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 2vgj_1_B DATA FIRST_RESID 1 DATA SEQUENCE RLTELREDID AILEDPALEG AVSGVVVVDT ATGEELYSRD GGEQLLPASN DATA SEQUENCE MKLFTAAAAL EVLGADHSFG TEVAAESAPG RRGEVQDLYL VGRGDPTLSA DATA SEQUENCE EDLDAMAAEV AASGVRTVRG DLYADDTWFD SERLVDDWWP EDEPYAYSAQ DATA SEQUENCE ISALTVAHGE RFDTGVTEVS VTPAAEGEPA DVDLGAAEGY AELDNRAVTG DATA SEQUENCE AAGSANTLVI DRPVGTNTIA VTGSLPADAA PVTALRTVDE PAALAGHLFE DATA SEQUENCE EALESNGVTV KGDVGLGGVP ADWQDAEVLA DHTSAELSEI LVPFMKFSNN DATA SEQUENCE GHAEMLVKSI GQETAGAGTW DAGLVGVEEA LSGLGVDTAG LVLNDGSGLS DATA SEQUENCE RGNLVTADTV VDLLGQAGSA PWAQTWSASL PVAGESDPFV GGTLANRMRG DATA SEQUENCE TAAEGVVEAK TGTMSGVSAL SGYVPGPEGE LAFSIVNNGH SGPAPLAVQD DATA SEQUENCE AIAVRLAEYA GHQAPE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 R HA 0.000 nan 4.340 nan 0.000 0.208 1 R C 0.000 176.399 176.300 0.165 0.000 0.893 1 R CA 0.000 56.154 56.100 0.090 0.000 0.921 1 R CB 0.000 30.335 30.300 0.058 0.000 0.687 2 L N 0.267 121.605 121.223 0.191 0.000 2.201 2 L HA 0.055 4.395 4.340 -0.000 0.000 0.212 2 L C 1.493 178.431 176.870 0.114 0.000 1.105 2 L CA 1.468 56.426 54.840 0.196 0.000 0.775 2 L CB -0.520 41.623 42.059 0.141 0.000 0.913 2 L HN 0.545 nan 8.230 nan 0.000 0.440 3 T N -0.232 114.374 114.554 0.087 0.000 2.822 3 T HA -0.192 4.157 4.350 -0.000 0.000 0.270 3 T C 1.764 176.505 174.700 0.070 0.000 1.064 3 T CA 1.740 63.879 62.100 0.065 0.000 1.131 3 T CB -0.260 68.637 68.868 0.048 0.000 0.858 3 T HN 0.476 nan 8.240 nan 0.000 0.483 4 E N 0.315 120.566 120.200 0.084 0.000 2.016 4 E HA -0.064 4.286 4.350 -0.000 0.000 0.190 4 E C 2.237 178.883 176.600 0.077 0.000 0.985 4 E CA 0.846 57.294 56.400 0.079 0.000 0.802 4 E CB -0.253 29.499 29.700 0.087 0.000 0.762 4 E HN 0.325 nan 8.360 nan 0.000 0.448 5 L N 1.533 122.814 121.223 0.098 0.000 2.013 5 L HA -0.228 4.112 4.340 -0.000 0.000 0.212 5 L C 2.381 179.263 176.870 0.021 0.000 1.073 5 L CA 1.744 56.601 54.840 0.029 0.000 0.753 5 L CB -0.180 41.817 42.059 -0.103 0.000 0.890 5 L HN -0.021 nan 8.230 nan 0.000 0.432 6 R N -0.225 120.335 120.500 0.099 0.000 2.083 6 R HA -0.206 4.134 4.340 -0.000 0.000 0.237 6 R C 2.188 178.603 176.300 0.193 0.000 1.137 6 R CA 1.841 58.089 56.100 0.247 0.000 0.951 6 R CB -0.562 29.845 30.300 0.178 0.000 0.851 6 R HN 0.719 nan 8.270 nan 0.000 0.434 7 E N 0.594 120.855 120.200 0.102 0.000 2.274 7 E HA -0.153 4.196 4.350 -0.000 0.000 0.194 7 E C 0.841 177.464 176.600 0.038 0.000 0.996 7 E CA 1.101 57.544 56.400 0.071 0.000 0.840 7 E CB -0.000 29.730 29.700 0.050 0.000 0.772 7 E HN 0.278 nan 8.360 nan 0.000 0.491 8 D N 1.406 121.816 120.400 0.017 0.000 2.103 8 D HA -0.080 4.560 4.640 -0.000 0.000 0.199 8 D C 2.167 178.433 176.300 -0.057 0.000 0.978 8 D CA 0.961 54.952 54.000 -0.016 0.000 0.829 8 D CB -0.108 40.681 40.800 -0.019 0.000 0.981 8 D HN 0.299 nan 8.370 nan 0.000 0.464 9 I N 1.366 121.868 120.570 -0.114 0.000 2.226 9 I HA -0.248 3.922 4.170 -0.000 0.000 0.245 9 I C 1.911 177.950 176.117 -0.131 0.000 1.100 9 I CA 1.010 62.165 61.300 -0.241 0.000 1.374 9 I CB -0.121 37.496 38.000 -0.639 0.000 1.057 9 I HN -0.163 nan 8.210 nan 0.000 0.413 10 D N 0.900 121.303 120.400 0.005 0.000 2.158 10 D HA -0.179 4.461 4.640 -0.000 0.000 0.197 10 D C 2.135 178.449 176.300 0.022 0.000 0.995 10 D CA 1.656 55.699 54.000 0.072 0.000 0.846 10 D CB -0.044 40.819 40.800 0.105 0.000 0.941 10 D HN 0.396 nan 8.370 nan 0.000 0.456 11 A N -0.245 122.576 122.820 0.001 0.000 2.030 11 A HA 0.068 4.388 4.320 -0.000 0.000 0.215 11 A C 2.254 179.824 177.584 -0.022 0.000 1.164 11 A CA 0.102 52.136 52.037 -0.005 0.000 0.697 11 A CB -0.311 18.687 19.000 -0.003 0.000 0.827 11 A HN 0.158 nan 8.150 nan 0.000 0.457 12 I N -0.042 120.502 120.570 -0.043 0.000 2.286 12 I HA -0.233 3.936 4.170 -0.000 0.000 0.248 12 I C 1.684 177.771 176.117 -0.049 0.000 1.115 12 I CA 1.093 62.359 61.300 -0.056 0.000 1.392 12 I CB -0.196 37.752 38.000 -0.087 0.000 1.065 12 I HN 0.236 nan 8.210 nan 0.000 0.418 13 L N 0.359 121.556 121.223 -0.042 0.000 2.610 13 L HA -0.024 4.315 4.340 -0.000 0.000 0.232 13 L C 1.389 178.254 176.870 -0.007 0.000 1.149 13 L CA 0.378 55.203 54.840 -0.024 0.000 0.872 13 L CB -0.292 41.763 42.059 -0.006 0.000 0.992 13 L HN 0.181 nan 8.230 nan 0.000 0.447 14 E N 0.009 120.204 120.200 -0.008 0.000 2.394 14 E HA 0.045 4.395 4.350 -0.000 0.000 0.191 14 E C -0.261 176.336 176.600 -0.006 0.000 1.044 14 E CA -0.040 56.359 56.400 -0.001 0.000 0.939 14 E CB 0.032 29.734 29.700 0.003 0.000 1.089 14 E HN 0.366 nan 8.360 nan 0.000 0.456 15 D N 1.463 121.855 120.400 -0.014 0.000 2.472 15 D HA -0.041 4.599 4.640 -0.000 0.000 0.237 15 D C -1.132 175.162 176.300 -0.009 0.000 1.141 15 D CA -1.179 52.811 54.000 -0.017 0.000 0.875 15 D CB 1.183 41.965 40.800 -0.030 0.000 1.192 15 D HN -0.079 nan 8.370 nan 0.000 0.450 16 P HA -0.208 nan 4.420 nan 0.000 0.217 16 P C 0.606 177.908 177.300 0.005 0.000 1.148 16 P CA 1.079 64.179 63.100 0.001 0.000 0.828 16 P CB -0.044 31.656 31.700 -0.000 0.000 0.783 17 A N -1.605 121.211 122.820 -0.006 0.000 2.248 17 A HA -0.009 4.311 4.320 -0.000 0.000 0.210 17 A C 1.655 179.238 177.584 -0.002 0.000 1.174 17 A CA 0.824 52.857 52.037 -0.007 0.000 0.750 17 A CB -0.890 18.089 19.000 -0.035 0.000 0.780 17 A HN 0.160 nan 8.150 nan 0.000 0.478 18 L N -0.484 120.742 121.223 0.005 0.000 3.333 18 L HA 0.257 4.597 4.340 -0.000 0.000 0.299 18 L C -0.291 176.599 176.870 0.034 0.000 1.256 18 L CA -0.072 54.777 54.840 0.015 0.000 1.037 18 L CB 0.360 42.410 42.059 -0.014 0.000 1.423 18 L HN 0.148 nan 8.230 nan 0.000 0.605 19 E N 0.187 120.407 120.200 0.034 0.000 2.376 19 E HA 0.384 4.734 4.350 -0.000 0.000 0.266 19 E C 1.210 177.834 176.600 0.040 0.000 1.009 19 E CA 0.762 57.180 56.400 0.031 0.000 0.902 19 E CB 0.601 30.316 29.700 0.024 0.000 0.972 19 E HN 0.350 nan 8.360 nan 0.000 0.439 20 G N 2.146 110.966 108.800 0.034 0.000 2.212 20 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.266 20 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.266 20 G C 0.496 175.421 174.900 0.042 0.000 0.978 20 G CA 0.345 45.465 45.100 0.033 0.000 0.632 20 G HN 0.798 nan 8.290 nan 0.000 0.537 21 A N -0.578 122.278 122.820 0.060 0.000 2.264 21 A HA 0.811 5.131 4.320 -0.000 0.000 0.304 21 A C 0.298 177.920 177.584 0.063 0.000 1.100 21 A CA 0.213 52.299 52.037 0.081 0.000 0.839 21 A CB 1.348 20.432 19.000 0.140 0.000 1.121 21 A HN 1.182 nan 8.150 nan 0.000 0.496 22 V N 1.083 121.037 119.914 0.067 0.000 2.427 22 V HA 0.576 4.696 4.120 -0.000 0.000 0.286 22 V C -0.086 176.046 176.094 0.063 0.000 1.034 22 V CA -0.336 61.996 62.300 0.055 0.000 0.893 22 V CB 1.183 33.032 31.823 0.045 0.000 0.982 22 V HN 0.800 nan 8.190 nan 0.000 0.452 23 S N 2.515 118.248 115.700 0.056 0.000 2.672 23 S HA 0.657 5.126 4.470 -0.000 0.000 0.291 23 S C 0.167 174.805 174.600 0.063 0.000 1.145 23 S CA -0.596 57.637 58.200 0.055 0.000 1.013 23 S CB 1.795 65.020 63.200 0.041 0.000 1.017 23 S HN 1.103 nan 8.310 nan 0.000 0.487 24 G N 1.514 110.352 108.800 0.063 0.000 2.320 24 G HA2 0.554 4.514 3.960 -0.000 0.000 0.300 24 G HA3 0.554 4.514 3.960 -0.000 0.000 0.300 24 G C -0.830 174.125 174.900 0.092 0.000 1.126 24 G CA -0.450 44.694 45.100 0.074 0.000 0.896 24 G HN 0.609 nan 8.290 nan 0.000 0.436 25 V N 3.006 123.000 119.914 0.134 0.000 2.525 25 V HA 0.536 4.655 4.120 -0.000 0.000 0.299 25 V C -0.499 175.744 176.094 0.248 0.000 1.034 25 V CA -0.671 61.730 62.300 0.168 0.000 0.863 25 V CB 1.770 33.677 31.823 0.140 0.000 0.999 25 V HN 0.556 nan 8.190 nan 0.000 0.423 26 V N 5.233 125.268 119.914 0.202 0.000 2.623 26 V HA 0.584 4.704 4.120 -0.000 0.000 0.304 26 V C -0.629 175.578 176.094 0.189 0.000 1.054 26 V CA -0.594 61.822 62.300 0.194 0.000 0.882 26 V CB 2.308 34.200 31.823 0.116 0.000 1.002 26 V HN 0.605 nan 8.190 nan 0.000 0.424 27 V N 4.960 124.989 119.914 0.192 0.000 2.540 27 V HA 0.700 4.820 4.120 -0.000 0.000 0.302 27 V C -0.482 175.680 176.094 0.113 0.000 1.035 27 V CA -0.659 61.733 62.300 0.152 0.000 0.873 27 V CB 1.995 33.871 31.823 0.088 0.000 0.992 27 V HN 0.589 nan 8.190 nan 0.000 0.428 28 V N 2.956 122.938 119.914 0.113 0.000 2.638 28 V HA 0.405 4.525 4.120 -0.000 0.000 0.306 28 V C -0.510 175.650 176.094 0.110 0.000 1.052 28 V CA -0.638 61.719 62.300 0.094 0.000 0.885 28 V CB 2.141 34.014 31.823 0.084 0.000 0.999 28 V HN 0.962 nan 8.190 nan 0.000 0.424 29 D N 2.674 123.134 120.400 0.101 0.000 2.348 29 D HA 0.080 4.720 4.640 -0.000 0.000 0.253 29 D C 0.928 177.289 176.300 0.102 0.000 1.161 29 D CA 0.241 54.311 54.000 0.117 0.000 0.876 29 D CB 2.070 42.944 40.800 0.123 0.000 1.160 29 D HN 0.575 nan 8.370 nan 0.000 0.459 30 T N 2.843 117.464 114.554 0.113 0.000 2.985 30 T HA 0.000 4.350 4.350 -0.000 0.000 0.266 30 T C 1.608 176.346 174.700 0.063 0.000 1.076 30 T CA 1.215 63.372 62.100 0.096 0.000 1.135 30 T CB 0.152 69.091 68.868 0.119 0.000 0.890 30 T HN 0.577 nan 8.240 nan 0.000 0.480 31 A N 1.302 124.157 122.820 0.060 0.000 1.854 31 A HA -0.052 4.268 4.320 -0.000 0.000 0.214 31 A C 2.580 180.186 177.584 0.037 0.000 1.192 31 A CA 2.087 54.148 52.037 0.040 0.000 0.611 31 A CB -1.172 17.852 19.000 0.039 0.000 0.832 31 A HN 0.582 nan 8.150 nan 0.000 0.442 32 T N -3.591 110.991 114.554 0.047 0.000 2.985 32 T HA 0.308 4.658 4.350 -0.000 0.000 0.266 32 T C 1.436 176.161 174.700 0.040 0.000 1.076 32 T CA 1.253 63.378 62.100 0.042 0.000 1.135 32 T CB -0.605 68.293 68.868 0.050 0.000 0.890 32 T HN 1.826 nan 8.240 nan 0.000 0.480 33 G N 1.389 110.218 108.800 0.048 0.000 2.273 33 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.280 33 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.280 33 G C -0.299 174.627 174.900 0.044 0.000 1.047 33 G CA 0.305 45.432 45.100 0.045 0.000 0.869 33 G HN 0.806 nan 8.290 nan 0.000 0.502 34 E N 0.052 120.283 120.200 0.052 0.000 2.151 34 E HA 0.287 4.637 4.350 -0.000 0.000 0.275 34 E C 0.067 176.696 176.600 0.049 0.000 0.936 34 E CA -0.667 55.762 56.400 0.047 0.000 0.777 34 E CB 0.649 30.380 29.700 0.052 0.000 1.108 34 E HN 0.364 nan 8.360 nan 0.000 0.401 35 E N 5.213 125.435 120.200 0.036 0.000 1.800 35 E HA -0.031 4.319 4.350 -0.000 0.000 0.262 35 E C 1.037 177.652 176.600 0.025 0.000 1.219 35 E CA -0.120 56.298 56.400 0.031 0.000 1.051 35 E CB 0.088 29.796 29.700 0.013 0.000 1.074 35 E HN 0.641 nan 8.360 nan 0.000 0.433 36 L N 3.447 124.691 121.223 0.035 0.000 2.079 36 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 36 L C 0.535 177.438 176.870 0.054 0.000 1.081 36 L CA 1.228 56.072 54.840 0.007 0.000 0.752 36 L CB -0.063 41.958 42.059 -0.064 0.000 0.896 36 L HN 0.523 nan 8.230 nan 0.000 0.433 37 Y N -1.716 118.551 120.300 -0.054 0.000 2.519 37 Y HA 0.421 4.971 4.550 -0.000 0.000 0.336 37 Y C -0.890 175.003 175.900 -0.012 0.000 1.089 37 Y CA -1.025 57.050 58.100 -0.042 0.000 1.025 37 Y CB 1.938 40.362 38.460 -0.061 0.000 1.318 37 Y HN -0.275 nan 8.280 nan 0.000 0.452 38 S N 5.901 121.345 115.700 -0.428 0.000 2.653 38 S HA 0.520 4.989 4.470 -0.000 0.000 0.268 38 S C -2.001 172.434 174.600 -0.276 0.000 1.153 38 S CA -0.716 57.378 58.200 -0.176 0.000 1.036 38 S CB 0.621 63.766 63.200 -0.091 0.000 1.103 38 S HN 0.867 nan 8.310 nan 0.000 0.466 39 R N 3.483 123.958 120.500 -0.042 0.000 2.575 39 R HA 0.383 4.723 4.340 -0.000 0.000 0.293 39 R C -0.980 175.351 176.300 0.052 0.000 0.983 39 R CA -0.296 55.804 56.100 0.001 0.000 0.887 39 R CB 0.704 31.069 30.300 0.109 0.000 1.184 39 R HN 0.726 nan 8.270 nan 0.000 0.445 40 D N 3.302 123.716 120.400 0.023 0.000 2.686 40 D HA -0.166 4.474 4.640 -0.000 0.000 0.235 40 D C 0.650 176.971 176.300 0.035 0.000 1.160 40 D CA 1.278 55.295 54.000 0.028 0.000 0.645 40 D CB -0.671 40.151 40.800 0.037 0.000 1.039 40 D HN 0.939 nan 8.370 nan 0.000 0.423 41 G N -0.081 108.736 108.800 0.029 0.000 2.650 41 G HA2 0.107 4.067 3.960 -0.000 0.000 0.214 41 G HA3 0.107 4.067 3.960 -0.000 0.000 0.214 41 G C 1.468 176.387 174.900 0.032 0.000 1.136 41 G CA 0.682 45.804 45.100 0.037 0.000 0.789 41 G HN 0.455 nan 8.290 nan 0.000 0.536 42 G N -0.433 108.381 108.800 0.022 0.000 3.126 42 G HA2 0.225 4.185 3.960 -0.000 0.000 0.224 42 G HA3 0.225 4.185 3.960 -0.000 0.000 0.224 42 G C 0.266 175.176 174.900 0.017 0.000 1.142 42 G CA -0.247 44.864 45.100 0.018 0.000 0.759 42 G HN 0.316 nan 8.290 nan 0.000 0.550 43 E N 1.398 121.611 120.200 0.021 0.000 2.299 43 E HA 0.214 4.563 4.350 -0.000 0.000 0.272 43 E C 0.288 176.899 176.600 0.018 0.000 1.043 43 E CA -0.040 56.372 56.400 0.019 0.000 0.895 43 E CB 0.324 30.038 29.700 0.024 0.000 1.011 43 E HN 0.287 nan 8.360 nan 0.000 0.432 44 Q N 3.569 123.376 119.800 0.010 0.000 2.297 44 Q HA 0.333 4.673 4.340 -0.000 0.000 0.267 44 Q C -0.501 175.502 176.000 0.005 0.000 1.006 44 Q CA 0.153 55.958 55.803 0.003 0.000 0.896 44 Q CB 0.671 29.406 28.738 -0.005 0.000 1.186 44 Q HN 0.455 nan 8.270 nan 0.000 0.392 45 L N 2.243 123.469 121.223 0.004 0.000 2.424 45 L HA 0.406 4.746 4.340 -0.000 0.000 0.258 45 L C -0.981 175.890 176.870 0.000 0.000 0.995 45 L CA -1.265 53.581 54.840 0.010 0.000 0.821 45 L CB 1.354 43.428 42.059 0.024 0.000 1.383 45 L HN 0.400 nan 8.230 nan 0.000 0.410 46 L N 3.646 124.868 121.223 -0.001 0.000 2.462 46 L HA 0.143 4.483 4.340 -0.000 0.000 0.272 46 L C -1.418 175.451 176.870 -0.002 0.000 1.166 46 L CA -0.536 54.297 54.840 -0.011 0.000 0.880 46 L CB 0.049 42.095 42.059 -0.020 0.000 1.142 46 L HN 0.411 nan 8.230 nan 0.000 0.473 47 P HA 0.039 nan 4.420 nan 0.000 0.240 47 P C 0.755 178.056 177.300 0.002 0.000 1.190 47 P CA 0.872 63.983 63.100 0.018 0.000 0.781 47 P CB 0.415 32.141 31.700 0.043 0.000 0.931 48 A N 0.801 123.606 122.820 -0.024 0.000 5.568 48 A HA -0.291 4.029 4.320 -0.000 0.000 0.322 48 A C 1.779 179.344 177.584 -0.031 0.000 1.802 48 A CA 1.922 53.928 52.037 -0.053 0.000 0.727 48 A CB -2.377 16.583 19.000 -0.067 0.000 1.362 48 A HN 0.199 nan 8.150 nan 0.000 0.396 49 S N 0.872 116.543 115.700 -0.049 0.000 2.595 49 S HA -0.046 4.424 4.470 -0.000 0.000 0.235 49 S C 1.231 175.823 174.600 -0.014 0.000 0.974 49 S CA 1.079 59.258 58.200 -0.034 0.000 0.942 49 S CB -0.762 62.396 63.200 -0.069 0.000 0.766 49 S HN 0.593 nan 8.310 nan 0.000 0.536 50 N N 1.226 119.932 118.700 0.009 0.000 2.494 50 N HA 0.089 4.829 4.740 -0.000 0.000 0.182 50 N C 1.365 176.982 175.510 0.178 0.000 1.076 50 N CA 0.246 53.322 53.050 0.043 0.000 0.908 50 N CB -0.253 38.259 38.487 0.041 0.000 0.967 50 N HN 0.244 nan 8.380 nan 0.000 0.449 51 M N 0.968 120.680 119.600 0.186 0.000 2.202 51 M HA -0.089 4.390 4.480 -0.000 0.000 0.262 51 M C 1.363 177.869 176.300 0.344 0.000 1.063 51 M CA 1.499 56.973 55.300 0.290 0.000 1.097 51 M CB -0.060 32.633 32.600 0.154 0.000 1.382 51 M HN -0.057 nan 8.290 nan 0.000 0.413 52 K N -0.484 120.033 120.400 0.195 0.000 2.211 52 K HA -0.131 4.189 4.320 -0.000 0.000 0.204 52 K C 1.787 178.479 176.600 0.154 0.000 1.047 52 K CA 1.308 57.692 56.287 0.162 0.000 0.935 52 K CB -0.451 32.033 32.500 -0.026 0.000 0.728 52 K HN 0.396 nan 8.250 nan 0.000 0.452 53 L N -0.341 120.940 121.223 0.096 0.000 2.127 53 L HA -0.179 4.160 4.340 -0.000 0.000 0.211 53 L C 2.038 178.996 176.870 0.146 0.000 1.089 53 L CA 1.296 56.206 54.840 0.116 0.000 0.757 53 L CB -0.428 41.599 42.059 -0.052 0.000 0.899 53 L HN 0.082 nan 8.230 nan 0.000 0.434 54 F N -0.454 119.616 119.950 0.200 0.000 2.187 54 F HA -0.134 4.393 4.527 -0.000 0.000 0.295 54 F C 2.646 178.538 175.800 0.152 0.000 1.091 54 F CA 1.388 59.479 58.000 0.152 0.000 1.308 54 F CB -0.999 38.063 39.000 0.104 0.000 1.030 54 F HN -0.058 nan 8.300 nan 0.000 0.487 55 T N 0.069 114.836 114.554 0.355 0.000 2.708 55 T HA -0.200 4.150 4.350 -0.000 0.000 0.266 55 T C 2.331 177.182 174.700 0.252 0.000 1.037 55 T CA 1.353 63.622 62.100 0.283 0.000 1.146 55 T CB -0.766 68.297 68.868 0.325 0.000 0.865 55 T HN 0.277 nan 8.240 nan 0.000 0.435 56 A N 1.640 124.655 122.820 0.325 0.000 1.883 56 A HA 0.077 4.397 4.320 -0.000 0.000 0.217 56 A C 2.662 180.312 177.584 0.110 0.000 1.186 56 A CA 2.062 54.292 52.037 0.322 0.000 0.624 56 A CB -1.233 18.000 19.000 0.389 0.000 0.822 56 A HN 0.526 nan 8.150 nan 0.000 0.444 57 A N -0.248 122.625 122.820 0.088 0.000 1.855 57 A HA 0.182 4.502 4.320 -0.000 0.000 0.215 57 A C 2.566 180.072 177.584 -0.130 0.000 1.191 57 A CA 2.240 54.146 52.037 -0.219 0.000 0.613 57 A CB -1.251 17.623 19.000 -0.210 0.000 0.829 57 A HN 1.182 nan 8.150 nan 0.000 0.442 58 A N 0.036 122.865 122.820 0.015 0.000 1.903 58 A HA -0.019 4.301 4.320 -0.000 0.000 0.219 58 A C 2.533 180.099 177.584 -0.031 0.000 1.191 58 A CA 2.786 54.840 52.037 0.028 0.000 0.638 58 A CB -1.212 17.836 19.000 0.079 0.000 0.823 58 A HN 1.221 nan 8.150 nan 0.000 0.451 59 A N -0.892 121.909 122.820 -0.032 0.000 1.933 59 A HA -0.004 4.316 4.320 -0.000 0.000 0.218 59 A C 2.189 179.689 177.584 -0.140 0.000 1.175 59 A CA 1.579 53.583 52.037 -0.055 0.000 0.628 59 A CB -0.521 18.483 19.000 0.008 0.000 0.814 59 A HN 0.483 nan 8.150 nan 0.000 0.444 60 L N -1.345 119.703 121.223 -0.292 0.000 2.072 60 L HA -0.110 4.230 4.340 -0.000 0.000 0.205 60 L C 2.579 179.251 176.870 -0.329 0.000 1.079 60 L CA 1.583 56.130 54.840 -0.488 0.000 0.752 60 L CB -0.304 41.042 42.059 -1.188 0.000 0.906 60 L HN 0.435 nan 8.230 nan 0.000 0.436 61 E N -0.345 119.735 120.200 -0.201 0.000 2.072 61 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 61 E C 2.086 178.706 176.600 0.032 0.000 0.985 61 E CA 1.110 57.552 56.400 0.069 0.000 0.801 61 E CB 0.069 29.859 29.700 0.150 0.000 0.750 61 E HN 0.161 nan 8.360 nan 0.000 0.452 62 V N 0.063 119.965 119.914 -0.019 0.000 2.273 62 V HA -0.167 3.953 4.120 -0.000 0.000 0.242 62 V C 2.204 178.268 176.094 -0.050 0.000 1.035 62 V CA 1.634 63.919 62.300 -0.025 0.000 1.013 62 V CB -0.316 31.483 31.823 -0.039 0.000 0.652 62 V HN 0.277 nan 8.190 nan 0.000 0.452 63 L N -0.477 120.681 121.223 -0.107 0.000 2.249 63 L HA 0.460 4.800 4.340 -0.000 0.000 0.207 63 L C 1.089 177.920 176.870 -0.065 0.000 1.090 63 L CA 0.832 55.560 54.840 -0.186 0.000 0.802 63 L CB -0.489 41.302 42.059 -0.447 0.000 0.947 63 L HN 0.533 nan 8.230 nan 0.000 0.453 64 G N -0.774 107.999 108.800 -0.045 0.000 2.712 64 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.686 64 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.686 64 G C 0.372 175.278 174.900 0.010 0.000 1.181 64 G CA -0.398 44.707 45.100 0.008 0.000 0.762 64 G HN 0.173 nan 8.290 nan 0.000 0.641 65 A N 0.227 123.064 122.820 0.029 0.000 2.172 65 A HA 0.169 4.489 4.320 -0.000 0.000 0.216 65 A C 1.881 179.497 177.584 0.053 0.000 1.154 65 A CA 2.175 54.240 52.037 0.046 0.000 0.701 65 A CB -0.220 18.839 19.000 0.098 0.000 0.789 65 A HN 1.235 nan 8.150 nan 0.000 0.465 66 D N -1.920 118.507 120.400 0.044 0.000 2.369 66 D HA 0.018 4.658 4.640 -0.000 0.000 0.211 66 D C 0.397 176.680 176.300 -0.029 0.000 1.077 66 D CA -0.326 53.682 54.000 0.014 0.000 0.842 66 D CB -0.946 39.861 40.800 0.011 0.000 0.947 66 D HN 0.532 nan 8.370 nan 0.000 0.509 67 H N 1.479 120.473 119.070 -0.126 0.000 2.975 67 H HA 0.250 4.806 4.556 -0.000 0.000 0.303 67 H C 0.154 175.265 175.328 -0.362 0.000 1.023 67 H CA 0.102 55.998 56.048 -0.254 0.000 1.473 67 H CB 0.548 30.128 29.762 -0.303 0.000 1.498 67 H HN 0.042 nan 8.280 nan 0.000 0.549 68 S N 3.999 119.258 115.700 -0.736 0.000 2.664 68 S HA 0.581 5.051 4.470 -0.000 0.000 0.304 68 S C -0.961 173.145 174.600 -0.823 0.000 1.099 68 S CA -0.901 56.971 58.200 -0.547 0.000 1.003 68 S CB 1.336 64.341 63.200 -0.325 0.000 1.092 68 S HN 0.411 nan 8.310 nan 0.000 0.525 69 F N 0.001 119.822 119.950 -0.215 0.000 2.532 69 F HA 0.712 5.239 4.527 -0.000 0.000 0.321 69 F C 0.870 176.546 175.800 -0.207 0.000 1.089 69 F CA -0.450 57.449 58.000 -0.169 0.000 0.926 69 F CB 2.289 41.243 39.000 -0.077 0.000 1.168 69 F HN 0.960 nan 8.300 nan 0.000 0.459 70 G N 0.511 109.273 108.800 -0.064 0.000 2.432 70 G HA2 0.667 4.627 3.960 -0.000 0.000 0.331 70 G HA3 0.667 4.627 3.960 -0.000 0.000 0.331 70 G C -1.370 173.447 174.900 -0.138 0.000 1.170 70 G CA -0.643 44.374 45.100 -0.139 0.000 0.943 70 G HN 0.524 nan 8.290 nan 0.000 0.483 71 T N 0.785 115.279 114.554 -0.100 0.000 2.952 71 T HA 0.556 4.906 4.350 -0.000 0.000 0.305 71 T C -0.862 173.783 174.700 -0.091 0.000 1.064 71 T CA -0.538 61.500 62.100 -0.102 0.000 1.008 71 T CB 2.304 71.135 68.868 -0.062 0.000 1.078 71 T HN 0.537 nan 8.240 nan 0.000 0.459 72 E N 1.093 121.226 120.200 -0.112 0.000 2.317 72 E HA 0.623 4.973 4.350 -0.000 0.000 0.270 72 E C -1.255 175.305 176.600 -0.066 0.000 0.885 72 E CA -0.941 55.414 56.400 -0.076 0.000 0.760 72 E CB 2.449 32.109 29.700 -0.067 0.000 1.227 72 E HN 0.314 nan 8.360 nan 0.000 0.434 73 V N 1.669 121.572 119.914 -0.018 0.000 2.357 73 V HA 0.699 4.819 4.120 -0.000 0.000 0.284 73 V C -0.361 175.802 176.094 0.114 0.000 1.018 73 V CA -0.559 61.773 62.300 0.052 0.000 0.841 73 V CB 1.008 32.897 31.823 0.110 0.000 0.991 73 V HN 0.719 nan 8.190 nan 0.000 0.437 74 A N 4.029 126.958 122.820 0.181 0.000 2.374 74 A HA 1.029 5.349 4.320 -0.000 0.000 0.317 74 A C -0.236 177.542 177.584 0.322 0.000 1.094 74 A CA -0.231 51.927 52.037 0.203 0.000 0.765 74 A CB 1.880 20.979 19.000 0.164 0.000 1.268 74 A HN 1.361 nan 8.150 nan 0.000 0.438 75 A N 0.286 123.251 122.820 0.242 0.000 2.479 75 A HA 0.694 5.014 4.320 -0.000 0.000 0.296 75 A C 0.634 178.190 177.584 -0.047 0.000 1.121 75 A CA 0.118 52.280 52.037 0.209 0.000 0.743 75 A CB 1.006 20.078 19.000 0.120 0.000 1.323 75 A HN 0.949 nan 8.150 nan 0.000 0.415 76 E N 0.445 120.351 120.200 -0.489 0.000 2.015 76 E HA -0.034 4.315 4.350 -0.000 0.000 0.191 76 E C 0.397 176.770 176.600 -0.379 0.000 0.991 76 E CA 1.513 57.406 56.400 -0.845 0.000 0.802 76 E CB 0.046 28.868 29.700 -1.463 0.000 0.759 76 E HN 0.675 nan 8.360 nan 0.000 0.447 77 S N -0.301 115.239 115.700 -0.267 0.000 2.745 77 S HA 0.617 5.087 4.470 -0.000 0.000 0.292 77 S C -0.260 174.290 174.600 -0.083 0.000 1.133 77 S CA -0.556 57.555 58.200 -0.148 0.000 0.998 77 S CB 1.656 64.781 63.200 -0.125 0.000 1.087 77 S HN 0.442 nan 8.310 nan 0.000 0.551 78 A N 2.106 124.894 122.820 -0.053 0.000 2.386 78 A HA 0.508 4.828 4.320 -0.000 0.000 0.246 78 A C -2.280 175.289 177.584 -0.026 0.000 1.089 78 A CA -1.193 50.828 52.037 -0.027 0.000 0.790 78 A CB -0.991 17.997 19.000 -0.020 0.000 1.042 78 A HN 0.573 nan 8.150 nan 0.000 0.497 79 P HA 0.069 nan 4.420 nan 0.000 0.265 79 P C 0.642 177.934 177.300 -0.014 0.000 1.187 79 P CA 0.683 63.778 63.100 -0.009 0.000 0.766 79 P CB 0.146 31.845 31.700 -0.002 0.000 0.820 80 G N 2.998 111.789 108.800 -0.014 0.000 2.486 80 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.272 80 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.272 80 G C 1.161 176.055 174.900 -0.011 0.000 1.426 80 G CA -0.452 44.639 45.100 -0.015 0.000 1.058 80 G HN 0.459 nan 8.290 nan 0.000 0.531 81 R N -0.771 119.722 120.500 -0.010 0.000 2.090 81 R HA 0.017 4.356 4.340 -0.000 0.000 0.228 81 R C 2.214 178.510 176.300 -0.007 0.000 1.110 81 R CA 0.877 56.972 56.100 -0.009 0.000 0.973 81 R CB -0.099 30.196 30.300 -0.008 0.000 0.869 81 R HN 0.297 nan 8.270 nan 0.000 0.440 82 R N 0.180 120.676 120.500 -0.007 0.000 2.320 82 R HA 0.103 4.443 4.340 -0.000 0.000 0.211 82 R C 0.601 176.897 176.300 -0.007 0.000 0.931 82 R CA 0.499 56.595 56.100 -0.006 0.000 1.071 82 R CB 0.617 30.914 30.300 -0.005 0.000 1.025 82 R HN 0.506 nan 8.270 nan 0.000 0.495 83 G N 1.533 110.329 108.800 -0.006 0.000 2.141 83 G HA2 -0.271 3.688 3.960 -0.000 0.000 0.242 83 G HA3 -0.271 3.688 3.960 -0.000 0.000 0.242 83 G C -0.179 174.719 174.900 -0.004 0.000 0.982 83 G CA 0.213 45.309 45.100 -0.006 0.000 0.662 83 G HN 0.420 nan 8.290 nan 0.000 0.527 84 E N 0.681 120.879 120.200 -0.004 0.000 2.266 84 E HA 0.597 4.947 4.350 -0.000 0.000 0.277 84 E C 0.387 176.988 176.600 0.002 0.000 1.018 84 E CA -0.111 56.289 56.400 -0.000 0.000 0.840 84 E CB 1.983 31.683 29.700 0.000 0.000 1.082 84 E HN 1.062 nan 8.360 nan 0.000 0.395 85 V N 0.323 120.244 119.914 0.012 0.000 3.103 85 V HA 0.356 4.476 4.120 -0.000 0.000 0.318 85 V C 0.669 176.785 176.094 0.036 0.000 1.114 85 V CA -0.834 61.477 62.300 0.019 0.000 1.020 85 V CB 1.495 33.340 31.823 0.037 0.000 1.085 85 V HN 0.716 nan 8.190 nan 0.000 0.446 86 Q N 0.822 120.652 119.800 0.050 0.000 1.714 86 Q HA 0.232 4.572 4.340 -0.000 0.000 0.383 86 Q C 0.232 176.314 176.000 0.137 0.000 0.936 86 Q CA 1.206 57.059 55.803 0.083 0.000 0.888 86 Q CB -0.234 28.555 28.738 0.084 0.000 0.973 86 Q HN 0.924 nan 8.270 nan 0.000 0.420 87 D N 0.099 120.646 120.400 0.245 0.000 2.329 87 D HA 0.316 4.956 4.640 -0.000 0.000 0.246 87 D C -0.579 175.930 176.300 0.348 0.000 1.111 87 D CA -0.089 54.096 54.000 0.309 0.000 0.941 87 D CB 0.834 41.933 40.800 0.499 0.000 1.169 87 D HN 0.237 nan 8.370 nan 0.000 0.441 88 L N 1.098 122.461 121.223 0.234 0.000 2.409 88 L HA 0.400 4.740 4.340 -0.000 0.000 0.262 88 L C -1.641 175.323 176.870 0.157 0.000 0.992 88 L CA -0.808 54.194 54.840 0.269 0.000 0.817 88 L CB 1.788 43.951 42.059 0.174 0.000 1.350 88 L HN 0.388 nan 8.230 nan 0.000 0.411 89 Y N 3.181 123.625 120.300 0.240 0.000 2.329 89 Y HA 0.350 4.900 4.550 -0.000 0.000 0.328 89 Y C -0.397 175.556 175.900 0.088 0.000 0.992 89 Y CA -0.572 57.636 58.100 0.180 0.000 1.151 89 Y CB 2.141 40.681 38.460 0.132 0.000 1.150 89 Y HN 0.325 nan 8.280 nan 0.000 0.450 90 L N 5.139 126.446 121.223 0.140 0.000 2.265 90 L HA 0.666 5.006 4.340 -0.000 0.000 0.288 90 L C -1.088 175.775 176.870 -0.012 0.000 1.058 90 L CA -0.454 54.353 54.840 -0.055 0.000 0.809 90 L CB 0.807 42.723 42.059 -0.239 0.000 1.179 90 L HN 0.404 nan 8.230 nan 0.000 0.429 91 V N 5.604 125.482 119.914 -0.060 0.000 2.349 91 V HA 0.597 4.717 4.120 -0.000 0.000 0.284 91 V C 0.623 176.636 176.094 -0.134 0.000 1.014 91 V CA -0.426 61.835 62.300 -0.064 0.000 0.826 91 V CB 1.053 32.839 31.823 -0.062 0.000 1.009 91 V HN 0.919 nan 8.190 nan 0.000 0.431 92 G N 3.624 112.341 108.800 -0.139 0.000 2.356 92 G HA2 0.550 4.510 3.960 -0.000 0.000 0.298 92 G HA3 0.550 4.510 3.960 -0.000 0.000 0.298 92 G C 0.116 174.851 174.900 -0.275 0.000 1.145 92 G CA -0.575 44.412 45.100 -0.189 0.000 0.850 92 G HN 0.672 nan 8.290 nan 0.000 0.487 93 R N 1.442 121.726 120.500 -0.360 0.000 2.748 93 R HA 0.328 4.668 4.340 -0.000 0.000 0.395 93 R C 1.051 177.193 176.300 -0.262 0.000 1.128 93 R CA 0.234 55.951 56.100 -0.638 0.000 1.042 93 R CB 0.866 30.525 30.300 -1.068 0.000 1.392 93 R HN 0.955 nan 8.270 nan 0.000 0.582 94 G N 0.859 109.503 108.800 -0.260 0.000 2.144 94 G HA2 -0.231 3.728 3.960 -0.000 0.000 0.218 94 G HA3 -0.231 3.728 3.960 -0.000 0.000 0.218 94 G C -0.313 174.370 174.900 -0.362 0.000 0.988 94 G CA -0.271 44.695 45.100 -0.224 0.000 0.659 94 G HN 0.392 nan 8.290 nan 0.000 0.522 95 D N 0.999 121.246 120.400 -0.256 0.000 2.412 95 D HA 0.320 4.960 4.640 -0.000 0.000 0.257 95 D C -0.809 175.275 176.300 -0.360 0.000 1.217 95 D CA -1.322 52.496 54.000 -0.303 0.000 0.897 95 D CB 1.199 41.945 40.800 -0.089 0.000 1.132 95 D HN 0.195 nan 8.370 nan 0.000 0.493 96 P HA 0.070 nan 4.420 nan 0.000 0.253 96 P C 0.159 177.259 177.300 -0.334 0.000 1.260 96 P CA 0.475 63.307 63.100 -0.447 0.000 0.800 96 P CB 0.230 31.454 31.700 -0.794 0.000 1.162 97 T N -4.127 110.230 114.554 -0.329 0.000 3.672 97 T HA 0.213 4.563 4.350 -0.000 0.000 0.296 97 T C -0.175 174.436 174.700 -0.148 0.000 0.979 97 T CA -0.398 61.449 62.100 -0.422 0.000 1.013 97 T CB -0.816 67.406 68.868 -1.076 0.000 1.184 97 T HN -0.072 nan 8.240 nan 0.000 0.477 98 L N 3.625 124.830 121.223 -0.032 0.000 2.315 98 L HA 0.500 4.840 4.340 -0.000 0.000 0.283 98 L C 0.684 177.591 176.870 0.062 0.000 1.089 98 L CA -0.172 54.670 54.840 0.003 0.000 0.833 98 L CB 0.895 42.935 42.059 -0.030 0.000 1.170 98 L HN 0.669 nan 8.230 nan 0.000 0.442 99 S N 3.462 119.200 115.700 0.063 0.000 2.730 99 S HA 0.460 4.929 4.470 -0.000 0.000 0.284 99 S C 0.973 175.585 174.600 0.019 0.000 1.153 99 S CA -0.098 58.155 58.200 0.087 0.000 0.995 99 S CB 1.760 65.036 63.200 0.126 0.000 1.058 99 S HN 0.681 nan 8.310 nan 0.000 0.552 100 A N 0.056 122.893 122.820 0.027 0.000 2.066 100 A HA 0.042 4.362 4.320 -0.000 0.000 0.218 100 A C 2.000 179.586 177.584 0.003 0.000 1.157 100 A CA 1.597 53.645 52.037 0.018 0.000 0.670 100 A CB -1.121 17.893 19.000 0.024 0.000 0.804 100 A HN 0.972 nan 8.150 nan 0.000 0.453 101 E N 1.224 121.421 120.200 -0.006 0.000 2.031 101 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 101 E C 1.299 177.872 176.600 -0.045 0.000 0.994 101 E CA 1.808 58.199 56.400 -0.015 0.000 0.800 101 E CB -0.377 29.320 29.700 -0.006 0.000 0.752 101 E HN 0.497 nan 8.360 nan 0.000 0.447 102 D N 0.396 120.730 120.400 -0.110 0.000 2.157 102 D HA -0.218 4.422 4.640 -0.000 0.000 0.191 102 D C 2.094 178.296 176.300 -0.163 0.000 1.004 102 D CA 1.611 55.451 54.000 -0.268 0.000 0.854 102 D CB -0.354 40.160 40.800 -0.476 0.000 0.936 102 D HN 0.310 nan 8.370 nan 0.000 0.446 103 L N 0.204 121.390 121.223 -0.063 0.000 2.093 103 L HA -0.140 4.199 4.340 -0.000 0.000 0.208 103 L C 2.225 179.208 176.870 0.188 0.000 1.085 103 L CA 1.116 55.996 54.840 0.068 0.000 0.755 103 L CB -0.413 41.721 42.059 0.126 0.000 0.904 103 L HN -0.039 nan 8.230 nan 0.000 0.435 104 D N 0.387 120.837 120.400 0.083 0.000 2.097 104 D HA -0.177 4.463 4.640 -0.000 0.000 0.197 104 D C 2.215 178.546 176.300 0.051 0.000 0.984 104 D CA 1.297 55.329 54.000 0.053 0.000 0.826 104 D CB 0.141 40.949 40.800 0.014 0.000 0.973 104 D HN 0.221 nan 8.370 nan 0.000 0.460 105 A N -0.044 122.793 122.820 0.027 0.000 1.978 105 A HA -0.158 4.162 4.320 -0.000 0.000 0.220 105 A C 2.270 179.888 177.584 0.056 0.000 1.170 105 A CA 1.447 53.500 52.037 0.025 0.000 0.636 105 A CB -0.599 18.400 19.000 -0.002 0.000 0.810 105 A HN 0.367 nan 8.150 nan 0.000 0.448 106 M N -1.220 118.433 119.600 0.088 0.000 2.388 106 M HA 0.030 4.510 4.480 -0.000 0.000 0.265 106 M C 2.374 178.808 176.300 0.223 0.000 1.088 106 M CA 0.893 56.272 55.300 0.131 0.000 1.134 106 M CB -0.126 32.523 32.600 0.081 0.000 1.384 106 M HN 0.470 nan 8.290 nan 0.000 0.447 107 A N 0.418 123.388 122.820 0.250 0.000 1.968 107 A HA 0.075 4.394 4.320 -0.000 0.000 0.217 107 A C 2.329 179.931 177.584 0.031 0.000 1.169 107 A CA 1.541 53.644 52.037 0.110 0.000 0.638 107 A CB -0.647 18.325 19.000 -0.046 0.000 0.812 107 A HN 0.442 nan 8.150 nan 0.000 0.446 108 A N 0.099 122.942 122.820 0.038 0.000 1.902 108 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 108 A C 1.900 179.502 177.584 0.029 0.000 1.181 108 A CA 1.621 53.670 52.037 0.020 0.000 0.623 108 A CB -0.503 18.509 19.000 0.019 0.000 0.818 108 A HN 0.621 nan 8.150 nan 0.000 0.443 109 E N -0.388 119.842 120.200 0.049 0.000 2.106 109 E HA -0.106 4.244 4.350 -0.000 0.000 0.192 109 E C 1.873 178.504 176.600 0.052 0.000 0.984 109 E CA 1.189 57.618 56.400 0.049 0.000 0.806 109 E CB -0.209 29.527 29.700 0.060 0.000 0.750 109 E HN 0.418 nan 8.360 nan 0.000 0.458 110 V N 1.004 120.961 119.914 0.070 0.000 2.626 110 V HA -0.201 3.919 4.120 -0.000 0.000 0.252 110 V C 2.115 178.226 176.094 0.029 0.000 1.067 110 V CA 1.682 64.022 62.300 0.066 0.000 1.081 110 V CB -0.365 31.517 31.823 0.099 0.000 0.686 110 V HN 0.290 nan 8.190 nan 0.000 0.468 111 A N -0.046 122.781 122.820 0.012 0.000 1.903 111 A HA 0.165 4.484 4.320 -0.000 0.000 0.213 111 A C 2.388 179.973 177.584 0.003 0.000 1.185 111 A CA 1.246 53.282 52.037 -0.002 0.000 0.628 111 A CB -0.655 18.336 19.000 -0.015 0.000 0.830 111 A HN 0.500 nan 8.150 nan 0.000 0.446 112 A N -0.374 122.452 122.820 0.009 0.000 2.076 112 A HA -0.090 4.230 4.320 -0.000 0.000 0.220 112 A C 2.241 179.832 177.584 0.011 0.000 1.160 112 A CA 1.926 53.968 52.037 0.009 0.000 0.653 112 A CB -0.733 18.275 19.000 0.013 0.000 0.801 112 A HN 0.396 nan 8.150 nan 0.000 0.455 113 S N -1.729 113.981 115.700 0.016 0.000 2.515 113 S HA 0.260 4.730 4.470 -0.000 0.000 0.231 113 S C 1.408 176.014 174.600 0.009 0.000 0.987 113 S CA 1.046 59.255 58.200 0.015 0.000 0.936 113 S CB -0.242 62.973 63.200 0.025 0.000 0.766 113 S HN 1.702 nan 8.310 nan 0.000 0.528 114 G N 0.784 109.587 108.800 0.005 0.000 2.142 114 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.225 114 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.225 114 G C -0.072 174.828 174.900 0.000 0.000 1.015 114 G CA -0.052 45.049 45.100 0.001 0.000 0.716 114 G HN 0.383 nan 8.290 nan 0.000 0.508 115 V N 0.345 120.261 119.914 0.002 0.000 2.432 115 V HA 0.474 4.593 4.120 -0.000 0.000 0.275 115 V C 1.419 177.506 176.094 -0.011 0.000 1.043 115 V CA -0.114 62.185 62.300 -0.000 0.000 0.925 115 V CB 1.406 33.234 31.823 0.008 0.000 0.985 115 V HN 0.412 nan 8.190 nan 0.000 0.466 116 R N 1.832 122.325 120.500 -0.013 0.000 2.287 116 R HA 0.229 4.569 4.340 -0.000 0.000 0.197 116 R C -0.177 176.109 176.300 -0.023 0.000 0.900 116 R CA 0.347 56.436 56.100 -0.019 0.000 1.052 116 R CB 0.937 31.228 30.300 -0.015 0.000 1.117 116 R HN 0.711 nan 8.270 nan 0.000 0.568 117 T N 0.579 115.123 114.554 -0.017 0.000 2.971 117 T HA 0.303 4.653 4.350 -0.000 0.000 0.304 117 T C -0.854 173.841 174.700 -0.009 0.000 1.038 117 T CA -0.486 61.604 62.100 -0.017 0.000 1.007 117 T CB 3.017 71.878 68.868 -0.012 0.000 1.055 117 T HN -0.268 nan 8.240 nan 0.000 0.451 118 V N 4.135 124.041 119.914 -0.013 0.000 2.294 118 V HA 0.288 4.408 4.120 -0.000 0.000 0.272 118 V C 1.275 177.369 176.094 -0.000 0.000 1.027 118 V CA -0.492 61.809 62.300 0.001 0.000 0.823 118 V CB 0.692 32.511 31.823 -0.007 0.000 1.030 118 V HN 0.790 nan 8.190 nan 0.000 0.457 119 R N 2.604 123.111 120.500 0.012 0.000 2.236 119 R HA 0.116 4.456 4.340 -0.000 0.000 0.208 119 R C 1.390 177.701 176.300 0.018 0.000 1.036 119 R CA 0.842 56.949 56.100 0.012 0.000 1.001 119 R CB 0.327 30.636 30.300 0.016 0.000 0.896 119 R HN 0.780 nan 8.270 nan 0.000 0.464 120 G N -0.071 108.749 108.800 0.034 0.000 2.849 120 G HA2 0.125 4.085 3.960 -0.000 0.000 0.174 120 G HA3 0.125 4.085 3.960 -0.000 0.000 0.174 120 G C -0.748 174.146 174.900 -0.010 0.000 1.370 120 G CA -0.529 44.596 45.100 0.042 0.000 1.040 120 G HN -0.042 nan 8.290 nan 0.000 0.582 121 D N -0.176 120.200 120.400 -0.040 0.000 2.229 121 D HA 0.352 4.992 4.640 -0.000 0.000 0.249 121 D C -0.743 175.357 176.300 -0.334 0.000 1.027 121 D CA -0.321 53.533 54.000 -0.243 0.000 0.923 121 D CB 2.632 43.162 40.800 -0.449 0.000 1.174 121 D HN 0.120 nan 8.370 nan 0.000 0.443 122 L N 2.578 123.583 121.223 -0.362 0.000 2.257 122 L HA 0.258 4.598 4.340 -0.000 0.000 0.290 122 L C -1.504 175.104 176.870 -0.436 0.000 1.044 122 L CA -0.270 54.403 54.840 -0.277 0.000 0.810 122 L CB -0.094 41.901 42.059 -0.108 0.000 1.193 122 L HN 0.193 nan 8.230 nan 0.000 0.425 123 Y N 3.631 123.753 120.300 -0.297 0.000 2.387 123 Y HA 0.690 5.240 4.550 -0.000 0.000 0.336 123 Y C 0.446 176.273 175.900 -0.123 0.000 1.067 123 Y CA -0.605 57.321 58.100 -0.290 0.000 1.114 123 Y CB 1.792 39.874 38.460 -0.631 0.000 1.208 123 Y HN 0.707 nan 8.280 nan 0.000 0.458 124 A N 2.649 125.544 122.820 0.126 0.000 2.253 124 A HA 0.306 4.626 4.320 -0.000 0.000 0.316 124 A C -0.880 176.776 177.584 0.121 0.000 1.327 124 A CA -0.575 51.519 52.037 0.095 0.000 0.917 124 A CB 0.021 19.050 19.000 0.050 0.000 1.162 124 A HN 0.659 nan 8.150 nan 0.000 0.535 125 D N 2.878 123.350 120.400 0.120 0.000 2.396 125 D HA 0.227 4.866 4.640 -0.000 0.000 0.225 125 D C -0.539 175.780 176.300 0.032 0.000 1.121 125 D CA -0.178 53.885 54.000 0.104 0.000 0.853 125 D CB 1.130 42.010 40.800 0.132 0.000 1.043 125 D HN 0.552 nan 8.370 nan 0.000 0.500 126 D N 1.397 121.815 120.400 0.029 0.000 2.538 126 D HA -0.064 4.576 4.640 -0.000 0.000 0.231 126 D C 1.219 177.536 176.300 0.028 0.000 1.229 126 D CA -0.179 53.818 54.000 -0.005 0.000 0.828 126 D CB -0.234 40.558 40.800 -0.013 0.000 1.035 126 D HN 0.297 nan 8.370 nan 0.000 0.495 127 T N -4.056 110.534 114.554 0.060 0.000 3.098 127 T HA -0.155 4.194 4.350 -0.000 0.000 0.266 127 T C 1.473 176.266 174.700 0.155 0.000 1.145 127 T CA 0.047 62.196 62.100 0.081 0.000 1.092 127 T CB -0.937 67.961 68.868 0.049 0.000 0.908 127 T HN 0.407 nan 8.240 nan 0.000 0.526 128 W N 1.198 122.453 121.300 -0.076 0.000 2.325 128 W HA 0.024 4.684 4.660 -0.000 0.000 0.299 128 W C -0.111 176.504 176.519 0.160 0.000 1.215 128 W CA 0.454 57.773 57.345 -0.043 0.000 1.244 128 W CB -0.052 29.296 29.460 -0.186 0.000 1.140 128 W HN 0.272 nan 8.180 nan 0.000 0.523 129 F N 1.033 120.990 119.950 0.013 0.000 2.541 129 F HA 0.112 4.639 4.527 -0.000 0.000 0.331 129 F C 0.844 176.588 175.800 -0.093 0.000 1.057 129 F CA -1.665 56.256 58.000 -0.131 0.000 0.975 129 F CB 0.559 39.475 39.000 -0.139 0.000 1.246 129 F HN -0.239 nan 8.300 nan 0.000 0.484 130 D N -0.587 119.861 120.400 0.079 0.000 2.380 130 D HA 0.011 4.651 4.640 -0.000 0.000 0.254 130 D C 0.354 176.687 176.300 0.054 0.000 1.288 130 D CA -0.390 53.630 54.000 0.033 0.000 1.008 130 D CB 0.366 41.161 40.800 -0.008 0.000 1.099 130 D HN 0.408 nan 8.370 nan 0.000 0.537 131 S N -2.748 112.981 115.700 0.048 0.000 2.561 131 S HA 0.108 4.578 4.470 -0.000 0.000 0.245 131 S C 0.230 174.874 174.600 0.073 0.000 1.001 131 S CA -0.734 57.503 58.200 0.062 0.000 1.002 131 S CB -0.450 62.783 63.200 0.056 0.000 0.805 131 S HN 0.499 nan 8.310 nan 0.000 0.458 132 E N 1.643 121.890 120.200 0.078 0.000 2.089 132 E HA 0.250 4.600 4.350 -0.000 0.000 0.284 132 E C 0.465 177.196 176.600 0.218 0.000 1.023 132 E CA -0.509 55.979 56.400 0.146 0.000 0.819 132 E CB 0.418 30.239 29.700 0.202 0.000 1.076 132 E HN 0.208 nan 8.360 nan 0.000 0.396 133 R N 2.646 123.261 120.500 0.192 0.000 2.140 133 R HA 0.206 4.545 4.340 -0.000 0.000 0.213 133 R C 0.321 176.783 176.300 0.270 0.000 1.059 133 R CA 0.538 56.760 56.100 0.203 0.000 1.000 133 R CB -0.042 30.349 30.300 0.151 0.000 0.910 133 R HN 0.411 nan 8.270 nan 0.000 0.455 134 L N -0.619 120.681 121.223 0.128 0.000 2.424 134 L HA 0.409 4.749 4.340 -0.000 0.000 0.258 134 L C -0.275 176.133 176.870 -0.771 0.000 0.995 134 L CA -1.003 53.682 54.840 -0.258 0.000 0.821 134 L CB 2.373 44.429 42.059 -0.005 0.000 1.383 134 L HN -0.377 nan 8.230 nan 0.000 0.410 135 V N 0.527 119.354 119.914 -1.812 0.000 2.924 135 V HA 0.007 4.127 4.120 -0.000 0.000 0.305 135 V C 0.591 176.165 176.094 -0.867 0.000 1.073 135 V CA 0.181 61.479 62.300 -1.671 0.000 1.098 135 V CB 1.216 31.803 31.823 -2.059 0.000 1.000 135 V HN 0.806 nan 8.190 nan 0.000 0.484 136 D N 1.847 121.923 120.400 -0.539 0.000 2.144 136 D HA -0.117 4.523 4.640 -0.000 0.000 0.200 136 D C 1.436 177.666 176.300 -0.116 0.000 0.978 136 D CA 1.487 55.339 54.000 -0.247 0.000 0.833 136 D CB -0.063 40.637 40.800 -0.167 0.000 0.961 136 D HN 0.861 nan 8.370 nan 0.000 0.470 137 D N -1.052 119.285 120.400 -0.106 0.000 2.342 137 D HA -0.080 4.560 4.640 -0.000 0.000 0.221 137 D C 0.010 176.460 176.300 0.250 0.000 1.101 137 D CA -0.428 53.622 54.000 0.084 0.000 0.837 137 D CB -0.605 40.237 40.800 0.069 0.000 0.938 137 D HN 0.030 nan 8.370 nan 0.000 0.508 138 W N 0.898 122.182 121.300 -0.027 0.000 2.137 138 W HA 0.228 4.887 4.660 -0.000 0.000 0.344 138 W C 0.526 177.166 176.519 0.202 0.000 1.286 138 W CA -1.199 56.136 57.345 -0.015 0.000 1.240 138 W CB -0.068 29.379 29.460 -0.022 0.000 1.141 138 W HN -0.048 nan 8.180 nan 0.000 0.579 139 W N 3.164 124.601 121.300 0.228 0.000 2.322 139 W HA 0.232 4.892 4.660 -0.000 0.000 0.307 139 W C -1.250 175.352 176.519 0.139 0.000 1.220 139 W CA -2.807 54.623 57.345 0.143 0.000 1.210 139 W CB -0.258 29.265 29.460 0.105 0.000 1.223 139 W HN 0.203 nan 8.180 nan 0.000 0.511 140 P HA -0.165 nan 4.420 nan 0.000 0.226 140 P C 0.909 178.310 177.300 0.169 0.000 1.146 140 P CA 1.503 64.719 63.100 0.193 0.000 0.773 140 P CB 0.480 32.252 31.700 0.120 0.000 0.772 141 E N -0.898 119.437 120.200 0.226 0.000 2.299 141 E HA -0.081 4.269 4.350 -0.000 0.000 0.193 141 E C 1.356 178.120 176.600 0.272 0.000 0.998 141 E CA 0.633 57.157 56.400 0.207 0.000 0.851 141 E CB -0.493 29.330 29.700 0.204 0.000 0.795 141 E HN 0.231 nan 8.360 nan 0.000 0.492 142 D N 0.493 121.077 120.400 0.307 0.000 2.363 142 D HA -0.065 4.575 4.640 -0.000 0.000 0.220 142 D C 1.017 177.363 176.300 0.077 0.000 0.994 142 D CA 0.390 54.574 54.000 0.308 0.000 0.890 142 D CB 0.196 41.162 40.800 0.277 0.000 0.906 142 D HN 0.320 nan 8.370 nan 0.000 0.530 143 E N 0.295 120.502 120.200 0.010 0.000 2.204 143 E HA -0.100 4.250 4.350 -0.000 0.000 0.194 143 E C -0.884 175.573 176.600 -0.238 0.000 0.989 143 E CA 0.509 56.871 56.400 -0.063 0.000 0.824 143 E CB -0.386 29.328 29.700 0.024 0.000 0.756 143 E HN 0.273 nan 8.360 nan 0.000 0.477 144 P HA -0.099 nan 4.420 nan 0.000 0.234 144 P C -0.641 176.255 177.300 -0.673 0.000 1.167 144 P CA 0.968 63.694 63.100 -0.622 0.000 0.763 144 P CB -0.046 31.167 31.700 -0.811 0.000 0.835 145 Y N -1.499 118.638 120.300 -0.272 0.000 2.361 145 Y HA 0.499 5.049 4.550 -0.000 0.000 0.332 145 Y C 1.851 177.509 175.900 -0.404 0.000 1.101 145 Y CA -1.139 56.730 58.100 -0.385 0.000 1.137 145 Y CB 0.672 38.752 38.460 -0.634 0.000 1.207 145 Y HN -0.234 nan 8.280 nan 0.000 0.463 146 A N 2.395 125.176 122.820 -0.064 0.000 2.042 146 A HA -0.284 4.036 4.320 -0.000 0.000 0.222 146 A C 1.554 179.134 177.584 -0.007 0.000 1.167 146 A CA 2.125 54.147 52.037 -0.024 0.000 0.649 146 A CB -1.263 17.752 19.000 0.026 0.000 0.809 146 A HN 0.942 nan 8.150 nan 0.000 0.457 147 Y N -2.821 117.498 120.300 0.031 0.000 2.578 147 Y HA 0.414 4.964 4.550 -0.000 0.000 0.297 147 Y C 1.439 177.268 175.900 -0.120 0.000 1.176 147 Y CA 0.570 58.644 58.100 -0.043 0.000 1.315 147 Y CB -0.395 38.018 38.460 -0.078 0.000 1.031 147 Y HN 0.155 nan 8.280 nan 0.000 0.524 148 S N 0.389 115.953 115.700 -0.227 0.000 2.901 148 S HA 0.649 5.119 4.470 -0.000 0.000 0.248 148 S C 0.258 174.873 174.600 0.025 0.000 1.021 148 S CA -0.301 57.785 58.200 -0.190 0.000 1.090 148 S CB -0.985 62.062 63.200 -0.256 0.000 1.039 148 S HN 0.590 nan 8.310 nan 0.000 0.514 149 A N 1.451 124.310 122.820 0.064 0.000 2.483 149 A HA 0.382 4.702 4.320 -0.000 0.000 0.238 149 A C 0.404 178.138 177.584 0.250 0.000 1.070 149 A CA 0.126 52.238 52.037 0.125 0.000 0.770 149 A CB 0.181 19.251 19.000 0.116 0.000 1.008 149 A HN 0.708 nan 8.150 nan 0.000 0.497 150 Q N 0.444 120.375 119.800 0.219 0.000 2.340 150 Q HA 0.297 4.637 4.340 -0.000 0.000 0.249 150 Q C -0.511 175.630 176.000 0.236 0.000 0.957 150 Q CA -0.203 55.750 55.803 0.250 0.000 0.882 150 Q CB 0.851 29.696 28.738 0.179 0.000 1.235 150 Q HN 0.569 nan 8.270 nan 0.000 0.439 151 I N 1.620 122.341 120.570 0.252 0.000 2.315 151 I HA 0.247 4.417 4.170 -0.000 0.000 0.291 151 I C 0.086 176.294 176.117 0.152 0.000 1.006 151 I CA 0.140 61.558 61.300 0.197 0.000 1.265 151 I CB 0.739 38.822 38.000 0.138 0.000 1.387 151 I HN 0.458 nan 8.210 nan 0.000 0.475 152 S N 3.895 119.684 115.700 0.148 0.000 2.569 152 S HA 0.706 5.176 4.470 -0.000 0.000 0.280 152 S C 0.637 175.220 174.600 -0.028 0.000 1.111 152 S CA -0.042 58.212 58.200 0.091 0.000 0.887 152 S CB 1.990 65.223 63.200 0.054 0.000 1.095 152 S HN 0.671 nan 8.310 nan 0.000 0.476 153 A N 2.795 125.476 122.820 -0.232 0.000 2.067 153 A HA 0.333 4.652 4.320 -0.000 0.000 0.217 153 A C 0.686 178.097 177.584 -0.288 0.000 1.156 153 A CA 0.500 52.179 52.037 -0.597 0.000 0.683 153 A CB -0.260 18.298 19.000 -0.737 0.000 0.808 153 A HN 0.688 nan 8.150 nan 0.000 0.455 154 L N 0.878 122.011 121.223 -0.150 0.000 2.277 154 L HA 0.444 4.784 4.340 -0.000 0.000 0.284 154 L C -0.779 176.058 176.870 -0.055 0.000 1.028 154 L CA -0.006 54.773 54.840 -0.102 0.000 0.835 154 L CB 1.365 43.379 42.059 -0.076 0.000 1.215 154 L HN 0.159 nan 8.230 nan 0.000 0.425 155 T N 2.989 117.515 114.554 -0.047 0.000 2.956 155 T HA 0.448 4.798 4.350 -0.000 0.000 0.312 155 T C -1.002 173.705 174.700 0.012 0.000 1.151 155 T CA -0.291 61.809 62.100 -0.001 0.000 1.024 155 T CB 1.843 70.730 68.868 0.032 0.000 1.140 155 T HN 0.134 nan 8.240 nan 0.000 0.473 156 V N 3.820 123.756 119.914 0.037 0.000 2.407 156 V HA 0.714 4.834 4.120 -0.000 0.000 0.278 156 V C 0.627 176.794 176.094 0.122 0.000 1.037 156 V CA -0.730 61.607 62.300 0.062 0.000 0.900 156 V CB 1.038 32.892 31.823 0.051 0.000 0.983 156 V HN 1.063 nan 8.190 nan 0.000 0.459 157 A N 3.793 126.714 122.820 0.169 0.000 2.301 157 A HA 0.573 4.893 4.320 -0.000 0.000 0.298 157 A C -0.436 177.305 177.584 0.261 0.000 1.185 157 A CA -0.328 51.874 52.037 0.274 0.000 0.830 157 A CB 0.004 19.258 19.000 0.423 0.000 1.112 157 A HN 1.015 nan 8.150 nan 0.000 0.508 158 H N 1.663 120.807 119.070 0.123 0.000 2.467 158 H HA 0.538 5.094 4.556 -0.000 0.000 0.326 158 H C 0.788 176.093 175.328 -0.039 0.000 1.094 158 H CA 1.089 57.161 56.048 0.041 0.000 1.253 158 H CB 0.935 30.713 29.762 0.027 0.000 1.439 158 H HN 1.530 nan 8.280 nan 0.000 0.479 159 G N 3.608 112.062 108.800 -0.577 0.000 2.796 159 G HA2 -0.280 3.679 3.960 -0.000 0.000 0.226 159 G HA3 -0.280 3.679 3.960 -0.000 0.000 0.226 159 G C 0.520 175.113 174.900 -0.511 0.000 1.381 159 G CA 0.165 44.969 45.100 -0.493 0.000 0.867 159 G HN 0.870 nan 8.290 nan 0.000 0.552 160 E N -0.592 119.355 120.200 -0.423 0.000 2.465 160 E HA 0.207 4.557 4.350 -0.000 0.000 0.191 160 E C 1.935 178.317 176.600 -0.363 0.000 1.053 160 E CA 0.171 56.240 56.400 -0.551 0.000 0.869 160 E CB 0.247 29.821 29.700 -0.211 0.000 0.977 160 E HN 0.505 nan 8.360 nan 0.000 0.483 161 R N -0.005 120.321 120.500 -0.290 0.000 2.280 161 R HA 0.154 4.494 4.340 -0.000 0.000 0.195 161 R C -0.541 175.831 176.300 0.119 0.000 0.935 161 R CA -0.059 55.950 56.100 -0.152 0.000 1.033 161 R CB -0.114 29.946 30.300 -0.400 0.000 0.964 161 R HN 0.099 nan 8.270 nan 0.000 0.489 162 F N 1.569 121.601 119.950 0.136 0.000 2.807 162 F HA -0.231 4.296 4.527 -0.000 0.000 0.297 162 F C -0.760 175.139 175.800 0.165 0.000 1.024 162 F CA 0.170 58.287 58.000 0.195 0.000 1.008 162 F CB -1.275 37.916 39.000 0.318 0.000 1.142 162 F HN 0.042 nan 8.300 nan 0.000 0.829 163 D N 1.504 122.038 120.400 0.224 0.000 2.336 163 D HA 0.200 4.840 4.640 -0.000 0.000 0.249 163 D C 0.723 177.140 176.300 0.195 0.000 1.213 163 D CA 0.193 54.285 54.000 0.154 0.000 0.870 163 D CB 1.103 41.960 40.800 0.095 0.000 1.076 163 D HN 0.337 nan 8.370 nan 0.000 0.483 164 T N -1.361 113.306 114.554 0.188 0.000 2.889 164 T HA 0.487 4.836 4.350 -0.000 0.000 0.291 164 T C 1.191 175.967 174.700 0.127 0.000 0.995 164 T CA -0.188 62.017 62.100 0.176 0.000 1.092 164 T CB 1.643 70.627 68.868 0.193 0.000 0.954 164 T HN 0.522 nan 8.240 nan 0.000 0.506 165 G N 0.903 109.768 108.800 0.108 0.000 2.147 165 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.244 165 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.244 165 G C 0.038 174.978 174.900 0.067 0.000 1.005 165 G CA 0.115 45.269 45.100 0.090 0.000 0.713 165 G HN 1.890 nan 8.290 nan 0.000 0.515 166 V N -3.338 116.608 119.914 0.053 0.000 2.960 166 V HA 0.979 5.098 4.120 -0.000 0.000 0.315 166 V C 0.038 176.132 176.094 -0.000 0.000 1.087 166 V CA -0.061 62.244 62.300 0.008 0.000 0.982 166 V CB 1.984 33.786 31.823 -0.034 0.000 1.039 166 V HN 0.728 nan 8.190 nan 0.000 0.437 167 T N 0.834 115.372 114.554 -0.026 0.000 2.930 167 T HA 0.477 4.827 4.350 -0.000 0.000 0.290 167 T C -0.798 173.836 174.700 -0.110 0.000 1.052 167 T CA -0.432 61.650 62.100 -0.029 0.000 1.017 167 T CB 1.767 70.654 68.868 0.030 0.000 1.137 167 T HN 1.069 nan 8.240 nan 0.000 0.511 168 E N 2.061 122.198 120.200 -0.106 0.000 2.115 168 E HA 0.507 4.857 4.350 -0.000 0.000 0.282 168 E C -1.116 175.465 176.600 -0.031 0.000 0.987 168 E CA -0.639 55.695 56.400 -0.110 0.000 0.797 168 E CB 0.701 30.352 29.700 -0.080 0.000 1.086 168 E HN 0.385 nan 8.360 nan 0.000 0.397 169 V N 4.336 124.231 119.914 -0.031 0.000 2.370 169 V HA 0.285 4.405 4.120 -0.000 0.000 0.279 169 V C 0.099 176.191 176.094 -0.003 0.000 1.029 169 V CA -0.669 61.625 62.300 -0.010 0.000 0.870 169 V CB 1.011 32.827 31.823 -0.013 0.000 0.984 169 V HN 0.703 nan 8.190 nan 0.000 0.451 170 S N 4.458 120.161 115.700 0.006 0.000 2.501 170 S HA 0.840 5.310 4.470 -0.000 0.000 0.301 170 S C -0.899 173.706 174.600 0.009 0.000 1.096 170 S CA -0.657 57.549 58.200 0.009 0.000 1.063 170 S CB 1.944 65.153 63.200 0.014 0.000 1.042 170 S HN 0.436 nan 8.310 nan 0.000 0.494 171 V N 3.054 122.974 119.914 0.009 0.000 2.525 171 V HA 0.654 4.774 4.120 -0.000 0.000 0.299 171 V C 0.309 176.408 176.094 0.008 0.000 1.034 171 V CA -0.457 61.847 62.300 0.008 0.000 0.863 171 V CB 1.575 33.402 31.823 0.007 0.000 0.999 171 V HN 1.166 nan 8.190 nan 0.000 0.423 172 T N 3.281 117.840 114.554 0.008 0.000 2.950 172 T HA 0.764 5.114 4.350 -0.000 0.000 0.288 172 T C -2.900 171.804 174.700 0.006 0.000 1.035 172 T CA -2.373 59.731 62.100 0.008 0.000 1.028 172 T CB 2.406 71.279 68.868 0.008 0.000 1.109 172 T HN 0.443 nan 8.240 nan 0.000 0.514 173 P HA 0.581 nan 4.420 nan 0.000 0.279 173 P C -0.577 176.726 177.300 0.005 0.000 1.252 173 P CA -0.482 62.621 63.100 0.005 0.000 0.811 173 P CB 1.281 32.984 31.700 0.005 0.000 1.035 174 A N 1.452 124.275 122.820 0.004 0.000 3.708 174 A HA 0.777 5.097 4.320 -0.000 0.000 0.178 174 A C -0.159 177.427 177.584 0.003 0.000 1.050 174 A CA -0.142 51.897 52.037 0.004 0.000 1.245 174 A CB -0.381 18.620 19.000 0.003 0.000 1.600 174 A HN 0.530 nan 8.150 nan 0.000 0.697 175 A N 0.963 123.784 122.820 0.003 0.000 2.477 175 A HA 0.482 4.801 4.320 -0.000 0.000 0.246 175 A C -0.052 177.534 177.584 0.002 0.000 1.078 175 A CA -0.308 51.731 52.037 0.002 0.000 0.770 175 A CB -0.300 18.701 19.000 0.002 0.000 1.011 175 A HN 0.529 nan 8.150 nan 0.000 0.494 176 E N 1.409 121.610 120.200 0.002 0.000 2.376 176 E HA 0.340 4.690 4.350 -0.000 0.000 0.266 176 E C 0.966 177.567 176.600 0.002 0.000 1.009 176 E CA 0.686 57.087 56.400 0.002 0.000 0.902 176 E CB 0.341 30.042 29.700 0.002 0.000 0.972 176 E HN 1.445 nan 8.360 nan 0.000 0.439 177 G N 2.963 111.764 108.800 0.002 0.000 2.179 177 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.260 177 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.260 177 G C 0.043 174.944 174.900 0.001 0.000 0.977 177 G CA 0.372 45.473 45.100 0.001 0.000 0.641 177 G HN 0.538 nan 8.290 nan 0.000 0.533 178 E N 0.527 120.728 120.200 0.001 0.000 2.277 178 E HA 0.467 4.816 4.350 -0.000 0.000 0.266 178 E C -2.621 173.979 176.600 0.001 0.000 0.901 178 E CA -2.434 53.966 56.400 0.001 0.000 0.782 178 E CB 2.041 31.741 29.700 0.001 0.000 1.228 178 E HN 0.011 nan 8.360 nan 0.000 0.424 179 P HA -0.093 nan 4.420 nan 0.000 0.264 179 P C -0.861 176.440 177.300 0.002 0.000 1.179 179 P CA 0.330 63.431 63.100 0.001 0.000 0.763 179 P CB 0.346 32.046 31.700 -0.000 0.000 0.806 180 A N 3.292 126.114 122.820 0.002 0.000 2.346 180 A HA 0.167 4.487 4.320 -0.000 0.000 0.252 180 A C 0.166 177.752 177.584 0.003 0.000 1.089 180 A CA -0.202 51.837 52.037 0.003 0.000 0.797 180 A CB -0.027 18.975 19.000 0.004 0.000 1.047 180 A HN 0.478 nan 8.150 nan 0.000 0.494 181 D N 0.353 120.756 120.400 0.004 0.000 2.225 181 D HA 0.438 5.078 4.640 -0.000 0.000 0.248 181 D C -0.941 175.362 176.300 0.006 0.000 1.096 181 D CA 0.181 54.184 54.000 0.005 0.000 0.863 181 D CB 1.594 42.398 40.800 0.006 0.000 1.156 181 D HN 0.121 nan 8.370 nan 0.000 0.450 182 V N 3.000 122.917 119.914 0.005 0.000 2.407 182 V HA 0.176 4.296 4.120 -0.000 0.000 0.291 182 V C 0.014 176.113 176.094 0.009 0.000 1.018 182 V CA -0.819 61.484 62.300 0.005 0.000 0.842 182 V CB 2.131 33.956 31.823 0.002 0.000 0.996 182 V HN 0.455 nan 8.190 nan 0.000 0.426 183 D N 3.803 124.210 120.400 0.012 0.000 2.217 183 D HA 0.379 5.019 4.640 -0.000 0.000 0.243 183 D C 0.559 176.870 176.300 0.018 0.000 1.054 183 D CA -0.446 53.564 54.000 0.017 0.000 0.838 183 D CB 2.257 43.069 40.800 0.021 0.000 1.162 183 D HN 0.431 nan 8.370 nan 0.000 0.472 184 L N 3.126 124.363 121.223 0.024 0.000 2.558 184 L HA 0.169 4.509 4.340 -0.000 0.000 0.225 184 L C 1.650 178.544 176.870 0.040 0.000 1.128 184 L CA 0.444 55.300 54.840 0.026 0.000 0.868 184 L CB -0.519 41.556 42.059 0.027 0.000 1.006 184 L HN 0.734 nan 8.230 nan 0.000 0.454 185 G N 0.569 109.398 108.800 0.047 0.000 2.527 185 G HA2 -0.410 3.549 3.960 -0.000 0.000 0.268 185 G HA3 -0.410 3.549 3.960 -0.000 0.000 0.268 185 G C 0.897 175.847 174.900 0.084 0.000 1.175 185 G CA 0.321 45.457 45.100 0.060 0.000 0.962 185 G HN 0.250 nan 8.290 nan 0.000 0.560 186 A N -0.431 122.446 122.820 0.095 0.000 1.986 186 A HA 0.267 4.587 4.320 -0.000 0.000 0.220 186 A C 2.788 180.475 177.584 0.171 0.000 1.171 186 A CA 3.356 55.463 52.037 0.117 0.000 0.640 186 A CB -0.822 18.244 19.000 0.110 0.000 0.811 186 A HN 2.348 nan 8.150 nan 0.000 0.451 187 A N -0.643 122.268 122.820 0.152 0.000 2.238 187 A HA 0.147 4.467 4.320 -0.000 0.000 0.208 187 A C 0.627 178.302 177.584 0.152 0.000 1.177 187 A CA -0.129 52.019 52.037 0.185 0.000 0.804 187 A CB -0.145 18.951 19.000 0.161 0.000 0.823 187 A HN 0.414 nan 8.150 nan 0.000 0.482 188 E N -0.109 120.185 120.200 0.157 0.000 2.406 188 E HA 0.287 4.637 4.350 -0.000 0.000 0.258 188 E C 1.159 177.868 176.600 0.181 0.000 1.043 188 E CA 1.056 57.532 56.400 0.127 0.000 0.929 188 E CB 0.396 30.164 29.700 0.113 0.000 0.969 188 E HN 0.625 nan 8.360 nan 0.000 0.462 189 G N 3.578 112.424 108.800 0.077 0.000 2.213 189 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.236 189 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.236 189 G C 0.597 175.407 174.900 -0.149 0.000 0.991 189 G CA 0.435 45.568 45.100 0.055 0.000 0.629 189 G HN 0.593 nan 8.290 nan 0.000 0.517 190 Y N 1.180 121.221 120.300 -0.431 0.000 2.351 190 Y HA 0.716 5.266 4.550 -0.000 0.000 0.291 190 Y C 1.777 177.556 175.900 -0.202 0.000 1.153 190 Y CA 1.472 59.291 58.100 -0.470 0.000 1.193 190 Y CB -0.154 37.939 38.460 -0.611 0.000 1.187 190 Y HN 0.632 nan 8.280 nan 0.000 0.524 191 A N 1.558 124.238 122.820 -0.234 0.000 2.302 191 A HA 0.337 4.657 4.320 -0.000 0.000 0.285 191 A C -0.208 177.281 177.584 -0.158 0.000 1.105 191 A CA -0.632 51.252 52.037 -0.254 0.000 0.816 191 A CB 0.118 19.055 19.000 -0.104 0.000 1.067 191 A HN 0.395 nan 8.150 nan 0.000 0.489 192 E N -0.166 119.945 120.200 -0.149 0.000 2.390 192 E HA 0.241 4.591 4.350 -0.000 0.000 0.261 192 E C -1.031 175.531 176.600 -0.063 0.000 1.076 192 E CA -0.285 56.059 56.400 -0.094 0.000 0.905 192 E CB 1.212 30.859 29.700 -0.088 0.000 0.984 192 E HN 0.430 nan 8.360 nan 0.000 0.427 193 L N 2.307 123.504 121.223 -0.044 0.000 2.313 193 L HA 0.285 4.625 4.340 -0.000 0.000 0.283 193 L C -0.758 176.095 176.870 -0.029 0.000 1.013 193 L CA -0.287 54.534 54.840 -0.031 0.000 0.816 193 L CB 1.396 43.444 42.059 -0.019 0.000 1.236 193 L HN 0.254 nan 8.230 nan 0.000 0.419 194 D N 3.123 123.507 120.400 -0.027 0.000 2.434 194 D HA 0.205 4.845 4.640 -0.000 0.000 0.275 194 D C -0.921 175.369 176.300 -0.016 0.000 1.172 194 D CA -0.225 53.762 54.000 -0.023 0.000 0.916 194 D CB 0.234 41.019 40.800 -0.026 0.000 1.041 194 D HN 0.453 nan 8.370 nan 0.000 0.501 195 N N 2.226 120.918 118.700 -0.013 0.000 2.420 195 N HA 0.270 5.010 4.740 -0.000 0.000 0.249 195 N C 0.062 175.568 175.510 -0.007 0.000 1.033 195 N CA -0.088 52.957 53.050 -0.009 0.000 0.944 195 N CB 0.559 39.042 38.487 -0.006 0.000 1.113 195 N HN 0.265 nan 8.380 nan 0.000 0.502 196 R N 1.665 122.162 120.500 -0.005 0.000 2.572 196 R HA 0.397 4.737 4.340 -0.000 0.000 0.370 196 R C -0.049 176.251 176.300 -0.001 0.000 1.005 196 R CA -0.382 55.716 56.100 -0.004 0.000 1.146 196 R CB 0.738 31.035 30.300 -0.005 0.000 1.390 196 R HN 0.495 nan 8.270 nan 0.000 0.553 197 A N 0.901 123.721 122.820 -0.000 0.000 2.366 197 A HA 0.463 4.783 4.320 -0.000 0.000 0.249 197 A C 0.416 178.001 177.584 0.002 0.000 1.084 197 A CA -0.349 51.689 52.037 0.002 0.000 0.794 197 A CB 0.410 19.411 19.000 0.003 0.000 1.034 197 A HN 0.068 nan 8.150 nan 0.000 0.491 198 V N -1.123 118.792 119.914 0.002 0.000 2.994 198 V HA 0.732 4.852 4.120 -0.000 0.000 0.318 198 V C 0.181 176.277 176.094 0.003 0.000 1.085 198 V CA -0.754 61.547 62.300 0.002 0.000 0.998 198 V CB 1.370 33.194 31.823 0.002 0.000 1.063 198 V HN 0.788 nan 8.190 nan 0.000 0.447 199 T N 1.952 116.508 114.554 0.003 0.000 2.806 199 T HA 0.606 4.956 4.350 -0.000 0.000 0.290 199 T C 0.462 175.164 174.700 0.003 0.000 0.966 199 T CA 0.348 62.450 62.100 0.003 0.000 1.060 199 T CB 1.094 69.964 68.868 0.003 0.000 0.927 199 T HN 1.227 nan 8.240 nan 0.000 0.485 200 G N 1.166 109.969 108.800 0.004 0.000 2.502 200 G HA2 0.602 4.561 3.960 -0.000 0.000 0.305 200 G HA3 0.602 4.561 3.960 -0.000 0.000 0.305 200 G C -0.074 174.828 174.900 0.003 0.000 1.190 200 G CA -0.876 44.226 45.100 0.004 0.000 0.933 200 G HN 0.976 nan 8.290 nan 0.000 0.503 201 A N -0.173 122.649 122.820 0.003 0.000 2.425 201 A HA 0.597 4.917 4.320 -0.000 0.000 0.242 201 A C 1.090 178.676 177.584 0.003 0.000 1.077 201 A CA 0.380 52.418 52.037 0.003 0.000 0.781 201 A CB -0.099 18.902 19.000 0.002 0.000 1.020 201 A HN 1.937 nan 8.150 nan 0.000 0.494 202 A N 0.626 123.448 122.820 0.003 0.000 2.531 202 A HA 0.465 4.785 4.320 -0.000 0.000 0.236 202 A C 1.683 179.269 177.584 0.003 0.000 1.062 202 A CA 0.862 52.901 52.037 0.003 0.000 0.760 202 A CB -0.788 18.214 19.000 0.003 0.000 0.995 202 A HN 2.776 nan 8.150 nan 0.000 0.501 203 G N 1.124 109.926 108.800 0.003 0.000 2.184 203 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.264 203 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.264 203 G C 0.732 175.634 174.900 0.003 0.000 0.975 203 G CA 1.223 46.325 45.100 0.003 0.000 0.642 203 G HN 2.176 nan 8.290 nan 0.000 0.536 204 S N 0.024 115.726 115.700 0.003 0.000 2.641 204 S HA 0.779 5.249 4.470 -0.000 0.000 0.261 204 S C 0.694 175.297 174.600 0.004 0.000 1.257 204 S CA 0.456 58.658 58.200 0.003 0.000 0.983 204 S CB 1.617 64.819 63.200 0.003 0.000 0.990 204 S HN 1.900 nan 8.310 nan 0.000 0.572 205 A N 1.182 124.004 122.820 0.004 0.000 2.363 205 A HA 0.397 4.717 4.320 -0.000 0.000 0.270 205 A C 0.305 177.892 177.584 0.006 0.000 1.121 205 A CA -0.614 51.426 52.037 0.005 0.000 0.800 205 A CB -0.355 18.648 19.000 0.005 0.000 1.052 205 A HN 0.776 nan 8.150 nan 0.000 0.493 206 N N 1.825 120.529 118.700 0.007 0.000 2.402 206 N HA 0.104 4.844 4.740 -0.000 0.000 0.259 206 N C 0.647 176.163 175.510 0.010 0.000 1.167 206 N CA 0.671 53.726 53.050 0.008 0.000 0.949 206 N CB 0.479 38.971 38.487 0.009 0.000 1.212 206 N HN 0.641 nan 8.380 nan 0.000 0.493 207 T N 0.831 115.391 114.554 0.010 0.000 3.215 207 T HA 0.184 4.534 4.350 -0.000 0.000 0.271 207 T C 0.627 175.336 174.700 0.014 0.000 1.012 207 T CA -0.556 61.551 62.100 0.012 0.000 0.899 207 T CB -0.228 68.645 68.868 0.010 0.000 1.089 207 T HN 0.230 nan 8.240 nan 0.000 0.552 208 L N 2.357 123.589 121.223 0.015 0.000 2.410 208 L HA 0.499 4.839 4.340 -0.000 0.000 0.273 208 L C -0.666 176.218 176.870 0.023 0.000 1.152 208 L CA 0.037 54.887 54.840 0.016 0.000 0.855 208 L CB 0.780 42.848 42.059 0.015 0.000 1.129 208 L HN 0.117 nan 8.230 nan 0.000 0.463 209 V N 6.833 126.760 119.914 0.023 0.000 2.531 209 V HA 0.428 4.548 4.120 -0.000 0.000 0.301 209 V C -0.081 176.027 176.094 0.024 0.000 1.034 209 V CA -0.512 61.807 62.300 0.032 0.000 0.865 209 V CB 1.703 33.546 31.823 0.033 0.000 0.995 209 V HN 0.559 nan 8.190 nan 0.000 0.424 210 I N 4.164 124.752 120.570 0.031 0.000 2.321 210 I HA 0.589 4.759 4.170 -0.000 0.000 0.291 210 I C -0.563 175.551 176.117 -0.005 0.000 0.998 210 I CA -0.096 61.210 61.300 0.011 0.000 1.227 210 I CB 1.564 39.571 38.000 0.011 0.000 1.368 210 I HN 0.573 nan 8.210 nan 0.000 0.466 211 D N 5.079 125.458 120.400 -0.035 0.000 2.559 211 D HA 0.459 5.099 4.640 -0.000 0.000 0.250 211 D C -1.034 175.210 176.300 -0.094 0.000 1.135 211 D CA -0.786 53.170 54.000 -0.072 0.000 0.955 211 D CB 2.300 43.079 40.800 -0.035 0.000 1.442 211 D HN 0.454 nan 8.370 nan 0.000 0.471 212 R N 1.889 122.314 120.500 -0.126 0.000 2.545 212 R HA 0.449 4.788 4.340 -0.000 0.000 0.289 212 R C -2.600 173.650 176.300 -0.084 0.000 1.327 212 R CA -1.593 54.446 56.100 -0.102 0.000 1.040 212 R CB 1.328 31.557 30.300 -0.118 0.000 1.176 212 R HN 0.237 nan 8.270 nan 0.000 0.518 213 P HA -0.139 nan 4.420 nan 0.000 0.265 213 P C -0.335 176.946 177.300 -0.033 0.000 1.187 213 P CA -0.180 62.897 63.100 -0.039 0.000 0.766 213 P CB 0.660 32.341 31.700 -0.031 0.000 0.820 214 V N 3.915 123.817 119.914 -0.019 0.000 2.557 214 V HA 0.231 4.351 4.120 -0.000 0.000 0.301 214 V C 1.290 177.381 176.094 -0.004 0.000 1.026 214 V CA 1.591 63.887 62.300 -0.005 0.000 1.137 214 V CB -0.828 31.001 31.823 0.011 0.000 0.917 214 V HN 0.982 nan 8.190 nan 0.000 0.484 215 G N 3.811 112.611 108.800 0.000 0.000 2.198 215 G HA2 -0.209 3.750 3.960 -0.000 0.000 0.257 215 G HA3 -0.209 3.750 3.960 -0.000 0.000 0.257 215 G C 0.177 175.069 174.900 -0.014 0.000 1.042 215 G CA 0.741 45.842 45.100 0.001 0.000 0.791 215 G HN 1.727 nan 8.290 nan 0.000 0.502 216 T N -3.530 111.008 114.554 -0.025 0.000 2.926 216 T HA 0.663 5.013 4.350 -0.000 0.000 0.289 216 T C 0.070 174.735 174.700 -0.057 0.000 1.054 216 T CA -0.362 61.712 62.100 -0.043 0.000 1.015 216 T CB 2.163 71.003 68.868 -0.047 0.000 1.167 216 T HN 0.157 nan 8.240 nan 0.000 0.526 217 N N 0.154 118.799 118.700 -0.091 0.000 2.535 217 N HA 0.299 5.039 4.740 -0.000 0.000 0.294 217 N C -1.111 174.313 175.510 -0.142 0.000 1.408 217 N CA -0.303 52.666 53.050 -0.135 0.000 0.927 217 N CB 0.300 38.645 38.487 -0.236 0.000 1.276 217 N HN 0.683 nan 8.380 nan 0.000 0.505 218 T N 1.175 115.671 114.554 -0.097 0.000 2.792 218 T HA 0.403 4.753 4.350 -0.000 0.000 0.280 218 T C -0.018 174.642 174.700 -0.067 0.000 0.990 218 T CA -0.492 61.559 62.100 -0.082 0.000 0.960 218 T CB 1.109 69.938 68.868 -0.065 0.000 0.939 218 T HN -0.018 nan 8.240 nan 0.000 0.439 219 I N 3.369 123.904 120.570 -0.059 0.000 2.312 219 I HA 0.448 4.618 4.170 -0.000 0.000 0.291 219 I C 0.551 176.645 176.117 -0.039 0.000 1.031 219 I CA -0.761 60.510 61.300 -0.049 0.000 1.293 219 I CB 0.185 38.162 38.000 -0.038 0.000 1.403 219 I HN 0.659 nan 8.210 nan 0.000 0.484 220 A N 7.393 130.190 122.820 -0.037 0.000 2.271 220 A HA 0.704 5.024 4.320 -0.000 0.000 0.317 220 A C -0.495 177.078 177.584 -0.019 0.000 1.245 220 A CA -0.479 51.542 52.037 -0.027 0.000 0.857 220 A CB 1.008 19.992 19.000 -0.026 0.000 1.175 220 A HN 0.425 nan 8.150 nan 0.000 0.512 221 V N 3.154 123.061 119.914 -0.012 0.000 2.409 221 V HA 0.676 4.796 4.120 -0.000 0.000 0.291 221 V C 0.399 176.492 176.094 -0.002 0.000 1.020 221 V CA -0.076 62.221 62.300 -0.006 0.000 0.848 221 V CB 1.212 33.032 31.823 -0.004 0.000 0.990 221 V HN 1.109 nan 8.190 nan 0.000 0.430 222 T N 1.005 115.560 114.554 0.002 0.000 2.888 222 T HA 0.965 5.315 4.350 -0.000 0.000 0.288 222 T C 0.238 174.942 174.700 0.007 0.000 1.063 222 T CA -0.050 62.052 62.100 0.004 0.000 1.010 222 T CB 1.896 70.766 68.868 0.004 0.000 1.214 222 T HN 1.911 nan 8.240 nan 0.000 0.533 223 G N 0.317 109.121 108.800 0.006 0.000 2.587 223 G HA2 0.190 4.150 3.960 -0.000 0.000 0.212 223 G HA3 0.190 4.150 3.960 -0.000 0.000 0.212 223 G C -0.344 174.559 174.900 0.006 0.000 1.327 223 G CA -0.170 44.935 45.100 0.008 0.000 0.898 223 G HN 1.548 nan 8.290 nan 0.000 0.551 224 S N -1.053 114.651 115.700 0.007 0.000 2.561 224 S HA 0.638 5.108 4.470 -0.000 0.000 0.303 224 S C -0.911 173.694 174.600 0.007 0.000 1.110 224 S CA -0.427 57.777 58.200 0.006 0.000 1.034 224 S CB 1.298 64.502 63.200 0.005 0.000 1.010 224 S HN 1.500 nan 8.310 nan 0.000 0.482 225 L N 7.436 128.662 121.223 0.006 0.000 2.280 225 L HA 0.642 4.982 4.340 -0.000 0.000 0.287 225 L C -2.415 174.459 176.870 0.006 0.000 1.023 225 L CA -1.918 52.925 54.840 0.007 0.000 0.819 225 L CB 1.279 43.343 42.059 0.007 0.000 1.212 225 L HN 0.402 nan 8.230 nan 0.000 0.420 226 P HA 0.109 nan 4.420 nan 0.000 0.271 226 P C 0.136 177.439 177.300 0.005 0.000 1.218 226 P CA -0.157 62.946 63.100 0.005 0.000 0.780 226 P CB 0.856 32.559 31.700 0.005 0.000 0.901 227 A N 3.004 125.827 122.820 0.004 0.000 2.024 227 A HA -0.198 4.122 4.320 -0.000 0.000 0.220 227 A C 1.368 178.955 177.584 0.004 0.000 1.164 227 A CA 2.019 54.058 52.037 0.004 0.000 0.643 227 A CB -1.121 17.881 19.000 0.003 0.000 0.806 227 A HN 0.639 nan 8.150 nan 0.000 0.451 228 D N -0.677 119.726 120.400 0.004 0.000 2.349 228 D HA 0.396 5.036 4.640 -0.000 0.000 0.214 228 D C 0.570 176.872 176.300 0.005 0.000 1.063 228 D CA 0.494 54.497 54.000 0.004 0.000 0.847 228 D CB -0.433 40.370 40.800 0.004 0.000 0.933 228 D HN 0.357 nan 8.370 nan 0.000 0.513 229 A N 0.424 123.247 122.820 0.005 0.000 2.302 229 A HA 0.667 4.987 4.320 -0.000 0.000 0.285 229 A C 0.609 178.196 177.584 0.006 0.000 1.105 229 A CA -0.214 51.827 52.037 0.006 0.000 0.816 229 A CB 0.571 19.575 19.000 0.006 0.000 1.067 229 A HN 0.317 nan 8.150 nan 0.000 0.489 230 A N 2.005 124.829 122.820 0.007 0.000 2.448 230 A HA 0.544 4.864 4.320 -0.000 0.000 0.239 230 A C -2.091 175.498 177.584 0.008 0.000 1.080 230 A CA -0.884 51.157 52.037 0.007 0.000 0.779 230 A CB -0.912 18.093 19.000 0.008 0.000 1.026 230 A HN 0.660 nan 8.150 nan 0.000 0.499 231 P HA 0.243 nan 4.420 nan 0.000 0.269 231 P C -0.780 176.526 177.300 0.010 0.000 1.217 231 P CA -0.143 62.963 63.100 0.009 0.000 0.783 231 P CB 0.351 32.057 31.700 0.010 0.000 0.898 232 V N 2.288 122.208 119.914 0.010 0.000 2.427 232 V HA 0.387 4.507 4.120 -0.000 0.000 0.286 232 V C 0.179 176.280 176.094 0.011 0.000 1.034 232 V CA 0.056 62.363 62.300 0.011 0.000 0.893 232 V CB 1.586 33.416 31.823 0.012 0.000 0.982 232 V HN 0.537 nan 8.190 nan 0.000 0.452 233 T N 4.238 118.799 114.554 0.011 0.000 2.881 233 T HA 0.771 5.121 4.350 -0.000 0.000 0.291 233 T C -0.475 174.228 174.700 0.004 0.000 0.990 233 T CA -0.339 61.766 62.100 0.008 0.000 0.976 233 T CB 1.496 70.372 68.868 0.014 0.000 0.970 233 T HN 0.964 nan 8.240 nan 0.000 0.438 234 A N 3.489 126.306 122.820 -0.006 0.000 2.488 234 A HA 0.781 5.101 4.320 -0.000 0.000 0.298 234 A C -1.171 176.391 177.584 -0.037 0.000 1.044 234 A CA -0.772 51.263 52.037 -0.004 0.000 0.693 234 A CB 1.085 20.095 19.000 0.018 0.000 1.272 234 A HN 0.796 nan 8.150 nan 0.000 0.402 235 L N 2.783 123.979 121.223 -0.045 0.000 2.276 235 L HA 0.585 4.925 4.340 -0.000 0.000 0.286 235 L C 0.033 176.877 176.870 -0.045 0.000 1.061 235 L CA -0.649 54.139 54.840 -0.087 0.000 0.807 235 L CB 0.700 42.688 42.059 -0.118 0.000 1.177 235 L HN 0.574 nan 8.230 nan 0.000 0.429 236 R N 1.287 121.747 120.500 -0.067 0.000 2.621 236 R HA 0.389 4.729 4.340 -0.000 0.000 0.292 236 R C -0.204 176.056 176.300 -0.068 0.000 0.969 236 R CA -0.748 55.303 56.100 -0.082 0.000 0.887 236 R CB 1.975 32.226 30.300 -0.082 0.000 1.180 236 R HN 0.730 nan 8.270 nan 0.000 0.450 237 T N -1.304 113.199 114.554 -0.086 0.000 2.856 237 T HA 0.349 4.699 4.350 -0.000 0.000 0.306 237 T C 0.762 175.458 174.700 -0.007 0.000 1.062 237 T CA -0.560 61.517 62.100 -0.038 0.000 1.083 237 T CB 0.663 69.503 68.868 -0.045 0.000 0.984 237 T HN 0.358 nan 8.240 nan 0.000 0.542 238 V N -1.070 118.874 119.914 0.050 0.000 3.019 238 V HA 0.664 4.784 4.120 -0.000 0.000 0.317 238 V C -0.394 175.765 176.094 0.109 0.000 1.094 238 V CA -1.292 61.067 62.300 0.098 0.000 1.000 238 V CB 1.665 33.624 31.823 0.227 0.000 1.060 238 V HN 0.932 nan 8.190 nan 0.000 0.443 239 D N 1.282 121.747 120.400 0.107 0.000 2.302 239 D HA 0.292 4.932 4.640 -0.000 0.000 0.248 239 D C -0.004 176.411 176.300 0.191 0.000 1.094 239 D CA 0.681 54.746 54.000 0.108 0.000 0.897 239 D CB 0.481 41.310 40.800 0.049 0.000 1.200 239 D HN 0.787 nan 8.370 nan 0.000 0.429 240 E N 2.196 122.487 120.200 0.152 0.000 2.302 240 E HA -0.146 4.204 4.350 -0.000 0.000 0.186 240 E C -1.843 174.834 176.600 0.128 0.000 1.444 240 E CA 0.030 56.520 56.400 0.151 0.000 0.671 240 E CB -0.952 28.853 29.700 0.175 0.000 1.122 240 E HN 0.485 nan 8.360 nan 0.000 0.366 241 P HA -0.274 nan 4.420 nan 0.000 0.218 241 P C 1.328 178.626 177.300 -0.003 0.000 1.154 241 P CA 2.499 65.629 63.100 0.051 0.000 0.872 241 P CB 0.076 31.816 31.700 0.067 0.000 0.790 242 A N -0.513 122.314 122.820 0.013 0.000 2.015 242 A HA -0.014 4.306 4.320 -0.000 0.000 0.219 242 A C 2.308 179.876 177.584 -0.027 0.000 1.163 242 A CA 1.835 53.868 52.037 -0.007 0.000 0.646 242 A CB -1.338 17.669 19.000 0.012 0.000 0.806 242 A HN 0.229 nan 8.150 nan 0.000 0.448 243 A N -0.718 122.087 122.820 -0.023 0.000 2.014 243 A HA 0.120 4.440 4.320 -0.000 0.000 0.218 243 A C 2.027 179.395 177.584 -0.361 0.000 1.163 243 A CA 1.383 53.385 52.037 -0.057 0.000 0.652 243 A CB -0.426 18.650 19.000 0.127 0.000 0.808 243 A HN 0.581 nan 8.150 nan 0.000 0.449 244 L N -0.210 120.679 121.223 -0.557 0.000 2.056 244 L HA 0.005 4.345 4.340 -0.000 0.000 0.207 244 L C 2.638 179.388 176.870 -0.200 0.000 1.078 244 L CA 2.025 56.490 54.840 -0.624 0.000 0.749 244 L CB -0.738 41.072 42.059 -0.414 0.000 0.901 244 L HN 0.316 nan 8.230 nan 0.000 0.433 245 A N -0.344 122.410 122.820 -0.109 0.000 1.908 245 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 245 A C 2.352 179.945 177.584 0.015 0.000 1.181 245 A CA 1.791 53.806 52.037 -0.037 0.000 0.627 245 A CB -1.688 17.284 19.000 -0.045 0.000 0.818 245 A HN 0.539 nan 8.150 nan 0.000 0.445 246 G N -1.235 107.568 108.800 0.005 0.000 2.446 246 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.217 246 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.217 246 G C 1.489 176.433 174.900 0.072 0.000 1.168 246 G CA 1.572 46.708 45.100 0.061 0.000 0.771 246 G HN 0.747 nan 8.290 nan 0.000 0.551 247 H N 0.615 119.630 119.070 -0.092 0.000 2.265 247 H HA 0.028 4.584 4.556 -0.000 0.000 0.295 247 H C 2.532 177.840 175.328 -0.033 0.000 1.084 247 H CA 1.722 57.722 56.048 -0.080 0.000 1.261 247 H CB -0.446 29.208 29.762 -0.179 0.000 1.360 247 H HN 0.246 nan 8.280 nan 0.000 0.487 248 L N -1.002 120.171 121.223 -0.083 0.000 2.191 248 L HA -0.146 4.194 4.340 -0.000 0.000 0.212 248 L C 2.069 178.943 176.870 0.007 0.000 1.103 248 L CA 0.857 55.647 54.840 -0.084 0.000 0.769 248 L CB -0.355 41.706 42.059 0.004 0.000 0.908 248 L HN 0.293 nan 8.230 nan 0.000 0.438 249 F N 0.667 120.554 119.950 -0.105 0.000 2.234 249 F HA -0.130 4.397 4.527 -0.000 0.000 0.296 249 F C 2.473 178.221 175.800 -0.087 0.000 1.089 249 F CA 1.306 59.257 58.000 -0.081 0.000 1.343 249 F CB -0.111 38.855 39.000 -0.056 0.000 1.040 249 F HN 0.078 nan 8.300 nan 0.000 0.498 250 E N 0.386 120.492 120.200 -0.157 0.000 2.038 250 E HA -0.250 4.100 4.350 -0.000 0.000 0.195 250 E C 2.054 178.502 176.600 -0.254 0.000 1.000 250 E CA 1.764 58.025 56.400 -0.232 0.000 0.803 250 E CB -0.289 29.333 29.700 -0.130 0.000 0.750 250 E HN 0.519 nan 8.360 nan 0.000 0.448 251 E N 0.024 120.080 120.200 -0.240 0.000 2.097 251 E HA -0.247 4.103 4.350 -0.000 0.000 0.196 251 E C 2.032 178.523 176.600 -0.182 0.000 1.000 251 E CA 1.110 57.384 56.400 -0.210 0.000 0.804 251 E CB -0.195 29.361 29.700 -0.241 0.000 0.740 251 E HN 0.381 nan 8.360 nan 0.000 0.454 252 A N 0.986 123.689 122.820 -0.195 0.000 1.930 252 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 252 A C 2.209 179.652 177.584 -0.235 0.000 1.175 252 A CA 0.918 52.852 52.037 -0.171 0.000 0.627 252 A CB -0.509 18.432 19.000 -0.099 0.000 0.815 252 A HN 0.113 nan 8.150 nan 0.000 0.443 253 L N -0.615 120.379 121.223 -0.383 0.000 2.056 253 L HA -0.158 4.182 4.340 -0.000 0.000 0.207 253 L C 2.583 179.335 176.870 -0.197 0.000 1.078 253 L CA 1.231 55.870 54.840 -0.334 0.000 0.749 253 L CB -0.627 41.176 42.059 -0.427 0.000 0.901 253 L HN 0.323 nan 8.230 nan 0.000 0.433 254 E N 0.145 120.238 120.200 -0.178 0.000 2.085 254 E HA -0.186 4.164 4.350 -0.000 0.000 0.194 254 E C 2.387 178.931 176.600 -0.093 0.000 0.994 254 E CA 1.545 57.873 56.400 -0.120 0.000 0.801 254 E CB -0.204 29.431 29.700 -0.108 0.000 0.743 254 E HN 0.396 nan 8.360 nan 0.000 0.453 255 S N 1.176 116.819 115.700 -0.095 0.000 2.399 255 S HA -0.069 4.401 4.470 -0.000 0.000 0.231 255 S C 1.356 175.919 174.600 -0.061 0.000 1.022 255 S CA 0.633 58.792 58.200 -0.069 0.000 0.983 255 S CB -0.121 63.041 63.200 -0.063 0.000 0.803 255 S HN 0.273 nan 8.310 nan 0.000 0.480 256 N N 0.659 119.315 118.700 -0.074 0.000 2.322 256 N HA 0.163 4.903 4.740 -0.000 0.000 0.216 256 N C 0.760 176.237 175.510 -0.055 0.000 1.144 256 N CA 0.463 53.479 53.050 -0.058 0.000 0.830 256 N CB 0.629 39.082 38.487 -0.057 0.000 1.034 256 N HN 0.469 nan 8.380 nan 0.000 0.484 257 G N 0.625 109.390 108.800 -0.057 0.000 2.176 257 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.252 257 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.252 257 G C -0.132 174.737 174.900 -0.053 0.000 1.024 257 G CA -0.027 45.044 45.100 -0.048 0.000 0.755 257 G HN 0.186 nan 8.290 nan 0.000 0.507 258 V N 0.734 120.604 119.914 -0.074 0.000 2.435 258 V HA 0.647 4.767 4.120 -0.000 0.000 0.290 258 V C 0.616 176.660 176.094 -0.083 0.000 1.030 258 V CA -0.227 62.027 62.300 -0.077 0.000 0.881 258 V CB 1.822 33.586 31.823 -0.099 0.000 0.983 258 V HN 0.330 nan 8.190 nan 0.000 0.445 259 T N 4.156 118.672 114.554 -0.062 0.000 2.837 259 T HA 0.511 4.861 4.350 -0.000 0.000 0.285 259 T C -0.213 174.451 174.700 -0.060 0.000 0.984 259 T CA -0.386 61.679 62.100 -0.058 0.000 1.049 259 T CB 1.538 70.382 68.868 -0.040 0.000 0.947 259 T HN 0.360 nan 8.240 nan 0.000 0.472 260 V N 4.391 124.264 119.914 -0.068 0.000 2.311 260 V HA 0.262 4.382 4.120 -0.000 0.000 0.275 260 V C 1.144 177.209 176.094 -0.048 0.000 1.022 260 V CA -0.662 61.600 62.300 -0.064 0.000 0.830 260 V CB 1.109 32.880 31.823 -0.086 0.000 1.012 260 V HN 0.733 nan 8.190 nan 0.000 0.452 261 K N 3.684 124.063 120.400 -0.036 0.000 2.025 261 K HA 0.082 4.402 4.320 -0.000 0.000 0.207 261 K C 1.471 178.053 176.600 -0.030 0.000 1.049 261 K CA 1.398 57.669 56.287 -0.026 0.000 0.933 261 K CB -0.355 32.136 32.500 -0.015 0.000 0.714 261 K HN 0.810 nan 8.250 nan 0.000 0.438 262 G N -0.393 108.384 108.800 -0.039 0.000 2.735 262 G HA2 0.070 4.030 3.960 -0.000 0.000 0.192 262 G HA3 0.070 4.030 3.960 -0.000 0.000 0.192 262 G C -0.481 174.377 174.900 -0.069 0.000 1.547 262 G CA -0.372 44.699 45.100 -0.049 0.000 1.080 262 G HN 0.124 nan 8.290 nan 0.000 0.569 263 D N -1.162 119.174 120.400 -0.107 0.000 2.326 263 D HA 0.515 5.155 4.640 -0.000 0.000 0.248 263 D C -0.471 175.718 176.300 -0.185 0.000 1.001 263 D CA -0.158 53.771 54.000 -0.117 0.000 0.961 263 D CB 2.129 42.868 40.800 -0.102 0.000 1.183 263 D HN 0.027 nan 8.370 nan 0.000 0.502 264 V N 0.267 120.106 119.914 -0.124 0.000 2.417 264 V HA 0.821 4.941 4.120 -0.000 0.000 0.291 264 V C 0.672 176.702 176.094 -0.107 0.000 1.024 264 V CA -0.373 61.849 62.300 -0.129 0.000 0.861 264 V CB 1.327 33.138 31.823 -0.020 0.000 0.985 264 V HN 0.737 nan 8.190 nan 0.000 0.436 265 G N 3.292 111.997 108.800 -0.158 0.000 2.548 265 G HA2 0.624 4.584 3.960 -0.000 0.000 0.301 265 G HA3 0.624 4.584 3.960 -0.000 0.000 0.301 265 G C -2.076 172.874 174.900 0.083 0.000 1.349 265 G CA -0.877 44.207 45.100 -0.027 0.000 0.792 265 G HN 0.471 nan 8.290 nan 0.000 0.481 266 L N 0.599 121.925 121.223 0.171 0.000 2.289 266 L HA 0.806 5.146 4.340 -0.000 0.000 0.285 266 L C 0.792 177.827 176.870 0.275 0.000 1.049 266 L CA 0.339 55.299 54.840 0.199 0.000 0.804 266 L CB 1.421 43.556 42.059 0.127 0.000 1.195 266 L HN 1.055 nan 8.230 nan 0.000 0.428 267 G N 0.796 109.735 108.800 0.232 0.000 2.579 267 G HA2 0.556 4.516 3.960 -0.000 0.000 0.292 267 G HA3 0.556 4.516 3.960 -0.000 0.000 0.292 267 G C -1.302 173.661 174.900 0.105 0.000 1.484 267 G CA -0.326 44.805 45.100 0.053 0.000 0.813 267 G HN 0.727 nan 8.290 nan 0.000 0.515 268 G N -0.614 108.176 108.800 -0.017 0.000 2.371 268 G HA2 0.582 4.542 3.960 -0.000 0.000 0.326 268 G HA3 0.582 4.542 3.960 -0.000 0.000 0.326 268 G C 0.160 174.830 174.900 -0.383 0.000 1.127 268 G CA -0.492 44.554 45.100 -0.090 0.000 0.885 268 G HN 1.106 nan 8.290 nan 0.000 0.477 269 V N 3.795 123.326 119.914 -0.638 0.000 2.583 269 V HA -0.053 4.067 4.120 -0.000 0.000 0.302 269 V C -0.703 174.885 176.094 -0.843 0.000 1.033 269 V CA -0.254 61.378 62.300 -1.113 0.000 1.194 269 V CB 0.895 32.299 31.823 -0.699 0.000 0.879 269 V HN 0.681 nan 8.190 nan 0.000 0.482 270 P HA -0.242 nan 4.420 nan 0.000 0.217 270 P C 1.206 178.255 177.300 -0.419 0.000 1.148 270 P CA 2.034 64.666 63.100 -0.780 0.000 0.834 270 P CB 0.090 31.113 31.700 -1.129 0.000 0.783 271 A N -0.811 121.807 122.820 -0.338 0.000 2.125 271 A HA -0.305 4.015 4.320 -0.000 0.000 0.226 271 A C 1.789 179.357 177.584 -0.026 0.000 0.600 271 A CA 1.680 53.639 52.037 -0.130 0.000 1.189 271 A CB -2.540 16.396 19.000 -0.105 0.000 1.399 271 A HN 0.421 nan 8.150 nan 0.000 0.704 272 D N -0.613 119.780 120.400 -0.011 0.000 2.178 272 D HA -0.101 4.539 4.640 -0.000 0.000 0.201 272 D C 0.566 176.999 176.300 0.222 0.000 0.980 272 D CA 1.130 55.183 54.000 0.089 0.000 0.842 272 D CB -0.742 40.109 40.800 0.086 0.000 0.948 272 D HN 0.647 nan 8.370 nan 0.000 0.472 273 W N 2.124 123.397 121.300 -0.046 0.000 2.343 273 W HA 0.115 4.775 4.660 -0.000 0.000 0.337 273 W C 1.723 178.216 176.519 -0.042 0.000 1.320 273 W CA -0.147 57.171 57.345 -0.046 0.000 1.290 273 W CB -0.058 29.357 29.460 -0.074 0.000 1.206 273 W HN 0.265 nan 8.180 nan 0.000 0.565 274 Q N 0.373 120.267 119.800 0.158 0.000 2.126 274 Q HA 0.064 4.404 4.340 -0.000 0.000 0.233 274 Q C -0.403 175.626 176.000 0.049 0.000 0.788 274 Q CA -0.023 55.833 55.803 0.088 0.000 0.968 274 Q CB 0.651 29.423 28.738 0.057 0.000 1.163 274 Q HN 0.340 nan 8.270 nan 0.000 0.471 275 D N 1.775 122.190 120.400 0.024 0.000 2.517 275 D HA 0.463 5.103 4.640 -0.000 0.000 0.301 275 D C -0.867 175.425 176.300 -0.013 0.000 1.202 275 D CA -0.227 53.772 54.000 -0.001 0.000 0.910 275 D CB 0.902 41.689 40.800 -0.021 0.000 1.021 275 D HN 0.343 nan 8.370 nan 0.000 0.499 276 A N 1.691 124.529 122.820 0.030 0.000 2.407 276 A HA 0.428 4.748 4.320 -0.000 0.000 0.248 276 A C 0.306 177.902 177.584 0.020 0.000 1.082 276 A CA -0.290 51.777 52.037 0.051 0.000 0.785 276 A CB 0.616 19.689 19.000 0.122 0.000 1.020 276 A HN 0.340 nan 8.150 nan 0.000 0.489 277 E N 1.570 121.781 120.200 0.017 0.000 2.073 277 E HA 0.421 4.771 4.350 -0.000 0.000 0.269 277 E C -1.140 175.484 176.600 0.040 0.000 0.917 277 E CA -0.348 56.059 56.400 0.012 0.000 0.757 277 E CB 0.909 30.602 29.700 -0.012 0.000 1.111 277 E HN 0.280 nan 8.360 nan 0.000 0.410 278 V N 7.716 127.648 119.914 0.030 0.000 2.302 278 V HA 0.010 4.129 4.120 -0.000 0.000 0.244 278 V C 1.467 177.582 176.094 0.035 0.000 1.160 278 V CA 0.252 62.571 62.300 0.032 0.000 1.127 278 V CB -0.392 31.437 31.823 0.010 0.000 1.253 278 V HN 0.832 nan 8.190 nan 0.000 0.496 279 L N 2.932 124.189 121.223 0.055 0.000 2.093 279 L HA 0.122 4.462 4.340 -0.000 0.000 0.208 279 L C 1.163 178.068 176.870 0.059 0.000 1.085 279 L CA 1.438 56.312 54.840 0.058 0.000 0.755 279 L CB -0.134 41.973 42.059 0.081 0.000 0.904 279 L HN 0.719 nan 8.230 nan 0.000 0.435 280 A N -0.313 122.544 122.820 0.061 0.000 2.549 280 A HA 0.591 4.911 4.320 -0.000 0.000 0.297 280 A C -1.676 175.923 177.584 0.026 0.000 1.061 280 A CA -0.635 51.435 52.037 0.055 0.000 0.690 280 A CB 1.581 20.636 19.000 0.092 0.000 1.287 280 A HN 0.166 nan 8.150 nan 0.000 0.402 281 D N -0.515 119.900 120.400 0.025 0.000 2.652 281 D HA 0.730 5.370 4.640 -0.000 0.000 0.285 281 D C -0.813 175.533 176.300 0.077 0.000 1.173 281 D CA -0.303 53.705 54.000 0.014 0.000 0.981 281 D CB 1.051 41.840 40.800 -0.019 0.000 1.440 281 D HN 0.688 nan 8.370 nan 0.000 0.485 282 H N -2.090 116.940 119.070 -0.067 0.000 3.079 282 H HA 0.646 5.202 4.556 -0.000 0.000 0.356 282 H C -1.633 173.654 175.328 -0.069 0.000 1.221 282 H CA -0.304 55.709 56.048 -0.059 0.000 1.185 282 H CB 2.210 31.937 29.762 -0.058 0.000 1.882 282 H HN 0.371 nan 8.280 nan 0.000 0.543 283 T N 2.900 116.990 114.554 -0.773 0.000 2.879 283 T HA 0.380 4.730 4.350 -0.000 0.000 0.290 283 T C -0.474 173.855 174.700 -0.619 0.000 0.993 283 T CA -0.574 61.210 62.100 -0.527 0.000 0.975 283 T CB 0.954 69.645 68.868 -0.295 0.000 0.981 283 T HN 0.720 nan 8.240 nan 0.000 0.439 284 S N 2.570 118.077 115.700 -0.322 0.000 2.600 284 S HA 0.691 5.161 4.470 -0.000 0.000 0.265 284 S C 0.802 175.341 174.600 -0.101 0.000 1.325 284 S CA -0.696 57.415 58.200 -0.149 0.000 1.002 284 S CB 0.524 63.735 63.200 0.019 0.000 0.921 284 S HN 0.972 nan 8.310 nan 0.000 0.554 285 A N 1.215 124.009 122.820 -0.043 0.000 2.492 285 A HA 0.258 4.578 4.320 -0.000 0.000 0.236 285 A C 0.540 178.125 177.584 0.003 0.000 1.078 285 A CA -0.227 51.802 52.037 -0.013 0.000 0.773 285 A CB -0.447 18.563 19.000 0.016 0.000 1.023 285 A HN 0.902 nan 8.150 nan 0.000 0.504 286 E N -0.250 119.954 120.200 0.007 0.000 2.374 286 E HA 0.180 4.529 4.350 -0.000 0.000 0.260 286 E C 0.973 177.616 176.600 0.072 0.000 1.101 286 E CA -0.572 55.833 56.400 0.009 0.000 0.907 286 E CB 0.523 30.221 29.700 -0.003 0.000 1.014 286 E HN 0.593 nan 8.360 nan 0.000 0.427 287 L N 2.539 123.819 121.223 0.096 0.000 2.034 287 L HA -0.326 4.014 4.340 -0.000 0.000 0.217 287 L C 2.185 179.131 176.870 0.127 0.000 1.077 287 L CA 2.666 57.594 54.840 0.147 0.000 0.769 287 L CB -0.818 41.316 42.059 0.125 0.000 0.890 287 L HN 0.696 nan 8.230 nan 0.000 0.435 288 S N -1.719 114.043 115.700 0.104 0.000 2.419 288 S HA -0.147 4.323 4.470 -0.000 0.000 0.233 288 S C 1.693 176.371 174.600 0.130 0.000 1.016 288 S CA 1.096 59.366 58.200 0.116 0.000 0.974 288 S CB -0.552 62.712 63.200 0.107 0.000 0.786 288 S HN 0.605 nan 8.310 nan 0.000 0.492 289 E N 1.617 121.890 120.200 0.121 0.000 2.086 289 E HA 0.199 4.549 4.350 -0.000 0.000 0.190 289 E C 2.108 178.813 176.600 0.175 0.000 0.975 289 E CA 0.548 57.030 56.400 0.138 0.000 0.813 289 E CB -0.624 29.143 29.700 0.111 0.000 0.768 289 E HN 0.569 nan 8.360 nan 0.000 0.457 290 I N 1.401 122.056 120.570 0.142 0.000 2.423 290 I HA -0.240 3.930 4.170 -0.000 0.000 0.254 290 I C 2.294 178.570 176.117 0.264 0.000 1.151 290 I CA 0.748 62.129 61.300 0.134 0.000 1.421 290 I CB -0.204 37.815 38.000 0.031 0.000 1.079 290 I HN 0.048 nan 8.210 nan 0.000 0.431 291 L N -0.078 121.307 121.223 0.270 0.000 2.265 291 L HA -0.187 4.152 4.340 -0.000 0.000 0.215 291 L C 2.348 179.388 176.870 0.283 0.000 1.117 291 L CA 1.029 56.079 54.840 0.349 0.000 0.782 291 L CB -0.340 41.864 42.059 0.241 0.000 0.914 291 L HN 0.176 nan 8.230 nan 0.000 0.441 292 V N 0.555 120.628 119.914 0.265 0.000 2.256 292 V HA -0.089 4.030 4.120 -0.000 0.000 0.240 292 V C -0.287 175.964 176.094 0.261 0.000 1.036 292 V CA 1.422 63.852 62.300 0.218 0.000 1.008 292 V CB -1.639 30.341 31.823 0.262 0.000 0.648 292 V HN 0.295 nan 8.190 nan 0.000 0.453 293 P HA -0.232 nan 4.420 nan 0.000 0.218 293 P C 1.663 179.273 177.300 0.516 0.000 1.146 293 P CA 1.852 65.306 63.100 0.590 0.000 0.813 293 P CB -0.147 32.017 31.700 0.772 0.000 0.778 294 F N 0.045 120.190 119.950 0.325 0.000 2.118 294 F HA -0.063 4.463 4.527 -0.000 0.000 0.293 294 F C 2.135 178.003 175.800 0.112 0.000 1.102 294 F CA 1.113 59.286 58.000 0.290 0.000 1.247 294 F CB -0.300 38.941 39.000 0.402 0.000 1.017 294 F HN -0.325 nan 8.300 nan 0.000 0.475 295 M N 0.491 119.876 119.600 -0.358 0.000 2.388 295 M HA -0.035 4.445 4.480 -0.000 0.000 0.265 295 M C 1.804 177.885 176.300 -0.366 0.000 1.088 295 M CA 0.951 55.945 55.300 -0.510 0.000 1.134 295 M CB -0.919 31.411 32.600 -0.449 0.000 1.384 295 M HN 0.096 nan 8.290 nan 0.000 0.447 296 K N -0.029 120.149 120.400 -0.369 0.000 2.147 296 K HA -0.062 4.258 4.320 -0.000 0.000 0.205 296 K C 1.313 177.492 176.600 -0.702 0.000 1.049 296 K CA 1.340 57.249 56.287 -0.629 0.000 0.936 296 K CB -0.125 31.807 32.500 -0.946 0.000 0.722 296 K HN 0.302 nan 8.250 nan 0.000 0.446 297 F N -0.530 119.327 119.950 -0.154 0.000 2.767 297 F HA 0.229 4.756 4.527 -0.000 0.000 0.323 297 F C 0.483 176.213 175.800 -0.116 0.000 1.091 297 F CA -0.544 57.373 58.000 -0.138 0.000 1.192 297 F CB 0.375 39.293 39.000 -0.136 0.000 1.056 297 F HN -0.282 nan 8.300 nan 0.000 0.571 298 S N 1.396 117.093 115.700 -0.005 0.000 3.886 298 S HA -0.289 4.181 4.470 -0.000 0.000 0.398 298 S C 0.095 174.726 174.600 0.053 0.000 0.931 298 S CA 0.089 58.258 58.200 -0.052 0.000 1.217 298 S CB -1.878 61.283 63.200 -0.066 0.000 0.874 298 S HN 0.577 nan 8.310 nan 0.000 0.521 299 N N 1.327 120.110 118.700 0.138 0.000 2.400 299 N HA 0.217 4.957 4.740 -0.000 0.000 0.267 299 N C 1.192 176.837 175.510 0.225 0.000 1.208 299 N CA -0.355 52.760 53.050 0.108 0.000 0.951 299 N CB 0.306 38.670 38.487 -0.205 0.000 1.227 299 N HN 0.353 nan 8.380 nan 0.000 0.488 300 N N 2.598 121.393 118.700 0.159 0.000 2.036 300 N HA -0.146 4.594 4.740 -0.000 0.000 0.195 300 N C 1.850 177.507 175.510 0.245 0.000 1.037 300 N CA 1.502 54.666 53.050 0.189 0.000 0.855 300 N CB -0.633 37.913 38.487 0.097 0.000 1.033 300 N HN 0.690 nan 8.380 nan 0.000 0.423 301 G N 0.591 109.515 108.800 0.205 0.000 2.513 301 G HA2 -0.313 3.646 3.960 -0.000 0.000 0.219 301 G HA3 -0.313 3.646 3.960 -0.000 0.000 0.219 301 G C 1.249 176.304 174.900 0.259 0.000 1.160 301 G CA 1.361 46.608 45.100 0.244 0.000 0.767 301 G HN 0.383 nan 8.290 nan 0.000 0.571 302 H N 0.994 120.108 119.070 0.073 0.000 2.319 302 H HA -0.031 4.524 4.556 -0.000 0.000 0.297 302 H C 2.896 178.066 175.328 -0.263 0.000 1.097 302 H CA 1.310 57.265 56.048 -0.155 0.000 1.285 302 H CB -0.865 28.729 29.762 -0.280 0.000 1.368 302 H HN 0.390 nan 8.280 nan 0.000 0.495 303 A N 1.223 124.096 122.820 0.088 0.000 1.902 303 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 303 A C 2.262 179.928 177.584 0.137 0.000 1.181 303 A CA 1.732 53.853 52.037 0.139 0.000 0.623 303 A CB -0.149 19.134 19.000 0.473 0.000 0.818 303 A HN 0.335 nan 8.150 nan 0.000 0.443 304 E N -0.188 120.145 120.200 0.222 0.000 2.106 304 E HA -0.154 4.196 4.350 -0.000 0.000 0.192 304 E C 2.060 178.615 176.600 -0.074 0.000 0.984 304 E CA 1.138 57.663 56.400 0.209 0.000 0.806 304 E CB -0.526 29.436 29.700 0.436 0.000 0.750 304 E HN 0.717 nan 8.360 nan 0.000 0.458 305 M N 0.189 119.777 119.600 -0.019 0.000 2.108 305 M HA -0.152 4.328 4.480 -0.000 0.000 0.261 305 M C 2.364 178.585 176.300 -0.132 0.000 1.066 305 M CA 1.271 56.559 55.300 -0.019 0.000 1.107 305 M CB -0.348 32.286 32.600 0.057 0.000 1.356 305 M HN 0.061 nan 8.290 nan 0.000 0.406 306 L N -0.932 120.212 121.223 -0.131 0.000 2.141 306 L HA -0.140 4.199 4.340 -0.000 0.000 0.209 306 L C 2.351 179.155 176.870 -0.111 0.000 1.094 306 L CA 0.569 55.352 54.840 -0.094 0.000 0.763 306 L CB -0.507 41.487 42.059 -0.108 0.000 0.908 306 L HN 0.078 nan 8.230 nan 0.000 0.437 307 V N -0.065 119.772 119.914 -0.127 0.000 2.427 307 V HA -0.263 3.857 4.120 -0.000 0.000 0.248 307 V C 2.381 178.283 176.094 -0.319 0.000 1.051 307 V CA 1.672 63.892 62.300 -0.134 0.000 1.048 307 V CB -0.453 31.363 31.823 -0.012 0.000 0.666 307 V HN 0.443 nan 8.190 nan 0.000 0.456 308 K N -0.502 119.530 120.400 -0.612 0.000 2.228 308 K HA -0.037 4.283 4.320 -0.000 0.000 0.202 308 K C 2.352 178.547 176.600 -0.675 0.000 1.051 308 K CA 1.199 56.926 56.287 -0.934 0.000 0.960 308 K CB -0.209 31.218 32.500 -1.788 0.000 0.743 308 K HN 0.314 nan 8.250 nan 0.000 0.458 309 S N 1.444 116.930 115.700 -0.356 0.000 2.399 309 S HA -0.037 4.433 4.470 -0.000 0.000 0.231 309 S C 1.899 176.469 174.600 -0.049 0.000 1.022 309 S CA 0.828 59.055 58.200 0.045 0.000 0.983 309 S CB -0.134 63.230 63.200 0.272 0.000 0.803 309 S HN 0.210 nan 8.310 nan 0.000 0.480 310 I N 0.960 121.461 120.570 -0.114 0.000 2.193 310 I HA -0.092 4.078 4.170 -0.000 0.000 0.240 310 I C 2.769 178.816 176.117 -0.117 0.000 1.084 310 I CA 1.095 62.339 61.300 -0.095 0.000 1.365 310 I CB -1.100 36.859 38.000 -0.069 0.000 1.064 310 I HN 0.354 nan 8.210 nan 0.000 0.410 311 G N 0.284 108.980 108.800 -0.173 0.000 2.503 311 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.221 311 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.221 311 G C 1.627 176.411 174.900 -0.193 0.000 1.131 311 G CA 0.623 45.612 45.100 -0.184 0.000 0.756 311 G HN 0.309 nan 8.290 nan 0.000 0.572 312 Q N -0.159 119.502 119.800 -0.232 0.000 2.049 312 Q HA -0.054 4.286 4.340 -0.000 0.000 0.198 312 Q C 2.518 178.428 176.000 -0.151 0.000 0.971 312 Q CA 1.585 57.214 55.803 -0.289 0.000 0.833 312 Q CB -0.275 28.173 28.738 -0.483 0.000 0.896 312 Q HN 0.606 nan 8.270 nan 0.000 0.434 313 E N 0.229 120.389 120.200 -0.066 0.000 2.051 313 E HA -0.123 4.227 4.350 -0.000 0.000 0.192 313 E C 1.613 178.195 176.600 -0.030 0.000 0.991 313 E CA 2.018 58.408 56.400 -0.016 0.000 0.799 313 E CB -0.161 29.527 29.700 -0.019 0.000 0.748 313 E HN 0.352 nan 8.360 nan 0.000 0.449 314 T N -3.445 111.080 114.554 -0.049 0.000 3.107 314 T HA 0.514 4.864 4.350 -0.000 0.000 0.249 314 T C 0.846 175.519 174.700 -0.045 0.000 1.096 314 T CA 0.319 62.396 62.100 -0.038 0.000 1.012 314 T CB 0.640 69.489 68.868 -0.032 0.000 0.977 314 T HN 0.181 nan 8.240 nan 0.000 0.527 315 A N -0.382 122.399 122.820 -0.065 0.000 2.654 315 A HA 0.648 4.967 4.320 -0.000 0.000 0.203 315 A C 1.436 178.969 177.584 -0.086 0.000 1.306 315 A CA 0.251 52.248 52.037 -0.066 0.000 1.041 315 A CB -0.538 18.423 19.000 -0.065 0.000 1.217 315 A HN 1.312 nan 8.150 nan 0.000 0.510 316 G N -0.291 108.440 108.800 -0.114 0.000 2.283 316 G HA2 0.181 4.141 3.960 -0.000 0.000 0.280 316 G HA3 0.181 4.141 3.960 -0.000 0.000 0.280 316 G C 0.344 175.136 174.900 -0.179 0.000 1.029 316 G CA 0.731 45.740 45.100 -0.151 0.000 0.840 316 G HN 2.102 nan 8.290 nan 0.000 0.505 317 A N -0.372 122.330 122.820 -0.196 0.000 2.569 317 A HA 0.756 5.076 4.320 -0.000 0.000 0.282 317 A C 0.535 177.977 177.584 -0.237 0.000 1.165 317 A CA 0.471 52.398 52.037 -0.183 0.000 0.747 317 A CB 1.094 20.021 19.000 -0.121 0.000 1.215 317 A HN 1.663 nan 8.150 nan 0.000 0.431 318 G N 2.530 111.167 108.800 -0.273 0.000 3.213 318 G HA2 0.441 4.401 3.960 -0.000 0.000 0.263 318 G HA3 0.441 4.401 3.960 -0.000 0.000 0.263 318 G C 0.365 175.047 174.900 -0.362 0.000 0.829 318 G CA 0.677 45.575 45.100 -0.337 0.000 1.983 318 G HN 1.108 nan 8.290 nan 0.000 0.616 319 T N -3.221 111.134 114.554 -0.331 0.000 2.907 319 T HA 0.398 4.748 4.350 -0.000 0.000 0.290 319 T C 0.633 175.176 174.700 -0.263 0.000 1.066 319 T CA -0.950 60.992 62.100 -0.263 0.000 1.012 319 T CB 1.754 70.556 68.868 -0.109 0.000 1.184 319 T HN 0.192 nan 8.240 nan 0.000 0.522 320 W N 0.727 121.933 121.300 -0.158 0.000 2.408 320 W HA 0.002 4.662 4.660 -0.000 0.000 0.311 320 W C 1.683 178.138 176.519 -0.107 0.000 1.190 320 W CA 1.283 58.546 57.345 -0.137 0.000 1.321 320 W CB -0.703 28.676 29.460 -0.136 0.000 1.143 320 W HN 0.779 nan 8.180 nan 0.000 0.501 321 D N 0.029 120.507 120.400 0.131 0.000 2.116 321 D HA -0.172 4.468 4.640 -0.000 0.000 0.193 321 D C 2.177 178.486 176.300 0.015 0.000 0.998 321 D CA 2.169 56.201 54.000 0.052 0.000 0.836 321 D CB -0.757 40.058 40.800 0.025 0.000 0.951 321 D HN 0.029 nan 8.370 nan 0.000 0.449 322 A N 0.638 123.447 122.820 -0.018 0.000 1.855 322 A HA 0.028 4.348 4.320 -0.000 0.000 0.215 322 A C 2.399 179.952 177.584 -0.051 0.000 1.191 322 A CA 2.002 54.011 52.037 -0.047 0.000 0.613 322 A CB -1.024 17.925 19.000 -0.084 0.000 0.829 322 A HN 0.307 nan 8.150 nan 0.000 0.442 323 G N -0.834 107.921 108.800 -0.076 0.000 2.471 323 G HA2 0.001 3.961 3.960 -0.000 0.000 0.219 323 G HA3 0.001 3.961 3.960 -0.000 0.000 0.219 323 G C 1.269 176.164 174.900 -0.009 0.000 1.125 323 G CA 0.845 45.898 45.100 -0.078 0.000 0.775 323 G HN 0.316 nan 8.290 nan 0.000 0.548 324 L N 0.558 121.801 121.223 0.034 0.000 2.179 324 L HA 0.108 4.448 4.340 -0.000 0.000 0.208 324 L C 2.990 179.875 176.870 0.025 0.000 1.096 324 L CA 0.645 55.516 54.840 0.052 0.000 0.779 324 L CB -0.754 41.349 42.059 0.072 0.000 0.922 324 L HN 0.092 nan 8.230 nan 0.000 0.443 325 V N -0.244 119.677 119.914 0.011 0.000 2.407 325 V HA -0.183 3.937 4.120 -0.000 0.000 0.248 325 V C 2.433 178.530 176.094 0.004 0.000 1.055 325 V CA 1.804 64.106 62.300 0.003 0.000 1.049 325 V CB -0.990 30.830 31.823 -0.005 0.000 0.662 325 V HN 0.550 nan 8.190 nan 0.000 0.455 326 G N -1.085 107.714 108.800 -0.002 0.000 2.464 326 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.217 326 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.217 326 G C 1.585 176.494 174.900 0.015 0.000 1.138 326 G CA 0.887 45.986 45.100 -0.002 0.000 0.793 326 G HN 0.372 nan 8.290 nan 0.000 0.539 327 V N 0.645 120.576 119.914 0.028 0.000 2.323 327 V HA -0.089 4.031 4.120 -0.000 0.000 0.244 327 V C 2.703 178.837 176.094 0.066 0.000 1.041 327 V CA 1.908 64.242 62.300 0.057 0.000 1.025 327 V CB 0.093 31.964 31.823 0.081 0.000 0.656 327 V HN 0.402 nan 8.190 nan 0.000 0.451 328 E N 0.462 120.690 120.200 0.046 0.000 2.150 328 E HA -0.236 4.114 4.350 -0.000 0.000 0.193 328 E C 2.038 178.662 176.600 0.040 0.000 0.985 328 E CA 1.427 57.851 56.400 0.040 0.000 0.814 328 E CB 0.068 29.778 29.700 0.016 0.000 0.752 328 E HN 0.706 nan 8.360 nan 0.000 0.466 329 E N -0.318 119.901 120.200 0.031 0.000 2.158 329 E HA -0.012 4.338 4.350 -0.000 0.000 0.191 329 E C 1.919 178.540 176.600 0.036 0.000 0.982 329 E CA 0.797 57.213 56.400 0.027 0.000 0.823 329 E CB 0.003 29.713 29.700 0.016 0.000 0.766 329 E HN 0.318 nan 8.360 nan 0.000 0.468 330 A N 0.686 123.532 122.820 0.043 0.000 1.929 330 A HA -0.115 4.205 4.320 -0.000 0.000 0.216 330 A C 2.076 179.703 177.584 0.071 0.000 1.176 330 A CA 0.776 52.845 52.037 0.053 0.000 0.628 330 A CB -0.479 18.551 19.000 0.049 0.000 0.816 330 A HN 0.145 nan 8.150 nan 0.000 0.444 331 L N -0.518 120.757 121.223 0.086 0.000 2.012 331 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 331 L C 2.900 179.816 176.870 0.076 0.000 1.073 331 L CA 1.532 56.435 54.840 0.105 0.000 0.748 331 L CB -0.612 41.544 42.059 0.163 0.000 0.891 331 L HN 0.325 nan 8.230 nan 0.000 0.431 332 S N 0.138 115.874 115.700 0.060 0.000 2.368 332 S HA -0.225 4.245 4.470 -0.000 0.000 0.226 332 S C 2.047 176.668 174.600 0.035 0.000 1.044 332 S CA 1.520 59.746 58.200 0.042 0.000 1.062 332 S CB -0.923 62.296 63.200 0.032 0.000 0.931 332 S HN 0.644 nan 8.310 nan 0.000 0.440 333 G N 1.083 109.905 108.800 0.037 0.000 2.503 333 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.221 333 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.221 333 G C 1.322 176.241 174.900 0.030 0.000 1.131 333 G CA 1.186 46.306 45.100 0.033 0.000 0.756 333 G HN 0.464 nan 8.290 nan 0.000 0.572 334 L N -0.004 121.243 121.223 0.040 0.000 2.492 334 L HA 0.413 4.753 4.340 -0.000 0.000 0.223 334 L C 1.906 178.774 176.870 -0.003 0.000 1.132 334 L CA 1.766 56.620 54.840 0.024 0.000 0.850 334 L CB 0.255 42.346 42.059 0.055 0.000 0.966 334 L HN 0.397 nan 8.230 nan 0.000 0.454 335 G N -1.893 106.913 108.800 0.010 0.000 2.421 335 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.188 335 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.188 335 G C 0.068 174.980 174.900 0.019 0.000 1.001 335 G CA -0.088 45.014 45.100 0.004 0.000 0.693 335 G HN 0.110 nan 8.290 nan 0.000 0.479 336 V N 2.239 122.175 119.914 0.036 0.000 2.585 336 V HA 0.373 4.493 4.120 -0.000 0.000 0.296 336 V C 0.485 176.615 176.094 0.060 0.000 1.035 336 V CA 0.116 62.452 62.300 0.061 0.000 1.084 336 V CB 1.517 33.404 31.823 0.107 0.000 0.953 336 V HN 0.365 nan 8.190 nan 0.000 0.483 337 D N 3.764 124.198 120.400 0.056 0.000 2.344 337 D HA 0.061 4.701 4.640 -0.000 0.000 0.253 337 D C 1.155 177.488 176.300 0.054 0.000 1.255 337 D CA 0.068 54.095 54.000 0.046 0.000 0.894 337 D CB 1.121 41.942 40.800 0.036 0.000 1.067 337 D HN 0.761 nan 8.370 nan 0.000 0.492 338 T N 0.954 115.534 114.554 0.044 0.000 3.278 338 T HA 0.327 4.676 4.350 -0.000 0.000 0.251 338 T C 1.432 176.135 174.700 0.005 0.000 1.039 338 T CA 0.187 62.306 62.100 0.032 0.000 0.935 338 T CB 0.177 69.063 68.868 0.030 0.000 1.034 338 T HN 0.238 nan 8.240 nan 0.000 0.575 339 A N 1.275 124.100 122.820 0.009 0.000 1.929 339 A HA 0.389 4.709 4.320 -0.000 0.000 0.216 339 A C 2.399 179.978 177.584 -0.008 0.000 1.176 339 A CA 0.929 52.966 52.037 0.001 0.000 0.628 339 A CB -1.070 17.934 19.000 0.006 0.000 0.816 339 A HN 0.621 nan 8.150 nan 0.000 0.444 340 G N -1.058 107.738 108.800 -0.007 0.000 2.920 340 G HA2 0.336 4.296 3.960 -0.000 0.000 0.208 340 G HA3 0.336 4.296 3.960 -0.000 0.000 0.208 340 G C 0.403 175.275 174.900 -0.046 0.000 1.159 340 G CA -0.248 44.842 45.100 -0.017 0.000 0.784 340 G HN 0.360 nan 8.290 nan 0.000 0.535 341 L N 1.309 122.492 121.223 -0.067 0.000 2.326 341 L HA 0.442 4.782 4.340 -0.000 0.000 0.278 341 L C -0.635 176.175 176.870 -0.100 0.000 1.092 341 L CA -0.478 54.285 54.840 -0.128 0.000 0.810 341 L CB 1.969 43.922 42.059 -0.177 0.000 1.153 341 L HN -0.185 nan 8.230 nan 0.000 0.439 342 V N 5.231 125.078 119.914 -0.111 0.000 2.483 342 V HA 0.362 4.482 4.120 -0.000 0.000 0.297 342 V C -0.516 175.522 176.094 -0.093 0.000 1.027 342 V CA -0.522 61.729 62.300 -0.080 0.000 0.855 342 V CB 2.017 33.806 31.823 -0.057 0.000 0.995 342 V HN 0.418 nan 8.190 nan 0.000 0.424 343 L N 4.460 125.639 121.223 -0.073 0.000 2.316 343 L HA 0.542 4.882 4.340 -0.000 0.000 0.280 343 L C 0.661 177.509 176.870 -0.037 0.000 1.006 343 L CA 0.219 55.025 54.840 -0.057 0.000 0.836 343 L CB 1.223 43.260 42.059 -0.038 0.000 1.221 343 L HN 0.544 nan 8.230 nan 0.000 0.418 344 N N 0.909 119.585 118.700 -0.041 0.000 2.227 344 N HA 0.078 4.818 4.740 -0.000 0.000 0.196 344 N C -0.720 174.721 175.510 -0.114 0.000 1.142 344 N CA 0.223 53.225 53.050 -0.080 0.000 0.887 344 N CB 0.715 39.153 38.487 -0.082 0.000 1.022 344 N HN 0.781 nan 8.380 nan 0.000 0.500 345 D N -3.741 116.663 120.400 0.006 0.000 2.738 345 D HA 0.238 4.877 4.640 -0.000 0.000 0.308 345 D C 0.769 177.202 176.300 0.221 0.000 1.311 345 D CA -0.463 53.603 54.000 0.111 0.000 0.799 345 D CB 0.257 41.133 40.800 0.126 0.000 1.332 345 D HN -0.109 nan 8.370 nan 0.000 0.441 346 G N -0.779 108.222 108.800 0.335 0.000 2.459 346 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.213 346 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.213 346 G C 1.210 176.286 174.900 0.293 0.000 1.155 346 G CA 1.076 46.356 45.100 0.299 0.000 0.811 346 G HN 0.656 nan 8.290 nan 0.000 0.534 347 S N -0.756 115.126 115.700 0.303 0.000 2.458 347 S HA 0.348 4.817 4.470 -0.000 0.000 0.223 347 S C 1.967 176.648 174.600 0.135 0.000 1.019 347 S CA 1.200 59.544 58.200 0.241 0.000 0.937 347 S CB 0.007 63.345 63.200 0.230 0.000 0.788 347 S HN 1.511 nan 8.310 nan 0.000 0.511 348 G N 1.020 109.889 108.800 0.115 0.000 2.176 348 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.232 348 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.232 348 G C 0.586 175.460 174.900 -0.042 0.000 0.986 348 G CA 0.287 45.409 45.100 0.037 0.000 0.643 348 G HN 0.462 nan 8.290 nan 0.000 0.522 349 L N 0.980 122.154 121.223 -0.082 0.000 2.043 349 L HA 0.020 4.360 4.340 -0.000 0.000 0.212 349 L C 1.989 178.729 176.870 -0.218 0.000 1.075 349 L CA 1.812 56.482 54.840 -0.283 0.000 0.752 349 L CB -0.368 41.291 42.059 -0.666 0.000 0.891 349 L HN 0.473 nan 8.230 nan 0.000 0.432 350 S N -0.275 115.446 115.700 0.036 0.000 2.549 350 S HA 0.055 4.525 4.470 -0.000 0.000 0.279 350 S C 1.044 175.628 174.600 -0.027 0.000 1.321 350 S CA -0.428 57.836 58.200 0.106 0.000 1.054 350 S CB 0.662 63.968 63.200 0.177 0.000 0.899 350 S HN 0.255 nan 8.310 nan 0.000 0.497 351 R N 3.248 123.716 120.500 -0.054 0.000 2.325 351 R HA 0.104 4.444 4.340 -0.000 0.000 0.214 351 R C 1.394 177.691 176.300 -0.005 0.000 0.961 351 R CA 0.488 56.558 56.100 -0.051 0.000 1.086 351 R CB -0.143 30.127 30.300 -0.049 0.000 1.037 351 R HN 0.720 nan 8.270 nan 0.000 0.493 352 G N -0.167 108.630 108.800 -0.005 0.000 3.324 352 G HA2 0.023 3.983 3.960 -0.000 0.000 0.251 352 G HA3 0.023 3.983 3.960 -0.000 0.000 0.251 352 G C 0.071 174.955 174.900 -0.026 0.000 1.072 352 G CA -0.357 44.736 45.100 -0.011 0.000 0.787 352 G HN 0.093 nan 8.290 nan 0.000 0.537 353 N N 0.658 119.342 118.700 -0.027 0.000 2.509 353 N HA 0.625 5.365 4.740 -0.000 0.000 0.287 353 N C -0.868 174.614 175.510 -0.047 0.000 1.121 353 N CA 0.092 53.117 53.050 -0.042 0.000 0.977 353 N CB 2.065 40.533 38.487 -0.032 0.000 1.167 353 N HN 0.006 nan 8.380 nan 0.000 0.476 354 L N 0.767 121.949 121.223 -0.069 0.000 2.482 354 L HA 0.535 4.874 4.340 -0.000 0.000 0.263 354 L C -0.246 176.562 176.870 -0.104 0.000 0.957 354 L CA -0.977 53.825 54.840 -0.063 0.000 0.836 354 L CB 2.046 44.078 42.059 -0.045 0.000 1.324 354 L HN 0.248 nan 8.230 nan 0.000 0.406 355 V N -1.363 118.504 119.914 -0.079 0.000 3.155 355 V HA 0.934 5.054 4.120 -0.000 0.000 0.313 355 V C -0.244 175.842 176.094 -0.012 0.000 1.162 355 V CA -0.535 61.713 62.300 -0.087 0.000 1.048 355 V CB 2.063 33.855 31.823 -0.051 0.000 1.092 355 V HN 0.834 nan 8.190 nan 0.000 0.447 356 T N -1.875 112.692 114.554 0.022 0.000 2.887 356 T HA 0.756 5.106 4.350 -0.000 0.000 0.288 356 T C 0.969 175.715 174.700 0.076 0.000 1.021 356 T CA -0.030 62.096 62.100 0.043 0.000 1.000 356 T CB 1.653 70.542 68.868 0.035 0.000 1.034 356 T HN 1.664 nan 8.240 nan 0.000 0.467 357 A N 1.652 124.512 122.820 0.067 0.000 1.940 357 A HA -0.085 4.235 4.320 -0.000 0.000 0.219 357 A C 1.938 179.567 177.584 0.074 0.000 1.176 357 A CA 1.810 53.891 52.037 0.073 0.000 0.631 357 A CB -0.995 18.048 19.000 0.071 0.000 0.814 357 A HN 0.914 nan 8.150 nan 0.000 0.446 358 D N -0.433 120.008 120.400 0.068 0.000 2.104 358 D HA -0.106 4.534 4.640 -0.000 0.000 0.194 358 D C 2.039 178.387 176.300 0.081 0.000 0.994 358 D CA 1.934 55.972 54.000 0.064 0.000 0.830 358 D CB -0.711 40.119 40.800 0.050 0.000 0.959 358 D HN 0.431 nan 8.370 nan 0.000 0.452 359 T N 0.613 115.231 114.554 0.106 0.000 2.759 359 T HA -0.093 4.257 4.350 -0.000 0.000 0.269 359 T C 2.244 177.076 174.700 0.221 0.000 1.042 359 T CA 0.758 62.956 62.100 0.164 0.000 1.140 359 T CB -0.277 68.695 68.868 0.173 0.000 0.864 359 T HN -0.003 nan 8.240 nan 0.000 0.455 360 V N 1.089 121.124 119.914 0.203 0.000 2.427 360 V HA -0.092 4.027 4.120 -0.000 0.000 0.248 360 V C 2.622 178.711 176.094 -0.008 0.000 1.051 360 V CA 1.097 63.470 62.300 0.121 0.000 1.048 360 V CB -0.587 31.294 31.823 0.095 0.000 0.666 360 V HN 0.327 nan 8.190 nan 0.000 0.456 361 V N 0.063 119.987 119.914 0.018 0.000 2.591 361 V HA -0.181 3.939 4.120 -0.000 0.000 0.249 361 V C 2.339 178.449 176.094 0.027 0.000 1.053 361 V CA 1.908 64.212 62.300 0.007 0.000 1.068 361 V CB -0.538 31.304 31.823 0.032 0.000 0.689 361 V HN 0.536 nan 8.190 nan 0.000 0.462 362 D N 0.452 120.877 120.400 0.042 0.000 2.087 362 D HA -0.184 4.456 4.640 -0.000 0.000 0.192 362 D C 2.053 178.362 176.300 0.015 0.000 0.993 362 D CA 1.479 55.503 54.000 0.040 0.000 0.828 362 D CB -0.238 40.598 40.800 0.061 0.000 0.968 362 D HN 0.266 nan 8.370 nan 0.000 0.448 363 L N 0.573 121.796 121.223 -0.001 0.000 2.013 363 L HA -0.155 4.185 4.340 -0.000 0.000 0.212 363 L C 2.317 179.136 176.870 -0.085 0.000 1.073 363 L CA 1.625 56.410 54.840 -0.092 0.000 0.753 363 L CB -0.845 41.027 42.059 -0.311 0.000 0.890 363 L HN 0.161 nan 8.230 nan 0.000 0.432 364 L N -0.939 120.271 121.223 -0.021 0.000 2.141 364 L HA -0.054 4.286 4.340 -0.000 0.000 0.209 364 L C 2.439 179.420 176.870 0.184 0.000 1.094 364 L CA 0.907 55.809 54.840 0.104 0.000 0.763 364 L CB -1.211 40.821 42.059 -0.046 0.000 0.908 364 L HN 0.466 nan 8.230 nan 0.000 0.437 365 G N -0.698 108.156 108.800 0.090 0.000 2.524 365 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.215 365 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.215 365 G C 1.383 176.275 174.900 -0.013 0.000 1.239 365 G CA 0.277 45.415 45.100 0.064 0.000 0.798 365 G HN 0.239 nan 8.290 nan 0.000 0.557 366 Q N 0.661 120.428 119.800 -0.054 0.000 2.133 366 Q HA -0.147 4.193 4.340 -0.000 0.000 0.208 366 Q C 2.808 178.665 176.000 -0.239 0.000 0.991 366 Q CA 1.660 57.393 55.803 -0.117 0.000 0.867 366 Q CB -0.921 27.763 28.738 -0.089 0.000 0.911 366 Q HN 0.479 nan 8.270 nan 0.000 0.417 367 A N 0.582 123.229 122.820 -0.289 0.000 2.168 367 A HA 0.065 4.385 4.320 -0.000 0.000 0.215 367 A C 2.259 179.588 177.584 -0.424 0.000 1.152 367 A CA 1.214 52.914 52.037 -0.561 0.000 0.716 367 A CB -0.697 17.784 19.000 -0.864 0.000 0.794 367 A HN 0.432 nan 8.150 nan 0.000 0.465 368 G N 0.258 108.964 108.800 -0.157 0.000 2.421 368 G HA2 -0.154 3.805 3.960 -0.000 0.000 0.216 368 G HA3 -0.154 3.805 3.960 -0.000 0.000 0.216 368 G C 1.676 176.462 174.900 -0.191 0.000 1.171 368 G CA 1.463 46.500 45.100 -0.106 0.000 0.775 368 G HN 0.932 nan 8.290 nan 0.000 0.543 369 S N -0.141 115.428 115.700 -0.218 0.000 2.597 369 S HA 0.671 5.141 4.470 -0.000 0.000 0.224 369 S C 0.879 175.287 174.600 -0.321 0.000 0.955 369 S CA 0.317 58.387 58.200 -0.217 0.000 0.933 369 S CB 0.270 63.384 63.200 -0.144 0.000 0.788 369 S HN 0.550 nan 8.310 nan 0.000 0.488 370 A N 3.006 125.499 122.820 -0.545 0.000 2.340 370 A HA 0.618 4.938 4.320 -0.000 0.000 0.268 370 A C -0.677 176.471 177.584 -0.727 0.000 1.100 370 A CA -1.658 49.901 52.037 -0.798 0.000 0.803 370 A CB 0.286 18.380 19.000 -1.511 0.000 1.043 370 A HN 0.296 nan 8.150 nan 0.000 0.488 371 P HA -0.179 nan 4.420 nan 0.000 0.215 371 P C 1.066 178.267 177.300 -0.166 0.000 1.157 371 P CA 1.677 64.620 63.100 -0.262 0.000 0.874 371 P CB -0.312 31.316 31.700 -0.120 0.000 0.790 372 W N -0.762 120.543 121.300 0.008 0.000 3.392 372 W HA 0.466 5.126 4.660 -0.000 0.000 0.277 372 W C 1.012 177.582 176.519 0.084 0.000 1.323 372 W CA -0.004 57.369 57.345 0.046 0.000 1.616 372 W CB -1.524 27.970 29.460 0.056 0.000 1.056 372 W HN -0.086 nan 8.180 nan 0.000 0.745 373 A N 0.844 123.716 122.820 0.088 0.000 2.121 373 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 373 A C 2.262 180.010 177.584 0.274 0.000 1.154 373 A CA 1.269 53.400 52.037 0.157 0.000 0.679 373 A CB -0.497 18.457 19.000 -0.078 0.000 0.795 373 A HN 0.401 nan 8.150 nan 0.000 0.458 374 Q N 0.153 120.076 119.800 0.205 0.000 2.096 374 Q HA -0.141 4.199 4.340 -0.000 0.000 0.197 374 Q C 2.186 178.310 176.000 0.207 0.000 0.964 374 Q CA 2.201 58.101 55.803 0.162 0.000 0.838 374 Q CB -0.301 28.502 28.738 0.108 0.000 0.906 374 Q HN 0.747 nan 8.270 nan 0.000 0.444 375 T N -1.548 113.164 114.554 0.265 0.000 2.857 375 T HA -0.127 4.223 4.350 -0.000 0.000 0.266 375 T C 1.625 176.504 174.700 0.297 0.000 1.048 375 T CA 0.933 63.181 62.100 0.248 0.000 1.139 375 T CB -0.823 68.191 68.868 0.242 0.000 0.874 375 T HN 0.547 nan 8.240 nan 0.000 0.455 376 W N 3.181 124.622 121.300 0.235 0.000 2.388 376 W HA -0.075 4.585 4.660 -0.000 0.000 0.294 376 W C 1.923 178.550 176.519 0.181 0.000 1.212 376 W CA 1.581 59.062 57.345 0.227 0.000 1.271 376 W CB -0.608 29.122 29.460 0.451 0.000 1.126 376 W HN 0.485 nan 8.180 nan 0.000 0.535 377 S N 0.339 116.159 115.700 0.201 0.000 2.548 377 S HA 0.253 4.723 4.470 -0.000 0.000 0.215 377 S C 1.843 176.444 174.600 0.001 0.000 0.976 377 S CA 0.491 58.702 58.200 0.019 0.000 0.908 377 S CB -0.197 63.070 63.200 0.112 0.000 0.781 377 S HN 0.198 nan 8.310 nan 0.000 0.519 378 A N 2.294 125.139 122.820 0.041 0.000 2.016 378 A HA 0.100 4.420 4.320 -0.000 0.000 0.217 378 A C 2.367 179.942 177.584 -0.015 0.000 1.162 378 A CA 1.233 53.286 52.037 0.026 0.000 0.662 378 A CB -0.889 18.150 19.000 0.065 0.000 0.812 378 A HN 0.757 nan 8.150 nan 0.000 0.450 379 S N -0.296 115.376 115.700 -0.047 0.000 2.453 379 S HA 0.144 4.614 4.470 -0.000 0.000 0.231 379 S C 0.719 175.202 174.600 -0.194 0.000 1.005 379 S CA -0.072 58.074 58.200 -0.089 0.000 0.949 379 S CB -0.632 62.525 63.200 -0.071 0.000 0.774 379 S HN 0.375 nan 8.310 nan 0.000 0.510 380 L N 2.614 123.692 121.223 -0.242 0.000 2.416 380 L HA 0.335 4.675 4.340 -0.000 0.000 0.272 380 L C -2.413 174.337 176.870 -0.200 0.000 1.161 380 L CA -2.117 52.559 54.840 -0.275 0.000 0.845 380 L CB -0.047 41.837 42.059 -0.291 0.000 1.119 380 L HN 0.037 nan 8.230 nan 0.000 0.464 381 P HA -0.018 nan 4.420 nan 0.000 0.264 381 P C -0.672 176.559 177.300 -0.114 0.000 1.183 381 P CA 0.038 63.027 63.100 -0.185 0.000 0.763 381 P CB 0.544 32.128 31.700 -0.195 0.000 0.807 382 V N 3.168 123.030 119.914 -0.087 0.000 2.398 382 V HA 0.475 4.595 4.120 -0.000 0.000 0.286 382 V C 0.585 176.652 176.094 -0.045 0.000 1.026 382 V CA -0.964 61.307 62.300 -0.048 0.000 0.868 382 V CB 1.165 32.969 31.823 -0.032 0.000 0.982 382 V HN 0.678 nan 8.190 nan 0.000 0.443 383 A N 3.749 126.549 122.820 -0.033 0.000 2.540 383 A HA 0.473 4.793 4.320 -0.000 0.000 0.239 383 A C 1.512 179.076 177.584 -0.032 0.000 1.061 383 A CA 0.672 52.689 52.037 -0.034 0.000 0.758 383 A CB -0.455 18.526 19.000 -0.032 0.000 0.991 383 A HN 2.275 nan 8.150 nan 0.000 0.502 384 G N 1.260 110.042 108.800 -0.029 0.000 2.203 384 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.263 384 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.263 384 G C -0.028 174.864 174.900 -0.014 0.000 1.012 384 G CA 0.510 45.597 45.100 -0.021 0.000 0.749 384 G HN 0.813 nan 8.290 nan 0.000 0.512 385 E N 0.427 120.618 120.200 -0.015 0.000 2.046 385 E HA 0.373 4.723 4.350 -0.000 0.000 0.279 385 E C 1.150 177.754 176.600 0.008 0.000 0.989 385 E CA 0.174 56.572 56.400 -0.003 0.000 0.798 385 E CB 1.254 30.950 29.700 -0.006 0.000 1.086 385 E HN 0.131 nan 8.360 nan 0.000 0.399 386 S N 2.500 118.210 115.700 0.017 0.000 2.420 386 S HA -0.179 4.291 4.470 -0.000 0.000 0.237 386 S C 0.741 175.370 174.600 0.049 0.000 1.023 386 S CA 0.860 59.077 58.200 0.028 0.000 0.991 386 S CB 0.065 63.281 63.200 0.027 0.000 0.792 386 S HN 0.429 nan 8.310 nan 0.000 0.488 387 D N 1.012 121.447 120.400 0.059 0.000 2.371 387 D HA 0.157 4.797 4.640 -0.000 0.000 0.256 387 D C -1.660 174.712 176.300 0.120 0.000 1.193 387 D CA -2.075 51.986 54.000 0.102 0.000 0.881 387 D CB 1.477 42.339 40.800 0.104 0.000 1.143 387 D HN 0.117 nan 8.370 nan 0.000 0.473 388 P HA -0.099 nan 4.420 nan 0.000 0.218 388 P C 0.910 178.231 177.300 0.035 0.000 1.148 388 P CA 0.924 64.123 63.100 0.165 0.000 0.822 388 P CB 0.028 31.884 31.700 0.261 0.000 0.784 389 F N -1.935 118.077 119.950 0.104 0.000 2.797 389 F HA -0.003 4.524 4.527 -0.000 0.000 0.302 389 F C 1.909 177.674 175.800 -0.059 0.000 1.130 389 F CA 0.511 58.529 58.000 0.030 0.000 1.387 389 F CB -0.303 38.765 39.000 0.113 0.000 1.107 389 F HN -0.242 nan 8.300 nan 0.000 0.577 390 V N -1.680 118.278 119.914 0.074 0.000 2.806 390 V HA 0.181 4.300 4.120 -0.000 0.000 0.239 390 V C 2.388 178.441 176.094 -0.069 0.000 1.113 390 V CA 1.321 63.627 62.300 0.009 0.000 1.137 390 V CB -0.813 31.033 31.823 0.038 0.000 0.865 390 V HN 0.241 nan 8.190 nan 0.000 0.482 391 G N -0.561 108.199 108.800 -0.066 0.000 2.539 391 G HA2 0.327 4.287 3.960 -0.000 0.000 0.215 391 G HA3 0.327 4.287 3.960 -0.000 0.000 0.215 391 G C 1.234 176.039 174.900 -0.157 0.000 1.141 391 G CA 0.993 46.042 45.100 -0.084 0.000 0.806 391 G HN 0.769 nan 8.290 nan 0.000 0.533 392 G N 0.553 109.197 108.800 -0.260 0.000 2.684 392 G HA2 -0.426 3.534 3.960 -0.000 0.000 0.332 392 G HA3 -0.426 3.534 3.960 -0.000 0.000 0.332 392 G C 1.535 176.335 174.900 -0.166 0.000 1.306 392 G CA 2.666 47.516 45.100 -0.416 0.000 1.002 392 G HN 1.208 nan 8.290 nan 0.000 0.545 393 T N -0.576 113.878 114.554 -0.166 0.000 3.163 393 T HA 0.367 4.716 4.350 -0.000 0.000 0.260 393 T C 1.835 176.491 174.700 -0.073 0.000 1.156 393 T CA 1.468 63.519 62.100 -0.080 0.000 1.072 393 T CB -0.005 68.813 68.868 -0.083 0.000 0.937 393 T HN 0.460 nan 8.240 nan 0.000 0.528 394 L N -0.321 120.851 121.223 -0.084 0.000 2.857 394 L HA 0.503 4.842 4.340 -0.000 0.000 0.249 394 L C 2.538 179.381 176.870 -0.045 0.000 1.172 394 L CA 0.038 54.842 54.840 -0.061 0.000 0.980 394 L CB -0.186 41.835 42.059 -0.063 0.000 1.299 394 L HN 0.295 nan 8.230 nan 0.000 0.535 395 A N 0.860 123.657 122.820 -0.038 0.000 1.902 395 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 395 A C 1.569 179.146 177.584 -0.012 0.000 1.181 395 A CA 1.744 53.769 52.037 -0.020 0.000 0.623 395 A CB -0.452 18.547 19.000 -0.002 0.000 0.818 395 A HN 0.578 nan 8.150 nan 0.000 0.443 396 N N -1.216 117.476 118.700 -0.013 0.000 2.235 396 N HA 0.156 4.896 4.740 -0.000 0.000 0.209 396 N C -0.213 175.286 175.510 -0.019 0.000 1.122 396 N CA -0.206 52.837 53.050 -0.012 0.000 0.845 396 N CB 0.470 38.952 38.487 -0.009 0.000 1.004 396 N HN 0.298 nan 8.380 nan 0.000 0.499 397 R N 0.547 121.032 120.500 -0.024 0.000 2.460 397 R HA 0.389 4.729 4.340 -0.000 0.000 0.303 397 R C 0.271 176.553 176.300 -0.030 0.000 0.968 397 R CA -0.391 55.691 56.100 -0.029 0.000 0.889 397 R CB 0.964 31.244 30.300 -0.033 0.000 1.123 397 R HN 0.104 nan 8.270 nan 0.000 0.455 398 M N 0.253 119.834 119.600 -0.032 0.000 2.943 398 M HA -0.252 4.228 4.480 -0.000 0.000 0.198 398 M C -0.419 175.864 176.300 -0.029 0.000 0.606 398 M CA 0.908 56.187 55.300 -0.035 0.000 0.744 398 M CB -0.916 31.659 32.600 -0.043 0.000 2.671 398 M HN 0.576 nan 8.290 nan 0.000 0.342 399 R N 0.922 121.409 120.500 -0.022 0.000 2.484 399 R HA 0.273 4.613 4.340 -0.000 0.000 0.293 399 R C 1.355 177.646 176.300 -0.015 0.000 1.023 399 R CA 1.227 57.318 56.100 -0.016 0.000 1.037 399 R CB 0.172 30.465 30.300 -0.011 0.000 0.951 399 R HN 0.541 nan 8.270 nan 0.000 0.418 400 G N 2.069 110.862 108.800 -0.012 0.000 2.160 400 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.244 400 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.244 400 G C 0.111 175.004 174.900 -0.011 0.000 1.022 400 G CA 0.550 45.645 45.100 -0.009 0.000 0.741 400 G HN 0.727 nan 8.290 nan 0.000 0.508 401 T N -4.236 110.309 114.554 -0.016 0.000 2.930 401 T HA 0.821 5.171 4.350 -0.000 0.000 0.290 401 T C 1.540 176.230 174.700 -0.017 0.000 1.052 401 T CA 0.287 62.376 62.100 -0.018 0.000 1.017 401 T CB 1.736 70.586 68.868 -0.030 0.000 1.137 401 T HN 1.418 nan 8.240 nan 0.000 0.511 402 A N 0.711 123.526 122.820 -0.009 0.000 1.997 402 A HA 0.079 4.399 4.320 -0.000 0.000 0.221 402 A C 2.403 179.961 177.584 -0.045 0.000 1.172 402 A CA 2.133 54.174 52.037 0.006 0.000 0.645 402 A CB -1.439 17.579 19.000 0.031 0.000 0.813 402 A HN 1.344 nan 8.150 nan 0.000 0.454 403 A N -0.671 122.108 122.820 -0.067 0.000 2.169 403 A HA 0.109 4.429 4.320 -0.000 0.000 0.212 403 A C 1.031 178.560 177.584 -0.091 0.000 1.153 403 A CA 0.535 52.510 52.037 -0.103 0.000 0.756 403 A CB -0.334 18.610 19.000 -0.094 0.000 0.813 403 A HN 0.643 nan 8.150 nan 0.000 0.471 404 E N 0.109 120.272 120.200 -0.062 0.000 2.493 404 E HA 0.249 4.599 4.350 -0.000 0.000 0.255 404 E C 1.162 177.733 176.600 -0.049 0.000 0.999 404 E CA 0.526 56.899 56.400 -0.044 0.000 0.934 404 E CB -0.138 29.546 29.700 -0.026 0.000 0.940 404 E HN 0.660 nan 8.360 nan 0.000 0.473 405 G N 2.848 111.624 108.800 -0.040 0.000 2.180 405 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.263 405 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.263 405 G C 0.584 175.453 174.900 -0.051 0.000 0.989 405 G CA 0.503 45.584 45.100 -0.033 0.000 0.692 405 G HN 0.455 nan 8.290 nan 0.000 0.526 406 V N -0.847 119.011 119.914 -0.093 0.000 2.840 406 V HA 0.199 4.319 4.120 -0.000 0.000 0.234 406 V C 1.777 177.826 176.094 -0.075 0.000 1.159 406 V CA 0.715 62.925 62.300 -0.150 0.000 1.194 406 V CB 0.280 31.863 31.823 -0.400 0.000 0.971 406 V HN 0.179 nan 8.190 nan 0.000 0.494 407 V N 2.514 122.394 119.914 -0.057 0.000 2.493 407 V HA 0.026 4.146 4.120 -0.000 0.000 0.292 407 V C 0.070 176.192 176.094 0.048 0.000 1.016 407 V CA 0.456 62.775 62.300 0.031 0.000 1.097 407 V CB 0.128 31.968 31.823 0.028 0.000 0.947 407 V HN 0.548 nan 8.190 nan 0.000 0.479 408 E N 4.281 124.539 120.200 0.098 0.000 2.113 408 E HA 0.718 5.068 4.350 -0.000 0.000 0.273 408 E C -0.225 176.380 176.600 0.008 0.000 0.924 408 E CA -0.208 56.225 56.400 0.055 0.000 0.764 408 E CB 1.670 31.434 29.700 0.106 0.000 1.104 408 E HN 0.822 nan 8.360 nan 0.000 0.406 409 A N 3.054 125.832 122.820 -0.069 0.000 2.606 409 A HA 0.625 4.945 4.320 -0.000 0.000 0.293 409 A C -1.454 176.013 177.584 -0.196 0.000 1.082 409 A CA -0.904 51.039 52.037 -0.156 0.000 0.685 409 A CB 1.617 20.609 19.000 -0.013 0.000 1.284 409 A HN 0.361 nan 8.150 nan 0.000 0.408 410 K N 1.071 121.319 120.400 -0.253 0.000 2.265 410 K HA 0.603 4.923 4.320 -0.000 0.000 0.267 410 K C 0.435 176.936 176.600 -0.166 0.000 0.994 410 K CA 0.351 56.498 56.287 -0.233 0.000 0.860 410 K CB 0.924 33.256 32.500 -0.280 0.000 1.099 410 K HN 0.957 nan 8.250 nan 0.000 0.448 411 T N 0.142 114.615 114.554 -0.135 0.000 2.833 411 T HA 0.798 5.148 4.350 -0.000 0.000 0.292 411 T C 0.258 174.903 174.700 -0.092 0.000 1.031 411 T CA -0.401 61.641 62.100 -0.097 0.000 0.937 411 T CB 1.127 69.942 68.868 -0.089 0.000 1.256 411 T HN 0.721 nan 8.240 nan 0.000 0.551 412 G N -0.013 108.740 108.800 -0.078 0.000 1.875 412 G HA2 0.423 4.383 3.960 -0.000 0.000 0.218 412 G HA3 0.423 4.383 3.960 -0.000 0.000 0.218 412 G C -0.850 174.009 174.900 -0.069 0.000 1.648 412 G CA -0.762 44.291 45.100 -0.078 0.000 0.941 412 G HN 0.813 nan 8.290 nan 0.000 0.689 413 T N 3.004 117.504 114.554 -0.090 0.000 2.881 413 T HA 0.815 5.165 4.350 -0.000 0.000 0.290 413 T C 0.440 175.065 174.700 -0.124 0.000 1.000 413 T CA -0.358 61.695 62.100 -0.079 0.000 0.978 413 T CB 1.511 70.339 68.868 -0.066 0.000 0.997 413 T HN 0.976 nan 8.240 nan 0.000 0.443 414 M N -0.404 119.136 119.600 -0.100 0.000 3.223 414 M HA 0.661 5.141 4.480 -0.000 0.000 0.282 414 M C -0.453 175.804 176.300 -0.072 0.000 1.346 414 M CA -1.135 54.083 55.300 -0.136 0.000 0.789 414 M CB 1.226 33.697 32.600 -0.215 0.000 1.724 414 M HN 0.235 nan 8.290 nan 0.000 0.447 415 S N 1.134 116.789 115.700 -0.074 0.000 2.737 415 S HA 0.295 4.765 4.470 -0.000 0.000 0.315 415 S C 1.169 175.717 174.600 -0.087 0.000 1.236 415 S CA 1.550 59.728 58.200 -0.037 0.000 1.093 415 S CB -0.718 62.501 63.200 0.032 0.000 0.832 415 S HN 1.248 nan 8.310 nan 0.000 0.507 416 G N 2.640 111.326 108.800 -0.190 0.000 2.233 416 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.270 416 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.270 416 G C -0.010 174.701 174.900 -0.315 0.000 1.011 416 G CA 0.407 45.194 45.100 -0.522 0.000 0.762 416 G HN 0.825 nan 8.290 nan 0.000 0.511 417 V N -0.825 119.078 119.914 -0.018 0.000 2.668 417 V HA 0.848 4.968 4.120 -0.000 0.000 0.304 417 V C -0.110 176.059 176.094 0.126 0.000 1.071 417 V CA -0.139 62.211 62.300 0.083 0.000 0.894 417 V CB 2.090 33.904 31.823 -0.015 0.000 1.008 417 V HN 0.714 nan 8.190 nan 0.000 0.425 418 S N 2.362 118.135 115.700 0.122 0.000 2.535 418 S HA 0.894 5.364 4.470 -0.000 0.000 0.272 418 S C -1.151 173.453 174.600 0.005 0.000 1.149 418 S CA 0.277 58.495 58.200 0.029 0.000 0.888 418 S CB 1.761 64.947 63.200 -0.023 0.000 1.110 418 S HN 1.616 nan 8.310 nan 0.000 0.463 419 A N 2.623 125.435 122.820 -0.014 0.000 2.520 419 A HA 0.852 5.171 4.320 -0.000 0.000 0.298 419 A C -2.052 175.518 177.584 -0.022 0.000 1.051 419 A CA -0.508 51.523 52.037 -0.011 0.000 0.690 419 A CB 1.694 20.690 19.000 -0.006 0.000 1.281 419 A HN 0.959 nan 8.150 nan 0.000 0.402 420 L N 1.377 122.599 121.223 -0.002 0.000 2.441 420 L HA 0.776 5.116 4.340 -0.000 0.000 0.270 420 L C -0.811 176.018 176.870 -0.068 0.000 0.973 420 L CA 0.273 55.121 54.840 0.013 0.000 0.842 420 L CB 1.908 44.043 42.059 0.126 0.000 1.239 420 L HN 0.643 nan 8.230 nan 0.000 0.406 421 S N 2.569 118.076 115.700 -0.321 0.000 2.548 421 S HA 1.007 5.477 4.470 -0.000 0.000 0.276 421 S C -0.190 173.880 174.600 -0.882 0.000 1.129 421 S CA -0.078 57.709 58.200 -0.689 0.000 0.931 421 S CB 1.870 64.846 63.200 -0.373 0.000 1.068 421 S HN 1.130 nan 8.310 nan 0.000 0.480 422 G N 1.356 109.342 108.800 -1.357 0.000 2.452 422 G HA2 0.388 4.348 3.960 -0.000 0.000 0.224 422 G HA3 0.388 4.348 3.960 -0.000 0.000 0.224 422 G C -2.474 171.955 174.900 -0.784 0.000 1.208 422 G CA -0.578 43.940 45.100 -0.969 0.000 0.946 422 G HN 0.468 nan 8.290 nan 0.000 0.481 423 Y N -0.676 119.627 120.300 0.004 0.000 2.429 423 Y HA 0.626 5.176 4.550 -0.000 0.000 0.342 423 Y C 0.160 176.205 175.900 0.242 0.000 1.004 423 Y CA -0.939 57.252 58.100 0.150 0.000 1.075 423 Y CB 2.582 41.094 38.460 0.087 0.000 1.214 423 Y HN 0.285 nan 8.280 nan 0.000 0.455 424 V N 4.726 124.879 119.914 0.399 0.000 2.250 424 V HA 0.320 4.440 4.120 -0.000 0.000 0.268 424 V C -2.403 173.813 176.094 0.203 0.000 1.043 424 V CA -2.195 60.242 62.300 0.228 0.000 0.814 424 V CB 0.448 32.365 31.823 0.157 0.000 1.072 424 V HN 0.569 nan 8.190 nan 0.000 0.451 425 P HA 0.252 nan 4.420 nan 0.000 0.266 425 P C 0.308 177.747 177.300 0.231 0.000 1.193 425 P CA 0.528 63.712 63.100 0.141 0.000 0.770 425 P CB 0.726 32.482 31.700 0.094 0.000 0.836 426 G N 1.897 110.804 108.800 0.178 0.000 2.571 426 G HA2 0.443 4.403 3.960 -0.000 0.000 0.304 426 G HA3 0.443 4.403 3.960 -0.000 0.000 0.304 426 G C -2.085 172.853 174.900 0.063 0.000 1.314 426 G CA -1.299 43.899 45.100 0.163 0.000 0.975 426 G HN 0.197 nan 8.290 nan 0.000 0.485 427 P HA -0.109 nan 4.420 nan 0.000 0.219 427 P C 1.055 178.339 177.300 -0.027 0.000 1.144 427 P CA 1.387 64.455 63.100 -0.054 0.000 0.806 427 P CB 0.455 32.077 31.700 -0.130 0.000 0.771 428 E N -2.214 117.979 120.200 -0.012 0.000 2.354 428 E HA 0.384 4.733 4.350 -0.000 0.000 0.203 428 E C 0.835 177.449 176.600 0.023 0.000 0.841 428 E CA 0.379 56.777 56.400 -0.004 0.000 1.046 428 E CB 0.470 30.159 29.700 -0.018 0.000 1.040 428 E HN 0.095 nan 8.360 nan 0.000 0.504 429 G N 2.237 111.066 108.800 0.048 0.000 2.046 429 G HA2 0.059 4.019 3.960 -0.000 0.000 0.245 429 G HA3 0.059 4.019 3.960 -0.000 0.000 0.245 429 G C -1.245 173.710 174.900 0.093 0.000 1.723 429 G CA -0.954 44.182 45.100 0.059 0.000 0.909 429 G HN 0.035 nan 8.290 nan 0.000 0.737 430 E N 0.355 120.608 120.200 0.088 0.000 3.417 430 E HA 0.037 4.387 4.350 -0.000 0.000 0.279 430 E C -0.093 176.607 176.600 0.166 0.000 0.851 430 E CA 0.516 56.987 56.400 0.118 0.000 0.980 430 E CB 0.209 29.946 29.700 0.062 0.000 0.934 430 E HN 0.400 nan 8.360 nan 0.000 0.541 431 L N 3.567 124.921 121.223 0.218 0.000 2.331 431 L HA 0.696 5.036 4.340 -0.000 0.000 0.275 431 L C -0.195 176.870 176.870 0.325 0.000 1.022 431 L CA -0.169 54.813 54.840 0.238 0.000 0.812 431 L CB 1.733 43.919 42.059 0.212 0.000 1.257 431 L HN 0.668 nan 8.230 nan 0.000 0.435 432 A N 2.676 125.660 122.820 0.272 0.000 2.365 432 A HA 0.875 5.194 4.320 -0.000 0.000 0.318 432 A C -1.178 176.535 177.584 0.214 0.000 1.091 432 A CA -0.408 51.753 52.037 0.207 0.000 0.763 432 A CB 1.008 20.087 19.000 0.132 0.000 1.248 432 A HN 0.571 nan 8.150 nan 0.000 0.442 433 F N -0.096 119.835 119.950 -0.031 0.000 2.626 433 F HA 0.860 5.387 4.527 -0.000 0.000 0.311 433 F C -0.441 175.332 175.800 -0.046 0.000 1.088 433 F CA -0.830 57.153 58.000 -0.029 0.000 0.949 433 F CB 1.758 40.735 39.000 -0.038 0.000 1.322 433 F HN 0.474 nan 8.300 nan 0.000 0.461 434 S N 2.291 118.018 115.700 0.045 0.000 2.614 434 S HA 0.753 5.222 4.470 -0.000 0.000 0.288 434 S C -1.365 173.299 174.600 0.107 0.000 1.137 434 S CA -0.531 57.655 58.200 -0.023 0.000 0.992 434 S CB 0.886 64.072 63.200 -0.022 0.000 1.026 434 S HN 0.634 nan 8.310 nan 0.000 0.486 435 I N 4.551 125.182 120.570 0.102 0.000 2.411 435 I HA 0.445 4.615 4.170 -0.000 0.000 0.284 435 I C -0.923 175.221 176.117 0.044 0.000 1.012 435 I CA -0.765 60.586 61.300 0.085 0.000 1.119 435 I CB 1.888 39.945 38.000 0.094 0.000 1.261 435 I HN 0.270 nan 8.210 nan 0.000 0.448 436 V N 5.945 125.886 119.914 0.045 0.000 2.350 436 V HA 0.369 4.489 4.120 -0.000 0.000 0.285 436 V C -0.270 175.852 176.094 0.046 0.000 1.014 436 V CA -0.725 61.599 62.300 0.040 0.000 0.831 436 V CB 1.215 33.065 31.823 0.044 0.000 1.000 436 V HN 0.630 nan 8.190 nan 0.000 0.433 437 N N 4.700 123.427 118.700 0.045 0.000 2.425 437 N HA 0.446 5.186 4.740 -0.000 0.000 0.268 437 N C -0.781 174.837 175.510 0.181 0.000 0.991 437 N CA -0.211 52.882 53.050 0.071 0.000 0.931 437 N CB 1.718 40.174 38.487 -0.051 0.000 1.130 437 N HN 0.683 nan 8.380 nan 0.000 0.493 438 N N -0.181 118.624 118.700 0.175 0.000 2.225 438 N HA 0.430 5.170 4.740 -0.000 0.000 0.298 438 N C 0.467 176.037 175.510 0.099 0.000 1.076 438 N CA -0.557 52.567 53.050 0.124 0.000 0.792 438 N CB 2.368 40.887 38.487 0.053 0.000 1.498 438 N HN 0.637 nan 8.380 nan 0.000 0.474 439 G N 0.768 109.533 108.800 -0.058 0.000 2.194 439 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.236 439 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.236 439 G C 0.002 174.866 174.900 -0.061 0.000 0.987 439 G CA 0.016 45.080 45.100 -0.060 0.000 0.635 439 G HN 0.851 nan 8.290 nan 0.000 0.520 440 H N 0.597 119.671 119.070 0.006 0.000 2.871 440 H HA 0.571 5.127 4.556 -0.000 0.000 0.355 440 H C 0.986 176.317 175.328 0.005 0.000 1.092 440 H CA 0.537 56.588 56.048 0.004 0.000 1.420 440 H CB 0.880 30.642 29.762 -0.001 0.000 1.400 440 H HN 0.043 nan 8.280 nan 0.000 0.604 441 S N 1.564 117.303 115.700 0.065 0.000 2.503 441 S HA 0.155 4.625 4.470 -0.000 0.000 0.215 441 S C 1.384 176.010 174.600 0.042 0.000 1.003 441 S CA 0.090 58.300 58.200 0.017 0.000 0.910 441 S CB 0.387 63.599 63.200 0.021 0.000 0.790 441 S HN 0.898 nan 8.310 nan 0.000 0.514 442 G N 2.028 110.888 108.800 0.099 0.000 2.695 442 G HA2 0.545 4.505 3.960 -0.000 0.000 0.213 442 G HA3 0.545 4.505 3.960 -0.000 0.000 0.213 442 G C -2.622 172.346 174.900 0.114 0.000 1.406 442 G CA -1.097 44.053 45.100 0.083 0.000 1.049 442 G HN 0.169 nan 8.290 nan 0.000 0.573 443 P HA 0.412 nan 4.420 nan 0.000 0.273 443 P C -0.098 177.250 177.300 0.080 0.000 1.250 443 P CA -0.235 62.904 63.100 0.066 0.000 0.793 443 P CB 0.319 32.031 31.700 0.020 0.000 1.011 444 A N 2.401 125.249 122.820 0.046 0.000 2.565 444 A HA 0.201 4.521 4.320 -0.000 0.000 0.237 444 A C -1.666 175.838 177.584 -0.134 0.000 1.053 444 A CA -0.534 51.475 52.037 -0.047 0.000 0.755 444 A CB -1.142 17.844 19.000 -0.025 0.000 0.980 444 A HN 0.428 nan 8.150 nan 0.000 0.506 445 P HA 0.182 nan 4.420 nan 0.000 0.220 445 P C 0.613 177.837 177.300 -0.127 0.000 1.806 445 P CA -0.092 62.898 63.100 -0.184 0.000 0.976 445 P CB 0.046 31.600 31.700 -0.243 0.000 1.952 446 L N 0.460 121.627 121.223 -0.093 0.000 2.141 446 L HA -0.121 4.219 4.340 -0.000 0.000 0.209 446 L C 2.375 179.208 176.870 -0.061 0.000 1.094 446 L CA 1.558 56.357 54.840 -0.069 0.000 0.763 446 L CB -0.766 41.260 42.059 -0.055 0.000 0.908 446 L HN 0.146 nan 8.230 nan 0.000 0.437 447 A N -0.568 122.217 122.820 -0.059 0.000 2.067 447 A HA -0.039 4.281 4.320 -0.000 0.000 0.217 447 A C 2.283 179.831 177.584 -0.061 0.000 1.156 447 A CA 0.848 52.853 52.037 -0.053 0.000 0.683 447 A CB -0.372 18.602 19.000 -0.045 0.000 0.808 447 A HN 0.185 nan 8.150 nan 0.000 0.455 448 V N 0.030 119.903 119.914 -0.069 0.000 2.323 448 V HA -0.291 3.829 4.120 -0.000 0.000 0.244 448 V C 2.593 178.638 176.094 -0.081 0.000 1.041 448 V CA 2.189 64.445 62.300 -0.075 0.000 1.025 448 V CB -0.933 30.843 31.823 -0.080 0.000 0.656 448 V HN 0.651 nan 8.190 nan 0.000 0.451 449 Q N -0.223 119.534 119.800 -0.073 0.000 2.084 449 Q HA -0.234 4.106 4.340 -0.000 0.000 0.202 449 Q C 2.019 177.974 176.000 -0.076 0.000 0.978 449 Q CA 1.823 57.591 55.803 -0.059 0.000 0.844 449 Q CB -0.317 28.405 28.738 -0.028 0.000 0.898 449 Q HN 0.584 nan 8.270 nan 0.000 0.426 450 D N 0.830 121.188 120.400 -0.069 0.000 2.092 450 D HA -0.161 4.479 4.640 -0.000 0.000 0.193 450 D C 1.789 178.030 176.300 -0.098 0.000 0.994 450 D CA 1.638 55.592 54.000 -0.076 0.000 0.828 450 D CB -0.303 40.461 40.800 -0.059 0.000 0.963 450 D HN 0.304 nan 8.370 nan 0.000 0.450 451 A N 0.032 122.798 122.820 -0.090 0.000 2.067 451 A HA -0.071 4.249 4.320 -0.000 0.000 0.219 451 A C 2.273 179.783 177.584 -0.124 0.000 1.158 451 A CA 0.699 52.680 52.037 -0.092 0.000 0.661 451 A CB -0.515 18.440 19.000 -0.074 0.000 0.801 451 A HN 0.229 nan 8.150 nan 0.000 0.452 452 I N -0.879 119.599 120.570 -0.154 0.000 2.480 452 I HA -0.133 4.037 4.170 -0.000 0.000 0.251 452 I C 2.886 178.830 176.117 -0.288 0.000 1.124 452 I CA 0.818 61.991 61.300 -0.211 0.000 1.444 452 I CB -0.301 37.572 38.000 -0.211 0.000 1.098 452 I HN 0.335 nan 8.210 nan 0.000 0.428 453 A N 0.659 123.292 122.820 -0.311 0.000 1.898 453 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 453 A C 2.422 179.835 177.584 -0.284 0.000 1.181 453 A CA 1.426 53.198 52.037 -0.442 0.000 0.620 453 A CB -0.865 17.934 19.000 -0.335 0.000 0.819 453 A HN 0.205 nan 8.150 nan 0.000 0.442 454 V N 0.089 119.896 119.914 -0.178 0.000 2.343 454 V HA -0.223 3.897 4.120 -0.000 0.000 0.247 454 V C 2.691 178.731 176.094 -0.091 0.000 1.051 454 V CA 2.326 64.558 62.300 -0.113 0.000 1.036 454 V CB -0.757 31.019 31.823 -0.079 0.000 0.654 454 V HN 0.602 nan 8.190 nan 0.000 0.451 455 R N 0.245 120.681 120.500 -0.106 0.000 2.120 455 R HA -0.073 4.267 4.340 -0.000 0.000 0.234 455 R C 1.930 178.195 176.300 -0.059 0.000 1.123 455 R CA 1.585 57.641 56.100 -0.074 0.000 0.975 455 R CB -0.762 29.479 30.300 -0.097 0.000 0.866 455 R HN 0.509 nan 8.270 nan 0.000 0.446 456 L N -0.705 120.438 121.223 -0.134 0.000 2.240 456 L HA 0.051 4.391 4.340 -0.000 0.000 0.211 456 L C 2.285 179.161 176.870 0.011 0.000 1.106 456 L CA 0.973 55.750 54.840 -0.105 0.000 0.793 456 L CB -0.516 41.388 42.059 -0.258 0.000 0.927 456 L HN 0.258 nan 8.230 nan 0.000 0.446 457 A N 0.237 123.047 122.820 -0.017 0.000 1.930 457 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 457 A C 2.118 179.800 177.584 0.163 0.000 1.175 457 A CA 1.283 53.358 52.037 0.063 0.000 0.627 457 A CB -0.287 18.688 19.000 -0.042 0.000 0.815 457 A HN 0.425 nan 8.150 nan 0.000 0.443 458 E N -1.461 118.799 120.200 0.100 0.000 2.058 458 E HA -0.245 4.104 4.350 -0.000 0.000 0.194 458 E C 1.860 178.528 176.600 0.114 0.000 0.997 458 E CA 1.540 57.998 56.400 0.095 0.000 0.801 458 E CB -0.391 29.345 29.700 0.060 0.000 0.746 458 E HN 0.759 nan 8.360 nan 0.000 0.450 459 Y N 1.019 121.327 120.300 0.013 0.000 2.256 459 Y HA -0.221 4.329 4.550 -0.000 0.000 0.288 459 Y C 2.050 177.965 175.900 0.026 0.000 1.155 459 Y CA 1.393 59.502 58.100 0.014 0.000 1.203 459 Y CB -0.032 38.433 38.460 0.009 0.000 0.980 459 Y HN -0.002 nan 8.280 nan 0.000 0.530 460 A N -0.582 122.354 122.820 0.193 0.000 2.278 460 A HA 0.368 4.688 4.320 -0.000 0.000 0.212 460 A C 1.525 179.095 177.584 -0.023 0.000 1.213 460 A CA 0.647 52.764 52.037 0.134 0.000 0.840 460 A CB -1.210 17.944 19.000 0.256 0.000 0.866 460 A HN 0.839 nan 8.150 nan 0.000 0.489 461 G N -0.131 108.637 108.800 -0.052 0.000 2.248 461 G HA2 -0.177 3.782 3.960 -0.000 0.000 0.263 461 G HA3 -0.177 3.782 3.960 -0.000 0.000 0.263 461 G C -0.198 174.542 174.900 -0.267 0.000 1.082 461 G CA 0.144 45.151 45.100 -0.155 0.000 0.863 461 G HN 0.697 nan 8.290 nan 0.000 0.495 462 H N -0.915 118.153 119.070 -0.003 0.000 2.651 462 H HA 0.692 5.248 4.556 -0.000 0.000 0.353 462 H C 0.022 175.347 175.328 -0.005 0.000 1.178 462 H CA -0.356 55.691 56.048 -0.001 0.000 1.224 462 H CB 2.056 31.821 29.762 0.004 0.000 1.702 462 H HN 0.334 nan 8.280 nan 0.000 0.550 463 Q N -0.136 119.739 119.800 0.125 0.000 2.387 463 Q HA 0.525 4.865 4.340 -0.000 0.000 0.273 463 Q C -1.005 175.026 176.000 0.053 0.000 1.089 463 Q CA -0.885 54.954 55.803 0.060 0.000 0.824 463 Q CB 2.208 30.966 28.738 0.033 0.000 1.367 463 Q HN 0.802 nan 8.270 nan 0.000 0.443 464 A N 3.765 126.603 122.820 0.029 0.000 2.505 464 A HA 0.366 4.686 4.320 -0.000 0.000 0.271 464 A C -2.003 175.592 177.584 0.017 0.000 1.112 464 A CA -0.675 51.372 52.037 0.018 0.000 0.781 464 A CB -0.837 18.168 19.000 0.008 0.000 1.059 464 A HN 0.531 nan 8.150 nan 0.000 0.508 465 P HA 0.850 nan 4.420 nan 0.000 0.306 465 P C -0.107 177.200 177.300 0.011 0.000 1.309 465 P CA 0.402 63.513 63.100 0.018 0.000 0.759 465 P CB 0.872 32.585 31.700 0.021 0.000 1.314 466 E N 0.000 120.207 120.200 0.011 0.000 2.725 466 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 466 E CA 0.000 nan 56.400 nan 0.000 0.976 466 E CB 0.000 nan 29.700 nan 0.000 0.812 466 E HN 0.000 nan 8.360 nan 0.000 0.440