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 2o15_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKTWPAPTAP TPVRATVTVP GSKSQTNRAL VLAALAAAQG RGASTISGAL DATA SEQUENCE RSRDTELMLD ALQTLGLRVD GVGSELTVSG RIEPGPGARV DCGLAGTVLR DATA SEQUENCE FVPPLAALGS VPVTFDGDQQ ARGRPIAPLL DALRELGVAV DGTGLPFRVR DATA SEQUENCE GNGSLAGGTV AIDASASSQF VSGLLLSAAS FTDGLTVQHT GSSLPSAPHI DATA SEQUENCE AMTAAMLRQA GVDIDDSTPN RWQVRPGPVA ARRWDIEPDL TNAVAFLSAA DATA SEQUENCE VVSGGTVRIT GWPRVSVQPA DHILAILRQL NAVVIHADSS LEVRGPTGYD DATA SEQUENCE GFDVDLRAVG ELTPSVAALA ALASPGSVSR LSGIAHLRGH ETDRLAALST DATA SEQUENCE EINRLGGTCR ETPDGLVITA TPLRPGIWRA YADHRMAMAG AIIGLRVAGV DATA SEQUENCE EVDDIAATTK TLPEFPRLWA EMVG 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.322 176.300 0.036 0.000 1.140 1 M CA 0.000 55.315 55.300 0.024 0.000 0.988 1 M CB 0.000 32.614 32.600 0.024 0.000 1.302 2 K N 1.878 122.306 120.400 0.048 0.000 2.276 2 K HA 0.377 4.695 4.320 -0.003 0.000 0.259 2 K C -0.267 176.384 176.600 0.086 0.000 1.001 2 K CA 0.490 56.813 56.287 0.060 0.000 0.927 2 K CB 0.836 33.375 32.500 0.064 0.000 0.969 2 K HN 0.771 nan 8.250 nan 0.000 0.490 3 T N -0.366 114.243 114.554 0.092 0.000 2.816 3 T HA 0.189 4.537 4.350 -0.003 0.000 0.282 3 T C -0.687 174.139 174.700 0.210 0.000 0.993 3 T CA -0.727 61.455 62.100 0.136 0.000 0.994 3 T CB 0.527 69.459 68.868 0.105 0.000 1.025 3 T HN 0.683 nan 8.240 nan 0.000 0.529 4 W N 2.765 124.088 121.300 0.039 0.000 2.417 4 W HA 0.521 5.179 4.660 -0.003 0.000 0.315 4 W C -2.802 173.744 176.519 0.045 0.000 1.045 4 W CA -2.927 54.445 57.345 0.044 0.000 1.221 4 W CB 1.211 30.701 29.460 0.050 0.000 1.309 4 W HN 0.484 nan 8.180 nan 0.000 0.453 5 P HA 0.177 nan 4.420 nan 0.000 0.276 5 P C -0.581 176.165 177.300 -0.924 0.000 1.264 5 P CA 0.049 62.871 63.100 -0.464 0.000 0.769 5 P CB 0.789 32.291 31.700 -0.330 0.000 0.840 6 A N 6.976 129.437 122.820 -0.597 0.000 2.410 6 A HA 0.379 4.697 4.320 -0.003 0.000 0.292 6 A C -1.858 175.552 177.584 -0.290 0.000 1.232 6 A CA -1.346 50.339 52.037 -0.586 0.000 0.893 6 A CB -0.805 18.110 19.000 -0.142 0.000 1.131 6 A HN 0.379 nan 8.150 nan 0.000 0.530 7 P HA 0.106 nan 4.420 nan 0.000 0.267 7 P C 0.287 177.594 177.300 0.012 0.000 1.200 7 P CA 0.305 63.355 63.100 -0.083 0.000 0.772 7 P CB 0.506 32.194 31.700 -0.020 0.000 0.855 8 T N -1.514 113.033 114.554 -0.012 0.000 2.922 8 T HA 0.621 4.969 4.350 -0.003 0.000 0.285 8 T C 0.072 174.770 174.700 -0.003 0.000 1.005 8 T CA -0.891 61.213 62.100 0.006 0.000 1.061 8 T CB 1.065 69.929 68.868 -0.006 0.000 1.007 8 T HN 0.423 nan 8.240 nan 0.000 0.502 9 A N 3.307 126.129 122.820 0.003 0.000 2.802 9 A HA 0.569 4.887 4.320 -0.003 0.000 0.344 9 A C -1.633 175.949 177.584 -0.003 0.000 1.215 9 A CA -1.536 50.494 52.037 -0.012 0.000 0.821 9 A CB 0.459 19.446 19.000 -0.021 0.000 1.099 9 A HN 0.724 nan 8.150 nan 0.000 0.479 10 P HA 0.018 nan 4.420 nan 0.000 0.241 10 P C 0.553 177.851 177.300 -0.004 0.000 1.191 10 P CA 1.078 64.177 63.100 -0.003 0.000 0.771 10 P CB 0.156 31.852 31.700 -0.006 0.000 0.929 11 T N -4.062 110.487 114.554 -0.009 0.000 2.906 11 T HA 0.587 4.935 4.350 -0.003 0.000 0.295 11 T C -3.210 171.482 174.700 -0.014 0.000 1.075 11 T CA -2.671 59.423 62.100 -0.010 0.000 1.005 11 T CB 1.328 70.188 68.868 -0.014 0.000 1.136 11 T HN -0.323 nan 8.240 nan 0.000 0.498 12 P HA 0.195 nan 4.420 nan 0.000 0.263 12 P C -0.298 176.983 177.300 -0.031 0.000 1.195 12 P CA -0.348 62.742 63.100 -0.016 0.000 0.762 12 P CB 0.188 31.880 31.700 -0.013 0.000 0.799 13 V N 5.268 125.156 119.914 -0.043 0.000 2.529 13 V HA 0.033 4.151 4.120 -0.003 0.000 0.292 13 V C 1.035 177.094 176.094 -0.058 0.000 1.028 13 V CA 0.423 62.684 62.300 -0.066 0.000 1.074 13 V CB -0.263 31.503 31.823 -0.095 0.000 0.958 13 V HN 0.514 nan 8.190 nan 0.000 0.481 14 R N 4.316 124.781 120.500 -0.059 0.000 2.439 14 R HA 0.765 5.103 4.340 -0.003 0.000 0.310 14 R C -0.789 175.477 176.300 -0.057 0.000 0.955 14 R CA -0.055 56.015 56.100 -0.051 0.000 0.853 14 R CB 1.588 31.864 30.300 -0.040 0.000 1.171 14 R HN 0.849 nan 8.270 nan 0.000 0.449 15 A N 2.287 125.074 122.820 -0.055 0.000 2.567 15 A HA 0.495 4.813 4.320 -0.003 0.000 0.291 15 A C -1.416 176.136 177.584 -0.055 0.000 1.048 15 A CA -0.749 51.252 52.037 -0.059 0.000 0.661 15 A CB 2.013 20.966 19.000 -0.078 0.000 1.288 15 A HN 0.554 nan 8.150 nan 0.000 0.424 16 T N 1.175 115.694 114.554 -0.058 0.000 2.809 16 T HA 0.588 4.936 4.350 -0.003 0.000 0.284 16 T C -0.819 173.830 174.700 -0.086 0.000 0.992 16 T CA -0.296 61.770 62.100 -0.057 0.000 0.957 16 T CB 1.089 69.933 68.868 -0.039 0.000 0.942 16 T HN 0.787 nan 8.240 nan 0.000 0.439 17 V N 3.311 123.158 119.914 -0.111 0.000 2.555 17 V HA 0.539 4.657 4.120 -0.003 0.000 0.302 17 V C 0.222 176.224 176.094 -0.154 0.000 1.038 17 V CA -0.781 61.396 62.300 -0.205 0.000 0.887 17 V CB 2.141 33.729 31.823 -0.392 0.000 0.991 17 V HN 0.891 nan 8.190 nan 0.000 0.434 18 T N 4.071 118.529 114.554 -0.160 0.000 2.770 18 T HA 0.449 4.797 4.350 -0.003 0.000 0.297 18 T C -0.266 174.359 174.700 -0.126 0.000 0.997 18 T CA -0.254 61.788 62.100 -0.096 0.000 0.949 18 T CB 1.174 70.010 68.868 -0.053 0.000 0.941 18 T HN 0.717 nan 8.240 nan 0.000 0.457 19 V N 3.839 123.706 119.914 -0.079 0.000 2.539 19 V HA 0.728 4.846 4.120 -0.003 0.000 0.292 19 V C -2.308 173.797 176.094 0.018 0.000 1.045 19 V CA -2.281 60.005 62.300 -0.023 0.000 0.945 19 V CB 0.896 32.756 31.823 0.063 0.000 0.993 19 V HN 0.535 nan 8.190 nan 0.000 0.464 20 P HA 0.280 nan 4.420 nan 0.000 0.275 20 P C 0.436 177.750 177.300 0.024 0.000 1.270 20 P CA 0.184 63.303 63.100 0.032 0.000 0.791 20 P CB 0.263 31.990 31.700 0.044 0.000 1.089 21 G N -0.336 108.470 108.800 0.011 0.000 2.667 21 G HA2 0.252 4.210 3.960 -0.003 0.000 0.250 21 G HA3 0.252 4.210 3.960 -0.003 0.000 0.250 21 G C -0.095 174.799 174.900 -0.010 0.000 1.212 21 G CA -0.272 44.827 45.100 -0.003 0.000 0.874 21 G HN 0.550 nan 8.290 nan 0.000 0.561 22 S N -0.919 114.766 115.700 -0.025 0.000 2.531 22 S HA 0.075 4.543 4.470 -0.003 0.000 0.279 22 S C 1.463 176.039 174.600 -0.040 0.000 1.305 22 S CA -0.151 58.027 58.200 -0.036 0.000 1.058 22 S CB 1.041 64.210 63.200 -0.051 0.000 0.899 22 S HN 0.704 nan 8.310 nan 0.000 0.493 23 K N 3.508 123.881 120.400 -0.044 0.000 2.062 23 K HA -0.038 4.280 4.320 -0.003 0.000 0.205 23 K C 2.037 178.598 176.600 -0.065 0.000 1.051 23 K CA 1.368 57.619 56.287 -0.060 0.000 0.941 23 K CB -0.471 31.982 32.500 -0.079 0.000 0.719 23 K HN 0.632 nan 8.250 nan 0.000 0.440 24 S N 1.141 116.800 115.700 -0.068 0.000 2.359 24 S HA -0.217 4.251 4.470 -0.003 0.000 0.224 24 S C 1.938 176.517 174.600 -0.035 0.000 1.035 24 S CA 1.527 59.692 58.200 -0.058 0.000 1.018 24 S CB -0.238 62.905 63.200 -0.095 0.000 0.876 24 S HN 0.437 nan 8.310 nan 0.000 0.448 25 Q N 0.157 119.926 119.800 -0.053 0.000 2.083 25 Q HA -0.107 4.230 4.340 -0.003 0.000 0.198 25 Q C 2.060 177.998 176.000 -0.104 0.000 0.969 25 Q CA 1.506 57.269 55.803 -0.066 0.000 0.838 25 Q CB -0.265 28.449 28.738 -0.040 0.000 0.900 25 Q HN 0.478 nan 8.270 nan 0.000 0.436 26 T N 1.460 115.968 114.554 -0.077 0.000 2.652 26 T HA -0.141 4.207 4.350 -0.003 0.000 0.267 26 T C 1.523 176.158 174.700 -0.109 0.000 1.039 26 T CA 1.569 63.616 62.100 -0.089 0.000 1.153 26 T CB -0.322 68.512 68.868 -0.057 0.000 0.863 26 T HN 0.322 nan 8.240 nan 0.000 0.428 27 N N 0.585 119.249 118.700 -0.060 0.000 2.244 27 N HA 0.017 4.755 4.740 -0.003 0.000 0.183 27 N C 2.008 177.519 175.510 0.003 0.000 1.016 27 N CA 0.744 53.788 53.050 -0.011 0.000 0.866 27 N CB -0.219 38.282 38.487 0.024 0.000 0.980 27 N HN 0.347 nan 8.380 nan 0.000 0.430 28 R N 0.518 120.987 120.500 -0.051 0.000 2.075 28 R HA 0.066 4.403 4.340 -0.003 0.000 0.232 28 R C 2.175 178.241 176.300 -0.391 0.000 1.126 28 R CA 1.296 57.290 56.100 -0.177 0.000 0.963 28 R CB -0.288 29.894 30.300 -0.198 0.000 0.858 28 R HN 0.168 nan 8.270 nan 0.000 0.435 29 A N 0.852 123.345 122.820 -0.545 0.000 1.902 29 A HA -0.152 4.166 4.320 -0.003 0.000 0.217 29 A C 2.120 179.345 177.584 -0.598 0.000 1.181 29 A CA 1.235 52.684 52.037 -0.981 0.000 0.623 29 A CB -0.562 17.941 19.000 -0.829 0.000 0.818 29 A HN 0.202 nan 8.150 nan 0.000 0.443 30 L N -0.698 120.347 121.223 -0.297 0.000 2.046 30 L HA -0.160 4.178 4.340 -0.003 0.000 0.208 30 L C 2.539 179.341 176.870 -0.112 0.000 1.077 30 L CA 1.109 55.857 54.840 -0.154 0.000 0.747 30 L CB -0.467 41.548 42.059 -0.074 0.000 0.896 30 L HN 0.247 nan 8.230 nan 0.000 0.432 31 V N -0.055 119.797 119.914 -0.102 0.000 2.407 31 V HA -0.275 3.842 4.120 -0.003 0.000 0.248 31 V C 2.328 178.374 176.094 -0.081 0.000 1.055 31 V CA 1.554 63.820 62.300 -0.056 0.000 1.049 31 V CB -0.319 31.476 31.823 -0.046 0.000 0.662 31 V HN 0.343 nan 8.190 nan 0.000 0.455 32 L N -0.079 121.046 121.223 -0.164 0.000 2.056 32 L HA -0.104 4.234 4.340 -0.003 0.000 0.207 32 L C 2.720 179.613 176.870 0.039 0.000 1.078 32 L CA 1.488 56.278 54.840 -0.083 0.000 0.749 32 L CB -0.785 41.183 42.059 -0.152 0.000 0.901 32 L HN 0.355 nan 8.230 nan 0.000 0.433 33 A N 0.071 122.895 122.820 0.007 0.000 1.930 33 A HA -0.129 4.188 4.320 -0.003 0.000 0.217 33 A C 2.535 180.162 177.584 0.071 0.000 1.175 33 A CA 1.582 53.692 52.037 0.122 0.000 0.627 33 A CB -0.579 18.486 19.000 0.108 0.000 0.815 33 A HN 0.394 nan 8.150 nan 0.000 0.443 34 A N -0.138 122.698 122.820 0.027 0.000 1.858 34 A HA -0.082 4.236 4.320 -0.003 0.000 0.216 34 A C 2.183 179.794 177.584 0.045 0.000 1.190 34 A CA 1.555 53.612 52.037 0.034 0.000 0.617 34 A CB -0.694 18.322 19.000 0.027 0.000 0.827 34 A HN 0.459 nan 8.150 nan 0.000 0.443 35 L N -0.737 120.512 121.223 0.042 0.000 2.012 35 L HA -0.246 4.092 4.340 -0.003 0.000 0.210 35 L C 3.138 180.041 176.870 0.055 0.000 1.073 35 L CA 1.223 56.091 54.840 0.047 0.000 0.748 35 L CB -0.513 41.565 42.059 0.031 0.000 0.891 35 L HN 0.467 nan 8.230 nan 0.000 0.431 36 A N -0.188 122.675 122.820 0.072 0.000 1.865 36 A HA -0.262 4.056 4.320 -0.003 0.000 0.217 36 A C 2.510 180.130 177.584 0.060 0.000 1.191 36 A CA 2.068 54.151 52.037 0.076 0.000 0.623 36 A CB -0.977 18.090 19.000 0.111 0.000 0.826 36 A HN 0.441 nan 8.150 nan 0.000 0.444 37 A N -0.153 122.704 122.820 0.061 0.000 1.859 37 A HA 0.048 4.366 4.320 -0.003 0.000 0.217 37 A C 2.579 180.188 177.584 0.042 0.000 1.198 37 A CA 2.791 54.858 52.037 0.048 0.000 0.629 37 A CB -1.310 17.718 19.000 0.046 0.000 0.830 37 A HN 1.267 nan 8.150 nan 0.000 0.446 38 A N -1.038 121.808 122.820 0.044 0.000 1.940 38 A HA -0.248 4.070 4.320 -0.003 0.000 0.219 38 A C 2.090 179.699 177.584 0.040 0.000 1.176 38 A CA 1.741 53.803 52.037 0.042 0.000 0.631 38 A CB -0.654 18.375 19.000 0.048 0.000 0.814 38 A HN 0.685 nan 8.150 nan 0.000 0.446 39 Q N -1.826 118.000 119.800 0.043 0.000 2.234 39 Q HA 0.035 4.373 4.340 -0.003 0.000 0.206 39 Q C 1.092 177.111 176.000 0.032 0.000 0.980 39 Q CA 0.794 56.621 55.803 0.039 0.000 0.869 39 Q CB -0.214 28.548 28.738 0.040 0.000 0.912 39 Q HN 1.027 nan 8.270 nan 0.000 0.436 40 G N 0.847 109.666 108.800 0.032 0.000 2.215 40 G HA2 -0.199 3.759 3.960 -0.003 0.000 0.198 40 G HA3 -0.199 3.759 3.960 -0.003 0.000 0.198 40 G C 0.222 175.137 174.900 0.024 0.000 1.047 40 G CA -0.177 44.938 45.100 0.026 0.000 0.747 40 G HN 0.211 nan 8.290 nan 0.000 0.495 41 R N 0.195 120.713 120.500 0.029 0.000 2.427 41 R HA 0.459 4.797 4.340 -0.003 0.000 0.262 41 R C 1.332 177.647 176.300 0.024 0.000 0.943 41 R CA 0.493 56.608 56.100 0.025 0.000 1.081 41 R CB 0.507 30.824 30.300 0.027 0.000 1.166 41 R HN 1.656 nan 8.270 nan 0.000 0.534 42 G N 1.049 109.866 108.800 0.027 0.000 2.660 42 G HA2 -0.161 3.797 3.960 -0.003 0.000 0.247 42 G HA3 -0.161 3.797 3.960 -0.003 0.000 0.247 42 G C -0.626 174.295 174.900 0.036 0.000 1.328 42 G CA -0.528 44.588 45.100 0.026 0.000 0.884 42 G HN 0.370 nan 8.290 nan 0.000 0.531 43 A N -0.307 122.533 122.820 0.034 0.000 2.371 43 A HA 0.765 5.083 4.320 -0.003 0.000 0.257 43 A C 0.750 178.368 177.584 0.056 0.000 1.089 43 A CA 1.166 53.229 52.037 0.044 0.000 0.794 43 A CB 0.662 19.683 19.000 0.034 0.000 1.029 43 A HN 1.840 nan 8.150 nan 0.000 0.488 44 S N -0.684 115.068 115.700 0.086 0.000 2.607 44 S HA 0.803 5.271 4.470 -0.003 0.000 0.303 44 S C 0.048 174.725 174.600 0.129 0.000 1.086 44 S CA -0.080 58.196 58.200 0.128 0.000 0.995 44 S CB 1.763 65.107 63.200 0.240 0.000 1.084 44 S HN 1.153 nan 8.310 nan 0.000 0.507 45 T N -0.685 113.957 114.554 0.146 0.000 2.907 45 T HA 0.776 5.124 4.350 -0.003 0.000 0.292 45 T C -0.880 173.945 174.700 0.207 0.000 1.043 45 T CA -0.717 61.460 62.100 0.128 0.000 1.003 45 T CB 0.585 69.497 68.868 0.073 0.000 1.084 45 T HN 0.441 nan 8.240 nan 0.000 0.483 46 I N 2.347 123.009 120.570 0.153 0.000 2.410 46 I HA 0.410 4.578 4.170 -0.003 0.000 0.286 46 I C 0.103 176.279 176.117 0.098 0.000 1.009 46 I CA -0.864 60.532 61.300 0.159 0.000 1.111 46 I CB 1.940 39.996 38.000 0.094 0.000 1.262 46 I HN 0.734 nan 8.210 nan 0.000 0.443 47 S N 4.306 120.066 115.700 0.100 0.000 2.480 47 S HA 0.606 5.074 4.470 -0.003 0.000 0.286 47 S C 0.929 175.560 174.600 0.052 0.000 1.180 47 S CA 0.457 58.695 58.200 0.062 0.000 1.075 47 S CB 1.177 64.409 63.200 0.053 0.000 0.996 47 S HN 1.090 nan 8.310 nan 0.000 0.487 48 G N 2.712 111.533 108.800 0.034 0.000 2.153 48 G HA2 -0.150 3.808 3.960 -0.003 0.000 0.252 48 G HA3 -0.150 3.808 3.960 -0.003 0.000 0.252 48 G C 0.424 175.336 174.900 0.021 0.000 0.994 48 G CA 0.156 45.271 45.100 0.025 0.000 0.698 48 G HN 1.451 nan 8.290 nan 0.000 0.521 49 A N -0.670 122.163 122.820 0.023 0.000 2.507 49 A HA 0.525 4.843 4.320 -0.003 0.000 0.235 49 A C 0.721 178.305 177.584 0.001 0.000 1.070 49 A CA 0.580 52.623 52.037 0.009 0.000 0.768 49 A CB 0.401 19.405 19.000 0.007 0.000 1.011 49 A HN 1.729 nan 8.150 nan 0.000 0.502 50 L N 2.007 123.225 121.223 -0.010 0.000 2.367 50 L HA 0.410 4.748 4.340 -0.003 0.000 0.275 50 L C -0.013 176.849 176.870 -0.012 0.000 1.129 50 L CA 0.173 55.007 54.840 -0.010 0.000 0.839 50 L CB 0.428 42.476 42.059 -0.018 0.000 1.133 50 L HN 0.580 nan 8.230 nan 0.000 0.453 51 R N 4.231 124.728 120.500 -0.005 0.000 2.239 51 R HA 0.563 4.900 4.340 -0.003 0.000 0.332 51 R C -0.660 175.633 176.300 -0.011 0.000 0.988 51 R CA -0.186 55.910 56.100 -0.008 0.000 0.859 51 R CB 0.609 30.909 30.300 -0.001 0.000 1.148 51 R HN 0.885 nan 8.270 nan 0.000 0.482 52 S N 0.477 116.163 115.700 -0.025 0.000 2.643 52 S HA 0.398 4.866 4.470 -0.003 0.000 0.270 52 S C 0.573 175.144 174.600 -0.047 0.000 1.166 52 S CA -0.930 57.249 58.200 -0.035 0.000 0.815 52 S CB 2.049 65.219 63.200 -0.050 0.000 1.139 52 S HN 0.344 nan 8.310 nan 0.000 0.472 53 R N 0.989 121.455 120.500 -0.057 0.000 2.105 53 R HA -0.027 4.311 4.340 -0.003 0.000 0.239 53 R C 1.769 178.027 176.300 -0.070 0.000 1.135 53 R CA 2.173 58.238 56.100 -0.058 0.000 0.967 53 R CB -0.756 29.506 30.300 -0.063 0.000 0.861 53 R HN 0.809 nan 8.270 nan 0.000 0.442 54 D N -1.334 119.008 120.400 -0.096 0.000 2.117 54 D HA -0.130 4.508 4.640 -0.003 0.000 0.198 54 D C 1.376 177.628 176.300 -0.079 0.000 0.982 54 D CA 1.932 55.869 54.000 -0.105 0.000 0.828 54 D CB 0.222 40.931 40.800 -0.151 0.000 0.967 54 D HN 0.426 nan 8.370 nan 0.000 0.464 55 T N -1.553 112.961 114.554 -0.068 0.000 2.896 55 T HA -0.109 4.239 4.350 -0.003 0.000 0.263 55 T C 1.782 176.459 174.700 -0.038 0.000 1.050 55 T CA 0.909 62.978 62.100 -0.051 0.000 1.140 55 T CB -0.121 68.721 68.868 -0.044 0.000 0.877 55 T HN -0.092 nan 8.240 nan 0.000 0.457 56 E N 1.540 121.718 120.200 -0.037 0.000 2.097 56 E HA -0.083 4.265 4.350 -0.003 0.000 0.196 56 E C 1.973 178.556 176.600 -0.029 0.000 1.000 56 E CA 1.173 57.555 56.400 -0.029 0.000 0.804 56 E CB -0.806 28.877 29.700 -0.028 0.000 0.740 56 E HN 0.599 nan 8.360 nan 0.000 0.454 57 L N -0.676 120.525 121.223 -0.035 0.000 2.056 57 L HA -0.165 4.173 4.340 -0.003 0.000 0.207 57 L C 2.473 179.330 176.870 -0.022 0.000 1.078 57 L CA 1.354 56.175 54.840 -0.032 0.000 0.749 57 L CB -0.389 41.647 42.059 -0.038 0.000 0.901 57 L HN 0.293 nan 8.230 nan 0.000 0.433 58 M N -0.069 119.517 119.600 -0.022 0.000 2.077 58 M HA -0.190 4.288 4.480 -0.003 0.000 0.261 58 M C 2.088 178.387 176.300 -0.002 0.000 1.070 58 M CA 1.636 56.933 55.300 -0.005 0.000 1.125 58 M CB -0.516 32.078 32.600 -0.010 0.000 1.339 58 M HN 0.100 nan 8.290 nan 0.000 0.409 59 L N 0.162 121.377 121.223 -0.012 0.000 2.017 59 L HA -0.432 3.906 4.340 -0.003 0.000 0.234 59 L C 1.945 178.808 176.870 -0.011 0.000 1.097 59 L CA 2.422 57.256 54.840 -0.011 0.000 0.816 59 L CB -0.874 41.177 42.059 -0.014 0.000 0.914 59 L HN 0.376 nan 8.230 nan 0.000 0.444 60 D N -0.385 120.004 120.400 -0.018 0.000 2.087 60 D HA -0.215 4.423 4.640 -0.003 0.000 0.192 60 D C 2.135 178.418 176.300 -0.029 0.000 0.993 60 D CA 1.705 55.690 54.000 -0.025 0.000 0.828 60 D CB -0.422 40.359 40.800 -0.031 0.000 0.968 60 D HN 0.568 nan 8.370 nan 0.000 0.448 61 A N 0.661 123.466 122.820 -0.025 0.000 1.997 61 A HA -0.189 4.129 4.320 -0.003 0.000 0.221 61 A C 2.402 179.980 177.584 -0.010 0.000 1.172 61 A CA 1.162 53.184 52.037 -0.025 0.000 0.645 61 A CB -0.743 18.269 19.000 0.020 0.000 0.813 61 A HN 0.258 nan 8.150 nan 0.000 0.454 62 L N -1.392 119.834 121.223 0.004 0.000 2.131 62 L HA -0.145 4.193 4.340 -0.003 0.000 0.206 62 L C 2.816 179.687 176.870 0.001 0.000 1.087 62 L CA 1.039 55.887 54.840 0.014 0.000 0.767 62 L CB -0.488 41.581 42.059 0.016 0.000 0.917 62 L HN 0.506 nan 8.230 nan 0.000 0.441 63 Q N -0.770 119.025 119.800 -0.009 0.000 2.172 63 Q HA -0.138 4.200 4.340 -0.003 0.000 0.200 63 Q C 2.053 178.039 176.000 -0.023 0.000 0.964 63 Q CA 1.640 57.435 55.803 -0.013 0.000 0.855 63 Q CB -0.088 28.641 28.738 -0.014 0.000 0.918 63 Q HN 0.447 nan 8.270 nan 0.000 0.444 64 T N 1.565 116.095 114.554 -0.039 0.000 2.867 64 T HA -0.048 4.300 4.350 -0.003 0.000 0.268 64 T C 1.790 176.458 174.700 -0.054 0.000 1.057 64 T CA 0.684 62.748 62.100 -0.061 0.000 1.136 64 T CB -0.039 68.769 68.868 -0.100 0.000 0.874 64 T HN 0.200 nan 8.240 nan 0.000 0.466 65 L N -0.069 121.134 121.223 -0.034 0.000 2.376 65 L HA 0.148 4.486 4.340 -0.003 0.000 0.219 65 L C 2.098 178.967 176.870 -0.002 0.000 1.133 65 L CA 0.937 55.770 54.840 -0.013 0.000 0.816 65 L CB -0.222 41.850 42.059 0.021 0.000 0.933 65 L HN 0.559 nan 8.230 nan 0.000 0.449 66 G N -0.931 107.867 108.800 -0.004 0.000 2.367 66 G HA2 -0.159 3.799 3.960 -0.003 0.000 0.181 66 G HA3 -0.159 3.799 3.960 -0.003 0.000 0.181 66 G C 0.034 174.938 174.900 0.006 0.000 1.000 66 G CA -0.599 44.502 45.100 0.001 0.000 0.693 66 G HN 0.081 nan 8.290 nan 0.000 0.480 67 L N 0.803 122.032 121.223 0.010 0.000 2.456 67 L HA 0.672 5.010 4.340 -0.003 0.000 0.257 67 L C 0.991 177.866 176.870 0.009 0.000 1.162 67 L CA -0.687 54.161 54.840 0.013 0.000 0.808 67 L CB 0.806 42.877 42.059 0.019 0.000 1.136 67 L HN 0.228 nan 8.230 nan 0.000 0.466 68 R N 0.871 121.378 120.500 0.012 0.000 2.295 68 R HA 0.610 4.947 4.340 -0.003 0.000 0.324 68 R C -1.828 174.480 176.300 0.013 0.000 0.968 68 R CA -0.487 55.619 56.100 0.010 0.000 0.837 68 R CB 1.124 31.430 30.300 0.010 0.000 1.133 68 R HN 0.442 nan 8.270 nan 0.000 0.450 69 V N 5.093 125.012 119.914 0.009 0.000 2.378 69 V HA 0.372 4.490 4.120 -0.003 0.000 0.288 69 V C -0.632 175.467 176.094 0.008 0.000 1.016 69 V CA -0.770 61.536 62.300 0.010 0.000 0.840 69 V CB 1.495 33.321 31.823 0.005 0.000 0.994 69 V HN 0.823 nan 8.190 nan 0.000 0.431 70 D N 3.023 123.430 120.400 0.012 0.000 2.419 70 D HA 0.796 5.434 4.640 -0.003 0.000 0.234 70 D C 0.149 176.456 176.300 0.013 0.000 1.014 70 D CA -0.048 53.958 54.000 0.010 0.000 0.919 70 D CB 2.548 43.355 40.800 0.011 0.000 1.366 70 D HN 0.941 nan 8.370 nan 0.000 0.490 71 G N -0.810 107.996 108.800 0.010 0.000 2.634 71 G HA2 0.001 3.959 3.960 -0.003 0.000 0.568 71 G HA3 0.001 3.959 3.960 -0.003 0.000 0.568 71 G C -0.212 174.692 174.900 0.008 0.000 1.495 71 G CA -0.214 44.893 45.100 0.011 0.000 0.903 71 G HN 0.422 nan 8.290 nan 0.000 0.646 72 V N 2.182 122.101 119.914 0.008 0.000 3.621 72 V HA 0.633 4.751 4.120 -0.003 0.000 0.263 72 V C 1.381 177.480 176.094 0.007 0.000 1.272 72 V CA 2.579 64.883 62.300 0.006 0.000 1.080 72 V CB -0.115 31.712 31.823 0.006 0.000 0.816 72 V HN 1.636 nan 8.190 nan 0.000 0.451 73 G N 0.209 109.015 108.800 0.009 0.000 3.194 73 G HA2 0.250 4.208 3.960 -0.003 0.000 0.160 73 G HA3 0.250 4.208 3.960 -0.003 0.000 0.160 73 G C 0.915 175.822 174.900 0.011 0.000 1.267 73 G CA 0.594 45.700 45.100 0.010 0.000 0.962 73 G HN 0.498 nan 8.290 nan 0.000 0.612 74 S N -0.216 115.492 115.700 0.013 0.000 2.607 74 S HA 0.146 4.614 4.470 -0.003 0.000 0.224 74 S C 0.178 174.790 174.600 0.020 0.000 0.969 74 S CA 0.421 58.630 58.200 0.015 0.000 0.927 74 S CB 0.054 63.263 63.200 0.015 0.000 0.772 74 S HN 0.380 nan 8.310 nan 0.000 0.533 75 E N 1.772 121.985 120.200 0.021 0.000 2.149 75 E HA 0.399 4.747 4.350 -0.003 0.000 0.255 75 E C -0.930 175.686 176.600 0.027 0.000 0.888 75 E CA -0.202 56.214 56.400 0.027 0.000 0.742 75 E CB 1.436 31.151 29.700 0.025 0.000 1.164 75 E HN 0.407 nan 8.360 nan 0.000 0.422 76 L N 1.766 123.008 121.223 0.033 0.000 2.325 76 L HA 0.460 4.798 4.340 -0.003 0.000 0.279 76 L C 0.371 177.267 176.870 0.044 0.000 1.054 76 L CA -0.487 54.371 54.840 0.030 0.000 0.804 76 L CB 1.256 43.328 42.059 0.023 0.000 1.200 76 L HN 0.210 nan 8.230 nan 0.000 0.436 77 T N 2.029 116.606 114.554 0.037 0.000 2.807 77 T HA 0.521 4.869 4.350 -0.003 0.000 0.279 77 T C -0.292 174.432 174.700 0.040 0.000 0.993 77 T CA -0.444 61.682 62.100 0.043 0.000 0.970 77 T CB 2.030 70.918 68.868 0.034 0.000 0.950 77 T HN 0.207 nan 8.240 nan 0.000 0.441 78 V N 3.647 123.592 119.914 0.053 0.000 2.448 78 V HA 0.811 4.929 4.120 -0.003 0.000 0.295 78 V C -0.062 176.059 176.094 0.046 0.000 1.025 78 V CA -0.647 61.681 62.300 0.046 0.000 0.859 78 V CB 1.405 33.258 31.823 0.050 0.000 0.988 78 V HN 1.121 nan 8.190 nan 0.000 0.431 79 S N 2.460 118.181 115.700 0.035 0.000 2.625 79 S HA 1.011 5.479 4.470 -0.003 0.000 0.271 79 S C -0.148 174.467 174.600 0.026 0.000 1.161 79 S CA -0.050 58.169 58.200 0.032 0.000 0.820 79 S CB 1.989 65.205 63.200 0.027 0.000 1.137 79 S HN 2.085 nan 8.310 nan 0.000 0.470 80 G N 0.880 109.695 108.800 0.025 0.000 2.384 80 G HA2 0.342 4.300 3.960 -0.003 0.000 0.200 80 G HA3 0.342 4.300 3.960 -0.003 0.000 0.200 80 G C -0.811 174.104 174.900 0.024 0.000 1.205 80 G CA 0.289 45.402 45.100 0.021 0.000 1.116 80 G HN 1.712 nan 8.290 nan 0.000 0.547 81 R N -1.700 118.813 120.500 0.023 0.000 2.781 81 R HA 0.756 5.094 4.340 -0.003 0.000 0.268 81 R C -1.335 174.981 176.300 0.026 0.000 1.047 81 R CA -0.956 55.160 56.100 0.026 0.000 0.925 81 R CB 0.361 30.675 30.300 0.024 0.000 1.246 81 R HN 0.765 nan 8.270 nan 0.000 0.456 82 I N 1.534 122.123 120.570 0.031 0.000 2.278 82 I HA 0.234 4.402 4.170 -0.003 0.000 0.296 82 I C -0.570 175.562 176.117 0.024 0.000 1.121 82 I CA 0.425 61.744 61.300 0.032 0.000 1.267 82 I CB 0.800 38.828 38.000 0.046 0.000 1.447 82 I HN 0.579 nan 8.210 nan 0.000 0.509 83 E N 7.409 127.619 120.200 0.015 0.000 3.132 83 E HA 0.275 4.623 4.350 -0.003 0.000 0.241 83 E C -2.420 174.180 176.600 -0.000 0.000 1.196 83 E CA -1.697 54.709 56.400 0.009 0.000 0.869 83 E CB 0.955 30.660 29.700 0.008 0.000 1.387 83 E HN 0.255 nan 8.360 nan 0.000 0.393 84 P HA 0.136 nan 4.420 nan 0.000 0.275 84 P C 0.335 177.624 177.300 -0.019 0.000 1.228 84 P CA -0.225 62.864 63.100 -0.019 0.000 0.786 84 P CB 1.018 32.701 31.700 -0.027 0.000 0.927 85 G N 2.290 111.075 108.800 -0.026 0.000 2.562 85 G HA2 0.439 4.396 3.960 -0.003 0.000 0.275 85 G HA3 0.439 4.396 3.960 -0.003 0.000 0.275 85 G C -2.438 172.447 174.900 -0.026 0.000 1.196 85 G CA -1.397 43.690 45.100 -0.022 0.000 0.908 85 G HN 0.378 nan 8.290 nan 0.000 0.524 86 P HA 0.106 nan 4.420 nan 0.000 0.265 86 P C 0.893 178.175 177.300 -0.030 0.000 1.187 86 P CA 1.338 64.425 63.100 -0.021 0.000 0.766 86 P CB 0.768 32.459 31.700 -0.016 0.000 0.820 87 G N 1.253 110.033 108.800 -0.034 0.000 2.148 87 G HA2 -0.184 3.774 3.960 -0.003 0.000 0.254 87 G HA3 -0.184 3.774 3.960 -0.003 0.000 0.254 87 G C 0.460 175.320 174.900 -0.067 0.000 0.981 87 G CA 0.123 45.197 45.100 -0.045 0.000 0.670 87 G HN 0.900 nan 8.290 nan 0.000 0.528 88 A N -0.221 122.553 122.820 -0.077 0.000 2.483 88 A HA 0.626 4.944 4.320 -0.003 0.000 0.238 88 A C 0.809 178.292 177.584 -0.168 0.000 1.070 88 A CA 1.142 53.112 52.037 -0.111 0.000 0.770 88 A CB 0.281 19.216 19.000 -0.108 0.000 1.008 88 A HN 1.159 nan 8.150 nan 0.000 0.497 89 R N 2.428 122.808 120.500 -0.200 0.000 2.569 89 R HA 0.452 4.790 4.340 -0.003 0.000 0.293 89 R C -1.960 174.162 176.300 -0.296 0.000 1.186 89 R CA -0.454 55.491 56.100 -0.258 0.000 0.956 89 R CB 1.300 31.498 30.300 -0.170 0.000 1.196 89 R HN 0.506 nan 8.270 nan 0.000 0.444 90 V N 3.790 123.407 119.914 -0.495 0.000 2.455 90 V HA 0.057 4.175 4.120 -0.003 0.000 0.273 90 V C 0.162 176.099 176.094 -0.262 0.000 1.045 90 V CA -0.164 61.879 62.300 -0.429 0.000 0.976 90 V CB 1.140 32.547 31.823 -0.694 0.000 0.993 90 V HN 0.658 nan 8.190 nan 0.000 0.475 91 D N 3.777 124.091 120.400 -0.143 0.000 2.336 91 D HA 0.151 4.789 4.640 -0.003 0.000 0.249 91 D C 0.805 177.087 176.300 -0.031 0.000 1.213 91 D CA -0.199 53.754 54.000 -0.078 0.000 0.870 91 D CB 1.099 41.862 40.800 -0.062 0.000 1.076 91 D HN 0.568 nan 8.370 nan 0.000 0.483 92 C N 3.460 122.766 119.300 0.009 0.000 2.468 92 C HA 0.323 4.781 4.460 -0.003 0.000 0.277 92 C C 1.852 176.846 174.990 0.006 0.000 1.400 92 C CA 0.306 59.349 59.018 0.042 0.000 1.770 92 C CB -1.508 26.286 27.740 0.089 0.000 1.905 92 C HN 0.913 nan 8.230 nan 0.000 0.519 93 G N 2.099 110.896 108.800 -0.005 0.000 2.652 93 G HA2 -0.325 3.632 3.960 -0.003 0.000 0.318 93 G HA3 -0.325 3.632 3.960 -0.003 0.000 0.318 93 G C 0.346 175.238 174.900 -0.013 0.000 1.295 93 G CA 0.910 46.001 45.100 -0.014 0.000 0.999 93 G HN 0.669 nan 8.290 nan 0.000 0.548 94 L N -0.273 120.935 121.223 -0.026 0.000 2.592 94 L HA 0.744 5.082 4.340 -0.003 0.000 0.227 94 L C 1.740 178.580 176.870 -0.050 0.000 1.127 94 L CA 0.875 55.697 54.840 -0.030 0.000 0.884 94 L CB -0.788 41.249 42.059 -0.035 0.000 1.065 94 L HN 1.152 nan 8.230 nan 0.000 0.457 95 A N 0.779 123.565 122.820 -0.056 0.000 2.415 95 A HA 0.613 4.931 4.320 -0.003 0.000 0.309 95 A C 1.546 179.075 177.584 -0.090 0.000 1.356 95 A CA 0.149 52.133 52.037 -0.087 0.000 0.998 95 A CB -0.076 18.872 19.000 -0.086 0.000 1.145 95 A HN 0.365 nan 8.150 nan 0.000 0.545 96 G N 1.713 110.449 108.800 -0.107 0.000 2.448 96 G HA2 -0.219 3.739 3.960 -0.003 0.000 0.219 96 G HA3 -0.219 3.739 3.960 -0.003 0.000 0.219 96 G C 1.510 176.266 174.900 -0.240 0.000 1.127 96 G CA 1.663 46.690 45.100 -0.123 0.000 0.766 96 G HN 0.815 nan 8.290 nan 0.000 0.552 97 T N -0.570 113.768 114.554 -0.360 0.000 2.821 97 T HA -0.099 4.249 4.350 -0.003 0.000 0.267 97 T C 2.291 176.727 174.700 -0.439 0.000 1.046 97 T CA 1.309 62.980 62.100 -0.716 0.000 1.139 97 T CB -0.470 67.972 68.868 -0.711 0.000 0.871 97 T HN 0.027 nan 8.240 nan 0.000 0.454 98 V N 1.820 121.628 119.914 -0.176 0.000 2.343 98 V HA -0.071 4.047 4.120 -0.003 0.000 0.247 98 V C 2.564 178.697 176.094 0.066 0.000 1.051 98 V CA 1.529 63.824 62.300 -0.009 0.000 1.036 98 V CB -0.970 30.871 31.823 0.030 0.000 0.654 98 V HN 0.420 nan 8.190 nan 0.000 0.451 99 L N 0.083 121.324 121.223 0.030 0.000 2.127 99 L HA -0.135 4.203 4.340 -0.003 0.000 0.211 99 L C 2.297 179.209 176.870 0.071 0.000 1.089 99 L CA 2.037 56.931 54.840 0.091 0.000 0.757 99 L CB -0.441 41.665 42.059 0.080 0.000 0.899 99 L HN 0.168 nan 8.230 nan 0.000 0.434 100 R N -2.700 117.817 120.500 0.029 0.000 2.250 100 R HA 0.176 4.514 4.340 -0.003 0.000 0.194 100 R C 1.765 178.252 176.300 0.311 0.000 0.927 100 R CA 0.398 56.578 56.100 0.134 0.000 1.052 100 R CB -0.133 30.249 30.300 0.137 0.000 1.055 100 R HN 0.196 nan 8.270 nan 0.000 0.537 101 F N -0.478 119.488 119.950 0.027 0.000 2.387 101 F HA 0.096 4.621 4.527 -0.002 0.000 0.294 101 F C 1.928 177.755 175.800 0.046 0.000 1.093 101 F CA 0.282 58.293 58.000 0.018 0.000 1.420 101 F CB -0.429 38.567 39.000 -0.006 0.000 1.086 101 F HN -0.252 nan 8.300 nan 0.000 0.531 102 V N 0.533 120.607 119.914 0.268 0.000 2.649 102 V HA -0.063 4.055 4.120 -0.003 0.000 0.248 102 V C -0.572 175.667 176.094 0.242 0.000 1.054 102 V CA 1.014 63.475 62.300 0.268 0.000 1.073 102 V CB -1.635 30.401 31.823 0.356 0.000 0.699 102 V HN 0.089 nan 8.190 nan 0.000 0.463 103 P HA -0.106 nan 4.420 nan 0.000 0.216 103 P C -1.405 175.934 177.300 0.066 0.000 1.153 103 P CA 1.782 64.795 63.100 -0.144 0.000 0.858 103 P CB -1.208 30.299 31.700 -0.322 0.000 0.789 104 P HA -0.138 nan 4.420 nan 0.000 0.215 104 P C 1.645 179.054 177.300 0.182 0.000 1.153 104 P CA 1.161 64.356 63.100 0.158 0.000 0.853 104 P CB -0.517 31.323 31.700 0.233 0.000 0.788 105 L N -0.618 120.713 121.223 0.181 0.000 1.971 105 L HA -0.266 4.071 4.340 -0.003 0.000 0.215 105 L C 2.494 179.458 176.870 0.155 0.000 1.072 105 L CA 2.075 57.015 54.840 0.166 0.000 0.758 105 L CB -1.395 40.759 42.059 0.158 0.000 0.889 105 L HN -0.025 nan 8.230 nan 0.000 0.433 106 A N -0.262 122.678 122.820 0.200 0.000 1.986 106 A HA -0.230 4.088 4.320 -0.003 0.000 0.220 106 A C 2.477 180.138 177.584 0.128 0.000 1.171 106 A CA 1.800 53.950 52.037 0.189 0.000 0.640 106 A CB -0.717 18.480 19.000 0.328 0.000 0.811 106 A HN 0.496 nan 8.150 nan 0.000 0.451 107 A N 0.014 122.894 122.820 0.101 0.000 1.978 107 A HA -0.065 4.253 4.320 -0.003 0.000 0.220 107 A C 1.844 179.432 177.584 0.006 0.000 1.170 107 A CA 1.450 53.498 52.037 0.019 0.000 0.636 107 A CB -0.635 18.324 19.000 -0.068 0.000 0.810 107 A HN 0.555 nan 8.150 nan 0.000 0.448 108 L N -0.342 120.911 121.223 0.050 0.000 2.650 108 L HA 0.145 4.483 4.340 -0.003 0.000 0.235 108 L C 1.332 178.231 176.870 0.049 0.000 1.149 108 L CA -0.115 54.758 54.840 0.055 0.000 0.887 108 L CB -1.062 41.057 42.059 0.100 0.000 1.021 108 L HN 0.380 nan 8.230 nan 0.000 0.441 109 G N -1.234 107.594 108.800 0.048 0.000 2.531 109 G HA2 0.307 4.264 3.960 -0.003 0.000 0.313 109 G HA3 0.307 4.264 3.960 -0.003 0.000 0.313 109 G C 0.415 175.331 174.900 0.027 0.000 1.238 109 G CA -0.215 44.909 45.100 0.041 0.000 0.994 109 G HN -0.062 nan 8.290 nan 0.000 0.493 110 S N -1.943 113.770 115.700 0.022 0.000 2.527 110 S HA 0.249 4.717 4.470 -0.003 0.000 0.227 110 S C 0.841 175.449 174.600 0.014 0.000 1.059 110 S CA -0.102 58.107 58.200 0.015 0.000 0.919 110 S CB 0.075 63.282 63.200 0.012 0.000 0.805 110 S HN 0.279 nan 8.310 nan 0.000 0.500 111 V N 2.968 122.890 119.914 0.014 0.000 2.966 111 V HA 0.490 4.608 4.120 -0.003 0.000 0.317 111 V C -2.527 173.578 176.094 0.019 0.000 1.070 111 V CA -2.168 60.138 62.300 0.011 0.000 1.008 111 V CB 1.635 33.459 31.823 0.001 0.000 1.070 111 V HN 0.166 nan 8.190 nan 0.000 0.457 112 P HA 0.258 nan 4.420 nan 0.000 0.276 112 P C -1.270 176.036 177.300 0.010 0.000 1.235 112 P CA 0.031 63.148 63.100 0.029 0.000 0.772 112 P CB 0.665 32.379 31.700 0.023 0.000 0.871 113 V N 3.892 123.826 119.914 0.033 0.000 2.448 113 V HA 0.314 4.432 4.120 -0.003 0.000 0.295 113 V C 0.435 176.474 176.094 -0.091 0.000 1.025 113 V CA -0.353 61.909 62.300 -0.064 0.000 0.859 113 V CB 1.757 33.528 31.823 -0.086 0.000 0.988 113 V HN 0.465 nan 8.190 nan 0.000 0.431 114 T N 5.083 119.517 114.554 -0.200 0.000 2.909 114 T HA 0.607 4.955 4.350 -0.003 0.000 0.289 114 T C -0.685 173.707 174.700 -0.514 0.000 1.005 114 T CA 0.182 62.157 62.100 -0.208 0.000 1.084 114 T CB 0.465 69.246 68.868 -0.145 0.000 0.975 114 T HN 0.333 nan 8.240 nan 0.000 0.509 115 F N 1.836 121.483 119.950 -0.504 0.000 2.477 115 F HA 0.482 5.007 4.527 -0.004 0.000 0.335 115 F C 0.391 175.908 175.800 -0.471 0.000 1.130 115 F CA -0.852 56.768 58.000 -0.634 0.000 0.948 115 F CB 1.680 39.890 39.000 -1.317 0.000 1.154 115 F HN 0.428 nan 8.300 nan 0.000 0.439 116 D N 0.947 121.261 120.400 -0.144 0.000 2.559 116 D HA 0.793 5.431 4.640 -0.003 0.000 0.250 116 D C -0.608 175.674 176.300 -0.030 0.000 1.135 116 D CA -0.326 53.627 54.000 -0.079 0.000 0.955 116 D CB 2.689 43.437 40.800 -0.087 0.000 1.442 116 D HN 0.730 nan 8.370 nan 0.000 0.471 117 G N -0.037 108.757 108.800 -0.010 0.000 2.559 117 G HA2 0.456 4.414 3.960 -0.003 0.000 0.291 117 G HA3 0.456 4.414 3.960 -0.003 0.000 0.291 117 G C -1.220 173.682 174.900 0.003 0.000 1.424 117 G CA -0.555 44.547 45.100 0.003 0.000 0.786 117 G HN 0.552 nan 8.290 nan 0.000 0.485 118 D N -1.104 119.298 120.400 0.004 0.000 2.419 118 D HA 0.228 4.866 4.640 -0.003 0.000 0.255 118 D C 1.562 177.870 176.300 0.013 0.000 1.265 118 D CA -0.161 53.842 54.000 0.005 0.000 1.015 118 D CB 0.715 41.517 40.800 0.003 0.000 1.089 118 D HN 0.553 nan 8.370 nan 0.000 0.533 119 Q N -0.863 118.945 119.800 0.013 0.000 2.133 119 Q HA -0.361 3.977 4.340 -0.003 0.000 0.208 119 Q C 1.967 177.980 176.000 0.021 0.000 0.991 119 Q CA 2.065 57.878 55.803 0.017 0.000 0.867 119 Q CB -0.097 28.650 28.738 0.015 0.000 0.911 119 Q HN 0.594 nan 8.270 nan 0.000 0.417 120 Q N -0.181 119.631 119.800 0.021 0.000 2.079 120 Q HA -0.037 4.301 4.340 -0.003 0.000 0.200 120 Q C 2.079 178.094 176.000 0.025 0.000 0.974 120 Q CA 1.552 57.369 55.803 0.024 0.000 0.840 120 Q CB -0.293 28.459 28.738 0.025 0.000 0.898 120 Q HN 0.508 nan 8.270 nan 0.000 0.430 121 A N 1.148 123.983 122.820 0.024 0.000 1.933 121 A HA -0.192 4.126 4.320 -0.003 0.000 0.218 121 A C 1.978 179.589 177.584 0.046 0.000 1.175 121 A CA 1.367 53.423 52.037 0.031 0.000 0.628 121 A CB -0.362 18.655 19.000 0.028 0.000 0.814 121 A HN 0.208 nan 8.150 nan 0.000 0.444 122 R N -0.922 119.604 120.500 0.043 0.000 2.148 122 R HA -0.071 4.267 4.340 -0.003 0.000 0.227 122 R C 1.841 178.168 176.300 0.046 0.000 1.103 122 R CA 0.864 56.995 56.100 0.052 0.000 0.983 122 R CB -0.353 29.971 30.300 0.041 0.000 0.874 122 R HN 0.491 nan 8.270 nan 0.000 0.451 123 G N 0.634 109.455 108.800 0.035 0.000 3.262 123 G HA2 -0.030 3.928 3.960 -0.003 0.000 0.228 123 G HA3 -0.030 3.928 3.960 -0.003 0.000 0.228 123 G C 0.241 175.156 174.900 0.025 0.000 1.197 123 G CA -0.343 44.774 45.100 0.028 0.000 0.819 123 G HN -0.055 nan 8.290 nan 0.000 0.531 124 R N 0.800 121.320 120.500 0.034 0.000 2.357 124 R HA 0.321 4.659 4.340 -0.003 0.000 0.296 124 R C -2.556 173.769 176.300 0.041 0.000 1.052 124 R CA -2.291 53.824 56.100 0.025 0.000 0.988 124 R CB 0.889 31.208 30.300 0.033 0.000 1.025 124 R HN -0.004 nan 8.270 nan 0.000 0.469 125 P HA 0.045 nan 4.420 nan 0.000 0.264 125 P C 0.153 177.598 177.300 0.241 0.000 1.193 125 P CA 0.202 63.363 63.100 0.101 0.000 0.763 125 P CB 0.467 32.195 31.700 0.047 0.000 0.810 126 I N 2.221 122.891 120.570 0.167 0.000 4.604 126 I HA 0.208 4.376 4.170 -0.003 0.000 0.384 126 I C 1.384 177.336 176.117 -0.275 0.000 1.155 126 I CA 0.359 61.685 61.300 0.042 0.000 1.313 126 I CB -0.400 37.611 38.000 0.019 0.000 2.167 126 I HN 0.273 nan 8.210 nan 0.000 0.704 127 A N 1.624 124.311 122.820 -0.222 0.000 1.855 127 A HA 0.127 4.445 4.320 -0.003 0.000 0.215 127 A C -0.347 177.005 177.584 -0.387 0.000 1.191 127 A CA 1.798 53.675 52.037 -0.266 0.000 0.613 127 A CB -1.829 17.085 19.000 -0.143 0.000 0.829 127 A HN 0.349 nan 8.150 nan 0.000 0.442 128 P HA -0.132 nan 4.420 nan 0.000 0.219 128 P C 1.508 178.449 177.300 -0.598 0.000 1.146 128 P CA 0.781 63.599 63.100 -0.470 0.000 0.808 128 P CB -0.028 31.413 31.700 -0.432 0.000 0.779 129 L N -1.403 119.255 121.223 -0.941 0.000 2.156 129 L HA -0.044 4.294 4.340 -0.003 0.000 0.208 129 L C 2.054 178.670 176.870 -0.423 0.000 1.095 129 L CA 1.554 56.014 54.840 -0.634 0.000 0.770 129 L CB -1.001 40.698 42.059 -0.600 0.000 0.914 129 L HN -0.126 nan 8.230 nan 0.000 0.439 130 L N -0.890 120.056 121.223 -0.461 0.000 2.056 130 L HA -0.156 4.182 4.340 -0.003 0.000 0.207 130 L C 2.181 178.886 176.870 -0.274 0.000 1.078 130 L CA 1.222 55.812 54.840 -0.415 0.000 0.749 130 L CB -0.791 40.981 42.059 -0.478 0.000 0.901 130 L HN 0.276 nan 8.230 nan 0.000 0.433 131 D N 0.264 120.517 120.400 -0.245 0.000 2.144 131 D HA -0.126 4.511 4.640 -0.003 0.000 0.200 131 D C 2.194 178.409 176.300 -0.141 0.000 0.978 131 D CA 1.391 55.291 54.000 -0.167 0.000 0.833 131 D CB 0.194 40.908 40.800 -0.143 0.000 0.961 131 D HN 0.270 nan 8.370 nan 0.000 0.470 132 A N 0.714 123.437 122.820 -0.161 0.000 1.933 132 A HA -0.135 4.183 4.320 -0.003 0.000 0.218 132 A C 2.396 179.924 177.584 -0.093 0.000 1.175 132 A CA 0.873 52.845 52.037 -0.108 0.000 0.628 132 A CB -0.703 18.233 19.000 -0.105 0.000 0.814 132 A HN 0.226 nan 8.150 nan 0.000 0.444 133 L N -1.414 119.732 121.223 -0.127 0.000 2.141 133 L HA -0.152 4.186 4.340 -0.003 0.000 0.209 133 L C 2.839 179.639 176.870 -0.116 0.000 1.094 133 L CA 1.206 55.971 54.840 -0.125 0.000 0.763 133 L CB -0.414 41.559 42.059 -0.143 0.000 0.908 133 L HN 0.349 nan 8.230 nan 0.000 0.437 134 R N -0.013 120.422 120.500 -0.108 0.000 2.062 134 R HA -0.134 4.204 4.340 -0.003 0.000 0.231 134 R C 2.267 178.525 176.300 -0.070 0.000 1.136 134 R CA 1.411 57.461 56.100 -0.085 0.000 0.948 134 R CB -0.239 30.012 30.300 -0.081 0.000 0.845 134 R HN 0.395 nan 8.270 nan 0.000 0.430 135 E N 0.749 120.910 120.200 -0.065 0.000 2.130 135 E HA -0.215 4.133 4.350 -0.003 0.000 0.196 135 E C 1.297 177.871 176.600 -0.043 0.000 0.998 135 E CA 1.136 57.510 56.400 -0.045 0.000 0.806 135 E CB -0.158 29.522 29.700 -0.033 0.000 0.738 135 E HN 0.378 nan 8.360 nan 0.000 0.459 136 L N -0.155 121.031 121.223 -0.061 0.000 2.912 136 L HA 0.318 4.655 4.340 -0.003 0.000 0.240 136 L C 1.282 178.077 176.870 -0.125 0.000 1.262 136 L CA 0.229 55.023 54.840 -0.076 0.000 1.058 136 L CB 0.376 42.393 42.059 -0.070 0.000 1.383 136 L HN 0.245 nan 8.230 nan 0.000 0.512 137 G N -0.810 107.932 108.800 -0.097 0.000 2.345 137 G HA2 -0.267 3.691 3.960 -0.003 0.000 0.218 137 G HA3 -0.267 3.691 3.960 -0.003 0.000 0.218 137 G C 0.338 175.183 174.900 -0.092 0.000 1.058 137 G CA -0.109 44.934 45.100 -0.094 0.000 0.632 137 G HN 0.084 nan 8.290 nan 0.000 0.508 138 V N 2.081 121.925 119.914 -0.116 0.000 2.585 138 V HA 0.526 4.644 4.120 -0.003 0.000 0.296 138 V C 1.078 177.137 176.094 -0.058 0.000 1.035 138 V CA -0.048 62.197 62.300 -0.091 0.000 1.084 138 V CB 0.862 32.622 31.823 -0.106 0.000 0.953 138 V HN 1.460 nan 8.190 nan 0.000 0.483 139 A N 5.419 128.220 122.820 -0.032 0.000 2.354 139 A HA 0.625 4.943 4.320 -0.003 0.000 0.281 139 A C -0.307 177.280 177.584 0.006 0.000 1.174 139 A CA -0.271 51.758 52.037 -0.015 0.000 0.828 139 A CB 0.247 19.245 19.000 -0.004 0.000 1.099 139 A HN 0.831 nan 8.150 nan 0.000 0.516 140 V N 3.731 123.644 119.914 -0.002 0.000 2.577 140 V HA 0.307 4.425 4.120 -0.003 0.000 0.303 140 V C -1.032 175.079 176.094 0.029 0.000 1.042 140 V CA -0.883 61.428 62.300 0.019 0.000 0.872 140 V CB 2.054 33.844 31.823 -0.055 0.000 0.998 140 V HN 0.863 nan 8.190 nan 0.000 0.423 141 D N 3.746 124.196 120.400 0.084 0.000 2.329 141 D HA 0.649 5.287 4.640 -0.003 0.000 0.232 141 D C 0.431 176.800 176.300 0.116 0.000 1.088 141 D CA 0.892 54.940 54.000 0.080 0.000 0.835 141 D CB 1.755 42.604 40.800 0.082 0.000 1.078 141 D HN 1.057 nan 8.370 nan 0.000 0.495 142 G N 1.265 110.105 108.800 0.068 0.000 2.539 142 G HA2 -0.105 3.853 3.960 -0.003 0.000 0.686 142 G HA3 -0.105 3.853 3.960 -0.003 0.000 0.686 142 G C 0.363 175.272 174.900 0.015 0.000 1.258 142 G CA -0.114 45.031 45.100 0.076 0.000 0.846 142 G HN 0.358 nan 8.290 nan 0.000 0.647 143 T N -1.694 112.865 114.554 0.008 0.000 3.040 143 T HA 0.644 4.992 4.350 -0.003 0.000 0.266 143 T C 1.077 175.759 174.700 -0.031 0.000 1.005 143 T CA 1.065 63.142 62.100 -0.038 0.000 0.906 143 T CB 0.995 69.847 68.868 -0.027 0.000 1.082 143 T HN 2.177 nan 8.240 nan 0.000 0.531 144 G N 0.779 109.601 108.800 0.037 0.000 2.606 144 G HA2 0.556 4.513 3.960 -0.003 0.000 0.300 144 G HA3 0.556 4.513 3.960 -0.003 0.000 0.300 144 G C -1.942 173.109 174.900 0.251 0.000 1.360 144 G CA -1.044 44.112 45.100 0.093 0.000 0.783 144 G HN 0.212 nan 8.290 nan 0.000 0.484 145 L N 2.520 123.900 121.223 0.262 0.000 2.462 145 L HA 0.405 4.743 4.340 -0.003 0.000 0.272 145 L C -1.453 175.492 176.870 0.124 0.000 1.166 145 L CA -1.040 53.942 54.840 0.237 0.000 0.880 145 L CB 0.530 42.692 42.059 0.172 0.000 1.142 145 L HN 0.318 nan 8.230 nan 0.000 0.473 146 P HA 0.339 nan 4.420 nan 0.000 0.286 146 P C -1.299 176.077 177.300 0.126 0.000 1.261 146 P CA -0.335 62.789 63.100 0.039 0.000 0.821 146 P CB 1.102 32.794 31.700 -0.013 0.000 1.013 147 F N -0.440 119.577 119.950 0.112 0.000 2.631 147 F HA 0.777 5.303 4.527 -0.001 0.000 0.328 147 F C -0.238 175.654 175.800 0.153 0.000 1.067 147 F CA -1.734 56.321 58.000 0.093 0.000 0.969 147 F CB 1.603 40.630 39.000 0.044 0.000 1.332 147 F HN 0.200 nan 8.300 nan 0.000 0.490 148 R N 1.462 122.164 120.500 0.337 0.000 2.437 148 R HA 0.689 5.027 4.340 -0.003 0.000 0.310 148 R C -2.048 174.444 176.300 0.320 0.000 0.955 148 R CA -0.692 55.555 56.100 0.245 0.000 0.851 148 R CB 1.757 32.133 30.300 0.125 0.000 1.161 148 R HN 0.767 nan 8.270 nan 0.000 0.446 149 V N 6.012 126.142 119.914 0.360 0.000 2.432 149 V HA 0.281 4.399 4.120 -0.003 0.000 0.271 149 V C 0.417 176.604 176.094 0.154 0.000 1.046 149 V CA -0.310 62.154 62.300 0.275 0.000 0.945 149 V CB 1.157 33.192 31.823 0.352 0.000 0.992 149 V HN 0.728 nan 8.190 nan 0.000 0.471 150 R N 4.311 124.867 120.500 0.094 0.000 3.171 150 R HA 0.317 4.655 4.340 -0.003 0.000 0.241 150 R C 0.729 177.051 176.300 0.037 0.000 1.421 150 R CA -0.250 55.884 56.100 0.056 0.000 1.444 150 R CB 0.760 31.082 30.300 0.038 0.000 1.247 150 R HN 0.833 nan 8.270 nan 0.000 0.636 151 G N 1.183 110.010 108.800 0.045 0.000 2.432 151 G HA2 -0.052 3.906 3.960 -0.003 0.000 0.239 151 G HA3 -0.052 3.906 3.960 -0.003 0.000 0.239 151 G C 0.208 175.117 174.900 0.014 0.000 1.291 151 G CA -0.405 44.711 45.100 0.028 0.000 0.863 151 G HN 0.499 nan 8.290 nan 0.000 0.560 152 N N 0.570 119.271 118.700 0.002 0.000 2.606 152 N HA 0.262 5.000 4.740 -0.003 0.000 0.208 152 N C 1.483 176.995 175.510 0.002 0.000 1.046 152 N CA 0.709 53.759 53.050 0.000 0.000 0.891 152 N CB 0.625 39.108 38.487 -0.007 0.000 1.344 152 N HN 0.666 nan 8.380 nan 0.000 0.437 153 G N -1.076 107.724 108.800 -0.000 0.000 4.320 153 G HA2 0.184 4.142 3.960 -0.003 0.000 0.150 153 G HA3 0.184 4.142 3.960 -0.003 0.000 0.150 153 G C -0.144 174.760 174.900 0.007 0.000 0.889 153 G CA 0.494 45.598 45.100 0.006 0.000 0.877 153 G HN 0.567 nan 8.290 nan 0.000 0.425 154 S N -0.900 114.795 115.700 -0.008 0.000 2.727 154 S HA 0.817 5.285 4.470 -0.003 0.000 0.278 154 S C -2.351 172.209 174.600 -0.066 0.000 1.186 154 S CA -0.725 57.467 58.200 -0.012 0.000 0.836 154 S CB 2.204 65.405 63.200 0.002 0.000 1.186 154 S HN 0.896 nan 8.310 nan 0.000 0.499 155 L N 1.072 122.235 121.223 -0.101 0.000 2.410 155 L HA 0.880 5.218 4.340 -0.003 0.000 0.270 155 L C 0.967 177.734 176.870 -0.172 0.000 0.983 155 L CA -0.115 54.570 54.840 -0.257 0.000 0.822 155 L CB 1.441 43.110 42.059 -0.649 0.000 1.285 155 L HN 1.100 nan 8.230 nan 0.000 0.409 156 A N 3.570 126.300 122.820 -0.150 0.000 1.835 156 A HA 0.420 4.738 4.320 -0.003 0.000 0.215 156 A C 1.342 178.935 177.584 0.015 0.000 1.199 156 A CA 1.887 53.892 52.037 -0.052 0.000 0.615 156 A CB -1.059 17.912 19.000 -0.049 0.000 0.838 156 A HN 1.698 nan 8.150 nan 0.000 0.444 157 G N -2.871 105.923 108.800 -0.010 0.000 2.846 157 G HA2 0.394 4.352 3.960 -0.003 0.000 0.225 157 G HA3 0.394 4.352 3.960 -0.003 0.000 0.225 157 G C 1.201 176.169 174.900 0.113 0.000 1.285 157 G CA 0.624 45.837 45.100 0.188 0.000 1.055 157 G HN 2.573 nan 8.290 nan 0.000 0.579 158 G N -2.008 106.857 108.800 0.108 0.000 2.568 158 G HA2 0.445 4.403 3.960 -0.003 0.000 0.222 158 G HA3 0.445 4.403 3.960 -0.003 0.000 0.222 158 G C 0.460 175.410 174.900 0.083 0.000 1.321 158 G CA 1.204 46.347 45.100 0.072 0.000 0.893 158 G HN 2.907 nan 8.290 nan 0.000 0.569 159 T N -1.967 112.625 114.554 0.063 0.000 2.807 159 T HA 0.798 5.146 4.350 -0.003 0.000 0.279 159 T C -0.010 174.728 174.700 0.063 0.000 0.993 159 T CA 0.219 62.361 62.100 0.070 0.000 0.970 159 T CB 1.489 70.391 68.868 0.057 0.000 0.950 159 T HN 2.059 nan 8.240 nan 0.000 0.441 160 V N 0.829 120.790 119.914 0.077 0.000 2.715 160 V HA 0.927 5.045 4.120 -0.003 0.000 0.310 160 V C 0.349 176.487 176.094 0.074 0.000 1.054 160 V CA -1.418 60.918 62.300 0.060 0.000 0.928 160 V CB 1.308 33.160 31.823 0.048 0.000 1.007 160 V HN 1.245 nan 8.190 nan 0.000 0.437 161 A N 4.637 127.489 122.820 0.054 0.000 2.736 161 A HA 0.705 5.023 4.320 -0.003 0.000 0.335 161 A C -0.382 177.238 177.584 0.060 0.000 1.446 161 A CA -0.204 51.871 52.037 0.063 0.000 1.028 161 A CB -0.436 18.589 19.000 0.042 0.000 1.154 161 A HN 0.903 nan 8.150 nan 0.000 0.507 162 I N 1.778 122.402 120.570 0.090 0.000 2.441 162 I HA 0.292 4.460 4.170 -0.003 0.000 0.295 162 I C -0.873 175.334 176.117 0.150 0.000 0.994 162 I CA -0.798 60.546 61.300 0.074 0.000 1.144 162 I CB 1.777 39.799 38.000 0.037 0.000 1.314 162 I HN 0.620 nan 8.210 nan 0.000 0.445 163 D N 6.414 126.895 120.400 0.134 0.000 2.365 163 D HA 0.300 4.938 4.640 -0.003 0.000 0.237 163 D C 0.168 176.578 176.300 0.184 0.000 1.190 163 D CA -0.262 53.862 54.000 0.206 0.000 0.867 163 D CB 1.461 42.355 40.800 0.157 0.000 1.050 163 D HN 0.516 nan 8.370 nan 0.000 0.491 164 A N 3.364 126.247 122.820 0.104 0.000 2.532 164 A HA 0.159 4.477 4.320 -0.003 0.000 0.273 164 A C 1.929 179.459 177.584 -0.090 0.000 1.342 164 A CA -0.352 51.727 52.037 0.069 0.000 0.929 164 A CB -0.292 18.674 19.000 -0.056 0.000 1.051 164 A HN 0.528 nan 8.150 nan 0.000 0.521 165 S N 0.169 115.875 115.700 0.009 0.000 2.374 165 S HA -0.178 4.290 4.470 -0.003 0.000 0.227 165 S C 2.237 176.829 174.600 -0.014 0.000 1.037 165 S CA 1.632 59.844 58.200 0.021 0.000 1.024 165 S CB -0.117 63.149 63.200 0.109 0.000 0.861 165 S HN 0.866 nan 8.310 nan 0.000 0.456 166 A N -0.719 122.096 122.820 -0.009 0.000 2.067 166 A HA 0.331 4.649 4.320 -0.003 0.000 0.217 166 A C 0.962 178.298 177.584 -0.414 0.000 1.156 166 A CA 0.644 52.611 52.037 -0.116 0.000 0.683 166 A CB 0.048 19.081 19.000 0.056 0.000 0.808 166 A HN 0.354 nan 8.150 nan 0.000 0.455 167 S N -2.067 113.309 115.700 -0.540 0.000 2.586 167 S HA 0.295 4.763 4.470 -0.003 0.000 0.296 167 S C 0.724 175.039 174.600 -0.475 0.000 1.120 167 S CA 0.157 57.969 58.200 -0.646 0.000 0.927 167 S CB 0.627 63.140 63.200 -1.144 0.000 1.114 167 S HN 0.727 nan 8.310 nan 0.000 0.453 168 S N 3.783 119.338 115.700 -0.243 0.000 2.399 168 S HA -0.158 4.310 4.470 -0.003 0.000 0.231 168 S C 1.502 176.038 174.600 -0.107 0.000 1.022 168 S CA 1.042 59.145 58.200 -0.162 0.000 0.983 168 S CB -0.523 62.630 63.200 -0.079 0.000 0.803 168 S HN 0.803 nan 8.310 nan 0.000 0.480 169 Q N -0.090 119.648 119.800 -0.103 0.000 2.234 169 Q HA -0.076 4.261 4.340 -0.003 0.000 0.206 169 Q C 1.567 177.654 176.000 0.145 0.000 0.980 169 Q CA 1.204 57.050 55.803 0.070 0.000 0.869 169 Q CB -0.430 28.269 28.738 -0.065 0.000 0.912 169 Q HN 0.586 nan 8.270 nan 0.000 0.436 170 F N -0.115 119.826 119.950 -0.015 0.000 2.134 170 F HA -0.181 4.343 4.527 -0.005 0.000 0.299 170 F C 2.314 178.063 175.800 -0.085 0.000 1.097 170 F CA 0.517 58.490 58.000 -0.045 0.000 1.264 170 F CB -1.065 37.889 39.000 -0.075 0.000 1.001 170 F HN -0.133 nan 8.300 nan 0.000 0.479 171 V N -0.993 118.931 119.914 0.016 0.000 2.270 171 V HA -0.244 3.874 4.120 -0.003 0.000 0.245 171 V C 2.433 178.383 176.094 -0.240 0.000 1.043 171 V CA 2.009 64.176 62.300 -0.221 0.000 1.014 171 V CB -1.065 30.430 31.823 -0.547 0.000 0.645 171 V HN 0.261 nan 8.190 nan 0.000 0.447 172 S N 0.495 116.082 115.700 -0.189 0.000 2.370 172 S HA -0.162 4.306 4.470 -0.003 0.000 0.226 172 S C 2.095 176.469 174.600 -0.378 0.000 1.033 172 S CA 1.486 59.521 58.200 -0.276 0.000 1.011 172 S CB -0.854 62.245 63.200 -0.168 0.000 0.852 172 S HN 0.708 nan 8.310 nan 0.000 0.457 173 G N 1.891 110.625 108.800 -0.111 0.000 2.491 173 G HA2 -0.216 3.742 3.960 -0.003 0.000 0.218 173 G HA3 -0.216 3.742 3.960 -0.003 0.000 0.218 173 G C 1.334 176.185 174.900 -0.081 0.000 1.180 173 G CA 1.001 46.082 45.100 -0.031 0.000 0.774 173 G HN 0.453 nan 8.290 nan 0.000 0.562 174 L N -0.173 121.026 121.223 -0.040 0.000 2.012 174 L HA -0.058 4.280 4.340 -0.003 0.000 0.210 174 L C 2.984 179.742 176.870 -0.186 0.000 1.073 174 L CA 0.719 55.540 54.840 -0.031 0.000 0.748 174 L CB -0.488 41.573 42.059 0.004 0.000 0.891 174 L HN 0.189 nan 8.230 nan 0.000 0.431 175 L N -0.600 120.481 121.223 -0.237 0.000 2.046 175 L HA -0.231 4.107 4.340 -0.003 0.000 0.208 175 L C 2.554 179.249 176.870 -0.291 0.000 1.077 175 L CA 1.149 55.829 54.840 -0.266 0.000 0.747 175 L CB -0.395 41.494 42.059 -0.283 0.000 0.896 175 L HN 0.258 nan 8.230 nan 0.000 0.432 176 L N -1.022 120.009 121.223 -0.320 0.000 2.127 176 L HA -0.199 4.139 4.340 -0.003 0.000 0.211 176 L C 2.241 178.963 176.870 -0.247 0.000 1.089 176 L CA 1.152 55.815 54.840 -0.295 0.000 0.757 176 L CB -0.261 41.561 42.059 -0.394 0.000 0.899 176 L HN 0.156 nan 8.230 nan 0.000 0.434 177 S N -1.188 114.344 115.700 -0.280 0.000 2.524 177 S HA 0.209 4.677 4.470 -0.003 0.000 0.215 177 S C 1.967 176.161 174.600 -0.676 0.000 0.986 177 S CA 0.385 58.434 58.200 -0.253 0.000 0.911 177 S CB 0.468 63.677 63.200 0.015 0.000 0.805 177 S HN 0.379 nan 8.310 nan 0.000 0.501 178 A N 1.891 124.112 122.820 -0.999 0.000 2.024 178 A HA 0.065 4.383 4.320 -0.003 0.000 0.220 178 A C 2.280 179.489 177.584 -0.625 0.000 1.164 178 A CA 1.500 52.691 52.037 -1.411 0.000 0.643 178 A CB -0.835 17.716 19.000 -0.748 0.000 0.806 178 A HN 0.513 nan 8.150 nan 0.000 0.451 179 A N -0.346 122.275 122.820 -0.333 0.000 1.940 179 A HA -0.092 4.226 4.320 -0.003 0.000 0.219 179 A C 2.143 179.692 177.584 -0.058 0.000 1.176 179 A CA 1.986 53.940 52.037 -0.139 0.000 0.631 179 A CB -0.618 18.332 19.000 -0.083 0.000 0.814 179 A HN 0.491 nan 8.150 nan 0.000 0.446 180 S N -0.449 115.231 115.700 -0.033 0.000 2.605 180 S HA 0.318 4.785 4.470 -0.003 0.000 0.217 180 S C -0.063 174.712 174.600 0.292 0.000 0.958 180 S CA -0.504 57.760 58.200 0.108 0.000 0.919 180 S CB -0.245 63.028 63.200 0.123 0.000 0.780 180 S HN 0.346 nan 8.310 nan 0.000 0.507 181 F N 2.412 122.367 119.950 0.009 0.000 2.399 181 F HA 0.263 4.787 4.527 -0.004 0.000 0.313 181 F C 2.087 177.893 175.800 0.010 0.000 1.202 181 F CA -1.279 56.726 58.000 0.009 0.000 1.192 181 F CB -0.440 38.564 39.000 0.006 0.000 1.256 181 F HN -0.020 nan 8.300 nan 0.000 0.558 182 T N -0.263 114.404 114.554 0.189 0.000 2.668 182 T HA -0.139 4.209 4.350 -0.003 0.000 0.258 182 T C 0.700 175.460 174.700 0.100 0.000 1.051 182 T CA 1.455 63.618 62.100 0.104 0.000 1.155 182 T CB -0.306 68.594 68.868 0.053 0.000 0.864 182 T HN 0.359 nan 8.240 nan 0.000 0.413 183 D N 1.276 121.736 120.400 0.101 0.000 2.352 183 D HA 0.424 5.062 4.640 -0.003 0.000 0.236 183 D C 1.182 177.544 176.300 0.103 0.000 1.148 183 D CA 0.414 54.465 54.000 0.084 0.000 0.844 183 D CB -0.642 40.197 40.800 0.065 0.000 0.933 183 D HN 0.569 nan 8.370 nan 0.000 0.507 184 G N 0.355 109.235 108.800 0.134 0.000 2.668 184 G HA2 -0.211 3.747 3.960 -0.003 0.000 0.266 184 G HA3 -0.211 3.747 3.960 -0.003 0.000 0.266 184 G C -0.663 174.319 174.900 0.136 0.000 1.328 184 G CA -0.435 44.726 45.100 0.101 0.000 0.911 184 G HN 0.321 nan 8.290 nan 0.000 0.567 185 L N -1.109 120.154 121.223 0.066 0.000 2.388 185 L HA 0.812 5.150 4.340 -0.003 0.000 0.264 185 L C 0.124 177.045 176.870 0.085 0.000 0.998 185 L CA -0.248 54.652 54.840 0.100 0.000 0.817 185 L CB 2.581 44.681 42.059 0.069 0.000 1.338 185 L HN 0.806 nan 8.230 nan 0.000 0.414 186 T N 3.131 117.747 114.554 0.104 0.000 2.963 186 T HA 0.459 4.807 4.350 -0.003 0.000 0.328 186 T C -0.863 173.924 174.700 0.144 0.000 1.048 186 T CA -0.320 61.848 62.100 0.115 0.000 1.033 186 T CB 0.848 69.765 68.868 0.082 0.000 1.010 186 T HN 0.288 nan 8.240 nan 0.000 0.469 187 V N 3.776 123.817 119.914 0.213 0.000 2.498 187 V HA 0.481 4.599 4.120 -0.003 0.000 0.279 187 V C 0.157 176.449 176.094 0.329 0.000 1.048 187 V CA -0.574 61.885 62.300 0.265 0.000 0.967 187 V CB 1.318 33.314 31.823 0.289 0.000 0.988 187 V HN 0.706 nan 8.190 nan 0.000 0.473 188 Q N 3.144 123.094 119.800 0.250 0.000 2.325 188 Q HA 0.358 4.696 4.340 -0.003 0.000 0.270 188 Q C -0.828 175.349 176.000 0.295 0.000 1.020 188 Q CA -0.511 55.423 55.803 0.217 0.000 0.785 188 Q CB 1.159 29.960 28.738 0.104 0.000 1.259 188 Q HN 0.860 nan 8.270 nan 0.000 0.452 189 H N 1.891 121.109 119.070 0.246 0.000 2.502 189 H HA 0.545 5.099 4.556 -0.003 0.000 0.327 189 H C -0.851 174.542 175.328 0.107 0.000 1.099 189 H CA -0.178 56.003 56.048 0.222 0.000 1.323 189 H CB 0.871 30.841 29.762 0.346 0.000 1.450 189 H HN 0.653 nan 8.280 nan 0.000 0.502 190 T N 3.818 118.383 114.554 0.017 0.000 2.922 190 T HA 0.502 4.850 4.350 -0.003 0.000 0.285 190 T C 0.972 175.455 174.700 -0.362 0.000 1.005 190 T CA -0.045 61.971 62.100 -0.140 0.000 1.061 190 T CB 1.138 70.016 68.868 0.017 0.000 1.007 190 T HN 1.010 nan 8.240 nan 0.000 0.502 191 G N 2.124 110.789 108.800 -0.225 0.000 2.614 191 G HA2 -0.196 3.762 3.960 -0.003 0.000 0.303 191 G HA3 -0.196 3.762 3.960 -0.003 0.000 0.303 191 G C 0.069 174.823 174.900 -0.244 0.000 1.270 191 G CA 0.290 45.293 45.100 -0.162 0.000 0.988 191 G HN 1.808 nan 8.290 nan 0.000 0.551 192 S N -1.744 113.908 115.700 -0.080 0.000 2.541 192 S HA 0.845 5.313 4.470 -0.003 0.000 0.280 192 S C -0.609 174.062 174.600 0.118 0.000 1.112 192 S CA 0.712 58.913 58.200 0.002 0.000 0.925 192 S CB 2.282 65.482 63.200 -0.000 0.000 1.067 192 S HN 1.932 nan 8.310 nan 0.000 0.479 193 S N 1.336 117.136 115.700 0.166 0.000 2.622 193 S HA 0.324 4.792 4.470 -0.003 0.000 0.275 193 S C -0.969 173.736 174.600 0.175 0.000 1.112 193 S CA -1.049 57.325 58.200 0.290 0.000 0.837 193 S CB 0.730 63.989 63.200 0.098 0.000 1.082 193 S HN 1.354 nan 8.310 nan 0.000 0.456 194 L N 1.492 122.844 121.223 0.215 0.000 2.827 194 L HA 0.300 4.638 4.340 -0.003 0.000 0.280 194 L C -2.245 174.586 176.870 -0.065 0.000 1.122 194 L CA -0.918 53.961 54.840 0.066 0.000 1.044 194 L CB -1.010 41.142 42.059 0.155 0.000 1.402 194 L HN 0.251 nan 8.230 nan 0.000 0.467 195 P HA 0.003 nan 4.420 nan 0.000 0.266 195 P C 0.207 177.295 177.300 -0.353 0.000 1.195 195 P CA 0.264 63.117 63.100 -0.411 0.000 0.768 195 P CB 1.059 32.189 31.700 -0.951 0.000 0.838 196 S N 0.058 115.527 115.700 -0.386 0.000 3.695 196 S HA -0.181 4.287 4.470 -0.003 0.000 0.310 196 S C 1.342 175.682 174.600 -0.435 0.000 1.166 196 S CA 0.589 58.405 58.200 -0.640 0.000 0.882 196 S CB -2.094 60.693 63.200 -0.689 0.000 0.949 196 S HN 0.849 nan 8.310 nan 0.000 0.540 197 A N 1.449 124.146 122.820 -0.204 0.000 1.903 197 A HA -0.111 4.207 4.320 -0.003 0.000 0.219 197 A C 0.067 177.658 177.584 0.011 0.000 1.191 197 A CA 2.238 54.255 52.037 -0.034 0.000 0.638 197 A CB -1.692 17.325 19.000 0.028 0.000 0.823 197 A HN 0.550 nan 8.150 nan 0.000 0.451 198 P HA -0.143 nan 4.420 nan 0.000 0.219 198 P C 0.711 178.159 177.300 0.247 0.000 1.146 198 P CA 1.458 64.643 63.100 0.141 0.000 0.808 198 P CB -0.189 31.613 31.700 0.170 0.000 0.779 199 H N -1.107 117.969 119.070 0.009 0.000 2.389 199 H HA 0.011 4.565 4.556 -0.004 0.000 0.299 199 H C 1.995 177.315 175.328 -0.013 0.000 1.081 199 H CA 0.731 56.781 56.048 0.004 0.000 1.345 199 H CB -1.219 28.542 29.762 -0.001 0.000 1.393 199 H HN 0.187 nan 8.280 nan 0.000 0.520 200 I N 0.097 120.722 120.570 0.091 0.000 2.439 200 I HA -0.118 4.050 4.170 -0.003 0.000 0.251 200 I C 2.456 178.592 176.117 0.031 0.000 1.139 200 I CA 0.880 62.167 61.300 -0.021 0.000 1.438 200 I CB -0.327 37.625 38.000 -0.079 0.000 1.085 200 I HN 0.186 nan 8.210 nan 0.000 0.427 201 A N 0.683 123.562 122.820 0.098 0.000 2.014 201 A HA -0.175 4.143 4.320 -0.003 0.000 0.218 201 A C 2.392 180.022 177.584 0.077 0.000 1.163 201 A CA 1.061 53.163 52.037 0.108 0.000 0.652 201 A CB -0.486 18.588 19.000 0.124 0.000 0.808 201 A HN 0.418 nan 8.150 nan 0.000 0.449 202 M N -0.469 119.174 119.600 0.072 0.000 2.229 202 M HA -0.124 4.354 4.480 -0.003 0.000 0.264 202 M C 1.841 178.147 176.300 0.011 0.000 1.063 202 M CA 2.054 57.380 55.300 0.045 0.000 1.114 202 M CB -0.314 32.308 32.600 0.036 0.000 1.387 202 M HN 0.392 nan 8.290 nan 0.000 0.420 203 T N 0.980 115.521 114.554 -0.022 0.000 2.777 203 T HA -0.005 4.343 4.350 -0.003 0.000 0.266 203 T C 1.825 176.495 174.700 -0.049 0.000 1.040 203 T CA 1.412 63.461 62.100 -0.086 0.000 1.141 203 T CB -0.413 68.352 68.868 -0.172 0.000 0.868 203 T HN 0.585 nan 8.240 nan 0.000 0.444 204 A N 1.555 124.369 122.820 -0.011 0.000 1.908 204 A HA 0.073 4.391 4.320 -0.003 0.000 0.218 204 A C 2.621 180.233 177.584 0.046 0.000 1.181 204 A CA 1.958 54.014 52.037 0.032 0.000 0.627 204 A CB -1.102 17.955 19.000 0.095 0.000 0.818 204 A HN 0.510 nan 8.150 nan 0.000 0.445 205 A N -0.746 122.106 122.820 0.054 0.000 1.898 205 A HA -0.086 4.232 4.320 -0.003 0.000 0.216 205 A C 2.267 179.904 177.584 0.088 0.000 1.181 205 A CA 1.777 53.853 52.037 0.065 0.000 0.620 205 A CB -0.497 18.542 19.000 0.065 0.000 0.819 205 A HN 0.529 nan 8.150 nan 0.000 0.442 206 M N -0.701 118.957 119.600 0.096 0.000 2.175 206 M HA -0.030 4.448 4.480 -0.003 0.000 0.264 206 M C 2.090 178.517 176.300 0.211 0.000 1.063 206 M CA 1.018 56.434 55.300 0.194 0.000 1.119 206 M CB -0.428 32.229 32.600 0.095 0.000 1.377 206 M HN 0.369 nan 8.290 nan 0.000 0.415 207 L N -0.268 121.010 121.223 0.093 0.000 2.012 207 L HA -0.263 4.075 4.340 -0.003 0.000 0.210 207 L C 2.645 179.561 176.870 0.077 0.000 1.073 207 L CA 1.596 56.478 54.840 0.070 0.000 0.748 207 L CB -0.588 41.474 42.059 0.006 0.000 0.891 207 L HN 0.300 nan 8.230 nan 0.000 0.431 208 R N -0.480 120.057 120.500 0.063 0.000 2.096 208 R HA -0.186 4.152 4.340 -0.003 0.000 0.235 208 R C 2.252 178.572 176.300 0.033 0.000 1.127 208 R CA 1.243 57.369 56.100 0.042 0.000 0.968 208 R CB -0.283 30.040 30.300 0.038 0.000 0.861 208 R HN 0.467 nan 8.270 nan 0.000 0.440 209 Q N -0.216 119.615 119.800 0.052 0.000 2.234 209 Q HA -0.092 4.246 4.340 -0.003 0.000 0.206 209 Q C 1.466 177.422 176.000 -0.073 0.000 0.980 209 Q CA 1.445 57.242 55.803 -0.009 0.000 0.869 209 Q CB 0.094 28.844 28.738 0.020 0.000 0.912 209 Q HN 0.333 nan 8.270 nan 0.000 0.436 210 A N -0.559 122.288 122.820 0.045 0.000 2.379 210 A HA 0.394 4.712 4.320 -0.003 0.000 0.236 210 A C 1.276 178.868 177.584 0.014 0.000 1.272 210 A CA 0.503 52.564 52.037 0.039 0.000 0.886 210 A CB -0.166 18.972 19.000 0.230 0.000 0.962 210 A HN 0.391 nan 8.150 nan 0.000 0.504 211 G N -1.083 107.716 108.800 -0.000 0.000 2.143 211 G HA2 -0.206 3.752 3.960 -0.003 0.000 0.248 211 G HA3 -0.206 3.752 3.960 -0.003 0.000 0.248 211 G C 0.206 175.111 174.900 0.009 0.000 0.991 211 G CA 0.286 45.385 45.100 -0.003 0.000 0.689 211 G HN 0.734 nan 8.290 nan 0.000 0.522 212 V N 0.695 120.620 119.914 0.019 0.000 2.686 212 V HA 0.483 4.601 4.120 -0.003 0.000 0.295 212 V C 0.457 176.557 176.094 0.010 0.000 1.057 212 V CA 0.203 62.509 62.300 0.009 0.000 1.012 212 V CB 1.788 33.611 31.823 0.000 0.000 1.006 212 V HN 0.497 nan 8.190 nan 0.000 0.477 213 D N 4.182 124.586 120.400 0.007 0.000 2.359 213 D HA 0.422 5.060 4.640 -0.003 0.000 0.230 213 D C -0.580 175.730 176.300 0.017 0.000 1.118 213 D CA -0.197 53.811 54.000 0.013 0.000 0.844 213 D CB 0.974 41.780 40.800 0.011 0.000 1.059 213 D HN 0.503 nan 8.370 nan 0.000 0.493 214 I N 2.393 122.981 120.570 0.030 0.000 2.569 214 I HA 0.404 4.572 4.170 -0.003 0.000 0.296 214 I C -1.520 174.635 176.117 0.064 0.000 1.028 214 I CA -0.939 60.391 61.300 0.051 0.000 1.082 214 I CB 1.851 39.889 38.000 0.063 0.000 1.264 214 I HN 0.352 nan 8.210 nan 0.000 0.429 215 D N 5.552 125.996 120.400 0.073 0.000 2.453 215 D HA 0.262 4.900 4.640 -0.003 0.000 0.238 215 D C -0.767 175.558 176.300 0.042 0.000 1.088 215 D CA -0.376 53.652 54.000 0.047 0.000 0.854 215 D CB 1.066 41.879 40.800 0.022 0.000 1.076 215 D HN 0.537 nan 8.370 nan 0.000 0.533 216 D N 1.440 121.857 120.400 0.029 0.000 2.788 216 D HA 0.024 4.662 4.640 -0.003 0.000 0.289 216 D C 0.632 176.873 176.300 -0.099 0.000 1.340 216 D CA -0.320 53.647 54.000 -0.055 0.000 0.831 216 D CB -0.116 40.758 40.800 0.123 0.000 1.103 216 D HN 0.164 nan 8.370 nan 0.000 0.476 217 S N -0.934 114.716 115.700 -0.082 0.000 2.496 217 S HA 0.009 4.477 4.470 -0.003 0.000 0.224 217 S C 1.058 175.599 174.600 -0.098 0.000 0.996 217 S CA 0.273 58.432 58.200 -0.067 0.000 0.927 217 S CB -0.388 62.787 63.200 -0.041 0.000 0.774 217 S HN 0.370 nan 8.310 nan 0.000 0.524 218 T N 1.651 116.115 114.554 -0.150 0.000 2.786 218 T HA 0.584 4.932 4.350 -0.003 0.000 0.283 218 T C -3.280 171.266 174.700 -0.257 0.000 0.992 218 T CA -2.437 59.568 62.100 -0.159 0.000 0.954 218 T CB 1.233 70.024 68.868 -0.129 0.000 0.934 218 T HN -0.121 nan 8.240 nan 0.000 0.440 219 P HA 0.137 nan 4.420 nan 0.000 0.266 219 P C 0.227 177.316 177.300 -0.351 0.000 1.186 219 P CA 0.547 63.497 63.100 -0.250 0.000 0.767 219 P CB 0.169 31.792 31.700 -0.128 0.000 0.820 220 N N -0.853 117.567 118.700 -0.467 0.000 2.828 220 N HA -0.209 4.529 4.740 -0.003 0.000 0.248 220 N C -0.047 175.046 175.510 -0.695 0.000 1.044 220 N CA 1.158 53.965 53.050 -0.405 0.000 0.851 220 N CB -1.139 37.248 38.487 -0.166 0.000 1.136 220 N HN 0.522 nan 8.380 nan 0.000 0.572 221 R N -0.355 119.441 120.500 -1.173 0.000 2.584 221 R HA 0.454 4.792 4.340 -0.003 0.000 0.276 221 R C -1.544 174.248 176.300 -0.847 0.000 1.046 221 R CA -0.564 55.124 56.100 -0.686 0.000 0.906 221 R CB 1.392 31.513 30.300 -0.298 0.000 1.215 221 R HN 0.089 nan 8.270 nan 0.000 0.449 222 W N 3.094 124.409 121.300 0.026 0.000 2.957 222 W HA 0.347 5.005 4.660 -0.003 0.000 0.336 222 W C -0.740 175.782 176.519 0.005 0.000 1.087 222 W CA -0.698 56.654 57.345 0.011 0.000 1.235 222 W CB 2.276 31.739 29.460 0.005 0.000 1.399 222 W HN 0.410 nan 8.180 nan 0.000 0.480 223 Q N 1.850 121.756 119.800 0.177 0.000 2.341 223 Q HA 0.467 4.805 4.340 -0.003 0.000 0.268 223 Q C -1.065 174.985 176.000 0.084 0.000 1.013 223 Q CA -0.395 55.471 55.803 0.106 0.000 0.798 223 Q CB 2.439 31.211 28.738 0.056 0.000 1.253 223 Q HN 0.230 nan 8.270 nan 0.000 0.457 224 V N 4.710 124.657 119.914 0.054 0.000 2.384 224 V HA 0.467 4.584 4.120 -0.003 0.000 0.287 224 V C -0.274 175.818 176.094 -0.003 0.000 1.020 224 V CA -0.800 61.505 62.300 0.008 0.000 0.850 224 V CB 1.487 33.279 31.823 -0.051 0.000 0.987 224 V HN 0.666 nan 8.190 nan 0.000 0.436 225 R N 5.578 126.078 120.500 0.001 0.000 2.404 225 R HA 0.433 4.771 4.340 -0.003 0.000 0.291 225 R C -2.537 173.762 176.300 -0.002 0.000 1.025 225 R CA -2.318 53.786 56.100 0.006 0.000 0.991 225 R CB 1.183 31.491 30.300 0.013 0.000 1.053 225 R HN 0.415 nan 8.270 nan 0.000 0.479 226 P HA 0.193 nan 4.420 nan 0.000 0.268 226 P C -0.063 177.245 177.300 0.014 0.000 1.204 226 P CA 0.166 63.276 63.100 0.016 0.000 0.768 226 P CB 0.889 32.614 31.700 0.042 0.000 0.842 227 G N 3.013 111.820 108.800 0.012 0.000 2.315 227 G HA2 0.367 4.325 3.960 -0.003 0.000 0.294 227 G HA3 0.367 4.325 3.960 -0.003 0.000 0.294 227 G C -3.411 171.496 174.900 0.012 0.000 1.300 227 G CA -0.826 44.281 45.100 0.011 0.000 0.843 227 G HN 0.365 nan 8.290 nan 0.000 0.527 228 P HA 0.494 nan 4.420 nan 0.000 0.285 228 P C -0.446 176.865 177.300 0.019 0.000 1.259 228 P CA -0.347 62.763 63.100 0.017 0.000 0.794 228 P CB 1.831 33.539 31.700 0.014 0.000 0.940 229 V N 2.792 122.724 119.914 0.029 0.000 2.333 229 V HA 0.425 4.543 4.120 -0.003 0.000 0.274 229 V C 0.833 176.961 176.094 0.058 0.000 1.028 229 V CA -0.845 61.484 62.300 0.048 0.000 0.851 229 V CB 0.547 32.404 31.823 0.056 0.000 1.000 229 V HN 0.699 nan 8.190 nan 0.000 0.456 230 A N 4.465 127.315 122.820 0.050 0.000 2.409 230 A HA 0.699 5.017 4.320 -0.003 0.000 0.262 230 A C 0.780 178.387 177.584 0.038 0.000 1.113 230 A CA 0.050 52.098 52.037 0.020 0.000 0.790 230 A CB 0.318 19.300 19.000 -0.030 0.000 1.046 230 A HN 1.329 nan 8.150 nan 0.000 0.496 231 A N 3.700 126.537 122.820 0.028 0.000 2.492 231 A HA 0.567 4.884 4.320 -0.003 0.000 0.254 231 A C 0.726 178.280 177.584 -0.049 0.000 1.091 231 A CA 0.184 52.242 52.037 0.035 0.000 0.768 231 A CB -0.086 18.933 19.000 0.032 0.000 1.028 231 A HN 1.201 nan 8.150 nan 0.000 0.498 232 R N 1.437 121.878 120.500 -0.099 0.000 2.826 232 R HA 0.526 4.864 4.340 -0.003 0.000 0.269 232 R C -0.940 175.183 176.300 -0.294 0.000 1.031 232 R CA -1.041 54.906 56.100 -0.255 0.000 0.900 232 R CB 0.931 30.966 30.300 -0.441 0.000 1.318 232 R HN 0.567 nan 8.270 nan 0.000 0.447 233 R N 0.881 121.206 120.500 -0.292 0.000 2.198 233 R HA 0.255 4.593 4.340 -0.003 0.000 0.339 233 R C -1.302 174.855 176.300 -0.238 0.000 1.020 233 R CA -0.413 55.590 56.100 -0.161 0.000 0.864 233 R CB 0.581 30.834 30.300 -0.079 0.000 1.105 233 R HN 0.501 nan 8.270 nan 0.000 0.463 234 W N 4.096 125.393 121.300 -0.005 0.000 2.331 234 W HA 0.244 4.902 4.660 -0.002 0.000 0.306 234 W C -0.284 176.230 176.519 -0.008 0.000 1.162 234 W CA -0.544 56.797 57.345 -0.007 0.000 1.232 234 W CB 1.034 30.489 29.460 -0.007 0.000 1.235 234 W HN 0.305 nan 8.180 nan 0.000 0.479 235 D N 4.002 124.513 120.400 0.185 0.000 2.274 235 D HA 0.222 4.860 4.640 -0.003 0.000 0.239 235 D C -0.031 176.337 176.300 0.114 0.000 1.104 235 D CA -0.229 53.839 54.000 0.113 0.000 0.840 235 D CB 1.500 42.333 40.800 0.054 0.000 1.100 235 D HN 0.045 nan 8.370 nan 0.000 0.477 236 I N 2.303 122.922 120.570 0.081 0.000 2.353 236 I HA 0.122 4.290 4.170 -0.003 0.000 0.293 236 I C 1.020 177.144 176.117 0.013 0.000 0.992 236 I CA -0.523 60.805 61.300 0.047 0.000 1.268 236 I CB 0.834 38.851 38.000 0.028 0.000 1.387 236 I HN 0.192 nan 8.210 nan 0.000 0.478 237 E N 7.382 127.575 120.200 -0.012 0.000 2.345 237 E HA 0.292 4.640 4.350 -0.003 0.000 0.259 237 E C -2.284 174.280 176.600 -0.060 0.000 1.117 237 E CA -1.664 54.705 56.400 -0.051 0.000 0.913 237 E CB 0.052 29.693 29.700 -0.098 0.000 1.057 237 E HN 0.359 nan 8.360 nan 0.000 0.432 238 P HA -0.103 nan 4.420 nan 0.000 0.269 238 P C -0.557 176.689 177.300 -0.089 0.000 1.209 238 P CA 0.107 63.171 63.100 -0.059 0.000 0.776 238 P CB 0.493 32.166 31.700 -0.046 0.000 0.876 239 D N 2.680 123.062 120.400 -0.031 0.000 2.346 239 D HA 0.029 4.667 4.640 -0.003 0.000 0.260 239 D C 1.131 177.420 176.300 -0.018 0.000 1.252 239 D CA 0.003 53.989 54.000 -0.023 0.000 0.895 239 D CB 0.423 41.238 40.800 0.025 0.000 1.097 239 D HN 0.249 nan 8.370 nan 0.000 0.489 240 L N 2.973 124.139 121.223 -0.096 0.000 2.240 240 L HA -0.100 4.238 4.340 -0.003 0.000 0.211 240 L C 2.439 179.358 176.870 0.081 0.000 1.106 240 L CA 0.522 55.306 54.840 -0.093 0.000 0.793 240 L CB -0.397 41.487 42.059 -0.292 0.000 0.927 240 L HN 0.377 nan 8.230 nan 0.000 0.446 241 T N -0.014 114.572 114.554 0.055 0.000 2.684 241 T HA -0.163 4.185 4.350 -0.003 0.000 0.267 241 T C 1.717 176.482 174.700 0.109 0.000 1.036 241 T CA 1.642 63.787 62.100 0.075 0.000 1.148 241 T CB -0.224 68.668 68.868 0.039 0.000 0.863 241 T HN 0.296 nan 8.240 nan 0.000 0.436 242 N N 1.184 119.966 118.700 0.136 0.000 2.270 242 N HA 0.080 4.818 4.740 -0.003 0.000 0.181 242 N C 2.019 177.750 175.510 0.368 0.000 1.016 242 N CA 1.008 54.182 53.050 0.207 0.000 0.870 242 N CB -0.499 38.129 38.487 0.235 0.000 0.979 242 N HN 0.424 nan 8.380 nan 0.000 0.431 243 A N 0.516 123.547 122.820 0.351 0.000 2.019 243 A HA -0.063 4.255 4.320 -0.003 0.000 0.219 243 A C 2.317 180.160 177.584 0.432 0.000 1.164 243 A CA 0.985 53.302 52.037 0.467 0.000 0.644 243 A CB -0.553 18.709 19.000 0.437 0.000 0.805 243 A HN 0.106 nan 8.150 nan 0.000 0.449 244 V N -0.270 119.826 119.914 0.303 0.000 2.626 244 V HA -0.216 3.902 4.120 -0.003 0.000 0.252 244 V C 2.941 179.144 176.094 0.182 0.000 1.067 244 V CA 1.565 63.995 62.300 0.217 0.000 1.081 244 V CB -1.119 30.793 31.823 0.148 0.000 0.686 244 V HN 0.616 nan 8.190 nan 0.000 0.468 245 A N 0.006 122.922 122.820 0.160 0.000 1.877 245 A HA -0.174 4.144 4.320 -0.003 0.000 0.216 245 A C 1.994 179.725 177.584 0.245 0.000 1.186 245 A CA 1.782 53.876 52.037 0.095 0.000 0.620 245 A CB -0.686 18.250 19.000 -0.106 0.000 0.822 245 A HN 0.464 nan 8.150 nan 0.000 0.443 246 F N 0.115 120.317 119.950 0.421 0.000 2.134 246 F HA -0.110 4.415 4.527 -0.004 0.000 0.299 246 F C 2.105 177.973 175.800 0.114 0.000 1.097 246 F CA 1.355 59.517 58.000 0.269 0.000 1.264 246 F CB -0.583 38.540 39.000 0.204 0.000 1.001 246 F HN 0.084 nan 8.300 nan 0.000 0.479 247 L N -1.097 120.289 121.223 0.271 0.000 2.141 247 L HA -0.187 4.151 4.340 -0.003 0.000 0.209 247 L C 2.401 179.314 176.870 0.070 0.000 1.094 247 L CA 0.983 55.895 54.840 0.120 0.000 0.763 247 L CB -0.881 41.221 42.059 0.072 0.000 0.908 247 L HN 0.033 nan 8.230 nan 0.000 0.437 248 S N 0.225 115.988 115.700 0.105 0.000 2.400 248 S HA -0.209 4.259 4.470 -0.003 0.000 0.232 248 S C 2.246 176.897 174.600 0.085 0.000 1.025 248 S CA 1.206 59.453 58.200 0.078 0.000 0.993 248 S CB -0.307 62.959 63.200 0.111 0.000 0.808 248 S HN 0.521 nan 8.310 nan 0.000 0.478 249 A N 1.498 124.376 122.820 0.096 0.000 1.933 249 A HA 0.066 4.384 4.320 -0.003 0.000 0.218 249 A C 2.350 179.932 177.584 -0.004 0.000 1.175 249 A CA 1.704 53.752 52.037 0.018 0.000 0.628 249 A CB -0.992 17.905 19.000 -0.172 0.000 0.814 249 A HN 0.532 nan 8.150 nan 0.000 0.444 250 A N -0.598 122.217 122.820 -0.009 0.000 1.930 250 A HA 0.068 4.386 4.320 -0.003 0.000 0.217 250 A C 2.209 179.782 177.584 -0.019 0.000 1.175 250 A CA 1.601 53.625 52.037 -0.023 0.000 0.627 250 A CB -0.830 18.149 19.000 -0.035 0.000 0.815 250 A HN 0.367 nan 8.150 nan 0.000 0.443 251 V N 0.372 120.267 119.914 -0.031 0.000 2.255 251 V HA -0.257 3.861 4.120 -0.003 0.000 0.247 251 V C 2.692 178.798 176.094 0.019 0.000 1.051 251 V CA 2.170 64.425 62.300 -0.076 0.000 1.018 251 V CB -1.073 30.651 31.823 -0.165 0.000 0.641 251 V HN 0.618 nan 8.190 nan 0.000 0.445 252 V N -0.525 119.442 119.914 0.088 0.000 3.041 252 V HA -0.021 4.097 4.120 -0.003 0.000 0.260 252 V C 2.036 178.208 176.094 0.129 0.000 1.105 252 V CA 1.765 64.179 62.300 0.189 0.000 1.125 252 V CB -0.357 31.570 31.823 0.173 0.000 0.730 252 V HN 0.629 nan 8.190 nan 0.000 0.479 253 S N -0.555 115.187 115.700 0.070 0.000 2.540 253 S HA 0.425 4.892 4.470 -0.003 0.000 0.218 253 S C 1.721 176.342 174.600 0.034 0.000 0.977 253 S CA 0.604 58.828 58.200 0.041 0.000 0.918 253 S CB 0.277 63.482 63.200 0.008 0.000 0.806 253 S HN 1.765 nan 8.310 nan 0.000 0.496 254 G N 0.599 109.424 108.800 0.042 0.000 2.168 254 G HA2 -0.128 3.830 3.960 -0.003 0.000 0.257 254 G HA3 -0.128 3.830 3.960 -0.003 0.000 0.257 254 G C 0.502 175.403 174.900 0.001 0.000 0.997 254 G CA 0.184 45.300 45.100 0.027 0.000 0.708 254 G HN 1.052 nan 8.290 nan 0.000 0.520 255 G N -1.628 107.167 108.800 -0.009 0.000 2.782 255 G HA2 0.738 4.696 3.960 -0.003 0.000 0.201 255 G HA3 0.738 4.696 3.960 -0.003 0.000 0.201 255 G C -0.364 174.516 174.900 -0.034 0.000 1.374 255 G CA 0.401 45.487 45.100 -0.023 0.000 1.039 255 G HN 0.824 nan 8.290 nan 0.000 0.576 256 T N -0.397 114.132 114.554 -0.040 0.000 3.011 256 T HA 0.514 4.862 4.350 -0.003 0.000 0.303 256 T C -1.081 173.591 174.700 -0.047 0.000 0.997 256 T CA -0.236 61.836 62.100 -0.047 0.000 1.007 256 T CB 1.787 70.628 68.868 -0.046 0.000 1.017 256 T HN 0.358 nan 8.240 nan 0.000 0.443 257 V N 3.736 123.622 119.914 -0.046 0.000 2.604 257 V HA 0.559 4.677 4.120 -0.003 0.000 0.305 257 V C -0.258 175.811 176.094 -0.042 0.000 1.043 257 V CA -1.039 61.240 62.300 -0.034 0.000 0.888 257 V CB 2.095 33.918 31.823 -0.000 0.000 0.995 257 V HN 0.718 nan 8.190 nan 0.000 0.429 258 R N 4.659 125.137 120.500 -0.037 0.000 2.338 258 R HA 0.595 4.932 4.340 -0.003 0.000 0.317 258 R C -1.056 175.242 176.300 -0.004 0.000 0.968 258 R CA -0.685 55.395 56.100 -0.033 0.000 0.849 258 R CB 1.473 31.755 30.300 -0.029 0.000 1.128 258 R HN 0.471 nan 8.270 nan 0.000 0.448 259 I N 3.612 124.205 120.570 0.039 0.000 2.297 259 I HA 0.090 4.258 4.170 -0.003 0.000 0.291 259 I C 0.989 177.193 176.117 0.145 0.000 1.033 259 I CA -0.385 60.988 61.300 0.122 0.000 1.253 259 I CB 0.801 38.983 38.000 0.304 0.000 1.396 259 I HN 0.655 nan 8.210 nan 0.000 0.476 260 T N 1.303 115.906 114.554 0.083 0.000 2.919 260 T HA 0.437 4.785 4.350 -0.003 0.000 0.302 260 T C 1.121 175.890 174.700 0.116 0.000 1.031 260 T CA 0.153 62.303 62.100 0.083 0.000 1.127 260 T CB 1.364 70.254 68.868 0.036 0.000 0.952 260 T HN 1.084 nan 8.240 nan 0.000 0.540 261 G N 1.701 110.576 108.800 0.125 0.000 2.198 261 G HA2 -0.226 3.732 3.960 -0.003 0.000 0.260 261 G HA3 -0.226 3.732 3.960 -0.003 0.000 0.260 261 G C 0.072 175.061 174.900 0.149 0.000 1.025 261 G CA -0.080 45.086 45.100 0.111 0.000 0.769 261 G HN 0.984 nan 8.290 nan 0.000 0.507 262 W N 2.145 123.470 121.300 0.041 0.000 2.443 262 W HA 0.306 4.964 4.660 -0.003 0.000 0.335 262 W C -1.524 175.033 176.519 0.063 0.000 1.382 262 W CA -0.522 56.858 57.345 0.058 0.000 1.305 262 W CB 0.475 29.979 29.460 0.073 0.000 1.283 262 W HN 0.271 nan 8.180 nan 0.000 0.567 263 P HA 0.059 nan 4.420 nan 0.000 0.276 263 P C 0.583 177.936 177.300 0.088 0.000 1.243 263 P CA 0.020 63.085 63.100 -0.058 0.000 0.768 263 P CB 1.062 32.664 31.700 -0.162 0.000 0.856 264 R N 2.209 122.779 120.500 0.116 0.000 2.153 264 R HA 0.039 4.377 4.340 -0.003 0.000 0.218 264 R C 0.354 176.697 176.300 0.071 0.000 1.072 264 R CA 0.644 56.813 56.100 0.114 0.000 0.990 264 R CB 0.020 30.349 30.300 0.048 0.000 0.889 264 R HN 0.402 nan 8.270 nan 0.000 0.452 265 V N 1.261 121.199 119.914 0.041 0.000 2.293 265 V HA 0.334 4.451 4.120 -0.003 0.000 0.275 265 V C -0.953 175.149 176.094 0.014 0.000 1.021 265 V CA -0.305 62.012 62.300 0.028 0.000 0.815 265 V CB 1.316 33.151 31.823 0.019 0.000 1.025 265 V HN 0.101 nan 8.190 nan 0.000 0.448 266 S N 3.805 119.516 115.700 0.018 0.000 2.532 266 S HA 0.549 5.017 4.470 -0.003 0.000 0.301 266 S C 0.599 175.208 174.600 0.016 0.000 1.083 266 S CA -0.119 58.076 58.200 -0.008 0.000 1.025 266 S CB 1.993 65.169 63.200 -0.041 0.000 1.056 266 S HN 1.334 nan 8.310 nan 0.000 0.494 267 V N 1.606 121.525 119.914 0.008 0.000 3.649 267 V HA 0.349 4.467 4.120 -0.003 0.000 0.275 267 V C 0.386 176.497 176.094 0.027 0.000 1.281 267 V CA 0.231 62.548 62.300 0.029 0.000 1.143 267 V CB -1.108 30.737 31.823 0.037 0.000 0.892 267 V HN 0.724 nan 8.190 nan 0.000 0.441 268 Q N 1.707 121.509 119.800 0.004 0.000 2.226 268 Q HA 0.419 4.757 4.340 -0.003 0.000 0.256 268 Q C -2.324 173.712 176.000 0.060 0.000 0.962 268 Q CA -2.216 53.590 55.803 0.005 0.000 0.887 268 Q CB 1.676 30.372 28.738 -0.070 0.000 1.282 268 Q HN 0.160 nan 8.270 nan 0.000 0.449 269 P HA 0.047 nan 4.420 nan 0.000 0.228 269 P C -0.024 177.406 177.300 0.216 0.000 1.748 269 P CA 0.270 63.489 63.100 0.199 0.000 0.909 269 P CB -0.276 31.557 31.700 0.222 0.000 1.882 270 A N 0.459 123.385 122.820 0.177 0.000 1.986 270 A HA -0.231 4.087 4.320 -0.003 0.000 0.220 270 A C 2.148 179.928 177.584 0.327 0.000 1.171 270 A CA 1.651 53.872 52.037 0.307 0.000 0.640 270 A CB -0.928 18.277 19.000 0.342 0.000 0.811 270 A HN 0.197 nan 8.150 nan 0.000 0.451 271 D N -1.059 119.474 120.400 0.222 0.000 2.087 271 D HA -0.178 4.460 4.640 -0.003 0.000 0.192 271 D C 1.699 178.065 176.300 0.111 0.000 0.993 271 D CA 1.671 55.752 54.000 0.134 0.000 0.828 271 D CB -0.290 40.533 40.800 0.039 0.000 0.968 271 D HN 0.683 nan 8.370 nan 0.000 0.448 272 H N 0.015 119.147 119.070 0.103 0.000 2.321 272 H HA -0.133 4.421 4.556 -0.003 0.000 0.295 272 H C 2.298 177.674 175.328 0.081 0.000 1.102 272 H CA 1.505 57.602 56.048 0.081 0.000 1.266 272 H CB -0.092 29.718 29.762 0.081 0.000 1.363 272 H HN 0.146 nan 8.280 nan 0.000 0.492 273 I N 0.058 120.783 120.570 0.257 0.000 2.127 273 I HA -0.289 3.879 4.170 -0.003 0.000 0.241 273 I C 2.115 178.303 176.117 0.118 0.000 1.075 273 I CA 1.258 62.678 61.300 0.199 0.000 1.334 273 I CB -0.257 37.918 38.000 0.293 0.000 1.040 273 I HN 0.215 nan 8.210 nan 0.000 0.405 274 L N 0.063 121.353 121.223 0.112 0.000 2.131 274 L HA -0.202 4.136 4.340 -0.003 0.000 0.210 274 L C 2.773 179.630 176.870 -0.021 0.000 1.092 274 L CA 1.183 56.021 54.840 -0.004 0.000 0.759 274 L CB -0.894 41.149 42.059 -0.027 0.000 0.903 274 L HN 0.281 nan 8.230 nan 0.000 0.435 275 A N 0.678 123.505 122.820 0.012 0.000 1.902 275 A HA -0.191 4.127 4.320 -0.003 0.000 0.217 275 A C 2.210 179.776 177.584 -0.031 0.000 1.181 275 A CA 1.513 53.545 52.037 -0.009 0.000 0.623 275 A CB -0.612 18.388 19.000 -0.001 0.000 0.818 275 A HN 0.352 nan 8.150 nan 0.000 0.443 276 I N -0.184 120.375 120.570 -0.020 0.000 2.163 276 I HA -0.276 3.892 4.170 -0.003 0.000 0.243 276 I C 2.359 178.379 176.117 -0.161 0.000 1.085 276 I CA 1.180 62.432 61.300 -0.078 0.000 1.347 276 I CB -0.450 37.520 38.000 -0.049 0.000 1.044 276 I HN 0.303 nan 8.210 nan 0.000 0.408 277 L N 0.327 121.472 121.223 -0.129 0.000 2.083 277 L HA -0.191 4.147 4.340 -0.003 0.000 0.209 277 L C 2.769 179.542 176.870 -0.162 0.000 1.083 277 L CA 1.446 56.186 54.840 -0.166 0.000 0.752 277 L CB -0.710 41.267 42.059 -0.136 0.000 0.899 277 L HN 0.279 nan 8.230 nan 0.000 0.433 278 R N -0.239 120.190 120.500 -0.118 0.000 2.148 278 R HA -0.145 4.193 4.340 -0.003 0.000 0.227 278 R C 2.127 178.374 176.300 -0.088 0.000 1.103 278 R CA 0.763 56.806 56.100 -0.094 0.000 0.983 278 R CB -0.244 30.016 30.300 -0.066 0.000 0.874 278 R HN 0.521 nan 8.270 nan 0.000 0.451 279 Q N 0.303 120.040 119.800 -0.105 0.000 2.170 279 Q HA -0.117 4.221 4.340 -0.003 0.000 0.203 279 Q C 1.271 177.207 176.000 -0.107 0.000 0.976 279 Q CA 1.035 56.783 55.803 -0.092 0.000 0.858 279 Q CB 0.110 28.777 28.738 -0.118 0.000 0.907 279 Q HN 0.143 nan 8.270 nan 0.000 0.433 280 L N 0.156 121.262 121.223 -0.196 0.000 2.591 280 L HA 0.042 4.380 4.340 -0.003 0.000 0.228 280 L C -0.090 176.715 176.870 -0.108 0.000 1.133 280 L CA 0.848 55.567 54.840 -0.201 0.000 0.880 280 L CB -0.369 41.416 42.059 -0.457 0.000 1.033 280 L HN 0.257 nan 8.230 nan 0.000 0.450 281 N N -2.137 116.513 118.700 -0.082 0.000 2.829 281 N HA -0.174 4.564 4.740 -0.003 0.000 0.250 281 N C 0.410 175.876 175.510 -0.074 0.000 1.090 281 N CA 0.417 53.438 53.050 -0.049 0.000 0.781 281 N CB -1.231 37.255 38.487 -0.003 0.000 1.124 281 N HN 0.384 nan 8.380 nan 0.000 0.559 282 A N 0.139 122.886 122.820 -0.122 0.000 2.531 282 A HA 0.380 4.698 4.320 -0.003 0.000 0.236 282 A C 0.641 178.162 177.584 -0.104 0.000 1.062 282 A CA 0.206 52.168 52.037 -0.124 0.000 0.760 282 A CB 0.546 19.451 19.000 -0.157 0.000 0.995 282 A HN 0.131 nan 8.150 nan 0.000 0.501 283 V N 4.438 124.294 119.914 -0.097 0.000 2.348 283 V HA 0.220 4.338 4.120 -0.003 0.000 0.270 283 V C 0.351 176.364 176.094 -0.136 0.000 1.037 283 V CA -0.258 61.984 62.300 -0.097 0.000 0.872 283 V CB 1.011 32.790 31.823 -0.074 0.000 1.002 283 V HN 0.674 nan 8.190 nan 0.000 0.464 284 V N 6.796 126.613 119.914 -0.162 0.000 2.953 284 V HA 0.491 4.609 4.120 -0.003 0.000 0.304 284 V C 0.080 176.025 176.094 -0.248 0.000 1.073 284 V CA -0.301 61.850 62.300 -0.249 0.000 1.064 284 V CB 1.733 33.381 31.823 -0.292 0.000 1.047 284 V HN 0.613 nan 8.190 nan 0.000 0.478 285 I N 2.353 122.722 120.570 -0.334 0.000 2.702 285 I HA 0.217 4.385 4.170 -0.003 0.000 0.287 285 I C -1.068 174.864 176.117 -0.308 0.000 1.342 285 I CA -0.497 60.657 61.300 -0.245 0.000 1.063 285 I CB 1.941 39.859 38.000 -0.136 0.000 1.331 285 I HN 0.642 nan 8.210 nan 0.000 0.427 286 H N 5.247 124.266 119.070 -0.086 0.000 2.934 286 H HA 0.474 5.028 4.556 -0.004 0.000 0.273 286 H C 0.240 175.545 175.328 -0.039 0.000 1.121 286 H CA 0.006 56.015 56.048 -0.066 0.000 1.451 286 H CB 1.239 30.978 29.762 -0.037 0.000 1.469 286 H HN 0.712 nan 8.280 nan 0.000 0.476 287 A N 2.824 125.672 122.820 0.046 0.000 2.517 287 A HA 0.131 4.448 4.320 -0.003 0.000 0.280 287 A C 0.243 177.853 177.584 0.043 0.000 1.353 287 A CA -0.680 51.372 52.037 0.026 0.000 0.907 287 A CB 0.476 19.472 19.000 -0.007 0.000 1.495 287 A HN 0.575 nan 8.150 nan 0.000 0.506 288 D N 0.574 120.990 120.400 0.027 0.000 2.359 288 D HA 0.268 4.906 4.640 -0.003 0.000 0.250 288 D C -0.038 176.285 176.300 0.037 0.000 1.264 288 D CA 0.983 55.001 54.000 0.030 0.000 0.911 288 D CB -0.430 40.380 40.800 0.018 0.000 1.056 288 D HN 0.453 nan 8.370 nan 0.000 0.499 289 S N 1.385 117.117 115.700 0.053 0.000 3.682 289 S HA -0.165 4.303 4.470 -0.003 0.000 0.354 289 S C 0.031 174.678 174.600 0.078 0.000 1.034 289 S CA 0.997 59.235 58.200 0.064 0.000 1.084 289 S CB -1.656 61.571 63.200 0.045 0.000 0.903 289 S HN 0.795 nan 8.310 nan 0.000 0.470 290 S N -0.646 115.108 115.700 0.090 0.000 2.588 290 S HA 0.752 5.220 4.470 -0.003 0.000 0.269 290 S C -1.241 173.405 174.600 0.076 0.000 1.157 290 S CA -1.136 57.119 58.200 0.092 0.000 0.824 290 S CB 1.659 64.883 63.200 0.040 0.000 1.126 290 S HN 0.706 nan 8.310 nan 0.000 0.464 291 L N 1.728 122.973 121.223 0.037 0.000 2.282 291 L HA 0.678 5.016 4.340 -0.003 0.000 0.288 291 L C -0.251 176.489 176.870 -0.217 0.000 1.033 291 L CA -0.003 54.709 54.840 -0.213 0.000 0.807 291 L CB 1.239 42.900 42.059 -0.664 0.000 1.209 291 L HN 0.899 nan 8.230 nan 0.000 0.423 292 E N 4.296 124.350 120.200 -0.244 0.000 2.145 292 E HA 0.482 4.830 4.350 -0.003 0.000 0.270 292 E C -1.705 174.763 176.600 -0.219 0.000 0.906 292 E CA -0.712 55.580 56.400 -0.182 0.000 0.761 292 E CB 1.656 31.282 29.700 -0.123 0.000 1.116 292 E HN 0.521 nan 8.360 nan 0.000 0.408 293 V N 5.742 125.551 119.914 -0.176 0.000 2.417 293 V HA 0.407 4.525 4.120 -0.003 0.000 0.291 293 V C -0.185 175.844 176.094 -0.109 0.000 1.024 293 V CA -0.803 61.400 62.300 -0.161 0.000 0.861 293 V CB 1.513 33.241 31.823 -0.159 0.000 0.985 293 V HN 0.620 nan 8.190 nan 0.000 0.436 294 R N 3.680 124.120 120.500 -0.100 0.000 2.246 294 R HA 0.509 4.847 4.340 -0.003 0.000 0.332 294 R C 0.396 176.656 176.300 -0.067 0.000 0.974 294 R CA -0.408 55.649 56.100 -0.072 0.000 0.837 294 R CB 1.536 31.799 30.300 -0.062 0.000 1.145 294 R HN 0.818 nan 8.270 nan 0.000 0.467 295 G N 4.256 113.023 108.800 -0.055 0.000 2.527 295 G HA2 0.259 4.217 3.960 -0.003 0.000 0.248 295 G HA3 0.259 4.217 3.960 -0.003 0.000 0.248 295 G C -1.980 172.906 174.900 -0.024 0.000 1.231 295 G CA -0.755 44.314 45.100 -0.052 0.000 0.838 295 G HN 0.319 nan 8.290 nan 0.000 0.570 296 P HA 0.129 nan 4.420 nan 0.000 0.279 296 P C 1.113 178.453 177.300 0.067 0.000 1.282 296 P CA 0.007 63.124 63.100 0.028 0.000 0.788 296 P CB 0.779 32.508 31.700 0.048 0.000 1.139 297 T N -3.722 110.872 114.554 0.066 0.000 3.035 297 T HA 0.279 4.627 4.350 -0.003 0.000 0.268 297 T C 0.861 175.616 174.700 0.092 0.000 1.109 297 T CA 0.855 62.993 62.100 0.063 0.000 1.119 297 T CB -0.799 68.093 68.868 0.040 0.000 0.900 297 T HN 0.755 nan 8.240 nan 0.000 0.503 298 G N -0.068 108.820 108.800 0.148 0.000 2.356 298 G HA2 0.502 4.460 3.960 -0.003 0.000 0.294 298 G HA3 0.502 4.460 3.960 -0.003 0.000 0.294 298 G C -2.063 173.006 174.900 0.282 0.000 1.423 298 G CA -0.665 44.531 45.100 0.161 0.000 0.806 298 G HN 0.733 nan 8.290 nan 0.000 0.527 299 Y N -0.953 119.378 120.300 0.051 0.000 2.620 299 Y HA 0.698 5.246 4.550 -0.004 0.000 0.331 299 Y C -0.982 174.969 175.900 0.086 0.000 1.173 299 Y CA -1.278 56.866 58.100 0.073 0.000 1.076 299 Y CB 0.846 39.361 38.460 0.091 0.000 1.336 299 Y HN 0.808 nan 8.280 nan 0.000 0.459 300 D N 0.850 121.346 120.400 0.160 0.000 2.588 300 D HA 0.565 5.203 4.640 -0.003 0.000 0.268 300 D C 0.562 176.955 176.300 0.155 0.000 1.176 300 D CA -0.442 53.591 54.000 0.054 0.000 1.080 300 D CB 0.396 41.220 40.800 0.040 0.000 1.186 300 D HN 1.008 nan 8.370 nan 0.000 0.619 301 G N -1.432 107.381 108.800 0.023 0.000 2.559 301 G HA2 0.440 4.398 3.960 -0.003 0.000 0.235 301 G HA3 0.440 4.398 3.960 -0.003 0.000 0.235 301 G C -0.581 174.346 174.900 0.046 0.000 1.266 301 G CA -0.300 44.740 45.100 -0.099 0.000 0.847 301 G HN 0.472 nan 8.290 nan 0.000 0.583 302 F N -1.259 118.742 119.950 0.085 0.000 2.613 302 F HA 0.619 5.143 4.527 -0.004 0.000 0.314 302 F C -1.103 174.729 175.800 0.054 0.000 1.075 302 F CA -1.940 56.103 58.000 0.070 0.000 0.945 302 F CB 1.728 40.776 39.000 0.079 0.000 1.310 302 F HN 0.206 nan 8.300 nan 0.000 0.467 303 D N 1.813 122.372 120.400 0.264 0.000 2.303 303 D HA 0.487 5.125 4.640 -0.003 0.000 0.236 303 D C -1.145 175.299 176.300 0.240 0.000 1.068 303 D CA -0.217 53.897 54.000 0.190 0.000 0.830 303 D CB 2.240 43.103 40.800 0.105 0.000 1.109 303 D HN 0.568 nan 8.370 nan 0.000 0.496 304 V N 2.151 122.219 119.914 0.256 0.000 2.588 304 V HA 0.281 4.399 4.120 -0.003 0.000 0.304 304 V C -1.314 174.863 176.094 0.138 0.000 1.042 304 V CA -0.751 61.666 62.300 0.195 0.000 0.877 304 V CB 2.311 34.258 31.823 0.208 0.000 0.996 304 V HN 0.393 nan 8.190 nan 0.000 0.425 305 D N 5.152 125.618 120.400 0.110 0.000 2.274 305 D HA 0.325 4.963 4.640 -0.003 0.000 0.239 305 D C 0.355 176.707 176.300 0.087 0.000 1.104 305 D CA -0.016 54.040 54.000 0.094 0.000 0.840 305 D CB 1.578 42.431 40.800 0.089 0.000 1.100 305 D HN 0.543 nan 8.370 nan 0.000 0.477 306 L N 3.867 125.134 121.223 0.074 0.000 2.769 306 L HA 0.246 4.584 4.340 -0.003 0.000 0.240 306 L C 2.078 178.980 176.870 0.053 0.000 1.163 306 L CA -0.268 54.603 54.840 0.052 0.000 0.962 306 L CB 0.120 42.207 42.059 0.046 0.000 1.258 306 L HN 0.289 nan 8.230 nan 0.000 0.513 307 R N 1.361 121.908 120.500 0.078 0.000 2.139 307 R HA -0.173 4.165 4.340 -0.003 0.000 0.243 307 R C 2.008 178.285 176.300 -0.038 0.000 1.145 307 R CA 1.780 57.943 56.100 0.105 0.000 0.976 307 R CB 0.011 30.343 30.300 0.053 0.000 0.866 307 R HN 0.379 nan 8.270 nan 0.000 0.449 308 A N -0.589 122.157 122.820 -0.124 0.000 2.169 308 A HA 0.140 4.458 4.320 -0.003 0.000 0.210 308 A C 0.713 178.130 177.584 -0.279 0.000 1.168 308 A CA 0.541 52.417 52.037 -0.268 0.000 0.813 308 A CB 0.614 19.367 19.000 -0.411 0.000 0.861 308 A HN 0.195 nan 8.150 nan 0.000 0.481 309 V N -3.621 116.198 119.914 -0.159 0.000 2.656 309 V HA 0.538 4.656 4.120 -0.003 0.000 0.312 309 V C 1.077 177.185 176.094 0.024 0.000 1.181 309 V CA -0.048 62.229 62.300 -0.038 0.000 1.250 309 V CB -0.508 31.287 31.823 -0.048 0.000 1.468 309 V HN 0.219 nan 8.190 nan 0.000 0.651 310 G N 2.175 111.003 108.800 0.048 0.000 2.503 310 G HA2 -0.282 3.676 3.960 -0.003 0.000 0.221 310 G HA3 -0.282 3.676 3.960 -0.003 0.000 0.221 310 G C 1.261 176.160 174.900 -0.002 0.000 1.131 310 G CA 1.317 46.437 45.100 0.033 0.000 0.756 310 G HN 0.847 nan 8.290 nan 0.000 0.572 311 E N 0.767 120.996 120.200 0.048 0.000 2.331 311 E HA -0.106 4.242 4.350 -0.003 0.000 0.199 311 E C 2.119 178.708 176.600 -0.018 0.000 1.008 311 E CA 0.649 57.054 56.400 0.007 0.000 0.843 311 E CB -0.403 29.322 29.700 0.041 0.000 0.761 311 E HN 0.516 nan 8.360 nan 0.000 0.507 312 L N 0.957 122.182 121.223 0.004 0.000 2.509 312 L HA 0.029 4.367 4.340 -0.003 0.000 0.222 312 L C 2.130 179.001 176.870 0.002 0.000 1.123 312 L CA 0.649 55.493 54.840 0.007 0.000 0.856 312 L CB -0.327 41.750 42.059 0.031 0.000 0.985 312 L HN 0.069 nan 8.230 nan 0.000 0.456 313 T N 0.880 115.427 114.554 -0.011 0.000 2.665 313 T HA -0.129 4.218 4.350 -0.003 0.000 0.268 313 T C -0.495 174.213 174.700 0.014 0.000 1.035 313 T CA 1.581 63.681 62.100 -0.001 0.000 1.151 313 T CB -1.069 67.775 68.868 -0.041 0.000 0.862 313 T HN 0.250 nan 8.240 nan 0.000 0.438 314 P HA 0.019 nan 4.420 nan 0.000 0.216 314 P C 1.750 179.059 177.300 0.015 0.000 1.153 314 P CA 1.034 64.145 63.100 0.019 0.000 0.848 314 P CB -0.127 31.562 31.700 -0.018 0.000 0.787 315 S N -0.859 114.832 115.700 -0.016 0.000 2.383 315 S HA -0.081 4.387 4.470 -0.003 0.000 0.227 315 S C 1.958 176.583 174.600 0.043 0.000 1.026 315 S CA 1.042 59.236 58.200 -0.010 0.000 0.981 315 S CB -1.061 62.130 63.200 -0.015 0.000 0.818 315 S HN -0.052 nan 8.310 nan 0.000 0.472 316 V N 1.851 121.802 119.914 0.063 0.000 2.453 316 V HA -0.110 4.007 4.120 -0.003 0.000 0.247 316 V C 2.606 178.822 176.094 0.203 0.000 1.048 316 V CA 1.454 63.829 62.300 0.126 0.000 1.049 316 V CB -1.156 30.736 31.823 0.116 0.000 0.672 316 V HN 0.510 nan 8.190 nan 0.000 0.457 317 A N 0.346 123.251 122.820 0.143 0.000 1.917 317 A HA -0.211 4.107 4.320 -0.003 0.000 0.219 317 A C 2.457 180.127 177.584 0.144 0.000 1.182 317 A CA 2.356 54.476 52.037 0.140 0.000 0.633 317 A CB -0.876 18.192 19.000 0.114 0.000 0.819 317 A HN 0.576 nan 8.150 nan 0.000 0.448 318 A N -0.206 122.678 122.820 0.107 0.000 1.865 318 A HA -0.128 4.190 4.320 -0.003 0.000 0.217 318 A C 2.188 179.855 177.584 0.138 0.000 1.191 318 A CA 1.634 53.710 52.037 0.065 0.000 0.623 318 A CB -0.754 18.226 19.000 -0.033 0.000 0.826 318 A HN 0.498 nan 8.150 nan 0.000 0.444 319 L N -0.892 120.447 121.223 0.194 0.000 2.043 319 L HA -0.293 4.044 4.340 -0.003 0.000 0.212 319 L C 3.116 180.268 176.870 0.471 0.000 1.075 319 L CA 1.348 56.380 54.840 0.320 0.000 0.752 319 L CB -0.608 41.598 42.059 0.245 0.000 0.891 319 L HN 0.493 nan 8.230 nan 0.000 0.432 320 A N -0.226 122.838 122.820 0.408 0.000 1.898 320 A HA -0.134 4.184 4.320 -0.003 0.000 0.216 320 A C 2.489 180.113 177.584 0.068 0.000 1.181 320 A CA 1.583 53.716 52.037 0.160 0.000 0.620 320 A CB -0.668 18.294 19.000 -0.064 0.000 0.819 320 A HN 0.416 nan 8.150 nan 0.000 0.442 321 A N -0.641 122.233 122.820 0.090 0.000 2.070 321 A HA 0.081 4.399 4.320 -0.003 0.000 0.220 321 A C 1.758 179.368 177.584 0.043 0.000 1.159 321 A CA 1.216 53.288 52.037 0.058 0.000 0.656 321 A CB -0.430 18.622 19.000 0.087 0.000 0.800 321 A HN 0.463 nan 8.150 nan 0.000 0.453 322 L N -0.580 120.693 121.223 0.082 0.000 2.700 322 L HA 0.280 4.618 4.340 -0.003 0.000 0.234 322 L C 1.237 178.040 176.870 -0.112 0.000 1.156 322 L CA -0.272 54.593 54.840 0.042 0.000 0.946 322 L CB -0.385 41.747 42.059 0.123 0.000 1.216 322 L HN 0.376 nan 8.230 nan 0.000 0.493 323 A N 0.357 123.063 122.820 -0.190 0.000 2.346 323 A HA 0.286 4.604 4.320 -0.003 0.000 0.255 323 A C 0.873 178.240 177.584 -0.360 0.000 1.113 323 A CA -0.075 51.642 52.037 -0.535 0.000 0.798 323 A CB 0.154 18.996 19.000 -0.263 0.000 1.073 323 A HN 0.387 nan 8.150 nan 0.000 0.502 324 S N 0.564 116.050 115.700 -0.357 0.000 2.558 324 S HA 0.248 4.716 4.470 -0.003 0.000 0.293 324 S C -2.582 171.945 174.600 -0.122 0.000 1.292 324 S CA -0.719 57.368 58.200 -0.188 0.000 1.063 324 S CB -0.484 62.637 63.200 -0.133 0.000 0.831 324 S HN 0.464 nan 8.310 nan 0.000 0.499 325 P HA 0.247 nan 4.420 nan 0.000 0.262 325 P C 1.213 178.483 177.300 -0.050 0.000 1.182 325 P CA 1.305 64.370 63.100 -0.058 0.000 0.761 325 P CB 0.152 31.827 31.700 -0.041 0.000 0.795 326 G N 1.897 110.669 108.800 -0.046 0.000 2.254 326 G HA2 -0.233 3.725 3.960 -0.003 0.000 0.225 326 G HA3 -0.233 3.725 3.960 -0.003 0.000 0.225 326 G C 0.383 175.254 174.900 -0.049 0.000 1.003 326 G CA -0.103 44.973 45.100 -0.040 0.000 0.622 326 G HN 0.568 nan 8.290 nan 0.000 0.507 327 S N 0.193 115.854 115.700 -0.066 0.000 2.549 327 S HA 0.438 4.906 4.470 -0.003 0.000 0.286 327 S C 0.395 174.940 174.600 -0.092 0.000 1.314 327 S CA 0.269 58.423 58.200 -0.077 0.000 1.062 327 S CB 1.849 64.990 63.200 -0.098 0.000 0.865 327 S HN 0.924 nan 8.310 nan 0.000 0.498 328 V N 3.447 123.305 119.914 -0.092 0.000 2.357 328 V HA 0.389 4.507 4.120 -0.003 0.000 0.284 328 V C 0.003 175.999 176.094 -0.163 0.000 1.018 328 V CA -0.591 61.646 62.300 -0.105 0.000 0.841 328 V CB 1.313 33.097 31.823 -0.064 0.000 0.991 328 V HN 0.828 nan 8.190 nan 0.000 0.437 329 S N 5.013 120.563 115.700 -0.250 0.000 2.475 329 S HA 0.679 5.147 4.470 -0.003 0.000 0.298 329 S C -0.263 174.210 174.600 -0.211 0.000 1.119 329 S CA -0.846 57.114 58.200 -0.399 0.000 1.085 329 S CB 1.401 64.080 63.200 -0.869 0.000 1.028 329 S HN 0.695 nan 8.310 nan 0.000 0.489 330 R N 1.630 122.058 120.500 -0.119 0.000 2.439 330 R HA 0.439 4.777 4.340 -0.003 0.000 0.310 330 R C -1.571 174.749 176.300 0.033 0.000 0.955 330 R CA -0.801 55.280 56.100 -0.032 0.000 0.853 330 R CB 0.977 31.274 30.300 -0.005 0.000 1.171 330 R HN 0.316 nan 8.270 nan 0.000 0.449 331 L N 2.996 124.242 121.223 0.038 0.000 2.259 331 L HA 0.287 4.625 4.340 -0.003 0.000 0.288 331 L C 0.148 177.048 176.870 0.050 0.000 1.051 331 L CA 0.230 55.116 54.840 0.077 0.000 0.824 331 L CB 1.083 43.187 42.059 0.073 0.000 1.206 331 L HN 0.686 nan 8.230 nan 0.000 0.429 332 S N 0.498 116.235 115.700 0.063 0.000 2.739 332 S HA 0.842 5.310 4.470 -0.003 0.000 0.306 332 S C 0.872 175.508 174.600 0.060 0.000 1.115 332 S CA -0.248 57.983 58.200 0.051 0.000 0.985 332 S CB 1.670 64.904 63.200 0.056 0.000 1.133 332 S HN 1.013 nan 8.310 nan 0.000 0.541 333 G N 0.175 109.015 108.800 0.068 0.000 2.143 333 G HA2 -0.215 3.743 3.960 -0.003 0.000 0.248 333 G HA3 -0.215 3.743 3.960 -0.003 0.000 0.248 333 G C 0.242 175.239 174.900 0.161 0.000 0.991 333 G CA 0.361 45.526 45.100 0.110 0.000 0.689 333 G HN 1.477 nan 8.290 nan 0.000 0.522 334 I N -3.261 117.323 120.570 0.023 0.000 3.707 334 I HA 0.698 4.866 4.170 -0.003 0.000 0.330 334 I C 1.776 177.720 176.117 -0.289 0.000 1.572 334 I CA 0.138 61.303 61.300 -0.226 0.000 1.104 334 I CB 0.032 37.910 38.000 -0.203 0.000 1.240 334 I HN 0.069 nan 8.210 nan 0.000 0.475 335 A N 2.424 125.211 122.820 -0.055 0.000 1.892 335 A HA -0.280 4.038 4.320 -0.003 0.000 0.218 335 A C 2.190 179.746 177.584 -0.046 0.000 1.188 335 A CA 2.555 54.581 52.037 -0.018 0.000 0.631 335 A CB -1.394 17.645 19.000 0.064 0.000 0.822 335 A HN 0.853 nan 8.150 nan 0.000 0.447 336 H N -2.092 116.991 119.070 0.022 0.000 2.518 336 H HA 0.030 4.584 4.556 -0.004 0.000 0.292 336 H C 1.467 176.845 175.328 0.084 0.000 1.068 336 H CA 1.061 57.148 56.048 0.064 0.000 1.275 336 H CB -0.361 29.442 29.762 0.068 0.000 1.375 336 H HN 0.320 nan 8.280 nan 0.000 0.563 337 L N 0.766 121.692 121.223 -0.496 0.000 2.056 337 L HA -0.013 4.325 4.340 -0.003 0.000 0.207 337 L C 1.459 178.247 176.870 -0.137 0.000 1.078 337 L CA 1.161 55.725 54.840 -0.459 0.000 0.749 337 L CB -0.552 41.219 42.059 -0.480 0.000 0.901 337 L HN 0.223 nan 8.230 nan 0.000 0.433 338 R N 0.227 120.671 120.500 -0.093 0.000 3.770 338 R HA 0.086 4.424 4.340 -0.003 0.000 0.170 338 R C 0.402 176.727 176.300 0.041 0.000 1.795 338 R CA 0.732 56.813 56.100 -0.031 0.000 1.228 338 R CB -1.019 29.262 30.300 -0.032 0.000 1.290 338 R HN 0.480 nan 8.270 nan 0.000 0.709 339 G N 0.017 108.876 108.800 0.098 0.000 4.199 339 G HA2 -0.096 3.862 3.960 -0.003 0.000 0.220 339 G HA3 -0.096 3.862 3.960 -0.003 0.000 0.220 339 G C -0.277 174.689 174.900 0.111 0.000 0.841 339 G CA -0.702 44.457 45.100 0.098 0.000 0.973 339 G HN 0.486 nan 8.290 nan 0.000 0.743 340 H N 0.310 119.352 119.070 -0.047 0.000 2.482 340 H HA 0.263 4.817 4.556 -0.004 0.000 0.344 340 H C 1.411 176.713 175.328 -0.042 0.000 1.151 340 H CA -0.060 55.961 56.048 -0.045 0.000 1.300 340 H CB 2.067 31.796 29.762 -0.056 0.000 1.494 340 H HN 0.125 nan 8.280 nan 0.000 0.542 341 E N 1.516 121.750 120.200 0.056 0.000 2.236 341 E HA -0.213 4.135 4.350 -0.003 0.000 0.205 341 E C 0.647 177.257 176.600 0.016 0.000 1.028 341 E CA 1.648 58.066 56.400 0.029 0.000 0.827 341 E CB -0.230 29.484 29.700 0.024 0.000 0.735 341 E HN 0.510 nan 8.360 nan 0.000 0.470 342 T N 0.429 114.995 114.554 0.020 0.000 3.154 342 T HA 0.133 4.481 4.350 -0.003 0.000 0.381 342 T C -0.883 173.761 174.700 -0.094 0.000 1.368 342 T CA -0.646 61.421 62.100 -0.054 0.000 1.155 342 T CB 0.159 68.991 68.868 -0.060 0.000 1.120 342 T HN 0.021 nan 8.240 nan 0.000 0.570 343 D N 3.923 124.259 120.400 -0.107 0.000 2.426 343 D HA 0.027 4.665 4.640 -0.003 0.000 0.271 343 D C 1.406 177.583 176.300 -0.205 0.000 1.376 343 D CA -0.064 53.859 54.000 -0.127 0.000 1.149 343 D CB 0.477 41.217 40.800 -0.101 0.000 1.118 343 D HN 0.591 nan 8.370 nan 0.000 0.529 344 R N 2.879 123.257 120.500 -0.202 0.000 2.235 344 R HA -0.027 4.311 4.340 -0.003 0.000 0.213 344 R C 1.906 178.105 176.300 -0.168 0.000 1.059 344 R CA 0.099 56.072 56.100 -0.210 0.000 0.997 344 R CB 0.192 30.386 30.300 -0.176 0.000 0.884 344 R HN 0.489 nan 8.270 nan 0.000 0.462 345 L N 0.480 121.614 121.223 -0.149 0.000 1.994 345 L HA -0.168 4.170 4.340 -0.003 0.000 0.208 345 L C 2.585 179.393 176.870 -0.103 0.000 1.071 345 L CA 1.745 56.519 54.840 -0.110 0.000 0.745 345 L CB -0.738 41.261 42.059 -0.101 0.000 0.892 345 L HN 0.219 nan 8.230 nan 0.000 0.431 346 A N -0.329 122.419 122.820 -0.120 0.000 1.898 346 A HA -0.124 4.194 4.320 -0.003 0.000 0.216 346 A C 2.501 179.993 177.584 -0.154 0.000 1.181 346 A CA 1.586 53.555 52.037 -0.113 0.000 0.620 346 A CB -0.634 18.304 19.000 -0.104 0.000 0.819 346 A HN 0.443 nan 8.150 nan 0.000 0.442 347 A N -0.102 122.556 122.820 -0.270 0.000 1.859 347 A HA -0.153 4.165 4.320 -0.003 0.000 0.217 347 A C 2.213 179.675 177.584 -0.203 0.000 1.198 347 A CA 1.703 53.490 52.037 -0.418 0.000 0.629 347 A CB -0.800 17.742 19.000 -0.764 0.000 0.830 347 A HN 0.473 nan 8.150 nan 0.000 0.446 348 L N -0.659 120.481 121.223 -0.139 0.000 2.042 348 L HA -0.187 4.151 4.340 -0.003 0.000 0.210 348 L C 2.950 179.798 176.870 -0.037 0.000 1.076 348 L CA 1.505 56.324 54.840 -0.036 0.000 0.749 348 L CB -0.358 41.714 42.059 0.023 0.000 0.893 348 L HN 0.390 nan 8.230 nan 0.000 0.432 349 S N -0.991 114.680 115.700 -0.049 0.000 2.353 349 S HA -0.214 4.253 4.470 -0.003 0.000 0.222 349 S C 1.962 176.532 174.600 -0.049 0.000 1.035 349 S CA 1.976 60.156 58.200 -0.033 0.000 1.025 349 S CB -0.264 62.914 63.200 -0.037 0.000 0.902 349 S HN 0.442 nan 8.310 nan 0.000 0.440 350 T N 2.036 116.549 114.554 -0.069 0.000 2.684 350 T HA -0.103 4.245 4.350 -0.003 0.000 0.267 350 T C 1.828 176.451 174.700 -0.129 0.000 1.036 350 T CA 1.268 63.327 62.100 -0.067 0.000 1.148 350 T CB -0.311 68.543 68.868 -0.024 0.000 0.863 350 T HN 0.299 nan 8.240 nan 0.000 0.436 351 E N 0.610 120.655 120.200 -0.257 0.000 2.072 351 E HA 0.060 4.408 4.350 -0.003 0.000 0.190 351 E C 2.276 178.686 176.600 -0.317 0.000 0.982 351 E CA 0.646 56.721 56.400 -0.542 0.000 0.803 351 E CB -0.413 28.480 29.700 -1.346 0.000 0.755 351 E HN 0.507 nan 8.360 nan 0.000 0.453 352 I N 1.895 122.404 120.570 -0.101 0.000 2.286 352 I HA -0.251 3.917 4.170 -0.003 0.000 0.248 352 I C 1.766 177.931 176.117 0.079 0.000 1.115 352 I CA 0.823 62.218 61.300 0.157 0.000 1.392 352 I CB -0.216 37.896 38.000 0.187 0.000 1.065 352 I HN 0.010 nan 8.210 nan 0.000 0.418 353 N N 0.792 119.501 118.700 0.016 0.000 2.331 353 N HA -0.092 4.646 4.740 -0.003 0.000 0.180 353 N C 1.845 177.360 175.510 0.009 0.000 1.019 353 N CA 0.875 53.933 53.050 0.013 0.000 0.881 353 N CB -0.239 38.245 38.487 -0.004 0.000 0.972 353 N HN 0.311 nan 8.380 nan 0.000 0.435 354 R N 0.332 120.825 120.500 -0.011 0.000 2.189 354 R HA 0.121 4.459 4.340 -0.003 0.000 0.223 354 R C 1.383 177.700 176.300 0.029 0.000 1.092 354 R CA 0.531 56.624 56.100 -0.010 0.000 0.989 354 R CB -0.022 30.248 30.300 -0.049 0.000 0.876 354 R HN 0.191 nan 8.270 nan 0.000 0.457 355 L N -0.672 120.593 121.223 0.070 0.000 2.611 355 L HA 0.221 4.559 4.340 -0.003 0.000 0.229 355 L C 0.875 177.787 176.870 0.070 0.000 1.137 355 L CA 0.345 55.245 54.840 0.099 0.000 0.901 355 L CB 0.357 42.525 42.059 0.181 0.000 1.098 355 L HN 0.462 nan 8.230 nan 0.000 0.456 356 G N -0.110 108.719 108.800 0.048 0.000 2.157 356 G HA2 -0.214 3.744 3.960 -0.003 0.000 0.239 356 G HA3 -0.214 3.744 3.960 -0.003 0.000 0.239 356 G C 0.537 175.459 174.900 0.036 0.000 0.982 356 G CA -0.118 45.003 45.100 0.035 0.000 0.650 356 G HN 0.501 nan 8.290 nan 0.000 0.527 357 G N -1.130 107.700 108.800 0.051 0.000 2.563 357 G HA2 0.593 4.551 3.960 -0.003 0.000 0.283 357 G HA3 0.593 4.551 3.960 -0.003 0.000 0.283 357 G C -0.132 174.785 174.900 0.029 0.000 1.309 357 G CA 0.505 45.634 45.100 0.048 0.000 1.022 357 G HN 0.744 nan 8.290 nan 0.000 0.501 358 T N -0.695 113.872 114.554 0.022 0.000 3.068 358 T HA 0.362 4.710 4.350 -0.003 0.000 0.364 358 T C -1.131 173.573 174.700 0.006 0.000 1.161 358 T CA -0.313 61.792 62.100 0.008 0.000 1.155 358 T CB 0.497 69.363 68.868 -0.003 0.000 1.060 358 T HN 0.596 nan 8.240 nan 0.000 0.513 359 C N 5.795 125.101 119.300 0.009 0.000 2.407 359 C HA 0.661 5.119 4.460 -0.003 0.000 0.328 359 C C -0.809 174.178 174.990 -0.004 0.000 1.137 359 C CA -0.757 58.265 59.018 0.007 0.000 1.390 359 C CB -0.266 27.490 27.740 0.026 0.000 1.989 359 C HN 0.739 nan 8.230 nan 0.000 0.432 360 R N 4.331 124.825 120.500 -0.010 0.000 2.494 360 R HA 0.415 4.753 4.340 -0.003 0.000 0.305 360 R C -0.214 176.077 176.300 -0.016 0.000 0.959 360 R CA -0.418 55.674 56.100 -0.013 0.000 0.864 360 R CB 1.354 31.647 30.300 -0.012 0.000 1.159 360 R HN 0.778 nan 8.270 nan 0.000 0.446 361 E N 1.576 121.764 120.200 -0.020 0.000 2.452 361 E HA -0.005 4.343 4.350 -0.003 0.000 0.261 361 E C 0.202 176.792 176.600 -0.015 0.000 0.987 361 E CA 0.684 57.071 56.400 -0.022 0.000 0.926 361 E CB 0.710 30.394 29.700 -0.027 0.000 0.934 361 E HN 0.589 nan 8.360 nan 0.000 0.452 362 T N -0.078 114.467 114.554 -0.014 0.000 2.940 362 T HA 0.351 4.699 4.350 -0.003 0.000 0.288 362 T C -2.105 172.592 174.700 -0.005 0.000 1.045 362 T CA -2.003 60.093 62.100 -0.007 0.000 1.018 362 T CB 1.567 70.432 68.868 -0.004 0.000 1.151 362 T HN 0.070 nan 8.240 nan 0.000 0.529 363 P HA -0.043 nan 4.420 nan 0.000 0.218 363 P C 0.818 178.123 177.300 0.008 0.000 1.148 363 P CA 1.052 64.155 63.100 0.005 0.000 0.822 363 P CB -0.014 31.691 31.700 0.010 0.000 0.784 364 D N -2.441 117.966 120.400 0.010 0.000 2.349 364 D HA 0.193 4.831 4.640 -0.003 0.000 0.214 364 D C 1.285 177.587 176.300 0.004 0.000 1.063 364 D CA 0.576 54.587 54.000 0.017 0.000 0.847 364 D CB 0.271 41.087 40.800 0.027 0.000 0.933 364 D HN 0.236 nan 8.370 nan 0.000 0.513 365 G N 0.040 108.834 108.800 -0.011 0.000 2.011 365 G HA2 0.157 4.115 3.960 -0.003 0.000 0.054 365 G HA3 0.157 4.115 3.960 -0.003 0.000 0.054 365 G C -1.604 173.283 174.900 -0.022 0.000 0.853 365 G CA -0.488 44.597 45.100 -0.026 0.000 1.135 365 G HN 0.172 nan 8.290 nan 0.000 0.372 366 L N 0.152 121.368 121.223 -0.012 0.000 2.409 366 L HA 0.799 5.137 4.340 -0.003 0.000 0.262 366 L C -0.758 176.104 176.870 -0.013 0.000 0.992 366 L CA -1.145 53.688 54.840 -0.012 0.000 0.817 366 L CB 2.471 44.525 42.059 -0.008 0.000 1.350 366 L HN 0.567 nan 8.230 nan 0.000 0.411 367 V N 3.929 123.832 119.914 -0.019 0.000 2.448 367 V HA 0.605 4.723 4.120 -0.003 0.000 0.295 367 V C -0.700 175.372 176.094 -0.036 0.000 1.025 367 V CA -0.247 62.033 62.300 -0.032 0.000 0.859 367 V CB 1.711 33.517 31.823 -0.028 0.000 0.988 367 V HN 0.585 nan 8.190 nan 0.000 0.431 368 I N 5.867 126.400 120.570 -0.061 0.000 2.410 368 I HA 0.396 4.564 4.170 -0.003 0.000 0.286 368 I C -0.087 175.989 176.117 -0.069 0.000 1.009 368 I CA -0.218 61.051 61.300 -0.052 0.000 1.111 368 I CB 2.209 40.182 38.000 -0.046 0.000 1.262 368 I HN 0.525 nan 8.210 nan 0.000 0.443 369 T N 5.543 120.071 114.554 -0.043 0.000 2.749 369 T HA 0.478 4.826 4.350 -0.003 0.000 0.287 369 T C 0.256 174.934 174.700 -0.038 0.000 0.970 369 T CA -0.517 61.555 62.100 -0.047 0.000 0.980 369 T CB 1.298 70.146 68.868 -0.033 0.000 0.924 369 T HN 0.629 nan 8.240 nan 0.000 0.456 370 A N 3.993 126.781 122.820 -0.053 0.000 2.444 370 A HA 0.544 4.862 4.320 -0.003 0.000 0.273 370 A C 0.820 178.386 177.584 -0.031 0.000 1.136 370 A CA -0.453 51.558 52.037 -0.044 0.000 0.799 370 A CB -0.393 18.564 19.000 -0.071 0.000 1.081 370 A HN 0.860 nan 8.150 nan 0.000 0.509 371 T N 0.914 115.459 114.554 -0.014 0.000 2.906 371 T HA 0.680 5.028 4.350 -0.003 0.000 0.295 371 T C -3.108 171.593 174.700 0.001 0.000 1.061 371 T CA -1.995 60.101 62.100 -0.008 0.000 1.000 371 T CB 1.318 70.185 68.868 -0.002 0.000 1.103 371 T HN 0.295 nan 8.240 nan 0.000 0.486 372 P HA 0.235 nan 4.420 nan 0.000 0.261 372 P C -0.584 176.726 177.300 0.018 0.000 1.183 372 P CA -0.120 62.984 63.100 0.006 0.000 0.761 372 P CB 0.254 31.955 31.700 0.003 0.000 0.785 373 L N 3.863 125.101 121.223 0.025 0.000 2.400 373 L HA 0.607 4.945 4.340 -0.003 0.000 0.264 373 L C 1.152 178.044 176.870 0.037 0.000 1.061 373 L CA -0.832 54.033 54.840 0.042 0.000 0.799 373 L CB 0.935 43.029 42.059 0.058 0.000 1.240 373 L HN 0.406 nan 8.230 nan 0.000 0.461 374 R N -0.004 120.524 120.500 0.047 0.000 2.888 374 R HA 0.658 4.996 4.340 -0.003 0.000 0.266 374 R C -2.883 173.447 176.300 0.049 0.000 1.020 374 R CA -2.129 53.995 56.100 0.039 0.000 0.963 374 R CB 0.617 30.936 30.300 0.032 0.000 1.197 374 R HN 0.180 nan 8.270 nan 0.000 0.481 375 P HA 0.209 nan 4.420 nan 0.000 0.269 375 P C -0.336 176.997 177.300 0.056 0.000 1.211 375 P CA 0.264 63.389 63.100 0.042 0.000 0.781 375 P CB 0.546 32.262 31.700 0.026 0.000 0.877 376 G N 0.052 108.894 108.800 0.069 0.000 2.315 376 G HA2 0.376 4.334 3.960 -0.003 0.000 0.294 376 G HA3 0.376 4.334 3.960 -0.003 0.000 0.294 376 G C -2.012 172.948 174.900 0.101 0.000 1.300 376 G CA -0.658 44.488 45.100 0.075 0.000 0.843 376 G HN 0.337 nan 8.290 nan 0.000 0.527 377 I N 1.217 121.838 120.570 0.085 0.000 2.330 377 I HA 0.250 4.418 4.170 -0.003 0.000 0.286 377 I C -0.273 175.913 176.117 0.114 0.000 1.025 377 I CA -0.805 60.552 61.300 0.096 0.000 1.197 377 I CB 1.166 39.189 38.000 0.039 0.000 1.358 377 I HN 0.588 nan 8.210 nan 0.000 0.467 378 W N 7.875 129.180 121.300 0.008 0.000 2.485 378 W HA 0.221 4.879 4.660 -0.003 0.000 0.315 378 W C -0.194 176.308 176.519 -0.028 0.000 1.304 378 W CA -0.474 56.875 57.345 0.006 0.000 1.345 378 W CB 0.652 30.132 29.460 0.033 0.000 1.368 378 W HN 0.504 nan 8.180 nan 0.000 0.497 379 R N 4.566 124.847 120.500 -0.365 0.000 2.265 379 R HA 0.339 4.677 4.340 -0.003 0.000 0.314 379 R C 0.884 176.988 176.300 -0.327 0.000 1.053 379 R CA -0.067 55.809 56.100 -0.374 0.000 0.931 379 R CB 1.214 31.140 30.300 -0.625 0.000 1.024 379 R HN 0.543 nan 8.270 nan 0.000 0.457 380 A N 2.921 125.699 122.820 -0.069 0.000 2.178 380 A HA 0.003 4.321 4.320 -0.003 0.000 0.211 380 A C -0.003 177.713 177.584 0.220 0.000 1.157 380 A CA 0.016 52.133 52.037 0.134 0.000 0.780 380 A CB -0.355 18.707 19.000 0.104 0.000 0.828 380 A HN 0.922 nan 8.150 nan 0.000 0.476 381 Y N -2.739 117.535 120.300 -0.044 0.000 3.978 381 Y HA -0.264 4.283 4.550 -0.004 0.000 0.219 381 Y C 1.219 177.108 175.900 -0.019 0.000 1.153 381 Y CA 0.695 58.771 58.100 -0.040 0.000 1.718 381 Y CB -2.476 35.952 38.460 -0.054 0.000 1.541 381 Y HN 1.274 nan 8.280 nan 0.000 0.640 382 A N -0.817 122.059 122.820 0.093 0.000 2.832 382 A HA -0.258 4.060 4.320 -0.003 0.000 0.280 382 A C 0.268 177.906 177.584 0.089 0.000 1.464 382 A CA 1.196 53.273 52.037 0.066 0.000 0.804 382 A CB -1.141 17.888 19.000 0.049 0.000 1.020 382 A HN 0.616 nan 8.150 nan 0.000 0.563 383 D N -0.465 120.000 120.400 0.108 0.000 2.441 383 D HA 0.357 4.995 4.640 -0.003 0.000 0.231 383 D C 1.587 177.906 176.300 0.032 0.000 1.073 383 D CA 0.075 54.131 54.000 0.093 0.000 0.850 383 D CB 0.321 41.151 40.800 0.050 0.000 1.062 383 D HN 0.534 nan 8.370 nan 0.000 0.524 384 H N 4.618 123.641 119.070 -0.077 0.000 2.394 384 H HA -0.142 4.412 4.556 -0.004 0.000 0.297 384 H C 0.931 176.142 175.328 -0.194 0.000 1.113 384 H CA 1.094 57.051 56.048 -0.153 0.000 1.277 384 H CB -0.006 29.669 29.762 -0.145 0.000 1.370 384 H HN 0.376 nan 8.280 nan 0.000 0.506 385 R N -0.288 119.790 120.500 -0.703 0.000 2.119 385 R HA 0.038 4.376 4.340 -0.003 0.000 0.222 385 R C 2.517 178.679 176.300 -0.230 0.000 1.088 385 R CA 0.824 56.625 56.100 -0.498 0.000 0.984 385 R CB -0.090 29.915 30.300 -0.491 0.000 0.884 385 R HN 0.285 nan 8.270 nan 0.000 0.447 386 M N 0.906 120.451 119.600 -0.092 0.000 2.117 386 M HA -0.068 4.409 4.480 -0.003 0.000 0.262 386 M C 2.460 178.878 176.300 0.196 0.000 1.065 386 M CA 1.513 56.912 55.300 0.165 0.000 1.114 386 M CB -1.067 31.677 32.600 0.239 0.000 1.361 386 M HN 0.148 nan 8.290 nan 0.000 0.408 387 A N 0.290 123.106 122.820 -0.007 0.000 1.865 387 A HA -0.181 4.137 4.320 -0.003 0.000 0.217 387 A C 2.217 179.574 177.584 -0.378 0.000 1.191 387 A CA 1.861 53.820 52.037 -0.130 0.000 0.623 387 A CB -0.636 18.224 19.000 -0.234 0.000 0.826 387 A HN 0.520 nan 8.150 nan 0.000 0.444 388 M N -0.635 118.633 119.600 -0.552 0.000 2.374 388 M HA -0.060 4.418 4.480 -0.003 0.000 0.264 388 M C 2.373 178.366 176.300 -0.512 0.000 1.067 388 M CA 1.050 55.894 55.300 -0.759 0.000 1.103 388 M CB -0.357 31.758 32.600 -0.808 0.000 1.402 388 M HN 0.495 nan 8.290 nan 0.000 0.444 389 A N 0.664 123.266 122.820 -0.364 0.000 1.929 389 A HA 0.037 4.355 4.320 -0.003 0.000 0.216 389 A C 2.362 179.523 177.584 -0.705 0.000 1.176 389 A CA 1.656 53.481 52.037 -0.353 0.000 0.628 389 A CB -1.291 17.630 19.000 -0.132 0.000 0.816 389 A HN 0.512 nan 8.150 nan 0.000 0.444 390 G N -0.358 107.815 108.800 -1.044 0.000 2.422 390 G HA2 0.020 3.978 3.960 -0.003 0.000 0.218 390 G HA3 0.020 3.978 3.960 -0.003 0.000 0.218 390 G C 1.710 176.273 174.900 -0.563 0.000 1.146 390 G CA 1.336 45.554 45.100 -1.471 0.000 0.769 390 G HN 0.741 nan 8.290 nan 0.000 0.547 391 A N 0.876 123.484 122.820 -0.354 0.000 1.908 391 A HA -0.002 4.316 4.320 -0.003 0.000 0.218 391 A C 2.393 179.949 177.584 -0.046 0.000 1.181 391 A CA 1.381 53.310 52.037 -0.179 0.000 0.627 391 A CB -0.380 18.261 19.000 -0.599 0.000 0.818 391 A HN 0.378 nan 8.150 nan 0.000 0.445 392 I N -0.516 119.975 120.570 -0.132 0.000 2.179 392 I HA -0.260 3.908 4.170 -0.003 0.000 0.242 392 I C 2.303 178.448 176.117 0.047 0.000 1.088 392 I CA 1.368 62.735 61.300 0.111 0.000 1.357 392 I CB -0.301 37.711 38.000 0.019 0.000 1.051 392 I HN 0.298 nan 8.210 nan 0.000 0.409 393 I N 0.637 121.124 120.570 -0.138 0.000 2.226 393 I HA -0.215 3.953 4.170 -0.003 0.000 0.245 393 I C 2.572 178.670 176.117 -0.032 0.000 1.100 393 I CA 1.592 62.824 61.300 -0.113 0.000 1.374 393 I CB -0.774 37.063 38.000 -0.271 0.000 1.057 393 I HN 0.264 nan 8.210 nan 0.000 0.413 394 G N 0.653 109.432 108.800 -0.036 0.000 2.498 394 G HA2 -0.174 3.784 3.960 -0.003 0.000 0.219 394 G HA3 -0.174 3.784 3.960 -0.003 0.000 0.219 394 G C 1.664 176.601 174.900 0.061 0.000 1.119 394 G CA 0.310 45.417 45.100 0.011 0.000 0.766 394 G HN 0.299 nan 8.290 nan 0.000 0.552 395 L N -0.673 120.623 121.223 0.121 0.000 2.131 395 L HA 0.025 4.363 4.340 -0.003 0.000 0.210 395 L C 2.504 179.412 176.870 0.064 0.000 1.092 395 L CA 0.787 55.700 54.840 0.122 0.000 0.759 395 L CB -0.053 42.106 42.059 0.168 0.000 0.903 395 L HN 0.055 nan 8.230 nan 0.000 0.435 396 R N -1.217 119.315 120.500 0.054 0.000 2.476 396 R HA 0.308 4.646 4.340 -0.003 0.000 0.276 396 R C -0.616 175.699 176.300 0.026 0.000 0.941 396 R CA 0.072 56.196 56.100 0.039 0.000 1.088 396 R CB 0.553 30.882 30.300 0.048 0.000 1.216 396 R HN -0.024 nan 8.270 nan 0.000 0.533 397 V N 0.987 120.915 119.914 0.023 0.000 2.482 397 V HA 0.599 4.717 4.120 -0.003 0.000 0.295 397 V C -0.067 176.034 176.094 0.012 0.000 1.026 397 V CA -1.687 60.624 62.300 0.019 0.000 0.856 397 V CB 1.593 33.432 31.823 0.026 0.000 1.001 397 V HN 0.160 nan 8.190 nan 0.000 0.424 398 A N 3.207 126.031 122.820 0.007 0.000 2.425 398 A HA 0.617 4.935 4.320 -0.003 0.000 0.249 398 A C 1.373 178.957 177.584 0.001 0.000 1.084 398 A CA 0.652 52.688 52.037 -0.002 0.000 0.781 398 A CB 0.084 19.081 19.000 -0.004 0.000 1.019 398 A HN 2.327 nan 8.150 nan 0.000 0.490 399 G N 0.452 109.246 108.800 -0.010 0.000 2.137 399 G HA2 -0.107 3.851 3.960 -0.003 0.000 0.237 399 G HA3 -0.107 3.851 3.960 -0.003 0.000 0.237 399 G C 0.004 174.912 174.900 0.013 0.000 1.002 399 G CA 0.078 45.176 45.100 -0.002 0.000 0.702 399 G HN 1.334 nan 8.290 nan 0.000 0.515 400 V N 0.652 120.572 119.914 0.009 0.000 2.439 400 V HA 0.572 4.690 4.120 -0.003 0.000 0.282 400 V C 0.243 176.357 176.094 0.034 0.000 1.039 400 V CA -0.323 62.004 62.300 0.045 0.000 0.913 400 V CB 1.532 33.383 31.823 0.046 0.000 0.983 400 V HN 0.420 nan 8.190 nan 0.000 0.460 401 E N 3.430 123.685 120.200 0.091 0.000 2.234 401 E HA 0.544 4.892 4.350 -0.003 0.000 0.266 401 E C -1.392 175.336 176.600 0.215 0.000 0.877 401 E CA -0.803 55.662 56.400 0.109 0.000 0.758 401 E CB 2.654 32.397 29.700 0.071 0.000 1.170 401 E HN 0.390 nan 8.360 nan 0.000 0.415 402 V N 3.447 123.545 119.914 0.307 0.000 2.498 402 V HA -0.034 4.084 4.120 -0.003 0.000 0.279 402 V C 0.961 177.192 176.094 0.229 0.000 1.048 402 V CA -0.134 62.363 62.300 0.328 0.000 0.967 402 V CB 1.074 33.122 31.823 0.374 0.000 0.988 402 V HN 0.825 nan 8.190 nan 0.000 0.473 403 D N 2.883 123.369 120.400 0.143 0.000 2.144 403 D HA -0.127 4.511 4.640 -0.003 0.000 0.200 403 D C 0.635 176.978 176.300 0.071 0.000 0.978 403 D CA 1.024 55.068 54.000 0.074 0.000 0.833 403 D CB 0.113 40.911 40.800 -0.005 0.000 0.961 403 D HN 0.567 nan 8.370 nan 0.000 0.470 404 D N -0.946 119.489 120.400 0.058 0.000 2.468 404 D HA 0.115 4.753 4.640 -0.003 0.000 0.272 404 D C 0.379 176.669 176.300 -0.017 0.000 1.221 404 D CA -0.650 53.364 54.000 0.024 0.000 0.860 404 D CB 0.130 40.932 40.800 0.003 0.000 1.190 404 D HN -0.064 nan 8.370 nan 0.000 0.509 405 I N 2.217 122.756 120.570 -0.052 0.000 2.567 405 I HA -0.010 4.158 4.170 -0.003 0.000 0.257 405 I C 1.916 177.917 176.117 -0.194 0.000 1.184 405 I CA 1.060 62.214 61.300 -0.243 0.000 1.451 405 I CB -0.037 37.597 38.000 -0.610 0.000 1.089 405 I HN 0.420 nan 8.210 nan 0.000 0.441 406 A N 0.073 122.833 122.820 -0.099 0.000 2.209 406 A HA 0.115 4.433 4.320 -0.003 0.000 0.212 406 A C 2.415 179.965 177.584 -0.056 0.000 1.158 406 A CA 1.015 53.012 52.037 -0.066 0.000 0.742 406 A CB -0.913 18.069 19.000 -0.030 0.000 0.790 406 A HN 0.446 nan 8.150 nan 0.000 0.472 407 A N 0.195 122.980 122.820 -0.057 0.000 2.076 407 A HA -0.113 4.205 4.320 -0.003 0.000 0.220 407 A C 2.280 179.837 177.584 -0.047 0.000 1.160 407 A CA 2.124 54.141 52.037 -0.034 0.000 0.653 407 A CB -1.303 17.692 19.000 -0.007 0.000 0.801 407 A HN 0.754 nan 8.150 nan 0.000 0.455 408 T N -1.845 112.643 114.554 -0.109 0.000 2.977 408 T HA -0.167 4.181 4.350 -0.003 0.000 0.271 408 T C 1.705 176.371 174.700 -0.056 0.000 1.105 408 T CA 1.866 63.893 62.100 -0.121 0.000 1.116 408 T CB -1.347 67.381 68.868 -0.234 0.000 0.878 408 T HN 0.708 nan 8.240 nan 0.000 0.509 409 T N -0.307 114.218 114.554 -0.047 0.000 3.025 409 T HA -0.051 4.297 4.350 -0.003 0.000 0.270 409 T C 1.750 176.408 174.700 -0.071 0.000 1.126 409 T CA 1.140 63.218 62.100 -0.038 0.000 1.105 409 T CB -0.451 68.399 68.868 -0.030 0.000 0.884 409 T HN 0.550 nan 8.240 nan 0.000 0.522 410 K N 1.415 121.745 120.400 -0.118 0.000 2.057 410 K HA -0.128 4.190 4.320 -0.003 0.000 0.207 410 K C 2.058 178.518 176.600 -0.233 0.000 1.049 410 K CA 1.872 58.036 56.287 -0.206 0.000 0.931 410 K CB -0.218 32.082 32.500 -0.333 0.000 0.714 410 K HN 0.619 nan 8.250 nan 0.000 0.440 411 T N -2.951 111.469 114.554 -0.222 0.000 3.058 411 T HA 0.251 4.599 4.350 -0.003 0.000 0.278 411 T C 0.405 175.092 174.700 -0.021 0.000 0.974 411 T CA -0.572 61.446 62.100 -0.138 0.000 0.893 411 T CB 0.492 69.269 68.868 -0.151 0.000 1.138 411 T HN 0.114 nan 8.240 nan 0.000 0.529 412 L N 1.289 122.517 121.223 0.008 0.000 2.400 412 L HA 0.343 4.681 4.340 -0.003 0.000 0.261 412 L C -2.441 174.487 176.870 0.096 0.000 1.554 412 L CA -1.664 53.229 54.840 0.089 0.000 0.774 412 L CB 1.801 43.965 42.059 0.175 0.000 0.964 412 L HN -0.148 nan 8.230 nan 0.000 0.524 413 P HA -0.235 nan 4.420 nan 0.000 0.220 413 P C 0.416 177.765 177.300 0.081 0.000 1.155 413 P CA 1.651 64.779 63.100 0.048 0.000 0.880 413 P CB 0.292 32.010 31.700 0.031 0.000 0.790 414 E N -2.521 117.746 120.200 0.111 0.000 2.437 414 E HA 0.040 4.388 4.350 -0.003 0.000 0.189 414 E C 1.239 177.944 176.600 0.175 0.000 1.054 414 E CA -0.250 56.219 56.400 0.116 0.000 0.874 414 E CB -1.043 28.711 29.700 0.089 0.000 1.011 414 E HN 0.223 nan 8.360 nan 0.000 0.474 415 F N 2.573 122.570 119.950 0.079 0.000 2.065 415 F HA -0.136 4.389 4.527 -0.003 0.000 0.298 415 F C -0.942 174.932 175.800 0.122 0.000 1.112 415 F CA 1.313 59.389 58.000 0.126 0.000 1.212 415 F CB -0.973 38.001 39.000 -0.044 0.000 0.975 415 F HN 0.051 nan 8.300 nan 0.000 0.476 416 P HA -0.233 nan 4.420 nan 0.000 0.215 416 P C 1.510 178.860 177.300 0.082 0.000 1.157 416 P CA 2.296 65.343 63.100 -0.089 0.000 0.874 416 P CB -0.287 31.388 31.700 -0.041 0.000 0.790 417 R N -0.011 120.537 120.500 0.080 0.000 2.073 417 R HA -0.084 4.254 4.340 -0.003 0.000 0.234 417 R C 2.231 178.582 176.300 0.085 0.000 1.134 417 R CA 1.381 57.536 56.100 0.092 0.000 0.952 417 R CB -0.930 29.412 30.300 0.071 0.000 0.850 417 R HN 0.144 nan 8.270 nan 0.000 0.433 418 L N -0.538 120.735 121.223 0.085 0.000 2.083 418 L HA -0.206 4.132 4.340 -0.003 0.000 0.209 418 L C 2.536 179.524 176.870 0.197 0.000 1.083 418 L CA 1.162 56.062 54.840 0.100 0.000 0.752 418 L CB -0.668 41.464 42.059 0.122 0.000 0.899 418 L HN 0.465 nan 8.230 nan 0.000 0.433 419 W N 1.070 122.316 121.300 -0.091 0.000 2.381 419 W HA -0.170 4.488 4.660 -0.002 0.000 0.301 419 W C 2.472 179.006 176.519 0.024 0.000 1.205 419 W CA 1.537 58.825 57.345 -0.095 0.000 1.285 419 W CB 0.067 29.178 29.460 -0.581 0.000 1.133 419 W HN 0.165 nan 8.180 nan 0.000 0.521 420 A N 0.818 123.771 122.820 0.222 0.000 1.902 420 A HA -0.244 4.074 4.320 -0.003 0.000 0.217 420 A C 1.758 179.360 177.584 0.029 0.000 1.181 420 A CA 1.974 54.093 52.037 0.136 0.000 0.623 420 A CB -0.882 18.220 19.000 0.170 0.000 0.818 420 A HN 0.454 nan 8.150 nan 0.000 0.443 421 E N -0.864 119.350 120.200 0.024 0.000 2.106 421 E HA -0.168 4.180 4.350 -0.003 0.000 0.192 421 E C 2.041 178.606 176.600 -0.057 0.000 0.984 421 E CA 1.249 57.641 56.400 -0.014 0.000 0.806 421 E CB -0.286 29.407 29.700 -0.011 0.000 0.750 421 E HN 0.757 nan 8.360 nan 0.000 0.458 422 M N 0.754 120.302 119.600 -0.087 0.000 2.117 422 M HA -0.132 4.346 4.480 -0.003 0.000 0.262 422 M C 1.913 178.097 176.300 -0.193 0.000 1.065 422 M CA 1.376 56.590 55.300 -0.144 0.000 1.114 422 M CB 0.194 32.693 32.600 -0.168 0.000 1.361 422 M HN -0.010 nan 8.290 nan 0.000 0.408 423 V N 0.310 120.078 119.914 -0.243 0.000 2.951 423 V HA 0.128 4.246 4.120 -0.003 0.000 0.255 423 V C 1.267 177.293 176.094 -0.113 0.000 1.088 423 V CA 1.037 63.207 62.300 -0.217 0.000 1.109 423 V CB -0.324 31.355 31.823 -0.241 0.000 0.724 423 V HN 0.637 nan 8.190 nan 0.000 0.471 424 G N 0.000 108.751 108.800 -0.082 0.000 5.446 424 G HA2 0.000 3.958 3.960 -0.003 0.000 0.244 424 G HA3 0.000 3.958 3.960 -0.003 0.000 0.244 424 G CA 0.000 45.069 45.100 -0.051 0.000 0.502 424 G HN 0.000 nan 8.290 nan 0.000 0.925