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 2w3s_1_D DATA FIRST_RESID 2 DATA SEQUENCE SVGKPLPHDS ARAHVTGQAR YLDDLPCPAN TLHLAFGLST EASAAITGLD DATA SEQUENCE LEPVRESPGV IAVFTAADLP HDNDASPAPS PEPVLATGEV HFVGQPIFLV DATA SEQUENCE AATSHRAARI AARKARITYA PRPAILTLDQ ALAADSRFEG GPVIWARGDV DATA SEQUENCE ETALAGAAHL AEGCFEIGGQ EHFYLEGQAA LALPAEGGVV IHCSSQHPSE DATA SEQUENCE IQHKVAHALG LAFHDVRVEM RRMGGGFGGK ESQGNHLAIA CAVAARATGR DATA SEQUENCE PCKMRYDRDD DMVITGKRHD FRIRYRIGAD ASGKLLGADF VHLARCGWSA DATA SEQUENCE DLSLPVCDRA MLHADGSYFV PALRIESHRL RTNTQSNTAF RGFGGPQGAL DATA SEQUENCE GMERAIEHLA RGMGRDPAEL RALNFYDPPE XXXXXXXXXX XXXXXXKKTQ DATA SEQUENCE TTHYGQEVAD CVLGELVTRL QKSANFTTRR AEIAAWNSTN RTLARGIALS DATA SEQUENCE PVKFGISFTL THLNQAGALV QIYTDGSVAL NHGGTEMGQG LHAKMVQVAA DATA SEQUENCE AVLGIDPVQV RITATDTSKV PNTSATAASS GADMNGMAVK DACETLRGRL DATA SEQUENCE AGFVAAREGC AARDVIFDAG QVQASGKSWR FAEIVAAAYM ARISLSATGF DATA SEQUENCE YATPKLSWDR LRGQGRPFLY FAYGAAITEV VIDRLTGENR ILRTDILHDA DATA SEQUENCE GASLNPALDI GQIEGAYVQG AGWLTTEELV WDHCGRLMTH APSTYKIPAF DATA SEQUENCE SDRPRIFNVA LWDQPNREET IFRSKAVGEP PFLLGISAFL ALHDACAACG DATA SEQUENCE PHWPDLQAPA TPEAVLAAVR RAEGRA 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.490 174.600 -0.183 0.000 1.055 2 S CA 0.000 58.112 58.200 -0.146 0.000 1.107 2 S CB 0.000 63.132 63.200 -0.114 0.000 0.593 3 V N 3.180 122.922 119.914 -0.287 0.000 2.742 3 V HA 0.325 4.470 4.120 0.041 0.000 0.302 3 V C 1.887 177.834 176.094 -0.245 0.000 1.133 3 V CA 1.906 64.002 62.300 -0.339 0.000 1.284 3 V CB -0.227 31.160 31.823 -0.727 0.000 0.850 3 V HN 1.248 nan 8.190 nan 0.000 0.494 4 G N 3.564 112.268 108.800 -0.159 0.000 2.217 4 G HA2 -0.213 3.772 3.960 0.041 0.000 0.246 4 G HA3 -0.213 3.772 3.960 0.041 0.000 0.246 4 G C 0.276 175.128 174.900 -0.080 0.000 0.990 4 G CA 0.146 45.181 45.100 -0.109 0.000 0.627 4 G HN 0.615 nan 8.290 nan 0.000 0.522 5 K N 1.415 121.765 120.400 -0.083 0.000 2.295 5 K HA 0.347 4.692 4.320 0.041 0.000 0.270 5 K C -2.157 174.416 176.600 -0.045 0.000 1.011 5 K CA -1.055 55.196 56.287 -0.060 0.000 0.953 5 K CB 1.259 33.723 32.500 -0.061 0.000 0.956 5 K HN 0.047 nan 8.250 nan 0.000 0.477 6 P HA 0.117 nan 4.420 nan 0.000 0.220 6 P C -0.547 176.745 177.300 -0.014 0.000 1.806 6 P CA 0.048 63.136 63.100 -0.020 0.000 0.976 6 P CB -0.096 31.595 31.700 -0.016 0.000 1.952 7 L N 2.751 123.962 121.223 -0.019 0.000 2.397 7 L HA 0.329 4.694 4.340 0.041 0.000 0.271 7 L C -1.481 175.392 176.870 0.006 0.000 1.148 7 L CA -2.176 52.657 54.840 -0.012 0.000 0.825 7 L CB 0.083 42.126 42.059 -0.026 0.000 1.117 7 L HN 0.024 nan 8.230 nan 0.000 0.456 8 P HA -0.051 nan 4.420 nan 0.000 0.270 8 P C -0.366 176.977 177.300 0.072 0.000 1.223 8 P CA -0.227 62.905 63.100 0.053 0.000 0.785 8 P CB 0.349 32.077 31.700 0.047 0.000 0.923 9 H N 2.624 121.707 119.070 0.021 0.000 3.115 9 H HA -0.114 4.466 4.556 0.039 0.000 0.324 9 H C 1.412 176.730 175.328 -0.018 0.000 1.007 9 H CA 1.153 57.218 56.048 0.028 0.000 1.385 9 H CB 0.477 30.286 29.762 0.078 0.000 1.351 9 H HN 0.562 nan 8.280 nan 0.000 0.592 10 D N 2.021 122.342 120.400 -0.133 0.000 2.315 10 D HA -0.136 4.529 4.640 0.041 0.000 0.211 10 D C 0.429 176.740 176.300 0.019 0.000 0.977 10 D CA 1.047 55.022 54.000 -0.041 0.000 0.894 10 D CB 0.182 40.945 40.800 -0.062 0.000 0.910 10 D HN 0.230 nan 8.370 nan 0.000 0.490 11 S N -0.864 114.910 115.700 0.124 0.000 2.819 11 S HA 0.449 4.944 4.470 0.041 0.000 0.249 11 S C 1.521 175.725 174.600 -0.660 0.000 1.030 11 S CA 0.026 58.089 58.200 -0.230 0.000 1.052 11 S CB 1.021 64.093 63.200 -0.214 0.000 1.017 11 S HN 0.450 nan 8.310 nan 0.000 0.576 12 A N 2.626 125.276 122.820 -0.283 0.000 1.903 12 A HA -0.220 4.124 4.320 0.041 0.000 0.219 12 A C 2.047 179.579 177.584 -0.088 0.000 1.191 12 A CA 1.833 53.782 52.037 -0.146 0.000 0.638 12 A CB -0.528 18.486 19.000 0.022 0.000 0.823 12 A HN 0.459 nan 8.150 nan 0.000 0.451 13 R N -0.734 119.724 120.500 -0.070 0.000 2.073 13 R HA -0.111 4.253 4.340 0.041 0.000 0.234 13 R C 2.354 178.643 176.300 -0.019 0.000 1.134 13 R CA 1.458 57.543 56.100 -0.026 0.000 0.952 13 R CB -0.403 29.884 30.300 -0.021 0.000 0.850 13 R HN 0.486 nan 8.270 nan 0.000 0.433 14 A N -0.183 122.596 122.820 -0.068 0.000 2.015 14 A HA -0.150 4.194 4.320 0.041 0.000 0.219 14 A C 1.682 179.320 177.584 0.090 0.000 1.163 14 A CA 1.280 53.307 52.037 -0.017 0.000 0.646 14 A CB -0.656 18.315 19.000 -0.048 0.000 0.806 14 A HN 0.545 nan 8.150 nan 0.000 0.448 15 H N -2.010 117.081 119.070 0.034 0.000 2.357 15 H HA -0.046 4.533 4.556 0.039 0.000 0.301 15 H C 1.956 177.317 175.328 0.054 0.000 1.082 15 H CA 1.082 57.162 56.048 0.054 0.000 1.342 15 H CB 0.102 29.878 29.762 0.024 0.000 1.389 15 H HN 0.307 nan 8.280 nan 0.000 0.511 16 V N 1.144 121.160 119.914 0.169 0.000 3.306 16 V HA -0.094 4.050 4.120 0.041 0.000 0.264 16 V C 1.791 177.932 176.094 0.078 0.000 1.149 16 V CA 1.866 64.231 62.300 0.109 0.000 1.143 16 V CB -0.042 31.830 31.823 0.083 0.000 0.767 16 V HN 0.621 nan 8.190 nan 0.000 0.476 17 T N -3.818 110.780 114.554 0.073 0.000 3.084 17 T HA 0.331 4.705 4.350 0.041 0.000 0.270 17 T C 1.293 176.029 174.700 0.061 0.000 1.008 17 T CA 0.518 62.650 62.100 0.055 0.000 0.900 17 T CB 0.556 69.446 68.868 0.037 0.000 1.084 17 T HN 0.937 nan 8.240 nan 0.000 0.538 18 G N 1.887 110.740 108.800 0.088 0.000 2.221 18 G HA2 -0.289 3.695 3.960 0.041 0.000 0.265 18 G HA3 -0.289 3.695 3.960 0.041 0.000 0.265 18 G C 0.474 175.422 174.900 0.080 0.000 1.041 18 G CA 0.571 45.728 45.100 0.096 0.000 0.807 18 G HN 0.606 nan 8.290 nan 0.000 0.502 19 Q N -0.680 119.160 119.800 0.067 0.000 2.392 19 Q HA 0.483 4.848 4.340 0.041 0.000 0.219 19 Q C 1.676 177.684 176.000 0.013 0.000 0.895 19 Q CA 0.414 56.237 55.803 0.033 0.000 0.929 19 Q CB 0.548 29.295 28.738 0.016 0.000 1.077 19 Q HN 0.894 nan 8.270 nan 0.000 0.532 20 A N 1.869 124.707 122.820 0.030 0.000 2.524 20 A HA 0.163 4.507 4.320 0.041 0.000 0.250 20 A C -0.349 177.135 177.584 -0.166 0.000 1.078 20 A CA 0.104 52.101 52.037 -0.067 0.000 0.761 20 A CB 0.093 19.104 19.000 0.019 0.000 1.012 20 A HN 0.181 nan 8.150 nan 0.000 0.500 21 R N 1.405 121.766 120.500 -0.231 0.000 2.312 21 R HA 0.516 4.881 4.340 0.041 0.000 0.311 21 R C -1.280 174.799 176.300 -0.368 0.000 1.004 21 R CA -0.099 55.894 56.100 -0.179 0.000 0.902 21 R CB 0.923 31.162 30.300 -0.102 0.000 1.073 21 R HN 0.748 nan 8.270 nan 0.000 0.457 22 Y N 0.957 121.254 120.300 -0.005 0.000 2.568 22 Y HA 0.171 4.747 4.550 0.044 0.000 0.327 22 Y C 1.444 177.324 175.900 -0.034 0.000 1.163 22 Y CA -0.847 57.243 58.100 -0.017 0.000 1.219 22 Y CB 0.865 39.312 38.460 -0.022 0.000 1.308 22 Y HN 0.448 nan 8.280 nan 0.000 0.503 23 L N 0.789 122.079 121.223 0.112 0.000 1.991 23 L HA -0.306 4.058 4.340 0.041 0.000 0.221 23 L C 1.706 178.583 176.870 0.013 0.000 1.079 23 L CA 2.477 57.335 54.840 0.029 0.000 0.778 23 L CB -0.323 41.744 42.059 0.013 0.000 0.893 23 L HN 0.837 nan 8.230 nan 0.000 0.437 24 D N -0.896 119.521 120.400 0.028 0.000 2.351 24 D HA -0.164 4.501 4.640 0.041 0.000 0.216 24 D C 1.376 177.692 176.300 0.026 0.000 0.968 24 D CA 0.951 54.960 54.000 0.015 0.000 0.899 24 D CB -0.072 40.726 40.800 -0.003 0.000 0.907 24 D HN 0.525 nan 8.370 nan 0.000 0.514 25 D N -0.535 119.893 120.400 0.046 0.000 2.333 25 D HA 0.014 4.679 4.640 0.041 0.000 0.208 25 D C 0.632 176.929 176.300 -0.005 0.000 0.984 25 D CA -0.022 53.999 54.000 0.036 0.000 0.873 25 D CB 0.095 40.937 40.800 0.070 0.000 0.935 25 D HN 0.304 nan 8.370 nan 0.000 0.521 26 L N 3.256 124.458 121.223 -0.034 0.000 2.525 26 L HA 0.090 4.454 4.340 0.041 0.000 0.278 26 L C -1.805 175.030 176.870 -0.059 0.000 1.218 26 L CA -1.125 53.667 54.840 -0.080 0.000 0.878 26 L CB -0.297 41.670 42.059 -0.155 0.000 1.127 26 L HN -0.167 nan 8.230 nan 0.000 0.492 27 P HA 0.155 nan 4.420 nan 0.000 0.276 27 P C -0.854 176.419 177.300 -0.045 0.000 1.230 27 P CA -0.466 62.612 63.100 -0.037 0.000 0.776 27 P CB 0.886 32.565 31.700 -0.034 0.000 0.888 28 C N 1.765 121.051 119.300 -0.023 0.000 3.154 28 C HA 0.756 5.241 4.460 0.041 0.000 0.312 28 C C -2.623 172.364 174.990 -0.005 0.000 1.349 28 C CA -2.441 56.562 59.018 -0.024 0.000 1.518 28 C CB 0.238 27.956 27.740 -0.037 0.000 1.934 28 C HN 0.347 nan 8.230 nan 0.000 0.462 29 P HA 0.344 nan 4.420 nan 0.000 0.269 29 P C 0.677 177.988 177.300 0.017 0.000 1.215 29 P CA 0.146 63.248 63.100 0.004 0.000 0.780 29 P CB 0.478 32.179 31.700 0.002 0.000 0.898 30 A N 2.559 125.392 122.820 0.022 0.000 2.015 30 A HA -0.168 4.177 4.320 0.041 0.000 0.219 30 A C 1.525 179.135 177.584 0.044 0.000 1.163 30 A CA 1.523 53.580 52.037 0.034 0.000 0.646 30 A CB -1.080 17.936 19.000 0.027 0.000 0.806 30 A HN 0.727 nan 8.150 nan 0.000 0.448 31 N N 0.286 119.006 118.700 0.033 0.000 2.501 31 N HA -0.015 4.750 4.740 0.041 0.000 0.195 31 N C -0.273 175.259 175.510 0.037 0.000 1.213 31 N CA 0.704 53.777 53.050 0.038 0.000 0.864 31 N CB -1.190 37.314 38.487 0.028 0.000 0.999 31 N HN 0.188 nan 8.380 nan 0.000 0.454 32 T N 1.621 116.192 114.554 0.029 0.000 2.928 32 T HA 0.162 4.537 4.350 0.041 0.000 0.305 32 T C 0.626 175.318 174.700 -0.013 0.000 1.035 32 T CA -0.133 61.951 62.100 -0.026 0.000 1.145 32 T CB 0.821 69.642 68.868 -0.079 0.000 0.963 32 T HN 0.121 nan 8.240 nan 0.000 0.545 33 L N 2.850 124.035 121.223 -0.063 0.000 2.400 33 L HA 0.527 4.892 4.340 0.041 0.000 0.264 33 L C 0.522 177.285 176.870 -0.178 0.000 1.061 33 L CA -1.034 53.808 54.840 0.004 0.000 0.799 33 L CB 0.781 42.869 42.059 0.049 0.000 1.240 33 L HN 0.607 nan 8.230 nan 0.000 0.461 34 H N 1.678 120.779 119.070 0.052 0.000 2.771 34 H HA 0.560 5.143 4.556 0.045 0.000 0.361 34 H C -1.202 174.145 175.328 0.032 0.000 1.108 34 H CA -0.566 55.516 56.048 0.057 0.000 1.201 34 H CB 2.373 32.189 29.762 0.090 0.000 1.681 34 H HN 0.309 nan 8.280 nan 0.000 0.534 35 L N 1.610 122.886 121.223 0.088 0.000 2.362 35 L HA 0.813 5.178 4.340 0.041 0.000 0.271 35 L C -0.154 176.664 176.870 -0.086 0.000 1.002 35 L CA -1.027 53.809 54.840 -0.007 0.000 0.818 35 L CB 2.052 44.063 42.059 -0.079 0.000 1.298 35 L HN 0.542 nan 8.230 nan 0.000 0.420 36 A N 1.936 124.696 122.820 -0.100 0.000 2.435 36 A HA 0.794 5.139 4.320 0.041 0.000 0.304 36 A C -1.213 176.307 177.584 -0.105 0.000 1.064 36 A CA -0.443 51.513 52.037 -0.135 0.000 0.727 36 A CB 1.147 20.081 19.000 -0.109 0.000 1.284 36 A HN 0.567 nan 8.150 nan 0.000 0.415 37 F N 0.852 120.768 119.950 -0.057 0.000 2.375 37 F HA 0.501 5.055 4.527 0.044 0.000 0.333 37 F C 1.354 176.906 175.800 -0.413 0.000 1.104 37 F CA -0.171 57.714 58.000 -0.192 0.000 1.149 37 F CB 1.625 40.548 39.000 -0.128 0.000 1.190 37 F HN 0.669 nan 8.300 nan 0.000 0.533 38 G N 3.356 111.745 108.800 -0.685 0.000 2.332 38 G HA2 0.603 4.588 3.960 0.041 0.000 0.310 38 G HA3 0.603 4.588 3.960 0.041 0.000 0.310 38 G C -1.121 173.430 174.900 -0.583 0.000 1.123 38 G CA -0.610 43.883 45.100 -1.012 0.000 0.873 38 G HN 0.493 nan 8.290 nan 0.000 0.460 39 L N 1.200 122.243 121.223 -0.300 0.000 2.334 39 L HA 0.482 4.846 4.340 0.041 0.000 0.272 39 L C 0.960 177.733 176.870 -0.162 0.000 1.020 39 L CA -0.995 53.693 54.840 -0.254 0.000 0.812 39 L CB 1.921 43.835 42.059 -0.243 0.000 1.264 39 L HN 0.543 nan 8.230 nan 0.000 0.439 40 S N -0.100 115.463 115.700 -0.229 0.000 2.537 40 S HA 0.019 4.514 4.470 0.041 0.000 0.286 40 S C 1.071 175.544 174.600 -0.211 0.000 1.299 40 S CA -0.157 57.943 58.200 -0.167 0.000 1.067 40 S CB 0.458 63.459 63.200 -0.330 0.000 0.864 40 S HN 0.761 nan 8.310 nan 0.000 0.494 41 T N 1.699 116.148 114.554 -0.174 0.000 3.107 41 T HA 0.275 4.650 4.350 0.041 0.000 0.249 41 T C 0.122 174.600 174.700 -0.370 0.000 1.096 41 T CA -0.123 61.840 62.100 -0.229 0.000 1.012 41 T CB -0.005 68.789 68.868 -0.123 0.000 0.977 41 T HN 0.517 nan 8.240 nan 0.000 0.527 42 E N 0.425 120.309 120.200 -0.527 0.000 2.207 42 E HA 0.661 5.035 4.350 0.041 0.000 0.270 42 E C 0.699 177.112 176.600 -0.310 0.000 0.927 42 E CA -0.494 55.613 56.400 -0.489 0.000 0.799 42 E CB 1.928 31.174 29.700 -0.756 0.000 1.172 42 E HN 0.155 nan 8.360 nan 0.000 0.404 43 A N 1.859 124.558 122.820 -0.201 0.000 1.968 43 A HA -0.018 4.327 4.320 0.041 0.000 0.217 43 A C 0.967 178.486 177.584 -0.107 0.000 1.169 43 A CA 1.065 53.034 52.037 -0.113 0.000 0.638 43 A CB 0.304 19.265 19.000 -0.064 0.000 0.812 43 A HN 0.317 nan 8.150 nan 0.000 0.446 44 S N -1.845 113.771 115.700 -0.139 0.000 2.599 44 S HA 0.585 5.080 4.470 0.041 0.000 0.269 44 S C -0.871 173.654 174.600 -0.125 0.000 1.135 44 S CA 0.227 58.352 58.200 -0.126 0.000 1.027 44 S CB 0.447 63.615 63.200 -0.052 0.000 1.129 44 S HN 1.592 nan 8.310 nan 0.000 0.458 45 A N 2.890 125.629 122.820 -0.135 0.000 2.601 45 A HA 0.938 5.283 4.320 0.041 0.000 0.291 45 A C -0.745 176.825 177.584 -0.024 0.000 1.075 45 A CA -0.228 51.779 52.037 -0.050 0.000 0.671 45 A CB 0.725 19.714 19.000 -0.019 0.000 1.277 45 A HN 1.648 nan 8.150 nan 0.000 0.417 46 A N 0.256 123.092 122.820 0.026 0.000 2.312 46 A HA 0.747 5.091 4.320 0.041 0.000 0.328 46 A C -0.428 177.187 177.584 0.051 0.000 1.158 46 A CA -0.454 51.595 52.037 0.020 0.000 0.821 46 A CB 0.255 19.262 19.000 0.011 0.000 1.170 46 A HN 0.762 nan 8.150 nan 0.000 0.490 47 I N 2.235 122.809 120.570 0.007 0.000 2.301 47 I HA 0.142 4.337 4.170 0.041 0.000 0.292 47 I C 0.862 176.936 176.117 -0.072 0.000 1.046 47 I CA -0.125 61.135 61.300 -0.066 0.000 1.282 47 I CB 1.301 39.250 38.000 -0.085 0.000 1.409 47 I HN 0.779 nan 8.210 nan 0.000 0.484 48 T N 3.995 118.493 114.554 -0.095 0.000 3.009 48 T HA 0.141 4.515 4.350 0.041 0.000 0.258 48 T C 0.717 175.370 174.700 -0.079 0.000 1.063 48 T CA 0.380 62.441 62.100 -0.065 0.000 1.139 48 T CB 0.311 69.151 68.868 -0.048 0.000 0.890 48 T HN 0.789 nan 8.240 nan 0.000 0.471 49 G N 0.445 109.172 108.800 -0.122 0.000 2.742 49 G HA2 0.561 4.546 3.960 0.041 0.000 0.296 49 G HA3 0.561 4.546 3.960 0.041 0.000 0.296 49 G C -2.260 172.547 174.900 -0.154 0.000 1.436 49 G CA -0.493 44.538 45.100 -0.115 0.000 0.928 49 G HN 0.111 nan 8.290 nan 0.000 0.520 50 L N 1.865 123.010 121.223 -0.130 0.000 2.492 50 L HA 0.462 4.827 4.340 0.041 0.000 0.259 50 L C -1.164 175.615 176.870 -0.151 0.000 1.229 50 L CA -0.811 53.940 54.840 -0.148 0.000 0.903 50 L CB 1.511 43.499 42.059 -0.118 0.000 1.114 50 L HN 0.543 nan 8.230 nan 0.000 0.494 51 D N 3.477 123.785 120.400 -0.153 0.000 2.411 51 D HA 0.242 4.907 4.640 0.041 0.000 0.225 51 D C 0.434 176.616 176.300 -0.198 0.000 1.156 51 D CA 0.017 53.930 54.000 -0.144 0.000 0.874 51 D CB 0.673 41.409 40.800 -0.106 0.000 1.034 51 D HN 0.538 nan 8.370 nan 0.000 0.502 52 L N 3.208 124.294 121.223 -0.228 0.000 2.728 52 L HA 0.200 4.565 4.340 0.041 0.000 0.235 52 L C 1.579 178.331 176.870 -0.197 0.000 1.197 52 L CA -0.168 54.488 54.840 -0.308 0.000 0.992 52 L CB 0.094 41.930 42.059 -0.372 0.000 1.263 52 L HN 0.349 nan 8.230 nan 0.000 0.484 53 E N 1.778 121.894 120.200 -0.141 0.000 2.028 53 E HA -0.101 4.274 4.350 0.041 0.000 0.190 53 E C -0.711 175.841 176.600 -0.079 0.000 0.984 53 E CA 1.173 57.514 56.400 -0.097 0.000 0.800 53 E CB -0.543 29.111 29.700 -0.076 0.000 0.758 53 E HN 0.178 nan 8.360 nan 0.000 0.448 54 P HA -0.123 nan 4.420 nan 0.000 0.221 54 P C 1.090 178.364 177.300 -0.044 0.000 1.145 54 P CA 0.838 63.909 63.100 -0.048 0.000 0.795 54 P CB 0.110 31.786 31.700 -0.040 0.000 0.775 55 V N 0.011 119.879 119.914 -0.076 0.000 2.283 55 V HA -0.185 3.960 4.120 0.041 0.000 0.243 55 V C 2.493 178.566 176.094 -0.034 0.000 1.039 55 V CA 1.615 63.884 62.300 -0.052 0.000 1.016 55 V CB -0.889 30.860 31.823 -0.124 0.000 0.650 55 V HN 0.071 nan 8.190 nan 0.000 0.449 56 R N 0.153 120.615 120.500 -0.063 0.000 2.105 56 R HA -0.187 4.178 4.340 0.041 0.000 0.239 56 R C 2.144 178.425 176.300 -0.031 0.000 1.135 56 R CA 1.640 57.709 56.100 -0.051 0.000 0.967 56 R CB -0.327 29.931 30.300 -0.070 0.000 0.861 56 R HN 0.616 nan 8.270 nan 0.000 0.442 57 E N 0.531 120.713 120.200 -0.031 0.000 2.347 57 E HA -0.012 4.362 4.350 0.041 0.000 0.196 57 E C 0.449 177.045 176.600 -0.008 0.000 1.008 57 E CA -0.035 56.353 56.400 -0.020 0.000 0.852 57 E CB 0.186 29.872 29.700 -0.022 0.000 0.783 57 E HN 0.029 nan 8.360 nan 0.000 0.505 58 S N 1.355 117.053 115.700 -0.002 0.000 2.568 58 S HA 0.075 4.569 4.470 0.041 0.000 0.282 58 S C -2.359 172.248 174.600 0.011 0.000 1.338 58 S CA -1.530 56.675 58.200 0.008 0.000 1.045 58 S CB 0.473 63.684 63.200 0.020 0.000 0.873 58 S HN -0.147 nan 8.310 nan 0.000 0.516 59 P HA 0.193 nan 4.420 nan 0.000 0.266 59 P C 0.860 178.171 177.300 0.019 0.000 1.195 59 P CA 1.002 64.110 63.100 0.013 0.000 0.768 59 P CB 0.195 31.902 31.700 0.012 0.000 0.838 60 G N 1.054 109.866 108.800 0.020 0.000 2.234 60 G HA2 -0.247 3.737 3.960 0.041 0.000 0.260 60 G HA3 -0.247 3.737 3.960 0.041 0.000 0.260 60 G C 0.176 175.099 174.900 0.037 0.000 0.987 60 G CA 0.076 45.194 45.100 0.029 0.000 0.625 60 G HN 0.543 nan 8.290 nan 0.000 0.532 61 V N 2.202 122.135 119.914 0.032 0.000 2.637 61 V HA 0.317 4.461 4.120 0.041 0.000 0.296 61 V C 1.572 177.681 176.094 0.026 0.000 1.046 61 V CA 0.324 62.645 62.300 0.035 0.000 1.066 61 V CB 1.289 33.127 31.823 0.026 0.000 0.968 61 V HN 0.218 nan 8.190 nan 0.000 0.483 62 I N 2.564 123.155 120.570 0.035 0.000 3.565 62 I HA 0.436 4.631 4.170 0.041 0.000 0.287 62 I C 0.828 176.938 176.117 -0.010 0.000 1.193 62 I CA 0.773 62.088 61.300 0.025 0.000 1.402 62 I CB -0.126 37.907 38.000 0.055 0.000 1.284 62 I HN 0.685 nan 8.210 nan 0.000 0.454 63 A N 0.584 123.394 122.820 -0.017 0.000 2.594 63 A HA 0.745 5.090 4.320 0.041 0.000 0.295 63 A C -1.368 176.105 177.584 -0.186 0.000 1.071 63 A CA -0.365 51.570 52.037 -0.170 0.000 0.685 63 A CB 2.022 20.903 19.000 -0.198 0.000 1.285 63 A HN -0.161 nan 8.150 nan 0.000 0.405 64 V N 1.233 120.912 119.914 -0.391 0.000 2.686 64 V HA 0.672 4.817 4.120 0.041 0.000 0.306 64 V C -1.292 174.574 176.094 -0.381 0.000 1.065 64 V CA -0.328 61.859 62.300 -0.188 0.000 0.894 64 V CB 1.490 33.257 31.823 -0.093 0.000 1.004 64 V HN 0.757 nan 8.190 nan 0.000 0.424 65 F N 1.239 121.288 119.950 0.164 0.000 2.561 65 F HA 0.810 5.362 4.527 0.042 0.000 0.321 65 F C 0.505 176.418 175.800 0.189 0.000 1.065 65 F CA -0.474 57.617 58.000 0.152 0.000 0.934 65 F CB 2.597 41.691 39.000 0.158 0.000 1.215 65 F HN 0.366 nan 8.300 nan 0.000 0.471 66 T N 0.067 114.826 114.554 0.342 0.000 2.883 66 T HA 0.508 4.883 4.350 0.041 0.000 0.296 66 T C 0.732 175.556 174.700 0.207 0.000 1.117 66 T CA -0.056 62.186 62.100 0.236 0.000 1.006 66 T CB 1.826 70.773 68.868 0.132 0.000 1.191 66 T HN 0.676 nan 8.240 nan 0.000 0.508 67 A N 1.042 123.956 122.820 0.157 0.000 1.948 67 A HA -0.004 4.341 4.320 0.041 0.000 0.220 67 A C 2.426 180.076 177.584 0.110 0.000 1.177 67 A CA 2.423 54.536 52.037 0.127 0.000 0.636 67 A CB -1.151 17.912 19.000 0.104 0.000 0.815 67 A HN 0.963 nan 8.150 nan 0.000 0.449 68 A N -0.076 122.802 122.820 0.095 0.000 1.940 68 A HA -0.206 4.139 4.320 0.041 0.000 0.219 68 A C 1.653 179.292 177.584 0.091 0.000 1.176 68 A CA 1.795 53.876 52.037 0.074 0.000 0.631 68 A CB -0.511 18.520 19.000 0.052 0.000 0.814 68 A HN 0.539 nan 8.150 nan 0.000 0.446 69 D N -0.300 120.184 120.400 0.140 0.000 2.347 69 D HA 0.049 4.714 4.640 0.041 0.000 0.215 69 D C 0.418 176.842 176.300 0.206 0.000 0.976 69 D CA 0.197 54.313 54.000 0.193 0.000 0.884 69 D CB -0.162 40.811 40.800 0.288 0.000 0.915 69 D HN 0.379 nan 8.370 nan 0.000 0.526 70 L N 3.036 124.354 121.223 0.159 0.000 2.477 70 L HA 0.026 4.391 4.340 0.041 0.000 0.272 70 L C -0.718 176.207 176.870 0.092 0.000 1.157 70 L CA -1.033 53.881 54.840 0.124 0.000 0.889 70 L CB 0.595 42.719 42.059 0.108 0.000 1.158 70 L HN -0.142 nan 8.230 nan 0.000 0.473 71 P HA -0.117 nan 4.420 nan 0.000 0.216 71 P C 0.281 177.495 177.300 -0.143 0.000 1.153 71 P CA 1.595 64.724 63.100 0.049 0.000 0.848 71 P CB 0.375 32.209 31.700 0.224 0.000 0.787 72 H N -1.888 117.217 119.070 0.057 0.000 4.162 72 H HA 0.284 4.865 4.556 0.042 0.000 0.374 72 H C -0.083 175.280 175.328 0.059 0.000 1.389 72 H CA -0.602 55.481 56.048 0.058 0.000 1.108 72 H CB -0.796 29.005 29.762 0.065 0.000 0.909 72 H HN -0.208 nan 8.280 nan 0.000 0.731 73 D N 0.908 121.444 120.400 0.226 0.000 2.472 73 D HA 0.013 4.678 4.640 0.041 0.000 0.237 73 D C -0.008 176.356 176.300 0.106 0.000 1.141 73 D CA 0.444 54.521 54.000 0.129 0.000 0.875 73 D CB 0.237 41.102 40.800 0.108 0.000 1.192 73 D HN 0.324 nan 8.370 nan 0.000 0.450 74 N N 1.890 120.639 118.700 0.082 0.000 2.990 74 N HA 0.121 4.886 4.740 0.041 0.000 0.288 74 N C -1.787 173.762 175.510 0.065 0.000 1.624 74 N CA -0.523 52.575 53.050 0.079 0.000 0.961 74 N CB 0.054 38.595 38.487 0.090 0.000 1.259 74 N HN 0.234 nan 8.380 nan 0.000 0.489 75 D N -0.111 120.313 120.400 0.041 0.000 2.602 75 D HA 0.460 5.125 4.640 0.041 0.000 0.245 75 D C -0.124 176.161 176.300 -0.025 0.000 1.325 75 D CA -0.533 53.477 54.000 0.016 0.000 0.952 75 D CB 1.366 42.171 40.800 0.010 0.000 1.317 75 D HN 0.188 nan 8.370 nan 0.000 0.577 76 A N 2.724 125.491 122.820 -0.089 0.000 2.308 76 A HA 0.223 4.568 4.320 0.041 0.000 0.217 76 A C 1.053 178.566 177.584 -0.118 0.000 1.216 76 A CA -0.189 51.718 52.037 -0.217 0.000 0.864 76 A CB 0.123 18.693 19.000 -0.718 0.000 0.902 76 A HN 0.412 nan 8.150 nan 0.000 0.499 77 S N 1.360 117.022 115.700 -0.064 0.000 2.533 77 S HA 0.245 4.740 4.470 0.041 0.000 0.282 77 S C -1.044 173.524 174.600 -0.053 0.000 1.304 77 S CA -0.934 57.233 58.200 -0.056 0.000 1.063 77 S CB 0.757 63.912 63.200 -0.075 0.000 0.881 77 S HN 0.328 nan 8.310 nan 0.000 0.493 78 P HA 0.139 nan 4.420 nan 0.000 0.233 78 P C -0.043 177.235 177.300 -0.036 0.000 1.167 78 P CA 0.314 63.392 63.100 -0.037 0.000 0.770 78 P CB 0.010 31.722 31.700 0.020 0.000 0.837 79 A N 0.655 123.445 122.820 -0.050 0.000 2.294 79 A HA 0.557 4.902 4.320 0.041 0.000 0.330 79 A C -1.581 175.977 177.584 -0.044 0.000 1.133 79 A CA -1.677 50.330 52.037 -0.049 0.000 0.836 79 A CB 0.239 19.185 19.000 -0.091 0.000 1.190 79 A HN -0.163 nan 8.150 nan 0.000 0.492 80 P HA -0.064 nan 4.420 nan 0.000 0.218 80 P C 0.289 177.576 177.300 -0.020 0.000 1.148 80 P CA 1.071 64.162 63.100 -0.015 0.000 0.822 80 P CB -0.014 31.684 31.700 -0.003 0.000 0.784 81 S N 1.867 117.548 115.700 -0.032 0.000 2.549 81 S HA 0.160 4.654 4.470 0.041 0.000 0.286 81 S C -2.125 172.451 174.600 -0.040 0.000 1.314 81 S CA -1.036 57.147 58.200 -0.029 0.000 1.062 81 S CB -0.633 62.544 63.200 -0.039 0.000 0.865 81 S HN 0.143 nan 8.310 nan 0.000 0.498 82 P HA 0.104 nan 4.420 nan 0.000 0.268 82 P C -0.659 176.628 177.300 -0.022 0.000 1.205 82 P CA -0.027 63.069 63.100 -0.006 0.000 0.771 82 P CB 0.445 32.160 31.700 0.024 0.000 0.858 83 E N 3.776 123.972 120.200 -0.006 0.000 2.409 83 E HA 0.290 4.665 4.350 0.041 0.000 0.259 83 E C -2.559 174.124 176.600 0.139 0.000 0.932 83 E CA -2.587 53.822 56.400 0.016 0.000 0.809 83 E CB 1.615 31.254 29.700 -0.102 0.000 1.341 83 E HN 0.261 nan 8.360 nan 0.000 0.405 84 P HA -0.050 nan 4.420 nan 0.000 0.269 84 P C 0.677 178.112 177.300 0.225 0.000 1.215 84 P CA -0.170 63.056 63.100 0.210 0.000 0.780 84 P CB 1.539 33.379 31.700 0.233 0.000 0.898 85 V N 2.168 122.161 119.914 0.131 0.000 2.379 85 V HA -0.037 4.108 4.120 0.041 0.000 0.243 85 V C 1.270 177.403 176.094 0.065 0.000 1.035 85 V CA 1.356 63.734 62.300 0.130 0.000 1.035 85 V CB -0.489 31.391 31.823 0.094 0.000 0.673 85 V HN 0.395 nan 8.190 nan 0.000 0.457 86 L N 0.472 121.743 121.223 0.079 0.000 2.317 86 L HA 0.672 5.037 4.340 0.041 0.000 0.281 86 L C 0.254 177.171 176.870 0.078 0.000 1.024 86 L CA -0.733 54.138 54.840 0.050 0.000 0.810 86 L CB 1.402 43.527 42.059 0.111 0.000 1.240 86 L HN 0.147 nan 8.230 nan 0.000 0.427 87 A N 1.392 124.237 122.820 0.041 0.000 2.545 87 A HA 0.242 4.587 4.320 0.041 0.000 0.253 87 A C 0.707 178.342 177.584 0.085 0.000 1.074 87 A CA 0.039 52.112 52.037 0.061 0.000 0.760 87 A CB -0.341 18.659 19.000 -0.001 0.000 1.005 87 A HN 0.735 nan 8.150 nan 0.000 0.506 88 T N 1.045 115.668 114.554 0.115 0.000 3.477 88 T HA 0.504 4.879 4.350 0.041 0.000 0.347 88 T C 1.181 175.933 174.700 0.087 0.000 1.567 88 T CA 0.347 62.509 62.100 0.103 0.000 1.169 88 T CB -0.083 68.856 68.868 0.118 0.000 1.196 88 T HN 2.300 nan 8.240 nan 0.000 0.768 89 G N 2.411 111.245 108.800 0.057 0.000 2.284 89 G HA2 -0.219 3.766 3.960 0.041 0.000 0.247 89 G HA3 -0.219 3.766 3.960 0.041 0.000 0.247 89 G C -0.179 174.732 174.900 0.018 0.000 1.012 89 G CA 0.274 45.395 45.100 0.035 0.000 0.618 89 G HN 1.066 nan 8.290 nan 0.000 0.521 90 E N -1.147 119.061 120.200 0.013 0.000 2.430 90 E HA 0.663 5.038 4.350 0.041 0.000 0.279 90 E C -0.554 175.956 176.600 -0.150 0.000 1.003 90 E CA -0.800 55.563 56.400 -0.060 0.000 0.801 90 E CB 2.318 31.965 29.700 -0.088 0.000 1.313 90 E HN 1.054 nan 8.360 nan 0.000 0.459 91 V N -1.251 118.512 119.914 -0.253 0.000 2.715 91 V HA 0.492 4.637 4.120 0.041 0.000 0.310 91 V C -0.208 175.575 176.094 -0.517 0.000 1.054 91 V CA -0.558 61.553 62.300 -0.316 0.000 0.928 91 V CB 1.549 33.257 31.823 -0.192 0.000 1.007 91 V HN 0.900 nan 8.190 nan 0.000 0.437 92 H N 3.183 122.109 119.070 -0.240 0.000 3.058 92 H HA 0.390 4.971 4.556 0.041 0.000 0.266 92 H C -0.222 175.069 175.328 -0.062 0.000 1.135 92 H CA 0.693 56.681 56.048 -0.100 0.000 1.174 92 H CB 1.224 31.048 29.762 0.103 0.000 1.581 92 H HN 0.794 nan 8.280 nan 0.000 0.553 93 F N -1.737 117.999 119.950 -0.356 0.000 2.713 93 F HA 0.495 5.046 4.527 0.040 0.000 0.311 93 F C -1.609 174.049 175.800 -0.238 0.000 1.141 93 F CA -1.405 56.436 58.000 -0.266 0.000 0.939 93 F CB 0.948 39.786 39.000 -0.269 0.000 1.325 93 F HN -0.360 nan 8.300 nan 0.000 0.453 94 V N 2.687 122.498 119.914 -0.171 0.000 2.387 94 V HA 0.529 4.674 4.120 0.041 0.000 0.260 94 V C 0.713 176.614 176.094 -0.321 0.000 1.054 94 V CA 0.989 63.135 62.300 -0.256 0.000 0.967 94 V CB -0.244 31.533 31.823 -0.077 0.000 1.036 94 V HN 1.412 nan 8.190 nan 0.000 0.481 95 G N 3.645 112.066 108.800 -0.632 0.000 2.551 95 G HA2 -0.149 3.836 3.960 0.041 0.000 0.186 95 G HA3 -0.149 3.836 3.960 0.041 0.000 0.186 95 G C 0.283 174.638 174.900 -0.909 0.000 1.002 95 G CA -0.285 44.474 45.100 -0.568 0.000 0.723 95 G HN 0.548 nan 8.290 nan 0.000 0.481 96 Q N 1.956 120.799 119.800 -1.594 0.000 2.255 96 Q HA 0.284 4.648 4.340 0.041 0.000 0.280 96 Q C -2.283 173.366 176.000 -0.585 0.000 1.068 96 Q CA -1.251 53.878 55.803 -1.124 0.000 0.911 96 Q CB 0.740 28.838 28.738 -1.067 0.000 1.157 96 Q HN 0.157 nan 8.270 nan 0.000 0.380 97 P HA -0.046 nan 4.420 nan 0.000 0.263 97 P C -0.306 176.791 177.300 -0.337 0.000 1.195 97 P CA 0.732 63.492 63.100 -0.567 0.000 0.762 97 P CB 0.529 31.525 31.700 -1.174 0.000 0.799 98 I N 3.049 123.479 120.570 -0.233 0.000 3.136 98 I HA 0.131 4.326 4.170 0.041 0.000 0.262 98 I C 0.829 177.031 176.117 0.142 0.000 1.132 98 I CA 0.533 61.821 61.300 -0.020 0.000 1.450 98 I CB 0.034 38.083 38.000 0.082 0.000 1.315 98 I HN 0.251 nan 8.210 nan 0.000 0.460 99 F N 0.037 120.025 119.950 0.064 0.000 2.664 99 F HA 0.790 5.342 4.527 0.041 0.000 0.329 99 F C -1.165 174.817 175.800 0.304 0.000 1.090 99 F CA -1.467 56.628 58.000 0.158 0.000 0.978 99 F CB 1.371 40.438 39.000 0.112 0.000 1.378 99 F HN -0.278 nan 8.300 nan 0.000 0.495 100 L N 2.393 123.957 121.223 0.567 0.000 2.446 100 L HA 0.678 5.043 4.340 0.041 0.000 0.268 100 L C -1.518 175.654 176.870 0.505 0.000 0.975 100 L CA -0.613 54.520 54.840 0.488 0.000 0.848 100 L CB 1.672 44.008 42.059 0.463 0.000 1.225 100 L HN 0.617 nan 8.230 nan 0.000 0.410 101 V N 3.887 124.006 119.914 0.342 0.000 2.509 101 V HA 0.855 5.000 4.120 0.041 0.000 0.284 101 V C 0.413 176.631 176.094 0.208 0.000 1.047 101 V CA -0.194 62.269 62.300 0.272 0.000 0.952 101 V CB 1.225 33.177 31.823 0.215 0.000 0.988 101 V HN 0.923 nan 8.190 nan 0.000 0.469 102 A N 3.752 126.697 122.820 0.208 0.000 2.332 102 A HA 0.934 5.278 4.320 0.041 0.000 0.300 102 A C -0.169 177.493 177.584 0.130 0.000 1.153 102 A CA -0.076 52.067 52.037 0.177 0.000 0.764 102 A CB 1.211 20.361 19.000 0.251 0.000 1.174 102 A HN 1.359 nan 8.150 nan 0.000 0.467 103 A N 1.175 124.071 122.820 0.127 0.000 2.530 103 A HA 0.771 5.116 4.320 0.041 0.000 0.288 103 A C 1.014 178.680 177.584 0.138 0.000 1.172 103 A CA 0.259 52.360 52.037 0.106 0.000 0.733 103 A CB 0.357 19.406 19.000 0.081 0.000 1.320 103 A HN 1.540 nan 8.150 nan 0.000 0.419 104 T N -1.622 112.994 114.554 0.103 0.000 3.072 104 T HA 0.229 4.604 4.350 0.041 0.000 0.266 104 T C 0.675 175.427 174.700 0.086 0.000 1.127 104 T CA 1.204 63.373 62.100 0.115 0.000 1.107 104 T CB -0.732 68.177 68.868 0.067 0.000 0.910 104 T HN 1.764 nan 8.240 nan 0.000 0.513 105 S N -1.162 114.548 115.700 0.017 0.000 2.579 105 S HA 0.369 4.863 4.470 0.041 0.000 0.272 105 S C 0.472 175.026 174.600 -0.078 0.000 1.141 105 S CA -0.829 57.259 58.200 -0.186 0.000 0.843 105 S CB 1.319 64.442 63.200 -0.127 0.000 1.122 105 S HN 0.201 nan 8.310 nan 0.000 0.468 106 H N 1.557 120.456 119.070 -0.286 0.000 2.289 106 H HA -0.104 4.476 4.556 0.041 0.000 0.296 106 H C 1.984 177.299 175.328 -0.020 0.000 1.091 106 H CA 2.220 58.233 56.048 -0.058 0.000 1.274 106 H CB -0.074 29.654 29.762 -0.057 0.000 1.364 106 H HN 0.524 nan 8.280 nan 0.000 0.490 107 R N 0.482 121.022 120.500 0.068 0.000 2.112 107 R HA -0.151 4.213 4.340 0.041 0.000 0.242 107 R C 2.514 178.810 176.300 -0.007 0.000 1.137 107 R CA 1.326 57.443 56.100 0.028 0.000 0.944 107 R CB -1.079 29.242 30.300 0.035 0.000 0.857 107 R HN 0.459 nan 8.270 nan 0.000 0.435 108 A N 0.732 123.551 122.820 -0.001 0.000 1.873 108 A HA -0.208 4.136 4.320 0.041 0.000 0.218 108 A C 2.411 180.001 177.584 0.010 0.000 1.193 108 A CA 2.481 54.523 52.037 0.010 0.000 0.629 108 A CB -0.851 18.160 19.000 0.019 0.000 0.826 108 A HN 0.457 nan 8.150 nan 0.000 0.447 109 A N -0.700 122.119 122.820 -0.001 0.000 1.883 109 A HA -0.200 4.145 4.320 0.041 0.000 0.217 109 A C 2.266 179.830 177.584 -0.033 0.000 1.186 109 A CA 1.676 53.712 52.037 -0.002 0.000 0.624 109 A CB -0.516 18.474 19.000 -0.017 0.000 0.822 109 A HN 0.462 nan 8.150 nan 0.000 0.444 110 R N -0.526 119.911 120.500 -0.105 0.000 2.080 110 R HA -0.095 4.270 4.340 0.041 0.000 0.236 110 R C 2.098 178.388 176.300 -0.017 0.000 1.137 110 R CA 1.679 57.726 56.100 -0.088 0.000 0.943 110 R CB -0.931 29.300 30.300 -0.116 0.000 0.846 110 R HN 0.641 nan 8.270 nan 0.000 0.431 111 I N 0.725 121.293 120.570 -0.003 0.000 2.226 111 I HA -0.260 3.934 4.170 0.041 0.000 0.245 111 I C 2.532 178.672 176.117 0.039 0.000 1.100 111 I CA 1.379 62.690 61.300 0.018 0.000 1.374 111 I CB -0.368 37.642 38.000 0.017 0.000 1.057 111 I HN 0.139 nan 8.210 nan 0.000 0.413 112 A N 0.492 123.341 122.820 0.049 0.000 1.969 112 A HA -0.110 4.235 4.320 0.041 0.000 0.218 112 A C 2.493 180.165 177.584 0.146 0.000 1.169 112 A CA 1.586 53.671 52.037 0.080 0.000 0.635 112 A CB -0.714 18.335 19.000 0.081 0.000 0.810 112 A HN 0.431 nan 8.150 nan 0.000 0.445 113 A N -0.258 122.647 122.820 0.141 0.000 2.019 113 A HA -0.111 4.233 4.320 0.041 0.000 0.219 113 A C 2.071 179.784 177.584 0.215 0.000 1.164 113 A CA 1.333 53.490 52.037 0.200 0.000 0.644 113 A CB -0.367 18.651 19.000 0.029 0.000 0.805 113 A HN 0.512 nan 8.150 nan 0.000 0.449 114 R N -0.652 119.922 120.500 0.123 0.000 2.323 114 R HA 0.078 4.443 4.340 0.041 0.000 0.198 114 R C 0.676 177.038 176.300 0.103 0.000 0.988 114 R CA 0.619 56.777 56.100 0.097 0.000 1.041 114 R CB 0.021 30.351 30.300 0.049 0.000 0.926 114 R HN 0.419 nan 8.270 nan 0.000 0.476 115 K N -0.239 120.234 120.400 0.121 0.000 2.414 115 K HA 0.252 4.597 4.320 0.041 0.000 0.204 115 K C -0.142 176.471 176.600 0.022 0.000 1.026 115 K CA -0.272 56.050 56.287 0.059 0.000 1.108 115 K CB 1.434 33.954 32.500 0.034 0.000 0.855 115 K HN 0.022 nan 8.250 nan 0.000 0.517 116 A N 1.894 124.743 122.820 0.048 0.000 2.425 116 A HA 0.201 4.546 4.320 0.041 0.000 0.249 116 A C -0.155 177.408 177.584 -0.036 0.000 1.084 116 A CA -0.249 51.743 52.037 -0.075 0.000 0.781 116 A CB 0.255 19.168 19.000 -0.145 0.000 1.019 116 A HN 0.226 nan 8.150 nan 0.000 0.490 117 R N 2.086 122.538 120.500 -0.080 0.000 2.202 117 R HA 0.432 4.797 4.340 0.041 0.000 0.334 117 R C -1.029 175.207 176.300 -0.106 0.000 1.036 117 R CA 0.097 56.157 56.100 -0.066 0.000 0.878 117 R CB 0.494 30.755 30.300 -0.065 0.000 1.067 117 R HN 0.629 nan 8.270 nan 0.000 0.457 118 I N 2.386 122.889 120.570 -0.112 0.000 2.465 118 I HA 0.214 4.409 4.170 0.041 0.000 0.291 118 I C 0.384 176.317 176.117 -0.306 0.000 1.014 118 I CA -0.818 60.324 61.300 -0.264 0.000 1.093 118 I CB 2.323 40.101 38.000 -0.370 0.000 1.267 118 I HN 0.539 nan 8.210 nan 0.000 0.431 119 T N 2.278 116.636 114.554 -0.327 0.000 2.794 119 T HA 0.622 4.997 4.350 0.041 0.000 0.280 119 T C -0.821 173.683 174.700 -0.326 0.000 0.987 119 T CA -0.539 61.428 62.100 -0.222 0.000 0.993 119 T CB 0.873 69.681 68.868 -0.101 0.000 0.939 119 T HN 0.280 nan 8.240 nan 0.000 0.449 120 Y N 1.020 121.304 120.300 -0.027 0.000 2.567 120 Y HA 0.647 5.221 4.550 0.041 0.000 0.333 120 Y C 0.463 176.344 175.900 -0.030 0.000 1.106 120 Y CA -1.492 56.586 58.100 -0.036 0.000 1.157 120 Y CB 1.785 40.217 38.460 -0.046 0.000 1.277 120 Y HN 0.925 nan 8.280 nan 0.000 0.490 121 A N 3.098 126.000 122.820 0.136 0.000 2.654 121 A HA 0.555 4.900 4.320 0.041 0.000 0.345 121 A C -2.806 174.809 177.584 0.052 0.000 1.368 121 A CA -1.824 50.255 52.037 0.070 0.000 0.895 121 A CB -0.464 18.558 19.000 0.036 0.000 1.143 121 A HN 0.402 nan 8.150 nan 0.000 0.490 122 P HA 0.140 nan 4.420 nan 0.000 0.266 122 P C -0.154 177.139 177.300 -0.011 0.000 1.193 122 P CA 0.446 63.542 63.100 -0.007 0.000 0.770 122 P CB 0.492 32.182 31.700 -0.017 0.000 0.836 123 R N 2.799 123.283 120.500 -0.027 0.000 2.854 123 R HA 0.522 4.886 4.340 0.041 0.000 0.271 123 R C -2.384 173.904 176.300 -0.020 0.000 0.996 123 R CA -2.105 53.984 56.100 -0.018 0.000 0.961 123 R CB 0.719 31.008 30.300 -0.018 0.000 1.182 123 R HN 0.356 nan 8.270 nan 0.000 0.479 124 P HA 0.099 nan 4.420 nan 0.000 0.271 124 P C -1.134 176.160 177.300 -0.010 0.000 1.226 124 P CA -0.097 62.997 63.100 -0.009 0.000 0.765 124 P CB 0.957 32.655 31.700 -0.004 0.000 0.835 125 A N 4.477 127.288 122.820 -0.014 0.000 2.301 125 A HA 0.535 4.880 4.320 0.041 0.000 0.312 125 A C 0.146 177.720 177.584 -0.016 0.000 1.182 125 A CA -0.858 51.170 52.037 -0.015 0.000 0.826 125 A CB 0.237 19.221 19.000 -0.027 0.000 1.134 125 A HN 0.528 nan 8.150 nan 0.000 0.501 126 I N 3.288 123.848 120.570 -0.016 0.000 2.291 126 I HA 0.174 4.368 4.170 0.041 0.000 0.290 126 I C 0.252 176.334 176.117 -0.059 0.000 1.050 126 I CA 0.210 61.492 61.300 -0.031 0.000 1.245 126 I CB 0.747 38.730 38.000 -0.029 0.000 1.405 126 I HN 0.669 nan 8.210 nan 0.000 0.478 127 L N 4.455 125.633 121.223 -0.074 0.000 2.717 127 L HA 0.172 4.537 4.340 0.041 0.000 0.239 127 L C 0.968 177.744 176.870 -0.156 0.000 1.086 127 L CA 0.199 54.961 54.840 -0.132 0.000 0.897 127 L CB 0.413 42.409 42.059 -0.105 0.000 1.214 127 L HN 0.646 nan 8.230 nan 0.000 0.508 128 T N -3.500 110.997 114.554 -0.095 0.000 2.942 128 T HA 0.438 4.813 4.350 0.041 0.000 0.289 128 T C 1.157 175.812 174.700 -0.075 0.000 1.044 128 T CA -0.694 61.357 62.100 -0.081 0.000 1.023 128 T CB 1.756 70.601 68.868 -0.038 0.000 1.123 128 T HN -0.067 nan 8.240 nan 0.000 0.512 129 L N 0.503 121.686 121.223 -0.067 0.000 1.989 129 L HA -0.111 4.254 4.340 0.041 0.000 0.211 129 L C 2.369 179.201 176.870 -0.063 0.000 1.071 129 L CA 2.058 56.859 54.840 -0.066 0.000 0.749 129 L CB -0.932 41.093 42.059 -0.056 0.000 0.890 129 L HN 0.748 nan 8.230 nan 0.000 0.431 130 D N -0.474 119.896 120.400 -0.049 0.000 2.092 130 D HA -0.236 4.429 4.640 0.041 0.000 0.193 130 D C 2.206 178.477 176.300 -0.047 0.000 0.994 130 D CA 1.127 55.099 54.000 -0.046 0.000 0.828 130 D CB -0.250 40.532 40.800 -0.029 0.000 0.963 130 D HN 0.345 nan 8.370 nan 0.000 0.450 131 Q N 0.215 119.990 119.800 -0.042 0.000 2.096 131 Q HA -0.245 4.119 4.340 0.041 0.000 0.208 131 Q C 2.315 178.285 176.000 -0.049 0.000 0.993 131 Q CA 1.673 57.452 55.803 -0.040 0.000 0.862 131 Q CB -0.291 28.424 28.738 -0.038 0.000 0.915 131 Q HN 0.383 nan 8.270 nan 0.000 0.416 132 A N 0.411 123.194 122.820 -0.061 0.000 1.873 132 A HA -0.167 4.178 4.320 0.041 0.000 0.215 132 A C 2.005 179.545 177.584 -0.073 0.000 1.186 132 A CA 1.010 53.005 52.037 -0.070 0.000 0.616 132 A CB -0.641 18.312 19.000 -0.078 0.000 0.823 132 A HN 0.270 nan 8.150 nan 0.000 0.442 133 L N -0.079 121.095 121.223 -0.081 0.000 1.971 133 L HA -0.192 4.173 4.340 0.041 0.000 0.215 133 L C 2.963 179.790 176.870 -0.073 0.000 1.072 133 L CA 2.233 57.014 54.840 -0.099 0.000 0.758 133 L CB -1.130 40.854 42.059 -0.125 0.000 0.889 133 L HN 0.419 nan 8.230 nan 0.000 0.433 134 A N -0.928 121.857 122.820 -0.058 0.000 1.915 134 A HA -0.254 4.091 4.320 0.041 0.000 0.220 134 A C 2.177 179.739 177.584 -0.037 0.000 1.198 134 A CA 2.368 54.379 52.037 -0.042 0.000 0.647 134 A CB -1.096 17.884 19.000 -0.034 0.000 0.825 134 A HN 0.518 nan 8.150 nan 0.000 0.456 135 A N -1.795 121.001 122.820 -0.041 0.000 2.307 135 A HA 0.352 4.697 4.320 0.041 0.000 0.218 135 A C 0.700 178.260 177.584 -0.040 0.000 1.228 135 A CA 1.015 53.031 52.037 -0.036 0.000 0.857 135 A CB -0.418 18.561 19.000 -0.035 0.000 0.897 135 A HN 0.594 nan 8.150 nan 0.000 0.495 136 D N -0.478 119.895 120.400 -0.045 0.000 2.686 136 D HA -0.164 4.501 4.640 0.041 0.000 0.235 136 D C -0.006 176.254 176.300 -0.068 0.000 1.160 136 D CA 1.093 55.066 54.000 -0.046 0.000 0.645 136 D CB -1.302 39.480 40.800 -0.029 0.000 1.039 136 D HN 0.298 nan 8.370 nan 0.000 0.423 137 S N 0.487 116.134 115.700 -0.087 0.000 2.399 137 S HA 0.563 5.057 4.470 0.041 0.000 0.301 137 S C 0.077 174.562 174.600 -0.192 0.000 1.093 137 S CA -0.397 57.721 58.200 -0.137 0.000 1.077 137 S CB 0.304 63.435 63.200 -0.115 0.000 0.980 137 S HN 0.469 nan 8.310 nan 0.000 0.494 138 R N 2.787 123.121 120.500 -0.278 0.000 2.829 138 R HA 0.539 4.904 4.340 0.041 0.000 0.267 138 R C -1.660 174.328 176.300 -0.520 0.000 1.051 138 R CA -0.830 55.087 56.100 -0.305 0.000 0.927 138 R CB 0.456 30.704 30.300 -0.086 0.000 1.292 138 R HN 0.435 nan 8.270 nan 0.000 0.445 139 F N 0.197 120.134 119.950 -0.020 0.000 2.575 139 F HA 0.381 4.933 4.527 0.042 0.000 0.330 139 F C 0.707 176.494 175.800 -0.021 0.000 1.056 139 F CA -0.371 57.613 58.000 -0.028 0.000 0.964 139 F CB 1.710 40.684 39.000 -0.043 0.000 1.258 139 F HN 0.870 nan 8.300 nan 0.000 0.484 140 E N -0.267 120.046 120.200 0.188 0.000 3.991 140 E HA -0.225 4.150 4.350 0.041 0.000 0.331 140 E C 0.631 177.262 176.600 0.052 0.000 0.628 140 E CA 0.759 57.215 56.400 0.092 0.000 1.192 140 E CB -1.685 28.056 29.700 0.068 0.000 1.683 140 E HN 1.225 nan 8.360 nan 0.000 0.416 141 G N 0.900 109.723 108.800 0.038 0.000 3.341 141 G HA2 0.242 4.227 3.960 0.041 0.000 0.374 141 G HA3 0.242 4.227 3.960 0.041 0.000 0.374 141 G C 0.465 175.378 174.900 0.022 0.000 0.885 141 G CA 0.739 45.849 45.100 0.017 0.000 0.740 141 G HN 1.298 nan 8.290 nan 0.000 0.390 142 G N 3.187 112.003 108.800 0.027 0.000 2.785 142 G HA2 0.237 4.221 3.960 0.041 0.000 0.685 142 G HA3 0.237 4.221 3.960 0.041 0.000 0.685 142 G C -1.156 173.747 174.900 0.005 0.000 1.480 142 G CA 0.149 45.270 45.100 0.035 0.000 0.915 142 G HN 1.361 nan 8.290 nan 0.000 0.576 143 P HA 0.512 nan 4.420 nan 0.000 0.277 143 P C -0.135 177.064 177.300 -0.168 0.000 1.276 143 P CA -0.401 62.562 63.100 -0.228 0.000 0.788 143 P CB 0.849 32.198 31.700 -0.585 0.000 1.114 144 V N 1.072 120.848 119.914 -0.230 0.000 2.435 144 V HA 0.391 4.536 4.120 0.041 0.000 0.290 144 V C 0.409 176.338 176.094 -0.276 0.000 1.030 144 V CA -0.467 61.709 62.300 -0.206 0.000 0.881 144 V CB 1.032 32.707 31.823 -0.247 0.000 0.983 144 V HN 0.316 nan 8.190 nan 0.000 0.445 145 I N 4.010 124.494 120.570 -0.144 0.000 2.447 145 I HA 0.461 4.655 4.170 0.041 0.000 0.287 145 I C -1.120 175.102 176.117 0.176 0.000 1.023 145 I CA -0.357 60.907 61.300 -0.059 0.000 1.083 145 I CB 1.859 39.867 38.000 0.014 0.000 1.245 145 I HN 0.490 nan 8.210 nan 0.000 0.434 146 W N 4.623 125.971 121.300 0.081 0.000 2.689 146 W HA 0.818 5.502 4.660 0.041 0.000 0.340 146 W C -0.249 176.342 176.519 0.120 0.000 1.060 146 W CA -1.508 55.912 57.345 0.125 0.000 1.218 146 W CB 1.875 31.455 29.460 0.201 0.000 1.410 146 W HN 0.432 nan 8.180 nan 0.000 0.528 147 A N 2.972 126.006 122.820 0.357 0.000 2.488 147 A HA 0.758 5.103 4.320 0.041 0.000 0.298 147 A C -1.190 176.513 177.584 0.197 0.000 1.044 147 A CA -0.846 51.327 52.037 0.227 0.000 0.693 147 A CB 2.101 21.196 19.000 0.158 0.000 1.272 147 A HN 0.527 nan 8.150 nan 0.000 0.402 148 R N 1.896 122.499 120.500 0.171 0.000 2.473 148 R HA 0.555 4.920 4.340 0.041 0.000 0.303 148 R C 0.561 176.917 176.300 0.094 0.000 1.002 148 R CA 0.848 57.033 56.100 0.142 0.000 0.884 148 R CB 1.030 31.439 30.300 0.181 0.000 1.173 148 R HN 2.360 nan 8.270 nan 0.000 0.464 149 G N 3.282 112.128 108.800 0.077 0.000 2.539 149 G HA2 -0.300 3.685 3.960 0.041 0.000 0.256 149 G HA3 -0.300 3.685 3.960 0.041 0.000 0.256 149 G C -1.021 173.909 174.900 0.049 0.000 1.233 149 G CA 0.238 45.371 45.100 0.055 0.000 0.936 149 G HN 0.583 nan 8.290 nan 0.000 0.571 150 D N 0.068 120.488 120.400 0.033 0.000 2.462 150 D HA 0.537 5.202 4.640 0.041 0.000 0.245 150 D C 1.566 177.874 176.300 0.014 0.000 1.122 150 D CA 0.211 54.227 54.000 0.027 0.000 0.864 150 D CB 1.301 42.114 40.800 0.022 0.000 1.098 150 D HN 0.841 nan 8.370 nan 0.000 0.541 151 V N 2.099 122.021 119.914 0.014 0.000 2.407 151 V HA -0.021 4.124 4.120 0.041 0.000 0.245 151 V C 2.087 178.174 176.094 -0.012 0.000 1.041 151 V CA 0.764 63.061 62.300 -0.004 0.000 1.040 151 V CB -0.614 31.204 31.823 -0.007 0.000 0.671 151 V HN 0.331 nan 8.190 nan 0.000 0.455 152 E N 1.577 121.775 120.200 -0.004 0.000 2.035 152 E HA -0.208 4.167 4.350 0.041 0.000 0.204 152 E C 2.294 178.888 176.600 -0.010 0.000 1.025 152 E CA 2.699 59.094 56.400 -0.007 0.000 0.835 152 E CB -1.188 28.513 29.700 0.001 0.000 0.764 152 E HN 0.694 nan 8.360 nan 0.000 0.457 153 T N 0.558 115.109 114.554 -0.005 0.000 2.580 153 T HA -0.259 4.116 4.350 0.041 0.000 0.265 153 T C 1.816 176.508 174.700 -0.013 0.000 1.063 153 T CA 2.354 64.450 62.100 -0.006 0.000 1.170 153 T CB -0.791 68.077 68.868 0.001 0.000 0.863 153 T HN 0.374 nan 8.240 nan 0.000 0.418 154 A N 0.915 123.727 122.820 -0.013 0.000 1.917 154 A HA -0.057 4.287 4.320 0.041 0.000 0.219 154 A C 2.395 179.962 177.584 -0.029 0.000 1.182 154 A CA 1.493 53.518 52.037 -0.020 0.000 0.633 154 A CB -0.955 18.031 19.000 -0.023 0.000 0.819 154 A HN 0.488 nan 8.150 nan 0.000 0.448 155 L N -0.988 120.215 121.223 -0.034 0.000 2.027 155 L HA -0.171 4.194 4.340 0.041 0.000 0.206 155 L C 3.125 179.971 176.870 -0.040 0.000 1.074 155 L CA 1.000 55.815 54.840 -0.042 0.000 0.745 155 L CB -0.609 41.421 42.059 -0.048 0.000 0.898 155 L HN 0.435 nan 8.230 nan 0.000 0.433 156 A N 0.085 122.885 122.820 -0.033 0.000 1.997 156 A HA -0.207 4.137 4.320 0.041 0.000 0.221 156 A C 1.981 179.544 177.584 -0.034 0.000 1.172 156 A CA 2.000 54.018 52.037 -0.032 0.000 0.645 156 A CB -1.022 17.964 19.000 -0.023 0.000 0.813 156 A HN 0.499 nan 8.150 nan 0.000 0.454 157 G N -1.621 107.159 108.800 -0.033 0.000 3.605 157 G HA2 0.489 4.474 3.960 0.041 0.000 0.277 157 G HA3 0.489 4.474 3.960 0.041 0.000 0.277 157 G C 0.232 175.107 174.900 -0.042 0.000 1.093 157 G CA 0.559 45.639 45.100 -0.034 0.000 0.821 157 G HN 0.748 nan 8.290 nan 0.000 0.532 158 A N 0.082 122.873 122.820 -0.049 0.000 2.309 158 A HA 0.725 5.070 4.320 0.041 0.000 0.298 158 A C 1.516 179.047 177.584 -0.088 0.000 1.165 158 A CA 0.279 52.284 52.037 -0.052 0.000 0.821 158 A CB 1.099 20.074 19.000 -0.042 0.000 1.102 158 A HN 0.630 nan 8.150 nan 0.000 0.500 159 A N 1.878 124.633 122.820 -0.109 0.000 1.933 159 A HA 0.020 4.365 4.320 0.041 0.000 0.218 159 A C 0.942 178.230 177.584 -0.493 0.000 1.175 159 A CA 1.206 53.081 52.037 -0.270 0.000 0.628 159 A CB -0.394 18.462 19.000 -0.241 0.000 0.814 159 A HN 0.845 nan 8.150 nan 0.000 0.444 160 H N -2.271 116.759 119.070 -0.066 0.000 2.717 160 H HA 0.668 5.248 4.556 0.041 0.000 0.366 160 H C -1.477 173.791 175.328 -0.099 0.000 1.132 160 H CA -0.657 55.340 56.048 -0.084 0.000 1.180 160 H CB 1.600 31.310 29.762 -0.087 0.000 1.678 160 H HN 0.266 nan 8.280 nan 0.000 0.537 161 L N 1.417 122.635 121.223 -0.009 0.000 2.466 161 L HA 0.738 5.103 4.340 0.041 0.000 0.258 161 L C -1.422 175.360 176.870 -0.147 0.000 0.973 161 L CA -0.582 54.215 54.840 -0.072 0.000 0.826 161 L CB 1.955 43.968 42.059 -0.076 0.000 1.372 161 L HN 0.783 nan 8.230 nan 0.000 0.409 162 A N 3.467 126.188 122.820 -0.164 0.000 2.374 162 A HA 0.764 5.108 4.320 0.041 0.000 0.305 162 A C -1.331 176.167 177.584 -0.144 0.000 1.053 162 A CA -0.552 51.319 52.037 -0.278 0.000 0.726 162 A CB 1.380 20.117 19.000 -0.439 0.000 1.229 162 A HN 0.697 nan 8.150 nan 0.000 0.431 163 E N 0.805 120.876 120.200 -0.215 0.000 2.207 163 E HA 0.697 5.072 4.350 0.041 0.000 0.270 163 E C -0.103 176.273 176.600 -0.373 0.000 0.927 163 E CA -0.828 55.397 56.400 -0.291 0.000 0.799 163 E CB 2.490 32.078 29.700 -0.187 0.000 1.172 163 E HN 0.987 nan 8.360 nan 0.000 0.404 164 G N 0.272 108.569 108.800 -0.838 0.000 2.489 164 G HA2 0.454 4.438 3.960 0.041 0.000 0.291 164 G HA3 0.454 4.438 3.960 0.041 0.000 0.291 164 G C -1.030 173.573 174.900 -0.496 0.000 1.487 164 G CA -0.462 44.301 45.100 -0.563 0.000 0.795 164 G HN 0.755 nan 8.290 nan 0.000 0.513 165 C N -0.801 118.527 119.300 0.047 0.000 3.213 165 C HA 1.044 5.529 4.460 0.041 0.000 0.319 165 C C -0.955 174.374 174.990 0.565 0.000 1.386 165 C CA -1.263 57.944 59.018 0.315 0.000 1.494 165 C CB 0.784 28.633 27.740 0.182 0.000 1.905 165 C HN 1.919 nan 8.230 nan 0.000 0.456 166 F N -1.419 118.670 119.950 0.232 0.000 2.708 166 F HA 0.648 5.200 4.527 0.041 0.000 0.309 166 F C -0.805 175.077 175.800 0.136 0.000 1.120 166 F CA -0.734 57.376 58.000 0.184 0.000 0.978 166 F CB 0.805 39.935 39.000 0.216 0.000 1.283 166 F HN 0.606 nan 8.300 nan 0.000 0.439 167 E N 3.214 123.425 120.200 0.019 0.000 2.366 167 E HA 0.495 4.870 4.350 0.041 0.000 0.266 167 E C -0.595 175.863 176.600 -0.236 0.000 1.051 167 E CA -0.279 56.064 56.400 -0.094 0.000 0.884 167 E CB 2.099 31.808 29.700 0.015 0.000 1.006 167 E HN 0.639 nan 8.360 nan 0.000 0.417 168 I N 1.334 121.769 120.570 -0.225 0.000 2.512 168 I HA 0.270 4.465 4.170 0.041 0.000 0.287 168 I C 0.539 176.632 176.117 -0.040 0.000 1.069 168 I CA -0.794 60.359 61.300 -0.246 0.000 1.056 168 I CB 2.074 39.907 38.000 -0.279 0.000 1.229 168 I HN 0.404 nan 8.210 nan 0.000 0.429 169 G N 3.651 112.410 108.800 -0.069 0.000 2.537 169 G HA2 0.538 4.523 3.960 0.041 0.000 0.273 169 G HA3 0.538 4.523 3.960 0.041 0.000 0.273 169 G C 0.321 175.404 174.900 0.305 0.000 1.189 169 G CA -0.241 44.915 45.100 0.094 0.000 0.881 169 G HN 0.700 nan 8.290 nan 0.000 0.535 170 G N -1.497 107.481 108.800 0.297 0.000 2.553 170 G HA2 0.488 4.473 3.960 0.041 0.000 0.278 170 G HA3 0.488 4.473 3.960 0.041 0.000 0.278 170 G C -0.338 174.745 174.900 0.306 0.000 1.349 170 G CA -0.267 45.010 45.100 0.296 0.000 1.037 170 G HN 0.673 nan 8.290 nan 0.000 0.508 171 Q N -1.321 118.564 119.800 0.142 0.000 2.309 171 Q HA 0.348 4.712 4.340 0.041 0.000 0.273 171 Q C -1.606 174.482 176.000 0.146 0.000 1.040 171 Q CA -0.709 55.171 55.803 0.129 0.000 0.834 171 Q CB 2.371 30.875 28.738 -0.390 0.000 1.345 171 Q HN 0.521 nan 8.270 nan 0.000 0.414 172 E N 0.939 121.185 120.200 0.077 0.000 2.249 172 E HA 0.174 4.548 4.350 0.041 0.000 0.280 172 E C -0.260 176.375 176.600 0.059 0.000 1.016 172 E CA 0.307 56.608 56.400 -0.165 0.000 0.830 172 E CB 0.761 30.016 29.700 -0.741 0.000 1.081 172 E HN 0.666 nan 8.360 nan 0.000 0.395 173 H N 3.944 122.949 119.070 -0.108 0.000 2.321 173 H HA 0.002 4.584 4.556 0.043 0.000 0.300 173 H C 0.133 175.321 175.328 -0.235 0.000 1.087 173 H CA 1.663 57.465 56.048 -0.411 0.000 1.319 173 H CB -0.274 29.108 29.762 -0.634 0.000 1.379 173 H HN 0.691 nan 8.280 nan 0.000 0.501 174 F N 0.345 120.035 119.950 -0.434 0.000 3.067 174 F HA -0.269 4.284 4.527 0.043 0.000 0.279 174 F C -0.683 175.038 175.800 -0.132 0.000 0.945 174 F CA -0.506 57.314 58.000 -0.300 0.000 0.948 174 F CB -1.687 37.272 39.000 -0.067 0.000 0.898 174 F HN 0.167 nan 8.300 nan 0.000 0.746 175 Y N -0.451 120.003 120.300 0.256 0.000 2.717 175 Y HA 0.116 4.693 4.550 0.045 0.000 0.330 175 Y C 1.031 176.999 175.900 0.113 0.000 1.217 175 Y CA -1.037 57.245 58.100 0.303 0.000 1.506 175 Y CB 0.047 38.621 38.460 0.190 0.000 1.268 175 Y HN 0.123 nan 8.280 nan 0.000 0.561 176 L N 1.427 122.841 121.223 0.318 0.000 2.141 176 L HA -0.076 4.289 4.340 0.041 0.000 0.209 176 L C 1.174 178.080 176.870 0.061 0.000 1.094 176 L CA 1.361 56.305 54.840 0.174 0.000 0.763 176 L CB -0.602 41.533 42.059 0.127 0.000 0.908 176 L HN 0.885 nan 8.230 nan 0.000 0.437 177 E N 0.164 120.367 120.200 0.006 0.000 2.229 177 E HA 0.316 4.691 4.350 0.041 0.000 0.283 177 E C 0.255 176.838 176.600 -0.027 0.000 1.030 177 E CA -0.201 56.150 56.400 -0.081 0.000 0.836 177 E CB 1.347 30.917 29.700 -0.217 0.000 1.068 177 E HN 0.186 nan 8.360 nan 0.000 0.401 178 G N 3.018 111.814 108.800 -0.007 0.000 2.516 178 G HA2 0.009 3.994 3.960 0.041 0.000 0.276 178 G HA3 0.009 3.994 3.960 0.041 0.000 0.276 178 G C -0.185 174.591 174.900 -0.206 0.000 1.390 178 G CA -0.487 44.625 45.100 0.020 0.000 1.050 178 G HN 0.571 nan 8.290 nan 0.000 0.519 179 Q N -0.326 119.379 119.800 -0.159 0.000 2.313 179 Q HA 0.476 4.841 4.340 0.041 0.000 0.266 179 Q C -0.009 175.825 176.000 -0.277 0.000 0.989 179 Q CA 0.233 55.868 55.803 -0.280 0.000 0.890 179 Q CB 1.246 29.798 28.738 -0.311 0.000 1.200 179 Q HN 0.643 nan 8.270 nan 0.000 0.396 180 A N 1.133 123.812 122.820 -0.236 0.000 2.574 180 A HA 0.869 5.214 4.320 0.041 0.000 0.297 180 A C -1.563 175.938 177.584 -0.138 0.000 1.062 180 A CA -0.104 51.827 52.037 -0.177 0.000 0.686 180 A CB 1.895 20.834 19.000 -0.101 0.000 1.285 180 A HN 0.710 nan 8.150 nan 0.000 0.403 181 A N 0.196 122.944 122.820 -0.119 0.000 2.587 181 A HA 0.870 5.215 4.320 0.041 0.000 0.293 181 A C -1.900 175.647 177.584 -0.062 0.000 1.087 181 A CA -0.437 51.550 52.037 -0.083 0.000 0.692 181 A CB 1.647 20.587 19.000 -0.101 0.000 1.291 181 A HN 2.210 nan 8.150 nan 0.000 0.407 182 L N 0.687 121.893 121.223 -0.027 0.000 2.580 182 L HA 0.790 5.155 4.340 0.041 0.000 0.266 182 L C -0.530 176.343 176.870 0.005 0.000 0.955 182 L CA 0.027 54.857 54.840 -0.016 0.000 0.886 182 L CB 1.510 43.575 42.059 0.010 0.000 1.263 182 L HN 1.398 nan 8.230 nan 0.000 0.406 183 A N 6.043 128.849 122.820 -0.024 0.000 2.303 183 A HA 0.822 5.166 4.320 0.041 0.000 0.320 183 A C -1.269 176.309 177.584 -0.011 0.000 1.192 183 A CA -0.443 51.580 52.037 -0.024 0.000 0.821 183 A CB 0.775 19.748 19.000 -0.045 0.000 1.188 183 A HN 0.700 nan 8.150 nan 0.000 0.492 184 L N 4.743 125.967 121.223 0.002 0.000 2.316 184 L HA 0.385 4.750 4.340 0.041 0.000 0.280 184 L C -2.265 174.602 176.870 -0.006 0.000 1.006 184 L CA -2.028 52.817 54.840 0.008 0.000 0.836 184 L CB 2.082 44.165 42.059 0.040 0.000 1.221 184 L HN 0.499 nan 8.230 nan 0.000 0.418 185 P HA 0.144 nan 4.420 nan 0.000 0.271 185 P C -0.800 176.496 177.300 -0.007 0.000 1.220 185 P CA -0.174 62.922 63.100 -0.007 0.000 0.768 185 P CB 1.393 33.094 31.700 0.000 0.000 0.848 186 A N 3.230 126.042 122.820 -0.014 0.000 2.702 186 A HA 0.315 4.660 4.320 0.041 0.000 0.305 186 A C 0.005 177.577 177.584 -0.020 0.000 1.213 186 A CA -0.592 51.436 52.037 -0.015 0.000 0.745 186 A CB -0.040 18.948 19.000 -0.020 0.000 1.161 186 A HN 0.574 nan 8.150 nan 0.000 0.445 187 E N 1.128 121.320 120.200 -0.014 0.000 2.332 187 E HA -0.253 4.122 4.350 0.041 0.000 0.162 187 E C 1.138 177.725 176.600 -0.022 0.000 1.637 187 E CA 1.110 57.500 56.400 -0.016 0.000 0.654 187 E CB -1.316 28.372 29.700 -0.020 0.000 1.072 187 E HN 2.181 nan 8.360 nan 0.000 0.336 188 G N -0.215 108.576 108.800 -0.014 0.000 2.234 188 G HA2 -0.313 3.671 3.960 0.041 0.000 0.260 188 G HA3 -0.313 3.671 3.960 0.041 0.000 0.260 188 G C 0.506 175.394 174.900 -0.020 0.000 0.987 188 G CA 0.369 45.460 45.100 -0.015 0.000 0.625 188 G HN 1.002 nan 8.290 nan 0.000 0.532 189 G N -1.501 107.283 108.800 -0.027 0.000 3.211 189 G HA2 0.904 4.888 3.960 0.041 0.000 0.262 189 G HA3 0.904 4.888 3.960 0.041 0.000 0.262 189 G C -0.441 174.440 174.900 -0.032 0.000 1.352 189 G CA 0.414 45.495 45.100 -0.031 0.000 1.004 189 G HN 1.626 nan 8.290 nan 0.000 0.559 190 V N -2.987 116.902 119.914 -0.041 0.000 2.962 190 V HA 0.850 4.995 4.120 0.041 0.000 0.313 190 V C -0.911 175.145 176.094 -0.064 0.000 1.099 190 V CA -0.999 61.273 62.300 -0.047 0.000 0.971 190 V CB 1.625 33.417 31.823 -0.051 0.000 1.028 190 V HN 0.599 nan 8.190 nan 0.000 0.430 191 V N 4.549 124.423 119.914 -0.068 0.000 2.448 191 V HA 0.543 4.688 4.120 0.041 0.000 0.295 191 V C -0.409 175.602 176.094 -0.138 0.000 1.025 191 V CA -0.436 61.793 62.300 -0.117 0.000 0.859 191 V CB 1.558 33.316 31.823 -0.109 0.000 0.988 191 V HN 0.747 nan 8.190 nan 0.000 0.431 192 I N 4.705 125.155 120.570 -0.199 0.000 2.330 192 I HA 0.442 4.637 4.170 0.041 0.000 0.289 192 I C -0.104 175.845 176.117 -0.280 0.000 1.001 192 I CA -0.373 60.826 61.300 -0.169 0.000 1.193 192 I CB 1.054 38.982 38.000 -0.121 0.000 1.345 192 I HN 0.568 nan 8.210 nan 0.000 0.461 193 H N 5.474 124.514 119.070 -0.050 0.000 2.458 193 H HA 0.585 5.127 4.556 -0.023 0.000 0.330 193 H C -0.146 175.150 175.328 -0.055 0.000 1.111 193 H CA -0.291 55.729 56.048 -0.047 0.000 1.245 193 H CB 2.470 32.207 29.762 -0.042 0.000 1.456 193 H HN 0.826 nan 8.280 nan 0.000 0.488 194 C N 0.612 119.941 119.300 0.049 0.000 3.321 194 C HA 0.470 4.954 4.460 0.041 0.000 0.329 194 C C 0.253 175.232 174.990 -0.018 0.000 1.394 194 C CA -1.133 57.880 59.018 -0.008 0.000 1.291 194 C CB 1.353 29.066 27.740 -0.045 0.000 1.606 194 C HN 0.712 nan 8.230 nan 0.000 0.463 195 S N 1.513 117.179 115.700 -0.057 0.000 2.695 195 S HA 0.644 5.139 4.470 0.041 0.000 0.275 195 S C -0.295 174.238 174.600 -0.111 0.000 1.203 195 S CA 0.245 58.400 58.200 -0.075 0.000 1.061 195 S CB -0.622 62.514 63.200 -0.106 0.000 1.152 195 S HN 1.596 nan 8.310 nan 0.000 0.495 196 S N 3.458 119.113 115.700 -0.074 0.000 2.540 196 S HA 0.389 4.884 4.470 0.041 0.000 0.275 196 S C 0.313 174.889 174.600 -0.039 0.000 1.123 196 S CA -0.618 57.544 58.200 -0.063 0.000 0.907 196 S CB 1.663 64.841 63.200 -0.037 0.000 1.081 196 S HN 0.700 nan 8.310 nan 0.000 0.476 197 Q N 1.557 121.339 119.800 -0.031 0.000 2.451 197 Q HA 0.119 4.483 4.340 0.041 0.000 0.206 197 Q C -0.072 175.960 176.000 0.052 0.000 0.947 197 Q CA 0.522 56.315 55.803 -0.016 0.000 0.937 197 Q CB 0.069 28.786 28.738 -0.035 0.000 1.025 197 Q HN 0.769 nan 8.270 nan 0.000 0.511 198 H N -0.558 118.488 119.070 -0.040 0.000 2.490 198 H HA 0.137 4.716 4.556 0.040 0.000 0.230 198 H C -2.243 173.057 175.328 -0.048 0.000 1.417 198 H CA -2.081 53.946 56.048 -0.036 0.000 1.449 198 H CB 1.217 30.962 29.762 -0.030 0.000 1.649 198 H HN -0.030 nan 8.280 nan 0.000 0.519 199 P HA -0.155 nan 4.420 nan 0.000 0.215 199 P C 1.553 178.839 177.300 -0.024 0.000 1.157 199 P CA 1.184 64.297 63.100 0.023 0.000 0.868 199 P CB 0.367 32.077 31.700 0.016 0.000 0.788 200 S N -0.256 115.480 115.700 0.060 0.000 2.374 200 S HA -0.247 4.247 4.470 0.041 0.000 0.227 200 S C 1.989 176.454 174.600 -0.224 0.000 1.037 200 S CA 1.582 59.764 58.200 -0.030 0.000 1.024 200 S CB -0.928 62.331 63.200 0.098 0.000 0.861 200 S HN 0.353 nan 8.310 nan 0.000 0.456 201 E N 0.698 120.565 120.200 -0.556 0.000 2.110 201 E HA -0.133 4.242 4.350 0.041 0.000 0.193 201 E C 1.891 178.307 176.600 -0.306 0.000 0.988 201 E CA 0.932 56.974 56.400 -0.597 0.000 0.804 201 E CB -0.072 29.020 29.700 -1.014 0.000 0.745 201 E HN 0.317 nan 8.360 nan 0.000 0.458 202 I N 1.379 121.805 120.570 -0.239 0.000 2.091 202 I HA -0.350 3.845 4.170 0.041 0.000 0.239 202 I C 2.666 178.680 176.117 -0.171 0.000 1.061 202 I CA 1.706 62.914 61.300 -0.153 0.000 1.317 202 I CB -1.470 36.463 38.000 -0.112 0.000 1.031 202 I HN 0.404 nan 8.210 nan 0.000 0.401 203 Q N 0.212 119.886 119.800 -0.210 0.000 2.062 203 Q HA -0.319 4.046 4.340 0.041 0.000 0.209 203 Q C 2.367 178.092 176.000 -0.459 0.000 0.996 203 Q CA 2.440 58.072 55.803 -0.286 0.000 0.859 203 Q CB -0.333 28.234 28.738 -0.285 0.000 0.920 203 Q HN 0.607 nan 8.270 nan 0.000 0.415 204 H N -0.072 118.586 119.070 -0.687 0.000 2.289 204 H HA -0.138 4.442 4.556 0.040 0.000 0.296 204 H C 1.985 177.112 175.328 -0.335 0.000 1.091 204 H CA 2.224 57.766 56.048 -0.842 0.000 1.274 204 H CB 0.268 29.756 29.762 -0.456 0.000 1.364 204 H HN 0.061 nan 8.280 nan 0.000 0.490 205 K N -0.067 120.354 120.400 0.035 0.000 2.031 205 K HA -0.062 4.283 4.320 0.041 0.000 0.205 205 K C 2.401 179.008 176.600 0.011 0.000 1.049 205 K CA 1.057 57.403 56.287 0.098 0.000 0.939 205 K CB -0.508 32.002 32.500 0.017 0.000 0.717 205 K HN 0.221 nan 8.250 nan 0.000 0.438 206 V N 1.916 121.786 119.914 -0.073 0.000 2.287 206 V HA -0.271 3.874 4.120 0.041 0.000 0.248 206 V C 2.525 178.564 176.094 -0.092 0.000 1.053 206 V CA 2.015 64.268 62.300 -0.078 0.000 1.027 206 V CB -0.909 30.854 31.823 -0.100 0.000 0.646 206 V HN 0.299 nan 8.190 nan 0.000 0.447 207 A N -0.564 122.152 122.820 -0.173 0.000 1.903 207 A HA -0.348 3.997 4.320 0.041 0.000 0.219 207 A C 1.986 179.479 177.584 -0.152 0.000 1.191 207 A CA 2.682 54.607 52.037 -0.186 0.000 0.638 207 A CB -1.035 17.806 19.000 -0.266 0.000 0.823 207 A HN 0.755 nan 8.150 nan 0.000 0.451 208 H N -1.286 117.767 119.070 -0.029 0.000 2.495 208 H HA 0.204 4.785 4.556 0.043 0.000 0.287 208 H C 2.299 177.628 175.328 0.001 0.000 1.033 208 H CA 0.792 56.838 56.048 -0.004 0.000 1.307 208 H CB 0.047 29.826 29.762 0.029 0.000 1.401 208 H HN 0.571 nan 8.280 nan 0.000 0.555 209 A N 0.350 123.229 122.820 0.099 0.000 1.975 209 A HA 0.012 4.357 4.320 0.041 0.000 0.215 209 A C 1.958 179.576 177.584 0.057 0.000 1.170 209 A CA 0.666 52.757 52.037 0.090 0.000 0.656 209 A CB -0.129 18.901 19.000 0.050 0.000 0.821 209 A HN 0.316 nan 8.150 nan 0.000 0.449 210 L N -1.396 119.799 121.223 -0.048 0.000 2.477 210 L HA 0.202 4.567 4.340 0.041 0.000 0.220 210 L C 1.530 178.135 176.870 -0.443 0.000 1.106 210 L CA 0.573 55.347 54.840 -0.110 0.000 0.851 210 L CB -0.224 41.788 42.059 -0.078 0.000 0.994 210 L HN 0.548 nan 8.230 nan 0.000 0.462 211 G N 1.342 109.785 108.800 -0.595 0.000 2.212 211 G HA2 -0.252 3.733 3.960 0.041 0.000 0.255 211 G HA3 -0.252 3.733 3.960 0.041 0.000 0.255 211 G C -0.155 174.546 174.900 -0.331 0.000 1.062 211 G CA -0.042 44.561 45.100 -0.828 0.000 0.815 211 G HN 0.214 nan 8.290 nan 0.000 0.497 212 L N -0.390 120.718 121.223 -0.191 0.000 2.322 212 L HA 0.854 5.218 4.340 0.041 0.000 0.269 212 L C 0.966 177.806 176.870 -0.051 0.000 1.012 212 L CA -0.779 54.010 54.840 -0.085 0.000 0.815 212 L CB 1.748 43.778 42.059 -0.048 0.000 1.295 212 L HN 0.307 nan 8.230 nan 0.000 0.438 213 A N 0.408 123.220 122.820 -0.013 0.000 2.332 213 A HA 0.338 4.683 4.320 0.041 0.000 0.258 213 A C 0.644 178.305 177.584 0.128 0.000 1.087 213 A CA -0.198 51.795 52.037 -0.073 0.000 0.802 213 A CB 0.094 18.922 19.000 -0.286 0.000 1.042 213 A HN 0.611 nan 8.150 nan 0.000 0.489 214 F N 0.604 120.433 119.950 -0.202 0.000 2.161 214 F HA -0.174 4.379 4.527 0.043 0.000 0.300 214 F C 2.282 178.087 175.800 0.007 0.000 1.089 214 F CA 2.112 60.034 58.000 -0.131 0.000 1.282 214 F CB -1.250 37.665 39.000 -0.141 0.000 1.010 214 F HN 0.900 nan 8.300 nan 0.000 0.485 215 H N -2.302 116.830 119.070 0.103 0.000 2.567 215 H HA 0.005 4.587 4.556 0.043 0.000 0.276 215 H C 0.539 175.869 175.328 0.003 0.000 1.016 215 H CA 0.725 56.795 56.048 0.035 0.000 1.186 215 H CB -0.242 29.529 29.762 0.014 0.000 1.351 215 H HN 0.130 nan 8.280 nan 0.000 0.605 216 D N 1.191 121.733 120.400 0.237 0.000 2.398 216 D HA 0.136 4.800 4.640 0.041 0.000 0.210 216 D C -0.358 175.943 176.300 0.003 0.000 1.094 216 D CA 0.119 54.148 54.000 0.048 0.000 0.839 216 D CB 1.305 42.147 40.800 0.069 0.000 0.963 216 D HN 0.178 nan 8.370 nan 0.000 0.506 217 V N 1.297 121.214 119.914 0.005 0.000 2.483 217 V HA 0.365 4.509 4.120 0.041 0.000 0.297 217 V C -0.057 175.999 176.094 -0.064 0.000 1.027 217 V CA -0.872 61.398 62.300 -0.051 0.000 0.855 217 V CB 2.750 34.518 31.823 -0.092 0.000 0.995 217 V HN -0.121 nan 8.190 nan 0.000 0.424 218 R N 3.595 124.045 120.500 -0.084 0.000 2.534 218 R HA 0.798 5.163 4.340 0.041 0.000 0.301 218 R C -1.916 174.300 176.300 -0.139 0.000 0.961 218 R CA -0.415 55.628 56.100 -0.094 0.000 0.871 218 R CB 2.116 32.364 30.300 -0.086 0.000 1.170 218 R HN 0.525 nan 8.270 nan 0.000 0.446 219 V N 4.106 123.941 119.914 -0.132 0.000 2.407 219 V HA 0.363 4.508 4.120 0.041 0.000 0.291 219 V C -0.583 175.426 176.094 -0.142 0.000 1.018 219 V CA -0.743 61.466 62.300 -0.152 0.000 0.842 219 V CB 1.591 33.345 31.823 -0.115 0.000 0.996 219 V HN 0.807 nan 8.190 nan 0.000 0.426 220 E N 4.428 124.501 120.200 -0.212 0.000 2.199 220 E HA 0.698 5.073 4.350 0.041 0.000 0.269 220 E C -0.817 175.762 176.600 -0.036 0.000 0.899 220 E CA -0.915 55.408 56.400 -0.129 0.000 0.772 220 E CB 2.323 31.930 29.700 -0.154 0.000 1.155 220 E HN 0.532 nan 8.360 nan 0.000 0.408 221 M N 3.302 122.907 119.600 0.009 0.000 2.106 221 M HA 0.265 4.770 4.480 0.041 0.000 0.241 221 M C -0.305 176.021 176.300 0.043 0.000 0.946 221 M CA -0.558 54.760 55.300 0.030 0.000 1.024 221 M CB 0.898 33.501 32.600 0.004 0.000 2.191 221 M HN 0.405 nan 8.290 nan 0.000 0.429 222 R N 3.498 124.030 120.500 0.053 0.000 2.062 222 R HA 0.251 4.616 4.340 0.041 0.000 0.229 222 R C -0.011 176.332 176.300 0.072 0.000 1.128 222 R CA 1.987 58.116 56.100 0.048 0.000 0.960 222 R CB 0.377 30.682 30.300 0.009 0.000 0.855 222 R HN 0.727 nan 8.270 nan 0.000 0.432 223 R N -1.540 118.983 120.500 0.039 0.000 2.690 223 R HA 0.376 4.741 4.340 0.041 0.000 0.269 223 R C -1.481 174.871 176.300 0.085 0.000 1.037 223 R CA -0.853 55.281 56.100 0.058 0.000 0.877 223 R CB 0.870 31.192 30.300 0.037 0.000 1.255 223 R HN 0.047 nan 8.270 nan 0.000 0.467 224 M N 0.822 120.481 119.600 0.098 0.000 2.528 224 M HA 0.404 4.909 4.480 0.041 0.000 0.321 224 M C 0.459 176.846 176.300 0.145 0.000 1.153 224 M CA -0.779 54.575 55.300 0.090 0.000 0.951 224 M CB 2.454 35.021 32.600 -0.055 0.000 1.705 224 M HN 0.937 nan 8.290 nan 0.000 0.451 225 G N 1.666 110.503 108.800 0.061 0.000 3.316 225 G HA2 0.479 4.463 3.960 0.041 0.000 0.255 225 G HA3 0.479 4.463 3.960 0.041 0.000 0.255 225 G C 0.416 175.293 174.900 -0.038 0.000 0.880 225 G CA 0.275 45.314 45.100 -0.102 0.000 1.956 225 G HN 1.107 nan 8.290 nan 0.000 0.634 226 G N -0.923 107.826 108.800 -0.085 0.000 2.722 226 G HA2 0.302 4.287 3.960 0.041 0.000 0.686 226 G HA3 0.302 4.287 3.960 0.041 0.000 0.686 226 G C 0.648 175.385 174.900 -0.271 0.000 1.282 226 G CA -0.331 44.623 45.100 -0.244 0.000 0.817 226 G HN 1.256 nan 8.290 nan 0.000 0.605 227 G N -0.513 107.951 108.800 -0.560 0.000 2.645 227 G HA2 0.533 4.518 3.960 0.041 0.000 0.208 227 G HA3 0.533 4.518 3.960 0.041 0.000 0.208 227 G C 0.894 175.733 174.900 -0.103 0.000 1.264 227 G CA 0.796 45.733 45.100 -0.272 0.000 0.586 227 G HN 1.691 nan 8.290 nan 0.000 0.952 228 F N 0.703 120.644 119.950 -0.016 0.000 3.048 228 F HA -0.210 4.343 4.527 0.043 0.000 0.287 228 F C 1.954 177.696 175.800 -0.097 0.000 0.796 228 F CA 1.066 59.033 58.000 -0.054 0.000 1.111 228 F CB -1.446 37.496 39.000 -0.097 0.000 1.320 228 F HN 1.114 nan 8.300 nan 0.000 0.430 229 G N -1.190 107.606 108.800 -0.006 0.000 2.238 229 G HA2 -0.143 3.841 3.960 0.041 0.000 0.217 229 G HA3 -0.143 3.841 3.960 0.041 0.000 0.217 229 G C 1.047 175.878 174.900 -0.116 0.000 0.996 229 G CA -0.034 45.083 45.100 0.029 0.000 0.632 229 G HN 1.187 nan 8.290 nan 0.000 0.503 230 G N -0.035 108.454 108.800 -0.518 0.000 2.776 230 G HA2 0.279 4.264 3.960 0.041 0.000 0.209 230 G HA3 0.279 4.264 3.960 0.041 0.000 0.209 230 G C 1.134 175.889 174.900 -0.242 0.000 1.145 230 G CA 1.350 45.987 45.100 -0.772 0.000 0.791 230 G HN 0.507 nan 8.290 nan 0.000 0.530 231 K N -0.493 119.797 120.400 -0.182 0.000 2.413 231 K HA 0.207 4.552 4.320 0.041 0.000 0.204 231 K C 1.550 178.127 176.600 -0.039 0.000 1.041 231 K CA -0.145 56.058 56.287 -0.140 0.000 1.082 231 K CB 0.658 33.029 32.500 -0.215 0.000 0.871 231 K HN 0.257 nan 8.250 nan 0.000 0.535 232 E N 0.635 120.835 120.200 0.001 0.000 2.110 232 E HA -0.162 4.212 4.350 0.041 0.000 0.193 232 E C 1.056 177.727 176.600 0.118 0.000 0.988 232 E CA 1.755 58.206 56.400 0.084 0.000 0.804 232 E CB 0.307 30.077 29.700 0.117 0.000 0.745 232 E HN 0.255 nan 8.360 nan 0.000 0.458 233 S N -2.058 113.697 115.700 0.092 0.000 2.615 233 S HA 0.093 4.588 4.470 0.041 0.000 0.277 233 S C 1.250 175.929 174.600 0.132 0.000 1.068 233 S CA -0.603 57.654 58.200 0.095 0.000 1.315 233 S CB 0.198 63.459 63.200 0.101 0.000 1.193 233 S HN 0.020 nan 8.310 nan 0.000 0.656 234 Q N 1.841 121.711 119.800 0.116 0.000 2.437 234 Q HA 0.166 4.531 4.340 0.041 0.000 0.210 234 Q C 1.855 177.958 176.000 0.172 0.000 0.972 234 Q CA 1.379 57.280 55.803 0.164 0.000 0.903 234 Q CB -0.901 27.902 28.738 0.109 0.000 0.967 234 Q HN 0.721 nan 8.270 nan 0.000 0.486 235 G N 0.700 109.546 108.800 0.077 0.000 2.484 235 G HA2 -0.211 3.774 3.960 0.041 0.000 0.218 235 G HA3 -0.211 3.774 3.960 0.041 0.000 0.218 235 G C 1.252 176.192 174.900 0.066 0.000 1.130 235 G CA 0.282 45.393 45.100 0.019 0.000 0.784 235 G HN 0.422 nan 8.290 nan 0.000 0.543 236 N N 0.076 118.842 118.700 0.111 0.000 2.104 236 N HA -0.159 4.606 4.740 0.041 0.000 0.190 236 N C 1.875 177.407 175.510 0.035 0.000 1.024 236 N CA 1.237 54.303 53.050 0.026 0.000 0.853 236 N CB -0.196 38.261 38.487 -0.050 0.000 1.008 236 N HN 0.405 nan 8.380 nan 0.000 0.424 237 H N 0.175 119.324 119.070 0.132 0.000 2.353 237 H HA -0.039 4.541 4.556 0.040 0.000 0.300 237 H C 1.856 177.317 175.328 0.222 0.000 1.090 237 H CA 0.953 57.150 56.048 0.248 0.000 1.327 237 H CB -0.288 29.717 29.762 0.405 0.000 1.383 237 H HN 0.106 nan 8.280 nan 0.000 0.508 238 L N 0.214 121.554 121.223 0.195 0.000 2.027 238 L HA -0.048 4.317 4.340 0.041 0.000 0.206 238 L C 2.695 179.542 176.870 -0.038 0.000 1.074 238 L CA 1.497 56.316 54.840 -0.035 0.000 0.745 238 L CB -0.979 40.937 42.059 -0.238 0.000 0.898 238 L HN 0.309 nan 8.230 nan 0.000 0.433 239 A N 0.097 122.901 122.820 -0.027 0.000 1.873 239 A HA -0.238 4.107 4.320 0.041 0.000 0.218 239 A C 2.345 179.908 177.584 -0.034 0.000 1.193 239 A CA 2.231 54.242 52.037 -0.043 0.000 0.629 239 A CB -0.976 17.994 19.000 -0.050 0.000 0.826 239 A HN 0.358 nan 8.150 nan 0.000 0.447 240 I N -0.302 120.264 120.570 -0.006 0.000 2.226 240 I HA -0.291 3.904 4.170 0.041 0.000 0.245 240 I C 2.969 179.078 176.117 -0.013 0.000 1.100 240 I CA 1.148 62.445 61.300 -0.005 0.000 1.374 240 I CB -0.309 37.698 38.000 0.011 0.000 1.057 240 I HN 0.369 nan 8.210 nan 0.000 0.413 241 A N -0.179 122.655 122.820 0.024 0.000 1.877 241 A HA -0.254 4.091 4.320 0.041 0.000 0.216 241 A C 2.467 179.980 177.584 -0.118 0.000 1.186 241 A CA 1.998 54.016 52.037 -0.031 0.000 0.620 241 A CB -1.364 17.620 19.000 -0.027 0.000 0.822 241 A HN 0.547 nan 8.150 nan 0.000 0.443 242 C N -1.010 118.231 119.300 -0.099 0.000 2.413 242 C HA -0.020 4.465 4.460 0.041 0.000 0.276 242 C C 3.341 178.277 174.990 -0.090 0.000 1.236 242 C CA 0.960 59.920 59.018 -0.097 0.000 1.735 242 C CB -1.435 26.255 27.740 -0.084 0.000 2.031 242 C HN 0.705 nan 8.230 nan 0.000 0.474 243 A N -0.226 122.547 122.820 -0.078 0.000 1.933 243 A HA -0.091 4.254 4.320 0.041 0.000 0.218 243 A C 2.285 179.822 177.584 -0.079 0.000 1.175 243 A CA 2.086 54.083 52.037 -0.067 0.000 0.628 243 A CB -0.622 18.343 19.000 -0.058 0.000 0.814 243 A HN 0.391 nan 8.150 nan 0.000 0.444 244 V N -0.469 119.369 119.914 -0.126 0.000 2.323 244 V HA -0.153 3.992 4.120 0.041 0.000 0.244 244 V C 3.045 178.975 176.094 -0.272 0.000 1.041 244 V CA 1.717 63.910 62.300 -0.179 0.000 1.025 244 V CB -1.001 30.684 31.823 -0.231 0.000 0.656 244 V HN 0.599 nan 8.190 nan 0.000 0.451 245 A N 0.023 122.611 122.820 -0.386 0.000 1.902 245 A HA -0.146 4.198 4.320 0.041 0.000 0.217 245 A C 2.407 179.997 177.584 0.010 0.000 1.181 245 A CA 2.149 54.054 52.037 -0.219 0.000 0.623 245 A CB -0.763 18.167 19.000 -0.115 0.000 0.818 245 A HN 0.565 nan 8.150 nan 0.000 0.443 246 A N -0.174 122.628 122.820 -0.029 0.000 1.877 246 A HA -0.176 4.169 4.320 0.041 0.000 0.216 246 A C 2.232 179.832 177.584 0.027 0.000 1.186 246 A CA 1.901 53.941 52.037 0.004 0.000 0.620 246 A CB -0.531 18.459 19.000 -0.016 0.000 0.822 246 A HN 0.581 nan 8.150 nan 0.000 0.443 247 R N -0.310 120.201 120.500 0.017 0.000 2.080 247 R HA -0.139 4.225 4.340 0.041 0.000 0.236 247 R C 2.304 178.653 176.300 0.083 0.000 1.137 247 R CA 1.819 57.944 56.100 0.041 0.000 0.943 247 R CB -0.527 29.795 30.300 0.037 0.000 0.846 247 R HN 0.416 nan 8.270 nan 0.000 0.431 248 A N -0.235 122.664 122.820 0.132 0.000 1.883 248 A HA -0.186 4.158 4.320 0.041 0.000 0.217 248 A C 2.211 179.896 177.584 0.169 0.000 1.186 248 A CA 2.245 54.411 52.037 0.215 0.000 0.624 248 A CB -0.949 18.334 19.000 0.472 0.000 0.822 248 A HN 0.678 nan 8.150 nan 0.000 0.444 249 T N -5.002 109.649 114.554 0.161 0.000 3.044 249 T HA 0.403 4.778 4.350 0.041 0.000 0.250 249 T C 1.465 176.208 174.700 0.073 0.000 1.081 249 T CA 1.083 63.252 62.100 0.115 0.000 1.040 249 T CB 0.129 69.070 68.868 0.122 0.000 0.962 249 T HN 1.755 nan 8.240 nan 0.000 0.506 250 G N 1.733 110.571 108.800 0.063 0.000 2.168 250 G HA2 -0.260 3.725 3.960 0.041 0.000 0.263 250 G HA3 -0.260 3.725 3.960 0.041 0.000 0.263 250 G C 0.146 175.065 174.900 0.032 0.000 0.977 250 G CA 0.197 45.321 45.100 0.041 0.000 0.659 250 G HN 0.677 nan 8.290 nan 0.000 0.533 251 R N -0.034 120.487 120.500 0.035 0.000 2.832 251 R HA 0.475 4.839 4.340 0.041 0.000 0.271 251 R C -2.783 173.523 176.300 0.010 0.000 0.996 251 R CA -2.120 53.995 56.100 0.025 0.000 0.977 251 R CB 1.490 31.810 30.300 0.033 0.000 1.168 251 R HN -0.014 nan 8.270 nan 0.000 0.482 252 P HA 0.049 nan 4.420 nan 0.000 0.268 252 P C -0.737 176.533 177.300 -0.050 0.000 1.204 252 P CA -0.080 63.007 63.100 -0.023 0.000 0.768 252 P CB 0.477 32.162 31.700 -0.025 0.000 0.842 253 C N 4.134 123.395 119.300 -0.064 0.000 2.498 253 C HA 0.549 5.034 4.460 0.041 0.000 0.316 253 C C 0.039 174.953 174.990 -0.126 0.000 1.209 253 C CA -0.373 58.589 59.018 -0.094 0.000 1.518 253 C CB 1.525 29.230 27.740 -0.059 0.000 2.147 253 C HN 0.508 nan 8.230 nan 0.000 0.483 254 K N 2.624 122.908 120.400 -0.194 0.000 2.371 254 K HA 0.745 5.090 4.320 0.041 0.000 0.251 254 K C -1.485 175.052 176.600 -0.104 0.000 0.934 254 K CA -0.457 55.727 56.287 -0.171 0.000 0.798 254 K CB 1.958 34.298 32.500 -0.267 0.000 1.204 254 K HN 0.813 nan 8.250 nan 0.000 0.427 255 M N 4.245 123.798 119.600 -0.078 0.000 2.267 255 M HA 0.395 4.899 4.480 0.041 0.000 0.289 255 M C -1.595 174.671 176.300 -0.058 0.000 1.043 255 M CA -0.631 54.634 55.300 -0.058 0.000 0.928 255 M CB 1.620 34.115 32.600 -0.175 0.000 1.613 255 M HN 0.570 nan 8.290 nan 0.000 0.450 256 R N 3.557 124.099 120.500 0.070 0.000 2.599 256 R HA 0.472 4.837 4.340 0.041 0.000 0.295 256 R C -1.744 174.698 176.300 0.237 0.000 0.963 256 R CA -0.784 55.338 56.100 0.037 0.000 0.883 256 R CB 1.124 31.431 30.300 0.013 0.000 1.171 256 R HN 0.631 nan 8.270 nan 0.000 0.450 257 Y N 1.337 121.687 120.300 0.083 0.000 2.465 257 Y HA -0.008 4.570 4.550 0.046 0.000 0.331 257 Y C 0.546 176.514 175.900 0.114 0.000 1.102 257 Y CA -0.525 57.633 58.100 0.096 0.000 1.358 257 Y CB 0.908 39.413 38.460 0.076 0.000 1.213 257 Y HN 0.635 nan 8.280 nan 0.000 0.525 258 D N 1.731 122.318 120.400 0.312 0.000 2.400 258 D HA -0.012 4.652 4.640 0.041 0.000 0.238 258 D C 1.246 177.622 176.300 0.128 0.000 1.157 258 D CA 0.117 54.237 54.000 0.200 0.000 0.889 258 D CB 0.881 41.782 40.800 0.169 0.000 1.199 258 D HN 0.454 nan 8.370 nan 0.000 0.436 259 R N 1.274 121.823 120.500 0.082 0.000 2.096 259 R HA -0.177 4.188 4.340 0.041 0.000 0.240 259 R C 1.215 177.536 176.300 0.035 0.000 1.139 259 R CA 2.104 58.219 56.100 0.027 0.000 0.952 259 R CB -0.149 30.156 30.300 0.008 0.000 0.854 259 R HN 0.603 nan 8.270 nan 0.000 0.436 260 D N -0.071 120.370 120.400 0.068 0.000 2.084 260 D HA -0.176 4.489 4.640 0.041 0.000 0.194 260 D C 1.251 177.532 176.300 -0.032 0.000 0.990 260 D CA 1.354 55.392 54.000 0.064 0.000 0.826 260 D CB -0.394 40.429 40.800 0.038 0.000 0.971 260 D HN 0.277 nan 8.370 nan 0.000 0.453 261 D N 0.915 121.276 120.400 -0.065 0.000 2.123 261 D HA -0.150 4.515 4.640 0.041 0.000 0.196 261 D C 1.754 177.907 176.300 -0.245 0.000 0.992 261 D CA 0.748 54.637 54.000 -0.185 0.000 0.833 261 D CB -0.435 40.237 40.800 -0.214 0.000 0.954 261 D HN 0.173 nan 8.370 nan 0.000 0.455 262 D N 0.040 120.386 120.400 -0.091 0.000 2.106 262 D HA -0.145 4.520 4.640 0.041 0.000 0.191 262 D C 2.023 178.328 176.300 0.008 0.000 0.997 262 D CA 0.992 55.014 54.000 0.037 0.000 0.834 262 D CB 0.017 40.913 40.800 0.159 0.000 0.956 262 D HN 0.193 nan 8.370 nan 0.000 0.448 263 M N 0.035 119.625 119.600 -0.017 0.000 2.394 263 M HA -0.085 4.420 4.480 0.041 0.000 0.264 263 M C 2.188 178.499 176.300 0.019 0.000 1.073 263 M CA 0.478 55.768 55.300 -0.017 0.000 1.111 263 M CB 0.229 32.820 32.600 -0.015 0.000 1.401 263 M HN -0.041 nan 8.290 nan 0.000 0.448 264 V N 0.072 119.992 119.914 0.010 0.000 2.685 264 V HA -0.088 4.056 4.120 0.041 0.000 0.244 264 V C 2.054 178.247 176.094 0.163 0.000 1.054 264 V CA 1.104 63.438 62.300 0.057 0.000 1.076 264 V CB -0.113 31.686 31.823 -0.040 0.000 0.725 264 V HN 0.361 nan 8.190 nan 0.000 0.467 265 I N 0.372 120.976 120.570 0.056 0.000 2.400 265 I HA -0.029 4.165 4.170 0.041 0.000 0.248 265 I C 1.591 177.791 176.117 0.139 0.000 1.109 265 I CA 0.895 62.273 61.300 0.129 0.000 1.425 265 I CB -0.380 37.555 38.000 -0.109 0.000 1.094 265 I HN 0.415 nan 8.210 nan 0.000 0.425 266 T N -0.407 114.205 114.554 0.096 0.000 2.788 266 T HA 0.471 4.846 4.350 0.041 0.000 0.287 266 T C 0.449 175.208 174.700 0.099 0.000 1.007 266 T CA -0.428 61.746 62.100 0.122 0.000 1.005 266 T CB 1.251 70.237 68.868 0.195 0.000 1.012 266 T HN 0.205 nan 8.240 nan 0.000 0.530 267 G N 0.126 108.993 108.800 0.112 0.000 2.547 267 G HA2 0.599 4.584 3.960 0.041 0.000 0.291 267 G HA3 0.599 4.584 3.960 0.041 0.000 0.291 267 G C -0.783 174.219 174.900 0.170 0.000 1.211 267 G CA -0.904 44.252 45.100 0.094 0.000 0.950 267 G HN 0.807 nan 8.290 nan 0.000 0.504 268 K N -1.211 119.250 120.400 0.101 0.000 2.372 268 K HA 0.443 4.788 4.320 0.041 0.000 0.251 268 K C 0.085 176.718 176.600 0.056 0.000 1.055 268 K CA -0.883 55.458 56.287 0.091 0.000 0.879 268 K CB 1.887 34.440 32.500 0.088 0.000 1.384 268 K HN 0.447 nan 8.250 nan 0.000 0.465 269 R N 0.875 121.429 120.500 0.091 0.000 2.679 269 R HA 0.019 4.383 4.340 0.041 0.000 0.268 269 R C -0.702 175.613 176.300 0.025 0.000 1.044 269 R CA 0.106 56.222 56.100 0.027 0.000 1.105 269 R CB 0.162 30.314 30.300 -0.248 0.000 0.989 269 R HN 0.531 nan 8.270 nan 0.000 0.447 270 H N 2.555 121.678 119.070 0.089 0.000 3.017 270 H HA -0.009 4.572 4.556 0.041 0.000 0.276 270 H C -0.264 175.233 175.328 0.282 0.000 1.062 270 H CA 0.335 56.465 56.048 0.136 0.000 1.486 270 H CB 0.220 30.067 29.762 0.142 0.000 1.507 270 H HN 0.503 nan 8.280 nan 0.000 0.508 271 D N 3.219 123.790 120.400 0.286 0.000 2.362 271 D HA 0.081 4.746 4.640 0.041 0.000 0.242 271 D C -0.244 176.198 176.300 0.236 0.000 1.132 271 D CA -0.016 54.164 54.000 0.300 0.000 0.907 271 D CB 1.051 41.974 40.800 0.204 0.000 1.195 271 D HN 0.283 nan 8.370 nan 0.000 0.429 272 F N -0.545 119.399 119.950 -0.010 0.000 2.576 272 F HA 0.368 4.920 4.527 0.041 0.000 0.313 272 F C 0.588 176.312 175.800 -0.127 0.000 1.078 272 F CA -1.211 56.744 58.000 -0.075 0.000 0.921 272 F CB 2.559 41.467 39.000 -0.153 0.000 1.232 272 F HN 0.109 nan 8.300 nan 0.000 0.459 273 R N 3.659 124.193 120.500 0.057 0.000 2.387 273 R HA 0.692 5.057 4.340 0.041 0.000 0.314 273 R C -1.667 174.699 176.300 0.111 0.000 0.958 273 R CA -0.415 55.697 56.100 0.020 0.000 0.846 273 R CB 1.006 31.323 30.300 0.028 0.000 1.147 273 R HN 0.710 nan 8.270 nan 0.000 0.447 274 I N 4.323 124.933 120.570 0.066 0.000 2.447 274 I HA 0.378 4.573 4.170 0.041 0.000 0.287 274 I C -0.268 176.115 176.117 0.442 0.000 1.023 274 I CA -0.737 60.739 61.300 0.292 0.000 1.083 274 I CB 1.974 40.120 38.000 0.243 0.000 1.245 274 I HN 0.469 nan 8.210 nan 0.000 0.434 275 R N 6.312 127.067 120.500 0.426 0.000 2.460 275 R HA 0.611 4.976 4.340 0.041 0.000 0.303 275 R C -1.712 174.810 176.300 0.371 0.000 0.968 275 R CA -0.474 55.810 56.100 0.308 0.000 0.889 275 R CB 1.459 31.855 30.300 0.159 0.000 1.123 275 R HN 0.577 nan 8.270 nan 0.000 0.455 276 Y N -0.188 120.209 120.300 0.162 0.000 2.562 276 Y HA 0.619 5.194 4.550 0.041 0.000 0.345 276 Y C -1.264 174.571 175.900 -0.109 0.000 1.045 276 Y CA -1.327 56.740 58.100 -0.056 0.000 1.028 276 Y CB 1.567 40.019 38.460 -0.014 0.000 1.297 276 Y HN 0.419 nan 8.280 nan 0.000 0.463 277 R N 3.099 123.543 120.500 -0.093 0.000 2.514 277 R HA 0.710 5.074 4.340 0.041 0.000 0.296 277 R C -1.943 174.292 176.300 -0.109 0.000 1.012 277 R CA -0.717 55.330 56.100 -0.089 0.000 0.897 277 R CB 2.177 32.413 30.300 -0.106 0.000 1.184 277 R HN 0.944 nan 8.270 nan 0.000 0.440 278 I N 1.610 122.153 120.570 -0.045 0.000 2.619 278 I HA 0.680 4.875 4.170 0.041 0.000 0.292 278 I C -1.023 175.052 176.117 -0.071 0.000 1.100 278 I CA -0.508 60.742 61.300 -0.084 0.000 1.043 278 I CB 2.145 40.094 38.000 -0.084 0.000 1.239 278 I HN 0.719 nan 8.210 nan 0.000 0.420 279 G N 5.318 114.075 108.800 -0.071 0.000 2.542 279 G HA2 0.800 4.785 3.960 0.041 0.000 0.311 279 G HA3 0.800 4.785 3.960 0.041 0.000 0.311 279 G C -1.463 173.411 174.900 -0.042 0.000 1.298 279 G CA -0.479 44.591 45.100 -0.050 0.000 0.973 279 G HN 0.850 nan 8.290 nan 0.000 0.487 280 A N 1.321 124.136 122.820 -0.007 0.000 2.350 280 A HA 0.813 5.158 4.320 0.041 0.000 0.318 280 A C -0.095 177.525 177.584 0.061 0.000 1.132 280 A CA -0.585 51.454 52.037 0.003 0.000 0.811 280 A CB 1.361 20.343 19.000 -0.030 0.000 1.313 280 A HN 0.820 nan 8.150 nan 0.000 0.454 281 D N -0.192 120.237 120.400 0.048 0.000 2.433 281 D HA 0.448 5.112 4.640 0.041 0.000 0.255 281 D C 0.924 177.314 176.300 0.150 0.000 1.226 281 D CA 0.144 54.182 54.000 0.064 0.000 1.015 281 D CB 0.844 41.660 40.800 0.026 0.000 1.091 281 D HN 0.478 nan 8.370 nan 0.000 0.527 282 A N -0.427 122.463 122.820 0.118 0.000 2.209 282 A HA -0.012 4.333 4.320 0.041 0.000 0.212 282 A C 1.827 179.476 177.584 0.108 0.000 1.158 282 A CA 1.317 53.464 52.037 0.183 0.000 0.742 282 A CB -0.874 18.174 19.000 0.080 0.000 0.790 282 A HN 0.567 nan 8.150 nan 0.000 0.472 283 S N -2.635 113.097 115.700 0.052 0.000 2.524 283 S HA 0.401 4.896 4.470 0.041 0.000 0.216 283 S C 1.366 175.958 174.600 -0.013 0.000 0.987 283 S CA 0.992 59.202 58.200 0.017 0.000 0.909 283 S CB 0.079 63.286 63.200 0.013 0.000 0.781 283 S HN 1.715 nan 8.310 nan 0.000 0.521 284 G N 0.862 109.653 108.800 -0.015 0.000 2.184 284 G HA2 -0.161 3.824 3.960 0.041 0.000 0.206 284 G HA3 -0.161 3.824 3.960 0.041 0.000 0.206 284 G C -0.082 174.782 174.900 -0.060 0.000 0.995 284 G CA -0.350 44.710 45.100 -0.067 0.000 0.651 284 G HN 0.390 nan 8.290 nan 0.000 0.511 285 K N 0.534 120.918 120.400 -0.026 0.000 2.237 285 K HA 0.469 4.814 4.320 0.041 0.000 0.270 285 K C 0.884 177.463 176.600 -0.034 0.000 1.015 285 K CA -0.441 55.833 56.287 -0.021 0.000 0.949 285 K CB 1.107 33.614 32.500 0.013 0.000 0.976 285 K HN 0.292 nan 8.250 nan 0.000 0.472 286 L N 3.761 124.952 121.223 -0.053 0.000 2.410 286 L HA 0.056 4.420 4.340 0.041 0.000 0.273 286 L C 1.571 178.393 176.870 -0.079 0.000 1.152 286 L CA -0.046 54.747 54.840 -0.079 0.000 0.855 286 L CB 0.286 42.284 42.059 -0.102 0.000 1.129 286 L HN 0.478 nan 8.230 nan 0.000 0.463 287 L N 2.660 123.842 121.223 -0.068 0.000 2.316 287 L HA 0.362 4.727 4.340 0.041 0.000 0.207 287 L C 0.860 177.683 176.870 -0.079 0.000 1.070 287 L CA 0.285 55.088 54.840 -0.062 0.000 0.820 287 L CB 0.237 42.273 42.059 -0.038 0.000 0.992 287 L HN 0.769 nan 8.230 nan 0.000 0.466 288 G N -0.811 107.940 108.800 -0.081 0.000 2.519 288 G HA2 0.603 4.588 3.960 0.041 0.000 0.292 288 G HA3 0.603 4.588 3.960 0.041 0.000 0.292 288 G C -2.126 172.722 174.900 -0.086 0.000 1.507 288 G CA 0.086 45.140 45.100 -0.076 0.000 0.806 288 G HN 0.032 nan 8.290 nan 0.000 0.523 289 A N 0.555 123.324 122.820 -0.085 0.000 2.408 289 A HA 0.751 5.096 4.320 0.041 0.000 0.295 289 A C -1.647 175.806 177.584 -0.218 0.000 1.040 289 A CA -0.489 51.442 52.037 -0.176 0.000 0.707 289 A CB 2.150 21.101 19.000 -0.080 0.000 1.235 289 A HN 0.714 nan 8.150 nan 0.000 0.418 290 D N 1.398 121.591 120.400 -0.345 0.000 2.492 290 D HA 0.689 5.353 4.640 0.041 0.000 0.248 290 D C -1.373 174.726 176.300 -0.336 0.000 1.101 290 D CA 0.118 53.983 54.000 -0.225 0.000 0.840 290 D CB 0.615 41.356 40.800 -0.098 0.000 1.209 290 D HN 0.263 nan 8.370 nan 0.000 0.524 291 F N 2.300 122.274 119.950 0.041 0.000 2.532 291 F HA 0.554 5.106 4.527 0.042 0.000 0.321 291 F C -0.270 175.525 175.800 -0.008 0.000 1.089 291 F CA -1.027 57.003 58.000 0.050 0.000 0.926 291 F CB 2.126 41.101 39.000 -0.041 0.000 1.168 291 F HN -0.000 nan 8.300 nan 0.000 0.459 292 V N 2.750 122.851 119.914 0.312 0.000 2.444 292 V HA 0.309 4.454 4.120 0.041 0.000 0.294 292 V C -0.725 175.612 176.094 0.405 0.000 1.022 292 V CA -0.691 61.761 62.300 0.253 0.000 0.850 292 V CB 1.492 33.451 31.823 0.227 0.000 0.992 292 V HN 0.725 nan 8.190 nan 0.000 0.426 293 H N 5.571 124.789 119.070 0.245 0.000 2.519 293 H HA 0.584 5.165 4.556 0.041 0.000 0.316 293 H C -0.798 174.634 175.328 0.173 0.000 1.065 293 H CA -0.750 55.451 56.048 0.256 0.000 1.264 293 H CB 1.458 31.383 29.762 0.272 0.000 1.413 293 H HN 0.418 nan 8.280 nan 0.000 0.465 294 L N 2.961 124.300 121.223 0.193 0.000 2.313 294 L HA 0.647 5.011 4.340 0.041 0.000 0.283 294 L C -0.258 176.425 176.870 -0.310 0.000 1.013 294 L CA -0.808 54.038 54.840 0.009 0.000 0.816 294 L CB 1.585 43.648 42.059 0.007 0.000 1.236 294 L HN 0.587 nan 8.230 nan 0.000 0.419 295 A N 3.659 126.229 122.820 -0.417 0.000 2.359 295 A HA 0.562 4.906 4.320 0.041 0.000 0.303 295 A C -0.714 176.717 177.584 -0.255 0.000 1.066 295 A CA -0.688 50.917 52.037 -0.719 0.000 0.730 295 A CB 1.486 19.840 19.000 -1.077 0.000 1.211 295 A HN 0.779 nan 8.150 nan 0.000 0.439 296 R N 2.456 122.866 120.500 -0.149 0.000 2.216 296 R HA 0.343 4.708 4.340 0.041 0.000 0.332 296 R C -0.471 175.868 176.300 0.066 0.000 1.056 296 R CA -0.228 55.847 56.100 -0.042 0.000 0.901 296 R CB 0.337 30.592 30.300 -0.076 0.000 1.039 296 R HN 0.739 nan 8.270 nan 0.000 0.456 297 C N 3.537 122.908 119.300 0.119 0.000 3.070 297 C HA 0.351 4.836 4.460 0.041 0.000 0.280 297 C C 1.144 176.171 174.990 0.061 0.000 1.264 297 C CA 0.395 59.523 59.018 0.183 0.000 1.690 297 C CB -0.891 27.017 27.740 0.278 0.000 2.049 297 C HN 1.149 nan 8.230 nan 0.000 0.636 298 G N 1.297 110.132 108.800 0.058 0.000 2.698 298 G HA2 -0.269 3.715 3.960 0.041 0.000 0.233 298 G HA3 -0.269 3.715 3.960 0.041 0.000 0.233 298 G C 0.447 175.460 174.900 0.188 0.000 1.352 298 G CA 0.206 45.342 45.100 0.059 0.000 0.879 298 G HN 0.666 nan 8.290 nan 0.000 0.567 299 W N 0.712 122.021 121.300 0.014 0.000 2.800 299 W HA 0.410 5.094 4.660 0.040 0.000 0.249 299 W C 0.687 177.324 176.519 0.196 0.000 1.294 299 W CA 1.254 58.660 57.345 0.102 0.000 1.402 299 W CB -1.203 28.326 29.460 0.115 0.000 1.126 299 W HN 1.492 nan 8.180 nan 0.000 0.652 300 S N -1.474 113.878 115.700 -0.581 0.000 2.579 300 S HA 0.654 5.148 4.470 0.041 0.000 0.272 300 S C 0.673 174.825 174.600 -0.748 0.000 1.141 300 S CA -0.176 57.602 58.200 -0.703 0.000 0.843 300 S CB 1.607 63.972 63.200 -1.393 0.000 1.122 300 S HN 0.118 nan 8.310 nan 0.000 0.468 301 A N 1.545 123.854 122.820 -0.852 0.000 1.892 301 A HA -0.005 4.340 4.320 0.041 0.000 0.218 301 A C 1.277 178.562 177.584 -0.500 0.000 1.188 301 A CA 2.395 53.870 52.037 -0.937 0.000 0.631 301 A CB -1.962 16.681 19.000 -0.595 0.000 0.822 301 A HN 1.334 nan 8.150 nan 0.000 0.447 302 D N -2.052 118.145 120.400 -0.337 0.000 3.910 302 D HA -0.257 4.408 4.640 0.041 0.000 0.153 302 D C 0.445 176.702 176.300 -0.072 0.000 0.802 302 D CA 2.489 56.395 54.000 -0.157 0.000 1.009 302 D CB -1.010 39.725 40.800 -0.109 0.000 0.453 302 D HN 0.227 nan 8.370 nan 0.000 0.422 303 L N 0.125 121.354 121.223 0.009 0.000 2.910 303 L HA 0.300 4.665 4.340 0.041 0.000 0.252 303 L C 1.715 178.574 176.870 -0.018 0.000 1.195 303 L CA -0.117 54.779 54.840 0.093 0.000 1.003 303 L CB 0.413 42.634 42.059 0.270 0.000 1.328 303 L HN 0.134 nan 8.230 nan 0.000 0.540 304 S N 0.559 116.210 115.700 -0.082 0.000 2.370 304 S HA -0.198 4.297 4.470 0.041 0.000 0.226 304 S C 1.886 176.360 174.600 -0.210 0.000 1.033 304 S CA 1.508 59.590 58.200 -0.196 0.000 1.011 304 S CB -0.083 63.028 63.200 -0.149 0.000 0.852 304 S HN 0.488 nan 8.310 nan 0.000 0.457 305 L N 2.337 123.492 121.223 -0.114 0.000 1.989 305 L HA -0.075 4.289 4.340 0.041 0.000 0.211 305 L C -0.928 175.957 176.870 0.026 0.000 1.071 305 L CA 1.606 56.424 54.840 -0.036 0.000 0.749 305 L CB -1.196 40.866 42.059 0.005 0.000 0.890 305 L HN 0.225 nan 8.230 nan 0.000 0.431 306 P HA -0.102 nan 4.420 nan 0.000 0.217 306 P C 2.006 179.384 177.300 0.129 0.000 1.151 306 P CA 1.304 64.564 63.100 0.266 0.000 0.828 306 P CB -0.067 31.934 31.700 0.503 0.000 0.788 307 V N 0.519 120.206 119.914 -0.378 0.000 2.252 307 V HA -0.302 3.843 4.120 0.041 0.000 0.249 307 V C 2.876 178.827 176.094 -0.239 0.000 1.056 307 V CA 2.292 64.152 62.300 -0.733 0.000 1.022 307 V CB -1.707 29.604 31.823 -0.853 0.000 0.641 307 V HN 0.173 nan 8.190 nan 0.000 0.445 308 C N -0.034 119.151 119.300 -0.191 0.000 2.429 308 C HA -0.149 4.336 4.460 0.041 0.000 0.277 308 C C 2.535 177.544 174.990 0.031 0.000 1.262 308 C CA 0.926 59.917 59.018 -0.045 0.000 1.733 308 C CB -1.181 26.495 27.740 -0.105 0.000 2.010 308 C HN 0.626 nan 8.230 nan 0.000 0.483 309 D N 0.152 120.597 120.400 0.075 0.000 2.133 309 D HA -0.167 4.498 4.640 0.041 0.000 0.195 309 D C 2.264 178.697 176.300 0.221 0.000 0.997 309 D CA 1.177 55.294 54.000 0.195 0.000 0.840 309 D CB -0.504 40.529 40.800 0.387 0.000 0.947 309 D HN 0.518 nan 8.370 nan 0.000 0.452 310 R N 0.372 120.992 120.500 0.200 0.000 2.115 310 R HA 0.019 4.383 4.340 0.041 0.000 0.226 310 R C 2.119 178.558 176.300 0.232 0.000 1.100 310 R CA 1.043 57.290 56.100 0.244 0.000 0.980 310 R CB -0.053 30.415 30.300 0.279 0.000 0.875 310 R HN 0.098 nan 8.270 nan 0.000 0.445 311 A N 1.179 124.059 122.820 0.100 0.000 1.865 311 A HA -0.230 4.115 4.320 0.041 0.000 0.217 311 A C 2.206 179.909 177.584 0.198 0.000 1.191 311 A CA 1.772 53.828 52.037 0.031 0.000 0.623 311 A CB -0.528 18.393 19.000 -0.131 0.000 0.826 311 A HN 0.340 nan 8.150 nan 0.000 0.444 312 M N -1.264 118.456 119.600 0.200 0.000 2.065 312 M HA -0.169 4.336 4.480 0.041 0.000 0.259 312 M C 2.028 178.597 176.300 0.449 0.000 1.069 312 M CA 1.298 56.696 55.300 0.163 0.000 1.110 312 M CB -0.502 31.893 32.600 -0.342 0.000 1.328 312 M HN 0.327 nan 8.290 nan 0.000 0.405 313 L N -0.552 120.915 121.223 0.406 0.000 2.129 313 L HA -0.222 4.143 4.340 0.041 0.000 0.212 313 L C 1.831 178.788 176.870 0.144 0.000 1.087 313 L CA 2.043 56.974 54.840 0.152 0.000 0.757 313 L CB -1.265 40.715 42.059 -0.132 0.000 0.896 313 L HN 0.347 nan 8.230 nan 0.000 0.434 314 H N -2.201 116.990 119.070 0.202 0.000 2.549 314 H HA 0.339 4.920 4.556 0.041 0.000 0.279 314 H C 1.832 177.236 175.328 0.128 0.000 1.018 314 H CA 0.518 56.651 56.048 0.142 0.000 1.175 314 H CB 0.137 29.887 29.762 -0.020 0.000 1.485 314 H HN 0.212 nan 8.280 nan 0.000 0.543 315 A N 0.972 123.900 122.820 0.181 0.000 2.259 315 A HA -0.153 4.191 4.320 0.041 0.000 0.212 315 A C 1.509 179.060 177.584 -0.056 0.000 1.178 315 A CA 1.407 53.384 52.037 -0.101 0.000 0.734 315 A CB -0.225 18.601 19.000 -0.290 0.000 0.774 315 A HN 0.536 nan 8.150 nan 0.000 0.481 316 D N -1.202 119.289 120.400 0.152 0.000 2.323 316 D HA 0.217 4.881 4.640 0.041 0.000 0.209 316 D C 1.309 177.762 176.300 0.256 0.000 0.973 316 D CA 0.980 55.125 54.000 0.242 0.000 0.874 316 D CB -0.827 40.231 40.800 0.429 0.000 0.930 316 D HN 0.624 nan 8.370 nan 0.000 0.521 317 G N 0.765 109.683 108.800 0.198 0.000 2.611 317 G HA2 -0.336 3.649 3.960 0.041 0.000 0.301 317 G HA3 -0.336 3.649 3.960 0.041 0.000 0.301 317 G C 0.704 175.549 174.900 -0.092 0.000 1.233 317 G CA 0.789 45.956 45.100 0.112 0.000 0.993 317 G HN 0.352 nan 8.290 nan 0.000 0.553 318 S N 0.719 116.039 115.700 -0.633 0.000 2.597 318 S HA 0.424 4.919 4.470 0.041 0.000 0.224 318 S C -0.349 173.915 174.600 -0.559 0.000 0.955 318 S CA 0.291 58.145 58.200 -0.577 0.000 0.933 318 S CB -0.025 62.805 63.200 -0.616 0.000 0.788 318 S HN 0.442 nan 8.310 nan 0.000 0.488 319 Y N 0.202 120.557 120.300 0.090 0.000 2.364 319 Y HA 0.500 5.075 4.550 0.041 0.000 0.340 319 Y C -0.314 175.324 175.900 -0.437 0.000 0.975 319 Y CA -1.691 56.342 58.100 -0.113 0.000 1.089 319 Y CB 0.646 39.106 38.460 0.000 0.000 1.192 319 Y HN 0.096 nan 8.280 nan 0.000 0.454 320 F N 4.003 123.554 119.950 -0.665 0.000 2.502 320 F HA 0.456 5.007 4.527 0.041 0.000 0.371 320 F C -0.740 174.991 175.800 -0.116 0.000 1.083 320 F CA -0.653 57.024 58.000 -0.539 0.000 1.174 320 F CB 0.199 38.953 39.000 -0.411 0.000 1.096 320 F HN 0.195 nan 8.300 nan 0.000 0.545 321 V N 9.647 129.144 119.914 -0.696 0.000 2.376 321 V HA 0.256 4.401 4.120 0.041 0.000 0.287 321 V C -1.879 173.788 176.094 -0.711 0.000 1.015 321 V CA -1.194 60.790 62.300 -0.525 0.000 0.834 321 V CB 1.621 33.350 31.823 -0.155 0.000 1.001 321 V HN 0.635 nan 8.190 nan 0.000 0.428 322 P HA 0.175 nan 4.420 nan 0.000 0.241 322 P C 0.115 177.322 177.300 -0.156 0.000 1.191 322 P CA 0.582 63.401 63.100 -0.467 0.000 0.771 322 P CB 0.493 32.046 31.700 -0.245 0.000 0.929 323 A N -0.095 122.650 122.820 -0.126 0.000 2.402 323 A HA 0.707 5.052 4.320 0.041 0.000 0.291 323 A C -1.557 176.018 177.584 -0.015 0.000 1.051 323 A CA -0.525 51.492 52.037 -0.033 0.000 0.716 323 A CB 0.711 19.699 19.000 -0.019 0.000 1.223 323 A HN 0.113 nan 8.150 nan 0.000 0.425 324 L N 2.012 123.263 121.223 0.047 0.000 2.472 324 L HA 0.851 5.215 4.340 0.041 0.000 0.260 324 L C -0.733 176.214 176.870 0.128 0.000 0.963 324 L CA -0.487 54.398 54.840 0.075 0.000 0.829 324 L CB 1.967 44.073 42.059 0.078 0.000 1.348 324 L HN 0.882 nan 8.230 nan 0.000 0.408 325 R N 3.937 124.513 120.500 0.127 0.000 2.604 325 R HA 0.744 5.109 4.340 0.041 0.000 0.281 325 R C -2.043 174.349 176.300 0.153 0.000 1.020 325 R CA -0.528 55.665 56.100 0.154 0.000 0.899 325 R CB 1.679 32.045 30.300 0.110 0.000 1.205 325 R HN 0.564 nan 8.270 nan 0.000 0.450 326 I N 2.280 122.920 120.570 0.117 0.000 2.474 326 I HA 0.374 4.568 4.170 0.041 0.000 0.294 326 I C -0.509 175.541 176.117 -0.112 0.000 1.005 326 I CA -0.425 60.852 61.300 -0.039 0.000 1.113 326 I CB 1.958 39.836 38.000 -0.204 0.000 1.289 326 I HN 0.571 nan 8.210 nan 0.000 0.436 327 E N 4.214 124.337 120.200 -0.129 0.000 2.185 327 E HA 0.513 4.888 4.350 0.041 0.000 0.261 327 E C -1.403 175.047 176.600 -0.250 0.000 0.879 327 E CA -0.397 55.895 56.400 -0.179 0.000 0.756 327 E CB 1.508 31.165 29.700 -0.072 0.000 1.152 327 E HN 0.553 nan 8.360 nan 0.000 0.416 328 S N 5.234 120.715 115.700 -0.366 0.000 2.669 328 S HA 0.285 4.780 4.470 0.041 0.000 0.315 328 S C -1.027 173.379 174.600 -0.325 0.000 1.106 328 S CA -0.715 57.348 58.200 -0.228 0.000 1.107 328 S CB 0.358 63.451 63.200 -0.180 0.000 0.990 328 S HN 0.539 nan 8.310 nan 0.000 0.471 329 H N 5.202 124.266 119.070 -0.010 0.000 2.552 329 H HA 0.333 4.914 4.556 0.041 0.000 0.311 329 H C 0.090 175.382 175.328 -0.061 0.000 1.071 329 H CA -0.653 55.377 56.048 -0.031 0.000 1.307 329 H CB 0.704 30.451 29.762 -0.026 0.000 1.416 329 H HN 0.546 nan 8.280 nan 0.000 0.464 330 R N 4.213 124.743 120.500 0.050 0.000 2.755 330 R HA 0.264 4.629 4.340 0.041 0.000 0.268 330 R C -0.196 176.180 176.300 0.128 0.000 1.295 330 R CA -0.521 55.611 56.100 0.053 0.000 1.379 330 R CB -0.144 30.189 30.300 0.054 0.000 1.170 330 R HN 0.429 nan 8.270 nan 0.000 0.584 331 L N 1.996 123.254 121.223 0.058 0.000 2.416 331 L HA 0.310 4.674 4.340 0.041 0.000 0.272 331 L C 0.989 177.869 176.870 0.017 0.000 1.161 331 L CA -0.207 54.633 54.840 0.001 0.000 0.845 331 L CB 0.396 42.434 42.059 -0.034 0.000 1.119 331 L HN 0.307 nan 8.230 nan 0.000 0.464 332 R N 2.035 122.428 120.500 -0.178 0.000 2.297 332 R HA 0.473 4.837 4.340 0.041 0.000 0.308 332 R C -0.746 175.508 176.300 -0.078 0.000 1.029 332 R CA -0.254 55.718 56.100 -0.214 0.000 0.929 332 R CB 1.062 30.926 30.300 -0.727 0.000 1.046 332 R HN 0.835 nan 8.270 nan 0.000 0.461 333 T N 0.443 115.005 114.554 0.014 0.000 2.896 333 T HA 0.272 4.647 4.350 0.041 0.000 0.297 333 T C -0.380 174.365 174.700 0.074 0.000 1.108 333 T CA -1.091 61.003 62.100 -0.010 0.000 1.004 333 T CB 1.399 70.207 68.868 -0.100 0.000 1.159 333 T HN 0.590 nan 8.240 nan 0.000 0.499 334 N N 1.790 120.522 118.700 0.054 0.000 3.178 334 N HA 0.392 5.156 4.740 0.041 0.000 0.300 334 N C -0.242 175.308 175.510 0.066 0.000 1.242 334 N CA -0.289 52.840 53.050 0.131 0.000 1.192 334 N CB 0.141 38.679 38.487 0.085 0.000 1.463 334 N HN 0.835 nan 8.380 nan 0.000 0.539 335 T N -2.995 111.592 114.554 0.056 0.000 2.792 335 T HA 0.285 4.660 4.350 0.041 0.000 0.303 335 T C -0.482 174.146 174.700 -0.120 0.000 1.310 335 T CA -1.116 60.943 62.100 -0.070 0.000 1.007 335 T CB 0.894 69.519 68.868 -0.405 0.000 1.335 335 T HN -0.091 nan 8.240 nan 0.000 0.504 336 Q N 1.574 121.266 119.800 -0.181 0.000 2.398 336 Q HA 0.222 4.586 4.340 0.041 0.000 0.329 336 Q C 0.395 176.318 176.000 -0.128 0.000 1.079 336 Q CA 0.472 56.072 55.803 -0.338 0.000 1.041 336 Q CB 0.141 28.876 28.738 -0.005 0.000 1.084 336 Q HN 0.708 nan 8.270 nan 0.000 0.386 337 S N 4.017 119.664 115.700 -0.088 0.000 2.457 337 S HA 0.046 4.541 4.470 0.041 0.000 0.294 337 S C -0.044 174.472 174.600 -0.141 0.000 1.201 337 S CA -0.742 57.363 58.200 -0.159 0.000 1.112 337 S CB -0.163 62.801 63.200 -0.394 0.000 1.018 337 S HN 0.485 nan 8.310 nan 0.000 0.511 338 N N 3.339 121.913 118.700 -0.211 0.000 2.374 338 N HA 0.167 4.931 4.740 0.041 0.000 0.241 338 N C 0.330 175.707 175.510 -0.222 0.000 1.262 338 N CA 0.348 53.180 53.050 -0.363 0.000 0.880 338 N CB 0.879 38.819 38.487 -0.913 0.000 1.105 338 N HN 0.673 nan 8.380 nan 0.000 0.438 339 T N -1.105 113.405 114.554 -0.073 0.000 2.618 339 T HA 0.669 5.044 4.350 0.041 0.000 0.286 339 T C -1.149 173.678 174.700 0.213 0.000 1.027 339 T CA -0.542 61.629 62.100 0.118 0.000 1.063 339 T CB 0.482 69.438 68.868 0.146 0.000 1.440 339 T HN 0.494 nan 8.240 nan 0.000 0.505 340 A N 1.116 124.116 122.820 0.299 0.000 2.511 340 A HA 0.561 4.906 4.320 0.041 0.000 0.242 340 A C -0.730 177.139 177.584 0.476 0.000 1.069 340 A CA 0.208 52.513 52.037 0.448 0.000 0.763 340 A CB -0.703 18.617 19.000 0.533 0.000 1.001 340 A HN 0.702 nan 8.150 nan 0.000 0.498 341 F N 1.838 121.932 119.950 0.239 0.000 2.605 341 F HA 0.406 4.960 4.527 0.044 0.000 0.320 341 F C 0.504 176.236 175.800 -0.112 0.000 1.159 341 F CA -1.076 56.976 58.000 0.086 0.000 0.999 341 F CB 1.237 40.115 39.000 -0.204 0.000 1.258 341 F HN 0.774 nan 8.300 nan 0.000 0.464 342 R N 3.828 124.549 120.500 0.368 0.000 4.098 342 R HA -0.050 4.315 4.340 0.041 0.000 0.151 342 R C 0.990 177.055 176.300 -0.392 0.000 0.451 342 R CA 2.055 58.156 56.100 0.001 0.000 0.858 342 R CB -0.584 29.724 30.300 0.014 0.000 1.051 342 R HN 1.141 nan 8.270 nan 0.000 0.263 343 G N 3.595 112.292 108.800 -0.173 0.000 2.376 343 G HA2 -0.321 3.663 3.960 0.041 0.000 0.208 343 G HA3 -0.321 3.663 3.960 0.041 0.000 0.208 343 G C 0.245 175.242 174.900 0.162 0.000 1.032 343 G CA -0.077 44.969 45.100 -0.091 0.000 0.641 343 G HN 0.797 nan 8.290 nan 0.000 0.503 344 F N 0.902 120.809 119.950 -0.071 0.000 2.891 344 F HA 0.064 4.616 4.527 0.041 0.000 0.272 344 F C 1.810 177.599 175.800 -0.020 0.000 1.004 344 F CA 2.493 60.494 58.000 0.003 0.000 0.938 344 F CB -1.016 38.004 39.000 0.033 0.000 0.939 344 F HN 2.083 nan 8.300 nan 0.000 0.833 345 G N 0.144 108.854 108.800 -0.150 0.000 2.328 345 G HA2 -0.338 3.647 3.960 0.041 0.000 0.256 345 G HA3 -0.338 3.647 3.960 0.041 0.000 0.256 345 G C 1.620 176.403 174.900 -0.195 0.000 1.014 345 G CA 0.902 45.892 45.100 -0.183 0.000 0.620 345 G HN 1.634 nan 8.290 nan 0.000 0.530 346 G N 1.640 110.356 108.800 -0.140 0.000 2.469 346 G HA2 0.018 4.003 3.960 0.041 0.000 0.219 346 G HA3 0.018 4.003 3.960 0.041 0.000 0.219 346 G C 0.140 174.946 174.900 -0.157 0.000 1.150 346 G CA 2.029 46.954 45.100 -0.291 0.000 0.763 346 G HN 0.569 nan 8.290 nan 0.000 0.561 347 P HA -0.053 nan 4.420 nan 0.000 0.215 347 P C 1.791 179.125 177.300 0.057 0.000 1.157 347 P CA 1.258 64.382 63.100 0.041 0.000 0.863 347 P CB -0.019 31.644 31.700 -0.061 0.000 0.787 348 Q N -0.475 119.242 119.800 -0.138 0.000 2.030 348 Q HA -0.113 4.252 4.340 0.041 0.000 0.204 348 Q C 2.460 178.188 176.000 -0.452 0.000 0.986 348 Q CA 2.184 57.752 55.803 -0.393 0.000 0.843 348 Q CB -1.710 26.337 28.738 -1.152 0.000 0.904 348 Q HN 0.245 nan 8.270 nan 0.000 0.420 349 G N 0.099 108.649 108.800 -0.417 0.000 2.442 349 G HA2 -0.218 3.767 3.960 0.041 0.000 0.219 349 G HA3 -0.218 3.767 3.960 0.041 0.000 0.219 349 G C 1.442 176.293 174.900 -0.080 0.000 1.141 349 G CA 0.897 45.865 45.100 -0.220 0.000 0.763 349 G HN 0.452 nan 8.290 nan 0.000 0.554 350 A N 0.055 122.877 122.820 0.003 0.000 1.970 350 A HA 0.237 4.582 4.320 0.041 0.000 0.216 350 A C 2.266 179.908 177.584 0.097 0.000 1.170 350 A CA 1.338 53.426 52.037 0.084 0.000 0.645 350 A CB -0.278 18.798 19.000 0.128 0.000 0.816 350 A HN 0.395 nan 8.150 nan 0.000 0.447 351 L N 0.313 121.586 121.223 0.084 0.000 2.093 351 L HA 0.027 4.392 4.340 0.041 0.000 0.208 351 L C 2.313 179.310 176.870 0.211 0.000 1.085 351 L CA 2.093 57.012 54.840 0.132 0.000 0.755 351 L CB -1.136 40.980 42.059 0.095 0.000 0.904 351 L HN 0.291 nan 8.230 nan 0.000 0.435 352 G N -0.371 108.515 108.800 0.144 0.000 2.476 352 G HA2 -0.389 3.596 3.960 0.041 0.000 0.218 352 G HA3 -0.389 3.596 3.960 0.041 0.000 0.218 352 G C 1.566 176.586 174.900 0.199 0.000 1.164 352 G CA 1.237 46.474 45.100 0.230 0.000 0.768 352 G HN 0.434 nan 8.290 nan 0.000 0.560 353 M N 0.527 120.170 119.600 0.072 0.000 2.175 353 M HA 0.057 4.562 4.480 0.041 0.000 0.264 353 M C 2.199 178.602 176.300 0.172 0.000 1.063 353 M CA 1.350 56.791 55.300 0.236 0.000 1.119 353 M CB -0.289 32.460 32.600 0.248 0.000 1.377 353 M HN 0.138 nan 8.290 nan 0.000 0.415 354 E N -0.250 120.042 120.200 0.153 0.000 2.072 354 E HA -0.124 4.251 4.350 0.041 0.000 0.190 354 E C 2.244 178.837 176.600 -0.011 0.000 0.982 354 E CA 0.655 57.127 56.400 0.119 0.000 0.803 354 E CB -0.408 29.391 29.700 0.166 0.000 0.755 354 E HN 0.440 nan 8.360 nan 0.000 0.453 355 R N 0.832 121.274 120.500 -0.097 0.000 2.088 355 R HA -0.109 4.256 4.340 0.041 0.000 0.232 355 R C 2.297 178.394 176.300 -0.337 0.000 1.136 355 R CA 1.450 57.374 56.100 -0.293 0.000 0.926 355 R CB -0.979 28.901 30.300 -0.700 0.000 0.837 355 R HN 0.173 nan 8.270 nan 0.000 0.429 356 A N 1.176 123.617 122.820 -0.632 0.000 1.909 356 A HA -0.246 4.098 4.320 0.041 0.000 0.221 356 A C 2.349 179.788 177.584 -0.242 0.000 1.223 356 A CA 2.100 53.678 52.037 -0.765 0.000 0.658 356 A CB -0.850 17.831 19.000 -0.532 0.000 0.831 356 A HN 0.454 nan 8.150 nan 0.000 0.462 357 I N -1.192 119.282 120.570 -0.159 0.000 2.439 357 I HA -0.188 4.006 4.170 0.041 0.000 0.251 357 I C 2.382 178.434 176.117 -0.108 0.000 1.139 357 I CA 1.893 63.095 61.300 -0.163 0.000 1.438 357 I CB -0.096 37.729 38.000 -0.292 0.000 1.085 357 I HN 0.538 nan 8.210 nan 0.000 0.427 358 E N 0.240 120.404 120.200 -0.059 0.000 2.047 358 E HA -0.337 4.038 4.350 0.041 0.000 0.191 358 E C 2.214 178.867 176.600 0.088 0.000 0.987 358 E CA 1.683 58.092 56.400 0.015 0.000 0.799 358 E CB -0.260 29.426 29.700 -0.024 0.000 0.752 358 E HN 0.496 nan 8.360 nan 0.000 0.449 359 H N -0.049 118.960 119.070 -0.103 0.000 2.319 359 H HA -0.126 4.454 4.556 0.041 0.000 0.299 359 H C 2.007 177.195 175.328 -0.234 0.000 1.092 359 H CA 1.744 57.601 56.048 -0.319 0.000 1.302 359 H CB -0.613 28.931 29.762 -0.364 0.000 1.373 359 H HN 0.294 nan 8.280 nan 0.000 0.497 360 L N 0.266 121.406 121.223 -0.138 0.000 2.012 360 L HA -0.107 4.258 4.340 0.041 0.000 0.210 360 L C 2.584 179.366 176.870 -0.146 0.000 1.073 360 L CA 2.093 56.822 54.840 -0.185 0.000 0.748 360 L CB -1.131 40.839 42.059 -0.148 0.000 0.891 360 L HN 0.324 nan 8.230 nan 0.000 0.431 361 A N -0.449 122.315 122.820 -0.095 0.000 1.865 361 A HA -0.231 4.114 4.320 0.041 0.000 0.217 361 A C 2.313 179.881 177.584 -0.027 0.000 1.191 361 A CA 1.818 53.812 52.037 -0.071 0.000 0.623 361 A CB -0.613 18.367 19.000 -0.034 0.000 0.826 361 A HN 0.443 nan 8.150 nan 0.000 0.444 362 R N -0.527 120.006 120.500 0.055 0.000 2.096 362 R HA -0.160 4.205 4.340 0.041 0.000 0.240 362 R C 2.364 178.682 176.300 0.030 0.000 1.139 362 R CA 1.465 57.635 56.100 0.116 0.000 0.952 362 R CB -1.744 28.745 30.300 0.315 0.000 0.854 362 R HN 0.561 nan 8.270 nan 0.000 0.436 363 G N 2.211 110.973 108.800 -0.063 0.000 2.545 363 G HA2 -0.287 3.698 3.960 0.041 0.000 0.217 363 G HA3 -0.287 3.698 3.960 0.041 0.000 0.217 363 G C 1.346 176.204 174.900 -0.070 0.000 1.218 363 G CA 1.276 46.308 45.100 -0.113 0.000 0.787 363 G HN 0.494 nan 8.290 nan 0.000 0.571 364 M N 0.225 119.751 119.600 -0.123 0.000 2.686 364 M HA 0.480 4.985 4.480 0.041 0.000 0.216 364 M C 1.364 177.589 176.300 -0.124 0.000 1.221 364 M CA 0.576 55.770 55.300 -0.175 0.000 0.992 364 M CB -0.205 32.051 32.600 -0.574 0.000 1.739 364 M HN 0.354 nan 8.290 nan 0.000 0.461 365 G N 1.748 110.513 108.800 -0.060 0.000 2.269 365 G HA2 -0.322 3.663 3.960 0.041 0.000 0.277 365 G HA3 -0.322 3.663 3.960 0.041 0.000 0.277 365 G C 0.045 174.918 174.900 -0.044 0.000 1.008 365 G CA 0.835 45.915 45.100 -0.033 0.000 0.774 365 G HN 0.628 nan 8.290 nan 0.000 0.511 366 R N -0.026 120.434 120.500 -0.067 0.000 2.643 366 R HA 0.540 4.905 4.340 0.041 0.000 0.272 366 R C -0.162 176.118 176.300 -0.033 0.000 0.995 366 R CA -0.593 55.467 56.100 -0.066 0.000 1.032 366 R CB 0.708 30.940 30.300 -0.114 0.000 1.126 366 R HN 0.192 nan 8.270 nan 0.000 0.505 367 D N 3.431 123.817 120.400 -0.023 0.000 2.325 367 D HA 0.176 4.841 4.640 0.041 0.000 0.251 367 D C -1.767 174.542 176.300 0.014 0.000 1.196 367 D CA -1.869 52.133 54.000 0.005 0.000 0.866 367 D CB 1.422 42.225 40.800 0.004 0.000 1.101 367 D HN 0.251 nan 8.370 nan 0.000 0.476 368 P HA -0.228 nan 4.420 nan 0.000 0.216 368 P C 1.110 178.434 177.300 0.040 0.000 1.157 368 P CA 2.071 65.193 63.100 0.036 0.000 0.880 368 P CB 0.045 31.797 31.700 0.087 0.000 0.791 369 A N -0.278 122.608 122.820 0.111 0.000 1.940 369 A HA -0.259 4.085 4.320 0.041 0.000 0.219 369 A C 2.375 179.993 177.584 0.057 0.000 1.176 369 A CA 1.795 53.920 52.037 0.146 0.000 0.631 369 A CB -1.124 18.071 19.000 0.326 0.000 0.814 369 A HN 0.158 nan 8.150 nan 0.000 0.446 370 E N -0.294 119.923 120.200 0.028 0.000 2.016 370 E HA -0.142 4.233 4.350 0.041 0.000 0.190 370 E C 1.999 178.542 176.600 -0.096 0.000 0.985 370 E CA 1.204 57.590 56.400 -0.023 0.000 0.802 370 E CB -0.403 29.290 29.700 -0.011 0.000 0.762 370 E HN 0.362 nan 8.360 nan 0.000 0.448 371 L N 1.834 122.997 121.223 -0.100 0.000 2.021 371 L HA -0.239 4.125 4.340 0.041 0.000 0.215 371 L C 2.681 179.415 176.870 -0.228 0.000 1.074 371 L CA 1.888 56.637 54.840 -0.152 0.000 0.760 371 L CB -0.423 41.547 42.059 -0.148 0.000 0.889 371 L HN 0.084 nan 8.230 nan 0.000 0.433 372 R N -1.292 119.073 120.500 -0.225 0.000 2.080 372 R HA -0.183 4.181 4.340 0.041 0.000 0.236 372 R C 2.225 178.103 176.300 -0.702 0.000 1.137 372 R CA 1.445 57.376 56.100 -0.282 0.000 0.943 372 R CB -0.730 29.570 30.300 -0.001 0.000 0.846 372 R HN 0.529 nan 8.270 nan 0.000 0.431 373 A N 1.132 123.583 122.820 -0.616 0.000 1.917 373 A HA -0.205 4.140 4.320 0.041 0.000 0.219 373 A C 2.090 179.339 177.584 -0.559 0.000 1.182 373 A CA 1.379 52.982 52.037 -0.723 0.000 0.633 373 A CB -0.556 18.322 19.000 -0.204 0.000 0.819 373 A HN 0.281 nan 8.150 nan 0.000 0.448 374 L N -0.577 120.452 121.223 -0.323 0.000 2.362 374 L HA -0.049 4.315 4.340 0.041 0.000 0.219 374 L C 1.306 178.097 176.870 -0.131 0.000 1.134 374 L CA 1.482 56.218 54.840 -0.174 0.000 0.807 374 L CB -0.133 41.851 42.059 -0.124 0.000 0.927 374 L HN 0.384 nan 8.230 nan 0.000 0.447 375 N N -1.919 116.672 118.700 -0.182 0.000 2.159 375 N HA 0.130 4.894 4.740 0.041 0.000 0.217 375 N C -0.146 175.500 175.510 0.228 0.000 1.223 375 N CA -0.121 52.938 53.050 0.015 0.000 0.896 375 N CB 0.404 38.865 38.487 -0.042 0.000 1.064 375 N HN 0.178 nan 8.380 nan 0.000 0.518 376 F N 1.285 121.360 119.950 0.208 0.000 2.595 376 F HA -0.010 4.542 4.527 0.042 0.000 0.359 376 F C 0.885 176.710 175.800 0.042 0.000 1.147 376 F CA -0.731 57.327 58.000 0.096 0.000 1.341 376 F CB 0.177 39.221 39.000 0.073 0.000 1.104 376 F HN -0.001 nan 8.300 nan 0.000 0.603 377 Y N 1.436 121.905 120.300 0.281 0.000 2.986 377 Y HA -0.168 4.407 4.550 0.041 0.000 0.342 377 Y C 0.831 176.770 175.900 0.064 0.000 1.275 377 Y CA -0.088 58.087 58.100 0.123 0.000 1.527 377 Y CB -0.093 38.389 38.460 0.037 0.000 1.296 377 Y HN 0.446 nan 8.280 nan 0.000 0.628 378 D N 4.238 124.732 120.400 0.156 0.000 2.423 378 D HA 0.065 4.730 4.640 0.041 0.000 0.238 378 D C -2.086 174.241 176.300 0.044 0.000 1.142 378 D CA -1.053 52.990 54.000 0.072 0.000 0.884 378 D CB 0.194 41.000 40.800 0.010 0.000 1.199 378 D HN 0.242 nan 8.370 nan 0.000 0.438 379 P HA 0.196 nan 4.420 nan 0.000 0.273 379 P C -2.573 174.723 177.300 -0.007 0.000 1.250 379 P CA -1.137 61.956 63.100 -0.011 0.000 0.793 379 P CB -0.606 31.097 31.700 0.006 0.000 1.011 380 P HA 0.191 nan 4.420 nan 0.000 0.265 380 P C -0.334 176.970 177.300 0.007 0.000 1.193 380 P CA 1.150 64.251 63.100 0.001 0.000 0.765 380 P CB 0.059 31.765 31.700 0.010 0.000 0.823 399 K N 0.066 120.460 120.400 -0.010 0.000 5.760 399 K HA -0.153 4.191 4.320 0.041 0.000 0.466 399 K C -1.076 175.502 176.600 -0.037 0.000 1.122 399 K CA 1.046 57.324 56.287 -0.015 0.000 1.299 399 K CB -2.581 29.914 32.500 -0.007 0.000 1.874 399 K HN 0.721 nan 8.250 nan 0.000 0.355 400 T N 1.801 116.333 114.554 -0.036 0.000 2.869 400 T HA 0.235 4.610 4.350 0.041 0.000 0.295 400 T C 0.610 175.260 174.700 -0.084 0.000 0.987 400 T CA -0.809 61.256 62.100 -0.057 0.000 1.109 400 T CB 1.123 69.970 68.868 -0.036 0.000 0.932 400 T HN 0.383 nan 8.240 nan 0.000 0.518 401 Q N 1.896 121.602 119.800 -0.158 0.000 2.333 401 Q HA 0.260 4.625 4.340 0.041 0.000 0.299 401 Q C 0.887 176.857 176.000 -0.050 0.000 1.067 401 Q CA 0.102 55.761 55.803 -0.239 0.000 0.943 401 Q CB 0.297 28.735 28.738 -0.500 0.000 1.233 401 Q HN 0.849 nan 8.270 nan 0.000 0.401 402 T N -1.702 112.892 114.554 0.068 0.000 2.948 402 T HA 0.526 4.900 4.350 0.041 0.000 0.285 402 T C 0.378 175.181 174.700 0.171 0.000 1.019 402 T CA -0.760 61.362 62.100 0.037 0.000 1.013 402 T CB 1.399 70.274 68.868 0.012 0.000 1.117 402 T HN 0.656 nan 8.240 nan 0.000 0.533 403 T N -1.121 113.359 114.554 -0.124 0.000 2.754 403 T HA 0.160 4.534 4.350 0.041 0.000 0.286 403 T C 1.420 176.034 174.700 -0.144 0.000 0.997 403 T CA -0.255 61.753 62.100 -0.155 0.000 0.982 403 T CB 0.054 68.378 68.868 -0.907 0.000 1.027 403 T HN 0.907 nan 8.240 nan 0.000 0.529 404 H N -0.145 118.941 119.070 0.027 0.000 2.563 404 H HA -0.017 4.564 4.556 0.041 0.000 0.272 404 H C 0.802 176.217 175.328 0.145 0.000 1.005 404 H CA 0.763 56.891 56.048 0.134 0.000 1.171 404 H CB -0.748 29.160 29.762 0.244 0.000 1.351 404 H HN 0.925 nan 8.280 nan 0.000 0.602 405 Y N -1.785 118.305 120.300 -0.349 0.000 2.584 405 Y HA 0.523 5.098 4.550 0.042 0.000 0.254 405 Y C 1.484 177.292 175.900 -0.154 0.000 1.177 405 Y CA -0.635 57.281 58.100 -0.307 0.000 1.216 405 Y CB 0.249 38.421 38.460 -0.481 0.000 1.172 405 Y HN 0.166 nan 8.280 nan 0.000 0.529 406 G N 1.144 109.804 108.800 -0.234 0.000 2.147 406 G HA2 -0.346 3.639 3.960 0.041 0.000 0.244 406 G HA3 -0.346 3.639 3.960 0.041 0.000 0.244 406 G C -0.151 174.660 174.900 -0.150 0.000 1.005 406 G CA 0.286 45.312 45.100 -0.122 0.000 0.713 406 G HN 0.633 nan 8.290 nan 0.000 0.515 407 Q N 0.453 120.053 119.800 -0.333 0.000 2.303 407 Q HA 0.558 4.922 4.340 0.041 0.000 0.257 407 Q C 0.358 176.276 176.000 -0.137 0.000 0.941 407 Q CA -0.592 55.104 55.803 -0.179 0.000 0.931 407 Q CB 0.659 29.340 28.738 -0.095 0.000 1.215 407 Q HN 0.514 nan 8.270 nan 0.000 0.437 408 E N 1.779 121.950 120.200 -0.048 0.000 2.418 408 E HA 0.102 4.477 4.350 0.041 0.000 0.261 408 E C -0.937 175.652 176.600 -0.017 0.000 1.070 408 E CA -0.063 56.313 56.400 -0.040 0.000 0.931 408 E CB 1.037 30.731 29.700 -0.010 0.000 0.954 408 E HN 0.415 nan 8.360 nan 0.000 0.439 409 V N 2.707 122.566 119.914 -0.092 0.000 2.289 409 V HA 0.247 4.392 4.120 0.041 0.000 0.272 409 V C 0.387 176.468 176.094 -0.022 0.000 1.026 409 V CA -0.205 62.029 62.300 -0.111 0.000 0.807 409 V CB 0.887 32.383 31.823 -0.545 0.000 1.044 409 V HN 0.794 nan 8.190 nan 0.000 0.443 410 A N 2.826 125.682 122.820 0.060 0.000 2.348 410 A HA 0.200 4.544 4.320 0.041 0.000 0.224 410 A C 1.155 178.771 177.584 0.054 0.000 1.227 410 A CA 0.611 52.674 52.037 0.044 0.000 0.885 410 A CB 0.016 19.047 19.000 0.051 0.000 0.933 410 A HN 0.765 nan 8.150 nan 0.000 0.506 411 D N -2.078 118.377 120.400 0.092 0.000 2.540 411 D HA 0.086 4.751 4.640 0.041 0.000 0.229 411 D C 0.096 176.322 176.300 -0.122 0.000 1.250 411 D CA -0.356 53.696 54.000 0.087 0.000 0.817 411 D CB -1.374 39.574 40.800 0.248 0.000 1.060 411 D HN 0.087 nan 8.370 nan 0.000 0.508 412 C N 1.842 120.999 119.300 -0.237 0.000 2.555 412 C HA 0.404 4.889 4.460 0.041 0.000 0.385 412 C C 1.548 176.150 174.990 -0.647 0.000 1.296 412 C CA -0.222 58.362 59.018 -0.724 0.000 1.757 412 C CB -0.644 26.919 27.740 -0.294 0.000 2.445 412 C HN 0.334 nan 8.230 nan 0.000 0.571 413 V N 5.316 124.644 119.914 -0.977 0.000 3.276 413 V HA 0.212 4.357 4.120 0.041 0.000 0.319 413 V C 1.446 177.126 176.094 -0.690 0.000 1.427 413 V CA 0.441 62.366 62.300 -0.624 0.000 1.102 413 V CB -0.876 30.623 31.823 -0.539 0.000 1.020 413 V HN 0.868 nan 8.190 nan 0.000 0.456 414 L N 1.588 122.373 121.223 -0.731 0.000 2.043 414 L HA -0.037 4.328 4.340 0.041 0.000 0.212 414 L C 2.784 179.384 176.870 -0.450 0.000 1.075 414 L CA 2.214 56.616 54.840 -0.731 0.000 0.752 414 L CB -0.964 40.403 42.059 -1.153 0.000 0.891 414 L HN 0.533 nan 8.230 nan 0.000 0.432 415 G N -0.441 108.260 108.800 -0.166 0.000 2.679 415 G HA2 -0.385 3.600 3.960 0.041 0.000 0.217 415 G HA3 -0.385 3.600 3.960 0.041 0.000 0.217 415 G C 1.380 176.301 174.900 0.034 0.000 1.267 415 G CA 1.138 46.309 45.100 0.119 0.000 0.799 415 G HN 0.444 nan 8.290 nan 0.000 0.606 416 E N -0.143 120.046 120.200 -0.018 0.000 2.038 416 E HA -0.145 4.230 4.350 0.041 0.000 0.195 416 E C 2.524 179.135 176.600 0.018 0.000 1.000 416 E CA 1.164 57.604 56.400 0.067 0.000 0.803 416 E CB -0.257 29.568 29.700 0.209 0.000 0.750 416 E HN 0.405 nan 8.360 nan 0.000 0.448 417 L N 0.320 121.342 121.223 -0.336 0.000 1.989 417 L HA -0.202 4.163 4.340 0.041 0.000 0.211 417 L C 2.390 179.185 176.870 -0.125 0.000 1.071 417 L CA 1.324 55.897 54.840 -0.445 0.000 0.749 417 L CB -0.230 41.219 42.059 -1.017 0.000 0.890 417 L HN 0.063 nan 8.230 nan 0.000 0.431 418 V N -0.361 119.486 119.914 -0.112 0.000 2.407 418 V HA -0.287 3.857 4.120 0.041 0.000 0.248 418 V C 2.506 178.634 176.094 0.057 0.000 1.055 418 V CA 2.250 64.552 62.300 0.004 0.000 1.049 418 V CB -0.837 31.069 31.823 0.138 0.000 0.662 418 V HN 0.571 nan 8.190 nan 0.000 0.455 419 T N -0.464 114.141 114.554 0.084 0.000 2.777 419 T HA -0.207 4.168 4.350 0.041 0.000 0.266 419 T C 2.041 176.800 174.700 0.100 0.000 1.040 419 T CA 1.685 63.846 62.100 0.101 0.000 1.141 419 T CB -0.229 68.703 68.868 0.106 0.000 0.868 419 T HN 0.430 nan 8.240 nan 0.000 0.444 420 R N 0.430 121.001 120.500 0.118 0.000 2.096 420 R HA -0.034 4.331 4.340 0.041 0.000 0.235 420 R C 2.354 178.716 176.300 0.104 0.000 1.127 420 R CA 1.066 57.249 56.100 0.139 0.000 0.968 420 R CB -0.406 30.037 30.300 0.239 0.000 0.861 420 R HN 0.297 nan 8.270 nan 0.000 0.440 421 L N 1.061 122.329 121.223 0.074 0.000 2.027 421 L HA -0.116 4.249 4.340 0.041 0.000 0.206 421 L C 2.055 178.934 176.870 0.016 0.000 1.074 421 L CA 1.743 56.604 54.840 0.036 0.000 0.745 421 L CB -0.437 41.619 42.059 -0.005 0.000 0.898 421 L HN 0.221 nan 8.230 nan 0.000 0.433 422 Q N -0.580 119.225 119.800 0.009 0.000 2.124 422 Q HA -0.197 4.168 4.340 0.041 0.000 0.202 422 Q C 2.075 178.161 176.000 0.144 0.000 0.977 422 Q CA 1.606 57.441 55.803 0.053 0.000 0.850 422 Q CB -0.115 28.697 28.738 0.123 0.000 0.901 422 Q HN 0.431 nan 8.270 nan 0.000 0.429 423 K N 0.359 120.827 120.400 0.113 0.000 2.001 423 K HA -0.080 4.265 4.320 0.041 0.000 0.208 423 K C 2.341 178.993 176.600 0.086 0.000 1.048 423 K CA 1.650 57.998 56.287 0.102 0.000 0.932 423 K CB -0.518 32.034 32.500 0.086 0.000 0.715 423 K HN 0.239 nan 8.250 nan 0.000 0.437 424 S N 1.190 116.935 115.700 0.075 0.000 2.399 424 S HA -0.044 4.451 4.470 0.041 0.000 0.231 424 S C 2.136 176.772 174.600 0.061 0.000 1.022 424 S CA 1.017 59.254 58.200 0.062 0.000 0.983 424 S CB -0.232 63.003 63.200 0.058 0.000 0.803 424 S HN 0.277 nan 8.310 nan 0.000 0.480 425 A N 1.581 124.442 122.820 0.069 0.000 2.238 425 A HA 0.249 4.593 4.320 0.041 0.000 0.208 425 A C 0.943 178.594 177.584 0.112 0.000 1.177 425 A CA 0.345 52.426 52.037 0.074 0.000 0.804 425 A CB -1.078 17.951 19.000 0.049 0.000 0.823 425 A HN 0.751 nan 8.150 nan 0.000 0.482 426 N N -2.199 116.572 118.700 0.118 0.000 2.738 426 N HA -0.232 4.532 4.740 0.041 0.000 0.249 426 N C 0.382 175.989 175.510 0.162 0.000 1.047 426 N CA 0.491 53.609 53.050 0.113 0.000 0.707 426 N CB -1.008 37.520 38.487 0.068 0.000 0.937 426 N HN 0.422 nan 8.380 nan 0.000 0.545 427 F N 0.978 120.940 119.950 0.021 0.000 2.051 427 F HA -0.113 4.438 4.527 0.042 0.000 0.296 427 F C 2.427 178.236 175.800 0.016 0.000 1.122 427 F CA 2.212 60.224 58.000 0.020 0.000 1.201 427 F CB -0.934 38.084 39.000 0.031 0.000 0.978 427 F HN 0.192 nan 8.300 nan 0.000 0.472 428 T N -0.218 114.286 114.554 -0.083 0.000 2.544 428 T HA -0.267 4.108 4.350 0.041 0.000 0.264 428 T C 1.919 176.533 174.700 -0.143 0.000 1.096 428 T CA 2.717 64.706 62.100 -0.185 0.000 1.181 428 T CB -1.094 67.746 68.868 -0.048 0.000 0.864 428 T HN 0.300 nan 8.240 nan 0.000 0.415 429 T N 2.002 116.524 114.554 -0.055 0.000 2.653 429 T HA -0.164 4.211 4.350 0.041 0.000 0.268 429 T C 2.156 176.826 174.700 -0.050 0.000 1.035 429 T CA 1.336 63.413 62.100 -0.038 0.000 1.154 429 T CB -0.305 68.560 68.868 -0.005 0.000 0.862 429 T HN 0.343 nan 8.240 nan 0.000 0.441 430 R N 0.368 120.842 120.500 -0.043 0.000 2.103 430 R HA -0.073 4.292 4.340 0.041 0.000 0.242 430 R C 2.693 178.939 176.300 -0.090 0.000 1.142 430 R CA 1.412 57.486 56.100 -0.043 0.000 0.960 430 R CB -0.301 30.004 30.300 0.009 0.000 0.858 430 R HN 0.286 nan 8.270 nan 0.000 0.439 431 R N 0.443 120.832 120.500 -0.185 0.000 2.091 431 R HA -0.132 4.233 4.340 0.041 0.000 0.238 431 R C 2.261 178.490 176.300 -0.118 0.000 1.136 431 R CA 1.694 57.663 56.100 -0.217 0.000 0.959 431 R CB -0.316 29.738 30.300 -0.410 0.000 0.856 431 R HN 0.257 nan 8.270 nan 0.000 0.437 432 A N 0.625 123.386 122.820 -0.099 0.000 1.877 432 A HA -0.200 4.145 4.320 0.041 0.000 0.216 432 A C 1.922 179.497 177.584 -0.015 0.000 1.186 432 A CA 1.718 53.724 52.037 -0.051 0.000 0.620 432 A CB -0.549 18.425 19.000 -0.044 0.000 0.822 432 A HN 0.454 nan 8.150 nan 0.000 0.443 433 E N -0.445 119.749 120.200 -0.010 0.000 2.160 433 E HA -0.177 4.198 4.350 0.041 0.000 0.195 433 E C 1.812 178.449 176.600 0.061 0.000 0.991 433 E CA 1.135 57.550 56.400 0.025 0.000 0.810 433 E CB -0.285 29.420 29.700 0.007 0.000 0.742 433 E HN 0.718 nan 8.360 nan 0.000 0.466 434 I N 0.684 121.266 120.570 0.020 0.000 2.163 434 I HA -0.254 3.941 4.170 0.041 0.000 0.240 434 I C 2.542 178.729 176.117 0.117 0.000 1.081 434 I CA 0.807 62.135 61.300 0.047 0.000 1.353 434 I CB -0.344 37.643 38.000 -0.021 0.000 1.054 434 I HN 0.100 nan 8.210 nan 0.000 0.407 435 A N 1.036 123.888 122.820 0.053 0.000 1.859 435 A HA -0.296 4.049 4.320 0.041 0.000 0.217 435 A C 2.560 180.185 177.584 0.069 0.000 1.198 435 A CA 2.434 54.498 52.037 0.045 0.000 0.629 435 A CB -1.209 17.794 19.000 0.006 0.000 0.830 435 A HN 0.451 nan 8.150 nan 0.000 0.446 436 A N -1.575 121.285 122.820 0.067 0.000 1.870 436 A HA -0.298 4.047 4.320 0.041 0.000 0.219 436 A C 2.045 179.695 177.584 0.109 0.000 1.224 436 A CA 2.094 54.173 52.037 0.069 0.000 0.650 436 A CB -1.378 17.663 19.000 0.069 0.000 0.836 436 A HN 0.926 nan 8.150 nan 0.000 0.454 437 W N 1.193 122.477 121.300 -0.027 0.000 2.318 437 W HA -0.232 4.453 4.660 0.042 0.000 0.313 437 W C 1.976 178.479 176.519 -0.027 0.000 1.221 437 W CA 2.182 59.513 57.345 -0.024 0.000 1.266 437 W CB -0.244 29.203 29.460 -0.023 0.000 1.150 437 W HN 0.416 nan 8.180 nan 0.000 0.496 438 N N 0.049 118.904 118.700 0.259 0.000 2.223 438 N HA -0.196 4.569 4.740 0.041 0.000 0.185 438 N C 1.920 177.391 175.510 -0.064 0.000 1.016 438 N CA 1.955 55.062 53.050 0.095 0.000 0.863 438 N CB -1.124 37.443 38.487 0.134 0.000 0.983 438 N HN 0.340 nan 8.380 nan 0.000 0.429 439 S N -0.614 115.058 115.700 -0.047 0.000 2.419 439 S HA -0.059 4.436 4.470 0.041 0.000 0.233 439 S C 1.752 176.278 174.600 -0.124 0.000 1.016 439 S CA 1.252 59.411 58.200 -0.068 0.000 0.974 439 S CB -0.533 62.643 63.200 -0.041 0.000 0.786 439 S HN 0.205 nan 8.310 nan 0.000 0.492 440 T N 1.542 115.975 114.554 -0.201 0.000 3.067 440 T HA 0.225 4.600 4.350 0.041 0.000 0.257 440 T C 0.294 174.795 174.700 -0.332 0.000 1.105 440 T CA 0.319 62.263 62.100 -0.260 0.000 1.104 440 T CB -0.297 68.374 68.868 -0.328 0.000 0.925 440 T HN 0.506 nan 8.240 nan 0.000 0.498 441 N N 0.608 119.067 118.700 -0.402 0.000 2.432 441 N HA 0.534 5.299 4.740 0.041 0.000 0.292 441 N C 0.850 176.235 175.510 -0.209 0.000 1.193 441 N CA -0.860 51.958 53.050 -0.388 0.000 0.878 441 N CB 1.413 39.520 38.487 -0.632 0.000 1.252 441 N HN 0.153 nan 8.380 nan 0.000 0.520 442 R N -1.422 118.988 120.500 -0.151 0.000 2.582 442 R HA 0.228 4.593 4.340 0.041 0.000 0.285 442 R C -0.230 176.034 176.300 -0.061 0.000 0.940 442 R CA 0.029 56.076 56.100 -0.090 0.000 1.072 442 R CB 0.039 30.293 30.300 -0.077 0.000 1.527 442 R HN 0.419 nan 8.270 nan 0.000 0.538 443 T N 0.921 115.437 114.554 -0.063 0.000 3.023 443 T HA 0.368 4.743 4.350 0.041 0.000 0.249 443 T C 0.445 175.146 174.700 0.002 0.000 1.050 443 T CA 0.279 62.361 62.100 -0.030 0.000 1.088 443 T CB 0.252 69.104 68.868 -0.027 0.000 0.946 443 T HN 0.002 nan 8.240 nan 0.000 0.480 444 L N 0.870 122.101 121.223 0.014 0.000 2.342 444 L HA 0.844 5.209 4.340 0.041 0.000 0.271 444 L C -0.714 176.280 176.870 0.206 0.000 1.008 444 L CA -1.243 53.677 54.840 0.133 0.000 0.818 444 L CB 1.879 44.105 42.059 0.279 0.000 1.296 444 L HN 0.020 nan 8.230 nan 0.000 0.427 445 A N 2.086 125.059 122.820 0.254 0.000 2.486 445 A HA 0.805 5.150 4.320 0.041 0.000 0.300 445 A C -1.039 176.654 177.584 0.183 0.000 1.048 445 A CA -0.802 51.395 52.037 0.267 0.000 0.696 445 A CB 1.740 20.796 19.000 0.093 0.000 1.278 445 A HN 0.618 nan 8.150 nan 0.000 0.405 446 R N 0.438 121.028 120.500 0.151 0.000 2.573 446 R HA 0.741 5.106 4.340 0.041 0.000 0.272 446 R C 0.008 176.287 176.300 -0.036 0.000 1.009 446 R CA -0.284 55.781 56.100 -0.058 0.000 1.059 446 R CB 1.761 31.939 30.300 -0.203 0.000 1.112 446 R HN 1.007 nan 8.270 nan 0.000 0.517 447 G N 0.929 109.691 108.800 -0.064 0.000 2.740 447 G HA2 0.538 4.522 3.960 0.041 0.000 0.296 447 G HA3 0.538 4.522 3.960 0.041 0.000 0.296 447 G C -1.387 173.500 174.900 -0.021 0.000 1.439 447 G CA -0.473 44.600 45.100 -0.046 0.000 1.066 447 G HN 0.465 nan 8.290 nan 0.000 0.527 448 I N 1.030 121.613 120.570 0.022 0.000 2.740 448 I HA 0.862 5.057 4.170 0.041 0.000 0.303 448 I C -0.259 175.953 176.117 0.160 0.000 1.044 448 I CA -0.974 60.385 61.300 0.098 0.000 1.064 448 I CB 2.176 40.263 38.000 0.144 0.000 1.249 448 I HN 0.777 nan 8.210 nan 0.000 0.433 449 A N 6.588 129.521 122.820 0.190 0.000 2.589 449 A HA 0.594 4.938 4.320 0.041 0.000 0.296 449 A C -2.009 175.637 177.584 0.104 0.000 1.062 449 A CA -0.508 51.642 52.037 0.189 0.000 0.686 449 A CB 1.526 20.604 19.000 0.131 0.000 1.282 449 A HN 0.741 nan 8.150 nan 0.000 0.404 450 L N 2.072 123.330 121.223 0.059 0.000 2.317 450 L HA 0.882 5.246 4.340 0.041 0.000 0.281 450 L C -0.024 176.886 176.870 0.066 0.000 1.024 450 L CA 0.054 54.856 54.840 -0.063 0.000 0.810 450 L CB 1.865 43.760 42.059 -0.273 0.000 1.240 450 L HN 1.045 nan 8.230 nan 0.000 0.427 451 S N 4.667 120.416 115.700 0.082 0.000 2.548 451 S HA 0.861 5.356 4.470 0.041 0.000 0.286 451 S C -3.059 171.622 174.600 0.135 0.000 1.098 451 S CA -1.219 57.068 58.200 0.144 0.000 0.930 451 S CB 2.193 65.485 63.200 0.154 0.000 1.070 451 S HN 0.546 nan 8.310 nan 0.000 0.480 452 P HA 0.667 nan 4.420 nan 0.000 0.292 452 P C -1.381 175.963 177.300 0.073 0.000 1.308 452 P CA -0.918 62.233 63.100 0.084 0.000 0.933 452 P CB 1.674 33.410 31.700 0.060 0.000 1.217 453 V N 1.158 121.100 119.914 0.047 0.000 2.604 453 V HA 0.550 4.694 4.120 0.041 0.000 0.305 453 V C -0.003 176.086 176.094 -0.009 0.000 1.043 453 V CA -0.511 61.830 62.300 0.067 0.000 0.888 453 V CB 1.697 33.602 31.823 0.136 0.000 0.995 453 V HN 0.557 nan 8.190 nan 0.000 0.429 454 K N 4.192 124.573 120.400 -0.032 0.000 2.579 454 K HA 0.569 4.914 4.320 0.041 0.000 0.250 454 K C -2.171 174.426 176.600 -0.006 0.000 0.952 454 K CA -0.436 55.707 56.287 -0.239 0.000 0.857 454 K CB 1.469 33.810 32.500 -0.265 0.000 1.123 454 K HN 0.586 nan 8.250 nan 0.000 0.433 455 F N 2.426 122.276 119.950 -0.168 0.000 2.518 455 F HA 0.521 5.073 4.527 0.041 0.000 0.323 455 F C 0.098 175.837 175.800 -0.102 0.000 1.129 455 F CA -0.444 57.549 58.000 -0.010 0.000 0.920 455 F CB 1.842 40.772 39.000 -0.118 0.000 1.160 455 F HN 0.629 nan 8.300 nan 0.000 0.440 456 G N 6.347 114.819 108.800 -0.547 0.000 2.390 456 G HA2 0.476 4.461 3.960 0.041 0.000 0.270 456 G HA3 0.476 4.461 3.960 0.041 0.000 0.270 456 G C -0.962 173.179 174.900 -1.264 0.000 1.211 456 G CA -0.476 43.705 45.100 -1.531 0.000 0.842 456 G HN 0.474 nan 8.290 nan 0.000 0.519 457 I N 1.374 121.403 120.570 -0.902 0.000 2.339 457 I HA 0.555 4.750 4.170 0.041 0.000 0.290 457 I C 0.167 176.168 176.117 -0.194 0.000 0.994 457 I CA -0.300 60.688 61.300 -0.521 0.000 1.191 457 I CB 0.313 37.773 38.000 -0.899 0.000 1.343 457 I HN 0.485 nan 8.210 nan 0.000 0.458 458 S N 4.721 120.378 115.700 -0.071 0.000 2.899 458 S HA 0.110 4.605 4.470 0.041 0.000 0.249 458 S C -0.796 173.801 174.600 -0.004 0.000 0.652 458 S CA -0.943 57.267 58.200 0.015 0.000 1.024 458 S CB -0.060 63.185 63.200 0.076 0.000 1.275 458 S HN 0.293 nan 8.310 nan 0.000 0.563 459 F N 2.515 122.443 119.950 -0.038 0.000 2.571 459 F HA 0.153 4.704 4.527 0.040 0.000 0.384 459 F C 2.282 178.063 175.800 -0.033 0.000 1.058 459 F CA 0.607 58.567 58.000 -0.065 0.000 1.200 459 F CB 0.436 39.367 39.000 -0.116 0.000 1.077 459 F HN 0.770 nan 8.300 nan 0.000 0.558 460 T N 0.393 115.036 114.554 0.148 0.000 3.098 460 T HA -0.098 4.276 4.350 0.041 0.000 0.266 460 T C 0.600 175.541 174.700 0.402 0.000 1.145 460 T CA 0.211 62.373 62.100 0.102 0.000 1.092 460 T CB -0.206 68.690 68.868 0.047 0.000 0.908 460 T HN 0.279 nan 8.240 nan 0.000 0.526 461 L N 2.847 124.244 121.223 0.290 0.000 2.352 461 L HA 0.420 4.784 4.340 0.041 0.000 0.272 461 L C 1.234 178.164 176.870 0.100 0.000 1.109 461 L CA -0.066 54.902 54.840 0.214 0.000 0.952 461 L CB -0.303 41.829 42.059 0.122 0.000 1.314 461 L HN 0.116 nan 8.230 nan 0.000 0.427 462 T N 1.592 116.267 114.554 0.201 0.000 2.635 462 T HA -0.310 4.064 4.350 0.041 0.000 0.265 462 T C 1.573 176.308 174.700 0.058 0.000 1.058 462 T CA 2.478 64.665 62.100 0.145 0.000 1.162 462 T CB -0.577 68.396 68.868 0.176 0.000 0.859 462 T HN 0.787 nan 8.240 nan 0.000 0.449 463 H N 1.285 120.364 119.070 0.014 0.000 2.561 463 H HA 0.120 4.701 4.556 0.041 0.000 0.278 463 H C 1.914 177.193 175.328 -0.081 0.000 1.014 463 H CA 0.556 56.593 56.048 -0.018 0.000 1.211 463 H CB -0.799 28.959 29.762 -0.006 0.000 1.365 463 H HN 0.374 nan 8.280 nan 0.000 0.594 464 L N 0.760 121.616 121.223 -0.611 0.000 2.376 464 L HA -0.046 4.318 4.340 0.041 0.000 0.219 464 L C 0.691 177.268 176.870 -0.489 0.000 1.133 464 L CA 0.282 54.690 54.840 -0.720 0.000 0.816 464 L CB -0.306 41.045 42.059 -1.181 0.000 0.933 464 L HN 0.178 nan 8.230 nan 0.000 0.449 465 N N 2.845 121.441 118.700 -0.173 0.000 3.193 465 N HA 0.030 4.794 4.740 0.041 0.000 0.312 465 N C -0.408 175.041 175.510 -0.102 0.000 1.261 465 N CA 0.243 53.286 53.050 -0.012 0.000 1.208 465 N CB 0.127 38.654 38.487 0.067 0.000 1.471 465 N HN 0.554 nan 8.380 nan 0.000 0.548 466 Q N -0.706 119.007 119.800 -0.144 0.000 2.359 466 Q HA 0.821 5.186 4.340 0.041 0.000 0.274 466 Q C -1.646 174.229 176.000 -0.207 0.000 1.074 466 Q CA -1.213 54.441 55.803 -0.247 0.000 0.810 466 Q CB 2.319 30.971 28.738 -0.143 0.000 1.342 466 Q HN 0.109 nan 8.270 nan 0.000 0.427 467 A N 0.942 123.567 122.820 -0.324 0.000 2.556 467 A HA 0.993 5.338 4.320 0.041 0.000 0.294 467 A C -0.839 176.654 177.584 -0.152 0.000 1.091 467 A CA -0.225 51.732 52.037 -0.135 0.000 0.704 467 A CB 2.083 21.070 19.000 -0.021 0.000 1.300 467 A HN 0.919 nan 8.150 nan 0.000 0.406 468 G N -1.119 107.716 108.800 0.058 0.000 2.642 468 G HA2 0.903 4.888 3.960 0.041 0.000 0.293 468 G HA3 0.903 4.888 3.960 0.041 0.000 0.293 468 G C -0.836 174.156 174.900 0.152 0.000 1.341 468 G CA -0.001 45.203 45.100 0.174 0.000 0.916 468 G HN 2.021 nan 8.290 nan 0.000 0.474 469 A N -0.596 122.314 122.820 0.149 0.000 2.594 469 A HA 0.775 5.120 4.320 0.041 0.000 0.295 469 A C -2.044 175.596 177.584 0.093 0.000 1.071 469 A CA -0.558 51.556 52.037 0.128 0.000 0.685 469 A CB 2.041 21.110 19.000 0.116 0.000 1.285 469 A HN 1.719 nan 8.150 nan 0.000 0.405 470 L N 1.638 122.901 121.223 0.068 0.000 2.406 470 L HA 0.778 5.143 4.340 0.041 0.000 0.272 470 L C -1.510 175.370 176.870 0.017 0.000 0.980 470 L CA -0.325 54.536 54.840 0.036 0.000 0.831 470 L CB 1.955 44.030 42.059 0.027 0.000 1.253 470 L HN 0.553 nan 8.230 nan 0.000 0.406 471 V N 4.309 124.222 119.914 -0.002 0.000 2.604 471 V HA 0.649 4.794 4.120 0.041 0.000 0.305 471 V C -0.828 175.222 176.094 -0.074 0.000 1.043 471 V CA -0.636 61.649 62.300 -0.024 0.000 0.888 471 V CB 1.897 33.713 31.823 -0.011 0.000 0.995 471 V HN 0.708 nan 8.190 nan 0.000 0.429 472 Q N 4.258 123.980 119.800 -0.129 0.000 2.340 472 Q HA 0.624 4.989 4.340 0.041 0.000 0.268 472 Q C -1.158 174.633 176.000 -0.349 0.000 1.031 472 Q CA -0.389 55.238 55.803 -0.293 0.000 0.804 472 Q CB 3.072 31.548 28.738 -0.437 0.000 1.286 472 Q HN 0.692 nan 8.270 nan 0.000 0.448 473 I N 2.807 123.173 120.570 -0.339 0.000 2.355 473 I HA 0.321 4.515 4.170 0.041 0.000 0.288 473 I C -0.475 175.428 176.117 -0.357 0.000 0.999 473 I CA -0.851 60.303 61.300 -0.242 0.000 1.163 473 I CB 0.563 38.537 38.000 -0.043 0.000 1.316 473 I HN 0.461 nan 8.210 nan 0.000 0.454 474 Y N 2.837 123.132 120.300 -0.009 0.000 2.298 474 Y HA 0.082 4.656 4.550 0.041 0.000 0.329 474 Y C 2.036 177.890 175.900 -0.078 0.000 1.293 474 Y CA -0.396 57.669 58.100 -0.058 0.000 1.388 474 Y CB 0.794 39.223 38.460 -0.051 0.000 1.309 474 Y HN 0.617 nan 8.280 nan 0.000 0.544 475 T N -3.492 111.075 114.554 0.021 0.000 3.163 475 T HA -0.123 4.252 4.350 0.041 0.000 0.260 475 T C 0.731 175.421 174.700 -0.016 0.000 1.156 475 T CA 0.919 62.965 62.100 -0.089 0.000 1.072 475 T CB -0.353 68.340 68.868 -0.292 0.000 0.937 475 T HN 0.754 nan 8.240 nan 0.000 0.528 476 D N 0.555 120.980 120.400 0.042 0.000 2.350 476 D HA 0.197 4.861 4.640 0.041 0.000 0.213 476 D C 1.630 177.991 176.300 0.102 0.000 1.031 476 D CA 0.558 54.591 54.000 0.055 0.000 0.861 476 D CB -0.543 40.281 40.800 0.041 0.000 0.926 476 D HN 0.541 nan 8.370 nan 0.000 0.520 477 G N 0.463 109.343 108.800 0.133 0.000 2.176 477 G HA2 -0.252 3.732 3.960 0.041 0.000 0.232 477 G HA3 -0.252 3.732 3.960 0.041 0.000 0.232 477 G C 0.337 175.391 174.900 0.258 0.000 0.986 477 G CA 0.278 45.517 45.100 0.232 0.000 0.643 477 G HN 0.723 nan 8.290 nan 0.000 0.522 478 S N -0.895 114.923 115.700 0.197 0.000 2.603 478 S HA 0.747 5.242 4.470 0.041 0.000 0.268 478 S C -0.039 174.680 174.600 0.199 0.000 1.317 478 S CA -0.254 58.054 58.200 0.180 0.000 1.012 478 S CB 2.731 66.020 63.200 0.148 0.000 0.926 478 S HN 1.064 nan 8.310 nan 0.000 0.539 479 V N 1.074 121.072 119.914 0.140 0.000 2.577 479 V HA 0.705 4.850 4.120 0.041 0.000 0.303 479 V C 0.011 176.156 176.094 0.085 0.000 1.042 479 V CA -0.734 61.611 62.300 0.076 0.000 0.872 479 V CB 1.471 33.316 31.823 0.037 0.000 0.998 479 V HN 1.203 nan 8.190 nan 0.000 0.423 480 A N 5.050 127.913 122.820 0.072 0.000 2.274 480 A HA 0.811 5.156 4.320 0.041 0.000 0.309 480 A C -0.897 176.696 177.584 0.015 0.000 1.226 480 A CA -0.337 51.749 52.037 0.081 0.000 0.853 480 A CB 0.793 19.892 19.000 0.165 0.000 1.146 480 A HN 0.815 nan 8.150 nan 0.000 0.518 481 L N 3.003 124.231 121.223 0.008 0.000 2.309 481 L HA 0.592 4.957 4.340 0.041 0.000 0.282 481 L C -0.381 176.487 176.870 -0.003 0.000 1.036 481 L CA -0.179 54.669 54.840 0.013 0.000 0.806 481 L CB 1.297 43.373 42.059 0.028 0.000 1.220 481 L HN 0.770 nan 8.230 nan 0.000 0.429 482 N N 2.151 120.866 118.700 0.024 0.000 2.369 482 N HA 0.427 5.191 4.740 0.041 0.000 0.287 482 N C -1.738 173.809 175.510 0.063 0.000 1.067 482 N CA -0.366 52.668 53.050 -0.027 0.000 0.888 482 N CB 1.546 40.014 38.487 -0.031 0.000 1.616 482 N HN 0.958 nan 8.380 nan 0.000 0.482 483 H N -0.894 118.195 119.070 0.032 0.000 2.977 483 H HA 0.482 5.065 4.556 0.046 0.000 0.350 483 H C 0.811 176.179 175.328 0.067 0.000 1.238 483 H CA -0.736 55.343 56.048 0.052 0.000 1.124 483 H CB 0.728 30.524 29.762 0.056 0.000 1.866 483 H HN 0.406 nan 8.280 nan 0.000 0.550 484 G N -0.188 108.718 108.800 0.176 0.000 2.598 484 G HA2 0.152 4.137 3.960 0.041 0.000 0.215 484 G HA3 0.152 4.137 3.960 0.041 0.000 0.215 484 G C 0.694 175.671 174.900 0.129 0.000 1.131 484 G CA 0.130 45.292 45.100 0.104 0.000 0.785 484 G HN 0.880 nan 8.290 nan 0.000 0.539 485 G N 0.270 109.283 108.800 0.354 0.000 2.483 485 G HA2 0.432 4.416 3.960 0.041 0.000 0.248 485 G HA3 0.432 4.416 3.960 0.041 0.000 0.248 485 G C 0.147 175.121 174.900 0.124 0.000 1.248 485 G CA 0.370 45.632 45.100 0.270 0.000 0.838 485 G HN 0.347 nan 8.290 nan 0.000 0.566 486 T N -0.988 113.577 114.554 0.019 0.000 2.824 486 T HA 0.538 4.913 4.350 0.041 0.000 0.280 486 T C -0.368 174.245 174.700 -0.145 0.000 0.995 486 T CA -0.832 61.237 62.100 -0.051 0.000 1.009 486 T CB 2.227 71.075 68.868 -0.032 0.000 0.955 486 T HN 0.479 nan 8.240 nan 0.000 0.452 487 E N 3.083 123.158 120.200 -0.209 0.000 2.146 487 E HA 0.445 4.820 4.350 0.041 0.000 0.282 487 E C 0.380 176.939 176.600 -0.069 0.000 0.989 487 E CA -0.742 55.514 56.400 -0.241 0.000 0.799 487 E CB 0.838 30.325 29.700 -0.355 0.000 1.088 487 E HN 0.807 nan 8.360 nan 0.000 0.397 488 M N 2.327 121.889 119.600 -0.063 0.000 2.327 488 M HA 0.493 4.998 4.480 0.041 0.000 0.365 488 M C 0.780 177.047 176.300 -0.055 0.000 0.992 488 M CA 0.150 55.401 55.300 -0.082 0.000 0.985 488 M CB 0.936 33.418 32.600 -0.197 0.000 1.673 488 M HN 0.588 nan 8.290 nan 0.000 0.586 489 G N 1.841 110.687 108.800 0.077 0.000 2.229 489 G HA2 -0.229 3.756 3.960 0.041 0.000 0.189 489 G HA3 -0.229 3.756 3.960 0.041 0.000 0.189 489 G C 0.794 175.789 174.900 0.160 0.000 1.000 489 G CA 0.320 45.498 45.100 0.130 0.000 0.663 489 G HN 0.591 nan 8.290 nan 0.000 0.493 490 Q N 1.328 121.174 119.800 0.077 0.000 2.472 490 Q HA 0.312 4.676 4.340 0.041 0.000 0.208 490 Q C 1.613 177.652 176.000 0.065 0.000 0.958 490 Q CA 1.425 57.260 55.803 0.054 0.000 0.932 490 Q CB -0.168 28.564 28.738 -0.009 0.000 1.007 490 Q HN 1.863 nan 8.270 nan 0.000 0.508 491 G N 1.520 110.366 108.800 0.077 0.000 2.132 491 G HA2 -0.286 3.698 3.960 0.041 0.000 0.228 491 G HA3 -0.286 3.698 3.960 0.041 0.000 0.228 491 G C 0.365 175.197 174.900 -0.114 0.000 1.000 491 G CA 0.324 45.389 45.100 -0.058 0.000 0.693 491 G HN 0.371 nan 8.290 nan 0.000 0.515 492 L N 0.528 121.680 121.223 -0.118 0.000 1.970 492 L HA 0.021 4.386 4.340 0.041 0.000 0.212 492 L C 2.542 179.382 176.870 -0.050 0.000 1.071 492 L CA 3.008 57.781 54.840 -0.111 0.000 0.751 492 L CB -0.741 41.232 42.059 -0.144 0.000 0.889 492 L HN 0.387 nan 8.230 nan 0.000 0.432 493 H N -0.167 118.885 119.070 -0.030 0.000 2.390 493 H HA -0.062 4.518 4.556 0.040 0.000 0.298 493 H C 2.152 177.434 175.328 -0.078 0.000 1.106 493 H CA 1.363 57.415 56.048 0.006 0.000 1.297 493 H CB -0.691 29.070 29.762 -0.001 0.000 1.375 493 H HN 0.524 nan 8.280 nan 0.000 0.509 494 A N 1.135 123.929 122.820 -0.042 0.000 1.898 494 A HA -0.150 4.195 4.320 0.041 0.000 0.216 494 A C 2.332 179.888 177.584 -0.048 0.000 1.181 494 A CA 1.414 53.412 52.037 -0.065 0.000 0.620 494 A CB -0.241 18.694 19.000 -0.108 0.000 0.819 494 A HN 0.334 nan 8.150 nan 0.000 0.442 495 K N -0.897 119.472 120.400 -0.052 0.000 2.147 495 K HA -0.078 4.267 4.320 0.041 0.000 0.205 495 K C 1.885 178.452 176.600 -0.055 0.000 1.049 495 K CA 1.381 57.635 56.287 -0.054 0.000 0.936 495 K CB -0.204 32.264 32.500 -0.054 0.000 0.722 495 K HN 0.377 nan 8.250 nan 0.000 0.446 496 M N 0.153 119.720 119.600 -0.054 0.000 2.288 496 M HA -0.070 4.435 4.480 0.041 0.000 0.266 496 M C 2.230 178.513 176.300 -0.028 0.000 1.072 496 M CA 1.030 56.285 55.300 -0.075 0.000 1.132 496 M CB -0.527 31.981 32.600 -0.153 0.000 1.386 496 M HN -0.080 nan 8.290 nan 0.000 0.432 497 V N 0.674 120.580 119.914 -0.015 0.000 2.261 497 V HA -0.291 3.854 4.120 0.041 0.000 0.246 497 V C 2.403 178.471 176.094 -0.043 0.000 1.047 497 V CA 1.750 64.035 62.300 -0.024 0.000 1.015 497 V CB -0.795 31.012 31.823 -0.027 0.000 0.642 497 V HN 0.488 nan 8.190 nan 0.000 0.446 498 Q N -0.644 119.122 119.800 -0.056 0.000 2.152 498 Q HA -0.218 4.146 4.340 0.041 0.000 0.206 498 Q C 2.248 178.192 176.000 -0.093 0.000 0.985 498 Q CA 2.159 57.912 55.803 -0.083 0.000 0.863 498 Q CB -0.368 28.313 28.738 -0.096 0.000 0.904 498 Q HN 0.582 nan 8.270 nan 0.000 0.422 499 V N 0.725 120.612 119.914 -0.046 0.000 2.223 499 V HA -0.321 3.824 4.120 0.041 0.000 0.244 499 V C 2.286 178.402 176.094 0.036 0.000 1.045 499 V CA 1.901 64.225 62.300 0.041 0.000 1.000 499 V CB -1.246 30.628 31.823 0.086 0.000 0.635 499 V HN 0.461 nan 8.190 nan 0.000 0.445 500 A N 0.183 123.005 122.820 0.004 0.000 1.884 500 A HA -0.282 4.063 4.320 0.041 0.000 0.219 500 A C 2.428 179.987 177.584 -0.042 0.000 1.197 500 A CA 2.971 55.001 52.037 -0.012 0.000 0.637 500 A CB -1.115 17.875 19.000 -0.017 0.000 0.827 500 A HN 0.666 nan 8.150 nan 0.000 0.450 501 A N -0.520 122.263 122.820 -0.062 0.000 1.902 501 A HA 0.136 4.481 4.320 0.041 0.000 0.217 501 A C 2.549 180.082 177.584 -0.086 0.000 1.181 501 A CA 2.428 54.409 52.037 -0.093 0.000 0.623 501 A CB -1.138 17.809 19.000 -0.089 0.000 0.818 501 A HN 1.181 nan 8.150 nan 0.000 0.443 502 A N -0.499 122.278 122.820 -0.072 0.000 1.845 502 A HA -0.052 4.293 4.320 0.041 0.000 0.215 502 A C 2.214 179.805 177.584 0.011 0.000 1.195 502 A CA 1.963 53.962 52.037 -0.063 0.000 0.616 502 A CB -1.197 17.706 19.000 -0.162 0.000 0.832 502 A HN 0.489 nan 8.150 nan 0.000 0.443 503 V N -0.158 119.792 119.914 0.060 0.000 2.392 503 V HA -0.236 3.908 4.120 0.041 0.000 0.249 503 V C 2.360 178.447 176.094 -0.011 0.000 1.059 503 V CA 1.959 64.298 62.300 0.066 0.000 1.051 503 V CB -0.645 31.214 31.823 0.060 0.000 0.658 503 V HN 0.532 nan 8.190 nan 0.000 0.455 504 L N -0.236 120.952 121.223 -0.058 0.000 2.529 504 L HA 0.313 4.678 4.340 0.041 0.000 0.223 504 L C 1.558 178.364 176.870 -0.107 0.000 1.113 504 L CA 0.766 55.532 54.840 -0.122 0.000 0.861 504 L CB -0.147 41.804 42.059 -0.180 0.000 1.012 504 L HN 0.557 nan 8.230 nan 0.000 0.461 505 G N 1.906 110.672 108.800 -0.055 0.000 2.212 505 G HA2 -0.262 3.723 3.960 0.041 0.000 0.255 505 G HA3 -0.262 3.723 3.960 0.041 0.000 0.255 505 G C -0.013 174.837 174.900 -0.084 0.000 1.062 505 G CA 0.552 45.656 45.100 0.007 0.000 0.815 505 G HN 0.459 nan 8.290 nan 0.000 0.497 506 I N -3.854 116.608 120.570 -0.179 0.000 3.074 506 I HA 0.738 4.933 4.170 0.041 0.000 0.310 506 I C -0.459 175.577 176.117 -0.135 0.000 1.153 506 I CA -1.580 59.588 61.300 -0.221 0.000 0.993 506 I CB 2.043 39.767 38.000 -0.461 0.000 1.237 506 I HN -0.025 nan 8.210 nan 0.000 0.443 507 D N 4.758 125.100 120.400 -0.097 0.000 2.425 507 D HA 0.167 4.832 4.640 0.041 0.000 0.247 507 D C -1.613 174.644 176.300 -0.072 0.000 1.147 507 D CA -1.850 52.110 54.000 -0.066 0.000 0.879 507 D CB 1.480 42.257 40.800 -0.039 0.000 1.179 507 D HN 0.347 nan 8.370 nan 0.000 0.456 508 P HA -0.171 nan 4.420 nan 0.000 0.218 508 P C 1.465 178.739 177.300 -0.043 0.000 1.146 508 P CA 0.654 63.720 63.100 -0.057 0.000 0.820 508 P CB 0.174 31.843 31.700 -0.052 0.000 0.778 509 V N 0.032 119.925 119.914 -0.035 0.000 2.867 509 V HA -0.180 3.965 4.120 0.041 0.000 0.260 509 V C 2.475 178.559 176.094 -0.016 0.000 1.099 509 V CA 1.451 63.737 62.300 -0.023 0.000 1.122 509 V CB -1.173 30.640 31.823 -0.016 0.000 0.708 509 V HN 0.171 nan 8.190 nan 0.000 0.490 510 Q N -0.229 119.557 119.800 -0.024 0.000 2.378 510 Q HA 0.095 4.460 4.340 0.041 0.000 0.205 510 Q C 0.596 176.596 176.000 0.000 0.000 0.954 510 Q CA 0.487 56.284 55.803 -0.009 0.000 0.901 510 Q CB 0.360 29.076 28.738 -0.038 0.000 0.981 510 Q HN 0.532 nan 8.270 nan 0.000 0.483 511 V N 1.810 121.714 119.914 -0.018 0.000 2.394 511 V HA 0.336 4.481 4.120 0.041 0.000 0.282 511 V C -0.079 176.009 176.094 -0.009 0.000 1.031 511 V CA -0.757 61.536 62.300 -0.012 0.000 0.881 511 V CB 1.600 33.406 31.823 -0.029 0.000 0.982 511 V HN 0.037 nan 8.190 nan 0.000 0.451 512 R N 4.151 124.652 120.500 0.001 0.000 2.437 512 R HA 0.587 4.952 4.340 0.041 0.000 0.310 512 R C -0.955 175.322 176.300 -0.039 0.000 0.955 512 R CA -0.561 55.530 56.100 -0.015 0.000 0.851 512 R CB 1.297 31.599 30.300 0.003 0.000 1.161 512 R HN 0.660 nan 8.270 nan 0.000 0.446 513 I N 3.703 124.221 120.570 -0.087 0.000 2.588 513 I HA 0.215 4.410 4.170 0.041 0.000 0.283 513 I C -0.223 175.789 176.117 -0.177 0.000 1.119 513 I CA 0.817 62.010 61.300 -0.178 0.000 1.419 513 I CB 1.110 38.903 38.000 -0.346 0.000 1.394 513 I HN 0.894 nan 8.210 nan 0.000 0.562 514 T N 4.649 119.091 114.554 -0.187 0.000 2.945 514 T HA 0.826 5.201 4.350 0.041 0.000 0.286 514 T C 0.024 174.612 174.700 -0.186 0.000 1.025 514 T CA -0.666 61.350 62.100 -0.139 0.000 1.039 514 T CB 1.294 70.119 68.868 -0.072 0.000 1.068 514 T HN 0.855 nan 8.240 nan 0.000 0.497 515 A N 1.943 124.701 122.820 -0.102 0.000 2.520 515 A HA 0.461 4.805 4.320 0.041 0.000 0.235 515 A C 0.858 178.401 177.584 -0.068 0.000 1.065 515 A CA -0.397 51.606 52.037 -0.057 0.000 0.764 515 A CB -0.724 18.272 19.000 -0.006 0.000 1.002 515 A HN 0.917 nan 8.150 nan 0.000 0.502 516 T N 2.091 116.621 114.554 -0.040 0.000 2.902 516 T HA 0.325 4.700 4.350 0.041 0.000 0.301 516 T C -0.275 174.402 174.700 -0.039 0.000 1.012 516 T CA 0.576 62.644 62.100 -0.055 0.000 1.151 516 T CB 0.176 69.029 68.868 -0.026 0.000 0.946 516 T HN 0.656 nan 8.240 nan 0.000 0.542 517 D N 1.529 121.905 120.400 -0.040 0.000 2.890 517 D HA 0.183 4.848 4.640 0.041 0.000 0.233 517 D C 1.268 177.552 176.300 -0.026 0.000 1.306 517 D CA -0.578 53.399 54.000 -0.039 0.000 0.929 517 D CB 1.435 42.213 40.800 -0.037 0.000 1.512 517 D HN 0.473 nan 8.370 nan 0.000 0.568 518 T N 0.014 114.549 114.554 -0.032 0.000 2.929 518 T HA -0.153 4.221 4.350 0.041 0.000 0.271 518 T C 1.474 176.174 174.700 -0.001 0.000 1.085 518 T CA 1.440 63.532 62.100 -0.014 0.000 1.125 518 T CB -0.234 68.615 68.868 -0.032 0.000 0.874 518 T HN 0.272 nan 8.240 nan 0.000 0.494 519 S N -0.248 115.445 115.700 -0.011 0.000 2.631 519 S HA 0.305 4.800 4.470 0.041 0.000 0.217 519 S C 1.447 176.050 174.600 0.005 0.000 0.958 519 S CA -0.299 57.901 58.200 -0.001 0.000 0.920 519 S CB -0.084 63.108 63.200 -0.013 0.000 0.776 519 S HN 0.572 nan 8.310 nan 0.000 0.517 520 K N -0.065 120.338 120.400 0.006 0.000 2.424 520 K HA 0.347 4.692 4.320 0.041 0.000 0.200 520 K C -0.691 175.925 176.600 0.026 0.000 1.279 520 K CA 0.291 56.585 56.287 0.011 0.000 0.918 520 K CB 1.182 33.682 32.500 -0.000 0.000 1.287 520 K HN 0.183 nan 8.250 nan 0.000 0.502 521 V N 4.482 124.414 119.914 0.031 0.000 2.380 521 V HA 0.309 4.454 4.120 0.041 0.000 0.286 521 V C -2.584 173.549 176.094 0.064 0.000 1.015 521 V CA -1.827 60.508 62.300 0.058 0.000 0.834 521 V CB 1.350 33.215 31.823 0.070 0.000 1.009 521 V HN 0.098 nan 8.190 nan 0.000 0.428 522 P HA 0.363 nan 4.420 nan 0.000 0.281 522 P C -0.362 177.001 177.300 0.105 0.000 1.249 522 P CA -0.272 62.877 63.100 0.081 0.000 0.810 522 P CB 0.660 32.405 31.700 0.075 0.000 1.008 523 N N -1.541 117.225 118.700 0.109 0.000 2.738 523 N HA -0.110 4.655 4.740 0.041 0.000 0.249 523 N C 0.046 175.628 175.510 0.120 0.000 1.047 523 N CA 1.154 54.282 53.050 0.130 0.000 0.707 523 N CB -2.454 36.117 38.487 0.140 0.000 0.937 523 N HN 0.675 nan 8.380 nan 0.000 0.545 524 T N -3.530 111.085 114.554 0.103 0.000 2.899 524 T HA 0.592 4.967 4.350 0.041 0.000 0.284 524 T C 0.733 175.445 174.700 0.021 0.000 1.004 524 T CA -0.561 61.575 62.100 0.060 0.000 1.043 524 T CB 1.908 70.807 68.868 0.052 0.000 1.013 524 T HN 0.096 nan 8.240 nan 0.000 0.518 525 S N 0.547 116.156 115.700 -0.152 0.000 2.652 525 S HA 0.639 5.133 4.470 0.041 0.000 0.270 525 S C 0.684 174.897 174.600 -0.644 0.000 1.243 525 S CA -0.648 57.295 58.200 -0.428 0.000 0.999 525 S CB 0.577 63.442 63.200 -0.558 0.000 0.973 525 S HN 1.114 nan 8.310 nan 0.000 0.544 526 A N 1.390 123.596 122.820 -1.022 0.000 2.466 526 A HA 0.337 4.681 4.320 0.041 0.000 0.238 526 A C 0.379 177.885 177.584 -0.129 0.000 1.074 526 A CA -0.076 51.582 52.037 -0.632 0.000 0.774 526 A CB -0.308 18.488 19.000 -0.339 0.000 1.015 526 A HN 0.671 nan 8.150 nan 0.000 0.498 527 T N 1.847 116.356 114.554 -0.075 0.000 2.743 527 T HA 0.533 4.908 4.350 0.041 0.000 0.290 527 T C 0.240 174.921 174.700 -0.031 0.000 0.908 527 T CA 0.960 63.050 62.100 -0.017 0.000 1.092 527 T CB -0.226 68.623 68.868 -0.033 0.000 0.882 527 T HN 1.438 nan 8.240 nan 0.000 0.531 528 A N 2.451 125.250 122.820 -0.036 0.000 2.515 528 A HA 0.796 5.141 4.320 0.041 0.000 0.292 528 A C 0.479 177.793 177.584 -0.450 0.000 1.065 528 A CA -0.274 51.653 52.037 -0.183 0.000 0.641 528 A CB -0.034 18.877 19.000 -0.148 0.000 1.306 528 A HN 1.675 nan 8.150 nan 0.000 0.441 529 A N -0.604 121.880 122.820 -0.560 0.000 2.979 529 A HA 0.099 4.443 4.320 0.041 0.000 0.260 529 A C 1.213 178.595 177.584 -0.337 0.000 1.282 529 A CA 1.783 53.442 52.037 -0.631 0.000 0.971 529 A CB -2.629 15.552 19.000 -1.365 0.000 1.124 529 A HN 2.614 nan 8.150 nan 0.000 0.826 530 S N -2.702 112.861 115.700 -0.229 0.000 3.521 530 S HA -0.300 4.195 4.470 0.041 0.000 0.328 530 S C 1.143 175.683 174.600 -0.099 0.000 1.165 530 S CA 1.886 60.004 58.200 -0.137 0.000 0.941 530 S CB -2.535 60.590 63.200 -0.124 0.000 0.951 530 S HN 2.532 nan 8.310 nan 0.000 0.539 531 S N 0.302 115.928 115.700 -0.124 0.000 2.503 531 S HA 0.285 4.780 4.470 0.041 0.000 0.217 531 S C 2.093 176.705 174.600 0.019 0.000 0.999 531 S CA 0.683 58.865 58.200 -0.030 0.000 0.914 531 S CB -0.426 62.784 63.200 0.017 0.000 0.782 531 S HN 0.874 nan 8.310 nan 0.000 0.520 532 G N 2.278 111.074 108.800 -0.006 0.000 2.599 532 G HA2 -0.201 3.784 3.960 0.041 0.000 0.219 532 G HA3 -0.201 3.784 3.960 0.041 0.000 0.219 532 G C 1.672 176.549 174.900 -0.037 0.000 1.193 532 G CA 1.318 46.413 45.100 -0.008 0.000 0.778 532 G HN 0.825 nan 8.290 nan 0.000 0.589 533 A N 0.490 123.283 122.820 -0.045 0.000 1.897 533 A HA 0.045 4.390 4.320 0.041 0.000 0.215 533 A C 2.113 179.656 177.584 -0.068 0.000 1.181 533 A CA 2.059 54.056 52.037 -0.066 0.000 0.620 533 A CB -0.466 18.510 19.000 -0.041 0.000 0.821 533 A HN 0.304 nan 8.150 nan 0.000 0.443 534 D N -0.218 120.165 120.400 -0.029 0.000 2.106 534 D HA -0.178 4.486 4.640 0.041 0.000 0.191 534 D C 2.105 178.319 176.300 -0.144 0.000 0.997 534 D CA 1.976 55.954 54.000 -0.037 0.000 0.834 534 D CB -0.214 40.629 40.800 0.071 0.000 0.956 534 D HN 0.513 nan 8.370 nan 0.000 0.448 535 M N -0.591 118.973 119.600 -0.060 0.000 2.412 535 M HA 0.038 4.543 4.480 0.041 0.000 0.263 535 M C 1.822 178.066 176.300 -0.094 0.000 1.122 535 M CA 0.507 55.786 55.300 -0.035 0.000 1.179 535 M CB -0.169 32.529 32.600 0.162 0.000 1.335 535 M HN -0.046 nan 8.290 nan 0.000 0.465 536 N N 1.076 119.732 118.700 -0.072 0.000 2.084 536 N HA -0.106 4.659 4.740 0.041 0.000 0.190 536 N C 1.915 177.335 175.510 -0.151 0.000 1.030 536 N CA 1.723 54.717 53.050 -0.093 0.000 0.849 536 N CB -0.464 37.945 38.487 -0.130 0.000 1.012 536 N HN 0.428 nan 8.380 nan 0.000 0.423 537 G N 2.311 111.007 108.800 -0.172 0.000 2.606 537 G HA2 -0.286 3.699 3.960 0.041 0.000 0.221 537 G HA3 -0.286 3.699 3.960 0.041 0.000 0.221 537 G C 1.535 176.335 174.900 -0.167 0.000 1.152 537 G CA 0.990 46.002 45.100 -0.147 0.000 0.765 537 G HN 0.169 nan 8.290 nan 0.000 0.595 538 M N 0.781 120.207 119.600 -0.291 0.000 2.156 538 M HA 0.105 4.610 4.480 0.041 0.000 0.264 538 M C 3.097 179.297 176.300 -0.167 0.000 1.067 538 M CA 1.287 56.363 55.300 -0.373 0.000 1.131 538 M CB -1.283 30.748 32.600 -0.948 0.000 1.368 538 M HN 0.336 nan 8.290 nan 0.000 0.416 539 A N -0.235 122.528 122.820 -0.095 0.000 1.940 539 A HA -0.091 4.254 4.320 0.041 0.000 0.219 539 A C 2.455 180.051 177.584 0.019 0.000 1.176 539 A CA 1.722 53.767 52.037 0.014 0.000 0.631 539 A CB -0.939 18.078 19.000 0.028 0.000 0.814 539 A HN 0.293 nan 8.150 nan 0.000 0.446 540 V N 0.229 120.134 119.914 -0.015 0.000 2.270 540 V HA -0.261 3.884 4.120 0.041 0.000 0.245 540 V C 2.553 178.643 176.094 -0.006 0.000 1.043 540 V CA 2.365 64.664 62.300 -0.001 0.000 1.014 540 V CB -0.625 31.185 31.823 -0.021 0.000 0.645 540 V HN 0.758 nan 8.190 nan 0.000 0.447 541 K N 0.166 120.549 120.400 -0.028 0.000 2.113 541 K HA -0.306 4.039 4.320 0.041 0.000 0.208 541 K C 1.872 178.456 176.600 -0.027 0.000 1.047 541 K CA 2.343 58.610 56.287 -0.033 0.000 0.928 541 K CB -0.381 32.062 32.500 -0.096 0.000 0.716 541 K HN 0.509 nan 8.250 nan 0.000 0.446 542 D N -0.005 120.386 120.400 -0.015 0.000 2.092 542 D HA -0.162 4.502 4.640 0.041 0.000 0.193 542 D C 1.761 178.075 176.300 0.024 0.000 0.994 542 D CA 1.924 55.936 54.000 0.019 0.000 0.828 542 D CB -0.253 40.587 40.800 0.066 0.000 0.963 542 D HN 0.355 nan 8.370 nan 0.000 0.450 543 A N -0.232 122.606 122.820 0.030 0.000 1.865 543 A HA -0.210 4.135 4.320 0.041 0.000 0.217 543 A C 2.736 180.321 177.584 0.001 0.000 1.191 543 A CA 1.812 53.862 52.037 0.023 0.000 0.623 543 A CB -1.217 17.801 19.000 0.030 0.000 0.826 543 A HN 0.513 nan 8.150 nan 0.000 0.444 544 C N -0.679 118.618 119.300 -0.005 0.000 2.398 544 C HA -0.142 4.343 4.460 0.041 0.000 0.276 544 C C 2.672 177.638 174.990 -0.040 0.000 1.222 544 C CA 1.369 60.375 59.018 -0.020 0.000 1.746 544 C CB -1.445 26.287 27.740 -0.015 0.000 2.039 544 C HN 0.691 nan 8.230 nan 0.000 0.470 545 E N -0.300 119.881 120.200 -0.032 0.000 2.153 545 E HA -0.163 4.212 4.350 0.041 0.000 0.194 545 E C 2.131 178.709 176.600 -0.037 0.000 0.988 545 E CA 1.522 57.899 56.400 -0.039 0.000 0.811 545 E CB -0.187 29.498 29.700 -0.024 0.000 0.746 545 E HN 0.617 nan 8.360 nan 0.000 0.466 546 T N 1.261 115.802 114.554 -0.021 0.000 2.737 546 T HA -0.110 4.264 4.350 0.041 0.000 0.265 546 T C 1.913 176.595 174.700 -0.031 0.000 1.038 546 T CA 0.789 62.880 62.100 -0.016 0.000 1.144 546 T CB -0.155 68.711 68.868 -0.003 0.000 0.866 546 T HN 0.077 nan 8.240 nan 0.000 0.434 547 L N 0.590 121.789 121.223 -0.040 0.000 1.994 547 L HA -0.084 4.281 4.340 0.041 0.000 0.208 547 L C 2.935 179.750 176.870 -0.091 0.000 1.071 547 L CA 1.383 56.193 54.840 -0.050 0.000 0.745 547 L CB -0.549 41.488 42.059 -0.036 0.000 0.892 547 L HN 0.131 nan 8.230 nan 0.000 0.431 548 R N 0.435 120.840 120.500 -0.158 0.000 2.154 548 R HA -0.189 4.176 4.340 0.041 0.000 0.248 548 R C 2.066 178.248 176.300 -0.196 0.000 1.155 548 R CA 1.679 57.566 56.100 -0.355 0.000 0.979 548 R CB -0.502 29.550 30.300 -0.413 0.000 0.869 548 R HN 0.479 nan 8.270 nan 0.000 0.452 549 G N 0.355 109.111 108.800 -0.074 0.000 2.402 549 G HA2 -0.219 3.765 3.960 0.041 0.000 0.216 549 G HA3 -0.219 3.765 3.960 0.041 0.000 0.216 549 G C 1.479 176.400 174.900 0.034 0.000 1.162 549 G CA 0.339 45.440 45.100 0.001 0.000 0.777 549 G HN 0.329 nan 8.290 nan 0.000 0.539 550 R N -0.129 120.380 120.500 0.014 0.000 2.062 550 R HA 0.098 4.463 4.340 0.041 0.000 0.231 550 R C 2.616 178.971 176.300 0.092 0.000 1.136 550 R CA 0.921 57.041 56.100 0.034 0.000 0.948 550 R CB -0.687 29.609 30.300 -0.006 0.000 0.845 550 R HN 0.275 nan 8.270 nan 0.000 0.430 551 L N 0.538 121.809 121.223 0.079 0.000 2.081 551 L HA -0.245 4.120 4.340 0.041 0.000 0.212 551 L C 2.663 179.752 176.870 0.366 0.000 1.080 551 L CA 1.444 56.409 54.840 0.207 0.000 0.754 551 L CB -0.502 41.655 42.059 0.163 0.000 0.893 551 L HN 0.314 nan 8.230 nan 0.000 0.433 552 A N -0.231 122.786 122.820 0.329 0.000 1.898 552 A HA -0.034 4.311 4.320 0.041 0.000 0.214 552 A C 2.408 180.090 177.584 0.162 0.000 1.183 552 A CA 1.308 53.542 52.037 0.328 0.000 0.622 552 A CB -1.184 18.020 19.000 0.340 0.000 0.824 552 A HN 0.416 nan 8.150 nan 0.000 0.444 553 G N -0.642 108.241 108.800 0.138 0.000 2.469 553 G HA2 -0.280 3.705 3.960 0.041 0.000 0.219 553 G HA3 -0.280 3.705 3.960 0.041 0.000 0.219 553 G C 1.453 176.412 174.900 0.098 0.000 1.150 553 G CA 1.329 46.486 45.100 0.095 0.000 0.763 553 G HN 0.504 nan 8.290 nan 0.000 0.561 554 F N 1.541 121.487 119.950 -0.008 0.000 2.046 554 F HA -0.128 4.425 4.527 0.043 0.000 0.297 554 F C 2.681 178.438 175.800 -0.071 0.000 1.123 554 F CA 1.772 59.746 58.000 -0.044 0.000 1.199 554 F CB -0.757 38.208 39.000 -0.059 0.000 0.972 554 F HN 0.009 nan 8.300 nan 0.000 0.474 555 V N 0.965 120.636 119.914 -0.405 0.000 2.332 555 V HA -0.330 3.815 4.120 0.041 0.000 0.248 555 V C 2.824 178.723 176.094 -0.326 0.000 1.055 555 V CA 1.939 63.907 62.300 -0.554 0.000 1.038 555 V CB -1.714 29.902 31.823 -0.344 0.000 0.651 555 V HN 0.575 nan 8.190 nan 0.000 0.450 556 A N -0.019 122.712 122.820 -0.149 0.000 1.883 556 A HA -0.193 4.152 4.320 0.041 0.000 0.217 556 A C 2.451 179.978 177.584 -0.095 0.000 1.186 556 A CA 2.411 54.403 52.037 -0.076 0.000 0.624 556 A CB -0.935 18.056 19.000 -0.015 0.000 0.822 556 A HN 0.599 nan 8.150 nan 0.000 0.444 557 A N -0.681 122.074 122.820 -0.108 0.000 1.883 557 A HA -0.193 4.152 4.320 0.041 0.000 0.217 557 A C 2.331 179.833 177.584 -0.137 0.000 1.186 557 A CA 1.823 53.806 52.037 -0.091 0.000 0.624 557 A CB -0.516 18.453 19.000 -0.051 0.000 0.822 557 A HN 0.483 nan 8.150 nan 0.000 0.444 558 R N -0.380 119.959 120.500 -0.269 0.000 2.073 558 R HA -0.065 4.300 4.340 0.041 0.000 0.229 558 R C 0.905 177.101 176.300 -0.174 0.000 1.120 558 R CA 1.440 57.371 56.100 -0.281 0.000 0.967 558 R CB -0.202 29.759 30.300 -0.565 0.000 0.862 558 R HN 0.437 nan 8.270 nan 0.000 0.436 559 E N 0.037 120.137 120.200 -0.166 0.000 2.476 559 E HA 0.076 4.451 4.350 0.041 0.000 0.191 559 E C 0.094 176.676 176.600 -0.029 0.000 1.064 559 E CA 0.483 56.854 56.400 -0.048 0.000 0.866 559 E CB 0.080 29.793 29.700 0.022 0.000 0.952 559 E HN 0.526 nan 8.360 nan 0.000 0.492 560 G N 2.343 111.113 108.800 -0.051 0.000 2.261 560 G HA2 -0.248 3.737 3.960 0.041 0.000 0.220 560 G HA3 -0.248 3.737 3.960 0.041 0.000 0.220 560 G C 0.274 175.165 174.900 -0.015 0.000 0.572 560 G CA 0.581 45.663 45.100 -0.030 0.000 1.011 560 G HN 0.475 nan 8.290 nan 0.000 0.328 561 C N 0.233 119.525 119.300 -0.014 0.000 3.056 561 C HA 0.918 5.402 4.460 0.041 0.000 0.336 561 C C 0.699 175.691 174.990 0.003 0.000 1.356 561 C CA -0.346 58.671 59.018 -0.001 0.000 1.216 561 C CB 0.839 28.583 27.740 0.006 0.000 1.391 561 C HN 2.576 nan 8.230 nan 0.000 0.445 562 A N 0.715 123.542 122.820 0.012 0.000 2.466 562 A HA 0.590 4.934 4.320 0.041 0.000 0.238 562 A C 1.400 179.003 177.584 0.030 0.000 1.074 562 A CA 0.632 52.681 52.037 0.020 0.000 0.774 562 A CB -0.071 18.943 19.000 0.023 0.000 1.015 562 A HN 2.528 nan 8.150 nan 0.000 0.498 563 A N 1.185 124.029 122.820 0.041 0.000 2.016 563 A HA -0.057 4.288 4.320 0.041 0.000 0.217 563 A C 2.011 179.648 177.584 0.088 0.000 1.162 563 A CA 1.241 53.317 52.037 0.065 0.000 0.662 563 A CB -0.354 18.688 19.000 0.070 0.000 0.812 563 A HN 0.917 nan 8.150 nan 0.000 0.450 564 R N -0.524 120.019 120.500 0.070 0.000 2.339 564 R HA -0.019 4.346 4.340 0.041 0.000 0.199 564 R C -0.298 176.046 176.300 0.073 0.000 1.018 564 R CA 1.304 57.450 56.100 0.076 0.000 1.036 564 R CB -0.313 30.021 30.300 0.056 0.000 0.899 564 R HN 0.271 nan 8.270 nan 0.000 0.473 565 D N 1.187 121.624 120.400 0.061 0.000 2.340 565 D HA 0.089 4.754 4.640 0.041 0.000 0.217 565 D C -0.280 176.048 176.300 0.047 0.000 1.081 565 D CA 0.129 54.157 54.000 0.048 0.000 0.842 565 D CB 0.895 41.715 40.800 0.033 0.000 0.934 565 D HN 0.001 nan 8.370 nan 0.000 0.511 566 V N 2.576 122.529 119.914 0.065 0.000 2.385 566 V HA 0.266 4.410 4.120 0.041 0.000 0.269 566 V C 0.392 176.502 176.094 0.026 0.000 1.043 566 V CA -0.487 61.822 62.300 0.015 0.000 0.906 566 V CB 1.030 32.870 31.823 0.030 0.000 0.995 566 V HN -0.075 nan 8.190 nan 0.000 0.467 567 I N 5.086 125.618 120.570 -0.063 0.000 2.359 567 I HA 0.487 4.682 4.170 0.041 0.000 0.294 567 I C -0.757 175.292 176.117 -0.114 0.000 0.987 567 I CA -0.201 61.113 61.300 0.023 0.000 1.225 567 I CB 1.212 39.235 38.000 0.037 0.000 1.366 567 I HN 0.344 nan 8.210 nan 0.000 0.466 568 F N 3.776 123.800 119.950 0.124 0.000 2.375 568 F HA 0.507 5.059 4.527 0.042 0.000 0.361 568 F C -0.226 175.629 175.800 0.091 0.000 1.117 568 F CA -0.610 57.480 58.000 0.150 0.000 1.037 568 F CB 1.252 40.362 39.000 0.184 0.000 1.192 568 F HN 0.427 nan 8.300 nan 0.000 0.452 569 D N 1.492 122.009 120.400 0.195 0.000 2.937 569 D HA 0.528 5.193 4.640 0.041 0.000 0.215 569 D C -0.406 175.939 176.300 0.076 0.000 1.274 569 D CA -0.142 53.925 54.000 0.111 0.000 0.869 569 D CB 1.634 42.481 40.800 0.080 0.000 1.675 569 D HN 0.738 nan 8.370 nan 0.000 0.538 570 A N 2.681 125.526 122.820 0.041 0.000 2.745 570 A HA 0.168 4.513 4.320 0.041 0.000 0.296 570 A C 1.589 179.197 177.584 0.041 0.000 1.500 570 A CA 1.852 53.903 52.037 0.024 0.000 0.766 570 A CB -2.202 16.810 19.000 0.020 0.000 1.030 570 A HN 2.010 nan 8.150 nan 0.000 0.489 571 G N -2.680 106.148 108.800 0.047 0.000 2.189 571 G HA2 -0.255 3.729 3.960 0.041 0.000 0.267 571 G HA3 -0.255 3.729 3.960 0.041 0.000 0.267 571 G C -0.016 174.992 174.900 0.180 0.000 0.975 571 G CA 1.066 46.218 45.100 0.087 0.000 0.644 571 G HN 1.494 nan 8.290 nan 0.000 0.537 572 Q N -0.491 119.404 119.800 0.159 0.000 2.301 572 Q HA 0.714 5.079 4.340 0.041 0.000 0.267 572 Q C -0.424 175.673 176.000 0.161 0.000 1.035 572 Q CA -0.742 55.157 55.803 0.159 0.000 0.856 572 Q CB 2.809 31.597 28.738 0.083 0.000 1.337 572 Q HN 0.283 nan 8.270 nan 0.000 0.450 573 V N 1.426 121.433 119.914 0.156 0.000 2.604 573 V HA 0.401 4.546 4.120 0.041 0.000 0.305 573 V C -0.422 175.742 176.094 0.115 0.000 1.043 573 V CA -0.735 61.553 62.300 -0.019 0.000 0.888 573 V CB 1.986 33.725 31.823 -0.140 0.000 0.995 573 V HN 0.629 nan 8.190 nan 0.000 0.429 574 Q N 2.276 122.068 119.800 -0.012 0.000 2.375 574 Q HA 0.880 5.244 4.340 0.041 0.000 0.271 574 Q C -0.821 175.220 176.000 0.067 0.000 1.074 574 Q CA -0.705 55.119 55.803 0.034 0.000 0.808 574 Q CB 2.986 31.711 28.738 -0.022 0.000 1.327 574 Q HN 0.978 nan 8.270 nan 0.000 0.441 575 A N 0.300 123.186 122.820 0.110 0.000 2.590 575 A HA 0.483 4.828 4.320 0.041 0.000 0.294 575 A C -0.347 177.274 177.584 0.063 0.000 1.046 575 A CA -0.400 51.698 52.037 0.101 0.000 0.684 575 A CB 0.921 20.008 19.000 0.146 0.000 1.279 575 A HN 0.685 nan 8.150 nan 0.000 0.415 576 S N 0.010 115.730 115.700 0.034 0.000 3.462 576 S HA -0.059 4.435 4.470 0.041 0.000 0.370 576 S C 1.612 176.189 174.600 -0.038 0.000 1.028 576 S CA 1.980 60.185 58.200 0.010 0.000 1.119 576 S CB -1.625 61.597 63.200 0.037 0.000 0.906 576 S HN 2.809 nan 8.310 nan 0.000 0.471 577 G N -0.160 108.604 108.800 -0.058 0.000 2.225 577 G HA2 -0.338 3.647 3.960 0.041 0.000 0.267 577 G HA3 -0.338 3.647 3.960 0.041 0.000 0.267 577 G C -0.201 174.595 174.900 -0.173 0.000 1.024 577 G CA 1.029 46.072 45.100 -0.094 0.000 0.784 577 G HN 0.738 nan 8.290 nan 0.000 0.507 578 K N -0.288 119.948 120.400 -0.274 0.000 2.385 578 K HA 0.754 5.098 4.320 0.041 0.000 0.248 578 K C 0.107 176.255 176.600 -0.753 0.000 0.955 578 K CA -0.243 55.712 56.287 -0.554 0.000 0.816 578 K CB 2.169 34.227 32.500 -0.737 0.000 1.250 578 K HN 0.403 nan 8.250 nan 0.000 0.434 579 S N 0.112 115.336 115.700 -0.794 0.000 2.677 579 S HA 0.671 5.166 4.470 0.041 0.000 0.304 579 S C -1.140 173.046 174.600 -0.690 0.000 1.108 579 S CA -0.847 57.014 58.200 -0.564 0.000 0.944 579 S CB 1.307 64.380 63.200 -0.211 0.000 1.127 579 S HN 0.639 nan 8.310 nan 0.000 0.511 580 W N -0.298 120.991 121.300 -0.019 0.000 3.146 580 W HA 0.407 5.092 4.660 0.042 0.000 0.319 580 W C -0.545 175.994 176.519 0.033 0.000 1.258 580 W CA -0.838 56.509 57.345 0.003 0.000 1.189 580 W CB 1.905 31.363 29.460 -0.004 0.000 1.412 580 W HN 0.657 nan 8.180 nan 0.000 0.567 581 R N 1.011 121.688 120.500 0.296 0.000 2.543 581 R HA 0.103 4.468 4.340 0.041 0.000 0.277 581 R C 1.181 177.649 176.300 0.280 0.000 1.074 581 R CA -0.388 55.862 56.100 0.249 0.000 1.076 581 R CB 0.676 31.089 30.300 0.189 0.000 0.993 581 R HN 0.423 nan 8.270 nan 0.000 0.459 582 F N 2.768 122.812 119.950 0.155 0.000 2.085 582 F HA -0.356 4.195 4.527 0.040 0.000 0.299 582 F C 2.097 177.978 175.800 0.136 0.000 1.096 582 F CA 2.355 60.456 58.000 0.168 0.000 1.227 582 F CB -0.179 38.921 39.000 0.167 0.000 0.983 582 F HN 0.697 nan 8.300 nan 0.000 0.482 583 A N -0.569 122.382 122.820 0.219 0.000 1.972 583 A HA -0.205 4.139 4.320 0.041 0.000 0.219 583 A C 2.117 179.719 177.584 0.029 0.000 1.169 583 A CA 1.849 53.949 52.037 0.105 0.000 0.635 583 A CB -0.805 18.282 19.000 0.145 0.000 0.810 583 A HN 0.588 nan 8.150 nan 0.000 0.446 584 E N -0.482 119.758 120.200 0.067 0.000 2.072 584 E HA -0.109 4.265 4.350 0.041 0.000 0.190 584 E C 1.809 178.392 176.600 -0.028 0.000 0.982 584 E CA 0.889 57.323 56.400 0.056 0.000 0.803 584 E CB -0.114 29.674 29.700 0.146 0.000 0.755 584 E HN 0.530 nan 8.360 nan 0.000 0.453 585 I N 0.682 121.200 120.570 -0.087 0.000 2.252 585 I HA -0.195 4.000 4.170 0.041 0.000 0.245 585 I C 2.345 178.380 176.117 -0.137 0.000 1.102 585 I CA 0.979 62.202 61.300 -0.128 0.000 1.385 585 I CB -0.970 36.940 38.000 -0.150 0.000 1.064 585 I HN 0.026 nan 8.210 nan 0.000 0.414 586 V N 1.413 121.182 119.914 -0.242 0.000 2.407 586 V HA -0.224 3.921 4.120 0.041 0.000 0.248 586 V C 2.837 178.862 176.094 -0.115 0.000 1.055 586 V CA 1.681 63.837 62.300 -0.239 0.000 1.049 586 V CB -1.071 30.579 31.823 -0.287 0.000 0.662 586 V HN 0.437 nan 8.190 nan 0.000 0.455 587 A N 0.109 122.896 122.820 -0.053 0.000 1.877 587 A HA -0.119 4.226 4.320 0.041 0.000 0.216 587 A C 2.435 180.028 177.584 0.015 0.000 1.186 587 A CA 2.101 54.152 52.037 0.025 0.000 0.620 587 A CB -0.817 18.206 19.000 0.037 0.000 0.822 587 A HN 0.562 nan 8.150 nan 0.000 0.443 588 A N -0.226 122.577 122.820 -0.029 0.000 1.933 588 A HA 0.171 4.516 4.320 0.041 0.000 0.218 588 A C 2.484 179.846 177.584 -0.369 0.000 1.175 588 A CA 2.053 54.080 52.037 -0.017 0.000 0.628 588 A CB -0.955 18.143 19.000 0.163 0.000 0.814 588 A HN 1.054 nan 8.150 nan 0.000 0.444 589 A N -1.319 121.118 122.820 -0.639 0.000 1.933 589 A HA -0.079 4.266 4.320 0.041 0.000 0.218 589 A C 2.104 179.402 177.584 -0.475 0.000 1.175 589 A CA 1.660 53.088 52.037 -1.015 0.000 0.628 589 A CB -0.816 17.766 19.000 -0.697 0.000 0.814 589 A HN 0.758 nan 8.150 nan 0.000 0.444 590 Y N 0.479 120.582 120.300 -0.328 0.000 2.097 590 Y HA -0.255 4.321 4.550 0.043 0.000 0.282 590 Y C 2.271 178.069 175.900 -0.170 0.000 1.152 590 Y CA 2.256 60.235 58.100 -0.201 0.000 1.136 590 Y CB -0.498 37.886 38.460 -0.127 0.000 0.975 590 Y HN 0.287 nan 8.280 nan 0.000 0.498 591 M N -0.231 119.117 119.600 -0.421 0.000 2.229 591 M HA -0.110 4.395 4.480 0.041 0.000 0.264 591 M C 2.196 178.306 176.300 -0.317 0.000 1.063 591 M CA 1.443 56.483 55.300 -0.433 0.000 1.114 591 M CB -0.447 32.044 32.600 -0.181 0.000 1.387 591 M HN 0.429 nan 8.290 nan 0.000 0.420 592 A N 0.137 122.779 122.820 -0.296 0.000 2.239 592 A HA -0.009 4.335 4.320 0.041 0.000 0.209 592 A C 0.748 178.196 177.584 -0.228 0.000 1.171 592 A CA 0.234 52.137 52.037 -0.225 0.000 0.768 592 A CB -0.538 18.289 19.000 -0.288 0.000 0.790 592 A HN 0.554 nan 8.150 nan 0.000 0.478 593 R N -1.770 118.558 120.500 -0.287 0.000 3.267 593 R HA -0.156 4.208 4.340 0.041 0.000 0.254 593 R C -1.157 175.050 176.300 -0.155 0.000 0.993 593 R CA 0.699 56.668 56.100 -0.218 0.000 0.670 593 R CB -2.049 28.149 30.300 -0.171 0.000 1.125 593 R HN 0.547 nan 8.270 nan 0.000 0.434 594 I N 0.332 120.792 120.570 -0.184 0.000 2.362 594 I HA 0.101 4.296 4.170 0.041 0.000 0.289 594 I C 0.865 176.923 176.117 -0.098 0.000 0.994 594 I CA -0.300 60.914 61.300 -0.144 0.000 1.158 594 I CB 1.881 39.751 38.000 -0.216 0.000 1.315 594 I HN 0.117 nan 8.210 nan 0.000 0.451 595 S N 5.928 121.590 115.700 -0.063 0.000 2.563 595 S HA 0.131 4.626 4.470 0.041 0.000 0.294 595 S C 0.529 175.095 174.600 -0.057 0.000 1.279 595 S CA 0.170 58.343 58.200 -0.045 0.000 1.069 595 S CB 0.159 63.338 63.200 -0.035 0.000 0.828 595 S HN 0.501 nan 8.310 nan 0.000 0.497 596 L N 4.113 125.299 121.223 -0.060 0.000 3.110 596 L HA 0.338 4.703 4.340 0.041 0.000 0.266 596 L C 0.306 177.114 176.870 -0.103 0.000 1.257 596 L CA -0.174 54.615 54.840 -0.085 0.000 1.038 596 L CB 0.627 42.625 42.059 -0.101 0.000 1.395 596 L HN 0.498 nan 8.230 nan 0.000 0.566 597 S N 0.711 116.365 115.700 -0.076 0.000 2.647 597 S HA 0.837 5.331 4.470 0.041 0.000 0.300 597 S C -0.697 173.878 174.600 -0.042 0.000 1.129 597 S CA -0.359 57.798 58.200 -0.072 0.000 1.029 597 S CB 1.413 64.575 63.200 -0.065 0.000 1.007 597 S HN 0.202 nan 8.310 nan 0.000 0.484 598 A N 3.282 126.082 122.820 -0.032 0.000 2.414 598 A HA 0.815 5.160 4.320 0.041 0.000 0.306 598 A C 0.181 177.768 177.584 0.005 0.000 1.054 598 A CA -0.668 51.362 52.037 -0.012 0.000 0.724 598 A CB 1.347 20.341 19.000 -0.010 0.000 1.267 598 A HN 0.908 nan 8.150 nan 0.000 0.418 599 T N -0.611 113.954 114.554 0.020 0.000 2.862 599 T HA 0.814 5.189 4.350 0.041 0.000 0.276 599 T C 0.325 175.066 174.700 0.069 0.000 0.974 599 T CA -0.066 62.062 62.100 0.046 0.000 0.966 599 T CB 1.644 70.541 68.868 0.048 0.000 1.072 599 T HN 1.853 nan 8.240 nan 0.000 0.538 600 G N -0.394 108.474 108.800 0.115 0.000 2.698 600 G HA2 0.607 4.592 3.960 0.041 0.000 0.293 600 G HA3 0.607 4.592 3.960 0.041 0.000 0.293 600 G C -2.151 172.903 174.900 0.257 0.000 1.437 600 G CA -0.866 44.323 45.100 0.149 0.000 0.852 600 G HN 0.845 nan 8.290 nan 0.000 0.499 601 F N 0.677 120.670 119.950 0.072 0.000 2.672 601 F HA 0.710 5.261 4.527 0.040 0.000 0.311 601 F C -2.162 173.733 175.800 0.159 0.000 1.113 601 F CA -1.036 57.020 58.000 0.093 0.000 0.996 601 F CB 2.019 41.053 39.000 0.056 0.000 1.286 601 F HN 0.702 nan 8.300 nan 0.000 0.441 602 Y N 3.712 123.586 120.300 -0.710 0.000 2.544 602 Y HA 0.815 5.389 4.550 0.040 0.000 0.342 602 Y C -1.867 173.646 175.900 -0.645 0.000 1.062 602 Y CA -0.695 57.136 58.100 -0.448 0.000 1.023 602 Y CB 1.995 40.313 38.460 -0.237 0.000 1.308 602 Y HN 0.923 nan 8.280 nan 0.000 0.457 603 A N 3.158 125.343 122.820 -1.059 0.000 2.398 603 A HA 0.612 4.956 4.320 0.041 0.000 0.301 603 A C -1.027 175.955 177.584 -1.004 0.000 1.041 603 A CA -0.737 50.843 52.037 -0.762 0.000 0.711 603 A CB 0.935 19.768 19.000 -0.279 0.000 1.240 603 A HN 0.684 nan 8.150 nan 0.000 0.420 604 T N 5.316 119.501 114.554 -0.616 0.000 2.834 604 T HA 0.444 4.818 4.350 0.041 0.000 0.298 604 T C -1.840 172.760 174.700 -0.167 0.000 0.966 604 T CA -0.285 61.623 62.100 -0.320 0.000 1.141 604 T CB 0.375 69.251 68.868 0.013 0.000 0.905 604 T HN 0.628 nan 8.240 nan 0.000 0.535 605 P HA 0.363 nan 4.420 nan 0.000 0.293 605 P C 0.084 177.386 177.300 0.005 0.000 1.304 605 P CA -0.616 62.461 63.100 -0.037 0.000 0.767 605 P CB 0.625 32.318 31.700 -0.011 0.000 1.247 606 K N -2.682 117.725 120.400 0.010 0.000 3.495 606 K HA -0.166 4.179 4.320 0.041 0.000 0.315 606 K C 0.001 176.611 176.600 0.016 0.000 1.301 606 K CA 0.788 57.086 56.287 0.018 0.000 0.985 606 K CB -1.744 30.772 32.500 0.028 0.000 1.244 606 K HN 0.364 nan 8.250 nan 0.000 0.433 607 L N 0.756 121.988 121.223 0.015 0.000 2.305 607 L HA 0.427 4.792 4.340 0.041 0.000 0.281 607 L C 0.223 177.125 176.870 0.054 0.000 1.085 607 L CA -0.403 54.449 54.840 0.020 0.000 0.813 607 L CB 1.700 43.771 42.059 0.020 0.000 1.157 607 L HN 0.059 nan 8.230 nan 0.000 0.436 608 S N 3.899 119.651 115.700 0.088 0.000 2.596 608 S HA 0.559 5.054 4.470 0.041 0.000 0.305 608 S C -1.990 172.743 174.600 0.221 0.000 1.086 608 S CA -0.744 57.533 58.200 0.127 0.000 0.909 608 S CB 0.855 64.092 63.200 0.062 0.000 1.106 608 S HN 0.708 nan 8.310 nan 0.000 0.450 609 W N 3.954 125.203 121.300 -0.084 0.000 3.153 609 W HA 0.543 5.227 4.660 0.041 0.000 0.316 609 W C -2.454 174.009 176.519 -0.094 0.000 1.255 609 W CA -0.611 56.669 57.345 -0.109 0.000 1.192 609 W CB 0.557 29.913 29.460 -0.174 0.000 1.400 609 W HN 0.612 nan 8.180 nan 0.000 0.568 610 D N 3.174 123.312 120.400 -0.435 0.000 2.461 610 D HA 0.231 4.896 4.640 0.041 0.000 0.240 610 D C 1.303 177.117 176.300 -0.809 0.000 1.094 610 D CA -0.281 53.370 54.000 -0.581 0.000 0.868 610 D CB 1.385 42.029 40.800 -0.260 0.000 1.062 610 D HN 0.543 nan 8.370 nan 0.000 0.530 611 R N 2.800 122.581 120.500 -1.198 0.000 2.134 611 R HA -0.180 4.185 4.340 0.041 0.000 0.248 611 R C 1.623 177.853 176.300 -0.117 0.000 1.143 611 R CA 1.421 57.023 56.100 -0.830 0.000 0.957 611 R CB 0.092 30.108 30.300 -0.472 0.000 0.867 611 R HN 0.477 nan 8.270 nan 0.000 0.441 612 L N -0.747 120.412 121.223 -0.107 0.000 2.240 612 L HA -0.059 4.306 4.340 0.041 0.000 0.211 612 L C 2.078 179.021 176.870 0.121 0.000 1.106 612 L CA 1.136 56.016 54.840 0.067 0.000 0.793 612 L CB -0.002 42.062 42.059 0.007 0.000 0.927 612 L HN 0.076 nan 8.230 nan 0.000 0.446 613 R N -0.424 120.061 120.500 -0.025 0.000 2.362 613 R HA 0.220 4.585 4.340 0.041 0.000 0.227 613 R C 0.782 176.910 176.300 -0.287 0.000 0.905 613 R CA 0.438 56.514 56.100 -0.041 0.000 1.067 613 R CB 0.571 30.846 30.300 -0.041 0.000 1.078 613 R HN 0.233 nan 8.270 nan 0.000 0.516 614 G N 1.831 110.288 108.800 -0.572 0.000 2.371 614 G HA2 -0.262 3.722 3.960 0.041 0.000 0.299 614 G HA3 -0.262 3.722 3.960 0.041 0.000 0.299 614 G C -0.472 174.138 174.900 -0.484 0.000 1.014 614 G CA 0.194 44.571 45.100 -1.204 0.000 1.097 614 G HN 0.180 nan 8.290 nan 0.000 0.512 615 Q N -0.855 118.851 119.800 -0.156 0.000 2.331 615 Q HA 0.726 5.090 4.340 0.041 0.000 0.272 615 Q C 0.408 176.475 176.000 0.112 0.000 1.062 615 Q CA 0.209 56.002 55.803 -0.017 0.000 0.806 615 Q CB 2.253 30.964 28.738 -0.044 0.000 1.312 615 Q HN 1.613 nan 8.270 nan 0.000 0.431 616 G N 1.425 110.307 108.800 0.137 0.000 2.302 616 G HA2 -0.027 3.958 3.960 0.041 0.000 0.264 616 G HA3 -0.027 3.958 3.960 0.041 0.000 0.264 616 G C -1.507 173.464 174.900 0.118 0.000 1.335 616 G CA -0.968 44.221 45.100 0.148 0.000 0.982 616 G HN 0.332 nan 8.290 nan 0.000 0.473 617 R N 1.627 122.178 120.500 0.085 0.000 2.287 617 R HA 0.439 4.804 4.340 0.041 0.000 0.316 617 R C -1.840 174.350 176.300 -0.183 0.000 1.050 617 R CA -1.774 54.314 56.100 -0.021 0.000 0.983 617 R CB 1.518 31.815 30.300 -0.005 0.000 1.140 617 R HN 0.276 nan 8.270 nan 0.000 0.528 618 P HA 0.055 nan 4.420 nan 0.000 0.245 618 P C -0.476 176.228 177.300 -0.994 0.000 1.203 618 P CA 0.493 62.913 63.100 -1.132 0.000 0.792 618 P CB 0.312 30.586 31.700 -2.376 0.000 0.997 619 F N -1.018 118.729 119.950 -0.338 0.000 2.532 619 F HA 0.296 4.847 4.527 0.041 0.000 0.321 619 F C 1.511 177.116 175.800 -0.325 0.000 1.089 619 F CA -1.219 56.531 58.000 -0.417 0.000 0.926 619 F CB 1.677 40.253 39.000 -0.706 0.000 1.168 619 F HN -0.338 nan 8.300 nan 0.000 0.459 620 L N 3.018 124.218 121.223 -0.039 0.000 2.044 620 L HA 0.023 4.387 4.340 0.041 0.000 0.205 620 L C -0.315 176.609 176.870 0.091 0.000 1.075 620 L CA 1.618 56.497 54.840 0.066 0.000 0.747 620 L CB -0.277 41.917 42.059 0.226 0.000 0.903 620 L HN 0.662 nan 8.230 nan 0.000 0.435 621 Y N -4.964 115.201 120.300 -0.225 0.000 2.705 621 Y HA 0.572 5.147 4.550 0.041 0.000 0.332 621 Y C -1.342 174.238 175.900 -0.533 0.000 1.221 621 Y CA -2.315 55.631 58.100 -0.258 0.000 1.059 621 Y CB 0.352 38.781 38.460 -0.052 0.000 1.298 621 Y HN -0.207 nan 8.280 nan 0.000 0.459 622 F N 1.334 121.302 119.950 0.030 0.000 2.495 622 F HA 0.809 5.361 4.527 0.042 0.000 0.327 622 F C 0.212 175.907 175.800 -0.174 0.000 1.103 622 F CA -0.942 56.892 58.000 -0.277 0.000 0.949 622 F CB 2.153 40.862 39.000 -0.486 0.000 1.142 622 F HN 0.788 nan 8.300 nan 0.000 0.457 623 A N 3.349 126.120 122.820 -0.082 0.000 2.309 623 A HA 0.709 5.054 4.320 0.041 0.000 0.298 623 A C -1.554 175.853 177.584 -0.295 0.000 1.165 623 A CA -0.266 51.762 52.037 -0.015 0.000 0.821 623 A CB 0.184 19.222 19.000 0.063 0.000 1.102 623 A HN 0.725 nan 8.150 nan 0.000 0.500 624 Y N 0.423 120.653 120.300 -0.117 0.000 2.630 624 Y HA 0.759 5.334 4.550 0.042 0.000 0.337 624 Y C 0.839 176.489 175.900 -0.417 0.000 1.051 624 Y CA 0.145 58.114 58.100 -0.219 0.000 1.121 624 Y CB 2.550 40.839 38.460 -0.285 0.000 1.299 624 Y HN 1.137 nan 8.280 nan 0.000 0.498 625 G N -0.464 108.276 108.800 -0.099 0.000 2.316 625 G HA2 0.601 4.586 3.960 0.041 0.000 0.296 625 G HA3 0.601 4.586 3.960 0.041 0.000 0.296 625 G C -2.262 172.662 174.900 0.041 0.000 1.399 625 G CA -0.170 44.896 45.100 -0.057 0.000 0.833 625 G HN 1.006 nan 8.290 nan 0.000 0.565 626 A N -1.248 121.619 122.820 0.078 0.000 2.589 626 A HA 1.076 5.420 4.320 0.041 0.000 0.296 626 A C -0.439 177.175 177.584 0.050 0.000 1.062 626 A CA 0.377 52.438 52.037 0.041 0.000 0.686 626 A CB 1.377 20.360 19.000 -0.029 0.000 1.282 626 A HN 2.576 nan 8.150 nan 0.000 0.404 627 A N 1.226 124.069 122.820 0.039 0.000 2.449 627 A HA 0.806 5.150 4.320 0.041 0.000 0.302 627 A C -1.123 176.443 177.584 -0.030 0.000 1.048 627 A CA -0.357 51.687 52.037 0.012 0.000 0.708 627 A CB 0.893 19.933 19.000 0.068 0.000 1.274 627 A HN 0.847 nan 8.150 nan 0.000 0.410 628 I N 1.673 122.198 120.570 -0.075 0.000 2.378 628 I HA 0.420 4.615 4.170 0.041 0.000 0.291 628 I C -0.188 175.910 176.117 -0.030 0.000 0.992 628 I CA -0.153 61.094 61.300 -0.089 0.000 1.154 628 I CB 2.296 40.184 38.000 -0.187 0.000 1.315 628 I HN 0.579 nan 8.210 nan 0.000 0.448 629 T N 5.204 119.772 114.554 0.024 0.000 2.829 629 T HA 0.323 4.698 4.350 0.041 0.000 0.280 629 T C -0.632 174.087 174.700 0.031 0.000 0.999 629 T CA -0.591 61.529 62.100 0.032 0.000 0.983 629 T CB 1.677 70.609 68.868 0.105 0.000 0.968 629 T HN 0.569 nan 8.240 nan 0.000 0.446 630 E N 2.460 122.658 120.200 -0.004 0.000 2.187 630 E HA 0.610 4.985 4.350 0.041 0.000 0.268 630 E C -0.792 175.773 176.600 -0.058 0.000 0.896 630 E CA -0.825 55.560 56.400 -0.024 0.000 0.766 630 E CB 1.190 30.867 29.700 -0.037 0.000 1.142 630 E HN 0.492 nan 8.360 nan 0.000 0.408 631 V N 1.162 121.035 119.914 -0.069 0.000 3.126 631 V HA 0.828 4.973 4.120 0.041 0.000 0.314 631 V C -0.723 175.306 176.094 -0.108 0.000 1.138 631 V CA -0.731 61.520 62.300 -0.082 0.000 1.034 631 V CB 1.682 33.463 31.823 -0.070 0.000 1.075 631 V HN 0.466 nan 8.190 nan 0.000 0.442 632 V N 1.253 121.109 119.914 -0.097 0.000 2.789 632 V HA 0.773 4.918 4.120 0.041 0.000 0.311 632 V C -0.329 175.741 176.094 -0.039 0.000 1.073 632 V CA -0.547 61.705 62.300 -0.080 0.000 0.921 632 V CB 1.273 33.042 31.823 -0.090 0.000 1.009 632 V HN 1.281 nan 8.190 nan 0.000 0.426 633 I N -0.745 119.820 120.570 -0.008 0.000 2.608 633 I HA 0.746 4.941 4.170 0.041 0.000 0.295 633 I C -1.029 175.098 176.117 0.017 0.000 1.049 633 I CA -0.500 60.793 61.300 -0.012 0.000 1.063 633 I CB 2.177 40.154 38.000 -0.039 0.000 1.248 633 I HN 0.606 nan 8.210 nan 0.000 0.424 634 D N 4.662 125.064 120.400 0.004 0.000 2.325 634 D HA 0.227 4.891 4.640 0.041 0.000 0.251 634 D C 0.878 177.174 176.300 -0.006 0.000 1.196 634 D CA -0.168 53.837 54.000 0.009 0.000 0.866 634 D CB 1.197 41.998 40.800 0.001 0.000 1.101 634 D HN 0.516 nan 8.370 nan 0.000 0.476 635 R N 2.964 123.463 120.500 -0.002 0.000 2.189 635 R HA -0.015 4.350 4.340 0.041 0.000 0.223 635 R C 1.558 177.847 176.300 -0.018 0.000 1.092 635 R CA 0.538 56.629 56.100 -0.014 0.000 0.989 635 R CB 0.075 30.367 30.300 -0.013 0.000 0.876 635 R HN 0.541 nan 8.270 nan 0.000 0.457 636 L N -0.522 120.692 121.223 -0.015 0.000 2.162 636 L HA -0.071 4.294 4.340 0.041 0.000 0.205 636 L C 2.267 179.127 176.870 -0.018 0.000 1.086 636 L CA 1.528 56.359 54.840 -0.016 0.000 0.778 636 L CB -0.029 42.023 42.059 -0.013 0.000 0.928 636 L HN 0.246 nan 8.230 nan 0.000 0.446 637 T N -6.096 108.447 114.554 -0.018 0.000 2.955 637 T HA 0.350 4.725 4.350 0.041 0.000 0.251 637 T C 1.393 176.078 174.700 -0.025 0.000 1.002 637 T CA 0.528 62.616 62.100 -0.020 0.000 0.970 637 T CB 1.177 70.034 68.868 -0.017 0.000 1.091 637 T HN 0.332 nan 8.240 nan 0.000 0.495 638 G N 1.647 110.430 108.800 -0.028 0.000 2.254 638 G HA2 -0.219 3.765 3.960 0.041 0.000 0.225 638 G HA3 -0.219 3.765 3.960 0.041 0.000 0.225 638 G C -0.109 174.769 174.900 -0.038 0.000 1.003 638 G CA -0.095 44.983 45.100 -0.036 0.000 0.622 638 G HN 0.677 nan 8.290 nan 0.000 0.507 639 E N 1.232 121.413 120.200 -0.031 0.000 2.604 639 E HA 0.312 4.687 4.350 0.041 0.000 0.267 639 E C 0.494 177.075 176.600 -0.032 0.000 0.970 639 E CA 1.262 57.643 56.400 -0.031 0.000 0.956 639 E CB 0.109 29.795 29.700 -0.023 0.000 0.939 639 E HN 0.847 nan 8.360 nan 0.000 0.465 640 N N 1.224 119.901 118.700 -0.039 0.000 2.927 640 N HA 0.509 5.274 4.740 0.041 0.000 0.248 640 N C -1.481 174.000 175.510 -0.048 0.000 1.443 640 N CA -1.110 51.914 53.050 -0.044 0.000 0.870 640 N CB 1.664 40.117 38.487 -0.056 0.000 1.444 640 N HN 0.440 nan 8.380 nan 0.000 0.519 641 R N 0.282 120.750 120.500 -0.054 0.000 2.643 641 R HA 0.486 4.851 4.340 0.041 0.000 0.269 641 R C -1.649 174.611 176.300 -0.067 0.000 1.037 641 R CA -0.780 55.286 56.100 -0.057 0.000 0.894 641 R CB 1.343 31.615 30.300 -0.047 0.000 1.238 641 R HN 0.691 nan 8.270 nan 0.000 0.459 642 I N 5.783 126.310 120.570 -0.071 0.000 2.363 642 I HA 0.062 4.257 4.170 0.041 0.000 0.292 642 I C 1.102 177.168 176.117 -0.085 0.000 1.075 642 I CA -0.166 61.089 61.300 -0.075 0.000 1.333 642 I CB 1.133 39.090 38.000 -0.072 0.000 1.415 642 I HN 0.643 nan 8.210 nan 0.000 0.502 643 L N 5.668 126.839 121.223 -0.087 0.000 2.127 643 L HA 0.155 4.520 4.340 0.041 0.000 0.203 643 L C 1.104 177.922 176.870 -0.086 0.000 1.080 643 L CA 0.792 55.578 54.840 -0.089 0.000 0.768 643 L CB -0.070 41.921 42.059 -0.113 0.000 0.924 643 L HN 0.550 nan 8.230 nan 0.000 0.444 644 R N -0.869 119.577 120.500 -0.089 0.000 2.536 644 R HA 0.347 4.712 4.340 0.041 0.000 0.269 644 R C -1.624 174.610 176.300 -0.110 0.000 1.113 644 R CA -0.259 55.789 56.100 -0.086 0.000 0.948 644 R CB 1.917 32.186 30.300 -0.051 0.000 1.237 644 R HN -0.198 nan 8.270 nan 0.000 0.441 645 T N 2.470 116.921 114.554 -0.172 0.000 2.841 645 T HA 0.422 4.797 4.350 0.041 0.000 0.283 645 T C -1.392 173.253 174.700 -0.092 0.000 1.000 645 T CA -0.764 61.194 62.100 -0.238 0.000 0.977 645 T CB 1.451 69.919 68.868 -0.666 0.000 0.979 645 T HN 0.412 nan 8.240 nan 0.000 0.446 646 D N 2.626 122.978 120.400 -0.080 0.000 2.593 646 D HA 0.458 5.122 4.640 0.041 0.000 0.251 646 D C -0.715 175.561 176.300 -0.039 0.000 1.140 646 D CA -0.276 53.710 54.000 -0.022 0.000 0.855 646 D CB 2.264 43.059 40.800 -0.009 0.000 1.267 646 D HN 0.366 nan 8.370 nan 0.000 0.532 647 I N 2.288 122.852 120.570 -0.009 0.000 2.436 647 I HA 0.258 4.453 4.170 0.041 0.000 0.289 647 I C -0.888 175.262 176.117 0.056 0.000 1.010 647 I CA -0.926 60.381 61.300 0.012 0.000 1.098 647 I CB 2.230 40.234 38.000 0.006 0.000 1.266 647 I HN 0.078 nan 8.210 nan 0.000 0.434 648 L N 7.303 128.574 121.223 0.081 0.000 2.325 648 L HA 0.553 4.917 4.340 0.041 0.000 0.281 648 L C -1.134 175.838 176.870 0.170 0.000 1.004 648 L CA -0.032 54.886 54.840 0.130 0.000 0.823 648 L CB 0.933 43.069 42.059 0.129 0.000 1.236 648 L HN 0.559 nan 8.230 nan 0.000 0.415 649 H N 1.761 120.891 119.070 0.101 0.000 2.768 649 H HA 0.482 5.062 4.556 0.041 0.000 0.371 649 H C -1.525 173.904 175.328 0.168 0.000 1.151 649 H CA -0.681 55.422 56.048 0.093 0.000 1.165 649 H CB 1.660 31.464 29.762 0.069 0.000 1.722 649 H HN 0.696 nan 8.280 nan 0.000 0.543 650 D N 2.778 122.952 120.400 -0.377 0.000 2.359 650 D HA 0.378 5.043 4.640 0.041 0.000 0.230 650 D C -0.362 175.940 176.300 0.002 0.000 1.118 650 D CA -0.205 53.767 54.000 -0.046 0.000 0.844 650 D CB 0.969 41.737 40.800 -0.053 0.000 1.059 650 D HN 0.607 nan 8.370 nan 0.000 0.493 651 A N 3.421 126.338 122.820 0.162 0.000 2.535 651 A HA 0.645 4.989 4.320 0.041 0.000 0.273 651 A C 1.311 178.969 177.584 0.123 0.000 1.267 651 A CA 0.286 52.422 52.037 0.165 0.000 0.940 651 A CB -0.557 18.542 19.000 0.165 0.000 1.101 651 A HN 0.958 nan 8.150 nan 0.000 0.521 652 G N 0.274 109.154 108.800 0.135 0.000 2.596 652 G HA2 0.073 4.058 3.960 0.041 0.000 0.295 652 G HA3 0.073 4.058 3.960 0.041 0.000 0.295 652 G C 0.630 175.563 174.900 0.055 0.000 1.240 652 G CA 0.129 45.280 45.100 0.085 0.000 0.985 652 G HN 1.831 nan 8.290 nan 0.000 0.555 653 A N -0.038 122.797 122.820 0.024 0.000 2.798 653 A HA 0.683 5.027 4.320 0.041 0.000 0.316 653 A C 0.920 178.516 177.584 0.020 0.000 1.506 653 A CA 1.434 53.479 52.037 0.014 0.000 1.162 653 A CB -0.306 18.702 19.000 0.014 0.000 1.138 653 A HN 2.314 nan 8.150 nan 0.000 0.532 654 S N 1.799 117.513 115.700 0.023 0.000 2.643 654 S HA -0.027 4.468 4.470 0.041 0.000 0.310 654 S C 1.248 175.846 174.600 -0.003 0.000 1.253 654 S CA 0.018 58.231 58.200 0.022 0.000 1.047 654 S CB -0.093 63.121 63.200 0.022 0.000 0.767 654 S HN 0.578 nan 8.310 nan 0.000 0.498 655 L N 3.192 124.414 121.223 -0.002 0.000 2.291 655 L HA 0.139 4.504 4.340 0.041 0.000 0.214 655 L C 1.166 178.006 176.870 -0.051 0.000 1.120 655 L CA 0.460 55.280 54.840 -0.034 0.000 0.799 655 L CB -0.254 41.795 42.059 -0.017 0.000 0.925 655 L HN 0.689 nan 8.230 nan 0.000 0.446 656 N N -1.274 117.409 118.700 -0.027 0.000 3.261 656 N HA 0.087 4.851 4.740 0.041 0.000 0.227 656 N C -2.426 173.080 175.510 -0.008 0.000 1.338 656 N CA -0.745 52.290 53.050 -0.026 0.000 0.833 656 N CB 1.347 39.818 38.487 -0.026 0.000 1.606 656 N HN -0.299 nan 8.380 nan 0.000 0.649 657 P HA -0.041 nan 4.420 nan 0.000 0.216 657 P C 1.172 178.472 177.300 -0.000 0.000 1.150 657 P CA 1.376 64.476 63.100 -0.001 0.000 0.837 657 P CB 0.356 32.051 31.700 -0.009 0.000 0.786 658 A N -0.359 122.460 122.820 -0.003 0.000 1.902 658 A HA -0.167 4.178 4.320 0.041 0.000 0.217 658 A C 2.207 179.799 177.584 0.013 0.000 1.181 658 A CA 1.473 53.511 52.037 0.002 0.000 0.623 658 A CB -1.651 17.353 19.000 0.006 0.000 0.818 658 A HN 0.122 nan 8.150 nan 0.000 0.443 659 L N -0.844 120.391 121.223 0.020 0.000 2.217 659 L HA -0.140 4.225 4.340 0.041 0.000 0.211 659 L C 1.901 178.789 176.870 0.031 0.000 1.107 659 L CA 1.196 56.057 54.840 0.036 0.000 0.783 659 L CB -0.608 41.469 42.059 0.030 0.000 0.919 659 L HN 0.307 nan 8.230 nan 0.000 0.442 660 D N 0.184 120.598 120.400 0.023 0.000 2.110 660 D HA -0.111 4.554 4.640 0.041 0.000 0.202 660 D C 2.275 178.583 176.300 0.013 0.000 0.975 660 D CA 0.819 54.836 54.000 0.029 0.000 0.839 660 D CB 0.011 40.838 40.800 0.044 0.000 0.996 660 D HN 0.016 nan 8.370 nan 0.000 0.464 661 I N 1.285 121.854 120.570 -0.001 0.000 2.236 661 I HA -0.207 3.988 4.170 0.041 0.000 0.249 661 I C 2.400 178.484 176.117 -0.055 0.000 1.102 661 I CA 1.453 62.730 61.300 -0.039 0.000 1.365 661 I CB -1.509 36.459 38.000 -0.054 0.000 1.051 661 I HN 0.025 nan 8.210 nan 0.000 0.420 662 G N -0.170 108.618 108.800 -0.020 0.000 2.402 662 G HA2 -0.218 3.767 3.960 0.041 0.000 0.216 662 G HA3 -0.218 3.767 3.960 0.041 0.000 0.216 662 G C 1.518 176.434 174.900 0.026 0.000 1.162 662 G CA 0.147 45.247 45.100 -0.001 0.000 0.777 662 G HN 0.321 nan 8.290 nan 0.000 0.539 663 Q N 0.153 119.973 119.800 0.033 0.000 2.124 663 Q HA -0.012 4.353 4.340 0.041 0.000 0.202 663 Q C 2.686 178.704 176.000 0.031 0.000 0.977 663 Q CA 0.834 56.666 55.803 0.048 0.000 0.850 663 Q CB -0.206 28.553 28.738 0.035 0.000 0.901 663 Q HN 0.589 nan 8.270 nan 0.000 0.429 664 I N 0.423 120.983 120.570 -0.016 0.000 2.193 664 I HA -0.240 3.955 4.170 0.041 0.000 0.240 664 I C 2.178 178.326 176.117 0.051 0.000 1.084 664 I CA 0.945 62.218 61.300 -0.046 0.000 1.365 664 I CB -0.290 37.646 38.000 -0.106 0.000 1.064 664 I HN 0.188 nan 8.210 nan 0.000 0.410 665 E N 0.921 121.115 120.200 -0.010 0.000 2.086 665 E HA -0.235 4.140 4.350 0.041 0.000 0.200 665 E C 2.236 178.976 176.600 0.233 0.000 1.012 665 E CA 1.503 57.919 56.400 0.027 0.000 0.812 665 E CB -0.397 29.172 29.700 -0.217 0.000 0.743 665 E HN 0.628 nan 8.360 nan 0.000 0.453 666 G N 0.810 109.696 108.800 0.143 0.000 2.404 666 G HA2 -0.208 3.776 3.960 0.041 0.000 0.215 666 G HA3 -0.208 3.776 3.960 0.041 0.000 0.215 666 G C 1.691 176.690 174.900 0.166 0.000 1.174 666 G CA 0.849 46.044 45.100 0.159 0.000 0.780 666 G HN 0.361 nan 8.290 nan 0.000 0.537 667 A N 0.082 123.001 122.820 0.164 0.000 1.908 667 A HA -0.087 4.258 4.320 0.041 0.000 0.218 667 A C 2.216 179.831 177.584 0.052 0.000 1.181 667 A CA 1.823 53.961 52.037 0.167 0.000 0.627 667 A CB -0.790 18.293 19.000 0.137 0.000 0.818 667 A HN 0.518 nan 8.150 nan 0.000 0.445 668 Y N 0.500 120.803 120.300 0.004 0.000 2.128 668 Y HA -0.194 4.381 4.550 0.041 0.000 0.284 668 Y C 2.282 178.128 175.900 -0.091 0.000 1.154 668 Y CA 2.105 60.182 58.100 -0.039 0.000 1.149 668 Y CB -0.347 38.166 38.460 0.089 0.000 0.976 668 Y HN 0.055 nan 8.280 nan 0.000 0.505 669 V N 0.592 120.511 119.914 0.009 0.000 2.626 669 V HA -0.292 3.853 4.120 0.041 0.000 0.252 669 V C 2.293 178.271 176.094 -0.194 0.000 1.067 669 V CA 2.238 64.473 62.300 -0.108 0.000 1.081 669 V CB -0.546 31.312 31.823 0.058 0.000 0.686 669 V HN 0.506 nan 8.190 nan 0.000 0.468 670 Q N -0.425 119.285 119.800 -0.150 0.000 2.163 670 Q HA -0.040 4.325 4.340 0.041 0.000 0.198 670 Q C 2.267 178.062 176.000 -0.342 0.000 0.954 670 Q CA 1.280 57.030 55.803 -0.090 0.000 0.851 670 Q CB -0.191 28.628 28.738 0.134 0.000 0.928 670 Q HN 0.654 nan 8.270 nan 0.000 0.459 671 G N 0.201 108.458 108.800 -0.905 0.000 2.402 671 G HA2 -0.206 3.779 3.960 0.041 0.000 0.216 671 G HA3 -0.206 3.779 3.960 0.041 0.000 0.216 671 G C 1.403 175.956 174.900 -0.578 0.000 1.162 671 G CA 0.746 44.960 45.100 -1.476 0.000 0.777 671 G HN 0.433 nan 8.290 nan 0.000 0.539 672 A N 0.979 123.443 122.820 -0.595 0.000 1.902 672 A HA 0.164 4.509 4.320 0.041 0.000 0.217 672 A C 2.701 180.133 177.584 -0.252 0.000 1.181 672 A CA 2.050 53.818 52.037 -0.449 0.000 0.623 672 A CB -1.088 17.525 19.000 -0.644 0.000 0.818 672 A HN 0.505 nan 8.150 nan 0.000 0.443 673 G N -1.311 107.360 108.800 -0.215 0.000 2.446 673 G HA2 -0.326 3.658 3.960 0.041 0.000 0.217 673 G HA3 -0.326 3.658 3.960 0.041 0.000 0.217 673 G C 1.349 176.227 174.900 -0.037 0.000 1.168 673 G CA 1.205 46.233 45.100 -0.121 0.000 0.771 673 G HN 0.699 nan 8.290 nan 0.000 0.551 674 W N 1.221 122.396 121.300 -0.207 0.000 2.325 674 W HA -0.031 4.654 4.660 0.042 0.000 0.299 674 W C 1.769 178.201 176.519 -0.146 0.000 1.215 674 W CA 1.246 58.500 57.345 -0.152 0.000 1.244 674 W CB -0.295 29.091 29.460 -0.123 0.000 1.140 674 W HN 0.143 nan 8.180 nan 0.000 0.523 675 L N 0.469 121.531 121.223 -0.268 0.000 2.667 675 L HA 0.152 4.517 4.340 0.041 0.000 0.232 675 L C 1.832 178.618 176.870 -0.141 0.000 1.138 675 L CA 0.862 55.455 54.840 -0.412 0.000 0.921 675 L CB -0.552 41.252 42.059 -0.424 0.000 1.180 675 L HN 0.061 nan 8.230 nan 0.000 0.487 676 T N -5.809 108.670 114.554 -0.126 0.000 3.426 676 T HA -0.028 4.347 4.350 0.041 0.000 0.195 676 T C 1.529 176.162 174.700 -0.112 0.000 0.963 676 T CA 0.745 62.791 62.100 -0.090 0.000 1.154 676 T CB -0.231 68.581 68.868 -0.094 0.000 1.377 676 T HN 0.054 nan 8.240 nan 0.000 0.342 677 T N -0.070 114.400 114.554 -0.140 0.000 3.044 677 T HA 0.287 4.662 4.350 0.041 0.000 0.250 677 T C 0.396 174.939 174.700 -0.261 0.000 1.081 677 T CA -0.196 61.800 62.100 -0.173 0.000 1.040 677 T CB -0.404 68.362 68.868 -0.171 0.000 0.962 677 T HN 0.528 nan 8.240 nan 0.000 0.506 678 E N 1.998 122.037 120.200 -0.267 0.000 2.105 678 E HA 0.358 4.733 4.350 0.041 0.000 0.285 678 E C -0.522 175.950 176.600 -0.215 0.000 1.055 678 E CA -0.154 55.992 56.400 -0.424 0.000 0.843 678 E CB 0.882 30.441 29.700 -0.236 0.000 1.067 678 E HN 0.563 nan 8.360 nan 0.000 0.398 679 E N 4.371 124.430 120.200 -0.235 0.000 2.263 679 E HA 0.282 4.657 4.350 0.041 0.000 0.268 679 E C -1.339 175.298 176.600 0.061 0.000 0.884 679 E CA -0.617 55.758 56.400 -0.041 0.000 0.766 679 E CB 1.136 30.797 29.700 -0.066 0.000 1.196 679 E HN 0.377 nan 8.360 nan 0.000 0.416 680 L N 3.881 125.147 121.223 0.071 0.000 2.307 680 L HA 0.545 4.910 4.340 0.041 0.000 0.282 680 L C -0.815 175.926 176.870 -0.214 0.000 1.051 680 L CA -0.893 53.883 54.840 -0.106 0.000 0.804 680 L CB 1.631 43.569 42.059 -0.202 0.000 1.197 680 L HN 0.360 nan 8.230 nan 0.000 0.431 681 V N 1.778 121.488 119.914 -0.339 0.000 2.577 681 V HA 0.428 4.573 4.120 0.041 0.000 0.303 681 V C -0.809 175.121 176.094 -0.274 0.000 1.042 681 V CA -0.689 61.507 62.300 -0.172 0.000 0.872 681 V CB 1.991 33.790 31.823 -0.039 0.000 0.998 681 V HN 0.611 nan 8.190 nan 0.000 0.423 682 W N 2.602 123.937 121.300 0.059 0.000 2.570 682 W HA 0.451 5.135 4.660 0.041 0.000 0.337 682 W C -0.076 176.462 176.519 0.033 0.000 1.067 682 W CA -0.533 56.839 57.345 0.044 0.000 1.229 682 W CB 2.163 31.646 29.460 0.038 0.000 1.355 682 W HN 0.767 nan 8.180 nan 0.000 0.555 683 D N -0.158 120.368 120.400 0.211 0.000 2.447 683 D HA -0.059 4.606 4.640 0.041 0.000 0.265 683 D C 1.723 178.066 176.300 0.071 0.000 1.250 683 D CA 0.128 54.194 54.000 0.111 0.000 1.046 683 D CB -0.094 40.690 40.800 -0.027 0.000 1.095 683 D HN 0.504 nan 8.370 nan 0.000 0.555 684 H N -1.068 118.053 119.070 0.085 0.000 2.426 684 H HA -0.132 4.449 4.556 0.042 0.000 0.298 684 H C 1.499 176.852 175.328 0.041 0.000 1.107 684 H CA 1.322 57.403 56.048 0.055 0.000 1.298 684 H CB -1.148 28.635 29.762 0.037 0.000 1.377 684 H HN 0.328 nan 8.280 nan 0.000 0.519 685 C N 0.506 119.625 119.300 -0.302 0.000 2.539 685 C HA 0.311 4.796 4.460 0.041 0.000 0.268 685 C C 2.098 177.048 174.990 -0.067 0.000 1.395 685 C CA 0.634 59.555 59.018 -0.161 0.000 1.757 685 C CB -0.683 26.920 27.740 -0.229 0.000 1.851 685 C HN 0.944 nan 8.230 nan 0.000 0.545 686 G N 0.766 109.564 108.800 -0.005 0.000 2.141 686 G HA2 -0.232 3.753 3.960 0.041 0.000 0.242 686 G HA3 -0.232 3.753 3.960 0.041 0.000 0.242 686 G C 0.089 175.125 174.900 0.227 0.000 0.982 686 G CA -0.315 44.833 45.100 0.080 0.000 0.662 686 G HN 0.589 nan 8.290 nan 0.000 0.527 687 R N -0.557 120.022 120.500 0.131 0.000 2.543 687 R HA 0.436 4.800 4.340 0.041 0.000 0.277 687 R C 0.355 176.783 176.300 0.213 0.000 1.074 687 R CA -0.498 55.681 56.100 0.132 0.000 1.076 687 R CB 0.765 31.072 30.300 0.012 0.000 0.993 687 R HN 0.268 nan 8.270 nan 0.000 0.459 688 L N 3.806 125.113 121.223 0.140 0.000 2.278 688 L HA 0.083 4.448 4.340 0.041 0.000 0.287 688 L C 0.763 177.653 176.870 0.032 0.000 1.072 688 L CA 0.065 54.844 54.840 -0.102 0.000 0.819 688 L CB 0.982 42.952 42.059 -0.148 0.000 1.176 688 L HN 0.660 nan 8.230 nan 0.000 0.435 689 M N 1.931 121.505 119.600 -0.043 0.000 2.349 689 M HA 0.042 4.547 4.480 0.041 0.000 0.266 689 M C 1.045 177.306 176.300 -0.064 0.000 1.076 689 M CA 0.837 56.146 55.300 0.015 0.000 1.126 689 M CB -1.302 31.293 32.600 -0.007 0.000 1.392 689 M HN 0.704 nan 8.290 nan 0.000 0.440 690 T N -0.832 113.656 114.554 -0.110 0.000 3.400 690 T HA 0.263 4.637 4.350 0.041 0.000 0.364 690 T C 0.496 175.157 174.700 -0.066 0.000 1.636 690 T CA -0.613 61.428 62.100 -0.100 0.000 1.211 690 T CB -0.773 68.089 68.868 -0.009 0.000 1.180 690 T HN 0.508 nan 8.240 nan 0.000 0.730 691 H N 0.677 119.736 119.070 -0.018 0.000 2.581 691 H HA 0.668 5.248 4.556 0.041 0.000 0.275 691 H C -0.029 175.322 175.328 0.037 0.000 1.126 691 H CA -0.729 55.308 56.048 -0.019 0.000 1.097 691 H CB 0.073 29.816 29.762 -0.031 0.000 1.626 691 H HN 0.653 nan 8.280 nan 0.000 0.565 692 A N 1.811 124.627 122.820 -0.005 0.000 2.606 692 A HA 0.436 4.781 4.320 0.041 0.000 0.293 692 A C -2.148 175.554 177.584 0.196 0.000 1.082 692 A CA -1.435 50.669 52.037 0.112 0.000 0.685 692 A CB 1.833 20.855 19.000 0.037 0.000 1.284 692 A HN -0.060 nan 8.150 nan 0.000 0.408 693 P HA -0.168 nan 4.420 nan 0.000 0.219 693 P C 1.582 178.909 177.300 0.045 0.000 1.146 693 P CA 1.994 65.194 63.100 0.165 0.000 0.808 693 P CB 0.145 31.970 31.700 0.209 0.000 0.779 694 S N -0.074 115.653 115.700 0.046 0.000 2.387 694 S HA -0.157 4.338 4.470 0.041 0.000 0.230 694 S C 1.697 176.282 174.600 -0.026 0.000 1.035 694 S CA 2.474 60.675 58.200 0.001 0.000 1.014 694 S CB -0.978 62.219 63.200 -0.005 0.000 0.836 694 S HN 0.411 nan 8.310 nan 0.000 0.466 695 T N -3.500 111.039 114.554 -0.024 0.000 2.975 695 T HA 0.273 4.648 4.350 0.041 0.000 0.261 695 T C -0.053 174.647 174.700 0.000 0.000 0.984 695 T CA -0.418 61.657 62.100 -0.042 0.000 0.911 695 T CB -0.181 68.631 68.868 -0.092 0.000 1.127 695 T HN 0.358 nan 8.240 nan 0.000 0.514 696 Y N 2.284 122.537 120.300 -0.078 0.000 2.369 696 Y HA 0.628 5.203 4.550 0.042 0.000 0.337 696 Y C -0.903 174.919 175.900 -0.130 0.000 0.961 696 Y CA -1.292 56.764 58.100 -0.074 0.000 1.186 696 Y CB 1.016 39.473 38.460 -0.005 0.000 1.139 696 Y HN -0.221 nan 8.280 nan 0.000 0.494 697 K N 8.129 128.203 120.400 -0.544 0.000 2.290 697 K HA 0.268 4.613 4.320 0.041 0.000 0.250 697 K C -0.423 175.917 176.600 -0.435 0.000 1.092 697 K CA -0.335 55.718 56.287 -0.390 0.000 1.006 697 K CB -0.497 31.840 32.500 -0.271 0.000 1.549 697 K HN 0.750 nan 8.250 nan 0.000 0.436 698 I N -1.163 119.183 120.570 -0.375 0.000 2.823 698 I HA 0.421 4.616 4.170 0.041 0.000 0.290 698 I C -1.870 174.134 176.117 -0.188 0.000 1.091 698 I CA -2.246 58.899 61.300 -0.257 0.000 1.365 698 I CB 0.420 38.281 38.000 -0.231 0.000 1.427 698 I HN 0.226 nan 8.210 nan 0.000 0.583 699 P HA 0.126 nan 4.420 nan 0.000 0.264 699 P C -0.732 176.521 177.300 -0.078 0.000 1.183 699 P CA 0.105 63.141 63.100 -0.107 0.000 0.763 699 P CB 0.634 32.276 31.700 -0.097 0.000 0.807 700 A N 2.578 125.367 122.820 -0.051 0.000 2.261 700 A HA 0.406 4.751 4.320 0.041 0.000 0.323 700 A C 0.931 178.550 177.584 0.057 0.000 1.107 700 A CA -0.573 51.470 52.037 0.009 0.000 0.883 700 A CB -0.083 18.926 19.000 0.015 0.000 1.251 700 A HN 0.535 nan 8.150 nan 0.000 0.502 701 F N 1.216 121.159 119.950 -0.012 0.000 2.063 701 F HA -0.309 4.242 4.527 0.040 0.000 0.298 701 F C 2.608 178.412 175.800 0.007 0.000 1.105 701 F CA 3.168 61.173 58.000 0.007 0.000 1.215 701 F CB 0.017 39.023 39.000 0.010 0.000 0.972 701 F HN 0.517 nan 8.300 nan 0.000 0.483 702 S N -1.161 114.689 115.700 0.251 0.000 2.522 702 S HA -0.096 4.399 4.470 0.041 0.000 0.227 702 S C 1.342 175.956 174.600 0.023 0.000 0.986 702 S CA 0.806 59.091 58.200 0.142 0.000 0.929 702 S CB -0.451 62.827 63.200 0.131 0.000 0.769 702 S HN 0.390 nan 8.310 nan 0.000 0.529 703 D N 2.464 122.857 120.400 -0.011 0.000 2.310 703 D HA -0.041 4.624 4.640 0.041 0.000 0.212 703 D C 1.025 177.275 176.300 -0.084 0.000 0.965 703 D CA 0.450 54.419 54.000 -0.053 0.000 0.879 703 D CB -0.294 40.465 40.800 -0.068 0.000 0.921 703 D HN 0.721 nan 8.370 nan 0.000 0.510 704 R N 1.245 121.686 120.500 -0.099 0.000 2.679 704 R HA 0.236 4.600 4.340 0.041 0.000 0.268 704 R C -2.548 173.660 176.300 -0.153 0.000 1.044 704 R CA -1.159 54.865 56.100 -0.126 0.000 1.105 704 R CB -0.744 29.490 30.300 -0.110 0.000 0.989 704 R HN -0.182 nan 8.270 nan 0.000 0.447 705 P HA -0.047 nan 4.420 nan 0.000 0.262 705 P C 0.052 177.273 177.300 -0.131 0.000 1.182 705 P CA -0.051 62.873 63.100 -0.293 0.000 0.761 705 P CB 0.541 31.852 31.700 -0.649 0.000 0.795 706 R N 2.872 123.328 120.500 -0.074 0.000 2.081 706 R HA -0.020 4.345 4.340 0.041 0.000 0.235 706 R C 0.780 177.087 176.300 0.013 0.000 1.131 706 R CA 1.276 57.365 56.100 -0.018 0.000 0.960 706 R CB -0.496 29.790 30.300 -0.023 0.000 0.856 706 R HN 0.502 nan 8.270 nan 0.000 0.436 707 I N 0.566 121.136 120.570 -0.000 0.000 2.362 707 I HA 0.248 4.443 4.170 0.041 0.000 0.289 707 I C -0.680 175.488 176.117 0.085 0.000 0.994 707 I CA -0.371 60.954 61.300 0.041 0.000 1.158 707 I CB 1.570 39.579 38.000 0.015 0.000 1.315 707 I HN -0.092 nan 8.210 nan 0.000 0.451 708 F N 6.663 126.577 119.950 -0.060 0.000 2.676 708 F HA 0.418 4.970 4.527 0.041 0.000 0.371 708 F C -0.597 175.154 175.800 -0.083 0.000 1.141 708 F CA -0.942 57.003 58.000 -0.092 0.000 1.133 708 F CB 0.751 39.701 39.000 -0.083 0.000 1.376 708 F HN 0.474 nan 8.300 nan 0.000 0.491 709 N N 5.291 124.118 118.700 0.212 0.000 2.457 709 N HA 0.319 5.084 4.740 0.041 0.000 0.250 709 N C -0.948 174.561 175.510 -0.002 0.000 0.982 709 N CA -0.211 52.865 53.050 0.043 0.000 0.941 709 N CB 2.543 41.053 38.487 0.038 0.000 1.120 709 N HN 0.173 nan 8.380 nan 0.000 0.505 710 V N 1.114 120.964 119.914 -0.105 0.000 2.459 710 V HA 0.815 4.960 4.120 0.041 0.000 0.295 710 V C 0.006 176.079 176.094 -0.036 0.000 1.029 710 V CA -0.773 61.472 62.300 -0.091 0.000 0.874 710 V CB 1.383 33.086 31.823 -0.200 0.000 0.985 710 V HN 0.739 nan 8.190 nan 0.000 0.438 711 A N 4.984 127.817 122.820 0.021 0.000 2.454 711 A HA 0.914 5.259 4.320 0.041 0.000 0.302 711 A C -1.237 176.410 177.584 0.105 0.000 1.079 711 A CA -0.659 51.407 52.037 0.048 0.000 0.731 711 A CB 1.520 20.553 19.000 0.054 0.000 1.299 711 A HN 0.750 nan 8.150 nan 0.000 0.413 712 L N 1.663 122.947 121.223 0.102 0.000 2.295 712 L HA 0.323 4.688 4.340 0.041 0.000 0.285 712 L C -0.355 176.622 176.870 0.179 0.000 1.035 712 L CA -0.462 54.467 54.840 0.147 0.000 0.806 712 L CB 1.409 43.525 42.059 0.096 0.000 1.214 712 L HN 0.825 nan 8.230 nan 0.000 0.426 713 W N 4.778 126.089 121.300 0.019 0.000 2.485 713 W HA 0.074 4.759 4.660 0.041 0.000 0.315 713 W C -0.584 175.934 176.519 -0.001 0.000 1.304 713 W CA -0.182 57.162 57.345 -0.002 0.000 1.345 713 W CB 1.034 30.482 29.460 -0.021 0.000 1.368 713 W HN 0.519 nan 8.180 nan 0.000 0.497 714 D N 5.078 125.316 120.400 -0.271 0.000 2.499 714 D HA 0.098 4.763 4.640 0.041 0.000 0.225 714 D C -0.694 175.434 176.300 -0.287 0.000 1.124 714 D CA 0.294 54.179 54.000 -0.191 0.000 0.938 714 D CB 0.384 41.096 40.800 -0.147 0.000 1.014 714 D HN 0.434 nan 8.370 nan 0.000 0.517 715 Q N 3.668 123.363 119.800 -0.176 0.000 2.263 715 Q HA 0.362 4.727 4.340 0.041 0.000 0.262 715 Q C -2.740 173.260 176.000 0.001 0.000 0.984 715 Q CA -2.039 53.686 55.803 -0.130 0.000 0.813 715 Q CB 2.191 30.820 28.738 -0.182 0.000 1.299 715 Q HN 0.151 nan 8.270 nan 0.000 0.428 716 P HA -0.060 nan 4.420 nan 0.000 0.267 716 P C -0.589 176.715 177.300 0.007 0.000 1.200 716 P CA -0.056 63.043 63.100 -0.002 0.000 0.772 716 P CB 0.531 32.226 31.700 -0.009 0.000 0.855 717 N N 2.203 120.885 118.700 -0.030 0.000 2.492 717 N HA -0.013 4.752 4.740 0.041 0.000 0.262 717 N C 1.265 176.743 175.510 -0.053 0.000 1.202 717 N CA 0.153 53.160 53.050 -0.072 0.000 0.926 717 N CB 0.328 38.672 38.487 -0.238 0.000 1.078 717 N HN 0.222 nan 8.380 nan 0.000 0.454 718 R N 0.896 121.385 120.500 -0.018 0.000 2.120 718 R HA -0.047 4.318 4.340 0.041 0.000 0.234 718 R C 0.070 176.354 176.300 -0.026 0.000 1.123 718 R CA 0.927 57.025 56.100 -0.005 0.000 0.975 718 R CB 0.075 30.392 30.300 0.030 0.000 0.866 718 R HN 0.618 nan 8.270 nan 0.000 0.446 719 E N 1.055 121.216 120.200 -0.066 0.000 2.349 719 E HA 0.015 4.390 4.350 0.041 0.000 0.265 719 E C -0.431 176.113 176.600 -0.092 0.000 1.064 719 E CA 0.045 56.406 56.400 -0.065 0.000 0.886 719 E CB 0.900 30.558 29.700 -0.070 0.000 1.036 719 E HN 0.165 nan 8.360 nan 0.000 0.413 720 E N 0.994 121.164 120.200 -0.051 0.000 2.392 720 E HA 0.052 4.426 4.350 0.041 0.000 0.307 720 E C 0.057 176.602 176.600 -0.092 0.000 1.505 720 E CA -0.200 56.161 56.400 -0.065 0.000 1.716 720 E CB -0.199 29.479 29.700 -0.036 0.000 1.450 720 E HN 0.401 nan 8.360 nan 0.000 0.484 721 T N -1.690 112.781 114.554 -0.139 0.000 2.766 721 T HA 0.125 4.500 4.350 0.041 0.000 0.295 721 T C 0.602 175.185 174.700 -0.195 0.000 1.024 721 T CA -0.930 61.069 62.100 -0.169 0.000 1.018 721 T CB 0.876 69.610 68.868 -0.225 0.000 1.002 721 T HN 0.151 nan 8.240 nan 0.000 0.532 722 I N 2.394 122.832 120.570 -0.219 0.000 2.872 722 I HA 0.110 4.305 4.170 0.041 0.000 0.287 722 I C 0.132 176.217 176.117 -0.054 0.000 1.197 722 I CA -0.321 60.848 61.300 -0.217 0.000 1.390 722 I CB -1.593 36.314 38.000 -0.155 0.000 1.400 722 I HN 0.757 nan 8.210 nan 0.000 0.544 723 F N 6.543 126.435 119.950 -0.097 0.000 3.097 723 F HA -0.345 4.207 4.527 0.040 0.000 0.278 723 F C 1.178 176.933 175.800 -0.076 0.000 0.917 723 F CA 0.837 58.792 58.000 -0.075 0.000 0.962 723 F CB -1.162 37.799 39.000 -0.065 0.000 0.964 723 F HN 0.669 nan 8.300 nan 0.000 0.668 724 R N -2.062 118.437 120.500 -0.001 0.000 3.758 724 R HA -0.201 4.163 4.340 0.041 0.000 0.299 724 R C 0.581 176.859 176.300 -0.037 0.000 1.182 724 R CA 0.947 57.022 56.100 -0.042 0.000 0.809 724 R CB -2.602 27.689 30.300 -0.015 0.000 1.249 724 R HN 0.588 nan 8.270 nan 0.000 0.497 725 S N -0.133 115.557 115.700 -0.017 0.000 2.634 725 S HA 0.585 5.080 4.470 0.041 0.000 0.261 725 S C 0.329 174.889 174.600 -0.067 0.000 1.271 725 S CA -0.534 57.662 58.200 -0.007 0.000 0.985 725 S CB 2.149 65.366 63.200 0.028 0.000 0.968 725 S HN 0.212 nan 8.310 nan 0.000 0.568 726 K N -0.152 120.259 120.400 0.018 0.000 2.385 726 K HA 0.652 4.997 4.320 0.041 0.000 0.248 726 K C -0.454 176.264 176.600 0.198 0.000 0.955 726 K CA -0.909 55.448 56.287 0.117 0.000 0.816 726 K CB 2.120 34.747 32.500 0.211 0.000 1.250 726 K HN 0.816 nan 8.250 nan 0.000 0.434 727 A N 0.899 123.902 122.820 0.306 0.000 2.483 727 A HA 0.156 4.500 4.320 0.041 0.000 0.238 727 A C 0.493 178.148 177.584 0.118 0.000 1.070 727 A CA -0.017 52.113 52.037 0.155 0.000 0.770 727 A CB 0.501 19.558 19.000 0.095 0.000 1.008 727 A HN 0.503 nan 8.150 nan 0.000 0.497 728 V N 2.260 122.212 119.914 0.063 0.000 3.392 728 V HA 0.234 4.379 4.120 0.041 0.000 0.294 728 V C 1.543 177.628 176.094 -0.014 0.000 1.561 728 V CA 1.036 63.375 62.300 0.066 0.000 1.056 728 V CB 0.013 31.893 31.823 0.096 0.000 0.882 728 V HN 1.116 nan 8.190 nan 0.000 0.440 729 G N -0.006 108.767 108.800 -0.045 0.000 2.404 729 G HA2 -0.152 3.833 3.960 0.041 0.000 0.215 729 G HA3 -0.152 3.833 3.960 0.041 0.000 0.215 729 G C 1.200 176.042 174.900 -0.095 0.000 1.174 729 G CA 1.328 46.395 45.100 -0.054 0.000 0.780 729 G HN 0.572 nan 8.290 nan 0.000 0.537 730 E N -0.107 119.951 120.200 -0.237 0.000 2.290 730 E HA 0.037 4.412 4.350 0.041 0.000 0.199 730 E C -0.375 175.883 176.600 -0.571 0.000 0.912 730 E CA -0.188 55.975 56.400 -0.395 0.000 0.924 730 E CB 0.307 29.676 29.700 -0.551 0.000 0.901 730 E HN 0.236 nan 8.360 nan 0.000 0.487 731 P HA -0.142 nan 4.420 nan 0.000 0.215 731 P C -1.730 175.469 177.300 -0.169 0.000 1.157 731 P CA 1.919 64.709 63.100 -0.516 0.000 0.874 731 P CB -0.866 30.760 31.700 -0.123 0.000 0.790 732 P HA -0.107 nan 4.420 nan 0.000 0.230 732 P C 1.290 178.583 177.300 -0.012 0.000 1.158 732 P CA 0.662 63.636 63.100 -0.210 0.000 0.769 732 P CB -0.651 30.840 31.700 -0.348 0.000 0.807 733 F N 0.474 120.345 119.950 -0.132 0.000 2.192 733 F HA -0.199 4.353 4.527 0.042 0.000 0.301 733 F C 1.599 177.368 175.800 -0.051 0.000 1.079 733 F CA 1.373 59.316 58.000 -0.096 0.000 1.303 733 F CB -0.560 38.352 39.000 -0.145 0.000 1.024 733 F HN -0.221 nan 8.300 nan 0.000 0.494 734 L N -0.061 121.238 121.223 0.126 0.000 2.376 734 L HA -0.129 4.236 4.340 0.041 0.000 0.219 734 L C 2.029 178.948 176.870 0.083 0.000 1.133 734 L CA 0.950 55.867 54.840 0.128 0.000 0.816 734 L CB -0.726 41.432 42.059 0.165 0.000 0.933 734 L HN 0.171 nan 8.230 nan 0.000 0.449 735 L N -0.886 120.388 121.223 0.084 0.000 2.187 735 L HA -0.141 4.224 4.340 0.041 0.000 0.213 735 L C 2.459 179.419 176.870 0.149 0.000 1.100 735 L CA 1.099 56.038 54.840 0.164 0.000 0.765 735 L CB -1.214 40.993 42.059 0.247 0.000 0.904 735 L HN 0.392 nan 8.230 nan 0.000 0.437 736 G N 0.178 108.911 108.800 -0.111 0.000 2.527 736 G HA2 -0.192 3.793 3.960 0.041 0.000 0.219 736 G HA3 -0.192 3.793 3.960 0.041 0.000 0.219 736 G C 1.548 176.374 174.900 -0.124 0.000 1.117 736 G CA 0.357 45.236 45.100 -0.368 0.000 0.759 736 G HN 0.361 nan 8.290 nan 0.000 0.556 737 I N 1.695 122.273 120.570 0.015 0.000 2.493 737 I HA -0.182 4.013 4.170 0.041 0.000 0.254 737 I C 2.967 179.166 176.117 0.137 0.000 1.160 737 I CA 1.232 62.586 61.300 0.091 0.000 1.445 737 I CB -0.060 38.016 38.000 0.126 0.000 1.086 737 I HN 0.286 nan 8.210 nan 0.000 0.433 738 S N 1.096 116.877 115.700 0.134 0.000 2.423 738 S HA -0.103 4.392 4.470 0.041 0.000 0.231 738 S C 2.181 176.851 174.600 0.115 0.000 1.014 738 S CA 0.768 59.049 58.200 0.136 0.000 0.965 738 S CB -0.423 62.858 63.200 0.136 0.000 0.785 738 S HN 0.412 nan 8.310 nan 0.000 0.495 739 A N 1.519 124.395 122.820 0.094 0.000 1.873 739 A HA 0.083 4.428 4.320 0.041 0.000 0.215 739 A C 1.914 179.523 177.584 0.041 0.000 1.186 739 A CA 1.342 53.403 52.037 0.040 0.000 0.616 739 A CB -1.091 17.870 19.000 -0.065 0.000 0.823 739 A HN 0.530 nan 8.150 nan 0.000 0.442 740 F N 0.286 120.189 119.950 -0.079 0.000 2.102 740 F HA -0.160 4.392 4.527 0.041 0.000 0.298 740 F C 1.854 177.637 175.800 -0.028 0.000 1.105 740 F CA 1.518 59.468 58.000 -0.083 0.000 1.239 740 F CB -0.309 38.618 39.000 -0.120 0.000 0.991 740 F HN 0.134 nan 8.300 nan 0.000 0.474 741 L N 0.616 121.856 121.223 0.028 0.000 2.012 741 L HA -0.163 4.201 4.340 0.041 0.000 0.210 741 L C 2.774 179.643 176.870 -0.002 0.000 1.073 741 L CA 2.046 56.884 54.840 -0.003 0.000 0.748 741 L CB -1.942 40.177 42.059 0.100 0.000 0.891 741 L HN 0.249 nan 8.230 nan 0.000 0.431 742 A N -1.272 121.552 122.820 0.005 0.000 1.940 742 A HA -0.205 4.139 4.320 0.041 0.000 0.219 742 A C 2.257 179.794 177.584 -0.079 0.000 1.176 742 A CA 1.619 53.653 52.037 -0.006 0.000 0.631 742 A CB -0.737 18.271 19.000 0.013 0.000 0.814 742 A HN 0.337 nan 8.150 nan 0.000 0.446 743 L N -0.753 120.389 121.223 -0.136 0.000 2.141 743 L HA -0.103 4.262 4.340 0.041 0.000 0.209 743 L C 2.331 179.045 176.870 -0.259 0.000 1.094 743 L CA 2.507 57.232 54.840 -0.192 0.000 0.763 743 L CB -0.888 41.041 42.059 -0.217 0.000 0.908 743 L HN 0.730 nan 8.230 nan 0.000 0.437 744 H N -1.585 117.228 119.070 -0.428 0.000 2.389 744 H HA -0.166 4.414 4.556 0.041 0.000 0.299 744 H C 1.932 177.112 175.328 -0.246 0.000 1.081 744 H CA 2.006 57.803 56.048 -0.420 0.000 1.345 744 H CB -0.051 29.403 29.762 -0.513 0.000 1.393 744 H HN 0.452 nan 8.280 nan 0.000 0.520 745 D N -0.125 120.065 120.400 -0.350 0.000 2.149 745 D HA -0.056 4.609 4.640 0.041 0.000 0.201 745 D C 2.208 178.374 176.300 -0.223 0.000 0.972 745 D CA 1.236 55.065 54.000 -0.285 0.000 0.835 745 D CB -0.365 40.401 40.800 -0.057 0.000 0.966 745 D HN 0.506 nan 8.370 nan 0.000 0.476 746 A N -0.503 122.212 122.820 -0.174 0.000 2.015 746 A HA -0.113 4.232 4.320 0.041 0.000 0.219 746 A C 2.448 179.945 177.584 -0.145 0.000 1.163 746 A CA 1.147 53.111 52.037 -0.122 0.000 0.646 746 A CB -0.887 18.057 19.000 -0.093 0.000 0.806 746 A HN 0.491 nan 8.150 nan 0.000 0.448 747 C N -1.198 117.966 119.300 -0.226 0.000 2.476 747 C HA 0.102 4.587 4.460 0.041 0.000 0.278 747 C C 3.264 178.121 174.990 -0.222 0.000 1.274 747 C CA 0.680 59.562 59.018 -0.225 0.000 1.713 747 C CB -1.224 26.343 27.740 -0.289 0.000 2.039 747 C HN 0.718 nan 8.230 nan 0.000 0.484 748 A N 0.377 123.002 122.820 -0.326 0.000 2.084 748 A HA -0.026 4.319 4.320 0.041 0.000 0.221 748 A C 2.209 179.720 177.584 -0.121 0.000 1.161 748 A CA 2.029 53.923 52.037 -0.239 0.000 0.653 748 A CB -0.594 18.225 19.000 -0.301 0.000 0.802 748 A HN 0.635 nan 8.150 nan 0.000 0.457 749 A N -1.507 121.249 122.820 -0.106 0.000 2.067 749 A HA -0.010 4.335 4.320 0.041 0.000 0.217 749 A C 1.971 179.531 177.584 -0.041 0.000 1.156 749 A CA 1.294 53.298 52.037 -0.054 0.000 0.683 749 A CB -0.877 18.106 19.000 -0.028 0.000 0.808 749 A HN 0.632 nan 8.150 nan 0.000 0.455 750 C N -0.946 118.324 119.300 -0.049 0.000 2.562 750 C HA 0.498 4.983 4.460 0.041 0.000 0.266 750 C C 1.387 176.366 174.990 -0.018 0.000 1.382 750 C CA 0.070 59.069 59.018 -0.032 0.000 1.742 750 C CB -1.427 26.291 27.740 -0.037 0.000 1.812 750 C HN 0.760 nan 8.230 nan 0.000 0.559 751 G N 0.073 108.861 108.800 -0.019 0.000 2.368 751 G HA2 0.399 4.384 3.960 0.041 0.000 0.293 751 G HA3 0.399 4.384 3.960 0.041 0.000 0.293 751 G C -2.563 172.320 174.900 -0.029 0.000 1.467 751 G CA -0.249 44.849 45.100 -0.003 0.000 0.804 751 G HN -0.186 nan 8.290 nan 0.000 0.535 752 P HA 0.041 nan 4.420 nan 0.000 0.236 752 P C 0.123 177.312 177.300 -0.186 0.000 1.177 752 P CA 0.563 63.554 63.100 -0.182 0.000 0.773 752 P CB 0.069 31.590 31.700 -0.298 0.000 0.878 753 H N -0.828 118.279 119.070 0.063 0.000 2.505 753 H HA 0.071 4.652 4.556 0.041 0.000 0.355 753 H C -0.033 175.391 175.328 0.160 0.000 1.179 753 H CA -0.614 55.501 56.048 0.111 0.000 1.343 753 H CB 0.763 30.572 29.762 0.077 0.000 1.501 753 H HN 0.194 nan 8.280 nan 0.000 0.569 754 W N 4.766 126.170 121.300 0.173 0.000 2.446 754 W HA 0.075 4.760 4.660 0.041 0.000 0.316 754 W C -2.214 174.354 176.519 0.082 0.000 1.376 754 W CA -1.825 55.591 57.345 0.119 0.000 1.300 754 W CB 0.548 30.087 29.460 0.131 0.000 1.351 754 W HN 0.494 nan 8.180 nan 0.000 0.530 755 P HA -0.185 nan 4.420 nan 0.000 0.219 755 P C 0.081 177.026 177.300 -0.592 0.000 1.150 755 P CA 1.414 64.236 63.100 -0.462 0.000 0.814 755 P CB 0.042 31.468 31.700 -0.456 0.000 0.787 756 D N -1.323 118.345 120.400 -1.220 0.000 2.802 756 D HA -0.177 4.487 4.640 0.041 0.000 0.229 756 D C -0.496 175.623 176.300 -0.300 0.000 1.203 756 D CA 0.229 53.788 54.000 -0.735 0.000 0.712 756 D CB -1.119 39.548 40.800 -0.221 0.000 0.973 756 D HN 0.023 nan 8.370 nan 0.000 0.407 757 L N 1.497 122.530 121.223 -0.317 0.000 2.416 757 L HA 0.257 4.622 4.340 0.041 0.000 0.272 757 L C 0.306 177.269 176.870 0.155 0.000 1.161 757 L CA 0.314 55.082 54.840 -0.120 0.000 0.845 757 L CB 0.940 42.842 42.059 -0.262 0.000 1.119 757 L HN 0.070 nan 8.230 nan 0.000 0.464 758 Q N 3.541 123.469 119.800 0.213 0.000 2.215 758 Q HA 0.673 5.038 4.340 0.041 0.000 0.256 758 Q C -0.720 175.467 176.000 0.312 0.000 0.972 758 Q CA -0.545 55.439 55.803 0.301 0.000 0.889 758 Q CB 1.710 30.547 28.738 0.165 0.000 1.281 758 Q HN 0.816 nan 8.270 nan 0.000 0.456 759 A N 2.479 125.367 122.820 0.113 0.000 2.305 759 A HA 0.657 5.002 4.320 0.041 0.000 0.322 759 A C -2.232 175.277 177.584 -0.124 0.000 1.187 759 A CA -1.506 50.435 52.037 -0.161 0.000 0.825 759 A CB 0.339 18.997 19.000 -0.570 0.000 1.164 759 A HN 0.409 nan 8.150 nan 0.000 0.498 760 P HA 0.241 nan 4.420 nan 0.000 0.276 760 P C -0.091 177.204 177.300 -0.009 0.000 1.230 760 P CA 0.024 63.041 63.100 -0.139 0.000 0.776 760 P CB 1.184 32.806 31.700 -0.130 0.000 0.888 761 A N 3.167 126.034 122.820 0.078 0.000 3.052 761 A HA 0.208 4.553 4.320 0.041 0.000 0.266 761 A C 1.126 178.703 177.584 -0.011 0.000 1.855 761 A CA -0.067 52.018 52.037 0.080 0.000 1.473 761 A CB -1.623 17.446 19.000 0.114 0.000 1.038 761 A HN 0.634 nan 8.150 nan 0.000 0.619 762 T N -1.678 112.859 114.554 -0.029 0.000 2.748 762 T HA 0.249 4.623 4.350 0.041 0.000 0.304 762 T C -1.466 173.207 174.700 -0.045 0.000 1.041 762 T CA -0.936 61.134 62.100 -0.049 0.000 1.033 762 T CB 0.301 69.138 68.868 -0.052 0.000 0.995 762 T HN 0.197 nan 8.240 nan 0.000 0.536 763 P HA -0.050 nan 4.420 nan 0.000 0.218 763 P C 1.421 178.699 177.300 -0.038 0.000 1.148 763 P CA 1.051 64.124 63.100 -0.044 0.000 0.822 763 P CB 0.042 31.717 31.700 -0.042 0.000 0.784 764 E N -0.275 119.905 120.200 -0.033 0.000 2.051 764 E HA -0.175 4.199 4.350 0.041 0.000 0.192 764 E C 2.000 178.585 176.600 -0.024 0.000 0.991 764 E CA 1.235 57.620 56.400 -0.025 0.000 0.799 764 E CB -0.511 29.178 29.700 -0.019 0.000 0.748 764 E HN 0.063 nan 8.360 nan 0.000 0.449 765 A N 0.349 123.156 122.820 -0.021 0.000 1.877 765 A HA -0.153 4.191 4.320 0.041 0.000 0.216 765 A C 2.421 179.982 177.584 -0.039 0.000 1.186 765 A CA 1.557 53.585 52.037 -0.016 0.000 0.620 765 A CB -0.806 18.197 19.000 0.006 0.000 0.822 765 A HN 0.219 nan 8.150 nan 0.000 0.443 766 V N -0.181 119.702 119.914 -0.051 0.000 2.287 766 V HA -0.265 3.880 4.120 0.041 0.000 0.248 766 V C 2.509 178.560 176.094 -0.072 0.000 1.053 766 V CA 2.075 64.329 62.300 -0.077 0.000 1.027 766 V CB -0.904 30.872 31.823 -0.078 0.000 0.646 766 V HN 0.580 nan 8.190 nan 0.000 0.447 767 L N 0.895 122.086 121.223 -0.053 0.000 1.994 767 L HA -0.100 4.265 4.340 0.041 0.000 0.208 767 L C 2.524 179.366 176.870 -0.047 0.000 1.071 767 L CA 2.384 57.197 54.840 -0.046 0.000 0.745 767 L CB -1.120 40.918 42.059 -0.034 0.000 0.892 767 L HN 0.231 nan 8.230 nan 0.000 0.431 768 A N -0.489 122.307 122.820 -0.041 0.000 1.927 768 A HA -0.241 4.103 4.320 0.041 0.000 0.220 768 A C 2.425 179.974 177.584 -0.059 0.000 1.185 768 A CA 2.355 54.368 52.037 -0.039 0.000 0.639 768 A CB -1.265 17.720 19.000 -0.026 0.000 0.820 768 A HN 0.614 nan 8.150 nan 0.000 0.451 769 A N -0.985 121.786 122.820 -0.081 0.000 1.929 769 A HA 0.118 4.462 4.320 0.041 0.000 0.216 769 A C 2.204 179.715 177.584 -0.121 0.000 1.176 769 A CA 1.462 53.423 52.037 -0.125 0.000 0.628 769 A CB -0.765 18.134 19.000 -0.169 0.000 0.816 769 A HN 0.375 nan 8.150 nan 0.000 0.444 770 V N 0.683 120.539 119.914 -0.097 0.000 2.287 770 V HA -0.281 3.864 4.120 0.041 0.000 0.248 770 V C 2.644 178.706 176.094 -0.054 0.000 1.053 770 V CA 2.239 64.492 62.300 -0.079 0.000 1.027 770 V CB -0.794 30.991 31.823 -0.063 0.000 0.646 770 V HN 0.548 nan 8.190 nan 0.000 0.447 771 R N -0.379 120.092 120.500 -0.048 0.000 2.115 771 R HA -0.073 4.292 4.340 0.041 0.000 0.230 771 R C 2.432 178.709 176.300 -0.039 0.000 1.111 771 R CA 0.949 57.027 56.100 -0.036 0.000 0.976 771 R CB -0.374 29.906 30.300 -0.033 0.000 0.870 771 R HN 0.461 nan 8.270 nan 0.000 0.445 772 R N 0.794 121.262 120.500 -0.052 0.000 2.073 772 R HA -0.060 4.304 4.340 0.041 0.000 0.234 772 R C 2.389 178.683 176.300 -0.011 0.000 1.134 772 R CA 1.500 57.566 56.100 -0.056 0.000 0.952 772 R CB -0.326 29.931 30.300 -0.071 0.000 0.850 772 R HN 0.202 nan 8.270 nan 0.000 0.433 773 A N 1.030 123.846 122.820 -0.007 0.000 1.902 773 A HA -0.186 4.159 4.320 0.041 0.000 0.217 773 A C 1.679 179.343 177.584 0.133 0.000 1.181 773 A CA 1.430 53.503 52.037 0.060 0.000 0.623 773 A CB -0.332 18.648 19.000 -0.034 0.000 0.818 773 A HN 0.350 nan 8.150 nan 0.000 0.443 774 E N -1.391 118.847 120.200 0.063 0.000 2.511 774 E HA 0.192 4.567 4.350 0.041 0.000 0.196 774 E C 1.251 177.906 176.600 0.092 0.000 1.066 774 E CA 0.261 56.703 56.400 0.070 0.000 0.871 774 E CB -0.261 29.449 29.700 0.016 0.000 0.863 774 E HN 0.762 nan 8.360 nan 0.000 0.520 775 G N 2.056 110.890 108.800 0.056 0.000 2.189 775 G HA2 -0.363 3.622 3.960 0.041 0.000 0.267 775 G HA3 -0.363 3.622 3.960 0.041 0.000 0.267 775 G C 0.402 175.257 174.900 -0.075 0.000 0.975 775 G CA 0.419 45.457 45.100 -0.103 0.000 0.644 775 G HN 0.197 nan 8.290 nan 0.000 0.537 776 R N 0.486 120.964 120.500 -0.036 0.000 2.801 776 R HA 0.536 4.901 4.340 0.041 0.000 0.273 776 R C 1.290 177.564 176.300 -0.043 0.000 1.080 776 R CA 0.082 56.163 56.100 -0.032 0.000 1.197 776 R CB 0.185 30.472 30.300 -0.021 0.000 1.109 776 R HN 0.532 nan 8.270 nan 0.000 0.535 777 A N 0.000 122.801 122.820 -0.032 0.000 2.254 777 A HA 0.000 4.345 4.320 0.041 0.000 0.244 777 A CA 0.000 52.019 52.037 -0.029 0.000 0.836 777 A CB 0.000 18.988 19.000 -0.020 0.000 0.831 777 A HN 0.000 nan 8.150 nan 0.000 0.486