 186 F N -0.066 119.963 119.950 0.132 0.000 2.591 186 F HA 0.446 4.967 4.527 -0.010 0.000 0.309 186 F C -2.291 173.312 175.800 -0.329 0.000 1.098 186 F CA -2.471 55.465 58.000 -0.106 0.000 0.937 186 F CB 1.860 40.828 39.000 -0.054 0.000 1.250 186 F HN -0.297 nan 8.300 nan 0.000 0.447 187 P HA 0.224 nan 4.420 nan 0.000 0.265 187 P C 0.704 177.902 177.300 -0.169 0.000 1.193 187 P CA 1.262 64.009 63.100 -0.588 0.000 0.765 187 P CB 0.739 32.127 31.700 -0.519 0.000 0.823 188 G N 2.325 111.049 108.800 -0.127 0.000 2.299 188 G HA2 -0.366 3.589 3.960 -0.009 0.000 0.237 188 G HA3 -0.366 3.589 3.960 -0.009 0.000 0.237 188 G C 1.297 176.158 174.900 -0.065 0.000 1.027 188 G CA 0.509 45.543 45.100 -0.110 0.000 0.619 188 G HN 0.565 nan 8.290 nan 0.000 0.513 189 Q N 0.688 120.495 119.800 0.012 0.000 2.112 189 Q HA 0.044 4.379 4.340 -0.009 0.000 0.206 189 Q C 0.955 176.962 176.000 0.010 0.000 0.987 189 Q CA 1.856 57.685 55.803 0.043 0.000 0.858 189 Q CB -0.104 28.738 28.738 0.174 0.000 0.905 189 Q HN 0.574 nan 8.270 nan 0.000 0.420 190 S N 0.550 116.266 115.700 0.028 0.000 2.566 190 S HA 0.306 4.771 4.470 -0.009 0.000 0.298 190 S C -0.851 173.689 174.600 -0.099 0.000 1.083 190 S CA -0.921 57.287 58.200 0.012 0.000 0.978 190 S CB 1.562 64.834 63.200 0.121 0.000 1.073 190 S HN 0.324 nan 8.310 nan 0.000 0.491 191 N N 1.603 120.264 118.700 -0.066 0.000 2.439 191 N HA 0.166 4.901 4.740 -0.009 0.000 0.249 191 N C 0.284 175.810 175.510 0.026 0.000 1.003 191 N CA -0.327 52.655 53.050 -0.113 0.000 0.942 191 N CB 0.151 38.609 38.487 -0.049 0.000 1.115 191 N HN 0.373 nan 8.380 nan 0.000 0.505 192 F N 2.140 122.114 119.950 0.041 0.000 2.063 192 F HA -0.207 4.319 4.527 -0.003 0.000 0.298 192 F C 2.461 178.295 175.800 0.056 0.000 1.109 192 F CA 1.290 59.303 58.000 0.022 0.000 1.212 192 F CB -1.275 37.719 39.000 -0.009 0.000 0.973 192 F HN 0.423 nan 8.300 nan 0.000 0.480 193 T N -0.123 114.589 114.554 0.264 0.000 2.737 193 T HA -0.152 4.193 4.350 -0.009 0.000 0.265 193 T C 2.108 176.917 174.700 0.182 0.000 1.038 193 T CA 1.448 63.677 62.100 0.215 0.000 1.144 193 T CB -0.257 68.699 68.868 0.146 0.000 0.866 193 T HN 0.162 nan 8.240 nan 0.000 0.434 194 R N 0.945 121.516 120.500 0.119 0.000 2.096 194 R HA 0.041 4.376 4.340 -0.009 0.000 0.235 194 R C 2.786 179.153 176.300 0.112 0.000 1.127 194 R CA 1.216 57.367 56.100 0.085 0.000 0.968 194 R CB -0.442 29.885 30.300 0.045 0.000 0.861 194 R HN 0.357 nan 8.270 nan 0.000 0.440 195 A N 0.644 123.551 122.820 0.145 0.000 1.902 195 A HA -0.184 4.131 4.320 -0.009 0.000 0.217 195 A C 1.902 179.634 177.584 0.246 0.000 1.181 195 A CA 1.047 53.181 52.037 0.162 0.000 0.623 195 A CB -0.545 18.548 19.000 0.156 0.000 0.818 195 A HN 0.327 nan 8.150 nan 0.000 0.443 196 F N 1.120 121.111 119.950 0.068 0.000 2.186 196 F HA -0.052 4.468 4.527 -0.011 0.000 0.299 196 F C 2.099 177.965 175.800 0.110 0.000 1.090 196 F CA 1.558 59.596 58.000 0.064 0.000 1.307 196 F CB -0.473 38.534 39.000 0.012 0.000 1.019 196 F HN 0.398 nan 8.300 nan 0.000 0.489 197 E N -0.185 120.048 120.200 0.055 0.000 2.077 197 E HA -0.212 4.133 4.350 -0.009 0.000 0.193 197 E C 2.328 178.905 176.600 -0.039 0.000 0.989 197 E CA 1.184 57.543 56.400 -0.069 0.000 0.800 197 E CB -0.199 29.492 29.700 -0.015 0.000 0.746 197 E HN 0.413 nan 8.360 nan 0.000 0.452 198 R N -0.047 120.477 120.500 0.041 0.000 2.081 198 R HA -0.166 4.169 4.340 -0.009 0.000 0.235 198 R C 2.350 178.680 176.300 0.050 0.000 1.131 198 R CA 1.419 57.545 56.100 0.042 0.000 0.960 198 R CB -0.454 29.891 30.300 0.075 0.000 0.856 198 R HN 0.279 nan 8.270 nan 0.000 0.436 199 Y N 1.701 121.992 120.300 -0.016 0.000 2.145 199 Y HA -0.197 4.347 4.550 -0.009 0.000 0.286 199 Y C 1.988 177.834 175.900 -0.089 0.000 1.145 199 Y CA 1.512 59.606 58.100 -0.010 0.000 1.148 199 Y CB -0.283 38.237 38.460 0.100 0.000 0.981 199 Y HN -0.065 nan 8.280 nan 0.000 0.507 200 L N -0.819 120.348 121.223 -0.093 0.000 2.083 200 L HA -0.230 4.105 4.340 -0.009 0.000 0.209 200 L C 2.827 179.563 176.870 -0.224 0.000 1.083 200 L CA 1.610 56.306 54.840 -0.241 0.000 0.752 200 L CB -0.793 41.046 42.059 -0.366 0.000 0.899 200 L HN 0.256 nan 8.230 nan 0.000 0.433 201 S N -0.419 115.182 115.700 -0.166 0.000 2.368 201 S HA -0.132 4.333 4.470 -0.009 0.000 0.224 201 S C 2.130 176.649 174.600 -0.135 0.000 1.029 201 S CA 1.148 59.270 58.200 -0.130 0.000 0.988 201 S CB -0.041 63.106 63.200 -0.088 0.000 0.838 201 S HN 0.430 nan 8.310 nan 0.000 0.462 202 A N 1.826 124.553 122.820 -0.155 0.000 1.898 202 A HA 0.017 4.332 4.320 -0.009 0.000 0.216 202 A C 2.249 179.714 177.584 -0.198 0.000 1.181 202 A CA 1.514 53.458 52.037 -0.155 0.000 0.620 202 A CB -0.577 18.333 19.000 -0.149 0.000 0.819 202 A HN 0.537 nan 8.150 nan 0.000 0.442 203 M N -0.387 119.020 119.600 -0.320 0.000 2.213 203 M HA -0.091 4.384 4.480 -0.009 0.000 0.263 203 M C 2.423 178.648 176.300 -0.124 0.000 1.062 203 M CA 1.386 56.517 55.300 -0.282 0.000 1.105 203 M CB -1.326 31.009 32.600 -0.442 0.000 1.385 203 M HN 0.509 nan 8.290 nan 0.000 0.417 204 A N 0.062 122.801 122.820 -0.135 0.000 1.969 204 A HA -0.154 4.160 4.320 -0.009 0.000 0.218 204 A C 2.059 179.631 177.584 -0.020 0.000 1.169 204 A CA 1.448 53.432 52.037 -0.089 0.000 0.635 204 A CB -0.545 18.378 19.000 -0.130 0.000 0.810 204 A HN 0.551 nan 8.150 nan 0.000 0.445 205 E N -0.288 119.881 120.200 -0.051 0.000 2.072 205 E HA -0.125 4.220 4.350 -0.009 0.000 0.191 205 E C 1.852 178.433 176.600 -0.031 0.000 0.985 205 E CA 1.146 57.522 56.400 -0.040 0.000 0.801 205 E CB -0.265 29.402 29.700 -0.056 0.000 0.750 205 E HN 0.701 nan 8.360 nan 0.000 0.452 206 I N 0.326 120.871 120.570 -0.042 0.000 2.226 206 I HA -0.281 3.884 4.170 -0.009 0.000 0.245 206 I C 2.378 178.477 176.117 -0.029 0.000 1.100 206 I CA 1.017 62.285 61.300 -0.054 0.000 1.374 206 I CB -0.275 37.685 38.000 -0.066 0.000 1.057 206 I HN 0.130 nan 8.210 nan 0.000 0.413 207 Y N 2.177 122.416 120.300 -0.102 0.000 2.165 207 Y HA -0.284 4.262 4.550 -0.008 0.000 0.286 207 Y C 2.398 178.247 175.900 -0.085 0.000 1.155 207 Y CA 1.711 59.761 58.100 -0.084 0.000 1.164 207 Y CB -0.179 38.235 38.460 -0.076 0.000 0.978 207 Y HN 0.014 nan 8.280 nan 0.000 0.513 208 K N -0.967 119.502 120.400 0.115 0.000 2.280 208 K HA -0.081 4.234 4.320 -0.009 0.000 0.202 208 K C 1.916 178.469 176.600 -0.078 0.000 1.047 208 K CA 0.946 57.254 56.287 0.036 0.000 0.942 208 K CB -0.394 32.118 32.500 0.020 0.000 0.739 208 K HN 0.431 nan 8.250 nan 0.000 0.457 209 G N 0.710 109.435 108.800 -0.125 0.000 3.141 209 G HA2 0.089 4.044 3.960 -0.009 0.000 0.218 209 G HA3 0.089 4.044 3.960 -0.009 0.000 0.218 209 G C 0.250 174.974 174.900 -0.292 0.000 1.170 209 G CA -0.305 44.682 45.100 -0.189 0.000 0.769 209 G HN 0.024 nan 8.290 nan 0.000 0.546 210 L N 1.467 122.506 121.223 -0.306 0.000 2.319 210 L HA 0.284 4.619 4.340 -0.009 0.000 0.280 210 L C -1.972 174.704 176.870 -0.324 0.000 1.099 210 L CA -1.785 52.833 54.840 -0.370 0.000 0.828 210 L CB 1.294 43.128 42.059 -0.376 0.000 1.150 210 L HN -0.084 nan 8.230 nan 0.000 0.442 211 P HA 0.019 nan 4.420 nan 0.000 0.271 211 P C 0.130 177.389 177.300 -0.070 0.000 1.244 211 P CA -0.365 62.589 63.100 -0.244 0.000 0.793 211 P CB 0.596 32.104 31.700 -0.320 0.000 0.984 212 D N 0.547 120.931 120.400 -0.027 0.000 2.158 212 D HA -0.166 4.469 4.640 -0.009 0.000 0.197 212 D C 0.775 177.104 176.300 0.048 0.000 0.995 212 D CA 1.555 55.557 54.000 0.003 0.000 0.846 212 D CB -0.358 40.447 40.800 0.009 0.000 0.941 212 D HN 0.552 nan 8.370 nan 0.000 0.456 213 D N -1.392 119.077 120.400 0.114 0.000 2.427 213 D HA -0.020 4.615 4.640 -0.009 0.000 0.224 213 D C -0.115 176.279 176.300 0.157 0.000 1.157 213 D CA -0.449 53.622 54.000 0.119 0.000 0.828 213 D CB -0.662 40.197 40.800 0.099 0.000 0.974 213 D HN 0.085 nan 8.370 nan 0.000 0.498 214 W N 0.884 122.109 121.300 -0.124 0.000 2.578 214 W HA 0.495 5.150 4.660 -0.009 0.000 0.353 214 W C 0.442 176.820 176.519 -0.234 0.000 1.088 214 W CA -0.681 56.560 57.345 -0.173 0.000 1.235 214 W CB 1.364 30.708 29.460 -0.193 0.000 1.362 214 W HN -0.416 nan 8.180 nan 0.000 0.592 215 K N 1.947 122.245 120.400 -0.171 0.000 2.328 215 K HA 0.606 4.921 4.320 -0.009 0.000 0.246 215 K C -1.705 174.601 176.600 -0.490 0.000 0.955 215 K CA -1.281 54.787 56.287 -0.365 0.000 0.817 215 K CB 2.147 34.298 32.500 -0.582 0.000 1.208 215 K HN 0.392 nan 8.250 nan 0.000 0.432 216 L N 2.632 123.622 121.223 -0.388 0.000 2.343 216 L HA 0.497 4.832 4.340 -0.009 0.000 0.278 216 L C -1.630 175.162 176.870 -0.131 0.000 0.996 216 L CA -0.331 54.367 54.840 -0.236 0.000 0.831 216 L CB 0.521 42.552 42.059 -0.046 0.000 1.232 216 L HN 0.304 nan 8.230 nan 0.000 0.413 217 F N 2.854 122.829 119.950 0.041 0.000 2.427 217 F HA 0.599 5.120 4.527 -0.009 0.000 0.346 217 F C 0.559 176.392 175.800 0.055 0.000 1.120 217 F CA -0.901 57.112 58.000 0.021 0.000 1.033 217 F CB 1.649 40.625 39.000 -0.040 0.000 1.126 217 F HN 0.531 nan 8.300 nan 0.000 0.462 218 S N 1.509 117.378 115.700 0.282 0.000 2.489 218 S HA 0.516 4.981 4.470 -0.009 0.000 0.291 218 S C -0.621 174.092 174.600 0.188 0.000 1.151 218 S CA -0.905 57.445 58.200 0.250 0.000 1.082 218 S CB 1.906 65.283 63.200 0.294 0.000 1.019 218 S HN 0.688 nan 8.310 nan 0.000 0.492 219 E N 2.952 123.263 120.200 0.185 0.000 2.129 219 E HA 0.192 4.537 4.350 -0.009 0.000 0.268 219 E C -0.158 176.555 176.600 0.189 0.000 0.900 219 E CA -0.769 55.687 56.400 0.094 0.000 0.755 219 E CB 0.539 30.285 29.700 0.076 0.000 1.117 219 E HN 0.910 nan 8.360 nan 0.000 0.410 220 H N 3.268 122.427 119.070 0.147 0.000 2.547 220 H HA 0.488 5.039 4.556 -0.008 0.000 0.362 220 H C -0.805 174.617 175.328 0.157 0.000 1.181 220 H CA -0.670 55.443 56.048 0.108 0.000 1.376 220 H CB 1.314 31.104 29.762 0.047 0.000 1.488 220 H HN 0.387 nan 8.280 nan 0.000 0.583 221 K N 2.638 123.135 120.400 0.162 0.000 2.571 221 K HA 0.092 4.407 4.320 -0.009 0.000 0.252 221 K C 0.646 177.219 176.600 -0.044 0.000 0.956 221 K CA -0.580 55.675 56.287 -0.053 0.000 0.822 221 K CB 2.550 34.934 32.500 -0.192 0.000 1.286 221 K HN 0.718 nan 8.250 nan 0.000 0.439 222 M N 3.377 122.953 119.600 -0.040 0.000 2.108 222 M HA -0.117 4.358 4.480 -0.009 0.000 0.261 222 M C -0.412 175.972 176.300 0.140 0.000 1.066 222 M CA 1.726 57.069 55.300 0.070 0.000 1.107 222 M CB 0.112 32.838 32.600 0.209 0.000 1.356 222 M HN 0.614 nan 8.290 nan 0.000 0.406 223 Y N -2.500 117.760 120.300 -0.067 0.000 2.713 223 Y HA 0.511 5.056 4.550 -0.009 0.000 0.335 223 Y C -1.127 174.726 175.900 -0.079 0.000 1.222 223 Y CA -1.707 56.353 58.100 -0.066 0.000 1.061 223 Y CB 0.284 38.767 38.460 0.039 0.000 1.314 223 Y HN 0.323 nan 8.280 nan 0.000 0.453 224 E N 1.643 121.746 120.200 -0.163 0.000 7.504 224 E HA -0.111 4.233 4.350 -0.009 0.000 0.337 224 E C -2.388 174.114 176.600 -0.164 0.000 0.701 224 E CA 0.456 56.687 56.400 -0.281 0.000 1.302 224 E CB 0.166 29.795 29.700 -0.118 0.000 0.927 224 E HN 0.657 nan 8.360 nan 0.000 0.263 225 P HA -0.024 nan 4.420 nan 0.000 0.229 225 P C 0.255 177.028 177.300 -0.879 0.000 1.160 225 P CA 1.161 63.990 63.100 -0.451 0.000 0.777 225 P CB 0.201 31.800 31.700 -0.168 0.000 0.814 226 A N -0.189 122.288 122.820 -0.572 0.000 2.362 226 A HA 0.386 4.701 4.320 -0.009 0.000 0.276 226 A C -0.029 177.270 177.584 -0.474 0.000 1.153 226 A CA -0.349 51.423 52.037 -0.442 0.000 0.813 226 A CB -0.369 18.519 19.000 -0.187 0.000 1.081 226 A HN -0.035 nan 8.150 nan 0.000 0.507 227 F N 1.197 121.176 119.950 0.049 0.000 2.653 227 F HA 0.196 4.717 4.527 -0.009 0.000 0.304 227 F C 0.943 176.764 175.800 0.036 0.000 1.092 227 F CA 0.084 58.108 58.000 0.039 0.000 1.279 227 F CB -0.146 38.852 39.000 -0.004 0.000 1.044 227 F HN 0.808 nan 8.300 nan 0.000 0.564 228 Y N -0.081 120.249 120.300 0.050 0.000 2.817 228 Y HA 0.356 4.900 4.550 -0.010 0.000 0.257 228 Y C 0.604 176.530 175.900 0.044 0.000 1.055 228 Y CA 0.311 58.433 58.100 0.036 0.000 1.319 228 Y CB 0.182 38.656 38.460 0.024 0.000 1.481 228 Y HN -0.147 nan 8.280 nan 0.000 0.471 229 S N -0.141 115.411 115.700 -0.247 0.000 2.569 229 S HA 0.761 5.226 4.470 -0.009 0.000 0.280 229 S C -1.043 173.464 174.600 -0.155 0.000 1.111 229 S CA -0.396 57.604 58.200 -0.334 0.000 0.887 229 S CB 2.194 65.238 63.200 -0.260 0.000 1.095 229 S HN 0.122 nan 8.310 nan 0.000 0.476 230 T N 2.155 116.583 114.554 -0.209 0.000 2.881 230 T HA 0.411 4.756 4.350 -0.009 0.000 0.290 230 T C 1.178 175.739 174.700 -0.232 0.000 1.000 230 T CA -0.618 61.377 62.100 -0.173 0.000 0.978 230 T CB 1.625 70.407 68.868 -0.143 0.000 0.997 230 T HN 0.515 nan 8.240 nan 0.000 0.443 231 V N 2.821 122.608 119.914 -0.211 0.000 2.233 231 V HA -0.081 4.034 4.120 -0.009 0.000 0.247 231 V C 1.282 177.122 176.094 -0.424 0.000 1.050 231 V CA 1.478 63.610 62.300 -0.281 0.000 1.010 231 V CB -0.218 31.473 31.823 -0.221 0.000 0.637 231 V HN 0.718 nan 8.190 nan 0.000 0.444 232 V N 3.138 122.829 119.914 -0.371 0.000 2.174 232 V HA 0.128 4.243 4.120 -0.009 0.000 0.259 232 V C 1.271 177.277 176.094 -0.148 0.000 1.261 232 V CA 0.001 62.121 62.300 -0.300 0.000 1.137 232 V CB 0.539 32.225 31.823 -0.229 0.000 1.290 232 V HN 0.634 nan 8.190 nan 0.000 0.486 233 Q N 2.133 121.810 119.800 -0.206 0.000 2.212 233 Q HA 0.000 4.335 4.340 -0.009 0.000 0.199 233 Q C 0.174 176.142 176.000 -0.053 0.000 0.950 233 Q CA 1.433 57.157 55.803 -0.132 0.000 0.863 233 Q CB 0.487 29.097 28.738 -0.213 0.000 0.944 233 Q HN 0.774 nan 8.270 nan 0.000 0.465 234 D N -1.973 118.350 120.400 -0.128 0.000 2.752 234 D HA 0.039 4.674 4.640 -0.009 0.000 0.313 234 D C 0.833 176.861 176.300 -0.453 0.000 1.225 234 D CA -0.510 53.369 54.000 -0.202 0.000 0.976 234 D CB -0.891 39.831 40.800 -0.129 0.000 1.443 234 D HN 0.130 nan 8.370 nan 0.000 0.515 235 W N 0.594 121.434 121.300 -0.767 0.000 2.465 235 W HA 0.124 4.780 4.660 -0.006 0.000 0.268 235 W C 1.000 177.399 176.519 -0.200 0.000 1.242 235 W CA 1.049 58.050 57.345 -0.573 0.000 1.248 235 W CB -1.224 28.014 29.460 -0.371 0.000 1.118 235 W HN 0.444 nan 8.180 nan 0.000 0.587 236 G N 1.578 109.789 108.800 -0.981 0.000 2.404 236 G HA2 -0.246 3.709 3.960 -0.009 0.000 0.215 236 G HA3 -0.246 3.709 3.960 -0.009 0.000 0.215 236 G C 1.503 176.154 174.900 -0.415 0.000 1.174 236 G CA 2.013 46.562 45.100 -0.918 0.000 0.780 236 G HN 0.283 nan 8.290 nan 0.000 0.537 237 T N 0.988 115.326 114.554 -0.360 0.000 2.788 237 T HA -0.126 4.219 4.350 -0.009 0.000 0.268 237 T C 2.344 176.989 174.700 -0.091 0.000 1.044 237 T CA 1.222 63.141 62.100 -0.302 0.000 1.139 237 T CB -0.262 68.312 68.868 -0.490 0.000 0.867 237 T HN 0.214 nan 8.240 nan 0.000 0.454 238 N N 0.465 119.134 118.700 -0.053 0.000 2.120 238 N HA -0.110 4.625 4.740 -0.009 0.000 0.188 238 N C 1.564 177.153 175.510 0.132 0.000 1.024 238 N CA 1.143 54.258 53.050 0.108 0.000 0.852 238 N CB -0.441 38.177 38.487 0.218 0.000 1.003 238 N HN 0.481 nan 8.380 nan 0.000 0.424 239 Y N 1.181 121.475 120.300 -0.010 0.000 2.181 239 Y HA -0.051 4.493 4.550 -0.009 0.000 0.288 239 Y C 2.167 178.074 175.900 0.011 0.000 1.146 239 Y CA 1.347 59.450 58.100 0.005 0.000 1.164 239 Y CB -0.401 37.989 38.460 -0.117 0.000 0.982 239 Y HN 0.039 nan 8.280 nan 0.000 0.515 240 L N -0.467 120.749 121.223 -0.012 0.000 2.079 240 L HA -0.257 4.078 4.340 -0.009 0.000 0.210 240 L C 2.375 179.249 176.870 0.006 0.000 1.081 240 L CA 1.521 56.361 54.840 -0.001 0.000 0.752 240 L CB -0.598 41.559 42.059 0.163 0.000 0.896 240 L HN 0.286 nan 8.230 nan 0.000 0.433 241 I N -0.184 120.462 120.570 0.125 0.000 2.142 241 I HA -0.279 3.886 4.170 -0.009 0.000 0.240 241 I C 2.844 178.969 176.117 0.014 0.000 1.078 241 I CA 1.250 62.638 61.300 0.146 0.000 1.343 241 I CB -0.511 37.674 38.000 0.309 0.000 1.046 241 I HN 0.186 nan 8.210 nan 0.000 0.405 242 A N 0.074 122.882 122.820 -0.019 0.000 1.883 242 A HA -0.302 4.013 4.320 -0.009 0.000 0.217 242 A C 2.246 179.742 177.584 -0.148 0.000 1.186 242 A CA 2.058 54.069 52.037 -0.042 0.000 0.624 242 A CB -0.696 18.296 19.000 -0.013 0.000 0.822 242 A HN 0.412 nan 8.150 nan 0.000 0.444 243 Q N -0.583 119.014 119.800 -0.339 0.000 2.119 243 Q HA -0.093 4.242 4.340 -0.009 0.000 0.201 243 Q C 2.044 177.934 176.000 -0.183 0.000 0.972 243 Q CA 2.346 57.963 55.803 -0.310 0.000 0.847 243 Q CB -0.704 27.734 28.738 -0.500 0.000 0.903 243 Q HN 0.607 nan 8.270 nan 0.000 0.433 244 T N 0.423 114.875 114.554 -0.171 0.000 2.777 244 T HA -0.044 4.301 4.350 -0.009 0.000 0.266 244 T C 1.653 176.226 174.700 -0.212 0.000 1.040 244 T CA 1.186 63.191 62.100 -0.158 0.000 1.141 244 T CB -0.169 68.611 68.868 -0.147 0.000 0.868 244 T HN 0.210 nan 8.240 nan 0.000 0.444 245 L N 0.124 121.209 121.223 -0.231 0.000 2.056 245 L HA 0.220 4.555 4.340 -0.009 0.000 0.207 245 L C 1.501 177.957 176.870 -0.690 0.000 1.078 245 L CA 0.822 55.404 54.840 -0.430 0.000 0.749 245 L CB -0.620 41.283 42.059 -0.261 0.000 0.901 245 L HN 0.514 nan 8.230 nan 0.000 0.433 246 G N -2.159 106.454 108.800 -0.311 0.000 2.369 246 G HA2 -0.039 3.916 3.960 -0.009 0.000 0.307 246 G HA3 -0.039 3.916 3.960 -0.009 0.000 0.307 246 G C -2.512 172.460 174.900 0.120 0.000 1.327 246 G CA -0.240 44.773 45.100 -0.146 0.000 0.963 246 G HN -0.208 nan 8.290 nan 0.000 0.590 247 P HA -0.086 nan 4.420 nan 0.000 0.219 247 P C 1.196 178.607 177.300 0.184 0.000 1.146 247 P CA 1.240 64.435 63.100 0.159 0.000 0.808 247 P CB 0.112 31.888 31.700 0.127 0.000 0.779 248 K N -0.514 120.043 120.400 0.261 0.000 2.432 248 K HA 0.173 4.488 4.320 -0.009 0.000 0.196 248 K C 1.050 177.729 176.600 0.132 0.000 1.038 248 K CA 0.098 56.444 56.287 0.098 0.000 0.986 248 K CB 0.070 32.449 32.500 -0.203 0.000 0.782 248 K HN 0.085 nan 8.250 nan 0.000 0.485 249 A N 1.766 124.766 122.820 0.299 0.000 2.274 249 A HA 0.323 4.638 4.320 -0.009 0.000 0.309 249 A C -0.546 177.159 177.584 0.202 0.000 1.226 249 A CA -0.414 51.767 52.037 0.240 0.000 0.853 249 A CB 0.559 19.720 19.000 0.268 0.000 1.146 249 A HN 0.106 nan 8.150 nan 0.000 0.518 250 Q N 0.414 120.373 119.800 0.265 0.000 2.544 250 Q HA 0.478 4.813 4.340 -0.009 0.000 0.291 250 Q C -1.363 174.791 176.000 0.257 0.000 1.068 250 Q CA -0.849 55.113 55.803 0.265 0.000 0.785 250 Q CB 2.154 31.072 28.738 0.301 0.000 1.481 250 Q HN 0.765 nan 8.270 nan 0.000 0.430 251 C N 1.377 120.765 119.300 0.147 0.000 2.350 251 C HA 0.611 5.066 4.460 -0.009 0.000 0.348 251 C C -0.177 174.747 174.990 -0.110 0.000 1.260 251 C CA -0.662 58.419 59.018 0.105 0.000 1.966 251 C CB -0.358 27.497 27.740 0.192 0.000 2.380 251 C HN 0.640 nan 8.230 nan 0.000 0.535 252 L N 3.466 124.601 121.223 -0.146 0.000 2.296 252 L HA 0.673 5.008 4.340 -0.009 0.000 0.286 252 L C -0.746 175.894 176.870 -0.383 0.000 1.023 252 L CA -0.102 54.495 54.840 -0.407 0.000 0.812 252 L CB 1.038 42.830 42.059 -0.446 0.000 1.223 252 L HN 0.553 nan 8.230 nan 0.000 0.421 253 V N 4.351 123.978 119.914 -0.477 0.000 2.333 253 V HA 0.291 4.406 4.120 -0.009 0.000 0.274 253 V C -0.377 175.540 176.094 -0.295 0.000 1.028 253 V CA -0.565 61.539 62.300 -0.325 0.000 0.851 253 V CB 1.210 32.878 31.823 -0.259 0.000 1.000 253 V HN 0.660 nan 8.190 nan 0.000 0.456 254 D N 4.387 124.564 120.400 -0.372 0.000 2.329 254 D HA 0.302 4.937 4.640 -0.009 0.000 0.232 254 D C 1.126 177.341 176.300 -0.142 0.000 1.088 254 D CA -0.370 53.396 54.000 -0.390 0.000 0.835 254 D CB 1.763 41.962 40.800 -1.001 0.000 1.078 254 D HN 0.376 nan 8.370 nan 0.000 0.495 255 L N 2.956 124.193 121.223 0.024 0.000 2.051 255 L HA -0.153 4.182 4.340 -0.009 0.000 0.214 255 L C 2.113 179.128 176.870 0.243 0.000 1.076 255 L CA 1.651 56.590 54.840 0.165 0.000 0.758 255 L CB -0.358 41.782 42.059 0.136 0.000 0.890 255 L HN 0.483 nan 8.230 nan 0.000 0.433 256 G N -2.433 106.446 108.800 0.131 0.000 3.181 256 G HA2 -0.051 3.904 3.960 -0.009 0.000 0.219 256 G HA3 -0.051 3.904 3.960 -0.009 0.000 0.219 256 G C 0.793 175.854 174.900 0.268 0.000 1.182 256 G CA -0.236 44.983 45.100 0.199 0.000 0.791 256 G HN 0.542 nan 8.290 nan 0.000 0.537 257 H N -0.487 118.544 119.070 -0.064 0.000 2.507 257 H HA 0.195 4.746 4.556 -0.008 0.000 0.294 257 H C -0.132 174.983 175.328 -0.355 0.000 1.064 257 H CA -0.471 55.418 56.048 -0.264 0.000 1.138 257 H CB 0.465 29.995 29.762 -0.387 0.000 1.515 257 H HN 0.402 nan 8.280 nan 0.000 0.547 258 H N -0.268 118.934 119.070 0.221 0.000 2.616 258 H HA 0.482 5.033 4.556 -0.008 0.000 0.353 258 H C -0.043 175.395 175.328 0.183 0.000 1.170 258 H CA -0.574 55.596 56.048 0.203 0.000 1.212 258 H CB 1.101 30.966 29.762 0.171 0.000 1.653 258 H HN 0.255 nan 8.280 nan 0.000 0.537 259 A N 2.123 125.110 122.820 0.278 0.000 2.448 259 A HA 0.230 4.545 4.320 -0.009 0.000 0.239 259 A C -2.136 175.557 177.584 0.181 0.000 1.080 259 A CA -0.999 51.162 52.037 0.207 0.000 0.779 259 A CB -0.591 18.497 19.000 0.147 0.000 1.026 259 A HN 0.539 nan 8.150 nan 0.000 0.499 260 P HA 0.090 nan 4.420 nan 0.000 0.265 260 P C -0.012 177.340 177.300 0.088 0.000 1.193 260 P CA 0.552 63.721 63.100 0.115 0.000 0.765 260 P CB 0.239 31.998 31.700 0.098 0.000 0.823 261 N N -1.290 117.453 118.700 0.071 0.000 2.936 261 N HA -0.134 4.601 4.740 -0.009 0.000 0.236 261 N C -0.385 175.149 175.510 0.041 0.000 0.930 261 N CA 1.164 54.243 53.050 0.048 0.000 0.966 261 N CB -2.363 36.149 38.487 0.041 0.000 1.090 261 N HN 0.383 nan 8.380 nan 0.000 0.592 262 T N 1.644 116.235 114.554 0.061 0.000 2.946 262 T HA -0.029 4.316 4.350 -0.009 0.000 0.311 262 T C 0.797 175.481 174.700 -0.026 0.000 1.063 262 T CA -0.037 62.087 62.100 0.040 0.000 1.139 262 T CB 0.562 69.485 68.868 0.091 0.000 0.994 262 T HN 0.154 nan 8.240 nan 0.000 0.547 263 N N 2.991 121.660 118.700 -0.051 0.000 2.602 263 N HA 0.125 4.860 4.740 -0.009 0.000 0.238 263 N C 1.017 176.425 175.510 -0.171 0.000 1.084 263 N CA -0.184 52.811 53.050 -0.091 0.000 0.952 263 N CB 0.012 38.454 38.487 -0.075 0.000 1.244 263 N HN 0.555 nan 8.380 nan 0.000 0.512 264 I N 1.832 122.275 120.570 -0.211 0.000 2.315 264 I HA -0.232 3.933 4.170 -0.009 0.000 0.248 264 I C 2.223 178.196 176.117 -0.239 0.000 1.117 264 I CA 0.766 61.873 61.300 -0.322 0.000 1.404 264 I CB -0.016 37.779 38.000 -0.341 0.000 1.071 264 I HN 0.532 nan 8.210 nan 0.000 0.419 265 E N 1.521 121.616 120.200 -0.175 0.000 2.204 265 E HA -0.299 4.046 4.350 -0.009 0.000 0.195 265 E C 2.087 178.585 176.600 -0.170 0.000 0.990 265 E CA 1.381 57.691 56.400 -0.151 0.000 0.821 265 E CB -0.638 28.968 29.700 -0.158 0.000 0.750 265 E HN 0.580 nan 8.360 nan 0.000 0.477 266 M N 0.783 120.266 119.600 -0.195 0.000 2.200 266 M HA -0.040 4.435 4.480 -0.009 0.000 0.265 266 M C 2.263 178.355 176.300 -0.347 0.000 1.066 266 M CA 1.182 56.356 55.300 -0.211 0.000 1.127 266 M CB -0.037 32.461 32.600 -0.171 0.000 1.379 266 M HN 0.008 nan 8.290 nan 0.000 0.420 267 I N -0.264 120.017 120.570 -0.483 0.000 2.208 267 I HA -0.281 3.884 4.170 -0.009 0.000 0.245 267 I C 2.221 178.014 176.117 -0.541 0.000 1.097 267 I CA 1.084 61.879 61.300 -0.842 0.000 1.363 267 I CB -0.473 37.043 38.000 -0.806 0.000 1.051 267 I HN 0.162 nan 8.210 nan 0.000 0.413 268 V N 1.070 120.816 119.914 -0.280 0.000 2.287 268 V HA -0.330 3.785 4.120 -0.009 0.000 0.248 268 V C 2.740 178.778 176.094 -0.094 0.000 1.053 268 V CA 2.100 64.332 62.300 -0.113 0.000 1.027 268 V CB -1.050 30.809 31.823 0.060 0.000 0.646 268 V HN 0.515 nan 8.190 nan 0.000 0.447 269 A N -0.168 122.578 122.820 -0.124 0.000 1.908 269 A HA -0.218 4.097 4.320 -0.009 0.000 0.218 269 A C 2.362 179.909 177.584 -0.061 0.000 1.181 269 A CA 1.647 53.630 52.037 -0.090 0.000 0.627 269 A CB -0.475 18.464 19.000 -0.101 0.000 0.818 269 A HN 0.419 nan 8.150 nan 0.000 0.445 270 R N -0.439 119.978 120.500 -0.138 0.000 2.073 270 R HA -0.052 4.283 4.340 -0.009 0.000 0.234 270 R C 2.121 178.502 176.300 0.134 0.000 1.134 270 R CA 1.354 57.435 56.100 -0.032 0.000 0.952 270 R CB -1.041 29.073 30.300 -0.311 0.000 0.850 270 R HN 0.593 nan 8.270 nan 0.000 0.433 271 L N 0.359 121.590 121.223 0.012 0.000 2.083 271 L HA -0.135 4.200 4.340 -0.009 0.000 0.209 271 L C 2.471 179.465 176.870 0.206 0.000 1.083 271 L CA 1.033 55.977 54.840 0.173 0.000 0.752 271 L CB -0.376 41.733 42.059 0.083 0.000 0.899 271 L HN 0.114 nan 8.230 nan 0.000 0.433 272 I N -0.601 120.050 120.570 0.134 0.000 2.202 272 I HA -0.323 3.842 4.170 -0.009 0.000 0.242 272 I C 2.707 178.892 176.117 0.114 0.000 1.091 272 I CA 1.281 62.676 61.300 0.158 0.000 1.368 272 I CB -0.295 37.759 38.000 0.089 0.000 1.058 272 I HN 0.382 nan 8.210 nan 0.000 0.410 273 Q N 0.858 120.699 119.800 0.067 0.000 2.135 273 Q HA -0.208 4.127 4.340 -0.009 0.000 0.204 273 Q C 1.473 177.339 176.000 -0.224 0.000 0.981 273 Q CA 1.862 57.613 55.803 -0.087 0.000 0.856 273 Q CB 0.006 28.677 28.738 -0.111 0.000 0.902 273 Q HN 0.466 nan 8.270 nan 0.000 0.425 274 F N -0.688 119.323 119.950 0.102 0.000 2.645 274 F HA 0.311 4.834 4.527 -0.007 0.000 0.300 274 F C 1.202 177.124 175.800 0.204 0.000 1.115 274 F CA 0.338 58.436 58.000 0.163 0.000 1.355 274 F CB 0.715 39.831 39.000 0.193 0.000 1.026 274 F HN 0.186 nan 8.300 nan 0.000 0.536 275 G N 0.871 109.822 108.800 0.251 0.000 2.283 275 G HA2 -0.323 3.632 3.960 -0.009 0.000 0.280 275 G HA3 -0.323 3.632 3.960 -0.009 0.000 0.280 275 G C 0.985 176.026 174.900 0.235 0.000 1.029 275 G CA 0.224 45.456 45.100 0.220 0.000 0.840 275 G HN 0.246 nan 8.290 nan 0.000 0.505 276 K N -0.902 119.661 120.400 0.273 0.000 2.506 276 K HA 0.266 4.581 4.320 -0.009 0.000 0.204 276 K C 0.574 177.260 176.600 0.144 0.000 1.045 276 K CA -0.559 55.870 56.287 0.237 0.000 1.074 276 K CB 0.639 33.339 32.500 0.333 0.000 0.842 276 K HN 0.386 nan 8.250 nan 0.000 0.514 277 L N 1.347 122.619 121.223 0.081 0.000 2.356 277 L HA 0.261 4.596 4.340 -0.009 0.000 0.282 277 L C 1.179 177.923 176.870 -0.210 0.000 1.132 277 L CA 0.202 54.989 54.840 -0.087 0.000 0.923 277 L CB 0.480 42.504 42.059 -0.058 0.000 1.278 277 L HN 0.225 nan 8.230 nan 0.000 0.436 278 G N 2.820 111.451 108.800 -0.282 0.000 2.408 278 G HA2 0.362 4.317 3.960 -0.009 0.000 0.217 278 G HA3 0.362 4.317 3.960 -0.009 0.000 0.217 278 G C 0.603 174.919 174.900 -0.973 0.000 1.150 278 G CA 0.683 45.480 45.100 -0.505 0.000 0.776 278 G HN 0.946 nan 8.290 nan 0.000 0.542 279 G N -2.049 106.183 108.800 -0.947 0.000 2.321 279 G HA2 0.459 4.414 3.960 -0.009 0.000 0.296 279 G HA3 0.459 4.414 3.960 -0.009 0.000 0.296 279 G C -1.903 172.448 174.900 -0.916 0.000 1.287 279 G CA -1.040 43.530 45.100 -0.884 0.000 0.846 279 G HN 0.046 nan 8.290 nan 0.000 0.508 280 F N -0.371 119.270 119.950 -0.514 0.000 2.577 280 F HA 0.623 5.146 4.527 -0.008 0.000 0.318 280 F C 0.170 175.761 175.800 -0.349 0.000 1.065 280 F CA -0.541 57.118 58.000 -0.567 0.000 0.929 280 F CB 2.623 41.021 39.000 -1.003 0.000 1.237 280 F HN 0.377 nan 8.300 nan 0.000 0.468 281 H N 2.235 121.128 119.070 -0.295 0.000 2.887 281 H HA 0.319 4.870 4.556 -0.008 0.000 0.300 281 H C -1.184 174.031 175.328 -0.188 0.000 1.038 281 H CA -0.730 55.211 56.048 -0.178 0.000 1.352 281 H CB 0.933 30.582 29.762 -0.187 0.000 1.473 281 H HN 0.336 nan 8.280 nan 0.000 0.503 282 F N 3.171 123.222 119.950 0.168 0.000 2.399 282 F HA 0.165 4.688 4.527 -0.008 0.000 0.342 282 F C 0.572 176.411 175.800 0.064 0.000 1.106 282 F CA -0.135 57.933 58.000 0.113 0.000 1.196 282 F CB 0.939 40.012 39.000 0.122 0.000 1.163 282 F HN 0.706 nan 8.300 nan 0.000 0.547 283 N N -0.595 118.273 118.700 0.281 0.000 3.717 283 N HA 0.283 5.018 4.740 -0.009 0.000 0.239 283 N C -2.245 173.365 175.510 0.167 0.000 1.388 283 N CA -1.000 52.155 53.050 0.175 0.000 0.828 283 N CB 0.890 39.443 38.487 0.110 0.000 1.468 283 N HN 0.310 nan 8.380 nan 0.000 0.445 284 D N -1.439 119.043 120.400 0.137 0.000 2.493 284 D HA 0.821 5.456 4.640 -0.009 0.000 0.239 284 D C -1.188 175.181 176.300 0.115 0.000 1.049 284 D CA -0.073 54.001 54.000 0.124 0.000 1.008 284 D CB 2.062 42.929 40.800 0.111 0.000 1.398 284 D HN 0.809 nan 8.370 nan 0.000 0.513 285 S N -0.213 115.546 115.700 0.098 0.000 2.595 285 S HA 0.405 4.870 4.470 -0.009 0.000 0.270 285 S C -0.076 174.538 174.600 0.024 0.000 1.145 285 S CA -0.778 57.477 58.200 0.092 0.000 0.825 285 S CB 2.425 65.698 63.200 0.123 0.000 1.107 285 S HN 0.472 nan 8.310 nan 0.000 0.461 286 K N -0.880 119.494 120.400 -0.043 0.000 2.504 286 K HA 0.342 4.657 4.320 -0.009 0.000 0.203 286 K C 0.172 176.504 176.600 -0.446 0.000 1.350 286 K CA 0.009 56.111 56.287 -0.308 0.000 0.953 286 K CB 0.177 32.351 32.500 -0.544 0.000 1.243 286 K HN 0.674 nan 8.250 nan 0.000 0.534 287 Y N -0.687 119.681 120.300 0.113 0.000 2.569 287 Y HA 0.401 4.946 4.550 -0.009 0.000 0.278 287 Y C 1.449 177.450 175.900 0.167 0.000 1.130 287 Y CA 0.281 58.456 58.100 0.124 0.000 1.280 287 Y CB 0.285 38.812 38.460 0.113 0.000 1.379 287 Y HN 0.096 nan 8.280 nan 0.000 0.508 288 G N -0.961 108.046 108.800 0.345 0.000 3.291 288 G HA2 0.179 4.134 3.960 -0.009 0.000 0.173 288 G HA3 0.179 4.134 3.960 -0.009 0.000 0.173 288 G C -1.280 173.725 174.900 0.175 0.000 1.099 288 G CA -0.287 44.989 45.100 0.294 0.000 0.794 288 G HN -0.033 nan 8.290 nan 0.000 0.651 289 D N 0.643 121.085 120.400 0.070 0.000 2.713 289 D HA 0.226 4.861 4.640 -0.009 0.000 0.229 289 D C 0.521 176.889 176.300 0.113 0.000 1.136 289 D CA -0.340 53.703 54.000 0.073 0.000 1.010 289 D CB -0.008 40.757 40.800 -0.060 0.000 1.084 289 D HN 0.143 nan 8.370 nan 0.000 0.495 290 D N 1.001 121.494 120.400 0.153 0.000 2.264 290 D HA -0.135 4.500 4.640 -0.009 0.000 0.208 290 D C 0.317 176.713 176.300 0.160 0.000 0.966 290 D CA 0.481 54.581 54.000 0.166 0.000 0.864 290 D CB -0.009 40.907 40.800 0.193 0.000 0.933 290 D HN 0.421 nan 8.370 nan 0.000 0.499 291 D N -0.098 120.395 120.400 0.155 0.000 2.751 291 D HA -0.176 4.459 4.640 -0.009 0.000 0.233 291 D C 0.019 176.382 176.300 0.105 0.000 1.149 291 D CA 0.371 54.461 54.000 0.149 0.000 0.682 291 D CB -1.230 39.731 40.800 0.269 0.000 1.068 291 D HN 0.323 nan 8.370 nan 0.000 0.429 292 L N 0.043 121.336 121.223 0.116 0.000 2.468 292 L HA 0.215 4.550 4.340 -0.009 0.000 0.254 292 L C 0.952 177.895 176.870 0.121 0.000 1.171 292 L CA -0.664 54.247 54.840 0.117 0.000 0.809 292 L CB 0.400 42.534 42.059 0.125 0.000 1.155 292 L HN -0.190 nan 8.230 nan 0.000 0.473 293 D N 1.309 121.796 120.400 0.146 0.000 2.531 293 D HA 0.188 4.823 4.640 -0.009 0.000 0.239 293 D C 0.172 176.541 176.300 0.116 0.000 1.144 293 D CA 0.253 54.342 54.000 0.147 0.000 0.869 293 D CB 0.626 41.503 40.800 0.128 0.000 1.160 293 D HN 0.581 nan 8.370 nan 0.000 0.484 294 A N 2.267 125.156 122.820 0.115 0.000 2.567 294 A HA 0.419 4.733 4.320 -0.009 0.000 0.240 294 A C 1.683 179.317 177.584 0.082 0.000 1.053 294 A CA 0.469 52.574 52.037 0.112 0.000 0.755 294 A CB -0.335 18.726 19.000 0.102 0.000 0.978 294 A HN 0.996 nan 8.150 nan 0.000 0.507 295 G N 0.993 109.852 108.800 0.098 0.000 2.189 295 G HA2 -0.085 3.870 3.960 -0.009 0.000 0.267 295 G HA3 -0.085 3.870 3.960 -0.009 0.000 0.267 295 G C 1.136 176.086 174.900 0.082 0.000 0.975 295 G CA 1.183 46.338 45.100 0.092 0.000 0.644 295 G HN 2.062 nan 8.290 nan 0.000 0.537 296 A N -0.541 122.326 122.820 0.078 0.000 2.066 296 A HA 0.432 4.747 4.320 -0.009 0.000 0.218 296 A C 2.190 179.815 177.584 0.068 0.000 1.157 296 A CA 1.865 53.944 52.037 0.069 0.000 0.670 296 A CB -0.150 18.895 19.000 0.075 0.000 0.804 296 A HN 0.523 nan 8.150 nan 0.000 0.453 297 I N -1.525 119.088 120.570 0.072 0.000 3.366 297 I HA 0.148 4.313 4.170 -0.009 0.000 0.267 297 I C 0.356 176.510 176.117 0.061 0.000 1.149 297 I CA 0.723 62.058 61.300 0.057 0.000 1.436 297 I CB -0.808 37.219 38.000 0.044 0.000 1.379 297 I HN 0.217 nan 8.210 nan 0.000 0.460 298 E N 2.379 122.626 120.200 0.078 0.000 3.108 298 E HA 0.194 4.539 4.350 -0.009 0.000 0.228 298 E C -1.781 174.896 176.600 0.128 0.000 1.176 298 E CA -1.445 55.010 56.400 0.092 0.000 0.881 298 E CB 1.755 31.497 29.700 0.071 0.000 1.354 298 E HN 0.125 nan 8.360 nan 0.000 0.400 299 P HA -0.209 nan 4.420 nan 0.000 0.218 299 P C 1.196 178.664 177.300 0.281 0.000 1.149 299 P CA 0.965 64.204 63.100 0.231 0.000 0.817 299 P CB 0.239 32.096 31.700 0.261 0.000 0.785 300 Y N 1.853 122.142 120.300 -0.018 0.000 2.242 300 Y HA -0.108 4.437 4.550 -0.008 0.000 0.291 300 Y C 2.874 178.738 175.900 -0.060 0.000 1.137 300 Y CA 1.169 59.071 58.100 -0.330 0.000 1.181 300 Y CB -0.851 37.337 38.460 -0.453 0.000 0.989 300 Y HN -0.212 nan 8.280 nan 0.000 0.527 301 R N -0.343 120.159 120.500 0.003 0.000 2.091 301 R HA -0.188 4.147 4.340 -0.009 0.000 0.238 301 R C 2.152 178.440 176.300 -0.020 0.000 1.136 301 R CA 1.701 57.765 56.100 -0.060 0.000 0.959 301 R CB -0.646 29.657 30.300 0.004 0.000 0.856 301 R HN 0.409 nan 8.270 nan 0.000 0.437 302 L N 0.452 121.727 121.223 0.087 0.000 2.046 302 L HA -0.108 4.227 4.340 -0.009 0.000 0.208 302 L C 1.994 178.988 176.870 0.206 0.000 1.077 302 L CA 1.657 56.593 54.840 0.160 0.000 0.747 302 L CB -0.745 41.428 42.059 0.190 0.000 0.896 302 L HN 0.273 nan 8.230 nan 0.000 0.432 303 F N -0.453 119.516 119.950 0.032 0.000 2.134 303 F HA -0.189 4.333 4.527 -0.008 0.000 0.299 303 F C 1.991 177.747 175.800 -0.074 0.000 1.097 303 F CA 1.658 59.676 58.000 0.030 0.000 1.264 303 F CB -0.329 38.693 39.000 0.038 0.000 1.001 303 F HN 0.041 nan 8.300 nan 0.000 0.479 304 L N -0.508 120.492 121.223 -0.371 0.000 2.131 304 L HA -0.190 4.145 4.340 -0.009 0.000 0.210 304 L C 2.368 179.037 176.870 -0.334 0.000 1.092 304 L CA 0.754 55.304 54.840 -0.483 0.000 0.759 304 L CB -0.792 41.012 42.059 -0.425 0.000 0.903 304 L HN 0.080 nan 8.230 nan 0.000 0.435 305 V N -0.716 119.066 119.914 -0.220 0.000 2.307 305 V HA -0.261 3.854 4.120 -0.009 0.000 0.245 305 V C 2.190 178.114 176.094 -0.283 0.000 1.045 305 V CA 1.781 63.952 62.300 -0.216 0.000 1.024 305 V CB -0.507 31.190 31.823 -0.211 0.000 0.651 305 V HN 0.224 nan 8.190 nan 0.000 0.449 306 F N 0.869 120.683 119.950 -0.227 0.000 2.365 306 F HA -0.118 4.404 4.527 -0.008 0.000 0.300 306 F C 2.251 177.898 175.800 -0.255 0.000 1.090 306 F CA 1.652 59.538 58.000 -0.191 0.000 1.408 306 F CB -0.570 38.316 39.000 -0.190 0.000 1.060 306 F HN 0.249 nan 8.300 nan 0.000 0.534 307 N N 0.308 118.813 118.700 -0.325 0.000 2.166 307 N HA -0.179 4.556 4.740 -0.009 0.000 0.186 307 N C 1.725 177.120 175.510 -0.192 0.000 1.019 307 N CA 1.434 54.262 53.050 -0.371 0.000 0.856 307 N CB -0.092 38.056 38.487 -0.565 0.000 0.993 307 N HN 0.065 nan 8.380 nan 0.000 0.426 308 E N 0.228 120.324 120.200 -0.172 0.000 2.106 308 E HA -0.071 4.274 4.350 -0.009 0.000 0.192 308 E C 2.075 178.616 176.600 -0.098 0.000 0.984 308 E CA 0.504 56.829 56.400 -0.125 0.000 0.806 308 E CB -0.229 29.409 29.700 -0.103 0.000 0.750 308 E HN 0.489 nan 8.360 nan 0.000 0.458 309 L N 0.222 121.434 121.223 -0.018 0.000 2.056 309 L HA -0.122 4.213 4.340 -0.009 0.000 0.207 309 L C 2.478 179.410 176.870 0.102 0.000 1.078 309 L CA 0.716 55.639 54.840 0.138 0.000 0.749 309 L CB -0.441 41.778 42.059 0.266 0.000 0.901 309 L HN -0.025 nan 8.230 nan 0.000 0.433 310 V N -0.178 119.803 119.914 0.112 0.000 2.548 310 V HA -0.263 3.852 4.120 -0.009 0.000 0.249 310 V C 2.111 178.192 176.094 -0.022 0.000 1.055 310 V CA 1.907 64.264 62.300 0.095 0.000 1.065 310 V CB -0.412 31.436 31.823 0.042 0.000 0.681 310 V HN 0.447 nan 8.190 nan 0.000 0.462 311 D N 0.535 120.885 120.400 -0.084 0.000 2.117 311 D HA -0.124 4.511 4.640 -0.009 0.000 0.198 311 D C 2.152 178.351 176.300 -0.169 0.000 0.982 311 D CA 1.442 55.377 54.000 -0.108 0.000 0.828 311 D CB -0.102 40.631 40.800 -0.111 0.000 0.967 311 D HN 0.348 nan 8.370 nan 0.000 0.464 312 A N 0.371 123.003 122.820 -0.313 0.000 1.940 312 A HA -0.207 4.108 4.320 -0.009 0.000 0.219 312 A C 2.072 179.419 177.584 -0.394 0.000 1.176 312 A CA 1.777 53.500 52.037 -0.523 0.000 0.631 312 A CB -0.615 17.665 19.000 -1.201 0.000 0.814 312 A HN 0.369 nan 8.150 nan 0.000 0.446 313 E N -0.146 119.904 120.200 -0.250 0.000 2.047 313 E HA -0.042 4.303 4.350 -0.009 0.000 0.191 313 E C 2.348 178.956 176.600 0.012 0.000 0.987 313 E CA 0.847 57.259 56.400 0.020 0.000 0.799 313 E CB -0.364 29.447 29.700 0.186 0.000 0.752 313 E HN 0.585 nan 8.360 nan 0.000 0.449 314 A N 2.292 125.104 122.820 -0.013 0.000 1.948 314 A HA -0.241 4.074 4.320 -0.009 0.000 0.220 314 A C 2.084 179.657 177.584 -0.018 0.000 1.177 314 A CA 1.917 53.948 52.037 -0.010 0.000 0.636 314 A CB -0.684 18.302 19.000 -0.023 0.000 0.815 314 A HN 0.280 nan 8.150 nan 0.000 0.449 315 R N -0.974 119.500 120.500 -0.043 0.000 2.388 315 R HA 0.360 4.695 4.340 -0.009 0.000 0.247 315 R C 0.887 177.173 176.300 -0.024 0.000 0.931 315 R CA 0.442 56.520 56.100 -0.038 0.000 1.082 315 R CB -0.837 29.430 30.300 -0.056 0.000 1.135 315 R HN 0.679 nan 8.270 nan 0.000 0.525 316 G N 1.639 110.436 108.800 -0.005 0.000 2.393 316 G HA2 -0.262 3.693 3.960 -0.009 0.000 0.299 316 G HA3 -0.262 3.693 3.960 -0.009 0.000 0.299 316 G C 0.111 175.027 174.900 0.027 0.000 0.990 316 G CA 0.308 45.425 45.100 0.028 0.000 1.118 316 G HN 0.225 nan 8.290 nan 0.000 0.513 317 V N 1.197 121.111 119.914 -0.001 0.000 2.599 317 V HA 0.144 4.259 4.120 -0.009 0.000 0.300 317 V C 1.384 177.538 176.094 0.099 0.000 1.034 317 V CA 0.586 62.892 62.300 0.009 0.000 1.115 317 V CB 0.683 32.466 31.823 -0.067 0.000 0.934 317 V HN 0.785 nan 8.190 nan 0.000 0.485 318 K N 3.970 124.414 120.400 0.074 0.000 2.436 318 K HA 0.402 4.716 4.320 -0.009 0.000 0.275 318 K C 0.975 177.657 176.600 0.138 0.000 0.999 318 K CA 0.274 56.617 56.287 0.093 0.000 0.980 318 K CB 0.265 32.799 32.500 0.057 0.000 0.919 318 K HN 1.055 nan 8.250 nan 0.000 0.484 319 G N 2.147 111.032 108.800 0.143 0.000 2.166 319 G HA2 -0.322 3.633 3.960 -0.009 0.000 0.260 319 G HA3 -0.322 3.633 3.960 -0.009 0.000 0.260 319 G C -0.401 174.628 174.900 0.214 0.000 0.986 319 G CA 0.319 45.512 45.100 0.154 0.000 0.683 319 G HN 0.703 nan 8.290 nan 0.000 0.527 320 F N 2.010 122.021 119.950 0.101 0.000 2.421 320 F HA 0.619 5.141 4.527 -0.009 0.000 0.358 320 F C 0.474 176.397 175.800 0.205 0.000 1.115 320 F CA -0.527 57.546 58.000 0.123 0.000 1.160 320 F CB 0.434 39.497 39.000 0.105 0.000 1.123 320 F HN 0.265 nan 8.300 nan 0.000 0.508 321 H N 7.577 126.301 119.070 -0.576 0.000 3.287 321 H HA 0.172 4.723 4.556 -0.009 0.000 0.279 321 H C -2.877 172.193 175.328 -0.431 0.000 1.357 321 H CA -1.172 54.586 56.048 -0.484 0.000 1.444 321 H CB 0.748 30.407 29.762 -0.172 0.000 2.345 321 H HN 0.465 nan 8.280 nan 0.000 0.651 322 P HA 0.272 nan 4.420 nan 0.000 0.275 322 P C -0.173 176.665 177.300 -0.770 0.000 1.228 322 P CA -0.340 62.372 63.100 -0.647 0.000 0.786 322 P CB 1.641 33.038 31.700 -0.504 0.000 0.927 323 A N 2.873 125.304 122.820 -0.649 0.000 2.316 323 A HA 0.402 4.716 4.320 -0.009 0.000 0.284 323 A C -0.491 176.804 177.584 -0.482 0.000 1.115 323 A CA -0.346 51.406 52.037 -0.474 0.000 0.812 323 A CB -0.156 18.686 19.000 -0.263 0.000 1.064 323 A HN 0.701 nan 8.150 nan 0.000 0.489 324 H N 0.297 119.368 119.070 0.001 0.000 2.505 324 H HA 0.647 5.198 4.556 -0.008 0.000 0.338 324 H C -0.481 174.959 175.328 0.187 0.000 1.057 324 H CA -0.146 56.023 56.048 0.201 0.000 1.202 324 H CB 1.557 31.475 29.762 0.260 0.000 1.466 324 H HN 0.657 nan 8.280 nan 0.000 0.499 325 M N 2.906 122.719 119.600 0.356 0.000 2.484 325 M HA 0.420 4.894 4.480 -0.009 0.000 0.289 325 M C -1.039 175.409 176.300 0.246 0.000 1.206 325 M CA -0.541 54.900 55.300 0.234 0.000 0.892 325 M CB 2.852 35.561 32.600 0.181 0.000 1.712 325 M HN 0.368 nan 8.290 nan 0.000 0.462 326 I N 1.415 122.046 120.570 0.101 0.000 2.353 326 I HA 0.283 4.448 4.170 -0.009 0.000 0.293 326 I C -0.696 175.329 176.117 -0.152 0.000 0.992 326 I CA -0.105 61.233 61.300 0.064 0.000 1.268 326 I CB 1.115 39.132 38.000 0.027 0.000 1.387 326 I HN 0.579 nan 8.210 nan 0.000 0.478 327 D N 6.719 127.044 120.400 -0.125 0.000 2.389 327 D HA 0.372 5.007 4.640 -0.009 0.000 0.256 327 D C -0.968 175.273 176.300 -0.098 0.000 1.239 327 D CA -0.213 53.698 54.000 -0.148 0.000 0.925 327 D CB 0.780 41.410 40.800 -0.282 0.000 1.145 327 D HN 0.471 nan 8.370 nan 0.000 0.542 328 Q N 1.380 121.041 119.800 -0.231 0.000 2.501 328 Q HA 0.593 4.928 4.340 -0.009 0.000 0.288 328 Q C -1.203 174.396 176.000 -0.669 0.000 1.051 328 Q CA -0.908 54.719 55.803 -0.294 0.000 0.788 328 Q CB 2.306 30.933 28.738 -0.185 0.000 1.469 328 Q HN 0.273 nan 8.270 nan 0.000 0.416 329 F N 0.323 120.060 119.950 -0.355 0.000 2.556 329 F HA 0.384 4.906 4.527 -0.009 0.000 0.314 329 F C -0.735 174.752 175.800 -0.522 0.000 1.106 329 F CA -0.587 57.224 58.000 -0.316 0.000 0.911 329 F CB 1.678 40.646 39.000 -0.053 0.000 1.190 329 F HN 0.472 nan 8.300 nan 0.000 0.448 330 H N 2.449 121.669 119.070 0.251 0.000 2.673 330 H HA 0.363 4.914 4.556 -0.008 0.000 0.293 330 H C 0.133 175.567 175.328 0.177 0.000 1.065 330 H CA -0.544 55.605 56.048 0.167 0.000 1.236 330 H CB 0.547 30.367 29.762 0.098 0.000 1.389 330 H HN 0.407 nan 8.280 nan 0.000 0.481 331 N N 1.870 120.705 118.700 0.224 0.000 2.405 331 N HA -0.042 4.693 4.740 -0.009 0.000 0.175 331 N C 0.935 176.565 175.510 0.200 0.000 1.051 331 N CA 0.660 53.836 53.050 0.210 0.000 0.899 331 N CB 0.963 39.565 38.487 0.192 0.000 1.000 331 N HN 0.488 nan 8.380 nan 0.000 0.451 332 V N -2.468 117.548 119.914 0.169 0.000 3.111 332 V HA 0.437 4.552 4.120 -0.009 0.000 0.343 332 V C 0.023 176.180 176.094 0.105 0.000 1.417 332 V CA -0.284 62.087 62.300 0.119 0.000 1.142 332 V CB -0.168 31.704 31.823 0.082 0.000 1.114 332 V HN 0.139 nan 8.190 nan 0.000 0.520 333 T N -3.747 110.885 114.554 0.130 0.000 2.812 333 T HA 0.468 4.813 4.350 -0.009 0.000 0.294 333 T C -1.182 173.572 174.700 0.090 0.000 1.159 333 T CA -0.320 61.838 62.100 0.096 0.000 1.008 333 T CB 2.130 71.047 68.868 0.082 0.000 1.289 333 T HN 0.171 nan 8.240 nan 0.000 0.514 334 D N 1.298 121.731 120.400 0.056 0.000 2.358 334 D HA 0.225 4.859 4.640 -0.009 0.000 0.258 334 D C -1.532 174.736 176.300 -0.054 0.000 1.223 334 D CA -1.858 52.172 54.000 0.050 0.000 0.886 334 D CB 1.396 42.249 40.800 0.090 0.000 1.120 334 D HN 0.114 nan 8.370 nan 0.000 0.482 335 P HA -0.144 nan 4.420 nan 0.000 0.216 335 P C 1.617 178.704 177.300 -0.355 0.000 1.154 335 P CA 1.050 64.032 63.100 -0.197 0.000 0.865 335 P CB 0.260 31.976 31.700 0.027 0.000 0.789 336 I N -0.653 119.766 120.570 -0.251 0.000 2.252 336 I HA -0.220 3.945 4.170 -0.009 0.000 0.245 336 I C 2.241 178.069 176.117 -0.482 0.000 1.102 336 I CA 1.492 62.572 61.300 -0.367 0.000 1.385 336 I CB -0.647 37.103 38.000 -0.417 0.000 1.064 336 I HN 0.023 nan 8.210 nan 0.000 0.414 337 E N 0.463 120.375 120.200 -0.480 0.000 2.077 337 E HA -0.167 4.178 4.350 -0.009 0.000 0.193 337 E C 2.355 178.800 176.600 -0.259 0.000 0.989 337 E CA 1.418 57.597 56.400 -0.368 0.000 0.800 337 E CB -0.088 29.488 29.700 -0.206 0.000 0.746 337 E HN 0.325 nan 8.360 nan 0.000 0.452 338 S N 0.943 116.469 115.700 -0.289 0.000 2.368 338 S HA -0.095 4.370 4.470 -0.009 0.000 0.225 338 S C 2.016 176.457 174.600 -0.264 0.000 1.030 338 S CA 0.751 58.794 58.200 -0.262 0.000 0.999 338 S CB -0.133 62.859 63.200 -0.346 0.000 0.844 338 S HN 0.172 nan 8.310 nan 0.000 0.459 339 L N 0.798 121.791 121.223 -0.384 0.000 2.093 339 L HA -0.084 4.251 4.340 -0.009 0.000 0.208 339 L C 2.142 178.919 176.870 -0.155 0.000 1.085 339 L CA 0.973 55.677 54.840 -0.225 0.000 0.755 339 L CB -0.487 41.432 42.059 -0.234 0.000 0.904 339 L HN 0.315 nan 8.230 nan 0.000 0.435 340 I N -0.015 120.440 120.570 -0.191 0.000 2.142 340 I HA -0.312 3.853 4.170 -0.009 0.000 0.240 340 I C 2.080 178.138 176.117 -0.099 0.000 1.078 340 I CA 1.342 62.554 61.300 -0.146 0.000 1.343 340 I CB -0.337 37.554 38.000 -0.182 0.000 1.046 340 I HN 0.328 nan 8.210 nan 0.000 0.405 341 N N 0.316 118.959 118.700 -0.096 0.000 2.381 341 N HA -0.096 4.639 4.740 -0.009 0.000 0.182 341 N C 1.929 177.413 175.510 -0.043 0.000 1.025 341 N CA 0.972 53.986 53.050 -0.059 0.000 0.888 341 N CB -0.147 38.312 38.487 -0.046 0.000 0.965 341 N HN 0.201 nan 8.380 nan 0.000 0.438 342 S N 0.347 116.024 115.700 -0.038 0.000 2.371 342 S HA 0.042 4.507 4.470 -0.009 0.000 0.224 342 S C 2.043 176.622 174.600 -0.035 0.000 1.029 342 S CA 0.854 59.048 58.200 -0.010 0.000 0.978 342 S CB -0.191 63.029 63.200 0.034 0.000 0.833 342 S HN 0.469 nan 8.310 nan 0.000 0.466 343 A N 2.213 125.010 122.820 -0.040 0.000 1.972 343 A HA -0.137 4.178 4.320 -0.009 0.000 0.219 343 A C 1.836 179.387 177.584 -0.055 0.000 1.169 343 A CA 1.502 53.519 52.037 -0.034 0.000 0.635 343 A CB -0.773 18.215 19.000 -0.021 0.000 0.810 343 A HN 0.608 nan 8.150 nan 0.000 0.446 344 N N -0.586 118.078 118.700 -0.059 0.000 2.106 344 N HA -0.141 4.594 4.740 -0.009 0.000 0.188 344 N C 1.570 177.021 175.510 -0.100 0.000 1.029 344 N CA 1.107 54.117 53.050 -0.067 0.000 0.848 344 N CB -0.129 38.326 38.487 -0.054 0.000 1.007 344 N HN 0.350 nan 8.380 nan 0.000 0.423 345 E N 1.088 121.235 120.200 -0.089 0.000 2.153 345 E HA -0.118 4.227 4.350 -0.009 0.000 0.194 345 E C 2.012 178.500 176.600 -0.186 0.000 0.988 345 E CA 0.665 57.007 56.400 -0.096 0.000 0.811 345 E CB -0.148 29.527 29.700 -0.042 0.000 0.746 345 E HN 0.486 nan 8.360 nan 0.000 0.466 346 I N 0.357 120.784 120.570 -0.240 0.000 2.252 346 I HA -0.227 3.938 4.170 -0.009 0.000 0.245 346 I C 2.565 178.268 176.117 -0.690 0.000 1.102 346 I CA 0.938 61.968 61.300 -0.449 0.000 1.385 346 I CB -0.171 37.599 38.000 -0.382 0.000 1.064 346 I HN -0.030 nan 8.210 nan 0.000 0.414 347 R N 0.181 120.426 120.500 -0.424 0.000 2.115 347 R HA -0.120 4.215 4.340 -0.009 0.000 0.230 347 R C 2.422 178.506 176.300 -0.359 0.000 1.111 347 R CA 0.841 56.693 56.100 -0.413 0.000 0.976 347 R CB -0.233 29.976 30.300 -0.152 0.000 0.870 347 R HN 0.311 nan 8.270 nan 0.000 0.445 348 R N 0.568 120.901 120.500 -0.279 0.000 2.073 348 R HA -0.117 4.218 4.340 -0.009 0.000 0.234 348 R C 2.101 178.270 176.300 -0.218 0.000 1.134 348 R CA 1.634 57.614 56.100 -0.200 0.000 0.952 348 R CB -0.225 29.995 30.300 -0.134 0.000 0.850 348 R HN 0.183 nan 8.270 nan 0.000 0.433 349 A N -0.009 122.637 122.820 -0.289 0.000 1.933 349 A HA -0.216 4.099 4.320 -0.009 0.000 0.218 349 A C 1.998 179.335 177.584 -0.412 0.000 1.175 349 A CA 1.305 53.228 52.037 -0.190 0.000 0.628 349 A CB -0.828 18.075 19.000 -0.161 0.000 0.814 349 A HN 0.618 nan 8.150 nan 0.000 0.444 350 Y N 0.728 120.345 120.300 -1.137 0.000 2.145 350 Y HA -0.080 4.465 4.550 -0.009 0.000 0.286 350 Y C 2.653 178.290 175.900 -0.439 0.000 1.145 350 Y CA 1.150 58.616 58.100 -1.057 0.000 1.148 350 Y CB -0.782 36.785 38.460 -1.487 0.000 0.981 350 Y HN 0.297 nan 8.280 nan 0.000 0.507 351 A N 0.233 122.786 122.820 -0.444 0.000 1.908 351 A HA -0.268 4.046 4.320 -0.009 0.000 0.218 351 A C 2.121 179.573 177.584 -0.221 0.000 1.181 351 A CA 2.068 53.893 52.037 -0.353 0.000 0.627 351 A CB -0.798 18.079 19.000 -0.205 0.000 0.818 351 A HN 0.687 nan 8.150 nan 0.000 0.445 352 Q N -0.747 118.998 119.800 -0.092 0.000 2.119 352 Q HA -0.053 4.282 4.340 -0.009 0.000 0.201 352 Q C 2.388 178.542 176.000 0.256 0.000 0.972 352 Q CA 1.280 57.129 55.803 0.076 0.000 0.847 352 Q CB -0.389 28.430 28.738 0.136 0.000 0.903 352 Q HN 0.686 nan 8.270 nan 0.000 0.433 353 A N 0.884 123.818 122.820 0.189 0.000 1.972 353 A HA -0.140 4.175 4.320 -0.009 0.000 0.219 353 A C 2.010 179.563 177.584 -0.052 0.000 1.169 353 A CA 0.997 53.061 52.037 0.044 0.000 0.635 353 A CB -0.585 18.339 19.000 -0.126 0.000 0.810 353 A HN 0.299 nan 8.150 nan 0.000 0.446 354 L N -0.627 120.478 121.223 -0.195 0.000 2.275 354 L HA -0.102 4.232 4.340 -0.009 0.000 0.215 354 L C 2.107 178.918 176.870 -0.098 0.000 1.119 354 L CA 0.588 55.301 54.840 -0.212 0.000 0.790 354 L CB -0.366 41.473 42.059 -0.367 0.000 0.919 354 L HN 0.386 nan 8.230 nan 0.000 0.443 355 L N -0.849 120.345 121.223 -0.048 0.000 2.395 355 L HA 0.006 4.340 4.340 -0.009 0.000 0.218 355 L C 0.847 177.731 176.870 0.024 0.000 1.130 355 L CA -0.212 54.617 54.840 -0.019 0.000 0.826 355 L CB -0.181 41.866 42.059 -0.019 0.000 0.941 355 L HN -0.037 nan 8.230 nan 0.000 0.451 356 V N 1.356 121.310 119.914 0.066 0.000 2.617 356 V HA -0.136 3.979 4.120 -0.009 0.000 0.304 356 V C 0.502 176.623 176.094 0.045 0.000 1.040 356 V CA 0.207 62.561 62.300 0.089 0.000 1.149 356 V CB 0.470 32.358 31.823 0.107 0.000 0.914 356 V HN 0.159 nan 8.190 nan 0.000 0.487 357 D N 5.554 125.985 120.400 0.053 0.000 2.435 357 D HA 0.083 4.718 4.640 -0.009 0.000 0.230 357 D C 1.358 177.676 176.300 0.029 0.000 1.215 357 D CA -0.300 53.719 54.000 0.032 0.000 0.947 357 D CB 0.502 41.326 40.800 0.040 0.000 1.048 357 D HN 0.358 nan 8.370 nan 0.000 0.512 358 R N 2.842 123.348 120.500 0.010 0.000 2.096 358 R HA -0.127 4.208 4.340 -0.009 0.000 0.235 358 R C 1.774 178.066 176.300 -0.015 0.000 1.127 358 R CA 1.179 57.279 56.100 0.000 0.000 0.968 358 R CB -0.781 29.513 30.300 -0.011 0.000 0.861 358 R HN 0.478 nan 8.270 nan 0.000 0.440 359 A N 1.304 124.108 122.820 -0.026 0.000 1.877 359 A HA -0.042 4.273 4.320 -0.009 0.000 0.216 359 A C 2.430 179.960 177.584 -0.089 0.000 1.186 359 A CA 1.803 53.810 52.037 -0.050 0.000 0.620 359 A CB -0.601 18.370 19.000 -0.047 0.000 0.822 359 A HN 0.339 nan 8.150 nan 0.000 0.443 360 A N -0.595 122.174 122.820 -0.084 0.000 1.902 360 A HA -0.011 4.304 4.320 -0.009 0.000 0.217 360 A C 2.133 179.624 177.584 -0.156 0.000 1.181 360 A CA 1.710 53.639 52.037 -0.179 0.000 0.623 360 A CB -0.637 18.340 19.000 -0.039 0.000 0.818 360 A HN 0.670 nan 8.150 nan 0.000 0.443 361 L N 0.124 121.366 121.223 0.031 0.000 2.012 361 L HA -0.125 4.210 4.340 -0.009 0.000 0.210 361 L C 2.500 179.398 176.870 0.046 0.000 1.073 361 L CA 2.636 57.545 54.840 0.116 0.000 0.748 361 L CB -0.777 41.336 42.059 0.090 0.000 0.891 361 L HN 0.292 nan 8.230 nan 0.000 0.431 362 S N -0.173 115.518 115.700 -0.015 0.000 2.383 362 S HA -0.132 4.333 4.470 -0.009 0.000 0.229 362 S C 1.893 176.461 174.600 -0.053 0.000 1.030 362 S CA 1.101 59.285 58.200 -0.027 0.000 1.002 362 S CB -1.018 62.159 63.200 -0.038 0.000 0.829 362 S HN 0.724 nan 8.310 nan 0.000 0.467 363 G N 0.148 108.865 108.800 -0.139 0.000 2.421 363 G HA2 -0.188 3.767 3.960 -0.009 0.000 0.216 363 G HA3 -0.188 3.767 3.960 -0.009 0.000 0.216 363 G C 1.066 175.880 174.900 -0.142 0.000 1.171 363 G CA 0.648 45.628 45.100 -0.200 0.000 0.775 363 G HN 0.500 nan 8.290 nan 0.000 0.543 364 Y N 0.936 121.237 120.300 0.002 0.000 2.352 364 Y HA -0.014 4.531 4.550 -0.009 0.000 0.292 364 Y C 3.072 178.974 175.900 0.003 0.000 1.136 364 Y CA 1.004 59.106 58.100 0.004 0.000 1.227 364 Y CB -0.406 38.059 38.460 0.008 0.000 0.991 364 Y HN 0.292 nan 8.280 nan 0.000 0.545 365 Q N -0.241 119.640 119.800 0.135 0.000 2.049 365 Q HA -0.151 4.184 4.340 -0.009 0.000 0.198 365 Q C 2.007 178.036 176.000 0.048 0.000 0.971 365 Q CA 1.217 57.066 55.803 0.077 0.000 0.833 365 Q CB -0.062 28.704 28.738 0.047 0.000 0.896 365 Q HN 0.362 nan 8.270 nan 0.000 0.434 366 E N 0.966 121.182 120.200 0.028 0.000 2.110 366 E HA -0.146 4.199 4.350 -0.009 0.000 0.193 366 E C 1.061 177.675 176.600 0.024 0.000 0.988 366 E CA 0.969 57.378 56.400 0.014 0.000 0.804 366 E CB -0.072 29.625 29.700 -0.006 0.000 0.745 366 E HN 0.360 nan 8.360 nan 0.000 0.458 367 D N 0.158 120.583 120.400 0.042 0.000 2.340 367 D HA 0.006 4.641 4.640 -0.009 0.000 0.220 367 D C -0.274 176.063 176.300 0.062 0.000 1.039 367 D CA -0.017 54.014 54.000 0.052 0.000 0.866 367 D CB -0.287 40.554 40.800 0.068 0.000 0.913 367 D HN 0.164 nan 8.370 nan 0.000 0.523 368 N N 1.328 120.065 118.700 0.062 0.000 2.735 368 N HA -0.184 4.551 4.740 -0.009 0.000 0.248 368 N C -0.665 174.878 175.510 0.054 0.000 1.083 368 N CA 0.414 53.494 53.050 0.050 0.000 0.703 368 N CB -0.657 37.849 38.487 0.032 0.000 1.005 368 N HN 0.090 nan 8.380 nan 0.000 0.550 369 D N 0.014 120.466 120.400 0.087 0.000 2.564 369 D HA 0.459 5.094 4.640 -0.009 0.000 0.226 369 D C 1.071 177.372 176.300 0.002 0.000 1.149 369 D CA 0.249 54.282 54.000 0.054 0.000 0.994 369 D CB 0.178 41.055 40.800 0.129 0.000 1.029 369 D HN 0.366 nan 8.370 nan 0.000 0.517 370 A N 3.490 126.308 122.820 -0.003 0.000 1.908 370 A HA -0.178 4.137 4.320 -0.009 0.000 0.218 370 A C 2.077 179.633 177.584 -0.046 0.000 1.181 370 A CA 0.998 53.029 52.037 -0.010 0.000 0.627 370 A CB -0.478 18.521 19.000 -0.002 0.000 0.818 370 A HN 0.603 nan 8.150 nan 0.000 0.445 371 L N -1.404 119.776 121.223 -0.072 0.000 2.017 371 L HA -0.160 4.175 4.340 -0.009 0.000 0.208 371 L C 2.440 179.207 176.870 -0.172 0.000 1.073 371 L CA 1.711 56.494 54.840 -0.095 0.000 0.745 371 L CB -0.208 41.800 42.059 -0.085 0.000 0.894 371 L HN 0.271 nan 8.230 nan 0.000 0.432 372 M N -0.632 118.777 119.600 -0.319 0.000 2.319 372 M HA -0.052 4.423 4.480 -0.009 0.000 0.265 372 M C 2.389 178.379 176.300 -0.516 0.000 1.068 372 M CA 1.429 56.358 55.300 -0.619 0.000 1.118 372 M CB -1.437 30.361 32.600 -1.337 0.000 1.395 372 M HN 0.460 nan 8.290 nan 0.000 0.435 373 A N -0.652 122.019 122.820 -0.249 0.000 1.873 373 A HA -0.154 4.161 4.320 -0.009 0.000 0.215 373 A C 2.386 179.985 177.584 0.025 0.000 1.186 373 A CA 2.346 54.390 52.037 0.010 0.000 0.616 373 A CB -1.151 17.894 19.000 0.075 0.000 0.823 373 A HN 0.421 nan 8.150 nan 0.000 0.442 374 T N -1.002 113.552 114.554 0.001 0.000 2.867 374 T HA -0.120 4.225 4.350 -0.009 0.000 0.268 374 T C 1.896 176.622 174.700 0.043 0.000 1.057 374 T CA 1.804 63.932 62.100 0.047 0.000 1.136 374 T CB -0.217 68.673 68.868 0.038 0.000 0.874 374 T HN 0.600 nan 8.240 nan 0.000 0.466 375 E N 0.369 120.554 120.200 -0.025 0.000 2.204 375 E HA -0.056 4.289 4.350 -0.009 0.000 0.194 375 E C 2.104 178.711 176.600 0.011 0.000 0.989 375 E CA 1.419 57.801 56.400 -0.030 0.000 0.824 375 E CB -0.580 29.069 29.700 -0.085 0.000 0.756 375 E HN 0.389 nan 8.360 nan 0.000 0.477 376 T N 0.728 115.302 114.554 0.034 0.000 2.821 376 T HA -0.044 4.301 4.350 -0.009 0.000 0.267 376 T C 1.700 176.482 174.700 0.137 0.000 1.046 376 T CA 1.137 63.300 62.100 0.104 0.000 1.139 376 T CB -0.138 68.841 68.868 0.184 0.000 0.871 376 T HN 0.144 nan 8.240 nan 0.000 0.454 377 L N 0.340 121.668 121.223 0.175 0.000 2.072 377 L HA -0.030 4.304 4.340 -0.009 0.000 0.205 377 L C 2.738 179.748 176.870 0.233 0.000 1.079 377 L CA 0.947 55.969 54.840 0.303 0.000 0.752 377 L CB -0.385 41.904 42.059 0.383 0.000 0.906 377 L HN 0.064 nan 8.230 nan 0.000 0.436 378 K N 0.500 120.985 120.400 0.142 0.000 2.097 378 K HA -0.135 4.180 4.320 -0.009 0.000 0.206 378 K C 2.123 178.723 176.600 0.000 0.000 1.049 378 K CA 1.204 57.521 56.287 0.050 0.000 0.933 378 K CB -0.286 32.208 32.500 -0.009 0.000 0.717 378 K HN 0.309 nan 8.250 nan 0.000 0.442 379 R N 0.198 120.705 120.500 0.012 0.000 2.120 379 R HA -0.083 4.252 4.340 -0.009 0.000 0.234 379 R C 2.283 178.564 176.300 -0.032 0.000 1.123 379 R CA 1.299 57.390 56.100 -0.015 0.000 0.975 379 R CB -0.265 30.039 30.300 0.006 0.000 0.866 379 R HN 0.169 nan 8.270 nan 0.000 0.446 380 A N 0.188 123.014 122.820 0.009 0.000 1.855 380 A HA -0.174 4.141 4.320 -0.009 0.000 0.213 380 A C 1.945 179.453 177.584 -0.126 0.000 1.195 380 A CA 0.887 52.927 52.037 0.005 0.000 0.610 380 A CB -0.726 18.371 19.000 0.162 0.000 0.837 380 A HN 0.407 nan 8.150 nan 0.000 0.444 381 Y N 0.874 120.897 120.300 -0.462 0.000 2.207 381 Y HA -0.168 4.377 4.550 -0.008 0.000 0.287 381 Y C 2.347 178.031 175.900 -0.359 0.000 1.156 381 Y CA 1.885 59.563 58.100 -0.703 0.000 1.182 381 Y CB -0.234 37.642 38.460 -0.974 0.000 0.979 381 Y HN 0.231 nan 8.280 nan 0.000 0.521 382 R N -0.308 119.971 120.500 -0.368 0.000 2.237 382 R HA -0.019 4.316 4.340 -0.009 0.000 0.219 382 R C 0.383 176.498 176.300 -0.308 0.000 1.080 382 R CA 0.939 56.818 56.100 -0.367 0.000 0.995 382 R CB -0.536 29.646 30.300 -0.196 0.000 0.875 382 R HN 0.175 nan 8.270 nan 0.000 0.462 383 T N 1.579 115.981 114.554 -0.254 0.000 2.853 383 T HA -0.032 4.313 4.350 -0.009 0.000 0.298 383 T C -0.147 174.425 174.700 -0.212 0.000 0.978 383 T CA -0.112 61.872 62.100 -0.194 0.000 1.152 383 T CB 0.950 69.730 68.868 -0.146 0.000 0.914 383 T HN -0.003 nan 8.240 nan 0.000 0.539 384 D N 3.250 123.545 120.400 -0.174 0.000 2.374 384 D HA 0.104 4.739 4.640 -0.009 0.000 0.240 384 D C 1.097 177.321 176.300 -0.127 0.000 1.229 384 D CA -0.742 53.165 54.000 -0.156 0.000 0.895 384 D CB 0.413 41.138 40.800 -0.126 0.000 1.046 384 D HN 0.338 nan 8.370 nan 0.000 0.498 385 V N 1.666 121.503 119.914 -0.128 0.000 3.633 385 V HA 0.121 4.236 4.120 -0.009 0.000 0.283 385 V C 1.695 177.749 176.094 -0.068 0.000 1.305 385 V CA 0.111 62.350 62.300 -0.103 0.000 1.153 385 V CB -0.067 31.689 31.823 -0.113 0.000 0.950 385 V HN 0.304 nan 8.190 nan 0.000 0.432 386 E N 2.612 122.774 120.200 -0.064 0.000 2.097 386 E HA -0.128 4.217 4.350 -0.009 0.000 0.196 386 E C -0.158 176.444 176.600 0.002 0.000 1.000 386 E CA 2.417 58.794 56.400 -0.038 0.000 0.804 386 E CB -1.456 28.220 29.700 -0.041 0.000 0.740 386 E HN 0.514 nan 8.360 nan 0.000 0.454 387 P HA -0.108 nan 4.420 nan 0.000 0.216 387 P C 1.206 178.634 177.300 0.212 0.000 1.150 387 P CA 1.288 64.456 63.100 0.113 0.000 0.837 387 P CB -0.030 31.732 31.700 0.105 0.000 0.786 388 I N -1.857 118.795 120.570 0.137 0.000 2.252 388 I HA -0.210 3.955 4.170 -0.009 0.000 0.245 388 I C 1.942 178.117 176.117 0.097 0.000 1.102 388 I CA 1.122 62.528 61.300 0.177 0.000 1.385 388 I CB -0.609 37.419 38.000 0.047 0.000 1.064 388 I HN -0.100 nan 8.210 nan 0.000 0.414 389 L N 0.804 122.047 121.223 0.033 0.000 2.046 389 L HA -0.156 4.179 4.340 -0.009 0.000 0.208 389 L C 2.683 179.561 176.870 0.013 0.000 1.077 389 L CA 2.150 56.995 54.840 0.008 0.000 0.747 389 L CB -1.169 40.876 42.059 -0.023 0.000 0.896 389 L HN 0.193 nan 8.230 nan 0.000 0.432 390 A N -0.967 121.863 122.820 0.017 0.000 1.898 390 A HA -0.216 4.099 4.320 -0.009 0.000 0.216 390 A C 2.309 179.883 177.584 -0.016 0.000 1.181 390 A CA 1.644 53.682 52.037 0.003 0.000 0.620 390 A CB -0.485 18.519 19.000 0.007 0.000 0.819 390 A HN 0.394 nan 8.150 nan 0.000 0.442 391 E N 0.337 120.523 120.200 -0.023 0.000 2.106 391 E HA -0.012 4.332 4.350 -0.009 0.000 0.192 391 E C 1.960 178.510 176.600 -0.083 0.000 0.984 391 E CA 1.429 57.749 56.400 -0.132 0.000 0.806 391 E CB -0.451 29.029 29.700 -0.365 0.000 0.750 391 E HN 0.449 nan 8.360 nan 0.000 0.458 392 A N 0.844 123.654 122.820 -0.016 0.000 1.902 392 A HA -0.191 4.124 4.320 -0.009 0.000 0.217 392 A C 2.228 179.816 177.584 0.006 0.000 1.181 392 A CA 1.695 53.735 52.037 0.005 0.000 0.623 392 A CB -0.464 18.554 19.000 0.030 0.000 0.818 392 A HN 0.211 nan 8.150 nan 0.000 0.443 393 R N -1.138 119.364 120.500 0.005 0.000 2.066 393 R HA -0.087 4.248 4.340 -0.009 0.000 0.232 393 R C 2.550 178.848 176.300 -0.002 0.000 1.131 393 R CA 1.384 57.490 56.100 0.010 0.000 0.955 393 R CB -0.353 29.951 30.300 0.007 0.000 0.851 393 R HN 0.545 nan 8.270 nan 0.000 0.432 394 R N 1.194 121.680 120.500 -0.023 0.000 2.091 394 R HA -0.135 4.200 4.340 -0.009 0.000 0.238 394 R C 2.036 178.317 176.300 -0.032 0.000 1.136 394 R CA 1.598 57.678 56.100 -0.034 0.000 0.959 394 R CB -0.019 30.245 30.300 -0.061 0.000 0.856 394 R HN 0.168 nan 8.270 nan 0.000 0.437 395 R N -0.720 119.757 120.500 -0.039 0.000 2.235 395 R HA -0.029 4.305 4.340 -0.009 0.000 0.213 395 R C 1.327 177.627 176.300 -0.001 0.000 1.059 395 R CA 1.504 57.586 56.100 -0.030 0.000 0.997 395 R CB 0.174 30.450 30.300 -0.040 0.000 0.884 395 R HN 0.348 nan 8.270 nan 0.000 0.462 396 T N -4.014 110.547 114.554 0.013 0.000 3.174 396 T HA 0.322 4.667 4.350 -0.009 0.000 0.269 396 T C 1.060 175.783 174.700 0.038 0.000 1.017 396 T CA 0.218 62.338 62.100 0.033 0.000 0.899 396 T CB 1.223 70.124 68.868 0.055 0.000 1.077 396 T HN 0.294 nan 8.240 nan 0.000 0.552 397 G N 0.052 108.870 108.800 0.030 0.000 2.176 397 G HA2 -0.034 3.921 3.960 -0.009 0.000 0.232 397 G HA3 -0.034 3.921 3.960 -0.009 0.000 0.232 397 G C 0.469 175.394 174.900 0.040 0.000 0.986 397 G CA -0.269 44.856 45.100 0.042 0.000 0.643 397 G HN 1.004 nan 8.290 nan 0.000 0.522 398 G N -0.347 108.470 108.800 0.028 0.000 2.532 398 G HA2 0.813 4.768 3.960 -0.009 0.000 0.291 398 G HA3 0.813 4.768 3.960 -0.009 0.000 0.291 398 G C 0.185 175.092 174.900 0.012 0.000 1.349 398 G CA 0.256 45.370 45.100 0.023 0.000 1.038 398 G HN 1.502 nan 8.290 nan 0.000 0.518 399 A N -1.218 121.608 122.820 0.010 0.000 2.305 399 A HA 0.562 4.877 4.320 -0.009 0.000 0.322 399 A C 1.160 178.744 177.584 -0.000 0.000 1.187 399 A CA -0.512 51.528 52.037 0.006 0.000 0.825 399 A CB 1.619 20.627 19.000 0.014 0.000 1.164 399 A HN 0.663 nan 8.150 nan 0.000 0.498 400 V N 1.274 121.185 119.914 -0.005 0.000 2.332 400 V HA -0.113 4.002 4.120 -0.009 0.000 0.248 400 V C 0.813 176.905 176.094 -0.004 0.000 1.055 400 V CA 2.447 64.742 62.300 -0.008 0.000 1.038 400 V CB -0.283 31.533 31.823 -0.012 0.000 0.651 400 V HN 0.891 nan 8.190 nan 0.000 0.450 401 D N -1.602 118.799 120.400 0.001 0.000 2.408 401 D HA 0.241 4.876 4.640 -0.009 0.000 0.261 401 D C -1.966 174.342 176.300 0.013 0.000 1.190 401 D CA -2.028 51.975 54.000 0.004 0.000 0.910 401 D CB 1.945 42.749 40.800 0.006 0.000 1.097 401 D HN 0.052 nan 8.370 nan 0.000 0.522 402 P HA -0.183 nan 4.420 nan 0.000 0.215 402 P C 1.666 178.990 177.300 0.040 0.000 1.163 402 P CA 0.742 63.849 63.100 0.011 0.000 0.894 402 P CB 0.485 32.174 31.700 -0.019 0.000 0.791 403 V N -0.269 119.659 119.914 0.024 0.000 2.407 403 V HA -0.247 3.868 4.120 -0.009 0.000 0.248 403 V C 2.442 178.609 176.094 0.122 0.000 1.055 403 V CA 2.170 64.508 62.300 0.064 0.000 1.049 403 V CB -1.732 30.104 31.823 0.021 0.000 0.662 403 V HN 0.108 nan 8.190 nan 0.000 0.455 404 A N -0.373 122.489 122.820 0.070 0.000 1.902 404 A HA -0.219 4.096 4.320 -0.009 0.000 0.217 404 A C 2.401 180.023 177.584 0.063 0.000 1.181 404 A CA 2.486 54.558 52.037 0.058 0.000 0.623 404 A CB -0.911 18.108 19.000 0.031 0.000 0.818 404 A HN 0.492 nan 8.150 nan 0.000 0.443 405 T N -1.646 112.947 114.554 0.066 0.000 2.821 405 T HA -0.131 4.214 4.350 -0.009 0.000 0.267 405 T C 1.765 176.515 174.700 0.083 0.000 1.046 405 T CA 1.532 63.665 62.100 0.056 0.000 1.139 405 T CB -0.406 68.489 68.868 0.046 0.000 0.871 405 T HN 0.577 nan 8.240 nan 0.000 0.454 406 Y N 2.325 122.621 120.300 -0.005 0.000 2.128 406 Y HA -0.164 4.381 4.550 -0.008 0.000 0.284 406 Y C 2.451 178.373 175.900 0.037 0.000 1.154 406 Y CA 1.376 59.477 58.100 0.002 0.000 1.149 406 Y CB -0.174 38.276 38.460 -0.018 0.000 0.976 406 Y HN 0.007 nan 8.280 nan 0.000 0.505 407 R N -0.128 120.395 120.500 0.040 0.000 2.092 407 R HA -0.092 4.243 4.340 -0.009 0.000 0.231 407 R C 2.487 178.745 176.300 -0.070 0.000 1.119 407 R CA 1.036 57.107 56.100 -0.049 0.000 0.970 407 R CB -0.622 29.713 30.300 0.059 0.000 0.864 407 R HN 0.444 nan 8.270 nan 0.000 0.440 408 A N 1.140 123.944 122.820 -0.028 0.000 2.015 408 A HA -0.162 4.153 4.320 -0.009 0.000 0.219 408 A C 2.193 179.753 177.584 -0.041 0.000 1.163 408 A CA 1.771 53.793 52.037 -0.025 0.000 0.646 408 A CB -0.420 18.576 19.000 -0.007 0.000 0.806 408 A HN 0.428 nan 8.150 nan 0.000 0.448 409 S N -1.407 114.258 115.700 -0.058 0.000 2.453 409 S HA 0.274 4.739 4.470 -0.009 0.000 0.231 409 S C 1.573 176.137 174.600 -0.060 0.000 1.005 409 S CA 1.251 59.425 58.200 -0.044 0.000 0.949 409 S CB -0.687 62.501 63.200 -0.020 0.000 0.774 409 S HN 1.964 nan 8.310 nan 0.000 0.510 410 G N 0.369 109.096 108.800 -0.122 0.000 2.160 410 G HA2 -0.379 3.575 3.960 -0.009 0.000 0.251 410 G HA3 -0.379 3.575 3.960 -0.009 0.000 0.251 410 G C 0.205 175.032 174.900 -0.121 0.000 1.008 410 G CA 0.481 45.511 45.100 -0.117 0.000 0.724 410 G HN 0.630 nan 8.290 nan 0.000 0.514 411 Y N 0.810 120.926 120.300 -0.308 0.000 2.128 411 Y HA -0.203 4.342 4.550 -0.009 0.000 0.284 411 Y C 2.794 178.608 175.900 -0.144 0.000 1.154 411 Y CA 2.786 60.755 58.100 -0.219 0.000 1.149 411 Y CB -0.167 38.147 38.460 -0.243 0.000 0.976 411 Y HN 0.340 nan 8.280 nan 0.000 0.505 412 R N 0.951 121.384 120.500 -0.111 0.000 2.083 412 R HA -0.160 4.175 4.340 -0.009 0.000 0.237 412 R C 2.258 178.505 176.300 -0.088 0.000 1.137 412 R CA 1.861 57.954 56.100 -0.012 0.000 0.951 412 R CB -1.247 29.104 30.300 0.084 0.000 0.851 412 R HN 0.417 nan 8.270 nan 0.000 0.434 413 A N 0.732 123.495 122.820 -0.095 0.000 1.933 413 A HA -0.147 4.167 4.320 -0.009 0.000 0.218 413 A C 2.265 179.783 177.584 -0.110 0.000 1.175 413 A CA 1.529 53.520 52.037 -0.077 0.000 0.628 413 A CB -0.639 18.324 19.000 -0.061 0.000 0.814 413 A HN 0.444 nan 8.150 nan 0.000 0.444 414 R N 0.308 120.705 120.500 -0.172 0.000 2.070 414 R HA -0.135 4.200 4.340 -0.009 0.000 0.233 414 R C 2.025 178.194 176.300 -0.218 0.000 1.137 414 R CA 2.409 58.392 56.100 -0.195 0.000 0.945 414 R CB -0.633 29.517 30.300 -0.251 0.000 0.845 414 R HN 0.491 nan 8.270 nan 0.000 0.430 415 V N -1.432 118.280 119.914 -0.337 0.000 2.759 415 V HA 0.052 4.167 4.120 -0.009 0.000 0.256 415 V C 2.330 178.359 176.094 -0.108 0.000 1.080 415 V CA 1.452 63.607 62.300 -0.241 0.000 1.101 415 V CB -0.894 30.753 31.823 -0.293 0.000 0.698 415 V HN 0.395 nan 8.190 nan 0.000 0.477 416 A N 0.767 123.534 122.820 -0.089 0.000 1.969 416 A HA 0.166 4.480 4.320 -0.009 0.000 0.218 416 A C 2.409 179.974 177.584 -0.031 0.000 1.169 416 A CA 1.934 53.949 52.037 -0.036 0.000 0.635 416 A CB -0.782 18.204 19.000 -0.023 0.000 0.810 416 A HN 0.895 nan 8.150 nan 0.000 0.445 417 A N -0.180 122.612 122.820 -0.047 0.000 2.016 417 A HA -0.020 4.295 4.320 -0.009 0.000 0.217 417 A C 1.789 179.356 177.584 -0.028 0.000 1.162 417 A CA 1.262 53.279 52.037 -0.034 0.000 0.662 417 A CB -0.280 18.696 19.000 -0.039 0.000 0.812 417 A HN 0.629 nan 8.150 nan 0.000 0.450 418 E N -0.513 119.664 120.200 -0.038 0.000 2.318 418 E HA 0.035 4.380 4.350 -0.009 0.000 0.193 418 E C 0.112 176.708 176.600 -0.006 0.000 0.998 418 E CA 0.162 56.548 56.400 -0.024 0.000 0.859 418 E CB 0.172 29.851 29.700 -0.035 0.000 0.812 418 E HN 0.435 nan 8.360 nan 0.000 0.492 419 R N 1.739 122.236 120.500 -0.005 0.000 2.437 419 R HA 0.333 4.668 4.340 -0.009 0.000 0.310 419 R C -2.664 173.645 176.300 0.015 0.000 0.955 419 R CA -2.006 54.101 56.100 0.013 0.000 0.851 419 R CB 1.291 31.604 30.300 0.021 0.000 1.161 419 R HN -0.119 nan 8.270 nan 0.000 0.446 420 P HA 0.145 nan 4.420 nan 0.000 0.282 420 P C -0.842 176.472 177.300 0.024 0.000 1.262 420 P CA -0.163 62.949 63.100 0.019 0.000 0.773 420 P CB 1.384 33.095 31.700 0.019 0.000 0.879 421 A N 2.595 125.430 122.820 0.024 0.000 2.257 421 A HA 0.314 4.629 4.320 -0.009 0.000 0.289 421 A C 1.608 179.208 177.584 0.026 0.000 1.095 421 A CA -0.043 52.011 52.037 0.028 0.000 0.836 421 A CB -0.026 18.993 19.000 0.032 0.000 1.111 421 A HN 0.455 nan 8.150 nan 0.000 0.497 422 S N -1.474 114.242 115.700 0.026 0.000 2.382 422 S HA 0.034 4.499 4.470 -0.009 0.000 0.228 422 S C 0.917 175.530 174.600 0.022 0.000 1.027 422 S CA 1.489 59.702 58.200 0.022 0.000 0.991 422 S CB -0.692 62.519 63.200 0.020 0.000 0.823 422 S HN 1.350 nan 8.310 nan 0.000 0.469 423 V N 0.000 119.930 119.914 0.026 0.000 2.409 423 V HA 0.000 4.115 4.120 -0.009 0.000 0.244 423 V CA 0.000 62.315 62.300 0.025 0.000 1.235 423 V CB 0.000 31.840 31.823 0.028 0.000 1.184 423 V HN 0.000 nan 8.190 nan 0.000 0.556