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 2w54_1_H 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 0.000 174.482 174.600 -0.197 0.000 1.055 2 S CA 0.000 58.110 58.200 -0.150 0.000 1.107 2 S CB 0.000 63.120 63.200 -0.133 0.000 0.593 3 V N 2.999 122.717 119.914 -0.327 0.000 2.644 3 V HA 0.422 4.542 4.120 -0.000 0.000 0.305 3 V C 1.787 177.726 176.094 -0.258 0.000 1.053 3 V CA 1.742 63.807 62.300 -0.391 0.000 1.186 3 V CB 0.226 31.543 31.823 -0.843 0.000 0.895 3 V HN 1.067 nan 8.190 nan 0.000 0.490 4 G N 3.733 112.428 108.800 -0.175 0.000 2.232 4 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.226 4 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.226 4 G C 0.264 175.116 174.900 -0.080 0.000 0.996 4 G CA -0.104 44.930 45.100 -0.110 0.000 0.626 4 G HN 0.584 nan 8.290 nan 0.000 0.509 5 K N 1.296 121.645 120.400 -0.085 0.000 2.326 5 K HA 0.363 4.683 4.320 -0.000 0.000 0.275 5 K C -2.389 174.183 176.600 -0.048 0.000 1.018 5 K CA -1.294 54.957 56.287 -0.061 0.000 0.962 5 K CB 1.254 33.717 32.500 -0.063 0.000 0.953 5 K HN -0.013 nan 8.250 nan 0.000 0.475 6 P HA 0.112 nan 4.420 nan 0.000 0.225 6 P C -0.511 176.779 177.300 -0.017 0.000 1.768 6 P CA 0.089 63.176 63.100 -0.022 0.000 0.943 6 P CB -0.027 31.663 31.700 -0.016 0.000 1.936 7 L N 1.676 122.885 121.223 -0.024 0.000 2.453 7 L HA 0.340 4.680 4.340 -0.000 0.000 0.261 7 L C -1.507 175.362 176.870 -0.003 0.000 1.179 7 L CA -2.040 52.788 54.840 -0.019 0.000 0.813 7 L CB 0.023 42.061 42.059 -0.034 0.000 1.110 7 L HN 0.029 nan 8.230 nan 0.000 0.466 8 P HA 0.045 nan 4.420 nan 0.000 0.276 8 P C -0.668 176.661 177.300 0.048 0.000 1.261 8 P CA -0.400 62.722 63.100 0.038 0.000 0.800 8 P CB 0.459 32.180 31.700 0.034 0.000 1.066 9 H N 1.012 120.080 119.070 -0.003 0.000 2.871 9 H HA -0.067 4.489 4.556 -0.000 0.000 0.355 9 H C 0.937 176.238 175.328 -0.045 0.000 1.092 9 H CA 1.088 57.133 56.048 -0.006 0.000 1.420 9 H CB 0.682 30.460 29.762 0.027 0.000 1.400 9 H HN 0.513 nan 8.280 nan 0.000 0.604 10 D N 1.418 121.546 120.400 -0.453 0.000 2.221 10 D HA -0.130 4.510 4.640 -0.000 0.000 0.204 10 D C 0.526 176.772 176.300 -0.090 0.000 0.982 10 D CA 1.400 55.274 54.000 -0.209 0.000 0.857 10 D CB 0.157 40.849 40.800 -0.180 0.000 0.934 10 D HN 0.217 nan 8.370 nan 0.000 0.475 11 S N -0.925 114.765 115.700 -0.016 0.000 2.663 11 S HA 0.510 4.979 4.470 -0.000 0.000 0.243 11 S C 1.516 175.829 174.600 -0.479 0.000 1.009 11 S CA -0.130 57.943 58.200 -0.211 0.000 0.988 11 S CB 0.905 63.972 63.200 -0.222 0.000 0.896 11 S HN 0.478 nan 8.310 nan 0.000 0.502 12 A N 2.753 125.450 122.820 -0.206 0.000 1.873 12 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 12 A C 2.083 179.641 177.584 -0.043 0.000 1.193 12 A CA 1.770 53.741 52.037 -0.110 0.000 0.629 12 A CB -0.494 18.527 19.000 0.035 0.000 0.826 12 A HN 0.457 nan 8.150 nan 0.000 0.447 13 R N -0.726 119.755 120.500 -0.032 0.000 2.075 13 R HA -0.065 4.274 4.340 -0.000 0.000 0.232 13 R C 2.370 178.680 176.300 0.017 0.000 1.126 13 R CA 1.340 57.443 56.100 0.004 0.000 0.963 13 R CB -0.396 29.904 30.300 -0.001 0.000 0.858 13 R HN 0.470 nan 8.270 nan 0.000 0.435 14 A N 0.101 122.912 122.820 -0.016 0.000 1.933 14 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 14 A C 1.757 179.412 177.584 0.118 0.000 1.175 14 A CA 1.561 53.610 52.037 0.020 0.000 0.628 14 A CB -0.836 18.155 19.000 -0.015 0.000 0.814 14 A HN 0.554 nan 8.150 nan 0.000 0.444 15 H N -1.756 117.348 119.070 0.056 0.000 2.290 15 H HA -0.116 4.440 4.556 -0.000 0.000 0.298 15 H C 2.071 177.440 175.328 0.068 0.000 1.087 15 H CA 1.203 57.296 56.048 0.075 0.000 1.291 15 H CB -0.071 29.727 29.762 0.061 0.000 1.369 15 H HN 0.292 nan 8.280 nan 0.000 0.492 16 V N 1.109 121.139 119.914 0.195 0.000 2.913 16 V HA -0.150 3.969 4.120 -0.000 0.000 0.260 16 V C 2.055 178.202 176.094 0.089 0.000 1.098 16 V CA 2.094 64.467 62.300 0.122 0.000 1.121 16 V CB -0.273 31.606 31.823 0.094 0.000 0.714 16 V HN 0.670 nan 8.190 nan 0.000 0.487 17 T N -4.031 110.574 114.554 0.085 0.000 3.069 17 T HA 0.323 4.673 4.350 -0.000 0.000 0.252 17 T C 1.464 176.204 174.700 0.066 0.000 1.053 17 T CA 0.664 62.801 62.100 0.062 0.000 0.964 17 T CB 0.696 69.591 68.868 0.045 0.000 1.005 17 T HN 0.890 nan 8.240 nan 0.000 0.532 18 G N 1.658 110.512 108.800 0.091 0.000 2.148 18 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.254 18 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.254 18 G C 0.671 175.621 174.900 0.083 0.000 0.981 18 G CA 0.529 45.686 45.100 0.095 0.000 0.670 18 G HN 0.569 nan 8.290 nan 0.000 0.528 19 Q N -0.356 119.486 119.800 0.070 0.000 2.398 19 Q HA 0.447 4.787 4.340 -0.000 0.000 0.204 19 Q C 1.729 177.741 176.000 0.020 0.000 0.932 19 Q CA 0.503 56.329 55.803 0.039 0.000 0.916 19 Q CB 0.328 29.081 28.738 0.025 0.000 1.024 19 Q HN 0.845 nan 8.270 nan 0.000 0.504 20 A N 1.719 124.565 122.820 0.044 0.000 2.492 20 A HA 0.147 4.466 4.320 -0.000 0.000 0.254 20 A C -0.326 177.147 177.584 -0.185 0.000 1.091 20 A CA 0.083 52.091 52.037 -0.048 0.000 0.768 20 A CB 0.125 19.175 19.000 0.083 0.000 1.028 20 A HN 0.191 nan 8.150 nan 0.000 0.498 21 R N 1.732 122.078 120.500 -0.257 0.000 2.254 21 R HA 0.483 4.823 4.340 -0.000 0.000 0.318 21 R C -1.175 174.876 176.300 -0.414 0.000 1.031 21 R CA -0.001 55.973 56.100 -0.210 0.000 0.905 21 R CB 0.829 31.062 30.300 -0.112 0.000 1.050 21 R HN 0.783 nan 8.270 nan 0.000 0.456 22 Y N 0.742 121.043 120.300 0.001 0.000 2.654 22 Y HA 0.163 4.713 4.550 -0.000 0.000 0.327 22 Y C 1.327 177.211 175.900 -0.027 0.000 1.122 22 Y CA -0.882 57.211 58.100 -0.012 0.000 1.227 22 Y CB 0.494 38.939 38.460 -0.025 0.000 1.370 22 Y HN 0.384 nan 8.280 nan 0.000 0.528 23 L N 0.691 121.995 121.223 0.136 0.000 1.990 23 L HA -0.226 4.114 4.340 -0.000 0.000 0.213 23 L C 1.618 178.501 176.870 0.022 0.000 1.072 23 L CA 2.324 57.191 54.840 0.045 0.000 0.755 23 L CB -0.396 41.676 42.059 0.021 0.000 0.889 23 L HN 0.818 nan 8.230 nan 0.000 0.432 24 D N -1.101 119.314 120.400 0.025 0.000 2.350 24 D HA -0.163 4.477 4.640 -0.000 0.000 0.216 24 D C 1.458 177.768 176.300 0.017 0.000 0.968 24 D CA 0.806 54.809 54.000 0.004 0.000 0.894 24 D CB 0.020 40.802 40.800 -0.030 0.000 0.909 24 D HN 0.461 nan 8.370 nan 0.000 0.520 25 D N -0.388 120.038 120.400 0.042 0.000 2.234 25 D HA -0.012 4.628 4.640 -0.000 0.000 0.205 25 D C 0.550 176.850 176.300 0.001 0.000 0.962 25 D CA 0.177 54.199 54.000 0.037 0.000 0.855 25 D CB -0.073 40.771 40.800 0.074 0.000 0.951 25 D HN 0.304 nan 8.370 nan 0.000 0.500 26 L N 3.286 124.496 121.223 -0.022 0.000 2.513 26 L HA 0.118 4.458 4.340 -0.000 0.000 0.272 26 L C -1.859 174.979 176.870 -0.054 0.000 1.187 26 L CA -1.236 53.565 54.840 -0.065 0.000 0.895 26 L CB -0.223 41.759 42.059 -0.130 0.000 1.147 26 L HN -0.113 nan 8.230 nan 0.000 0.483 27 P HA 0.228 nan 4.420 nan 0.000 0.279 27 P C -0.929 176.343 177.300 -0.048 0.000 1.239 27 P CA -0.471 62.608 63.100 -0.036 0.000 0.789 27 P CB 1.118 32.800 31.700 -0.030 0.000 0.933 28 C N 1.489 120.772 119.300 -0.028 0.000 3.323 28 C HA 0.714 5.174 4.460 -0.000 0.000 0.324 28 C C -2.632 172.349 174.990 -0.014 0.000 1.428 28 C CA -2.269 56.730 59.018 -0.032 0.000 1.368 28 C CB 0.127 27.841 27.740 -0.043 0.000 1.731 28 C HN 0.352 nan 8.230 nan 0.000 0.455 29 P HA 0.333 nan 4.420 nan 0.000 0.268 29 P C 0.615 177.916 177.300 0.002 0.000 1.208 29 P CA 0.132 63.228 63.100 -0.007 0.000 0.777 29 P CB 0.383 32.078 31.700 -0.009 0.000 0.875 30 A N 2.134 124.960 122.820 0.010 0.000 2.248 30 A HA -0.136 4.184 4.320 -0.000 0.000 0.210 30 A C 1.432 179.030 177.584 0.023 0.000 1.174 30 A CA 1.151 53.200 52.037 0.021 0.000 0.750 30 A CB -1.032 17.979 19.000 0.019 0.000 0.780 30 A HN 0.705 nan 8.150 nan 0.000 0.478 31 N N -0.900 117.806 118.700 0.010 0.000 2.299 31 N HA -0.012 4.728 4.740 -0.000 0.000 0.187 31 N C -0.127 175.376 175.510 -0.012 0.000 1.099 31 N CA 0.539 53.593 53.050 0.008 0.000 0.867 31 N CB -1.024 37.466 38.487 0.005 0.000 0.974 31 N HN 0.058 nan 8.380 nan 0.000 0.477 32 T N 2.270 116.802 114.554 -0.036 0.000 2.849 32 T HA 0.055 4.405 4.350 -0.000 0.000 0.289 32 T C 0.510 175.084 174.700 -0.210 0.000 1.010 32 T CA 0.176 62.203 62.100 -0.121 0.000 1.161 32 T CB 0.461 69.242 68.868 -0.145 0.000 0.989 32 T HN 0.138 nan 8.240 nan 0.000 0.523 33 L N 3.531 124.618 121.223 -0.226 0.000 2.416 33 L HA 0.470 4.810 4.340 -0.000 0.000 0.262 33 L C 0.627 177.242 176.870 -0.425 0.000 1.093 33 L CA -0.955 53.770 54.840 -0.191 0.000 0.801 33 L CB 0.730 42.765 42.059 -0.040 0.000 1.191 33 L HN 0.633 nan 8.230 nan 0.000 0.459 34 H N 2.193 121.292 119.070 0.049 0.000 2.637 34 H HA 0.549 5.105 4.556 -0.000 0.000 0.363 34 H C -0.978 174.376 175.328 0.043 0.000 1.131 34 H CA -0.591 55.491 56.048 0.058 0.000 1.183 34 H CB 2.235 32.058 29.762 0.102 0.000 1.637 34 H HN 0.308 nan 8.280 nan 0.000 0.531 35 L N 1.432 122.729 121.223 0.123 0.000 2.342 35 L HA 0.797 5.136 4.340 -0.000 0.000 0.271 35 L C -0.097 176.756 176.870 -0.028 0.000 1.008 35 L CA -1.030 53.814 54.840 0.007 0.000 0.818 35 L CB 1.986 43.979 42.059 -0.110 0.000 1.296 35 L HN 0.586 nan 8.230 nan 0.000 0.427 36 A N 1.868 124.637 122.820 -0.084 0.000 2.486 36 A HA 0.737 5.057 4.320 -0.000 0.000 0.300 36 A C -1.292 176.206 177.584 -0.143 0.000 1.048 36 A CA -0.423 51.558 52.037 -0.093 0.000 0.696 36 A CB 1.046 20.019 19.000 -0.045 0.000 1.278 36 A HN 0.526 nan 8.150 nan 0.000 0.405 37 F N 1.193 121.150 119.950 0.011 0.000 2.399 37 F HA 0.469 4.996 4.527 -0.000 0.000 0.342 37 F C 1.431 177.014 175.800 -0.362 0.000 1.106 37 F CA 0.157 58.080 58.000 -0.129 0.000 1.196 37 F CB 1.562 40.528 39.000 -0.057 0.000 1.163 37 F HN 0.675 nan 8.300 nan 0.000 0.547 38 G N 4.985 113.406 108.800 -0.631 0.000 2.338 38 G HA2 0.490 4.450 3.960 -0.000 0.000 0.295 38 G HA3 0.490 4.450 3.960 -0.000 0.000 0.295 38 G C -0.645 173.927 174.900 -0.547 0.000 1.132 38 G CA -0.554 43.873 45.100 -1.123 0.000 0.922 38 G HN 0.483 nan 8.290 nan 0.000 0.427 39 L N 1.514 122.571 121.223 -0.275 0.000 2.375 39 L HA 0.459 4.798 4.340 -0.000 0.000 0.268 39 L C 0.977 177.746 176.870 -0.169 0.000 1.058 39 L CA -0.821 53.881 54.840 -0.229 0.000 0.803 39 L CB 1.763 43.692 42.059 -0.216 0.000 1.212 39 L HN 0.525 nan 8.230 nan 0.000 0.451 40 S N -0.462 115.081 115.700 -0.261 0.000 2.565 40 S HA 0.175 4.645 4.470 -0.000 0.000 0.274 40 S C 0.755 175.187 174.600 -0.280 0.000 1.309 40 S CA -0.407 57.655 58.200 -0.230 0.000 1.043 40 S CB 0.778 63.756 63.200 -0.370 0.000 0.939 40 S HN 0.725 nan 8.310 nan 0.000 0.504 41 T N 1.141 115.529 114.554 -0.277 0.000 3.092 41 T HA 0.369 4.719 4.350 -0.000 0.000 0.258 41 T C -0.068 174.384 174.700 -0.413 0.000 1.031 41 T CA -0.368 61.562 62.100 -0.283 0.000 0.925 41 T CB -0.002 68.780 68.868 -0.143 0.000 1.036 41 T HN 0.505 nan 8.240 nan 0.000 0.544 42 E N 0.339 120.200 120.200 -0.565 0.000 2.256 42 E HA 0.680 5.029 4.350 -0.000 0.000 0.267 42 E C 0.544 176.934 176.600 -0.349 0.000 0.892 42 E CA -0.585 55.513 56.400 -0.504 0.000 0.775 42 E CB 2.079 31.341 29.700 -0.729 0.000 1.207 42 E HN 0.132 nan 8.360 nan 0.000 0.420 43 A N 1.653 124.335 122.820 -0.231 0.000 1.930 43 A HA 0.010 4.330 4.320 -0.000 0.000 0.215 43 A C 0.969 178.484 177.584 -0.115 0.000 1.176 43 A CA 0.945 52.901 52.037 -0.135 0.000 0.632 43 A CB 0.337 19.289 19.000 -0.080 0.000 0.819 43 A HN 0.295 nan 8.150 nan 0.000 0.445 44 S N -1.454 114.163 115.700 -0.139 0.000 2.614 44 S HA 0.608 5.078 4.470 -0.000 0.000 0.259 44 S C -0.867 173.659 174.600 -0.123 0.000 1.118 44 S CA 0.230 58.361 58.200 -0.116 0.000 1.065 44 S CB 0.479 63.652 63.200 -0.045 0.000 1.121 44 S HN 1.471 nan 8.310 nan 0.000 0.458 45 A N 2.944 125.679 122.820 -0.143 0.000 2.612 45 A HA 0.924 5.243 4.320 -0.000 0.000 0.293 45 A C -0.558 177.005 177.584 -0.035 0.000 1.075 45 A CA -0.273 51.725 52.037 -0.065 0.000 0.680 45 A CB 0.909 19.881 19.000 -0.046 0.000 1.279 45 A HN 1.497 nan 8.150 nan 0.000 0.411 46 A N 0.394 123.224 122.820 0.017 0.000 2.293 46 A HA 0.715 5.035 4.320 -0.000 0.000 0.302 46 A C -0.366 177.259 177.584 0.068 0.000 1.119 46 A CA -0.397 51.654 52.037 0.024 0.000 0.823 46 A CB 0.046 19.055 19.000 0.016 0.000 1.097 46 A HN 0.783 nan 8.150 nan 0.000 0.491 47 I N 2.400 122.990 120.570 0.034 0.000 2.291 47 I HA 0.138 4.308 4.170 -0.000 0.000 0.292 47 I C 0.973 177.059 176.117 -0.051 0.000 1.064 47 I CA -0.161 61.122 61.300 -0.028 0.000 1.269 47 I CB 1.048 39.024 38.000 -0.040 0.000 1.418 47 I HN 0.786 nan 8.210 nan 0.000 0.485 48 T N 3.410 117.921 114.554 -0.071 0.000 2.896 48 T HA 0.090 4.440 4.350 -0.000 0.000 0.263 48 T C 0.878 175.533 174.700 -0.074 0.000 1.050 48 T CA 0.595 62.662 62.100 -0.055 0.000 1.140 48 T CB 0.085 68.927 68.868 -0.044 0.000 0.877 48 T HN 0.753 nan 8.240 nan 0.000 0.457 49 G N 0.168 108.895 108.800 -0.120 0.000 2.704 49 G HA2 0.603 4.562 3.960 -0.000 0.000 0.293 49 G HA3 0.603 4.562 3.960 -0.000 0.000 0.293 49 G C -2.286 172.522 174.900 -0.154 0.000 1.421 49 G CA -0.714 44.317 45.100 -0.115 0.000 0.870 49 G HN 0.229 nan 8.290 nan 0.000 0.492 50 L N 1.146 122.295 121.223 -0.124 0.000 2.620 50 L HA 0.537 4.876 4.340 -0.000 0.000 0.261 50 L C -1.718 175.072 176.870 -0.134 0.000 0.978 50 L CA -0.544 54.215 54.840 -0.135 0.000 0.897 50 L CB 1.998 43.996 42.059 -0.102 0.000 1.207 50 L HN 0.475 nan 8.230 nan 0.000 0.425 51 D N 4.252 124.567 120.400 -0.142 0.000 2.359 51 D HA 0.365 5.005 4.640 -0.000 0.000 0.230 51 D C 0.163 176.350 176.300 -0.189 0.000 1.118 51 D CA -0.012 53.906 54.000 -0.137 0.000 0.844 51 D CB 1.052 41.790 40.800 -0.103 0.000 1.059 51 D HN 0.613 nan 8.370 nan 0.000 0.493 52 L N 3.316 124.410 121.223 -0.216 0.000 2.872 52 L HA 0.251 4.591 4.340 -0.000 0.000 0.245 52 L C 1.554 178.310 176.870 -0.189 0.000 1.211 52 L CA -0.206 54.459 54.840 -0.292 0.000 1.013 52 L CB 0.262 42.098 42.059 -0.372 0.000 1.326 52 L HN 0.338 nan 8.230 nan 0.000 0.525 53 E N 2.022 122.141 120.200 -0.134 0.000 2.028 53 E HA -0.111 4.239 4.350 -0.000 0.000 0.191 53 E C -0.823 175.730 176.600 -0.078 0.000 0.988 53 E CA 1.395 57.738 56.400 -0.094 0.000 0.799 53 E CB -0.595 29.061 29.700 -0.073 0.000 0.755 53 E HN 0.220 nan 8.360 nan 0.000 0.447 54 P HA -0.029 nan 4.420 nan 0.000 0.242 54 P C 0.653 177.928 177.300 -0.042 0.000 1.197 54 P CA 0.516 63.588 63.100 -0.047 0.000 0.765 54 P CB 0.294 31.972 31.700 -0.036 0.000 0.936 55 V N -0.280 119.590 119.914 -0.073 0.000 2.492 55 V HA -0.021 4.098 4.120 -0.000 0.000 0.241 55 V C 2.380 178.452 176.094 -0.037 0.000 1.041 55 V CA 1.216 63.484 62.300 -0.054 0.000 1.057 55 V CB -0.727 31.012 31.823 -0.140 0.000 0.711 55 V HN 0.028 nan 8.190 nan 0.000 0.468 56 R N 0.275 120.736 120.500 -0.065 0.000 2.148 56 R HA -0.084 4.256 4.340 -0.000 0.000 0.227 56 R C 1.954 178.234 176.300 -0.032 0.000 1.103 56 R CA 1.179 57.248 56.100 -0.051 0.000 0.983 56 R CB -0.104 30.153 30.300 -0.072 0.000 0.874 56 R HN 0.599 nan 8.270 nan 0.000 0.451 57 E N 0.355 120.536 120.200 -0.032 0.000 2.478 57 E HA 0.022 4.371 4.350 -0.000 0.000 0.194 57 E C 0.219 176.813 176.600 -0.009 0.000 1.045 57 E CA -0.166 56.221 56.400 -0.021 0.000 0.868 57 E CB 0.440 30.125 29.700 -0.024 0.000 0.885 57 E HN 0.001 nan 8.360 nan 0.000 0.505 58 S N 1.891 117.588 115.700 -0.004 0.000 2.562 58 S HA 0.088 4.558 4.470 -0.000 0.000 0.281 58 S C -2.353 172.254 174.600 0.012 0.000 1.333 58 S CA -1.550 56.654 58.200 0.008 0.000 1.052 58 S CB 0.474 63.685 63.200 0.018 0.000 0.884 58 S HN -0.169 nan 8.310 nan 0.000 0.506 59 P HA 0.208 nan 4.420 nan 0.000 0.267 59 P C 0.829 178.143 177.300 0.022 0.000 1.200 59 P CA 0.860 63.969 63.100 0.015 0.000 0.772 59 P CB 0.167 31.876 31.700 0.014 0.000 0.855 60 G N 0.807 109.621 108.800 0.024 0.000 2.175 60 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.265 60 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.265 60 G C 0.128 175.054 174.900 0.043 0.000 0.979 60 G CA 0.049 45.170 45.100 0.035 0.000 0.663 60 G HN 0.522 nan 8.290 nan 0.000 0.533 61 V N 1.588 121.523 119.914 0.036 0.000 2.530 61 V HA 0.376 4.496 4.120 -0.000 0.000 0.282 61 V C 1.497 177.610 176.094 0.031 0.000 1.048 61 V CA -0.314 62.010 62.300 0.041 0.000 0.997 61 V CB 1.408 33.251 31.823 0.033 0.000 0.987 61 V HN 0.158 nan 8.190 nan 0.000 0.477 62 I N 2.703 123.299 120.570 0.044 0.000 3.300 62 I HA 0.406 4.576 4.170 -0.000 0.000 0.279 62 I C 0.878 177.000 176.117 0.007 0.000 1.172 62 I CA 0.799 62.119 61.300 0.033 0.000 1.431 62 I CB -0.073 37.958 38.000 0.053 0.000 1.240 62 I HN 0.674 nan 8.210 nan 0.000 0.453 63 A N 0.579 123.410 122.820 0.018 0.000 2.572 63 A HA 0.743 5.063 4.320 -0.000 0.000 0.295 63 A C -1.303 176.206 177.584 -0.126 0.000 1.072 63 A CA -0.364 51.604 52.037 -0.115 0.000 0.691 63 A CB 2.104 21.030 19.000 -0.124 0.000 1.291 63 A HN -0.155 nan 8.150 nan 0.000 0.404 64 V N 0.933 120.631 119.914 -0.359 0.000 2.638 64 V HA 0.629 4.749 4.120 -0.000 0.000 0.306 64 V C -1.521 174.354 176.094 -0.365 0.000 1.052 64 V CA -0.308 61.894 62.300 -0.163 0.000 0.885 64 V CB 1.506 33.279 31.823 -0.082 0.000 0.999 64 V HN 0.713 nan 8.190 nan 0.000 0.424 65 F N 1.627 121.670 119.950 0.154 0.000 2.493 65 F HA 0.675 5.202 4.527 -0.000 0.000 0.329 65 F C 0.730 176.647 175.800 0.195 0.000 1.126 65 F CA -0.417 57.671 58.000 0.146 0.000 0.937 65 F CB 2.245 41.331 39.000 0.143 0.000 1.146 65 F HN 0.435 nan 8.300 nan 0.000 0.442 66 T N 0.655 115.376 114.554 0.279 0.000 2.884 66 T HA 0.465 4.815 4.350 -0.000 0.000 0.277 66 T C 1.255 176.088 174.700 0.222 0.000 0.976 66 T CA -0.159 62.079 62.100 0.231 0.000 0.956 66 T CB 1.579 70.522 68.868 0.126 0.000 1.113 66 T HN 0.643 nan 8.240 nan 0.000 0.554 67 A N 0.294 123.220 122.820 0.176 0.000 1.972 67 A HA 0.139 4.459 4.320 -0.000 0.000 0.219 67 A C 2.374 180.029 177.584 0.120 0.000 1.169 67 A CA 1.600 53.725 52.037 0.146 0.000 0.635 67 A CB -1.212 17.864 19.000 0.127 0.000 0.810 67 A HN 0.896 nan 8.150 nan 0.000 0.446 68 A N -0.363 122.518 122.820 0.103 0.000 2.121 68 A HA -0.080 4.240 4.320 -0.000 0.000 0.218 68 A C 1.363 178.996 177.584 0.081 0.000 1.154 68 A CA 1.448 53.530 52.037 0.075 0.000 0.679 68 A CB -0.258 18.773 19.000 0.052 0.000 0.795 68 A HN 0.460 nan 8.150 nan 0.000 0.458 69 D N -0.500 119.977 120.400 0.127 0.000 2.339 69 D HA 0.154 4.794 4.640 -0.000 0.000 0.217 69 D C 0.008 176.427 176.300 0.198 0.000 1.050 69 D CA 0.102 54.200 54.000 0.163 0.000 0.856 69 D CB 0.122 41.047 40.800 0.208 0.000 0.922 69 D HN 0.355 nan 8.370 nan 0.000 0.518 70 L N 2.942 124.254 121.223 0.149 0.000 2.361 70 L HA 0.114 4.453 4.340 -0.000 0.000 0.278 70 L C -0.701 176.199 176.870 0.050 0.000 1.113 70 L CA -1.194 53.712 54.840 0.111 0.000 0.849 70 L CB 0.987 43.108 42.059 0.103 0.000 1.155 70 L HN -0.172 nan 8.230 nan 0.000 0.452 71 P HA -0.107 nan 4.420 nan 0.000 0.218 71 P C 0.242 177.300 177.300 -0.403 0.000 1.149 71 P CA 1.568 64.585 63.100 -0.139 0.000 0.817 71 P CB 0.430 32.111 31.700 -0.032 0.000 0.785 72 H N -2.029 117.075 119.070 0.056 0.000 5.303 72 H HA 0.264 4.820 4.556 -0.000 0.000 0.124 72 H C -0.145 175.215 175.328 0.053 0.000 1.316 72 H CA -0.562 55.518 56.048 0.053 0.000 0.217 72 H CB -0.742 29.055 29.762 0.057 0.000 1.678 72 H HN -0.194 nan 8.280 nan 0.000 0.189 73 D N 0.937 121.468 120.400 0.219 0.000 2.414 73 D HA 0.076 4.716 4.640 -0.000 0.000 0.242 73 D C -0.103 176.256 176.300 0.097 0.000 1.129 73 D CA 0.245 54.320 54.000 0.125 0.000 0.885 73 D CB 0.408 41.274 40.800 0.110 0.000 1.198 73 D HN 0.286 nan 8.370 nan 0.000 0.437 74 N N 2.037 120.783 118.700 0.077 0.000 2.806 74 N HA 0.111 4.850 4.740 -0.000 0.000 0.315 74 N C -1.706 173.837 175.510 0.055 0.000 1.738 74 N CA -0.443 52.649 53.050 0.070 0.000 0.993 74 N CB 0.034 38.572 38.487 0.085 0.000 1.324 74 N HN 0.236 nan 8.380 nan 0.000 0.493 75 D N -0.718 119.705 120.400 0.038 0.000 2.934 75 D HA 0.643 5.283 4.640 -0.000 0.000 0.230 75 D C -0.623 175.681 176.300 0.005 0.000 1.204 75 D CA -0.551 53.465 54.000 0.026 0.000 0.873 75 D CB 1.841 42.660 40.800 0.031 0.000 1.645 75 D HN 0.110 nan 8.370 nan 0.000 0.502 76 A N 2.106 124.916 122.820 -0.017 0.000 2.671 76 A HA 0.270 4.590 4.320 -0.000 0.000 0.265 76 A C 0.365 177.979 177.584 0.050 0.000 1.148 76 A CA -0.248 51.776 52.037 -0.021 0.000 0.977 76 A CB 0.247 19.104 19.000 -0.239 0.000 1.242 76 A HN 0.319 nan 8.150 nan 0.000 0.591 77 S N 1.950 117.667 115.700 0.028 0.000 2.528 77 S HA 0.390 4.860 4.470 -0.000 0.000 0.277 77 S C -1.543 173.057 174.600 -0.000 0.000 1.297 77 S CA -1.117 57.083 58.200 0.000 0.000 1.052 77 S CB 0.807 63.975 63.200 -0.053 0.000 0.917 77 S HN 0.287 nan 8.310 nan 0.000 0.492 78 P HA 0.201 nan 4.420 nan 0.000 0.253 78 P C -0.254 177.042 177.300 -0.008 0.000 1.281 78 P CA 0.094 63.196 63.100 0.003 0.000 0.792 78 P CB -0.166 31.561 31.700 0.047 0.000 1.193 79 A N 0.797 123.598 122.820 -0.032 0.000 2.299 79 A HA 0.607 4.926 4.320 -0.000 0.000 0.332 79 A C -1.517 176.053 177.584 -0.023 0.000 1.131 79 A CA -1.671 50.343 52.037 -0.039 0.000 0.844 79 A CB 0.203 19.148 19.000 -0.091 0.000 1.251 79 A HN -0.162 nan 8.150 nan 0.000 0.486 80 P HA -0.080 nan 4.420 nan 0.000 0.216 80 P C 0.586 177.882 177.300 -0.006 0.000 1.150 80 P CA 1.559 64.659 63.100 -0.001 0.000 0.837 80 P CB -0.106 31.597 31.700 0.005 0.000 0.786 81 S N -0.259 115.431 115.700 -0.016 0.000 2.549 81 S HA 0.295 4.765 4.470 -0.000 0.000 0.279 81 S C -2.495 172.086 174.600 -0.031 0.000 1.321 81 S CA -1.331 56.861 58.200 -0.014 0.000 1.054 81 S CB -0.088 63.110 63.200 -0.004 0.000 0.899 81 S HN -0.055 nan 8.310 nan 0.000 0.497 82 P HA 0.338 nan 4.420 nan 0.000 0.278 82 P C -0.799 176.475 177.300 -0.043 0.000 1.238 82 P CA -0.367 62.727 63.100 -0.011 0.000 0.794 82 P CB 0.446 32.157 31.700 0.020 0.000 0.955 83 E N 3.427 123.608 120.200 -0.032 0.000 2.279 83 E HA 0.286 4.636 4.350 -0.000 0.000 0.252 83 E C -2.571 174.109 176.600 0.132 0.000 0.894 83 E CA -2.691 53.685 56.400 -0.040 0.000 0.785 83 E CB 1.402 30.997 29.700 -0.174 0.000 1.237 83 E HN 0.250 nan 8.360 nan 0.000 0.418 84 P HA -0.043 nan 4.420 nan 0.000 0.269 84 P C 0.843 178.266 177.300 0.204 0.000 1.209 84 P CA -0.156 63.074 63.100 0.216 0.000 0.776 84 P CB 1.448 33.304 31.700 0.261 0.000 0.876 85 V N 2.455 122.383 119.914 0.023 0.000 2.407 85 V HA -0.063 4.057 4.120 -0.000 0.000 0.245 85 V C 1.285 177.395 176.094 0.027 0.000 1.041 85 V CA 1.435 63.655 62.300 -0.134 0.000 1.040 85 V CB -0.722 31.017 31.823 -0.140 0.000 0.671 85 V HN 0.396 nan 8.190 nan 0.000 0.455 86 L N 0.200 121.475 121.223 0.087 0.000 2.346 86 L HA 0.736 5.076 4.340 -0.000 0.000 0.276 86 L C 0.171 177.115 176.870 0.123 0.000 1.006 86 L CA -0.811 54.089 54.840 0.101 0.000 0.817 86 L CB 1.594 43.753 42.059 0.166 0.000 1.272 86 L HN 0.129 nan 8.230 nan 0.000 0.421 87 A N 1.108 123.985 122.820 0.096 0.000 2.546 87 A HA 0.310 4.630 4.320 -0.000 0.000 0.243 87 A C 0.524 178.181 177.584 0.122 0.000 1.063 87 A CA 0.051 52.152 52.037 0.106 0.000 0.757 87 A CB -0.262 18.764 19.000 0.044 0.000 0.991 87 A HN 0.718 nan 8.150 nan 0.000 0.503 88 T N 0.794 115.435 114.554 0.145 0.000 3.400 88 T HA 0.503 4.853 4.350 -0.000 0.000 0.364 88 T C 1.191 175.953 174.700 0.103 0.000 1.636 88 T CA 0.221 62.395 62.100 0.125 0.000 1.211 88 T CB 0.113 69.063 68.868 0.136 0.000 1.180 88 T HN 2.229 nan 8.240 nan 0.000 0.730 89 G N 2.221 111.065 108.800 0.074 0.000 2.220 89 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.269 89 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.269 89 G C -0.135 174.785 174.900 0.034 0.000 0.977 89 G CA 0.603 45.733 45.100 0.049 0.000 0.634 89 G HN 1.055 nan 8.290 nan 0.000 0.539 90 E N -1.459 118.758 120.200 0.029 0.000 2.390 90 E HA 0.668 5.018 4.350 -0.000 0.000 0.277 90 E C -0.531 175.969 176.600 -0.167 0.000 0.939 90 E CA -0.784 55.581 56.400 -0.059 0.000 0.769 90 E CB 2.387 32.036 29.700 -0.085 0.000 1.251 90 E HN 1.019 nan 8.360 nan 0.000 0.450 91 V N -0.662 119.076 119.914 -0.293 0.000 2.680 91 V HA 0.492 4.611 4.120 -0.000 0.000 0.309 91 V C -0.262 175.520 176.094 -0.521 0.000 1.052 91 V CA -0.540 61.551 62.300 -0.349 0.000 0.908 91 V CB 1.555 33.240 31.823 -0.231 0.000 1.001 91 V HN 0.912 nan 8.190 nan 0.000 0.431 92 H N 3.636 122.590 119.070 -0.194 0.000 2.986 92 H HA 0.396 4.951 4.556 -0.000 0.000 0.267 92 H C -0.204 175.138 175.328 0.022 0.000 1.072 92 H CA 0.797 56.827 56.048 -0.029 0.000 1.202 92 H CB 1.236 31.130 29.762 0.219 0.000 1.535 92 H HN 0.802 nan 8.280 nan 0.000 0.522 93 F N -1.735 118.028 119.950 -0.311 0.000 2.719 93 F HA 0.437 4.964 4.527 -0.000 0.000 0.309 93 F C -1.614 174.042 175.800 -0.241 0.000 1.138 93 F CA -1.396 56.460 58.000 -0.240 0.000 0.943 93 F CB 0.845 39.703 39.000 -0.236 0.000 1.304 93 F HN -0.357 nan 8.300 nan 0.000 0.445 94 V N 3.017 122.780 119.914 -0.251 0.000 2.403 94 V HA 0.466 4.586 4.120 -0.000 0.000 0.265 94 V C 0.899 176.681 176.094 -0.520 0.000 1.034 94 V CA 1.085 63.174 62.300 -0.351 0.000 1.036 94 V CB -0.170 31.574 31.823 -0.132 0.000 1.032 94 V HN 1.546 nan 8.190 nan 0.000 0.478 95 G N 3.624 111.976 108.800 -0.748 0.000 2.148 95 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.157 95 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.157 95 G C 0.027 174.332 174.900 -0.993 0.000 1.012 95 G CA -0.079 44.632 45.100 -0.648 0.000 0.677 95 G HN 0.653 nan 8.290 nan 0.000 0.506 96 Q N 0.928 119.895 119.800 -1.389 0.000 2.293 96 Q HA 0.402 4.742 4.340 -0.000 0.000 0.263 96 Q C -2.343 173.371 176.000 -0.476 0.000 1.002 96 Q CA -1.818 53.404 55.803 -0.968 0.000 0.910 96 Q CB 0.984 29.159 28.738 -0.940 0.000 1.185 96 Q HN 0.139 nan 8.270 nan 0.000 0.401 97 P HA -0.038 nan 4.420 nan 0.000 0.261 97 P C -0.403 176.790 177.300 -0.178 0.000 1.203 97 P CA 0.707 63.593 63.100 -0.355 0.000 0.767 97 P CB 0.452 31.676 31.700 -0.793 0.000 0.785 98 I N 3.446 123.951 120.570 -0.109 0.000 2.810 98 I HA 0.105 4.275 4.170 -0.000 0.000 0.262 98 I C 0.813 177.069 176.117 0.233 0.000 1.131 98 I CA 0.638 61.980 61.300 0.070 0.000 1.453 98 I CB -0.072 38.023 38.000 0.159 0.000 1.161 98 I HN 0.243 nan 8.210 nan 0.000 0.444 99 F N 0.006 120.052 119.950 0.160 0.000 2.650 99 F HA 0.782 5.309 4.527 -0.000 0.000 0.320 99 F C -1.223 174.784 175.800 0.345 0.000 1.091 99 F CA -1.618 56.514 58.000 0.219 0.000 0.962 99 F CB 1.318 40.404 39.000 0.143 0.000 1.363 99 F HN -0.290 nan 8.300 nan 0.000 0.482 100 L N 2.160 123.715 121.223 0.553 0.000 2.365 100 L HA 0.834 5.174 4.340 -0.000 0.000 0.273 100 L C -1.580 175.571 176.870 0.469 0.000 1.000 100 L CA -0.747 54.336 54.840 0.405 0.000 0.819 100 L CB 2.105 44.365 42.059 0.335 0.000 1.284 100 L HN 0.624 nan 8.230 nan 0.000 0.418 101 V N 4.119 124.208 119.914 0.292 0.000 2.448 101 V HA 0.825 4.945 4.120 -0.000 0.000 0.295 101 V C 0.152 176.366 176.094 0.200 0.000 1.025 101 V CA -0.477 61.986 62.300 0.272 0.000 0.859 101 V CB 1.236 33.199 31.823 0.234 0.000 0.988 101 V HN 0.951 nan 8.190 nan 0.000 0.431 102 A N 3.935 126.897 122.820 0.237 0.000 2.249 102 A HA 0.930 5.250 4.320 -0.000 0.000 0.314 102 A C 0.109 177.772 177.584 0.132 0.000 1.290 102 A CA -0.020 52.129 52.037 0.187 0.000 0.893 102 A CB 0.784 19.947 19.000 0.271 0.000 1.165 102 A HN 1.383 nan 8.150 nan 0.000 0.530 103 A N 1.508 124.401 122.820 0.122 0.000 2.485 103 A HA 0.724 5.044 4.320 -0.000 0.000 0.292 103 A C 1.046 178.715 177.584 0.142 0.000 1.147 103 A CA 0.213 52.317 52.037 0.112 0.000 0.750 103 A CB 0.380 19.438 19.000 0.096 0.000 1.331 103 A HN 1.371 nan 8.150 nan 0.000 0.419 104 T N -1.427 113.200 114.554 0.122 0.000 3.035 104 T HA 0.172 4.521 4.350 -0.000 0.000 0.268 104 T C 0.747 175.579 174.700 0.220 0.000 1.109 104 T CA 1.249 63.434 62.100 0.143 0.000 1.119 104 T CB -0.663 68.258 68.868 0.088 0.000 0.900 104 T HN 1.649 nan 8.240 nan 0.000 0.503 105 S N -0.786 115.016 115.700 0.170 0.000 2.564 105 S HA 0.378 4.848 4.470 -0.000 0.000 0.274 105 S C 0.498 175.103 174.600 0.008 0.000 1.124 105 S CA -0.840 57.388 58.200 0.047 0.000 0.869 105 S CB 1.478 64.680 63.200 0.003 0.000 1.105 105 S HN 0.257 nan 8.310 nan 0.000 0.472 106 H N 1.754 120.650 119.070 -0.289 0.000 2.319 106 H HA -0.060 4.496 4.556 -0.000 0.000 0.299 106 H C 1.771 177.077 175.328 -0.038 0.000 1.092 106 H CA 1.797 57.763 56.048 -0.136 0.000 1.302 106 H CB -0.024 29.615 29.762 -0.205 0.000 1.373 106 H HN 0.532 nan 8.280 nan 0.000 0.497 107 R N 0.473 120.925 120.500 -0.079 0.000 2.097 107 R HA -0.123 4.217 4.340 -0.000 0.000 0.236 107 R C 2.570 178.821 176.300 -0.082 0.000 1.135 107 R CA 1.227 57.274 56.100 -0.088 0.000 0.934 107 R CB -1.037 29.258 30.300 -0.009 0.000 0.846 107 R HN 0.424 nan 8.270 nan 0.000 0.431 108 A N 1.069 123.870 122.820 -0.032 0.000 1.948 108 A HA -0.162 4.158 4.320 -0.000 0.000 0.220 108 A C 2.405 179.988 177.584 -0.002 0.000 1.177 108 A CA 2.094 54.129 52.037 -0.003 0.000 0.636 108 A CB -0.619 18.395 19.000 0.023 0.000 0.815 108 A HN 0.438 nan 8.150 nan 0.000 0.449 109 A N -0.201 122.610 122.820 -0.015 0.000 1.902 109 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 109 A C 2.261 179.828 177.584 -0.028 0.000 1.181 109 A CA 1.516 53.553 52.037 0.000 0.000 0.623 109 A CB -0.453 18.553 19.000 0.011 0.000 0.818 109 A HN 0.572 nan 8.150 nan 0.000 0.443 110 R N -0.768 119.662 120.500 -0.117 0.000 2.115 110 R HA 0.060 4.400 4.340 -0.000 0.000 0.226 110 R C 1.980 178.265 176.300 -0.025 0.000 1.100 110 R CA 1.231 57.274 56.100 -0.095 0.000 0.980 110 R CB -0.478 29.717 30.300 -0.175 0.000 0.875 110 R HN 0.551 nan 8.270 nan 0.000 0.445 111 I N 1.043 121.601 120.570 -0.020 0.000 2.179 111 I HA -0.270 3.900 4.170 -0.000 0.000 0.242 111 I C 2.629 178.770 176.117 0.040 0.000 1.088 111 I CA 1.433 62.739 61.300 0.010 0.000 1.357 111 I CB -0.357 37.646 38.000 0.006 0.000 1.051 111 I HN 0.153 nan 8.210 nan 0.000 0.409 112 A N 0.488 123.339 122.820 0.053 0.000 1.930 112 A HA -0.113 4.206 4.320 -0.000 0.000 0.217 112 A C 2.513 180.198 177.584 0.168 0.000 1.175 112 A CA 1.606 53.696 52.037 0.088 0.000 0.627 112 A CB -0.801 18.253 19.000 0.089 0.000 0.815 112 A HN 0.429 nan 8.150 nan 0.000 0.443 113 A N -0.075 122.851 122.820 0.176 0.000 1.978 113 A HA -0.168 4.152 4.320 -0.000 0.000 0.220 113 A C 2.176 179.915 177.584 0.259 0.000 1.170 113 A CA 1.519 53.705 52.037 0.249 0.000 0.636 113 A CB -0.403 18.630 19.000 0.055 0.000 0.810 113 A HN 0.556 nan 8.150 nan 0.000 0.448 114 R N -0.682 119.905 120.500 0.145 0.000 2.275 114 R HA 0.071 4.411 4.340 -0.000 0.000 0.199 114 R C 1.184 177.556 176.300 0.120 0.000 0.989 114 R CA 0.694 56.864 56.100 0.117 0.000 1.016 114 R CB -0.032 30.305 30.300 0.061 0.000 0.918 114 R HN 0.408 nan 8.270 nan 0.000 0.473 115 K N 0.655 121.127 120.400 0.120 0.000 2.458 115 K HA 0.162 4.482 4.320 -0.000 0.000 0.194 115 K C 0.240 176.858 176.600 0.030 0.000 1.024 115 K CA -0.183 56.141 56.287 0.062 0.000 1.108 115 K CB 0.700 33.223 32.500 0.038 0.000 0.846 115 K HN 0.062 nan 8.250 nan 0.000 0.518 116 A N 1.548 124.405 122.820 0.062 0.000 2.340 116 A HA 0.281 4.600 4.320 -0.000 0.000 0.268 116 A C -0.322 177.255 177.584 -0.012 0.000 1.100 116 A CA -0.268 51.740 52.037 -0.048 0.000 0.803 116 A CB 0.375 19.291 19.000 -0.139 0.000 1.043 116 A HN 0.223 nan 8.150 nan 0.000 0.488 117 R N 1.429 121.889 120.500 -0.066 0.000 2.275 117 R HA 0.480 4.819 4.340 -0.000 0.000 0.326 117 R C -1.363 174.873 176.300 -0.107 0.000 0.973 117 R CA -0.066 55.999 56.100 -0.058 0.000 0.854 117 R CB 0.807 31.075 30.300 -0.054 0.000 1.156 117 R HN 0.702 nan 8.270 nan 0.000 0.487 118 I N 2.190 122.678 120.570 -0.136 0.000 2.378 118 I HA 0.261 4.431 4.170 -0.000 0.000 0.291 118 I C 0.422 176.268 176.117 -0.452 0.000 0.992 118 I CA -0.780 60.329 61.300 -0.319 0.000 1.154 118 I CB 2.177 39.927 38.000 -0.417 0.000 1.315 118 I HN 0.459 nan 8.210 nan 0.000 0.448 119 T N 2.322 116.625 114.554 -0.417 0.000 2.767 119 T HA 0.609 4.959 4.350 -0.000 0.000 0.284 119 T C -0.775 173.692 174.700 -0.389 0.000 0.973 119 T CA -0.547 61.370 62.100 -0.304 0.000 0.996 119 T CB 0.527 69.312 68.868 -0.137 0.000 0.927 119 T HN 0.289 nan 8.240 nan 0.000 0.456 120 Y N 1.073 121.357 120.300 -0.026 0.000 2.487 120 Y HA 0.641 5.190 4.550 -0.000 0.000 0.337 120 Y C 0.380 176.262 175.900 -0.030 0.000 1.076 120 Y CA -1.545 56.535 58.100 -0.035 0.000 1.115 120 Y CB 1.828 40.259 38.460 -0.048 0.000 1.235 120 Y HN 0.921 nan 8.280 nan 0.000 0.468 121 A N 3.616 126.513 122.820 0.129 0.000 2.508 121 A HA 0.593 4.913 4.320 -0.000 0.000 0.336 121 A C -2.854 174.759 177.584 0.049 0.000 1.360 121 A CA -1.806 50.270 52.037 0.066 0.000 0.841 121 A CB -0.372 18.648 19.000 0.034 0.000 1.136 121 A HN 0.416 nan 8.150 nan 0.000 0.489 122 P HA 0.417 nan 4.420 nan 0.000 0.271 122 P C -0.225 177.067 177.300 -0.013 0.000 1.218 122 P CA -0.042 63.052 63.100 -0.011 0.000 0.780 122 P CB 0.698 32.381 31.700 -0.029 0.000 0.901 123 R N 2.036 122.519 120.500 -0.027 0.000 2.892 123 R HA 0.566 4.906 4.340 -0.000 0.000 0.265 123 R C -2.231 174.056 176.300 -0.021 0.000 1.025 123 R CA -2.081 54.008 56.100 -0.017 0.000 0.982 123 R CB 0.046 30.337 30.300 -0.014 0.000 1.185 123 R HN 0.366 nan 8.270 nan 0.000 0.484 124 P HA 0.030 nan 4.420 nan 0.000 0.265 124 P C -1.220 176.071 177.300 -0.014 0.000 1.193 124 P CA 0.034 63.127 63.100 -0.012 0.000 0.765 124 P CB 0.691 32.388 31.700 -0.005 0.000 0.823 125 A N 3.973 126.781 122.820 -0.020 0.000 2.317 125 A HA 0.554 4.874 4.320 -0.000 0.000 0.327 125 A C 0.032 177.605 177.584 -0.020 0.000 1.178 125 A CA -0.850 51.175 52.037 -0.020 0.000 0.817 125 A CB 0.281 19.260 19.000 -0.035 0.000 1.189 125 A HN 0.485 nan 8.150 nan 0.000 0.489 126 I N 3.646 124.206 120.570 -0.016 0.000 2.281 126 I HA 0.163 4.333 4.170 -0.000 0.000 0.293 126 I C 0.527 176.613 176.117 -0.053 0.000 1.085 126 I CA 0.292 61.574 61.300 -0.030 0.000 1.257 126 I CB 0.385 38.368 38.000 -0.028 0.000 1.430 126 I HN 0.687 nan 8.210 nan 0.000 0.489 127 L N 3.637 124.821 121.223 -0.065 0.000 2.515 127 L HA 0.164 4.504 4.340 -0.000 0.000 0.202 127 L C 1.231 178.023 176.870 -0.129 0.000 1.056 127 L CA 0.302 55.077 54.840 -0.109 0.000 0.847 127 L CB 0.073 42.083 42.059 -0.083 0.000 1.131 127 L HN 0.618 nan 8.230 nan 0.000 0.484 128 T N -2.627 111.880 114.554 -0.079 0.000 2.902 128 T HA 0.252 4.602 4.350 -0.000 0.000 0.280 128 T C 1.229 175.887 174.700 -0.071 0.000 0.992 128 T CA -0.737 61.321 62.100 -0.070 0.000 1.015 128 T CB 1.548 70.397 68.868 -0.031 0.000 1.044 128 T HN -0.198 nan 8.240 nan 0.000 0.520 129 L N 1.031 122.214 121.223 -0.068 0.000 2.012 129 L HA -0.059 4.281 4.340 -0.000 0.000 0.210 129 L C 2.207 179.040 176.870 -0.062 0.000 1.073 129 L CA 1.880 56.678 54.840 -0.069 0.000 0.748 129 L CB -1.849 40.171 42.059 -0.065 0.000 0.891 129 L HN 0.746 nan 8.230 nan 0.000 0.431 130 D N -0.922 119.449 120.400 -0.048 0.000 2.182 130 D HA -0.190 4.450 4.640 -0.000 0.000 0.201 130 D C 2.326 178.602 176.300 -0.040 0.000 0.986 130 D CA 0.817 54.791 54.000 -0.043 0.000 0.847 130 D CB -0.034 40.750 40.800 -0.028 0.000 0.942 130 D HN 0.425 nan 8.370 nan 0.000 0.467 131 Q N 0.098 119.875 119.800 -0.039 0.000 2.046 131 Q HA -0.032 4.308 4.340 -0.000 0.000 0.200 131 Q C 2.317 178.291 176.000 -0.043 0.000 0.975 131 Q CA 1.313 57.095 55.803 -0.036 0.000 0.836 131 Q CB -0.163 28.555 28.738 -0.034 0.000 0.896 131 Q HN 0.294 nan 8.270 nan 0.000 0.428 132 A N 0.664 123.452 122.820 -0.054 0.000 1.902 132 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 132 A C 2.015 179.566 177.584 -0.056 0.000 1.181 132 A CA 1.138 53.139 52.037 -0.061 0.000 0.623 132 A CB -0.573 18.385 19.000 -0.070 0.000 0.818 132 A HN 0.282 nan 8.150 nan 0.000 0.443 133 L N -0.457 120.731 121.223 -0.059 0.000 2.027 133 L HA -0.038 4.302 4.340 -0.000 0.000 0.206 133 L C 2.831 179.674 176.870 -0.045 0.000 1.074 133 L CA 2.095 56.897 54.840 -0.063 0.000 0.745 133 L CB -0.854 41.148 42.059 -0.095 0.000 0.898 133 L HN 0.360 nan 8.230 nan 0.000 0.433 134 A N -1.280 121.516 122.820 -0.041 0.000 2.015 134 A HA 0.047 4.367 4.320 -0.000 0.000 0.219 134 A C 2.171 179.740 177.584 -0.024 0.000 1.163 134 A CA 1.381 53.401 52.037 -0.029 0.000 0.646 134 A CB -0.717 18.268 19.000 -0.025 0.000 0.806 134 A HN 0.437 nan 8.150 nan 0.000 0.448 135 A N -1.603 121.200 122.820 -0.029 0.000 2.308 135 A HA 0.353 4.673 4.320 -0.000 0.000 0.217 135 A C 0.724 178.289 177.584 -0.032 0.000 1.216 135 A CA 0.959 52.980 52.037 -0.027 0.000 0.864 135 A CB -0.221 18.762 19.000 -0.028 0.000 0.902 135 A HN 0.469 nan 8.150 nan 0.000 0.499 136 D N -0.922 119.458 120.400 -0.034 0.000 2.772 136 D HA -0.154 4.486 4.640 -0.000 0.000 0.233 136 D C 0.004 176.266 176.300 -0.063 0.000 1.143 136 D CA 1.045 55.024 54.000 -0.035 0.000 0.700 136 D CB -1.495 39.292 40.800 -0.022 0.000 1.076 136 D HN 0.261 nan 8.370 nan 0.000 0.430 137 S N 0.236 115.887 115.700 -0.080 0.000 2.416 137 S HA 0.426 4.896 4.470 -0.000 0.000 0.302 137 S C 0.070 174.558 174.600 -0.187 0.000 1.120 137 S CA -0.276 57.843 58.200 -0.134 0.000 1.067 137 S CB 0.091 63.225 63.200 -0.110 0.000 1.057 137 S HN 0.439 nan 8.310 nan 0.000 0.518 138 R N 2.799 123.141 120.500 -0.263 0.000 2.752 138 R HA 0.527 4.866 4.340 -0.000 0.000 0.271 138 R C -1.681 174.366 176.300 -0.422 0.000 1.026 138 R CA -0.836 55.109 56.100 -0.259 0.000 0.901 138 R CB 0.548 30.806 30.300 -0.071 0.000 1.243 138 R HN 0.385 nan 8.270 nan 0.000 0.463 139 F N 0.464 120.397 119.950 -0.029 0.000 2.483 139 F HA 0.353 4.879 4.527 -0.000 0.000 0.329 139 F C 0.486 176.267 175.800 -0.032 0.000 1.064 139 F CA -0.319 57.660 58.000 -0.035 0.000 0.986 139 F CB 1.679 40.651 39.000 -0.047 0.000 1.218 139 F HN 0.872 nan 8.300 nan 0.000 0.484 140 E N -0.005 120.301 120.200 0.176 0.000 3.496 140 E HA -0.198 4.152 4.350 -0.000 0.000 0.300 140 E C 0.752 177.375 176.600 0.038 0.000 0.877 140 E CA 0.575 57.025 56.400 0.083 0.000 1.050 140 E CB -1.590 28.147 29.700 0.061 0.000 1.532 140 E HN 1.141 nan 8.360 nan 0.000 0.447 141 G N -0.360 108.455 108.800 0.025 0.000 2.386 141 G HA2 0.092 4.052 3.960 -0.000 0.000 0.295 141 G HA3 0.092 4.052 3.960 -0.000 0.000 0.295 141 G C 0.518 175.418 174.900 -0.000 0.000 0.979 141 G CA 1.011 46.114 45.100 0.004 0.000 1.193 141 G HN 1.251 nan 8.290 nan 0.000 0.508 142 G N -0.344 108.453 108.800 -0.004 0.000 2.406 142 G HA2 0.448 4.408 3.960 -0.000 0.000 0.680 142 G HA3 0.448 4.408 3.960 -0.000 0.000 0.680 142 G C -2.677 172.181 174.900 -0.070 0.000 1.338 142 G CA -0.178 44.910 45.100 -0.019 0.000 0.941 142 G HN 0.854 nan 8.290 nan 0.000 0.633 143 P HA 0.475 nan 4.420 nan 0.000 0.279 143 P C 0.090 177.248 177.300 -0.237 0.000 1.239 143 P CA -0.275 62.606 63.100 -0.365 0.000 0.789 143 P CB 1.512 32.699 31.700 -0.854 0.000 0.933 144 V N 4.894 124.666 119.914 -0.237 0.000 2.488 144 V HA 0.198 4.318 4.120 -0.000 0.000 0.277 144 V C 0.723 176.640 176.094 -0.295 0.000 1.046 144 V CA 0.047 62.210 62.300 -0.229 0.000 0.986 144 V CB 0.087 31.744 31.823 -0.277 0.000 0.989 144 V HN 0.382 nan 8.190 nan 0.000 0.475 145 I N 4.796 125.265 120.570 -0.169 0.000 2.447 145 I HA 0.442 4.612 4.170 -0.000 0.000 0.287 145 I C -1.088 175.138 176.117 0.182 0.000 1.023 145 I CA -0.334 60.927 61.300 -0.064 0.000 1.083 145 I CB 1.890 39.891 38.000 0.001 0.000 1.245 145 I HN 0.508 nan 8.210 nan 0.000 0.434 146 W N 5.113 126.470 121.300 0.095 0.000 2.656 146 W HA 0.770 5.430 4.660 -0.000 0.000 0.327 146 W C -0.335 176.259 176.519 0.125 0.000 1.041 146 W CA -1.508 55.917 57.345 0.135 0.000 1.229 146 W CB 1.857 31.448 29.460 0.219 0.000 1.397 146 W HN 0.397 nan 8.180 nan 0.000 0.479 147 A N 3.866 126.884 122.820 0.330 0.000 2.356 147 A HA 0.783 5.102 4.320 -0.000 0.000 0.310 147 A C -0.834 176.858 177.584 0.179 0.000 1.075 147 A CA -0.873 51.291 52.037 0.212 0.000 0.746 147 A CB 1.796 20.881 19.000 0.142 0.000 1.221 147 A HN 0.490 nan 8.150 nan 0.000 0.443 148 R N 2.269 122.865 120.500 0.159 0.000 2.337 148 R HA 0.544 4.883 4.340 -0.000 0.000 0.319 148 R C 0.613 176.956 176.300 0.072 0.000 0.954 148 R CA 0.921 57.094 56.100 0.121 0.000 0.840 148 R CB 0.644 31.037 30.300 0.155 0.000 1.164 148 R HN 2.109 nan 8.270 nan 0.000 0.472 149 G N 3.342 112.177 108.800 0.058 0.000 2.562 149 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.250 149 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.250 149 G C -0.935 173.986 174.900 0.036 0.000 1.269 149 G CA 0.223 45.347 45.100 0.039 0.000 0.919 149 G HN 0.592 nan 8.290 nan 0.000 0.574 150 D N 0.360 120.772 120.400 0.021 0.000 2.408 150 D HA 0.482 5.121 4.640 -0.000 0.000 0.261 150 D C 1.749 178.050 176.300 0.001 0.000 1.190 150 D CA 0.262 54.271 54.000 0.015 0.000 0.910 150 D CB 0.872 41.680 40.800 0.014 0.000 1.097 150 D HN 0.779 nan 8.370 nan 0.000 0.522 151 V N 1.977 121.890 119.914 -0.001 0.000 2.295 151 V HA -0.158 3.961 4.120 -0.000 0.000 0.246 151 V C 2.042 178.119 176.094 -0.027 0.000 1.049 151 V CA 1.061 63.347 62.300 -0.022 0.000 1.024 151 V CB -0.503 31.302 31.823 -0.030 0.000 0.648 151 V HN 0.387 nan 8.190 nan 0.000 0.447 152 E N 0.932 121.121 120.200 -0.018 0.000 2.130 152 E HA -0.194 4.155 4.350 -0.000 0.000 0.196 152 E C 2.350 178.938 176.600 -0.020 0.000 0.998 152 E CA 2.305 58.693 56.400 -0.020 0.000 0.806 152 E CB -0.510 29.184 29.700 -0.010 0.000 0.738 152 E HN 0.769 nan 8.360 nan 0.000 0.459 153 T N 0.858 115.404 114.554 -0.014 0.000 2.809 153 T HA 0.018 4.367 4.350 -0.000 0.000 0.260 153 T C 2.047 176.736 174.700 -0.018 0.000 1.039 153 T CA 1.109 63.201 62.100 -0.013 0.000 1.141 153 T CB -0.174 68.691 68.868 -0.005 0.000 0.869 153 T HN 0.237 nan 8.240 nan 0.000 0.437 154 A N 1.395 124.203 122.820 -0.020 0.000 1.933 154 A HA 0.026 4.346 4.320 -0.000 0.000 0.218 154 A C 2.262 179.825 177.584 -0.035 0.000 1.175 154 A CA 1.207 53.229 52.037 -0.025 0.000 0.628 154 A CB -0.870 18.113 19.000 -0.028 0.000 0.814 154 A HN 0.466 nan 8.150 nan 0.000 0.444 155 L N -1.034 120.164 121.223 -0.042 0.000 2.156 155 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 155 L C 3.013 179.855 176.870 -0.047 0.000 1.095 155 L CA 0.747 55.556 54.840 -0.051 0.000 0.770 155 L CB -0.441 41.580 42.059 -0.063 0.000 0.914 155 L HN 0.418 nan 8.230 nan 0.000 0.439 156 A N 0.158 122.955 122.820 -0.039 0.000 1.902 156 A HA -0.061 4.259 4.320 -0.000 0.000 0.217 156 A C 1.791 179.353 177.584 -0.037 0.000 1.181 156 A CA 1.567 53.583 52.037 -0.036 0.000 0.623 156 A CB -0.822 18.162 19.000 -0.028 0.000 0.818 156 A HN 0.395 nan 8.150 nan 0.000 0.443 157 G N -0.555 108.225 108.800 -0.034 0.000 4.464 157 G HA2 0.532 4.492 3.960 -0.000 0.000 0.297 157 G HA3 0.532 4.492 3.960 -0.000 0.000 0.297 157 G C -0.145 174.730 174.900 -0.042 0.000 1.342 157 G CA 0.532 45.611 45.100 -0.036 0.000 1.335 157 G HN 0.696 nan 8.290 nan 0.000 0.609 158 A N 0.167 122.956 122.820 -0.052 0.000 2.330 158 A HA 0.791 5.111 4.320 -0.000 0.000 0.327 158 A C 1.227 178.754 177.584 -0.095 0.000 1.155 158 A CA 0.135 52.138 52.037 -0.057 0.000 0.803 158 A CB 1.456 20.427 19.000 -0.048 0.000 1.208 158 A HN 0.814 nan 8.150 nan 0.000 0.477 159 A N 1.524 124.273 122.820 -0.117 0.000 1.877 159 A HA 0.028 4.348 4.320 -0.000 0.000 0.216 159 A C 0.732 178.017 177.584 -0.497 0.000 1.186 159 A CA 1.605 53.479 52.037 -0.272 0.000 0.620 159 A CB -0.498 18.373 19.000 -0.214 0.000 0.822 159 A HN 0.889 nan 8.150 nan 0.000 0.443 160 H N -2.416 116.633 119.070 -0.036 0.000 2.744 160 H HA 0.604 5.160 4.556 -0.000 0.000 0.339 160 H C -1.171 174.126 175.328 -0.052 0.000 1.004 160 H CA -0.590 55.434 56.048 -0.040 0.000 1.257 160 H CB 1.639 31.379 29.762 -0.037 0.000 1.552 160 H HN 0.288 nan 8.280 nan 0.000 0.522 161 L N 2.471 123.719 121.223 0.041 0.000 2.331 161 L HA 0.837 5.177 4.340 -0.000 0.000 0.275 161 L C -0.792 176.057 176.870 -0.035 0.000 1.022 161 L CA -0.518 54.310 54.840 -0.020 0.000 0.812 161 L CB 1.365 43.394 42.059 -0.050 0.000 1.257 161 L HN 0.784 nan 8.230 nan 0.000 0.435 162 A N 4.065 126.831 122.820 -0.089 0.000 2.446 162 A HA 0.646 4.966 4.320 -0.000 0.000 0.282 162 A C -1.003 176.413 177.584 -0.280 0.000 1.102 162 A CA -0.570 51.354 52.037 -0.189 0.000 0.737 162 A CB 0.603 19.532 19.000 -0.118 0.000 1.212 162 A HN 0.719 nan 8.150 nan 0.000 0.434 163 E N 0.909 120.863 120.200 -0.410 0.000 2.202 163 E HA 0.725 5.075 4.350 -0.000 0.000 0.272 163 E C 0.231 176.362 176.600 -0.782 0.000 0.951 163 E CA -0.603 55.516 56.400 -0.468 0.000 0.813 163 E CB 2.341 31.862 29.700 -0.297 0.000 1.151 163 E HN 0.915 nan 8.360 nan 0.000 0.398 164 G N 0.073 108.210 108.800 -1.105 0.000 2.495 164 G HA2 0.463 4.422 3.960 -0.000 0.000 0.294 164 G HA3 0.463 4.422 3.960 -0.000 0.000 0.294 164 G C -1.791 172.562 174.900 -0.912 0.000 1.397 164 G CA -0.428 44.028 45.100 -1.074 0.000 0.790 164 G HN 0.671 nan 8.290 nan 0.000 0.486 165 C N -0.036 119.134 119.300 -0.217 0.000 3.090 165 C HA 0.924 5.384 4.460 -0.000 0.000 0.347 165 C C -1.640 173.637 174.990 0.479 0.000 1.147 165 C CA -1.030 58.075 59.018 0.145 0.000 1.305 165 C CB 0.057 27.831 27.740 0.057 0.000 1.692 165 C HN 1.686 nan 8.230 nan 0.000 0.506 166 F N 2.802 122.895 119.950 0.237 0.000 2.678 166 F HA 0.715 5.242 4.527 -0.000 0.000 0.308 166 F C -0.722 175.189 175.800 0.185 0.000 1.118 166 F CA -0.714 57.425 58.000 0.232 0.000 0.959 166 F CB 1.011 40.197 39.000 0.309 0.000 1.305 166 F HN 0.521 nan 8.300 nan 0.000 0.443 167 E N 3.013 123.221 120.200 0.014 0.000 2.313 167 E HA 0.472 4.822 4.350 -0.000 0.000 0.272 167 E C -0.786 175.674 176.600 -0.233 0.000 1.038 167 E CA -0.456 55.884 56.400 -0.100 0.000 0.863 167 E CB 2.535 32.251 29.700 0.027 0.000 1.060 167 E HN 0.634 nan 8.360 nan 0.000 0.402 168 I N 1.347 121.788 120.570 -0.215 0.000 2.439 168 I HA 0.229 4.399 4.170 -0.000 0.000 0.283 168 I C 0.697 176.810 176.117 -0.005 0.000 1.023 168 I CA -0.757 60.422 61.300 -0.201 0.000 1.100 168 I CB 1.821 39.687 38.000 -0.224 0.000 1.238 168 I HN 0.415 nan 8.210 nan 0.000 0.445 169 G N 3.865 112.646 108.800 -0.033 0.000 2.554 169 G HA2 0.393 4.353 3.960 -0.000 0.000 0.238 169 G HA3 0.393 4.353 3.960 -0.000 0.000 0.238 169 G C 0.580 175.666 174.900 0.310 0.000 1.259 169 G CA -0.007 45.161 45.100 0.114 0.000 0.843 169 G HN 0.721 nan 8.290 nan 0.000 0.582 170 G N -1.016 107.992 108.800 0.346 0.000 2.486 170 G HA2 0.471 4.430 3.960 -0.000 0.000 0.272 170 G HA3 0.471 4.430 3.960 -0.000 0.000 0.272 170 G C -0.149 174.986 174.900 0.391 0.000 1.426 170 G CA -0.192 45.132 45.100 0.372 0.000 1.058 170 G HN 0.725 nan 8.290 nan 0.000 0.531 171 Q N -1.121 118.818 119.800 0.231 0.000 2.364 171 Q HA 0.258 4.597 4.340 -0.000 0.000 0.257 171 Q C -1.651 174.461 176.000 0.186 0.000 0.956 171 Q CA -0.635 55.289 55.803 0.201 0.000 0.924 171 Q CB 2.021 30.639 28.738 -0.199 0.000 1.413 171 Q HN 0.585 nan 8.270 nan 0.000 0.418 172 E N 1.702 121.943 120.200 0.069 0.000 2.289 172 E HA 0.127 4.476 4.350 -0.000 0.000 0.278 172 E C -0.174 176.477 176.600 0.086 0.000 1.032 172 E CA 0.440 56.748 56.400 -0.153 0.000 0.854 172 E CB 0.714 29.915 29.700 -0.832 0.000 1.046 172 E HN 0.641 nan 8.360 nan 0.000 0.409 173 H N 4.082 123.085 119.070 -0.111 0.000 2.321 173 H HA -0.030 4.525 4.556 -0.000 0.000 0.300 173 H C 0.085 175.261 175.328 -0.253 0.000 1.087 173 H CA 1.677 57.461 56.048 -0.439 0.000 1.319 173 H CB -0.271 29.049 29.762 -0.737 0.000 1.379 173 H HN 0.692 nan 8.280 nan 0.000 0.501 174 F N 0.575 120.261 119.950 -0.440 0.000 3.027 174 F HA -0.267 4.260 4.527 -0.000 0.000 0.276 174 F C -0.758 174.927 175.800 -0.192 0.000 0.967 174 F CA -0.468 57.338 58.000 -0.324 0.000 0.929 174 F CB -1.832 37.118 39.000 -0.083 0.000 0.873 174 F HN 0.149 nan 8.300 nan 0.000 0.787 175 Y N -0.011 120.316 120.300 0.045 0.000 2.717 175 Y HA 0.159 4.709 4.550 -0.000 0.000 0.330 175 Y C 1.113 176.917 175.900 -0.160 0.000 1.217 175 Y CA -1.093 57.070 58.100 0.105 0.000 1.506 175 Y CB 0.045 38.571 38.460 0.111 0.000 1.268 175 Y HN 0.146 nan 8.280 nan 0.000 0.561 176 L N 1.267 122.538 121.223 0.081 0.000 2.046 176 L HA -0.088 4.251 4.340 -0.000 0.000 0.208 176 L C 1.189 177.995 176.870 -0.107 0.000 1.077 176 L CA 1.446 56.234 54.840 -0.087 0.000 0.747 176 L CB -0.615 41.421 42.059 -0.038 0.000 0.896 176 L HN 0.867 nan 8.230 nan 0.000 0.432 177 E N 0.213 120.353 120.200 -0.099 0.000 2.194 177 E HA 0.286 4.636 4.350 -0.000 0.000 0.284 177 E C 0.156 176.701 176.600 -0.091 0.000 1.035 177 E CA -0.222 56.087 56.400 -0.152 0.000 0.836 177 E CB 1.129 30.671 29.700 -0.264 0.000 1.070 177 E HN 0.217 nan 8.360 nan 0.000 0.401 178 G N 3.183 111.952 108.800 -0.052 0.000 2.588 178 G HA2 0.009 3.969 3.960 -0.000 0.000 0.278 178 G HA3 0.009 3.969 3.960 -0.000 0.000 0.278 178 G C -0.125 174.633 174.900 -0.237 0.000 1.307 178 G CA -0.503 44.593 45.100 -0.008 0.000 1.016 178 G HN 0.543 nan 8.290 nan 0.000 0.503 179 Q N -0.508 119.178 119.800 -0.189 0.000 2.300 179 Q HA 0.447 4.786 4.340 -0.000 0.000 0.280 179 Q C 0.036 175.862 176.000 -0.290 0.000 1.033 179 Q CA 0.427 56.052 55.803 -0.297 0.000 0.903 179 Q CB 1.211 29.775 28.738 -0.290 0.000 1.195 179 Q HN 0.686 nan 8.270 nan 0.000 0.386 180 A N 1.055 123.726 122.820 -0.248 0.000 2.566 180 A HA 0.812 5.131 4.320 -0.000 0.000 0.297 180 A C -1.581 175.927 177.584 -0.127 0.000 1.059 180 A CA -0.041 51.892 52.037 -0.174 0.000 0.691 180 A CB 1.725 20.657 19.000 -0.113 0.000 1.282 180 A HN 0.700 nan 8.150 nan 0.000 0.401 181 A N 0.630 123.390 122.820 -0.100 0.000 2.572 181 A HA 0.855 5.175 4.320 -0.000 0.000 0.295 181 A C -1.795 175.768 177.584 -0.035 0.000 1.072 181 A CA -0.414 51.587 52.037 -0.059 0.000 0.691 181 A CB 1.527 20.486 19.000 -0.069 0.000 1.291 181 A HN 2.173 nan 8.150 nan 0.000 0.404 182 L N 1.045 122.267 121.223 -0.002 0.000 2.438 182 L HA 0.861 5.200 4.340 -0.000 0.000 0.270 182 L C -0.279 176.603 176.870 0.020 0.000 0.972 182 L CA -0.029 54.815 54.840 0.007 0.000 0.831 182 L CB 1.811 43.888 42.059 0.030 0.000 1.273 182 L HN 1.276 nan 8.230 nan 0.000 0.405 183 A N 5.796 128.610 122.820 -0.010 0.000 2.330 183 A HA 0.844 5.164 4.320 -0.000 0.000 0.327 183 A C -1.326 176.258 177.584 0.000 0.000 1.155 183 A CA -0.490 51.541 52.037 -0.011 0.000 0.803 183 A CB 0.889 19.867 19.000 -0.037 0.000 1.208 183 A HN 0.706 nan 8.150 nan 0.000 0.477 184 L N 3.981 125.213 121.223 0.014 0.000 2.377 184 L HA 0.372 4.712 4.340 -0.000 0.000 0.270 184 L C -2.381 174.492 176.870 0.004 0.000 0.991 184 L CA -1.969 52.881 54.840 0.017 0.000 0.851 184 L CB 2.382 44.473 42.059 0.053 0.000 1.218 184 L HN 0.480 nan 8.230 nan 0.000 0.420 185 P HA 0.054 nan 4.420 nan 0.000 0.264 185 P C -0.432 176.869 177.300 0.001 0.000 1.236 185 P CA 0.002 63.102 63.100 -0.001 0.000 0.811 185 P CB 0.900 32.602 31.700 0.003 0.000 0.840 186 A N 4.482 127.300 122.820 -0.002 0.000 2.801 186 A HA 0.294 4.613 4.320 -0.000 0.000 0.344 186 A C 0.458 178.038 177.584 -0.006 0.000 1.322 186 A CA -0.702 51.333 52.037 -0.003 0.000 0.913 186 A CB -0.556 18.441 19.000 -0.006 0.000 1.140 186 A HN 0.642 nan 8.150 nan 0.000 0.487 187 E N 0.801 120.999 120.200 -0.003 0.000 1.121 187 E HA -0.193 4.157 4.350 -0.000 0.000 0.340 187 E C 0.912 177.508 176.600 -0.006 0.000 1.411 187 E CA 0.644 57.042 56.400 -0.003 0.000 1.268 187 E CB -1.519 28.178 29.700 -0.006 0.000 0.516 187 E HN 2.043 nan 8.360 nan 0.000 0.350 188 G N 2.002 110.802 108.800 0.000 0.000 2.640 188 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.226 188 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.226 188 G C 0.575 175.478 174.900 0.005 0.000 1.222 188 G CA 0.266 45.367 45.100 0.002 0.000 0.729 188 G HN 1.391 nan 8.290 nan 0.000 0.516 189 G N -1.087 107.711 108.800 -0.003 0.000 3.175 189 G HA2 0.850 4.810 3.960 -0.000 0.000 0.255 189 G HA3 0.850 4.810 3.960 -0.000 0.000 0.255 189 G C -0.555 174.338 174.900 -0.012 0.000 1.352 189 G CA 0.478 45.576 45.100 -0.004 0.000 1.037 189 G HN 1.620 nan 8.290 nan 0.000 0.556 190 V N -2.391 117.509 119.914 -0.022 0.000 2.789 190 V HA 0.765 4.885 4.120 -0.000 0.000 0.311 190 V C -0.476 175.591 176.094 -0.045 0.000 1.073 190 V CA -1.052 61.230 62.300 -0.029 0.000 0.921 190 V CB 1.426 33.229 31.823 -0.033 0.000 1.009 190 V HN 0.531 nan 8.190 nan 0.000 0.426 191 V N 5.079 124.968 119.914 -0.041 0.000 2.407 191 V HA 0.495 4.615 4.120 -0.000 0.000 0.278 191 V C -0.198 175.840 176.094 -0.093 0.000 1.037 191 V CA -0.348 61.904 62.300 -0.080 0.000 0.900 191 V CB 1.335 33.126 31.823 -0.052 0.000 0.983 191 V HN 0.708 nan 8.190 nan 0.000 0.459 192 I N 4.735 125.204 120.570 -0.169 0.000 2.382 192 I HA 0.418 4.588 4.170 -0.000 0.000 0.286 192 I C -0.067 175.904 176.117 -0.243 0.000 1.002 192 I CA -0.396 60.821 61.300 -0.138 0.000 1.135 192 I CB 1.066 39.002 38.000 -0.107 0.000 1.288 192 I HN 0.580 nan 8.210 nan 0.000 0.448 193 H N 5.564 124.609 119.070 -0.041 0.000 2.467 193 H HA 0.594 5.150 4.556 -0.000 0.000 0.326 193 H C -0.200 175.102 175.328 -0.042 0.000 1.094 193 H CA -0.251 55.775 56.048 -0.037 0.000 1.253 193 H CB 2.333 32.077 29.762 -0.031 0.000 1.439 193 H HN 0.803 nan 8.280 nan 0.000 0.479 194 C N 0.729 120.061 119.300 0.053 0.000 3.307 194 C HA 0.329 4.789 4.460 -0.000 0.000 0.333 194 C C 0.447 175.431 174.990 -0.011 0.000 1.291 194 C CA -1.149 57.870 59.018 0.002 0.000 1.273 194 C CB 1.215 28.936 27.740 -0.033 0.000 1.580 194 C HN 0.723 nan 8.230 nan 0.000 0.481 195 S N 1.863 117.536 115.700 -0.044 0.000 3.530 195 S HA 0.549 5.018 4.470 -0.000 0.000 0.279 195 S C -0.029 174.513 174.600 -0.097 0.000 1.280 195 S CA 0.344 58.503 58.200 -0.067 0.000 0.946 195 S CB -0.906 62.226 63.200 -0.114 0.000 1.501 195 S HN 1.233 nan 8.310 nan 0.000 0.498 196 S N 3.080 118.746 115.700 -0.057 0.000 2.541 196 S HA 0.387 4.857 4.470 -0.000 0.000 0.280 196 S C 0.507 175.100 174.600 -0.012 0.000 1.112 196 S CA -0.639 57.535 58.200 -0.043 0.000 0.925 196 S CB 1.619 64.804 63.200 -0.025 0.000 1.067 196 S HN 0.715 nan 8.310 nan 0.000 0.479 197 Q N 1.418 121.218 119.800 0.001 0.000 2.389 197 Q HA 0.087 4.426 4.340 -0.000 0.000 0.204 197 Q C 0.091 176.149 176.000 0.095 0.000 0.944 197 Q CA 0.667 56.483 55.803 0.022 0.000 0.908 197 Q CB 0.109 28.848 28.738 0.003 0.000 1.002 197 Q HN 0.754 nan 8.270 nan 0.000 0.493 198 H N 0.263 119.326 119.070 -0.013 0.000 2.380 198 H HA 0.143 4.699 4.556 -0.000 0.000 0.231 198 H C -1.931 173.382 175.328 -0.024 0.000 1.415 198 H CA -2.244 53.799 56.048 -0.008 0.000 1.433 198 H CB 1.109 30.869 29.762 -0.003 0.000 1.544 198 H HN 0.008 nan 8.280 nan 0.000 0.503 199 P HA -0.138 nan 4.420 nan 0.000 0.218 199 P C 1.521 178.769 177.300 -0.087 0.000 1.148 199 P CA 0.898 63.986 63.100 -0.019 0.000 0.822 199 P CB 0.502 32.197 31.700 -0.007 0.000 0.784 200 S N -0.177 115.490 115.700 -0.055 0.000 2.382 200 S HA -0.177 4.293 4.470 -0.000 0.000 0.228 200 S C 2.036 176.445 174.600 -0.319 0.000 1.027 200 S CA 1.380 59.504 58.200 -0.126 0.000 0.991 200 S CB -0.593 62.621 63.200 0.023 0.000 0.823 200 S HN 0.357 nan 8.310 nan 0.000 0.469 201 E N 0.618 120.421 120.200 -0.662 0.000 2.072 201 E HA -0.092 4.258 4.350 -0.000 0.000 0.190 201 E C 1.880 178.316 176.600 -0.273 0.000 0.982 201 E CA 0.856 56.904 56.400 -0.586 0.000 0.803 201 E CB -0.062 29.121 29.700 -0.862 0.000 0.755 201 E HN 0.306 nan 8.360 nan 0.000 0.453 202 I N 1.693 122.130 120.570 -0.222 0.000 2.127 202 I HA -0.326 3.844 4.170 -0.000 0.000 0.241 202 I C 2.688 178.704 176.117 -0.169 0.000 1.075 202 I CA 1.679 62.897 61.300 -0.137 0.000 1.334 202 I CB -1.507 36.432 38.000 -0.101 0.000 1.040 202 I HN 0.421 nan 8.210 nan 0.000 0.405 203 Q N 0.485 120.155 119.800 -0.216 0.000 2.029 203 Q HA -0.329 4.010 4.340 -0.000 0.000 0.209 203 Q C 2.387 178.088 176.000 -0.498 0.000 0.999 203 Q CA 2.551 58.173 55.803 -0.301 0.000 0.857 203 Q CB -0.423 28.143 28.738 -0.287 0.000 0.926 203 Q HN 0.636 nan 8.270 nan 0.000 0.415 204 H N -0.078 118.564 119.070 -0.714 0.000 2.289 204 H HA -0.137 4.419 4.556 -0.000 0.000 0.296 204 H C 1.923 176.990 175.328 -0.434 0.000 1.091 204 H CA 2.212 57.711 56.048 -0.914 0.000 1.274 204 H CB 0.225 29.707 29.762 -0.467 0.000 1.364 204 H HN 0.084 nan 8.280 nan 0.000 0.490 205 K N 0.031 120.426 120.400 -0.009 0.000 2.057 205 K HA -0.051 4.268 4.320 -0.000 0.000 0.206 205 K C 2.386 178.970 176.600 -0.026 0.000 1.050 205 K CA 1.021 57.355 56.287 0.077 0.000 0.935 205 K CB -0.450 32.088 32.500 0.062 0.000 0.715 205 K HN 0.247 nan 8.250 nan 0.000 0.439 206 V N 1.712 121.564 119.914 -0.103 0.000 2.407 206 V HA -0.227 3.893 4.120 -0.000 0.000 0.248 206 V C 2.464 178.485 176.094 -0.123 0.000 1.055 206 V CA 1.846 64.089 62.300 -0.095 0.000 1.049 206 V CB -0.744 31.016 31.823 -0.106 0.000 0.662 206 V HN 0.266 nan 8.190 nan 0.000 0.455 207 A N -0.535 122.139 122.820 -0.242 0.000 1.883 207 A HA -0.291 4.029 4.320 -0.000 0.000 0.217 207 A C 1.990 179.453 177.584 -0.202 0.000 1.186 207 A CA 2.339 54.222 52.037 -0.258 0.000 0.624 207 A CB -0.890 17.869 19.000 -0.403 0.000 0.822 207 A HN 0.717 nan 8.150 nan 0.000 0.444 208 H N -0.920 118.096 119.070 -0.089 0.000 2.428 208 H HA 0.142 4.698 4.556 -0.000 0.000 0.296 208 H C 2.411 177.724 175.328 -0.024 0.000 1.062 208 H CA 0.864 56.875 56.048 -0.062 0.000 1.350 208 H CB 0.014 29.743 29.762 -0.054 0.000 1.403 208 H HN 0.555 nan 8.280 nan 0.000 0.533 209 A N 0.691 123.570 122.820 0.098 0.000 1.898 209 A HA -0.085 4.234 4.320 -0.000 0.000 0.216 209 A C 2.065 179.721 177.584 0.119 0.000 1.181 209 A CA 1.106 53.201 52.037 0.098 0.000 0.620 209 A CB -0.371 18.658 19.000 0.049 0.000 0.819 209 A HN 0.341 nan 8.150 nan 0.000 0.442 210 L N -1.375 119.876 121.223 0.046 0.000 2.529 210 L HA 0.190 4.530 4.340 -0.000 0.000 0.223 210 L C 1.442 178.276 176.870 -0.060 0.000 1.113 210 L CA 0.512 55.389 54.840 0.061 0.000 0.861 210 L CB -0.283 41.782 42.059 0.009 0.000 1.012 210 L HN 0.593 nan 8.230 nan 0.000 0.461 211 G N 1.562 110.179 108.800 -0.305 0.000 2.256 211 G HA2 -0.257 3.702 3.960 -0.000 0.000 0.272 211 G HA3 -0.257 3.702 3.960 -0.000 0.000 0.272 211 G C -0.300 174.415 174.900 -0.310 0.000 1.076 211 G CA 0.006 44.683 45.100 -0.705 0.000 0.882 211 G HN 0.237 nan 8.290 nan 0.000 0.497 212 L N -0.523 120.602 121.223 -0.163 0.000 2.341 212 L HA 0.849 5.189 4.340 -0.000 0.000 0.267 212 L C 0.921 177.752 176.870 -0.065 0.000 1.009 212 L CA -0.890 53.903 54.840 -0.079 0.000 0.819 212 L CB 1.907 43.946 42.059 -0.032 0.000 1.323 212 L HN 0.355 nan 8.230 nan 0.000 0.425 213 A N 0.621 123.405 122.820 -0.060 0.000 2.425 213 A HA 0.229 4.548 4.320 -0.000 0.000 0.242 213 A C 0.702 178.300 177.584 0.023 0.000 1.077 213 A CA -0.026 51.923 52.037 -0.146 0.000 0.781 213 A CB -0.027 18.719 19.000 -0.423 0.000 1.020 213 A HN 0.616 nan 8.150 nan 0.000 0.494 214 F N 0.829 120.604 119.950 -0.292 0.000 2.202 214 F HA -0.188 4.339 4.527 -0.000 0.000 0.301 214 F C 2.292 178.059 175.800 -0.055 0.000 1.082 214 F CA 2.091 59.977 58.000 -0.191 0.000 1.313 214 F CB -1.089 37.806 39.000 -0.175 0.000 1.024 214 F HN 0.890 nan 8.300 nan 0.000 0.495 215 H N -2.626 116.508 119.070 0.107 0.000 2.563 215 H HA 0.029 4.584 4.556 -0.000 0.000 0.272 215 H C 0.586 175.916 175.328 0.004 0.000 1.005 215 H CA 0.608 56.678 56.048 0.037 0.000 1.171 215 H CB -0.170 29.602 29.762 0.015 0.000 1.351 215 H HN 0.134 nan 8.280 nan 0.000 0.602 216 D N 1.210 121.795 120.400 0.308 0.000 2.398 216 D HA 0.128 4.768 4.640 -0.000 0.000 0.210 216 D C -0.222 176.098 176.300 0.033 0.000 1.094 216 D CA 0.111 54.192 54.000 0.134 0.000 0.839 216 D CB 1.201 42.085 40.800 0.140 0.000 0.963 216 D HN 0.161 nan 8.370 nan 0.000 0.506 217 V N 1.619 121.538 119.914 0.008 0.000 2.409 217 V HA 0.332 4.451 4.120 -0.000 0.000 0.291 217 V C 0.084 176.137 176.094 -0.068 0.000 1.020 217 V CA -0.834 61.431 62.300 -0.060 0.000 0.848 217 V CB 2.424 34.171 31.823 -0.126 0.000 0.990 217 V HN -0.108 nan 8.190 nan 0.000 0.430 218 R N 4.170 124.624 120.500 -0.076 0.000 2.343 218 R HA 0.717 5.057 4.340 -0.000 0.000 0.320 218 R C -1.800 174.420 176.300 -0.134 0.000 0.956 218 R CA -0.366 55.681 56.100 -0.089 0.000 0.836 218 R CB 1.882 32.137 30.300 -0.076 0.000 1.151 218 R HN 0.512 nan 8.270 nan 0.000 0.450 219 V N 4.632 124.466 119.914 -0.134 0.000 2.384 219 V HA 0.330 4.449 4.120 -0.000 0.000 0.287 219 V C -0.312 175.683 176.094 -0.165 0.000 1.020 219 V CA -0.664 61.541 62.300 -0.159 0.000 0.850 219 V CB 1.621 33.369 31.823 -0.124 0.000 0.987 219 V HN 0.798 nan 8.190 nan 0.000 0.436 220 E N 4.508 124.554 120.200 -0.258 0.000 2.195 220 E HA 0.735 5.084 4.350 -0.000 0.000 0.271 220 E C -0.760 175.783 176.600 -0.094 0.000 0.923 220 E CA -0.912 55.368 56.400 -0.200 0.000 0.790 220 E CB 2.384 31.897 29.700 -0.312 0.000 1.155 220 E HN 0.563 nan 8.360 nan 0.000 0.402 221 M N 2.636 122.225 119.600 -0.019 0.000 2.272 221 M HA 0.276 4.756 4.480 -0.000 0.000 0.240 221 M C -0.764 175.560 176.300 0.040 0.000 0.991 221 M CA -0.359 54.953 55.300 0.020 0.000 1.008 221 M CB 1.376 33.978 32.600 0.003 0.000 2.221 221 M HN 0.356 nan 8.290 nan 0.000 0.469 222 R N 3.441 123.974 120.500 0.055 0.000 2.055 222 R HA 0.440 4.779 4.340 -0.000 0.000 0.221 222 R C -0.138 176.216 176.300 0.089 0.000 1.154 222 R CA 1.973 58.107 56.100 0.058 0.000 0.975 222 R CB 0.430 30.744 30.300 0.023 0.000 0.869 222 R HN 0.766 nan 8.270 nan 0.000 0.437 223 R N -1.180 119.352 120.500 0.054 0.000 2.710 223 R HA 0.471 4.811 4.340 -0.000 0.000 0.270 223 R C -1.239 175.132 176.300 0.120 0.000 1.021 223 R CA -0.783 55.366 56.100 0.081 0.000 0.889 223 R CB 1.260 31.601 30.300 0.068 0.000 1.243 223 R HN 0.003 nan 8.270 nan 0.000 0.464 224 M N 0.871 120.545 119.600 0.124 0.000 2.456 224 M HA 0.371 4.851 4.480 -0.000 0.000 0.324 224 M C 0.473 176.853 176.300 0.133 0.000 1.124 224 M CA -0.749 54.611 55.300 0.100 0.000 0.959 224 M CB 2.431 35.013 32.600 -0.030 0.000 1.692 224 M HN 0.968 nan 8.290 nan 0.000 0.444 225 G N 1.890 110.709 108.800 0.032 0.000 3.197 225 G HA2 0.474 4.434 3.960 -0.000 0.000 0.257 225 G HA3 0.474 4.434 3.960 -0.000 0.000 0.257 225 G C 0.425 175.303 174.900 -0.036 0.000 0.835 225 G CA 0.326 45.341 45.100 -0.142 0.000 2.001 225 G HN 1.103 nan 8.290 nan 0.000 0.625 226 G N -1.036 107.741 108.800 -0.038 0.000 2.705 226 G HA2 0.333 4.293 3.960 -0.000 0.000 0.686 226 G HA3 0.333 4.293 3.960 -0.000 0.000 0.686 226 G C 0.602 175.442 174.900 -0.100 0.000 1.285 226 G CA -0.304 44.744 45.100 -0.086 0.000 0.800 226 G HN 1.288 nan 8.290 nan 0.000 0.611 227 G N -0.822 107.779 108.800 -0.332 0.000 2.570 227 G HA2 0.529 4.488 3.960 -0.000 0.000 0.213 227 G HA3 0.529 4.488 3.960 -0.000 0.000 0.213 227 G C 0.811 175.753 174.900 0.069 0.000 1.391 227 G CA 0.809 45.845 45.100 -0.107 0.000 0.533 227 G HN 1.740 nan 8.290 nan 0.000 1.072 228 F N 0.895 120.867 119.950 0.036 0.000 3.093 228 F HA -0.184 4.343 4.527 -0.000 0.000 0.283 228 F C 1.958 177.757 175.800 -0.001 0.000 0.848 228 F CA 1.120 59.135 58.000 0.025 0.000 1.059 228 F CB -1.525 37.474 39.000 -0.001 0.000 1.191 228 F HN 1.169 nan 8.300 nan 0.000 0.514 229 G N -1.217 107.633 108.800 0.083 0.000 2.234 229 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.235 229 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.235 229 G C 1.125 175.990 174.900 -0.059 0.000 0.997 229 G CA 0.086 45.247 45.100 0.102 0.000 0.623 229 G HN 1.259 nan 8.290 nan 0.000 0.514 230 G N -0.120 108.406 108.800 -0.457 0.000 2.848 230 G HA2 0.285 4.245 3.960 -0.000 0.000 0.208 230 G HA3 0.285 4.245 3.960 -0.000 0.000 0.208 230 G C 1.070 175.832 174.900 -0.231 0.000 1.152 230 G CA 1.189 45.807 45.100 -0.802 0.000 0.789 230 G HN 0.500 nan 8.290 nan 0.000 0.531 231 K N -0.202 120.109 120.400 -0.147 0.000 2.537 231 K HA 0.184 4.503 4.320 -0.000 0.000 0.206 231 K C 1.314 177.900 176.600 -0.024 0.000 1.041 231 K CA -0.111 56.108 56.287 -0.114 0.000 1.090 231 K CB 0.757 33.148 32.500 -0.182 0.000 0.833 231 K HN 0.320 nan 8.250 nan 0.000 0.493 232 E N 0.649 120.861 120.200 0.019 0.000 2.216 232 E HA -0.099 4.251 4.350 -0.000 0.000 0.192 232 E C 1.204 177.883 176.600 0.132 0.000 0.988 232 E CA 1.477 57.933 56.400 0.093 0.000 0.834 232 E CB 0.398 30.173 29.700 0.125 0.000 0.772 232 E HN 0.210 nan 8.360 nan 0.000 0.479 233 S N -1.731 114.024 115.700 0.092 0.000 2.560 233 S HA 0.079 4.549 4.470 -0.000 0.000 0.281 233 S C 1.347 176.006 174.600 0.098 0.000 1.075 233 S CA -0.605 57.653 58.200 0.098 0.000 1.295 233 S CB 0.076 63.338 63.200 0.103 0.000 1.156 233 S HN 0.042 nan 8.310 nan 0.000 0.627 234 Q N 1.642 121.484 119.800 0.071 0.000 2.472 234 Q HA 0.231 4.570 4.340 -0.000 0.000 0.208 234 Q C 1.787 177.851 176.000 0.105 0.000 0.958 234 Q CA 1.131 56.990 55.803 0.093 0.000 0.932 234 Q CB -0.538 28.242 28.738 0.070 0.000 1.007 234 Q HN 0.712 nan 8.270 nan 0.000 0.508 235 G N 1.057 109.889 108.800 0.052 0.000 2.464 235 G HA2 -0.205 3.754 3.960 -0.000 0.000 0.217 235 G HA3 -0.205 3.754 3.960 -0.000 0.000 0.217 235 G C 1.225 176.170 174.900 0.075 0.000 1.138 235 G CA 0.267 45.377 45.100 0.017 0.000 0.793 235 G HN 0.404 nan 8.290 nan 0.000 0.539 236 N N 0.147 118.916 118.700 0.116 0.000 2.096 236 N HA -0.215 4.524 4.740 -0.000 0.000 0.195 236 N C 1.896 177.494 175.510 0.146 0.000 1.017 236 N CA 1.474 54.590 53.050 0.110 0.000 0.870 236 N CB -0.264 38.291 38.487 0.114 0.000 1.024 236 N HN 0.372 nan 8.380 nan 0.000 0.434 237 H N -0.027 119.126 119.070 0.137 0.000 2.319 237 H HA -0.057 4.499 4.556 -0.000 0.000 0.299 237 H C 1.865 177.366 175.328 0.288 0.000 1.092 237 H CA 1.202 57.393 56.048 0.239 0.000 1.302 237 H CB -0.212 29.737 29.762 0.311 0.000 1.373 237 H HN 0.118 nan 8.280 nan 0.000 0.497 238 L N -0.322 121.065 121.223 0.273 0.000 2.072 238 L HA -0.029 4.311 4.340 -0.000 0.000 0.205 238 L C 2.654 179.534 176.870 0.018 0.000 1.079 238 L CA 1.425 56.312 54.840 0.078 0.000 0.752 238 L CB -0.747 41.225 42.059 -0.144 0.000 0.906 238 L HN 0.272 nan 8.230 nan 0.000 0.436 239 A N -0.215 122.613 122.820 0.013 0.000 1.933 239 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 239 A C 2.324 179.898 177.584 -0.015 0.000 1.175 239 A CA 1.590 53.617 52.037 -0.017 0.000 0.628 239 A CB -0.719 18.264 19.000 -0.028 0.000 0.814 239 A HN 0.353 nan 8.150 nan 0.000 0.444 240 I N -0.340 120.238 120.570 0.014 0.000 2.163 240 I HA -0.245 3.925 4.170 -0.000 0.000 0.240 240 I C 3.008 179.122 176.117 -0.005 0.000 1.081 240 I CA 1.005 62.309 61.300 0.006 0.000 1.353 240 I CB -0.404 37.603 38.000 0.011 0.000 1.054 240 I HN 0.335 nan 8.210 nan 0.000 0.407 241 A N -0.027 122.821 122.820 0.046 0.000 1.917 241 A HA -0.292 4.028 4.320 -0.000 0.000 0.219 241 A C 2.459 179.962 177.584 -0.134 0.000 1.182 241 A CA 2.233 54.257 52.037 -0.021 0.000 0.633 241 A CB -1.390 17.605 19.000 -0.009 0.000 0.819 241 A HN 0.569 nan 8.150 nan 0.000 0.448 242 C N -1.429 117.814 119.300 -0.096 0.000 2.436 242 C HA 0.083 4.542 4.460 -0.000 0.000 0.277 242 C C 3.378 178.308 174.990 -0.100 0.000 1.241 242 C CA 0.874 59.831 59.018 -0.102 0.000 1.721 242 C CB -1.329 26.367 27.740 -0.073 0.000 2.043 242 C HN 0.720 nan 8.230 nan 0.000 0.472 243 A N 0.075 122.849 122.820 -0.077 0.000 1.902 243 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 243 A C 2.264 179.803 177.584 -0.075 0.000 1.181 243 A CA 2.151 54.151 52.037 -0.063 0.000 0.623 243 A CB -0.751 18.220 19.000 -0.048 0.000 0.818 243 A HN 0.374 nan 8.150 nan 0.000 0.443 244 V N -0.174 119.673 119.914 -0.112 0.000 2.295 244 V HA -0.243 3.876 4.120 -0.000 0.000 0.246 244 V C 3.057 178.993 176.094 -0.263 0.000 1.049 244 V CA 2.000 64.209 62.300 -0.152 0.000 1.024 244 V CB -1.241 30.473 31.823 -0.182 0.000 0.648 244 V HN 0.614 nan 8.190 nan 0.000 0.447 245 A N -0.081 122.493 122.820 -0.409 0.000 1.898 245 A HA -0.077 4.243 4.320 -0.000 0.000 0.216 245 A C 2.427 179.969 177.584 -0.070 0.000 1.181 245 A CA 1.985 53.792 52.037 -0.382 0.000 0.620 245 A CB -0.789 18.006 19.000 -0.342 0.000 0.819 245 A HN 0.564 nan 8.150 nan 0.000 0.442 246 A N -0.233 122.545 122.820 -0.071 0.000 1.908 246 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 246 A C 2.248 179.836 177.584 0.007 0.000 1.181 246 A CA 1.868 53.891 52.037 -0.023 0.000 0.627 246 A CB -0.497 18.483 19.000 -0.033 0.000 0.818 246 A HN 0.562 nan 8.150 nan 0.000 0.445 247 R N -0.538 119.965 120.500 0.005 0.000 2.073 247 R HA -0.080 4.259 4.340 -0.000 0.000 0.234 247 R C 2.282 178.624 176.300 0.070 0.000 1.134 247 R CA 1.500 57.620 56.100 0.034 0.000 0.952 247 R CB -0.380 29.943 30.300 0.038 0.000 0.850 247 R HN 0.440 nan 8.270 nan 0.000 0.433 248 A N -0.328 122.559 122.820 0.111 0.000 1.929 248 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 248 A C 2.096 179.778 177.584 0.164 0.000 1.176 248 A CA 1.786 53.940 52.037 0.195 0.000 0.628 248 A CB -0.562 18.698 19.000 0.433 0.000 0.816 248 A HN 0.616 nan 8.150 nan 0.000 0.444 249 T N -4.944 109.701 114.554 0.153 0.000 3.051 249 T HA 0.390 4.740 4.350 -0.000 0.000 0.255 249 T C 1.492 176.230 174.700 0.063 0.000 1.085 249 T CA 1.150 63.317 62.100 0.112 0.000 1.109 249 T CB 0.068 69.009 68.868 0.120 0.000 0.921 249 T HN 1.658 nan 8.240 nan 0.000 0.488 250 G N 2.591 111.422 108.800 0.052 0.000 2.143 250 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.249 250 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.249 250 G C 0.089 175.001 174.900 0.020 0.000 0.981 250 G CA 0.211 45.331 45.100 0.032 0.000 0.665 250 G HN 0.955 nan 8.290 nan 0.000 0.528 251 R N -1.212 119.298 120.500 0.017 0.000 2.888 251 R HA 0.695 5.035 4.340 -0.000 0.000 0.264 251 R C -3.283 173.009 176.300 -0.014 0.000 1.045 251 R CA -2.330 53.771 56.100 0.002 0.000 0.962 251 R CB 0.778 31.079 30.300 0.001 0.000 1.210 251 R HN 0.022 nan 8.270 nan 0.000 0.479 252 P HA 0.078 nan 4.420 nan 0.000 0.268 252 P C -0.710 176.542 177.300 -0.080 0.000 1.205 252 P CA -0.256 62.817 63.100 -0.044 0.000 0.771 252 P CB 0.467 32.140 31.700 -0.046 0.000 0.858 253 C N 3.819 123.070 119.300 -0.082 0.000 2.441 253 C HA 0.492 4.952 4.460 -0.000 0.000 0.318 253 C C 0.164 175.086 174.990 -0.113 0.000 1.222 253 C CA -0.371 58.580 59.018 -0.112 0.000 1.474 253 C CB 0.916 28.604 27.740 -0.087 0.000 2.125 253 C HN 0.520 nan 8.230 nan 0.000 0.479 254 K N 3.352 123.658 120.400 -0.158 0.000 2.259 254 K HA 0.777 5.097 4.320 -0.000 0.000 0.252 254 K C -1.179 175.417 176.600 -0.007 0.000 0.936 254 K CA -0.414 55.828 56.287 -0.075 0.000 0.810 254 K CB 1.560 34.030 32.500 -0.051 0.000 1.143 254 K HN 0.851 nan 8.250 nan 0.000 0.427 255 M N 4.580 124.169 119.600 -0.018 0.000 2.267 255 M HA 0.413 4.893 4.480 -0.000 0.000 0.289 255 M C -1.846 174.422 176.300 -0.054 0.000 1.043 255 M CA -0.570 54.719 55.300 -0.018 0.000 0.928 255 M CB 1.608 34.139 32.600 -0.115 0.000 1.613 255 M HN 0.657 nan 8.290 nan 0.000 0.450 256 R N 3.650 124.160 120.500 0.016 0.000 2.574 256 R HA 0.445 4.784 4.340 -0.000 0.000 0.288 256 R C -1.946 174.453 176.300 0.165 0.000 1.004 256 R CA -0.787 55.294 56.100 -0.032 0.000 0.895 256 R CB 1.080 31.328 30.300 -0.086 0.000 1.191 256 R HN 0.667 nan 8.270 nan 0.000 0.444 257 Y N 1.418 121.775 120.300 0.096 0.000 2.465 257 Y HA -0.002 4.548 4.550 -0.000 0.000 0.331 257 Y C 0.639 176.618 175.900 0.132 0.000 1.102 257 Y CA -0.575 57.607 58.100 0.137 0.000 1.358 257 Y CB 0.928 39.471 38.460 0.138 0.000 1.213 257 Y HN 0.667 nan 8.280 nan 0.000 0.525 258 D N 2.213 122.815 120.400 0.336 0.000 2.399 258 D HA -0.011 4.629 4.640 -0.000 0.000 0.241 258 D C 1.270 177.680 176.300 0.182 0.000 1.133 258 D CA -0.056 54.084 54.000 0.233 0.000 0.890 258 D CB 0.974 41.900 40.800 0.210 0.000 1.201 258 D HN 0.435 nan 8.370 nan 0.000 0.432 259 R N 1.772 122.355 120.500 0.140 0.000 2.119 259 R HA -0.194 4.145 4.340 -0.000 0.000 0.246 259 R C 1.042 177.423 176.300 0.135 0.000 1.146 259 R CA 2.045 58.218 56.100 0.121 0.000 0.962 259 R CB -0.286 30.075 30.300 0.101 0.000 0.863 259 R HN 0.564 nan 8.270 nan 0.000 0.442 260 D N -0.237 120.250 120.400 0.145 0.000 2.097 260 D HA -0.116 4.524 4.640 -0.000 0.000 0.197 260 D C 1.408 177.773 176.300 0.108 0.000 0.984 260 D CA 1.506 55.621 54.000 0.191 0.000 0.826 260 D CB -0.365 40.567 40.800 0.220 0.000 0.973 260 D HN 0.243 nan 8.370 nan 0.000 0.460 261 D N 0.396 120.831 120.400 0.059 0.000 2.104 261 D HA -0.153 4.487 4.640 -0.000 0.000 0.194 261 D C 1.661 177.877 176.300 -0.140 0.000 0.994 261 D CA 0.852 54.821 54.000 -0.051 0.000 0.830 261 D CB -0.402 40.378 40.800 -0.033 0.000 0.959 261 D HN 0.126 nan 8.370 nan 0.000 0.452 262 D N -0.048 120.349 120.400 -0.004 0.000 2.133 262 D HA -0.160 4.480 4.640 -0.000 0.000 0.192 262 D C 2.030 178.365 176.300 0.060 0.000 1.001 262 D CA 0.984 55.043 54.000 0.097 0.000 0.844 262 D CB -0.061 40.904 40.800 0.276 0.000 0.944 262 D HN 0.214 nan 8.370 nan 0.000 0.447 263 M N -0.427 119.211 119.600 0.062 0.000 2.288 263 M HA -0.086 4.394 4.480 -0.000 0.000 0.266 263 M C 2.288 178.617 176.300 0.048 0.000 1.072 263 M CA 0.428 55.757 55.300 0.048 0.000 1.132 263 M CB 0.213 32.846 32.600 0.055 0.000 1.386 263 M HN -0.076 nan 8.290 nan 0.000 0.432 264 V N 0.620 120.553 119.914 0.031 0.000 2.323 264 V HA -0.205 3.915 4.120 -0.000 0.000 0.244 264 V C 2.173 178.345 176.094 0.131 0.000 1.041 264 V CA 1.505 63.831 62.300 0.042 0.000 1.025 264 V CB -0.447 31.341 31.823 -0.058 0.000 0.656 264 V HN 0.361 nan 8.190 nan 0.000 0.451 265 I N 0.533 121.101 120.570 -0.002 0.000 2.133 265 I HA -0.115 4.055 4.170 -0.000 0.000 0.238 265 I C 1.591 177.760 176.117 0.086 0.000 1.074 265 I CA 1.446 62.752 61.300 0.010 0.000 1.342 265 I CB -0.581 37.205 38.000 -0.358 0.000 1.053 265 I HN 0.455 nan 8.210 nan 0.000 0.404 266 T N -0.446 114.140 114.554 0.053 0.000 2.849 266 T HA 0.489 4.839 4.350 -0.000 0.000 0.284 266 T C 0.311 175.049 174.700 0.064 0.000 1.004 266 T CA -0.500 61.651 62.100 0.085 0.000 1.021 266 T CB 1.307 70.281 68.868 0.177 0.000 1.013 266 T HN 0.261 nan 8.240 nan 0.000 0.527 267 G N 0.533 109.362 108.800 0.048 0.000 2.547 267 G HA2 0.596 4.556 3.960 -0.000 0.000 0.291 267 G HA3 0.596 4.556 3.960 -0.000 0.000 0.291 267 G C -0.657 174.313 174.900 0.116 0.000 1.211 267 G CA -0.910 44.210 45.100 0.033 0.000 0.950 267 G HN 0.788 nan 8.290 nan 0.000 0.504 268 K N -1.192 119.265 120.400 0.094 0.000 2.208 268 K HA 0.455 4.775 4.320 -0.000 0.000 0.241 268 K C 0.056 176.716 176.600 0.099 0.000 1.087 268 K CA -0.913 55.463 56.287 0.148 0.000 0.883 268 K CB 1.324 33.905 32.500 0.136 0.000 1.360 268 K HN 0.408 nan 8.250 nan 0.000 0.496 269 R N 1.283 121.861 120.500 0.130 0.000 2.489 269 R HA 0.048 4.387 4.340 -0.000 0.000 0.287 269 R C -0.783 175.565 176.300 0.080 0.000 1.053 269 R CA -0.078 56.066 56.100 0.074 0.000 1.036 269 R CB 0.046 30.254 30.300 -0.154 0.000 0.966 269 R HN 0.517 nan 8.270 nan 0.000 0.432 270 H N 2.935 122.054 119.070 0.083 0.000 3.145 270 H HA -0.060 4.496 4.556 -0.000 0.000 0.288 270 H C -0.245 175.230 175.328 0.245 0.000 0.969 270 H CA 0.727 56.838 56.048 0.107 0.000 1.444 270 H CB 0.129 29.948 29.762 0.095 0.000 1.500 270 H HN 0.504 nan 8.280 nan 0.000 0.552 271 D N 3.660 124.210 120.400 0.250 0.000 2.350 271 D HA 0.097 4.737 4.640 -0.000 0.000 0.249 271 D C -0.221 176.188 176.300 0.182 0.000 1.119 271 D CA -0.117 54.047 54.000 0.275 0.000 0.886 271 D CB 0.878 41.800 40.800 0.203 0.000 1.195 271 D HN 0.269 nan 8.370 nan 0.000 0.437 272 F N 0.121 120.090 119.950 0.031 0.000 2.538 272 F HA 0.413 4.940 4.527 -0.000 0.000 0.325 272 F C 0.842 176.594 175.800 -0.080 0.000 1.066 272 F CA -1.189 56.796 58.000 -0.026 0.000 0.946 272 F CB 2.403 41.357 39.000 -0.077 0.000 1.199 272 F HN 0.102 nan 8.300 nan 0.000 0.473 273 R N 3.149 123.708 120.500 0.100 0.000 2.494 273 R HA 0.666 5.006 4.340 -0.000 0.000 0.305 273 R C -1.691 174.690 176.300 0.135 0.000 0.959 273 R CA -0.478 55.643 56.100 0.035 0.000 0.864 273 R CB 1.183 31.496 30.300 0.021 0.000 1.159 273 R HN 0.691 nan 8.270 nan 0.000 0.446 274 I N 4.145 124.764 120.570 0.081 0.000 2.418 274 I HA 0.389 4.559 4.170 -0.000 0.000 0.287 274 I C -0.160 176.183 176.117 0.378 0.000 1.008 274 I CA -0.786 60.704 61.300 0.317 0.000 1.104 274 I CB 1.973 40.209 38.000 0.393 0.000 1.264 274 I HN 0.434 nan 8.210 nan 0.000 0.438 275 R N 6.407 127.091 120.500 0.307 0.000 2.294 275 R HA 0.487 4.827 4.340 -0.000 0.000 0.319 275 R C -1.574 174.849 176.300 0.204 0.000 0.984 275 R CA -0.506 55.690 56.100 0.159 0.000 0.861 275 R CB 1.083 31.416 30.300 0.054 0.000 1.104 275 R HN 0.566 nan 8.270 nan 0.000 0.451 276 Y N 0.544 120.902 120.300 0.098 0.000 2.485 276 Y HA 0.622 5.172 4.550 -0.000 0.000 0.345 276 Y C -0.934 174.839 175.900 -0.211 0.000 0.998 276 Y CA -1.332 56.712 58.100 -0.094 0.000 1.059 276 Y CB 1.460 39.919 38.460 -0.001 0.000 1.234 276 Y HN 0.334 nan 8.280 nan 0.000 0.461 277 R N 4.026 124.428 120.500 -0.164 0.000 2.473 277 R HA 0.584 4.924 4.340 -0.000 0.000 0.303 277 R C -1.786 174.398 176.300 -0.194 0.000 1.002 277 R CA -0.643 55.358 56.100 -0.165 0.000 0.884 277 R CB 2.220 32.422 30.300 -0.163 0.000 1.173 277 R HN 0.943 nan 8.270 nan 0.000 0.464 278 I N 1.207 121.702 120.570 -0.126 0.000 2.509 278 I HA 0.660 4.830 4.170 -0.000 0.000 0.293 278 I C -0.570 175.487 176.117 -0.100 0.000 1.020 278 I CA -0.463 60.750 61.300 -0.145 0.000 1.088 278 I CB 2.033 39.944 38.000 -0.147 0.000 1.267 278 I HN 0.687 nan 8.210 nan 0.000 0.430 279 G N 5.180 113.926 108.800 -0.090 0.000 2.591 279 G HA2 0.812 4.772 3.960 -0.000 0.000 0.306 279 G HA3 0.812 4.772 3.960 -0.000 0.000 0.306 279 G C -1.643 173.233 174.900 -0.041 0.000 1.334 279 G CA -0.406 44.661 45.100 -0.056 0.000 0.981 279 G HN 0.862 nan 8.290 nan 0.000 0.491 280 A N 1.044 123.864 122.820 -0.001 0.000 2.486 280 A HA 0.827 5.146 4.320 -0.000 0.000 0.289 280 A C -0.480 177.129 177.584 0.042 0.000 1.176 280 A CA -0.689 51.356 52.037 0.014 0.000 0.757 280 A CB 1.555 20.564 19.000 0.015 0.000 1.337 280 A HN 0.604 nan 8.150 nan 0.000 0.423 281 D N -0.718 119.708 120.400 0.044 0.000 2.447 281 D HA 0.464 5.104 4.640 -0.000 0.000 0.265 281 D C 1.356 177.713 176.300 0.096 0.000 1.250 281 D CA 0.531 54.557 54.000 0.044 0.000 1.046 281 D CB 1.620 42.438 40.800 0.029 0.000 1.095 281 D HN 0.437 nan 8.370 nan 0.000 0.555 282 A N -0.080 122.777 122.820 0.061 0.000 1.970 282 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 282 A C 2.055 179.683 177.584 0.073 0.000 1.170 282 A CA 1.742 53.829 52.037 0.083 0.000 0.645 282 A CB -0.481 18.540 19.000 0.035 0.000 0.816 282 A HN 0.520 nan 8.150 nan 0.000 0.447 283 S N -1.898 113.827 115.700 0.042 0.000 2.461 283 S HA 0.325 4.795 4.470 -0.000 0.000 0.228 283 S C 1.482 176.089 174.600 0.012 0.000 1.005 283 S CA 1.292 59.507 58.200 0.024 0.000 0.942 283 S CB -0.204 63.007 63.200 0.017 0.000 0.776 283 S HN 1.854 nan 8.310 nan 0.000 0.514 284 G N 0.591 109.401 108.800 0.017 0.000 2.168 284 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.197 284 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.197 284 G C -0.124 174.760 174.900 -0.027 0.000 0.997 284 G CA -0.277 44.814 45.100 -0.015 0.000 0.658 284 G HN 0.418 nan 8.290 nan 0.000 0.513 285 K N 0.759 121.156 120.400 -0.006 0.000 2.298 285 K HA 0.398 4.718 4.320 -0.000 0.000 0.280 285 K C 1.048 177.641 176.600 -0.012 0.000 1.032 285 K CA -0.376 55.910 56.287 -0.002 0.000 0.958 285 K CB 1.092 33.608 32.500 0.027 0.000 0.978 285 K HN 0.329 nan 8.250 nan 0.000 0.472 286 L N 4.097 125.301 121.223 -0.031 0.000 2.490 286 L HA -0.024 4.316 4.340 -0.000 0.000 0.274 286 L C 1.655 178.499 176.870 -0.042 0.000 1.201 286 L CA 0.047 54.854 54.840 -0.055 0.000 0.869 286 L CB 0.134 42.142 42.059 -0.086 0.000 1.123 286 L HN 0.511 nan 8.230 nan 0.000 0.484 287 L N 2.351 123.546 121.223 -0.047 0.000 2.388 287 L HA 0.367 4.706 4.340 -0.000 0.000 0.209 287 L C 0.868 177.699 176.870 -0.066 0.000 1.061 287 L CA 0.305 55.119 54.840 -0.043 0.000 0.834 287 L CB 0.250 42.291 42.059 -0.030 0.000 1.029 287 L HN 0.771 nan 8.230 nan 0.000 0.473 288 G N -0.615 108.138 108.800 -0.078 0.000 2.655 288 G HA2 0.616 4.576 3.960 -0.000 0.000 0.296 288 G HA3 0.616 4.576 3.960 -0.000 0.000 0.296 288 G C -2.045 172.786 174.900 -0.115 0.000 1.485 288 G CA 0.069 45.117 45.100 -0.087 0.000 0.869 288 G HN 0.021 nan 8.290 nan 0.000 0.540 289 A N 0.880 123.623 122.820 -0.129 0.000 2.353 289 A HA 0.727 5.047 4.320 -0.000 0.000 0.299 289 A C -1.490 175.899 177.584 -0.325 0.000 1.089 289 A CA -0.531 51.347 52.037 -0.266 0.000 0.736 289 A CB 1.976 20.875 19.000 -0.168 0.000 1.195 289 A HN 0.602 nan 8.150 nan 0.000 0.447 290 D N 1.754 121.892 120.400 -0.437 0.000 2.344 290 D HA 0.659 5.299 4.640 -0.000 0.000 0.239 290 D C -1.192 174.848 176.300 -0.432 0.000 1.064 290 D CA 0.173 53.996 54.000 -0.294 0.000 0.829 290 D CB 0.437 41.143 40.800 -0.156 0.000 1.129 290 D HN 0.265 nan 8.370 nan 0.000 0.506 291 F N 2.118 122.060 119.950 -0.014 0.000 2.522 291 F HA 0.584 5.111 4.527 -0.000 0.000 0.324 291 F C -0.108 175.635 175.800 -0.095 0.000 1.077 291 F CA -1.048 56.926 58.000 -0.043 0.000 0.944 291 F CB 2.029 40.938 39.000 -0.151 0.000 1.175 291 F HN -0.021 nan 8.300 nan 0.000 0.468 292 V N 1.921 121.938 119.914 0.172 0.000 2.483 292 V HA 0.299 4.419 4.120 -0.000 0.000 0.297 292 V C -0.918 175.313 176.094 0.228 0.000 1.027 292 V CA -0.811 61.571 62.300 0.137 0.000 0.855 292 V CB 1.539 33.447 31.823 0.143 0.000 0.995 292 V HN 0.722 nan 8.190 nan 0.000 0.424 293 H N 5.407 124.640 119.070 0.271 0.000 2.556 293 H HA 0.540 5.095 4.556 -0.000 0.000 0.310 293 H C -0.643 174.802 175.328 0.194 0.000 1.057 293 H CA -0.654 55.573 56.048 0.298 0.000 1.264 293 H CB 1.265 31.256 29.762 0.381 0.000 1.404 293 H HN 0.448 nan 8.280 nan 0.000 0.462 294 L N 3.598 124.947 121.223 0.210 0.000 2.283 294 L HA 0.470 4.810 4.340 -0.000 0.000 0.281 294 L C 0.021 176.753 176.870 -0.230 0.000 1.033 294 L CA -0.627 54.218 54.840 0.009 0.000 0.848 294 L CB 0.832 42.874 42.059 -0.029 0.000 1.226 294 L HN 0.600 nan 8.230 nan 0.000 0.429 295 A N 4.124 126.708 122.820 -0.393 0.000 2.292 295 A HA 0.554 4.874 4.320 -0.000 0.000 0.319 295 A C -0.260 177.139 177.584 -0.307 0.000 1.206 295 A CA -0.636 50.947 52.037 -0.757 0.000 0.835 295 A CB 0.904 19.263 19.000 -1.068 0.000 1.164 295 A HN 0.701 nan 8.150 nan 0.000 0.505 296 R N 2.470 122.828 120.500 -0.236 0.000 2.202 296 R HA 0.323 4.663 4.340 -0.000 0.000 0.334 296 R C -0.287 176.010 176.300 -0.005 0.000 1.036 296 R CA -0.249 55.789 56.100 -0.103 0.000 0.878 296 R CB 0.536 30.760 30.300 -0.127 0.000 1.067 296 R HN 0.858 nan 8.270 nan 0.000 0.457 297 C N 2.676 122.016 119.300 0.066 0.000 2.700 297 C HA 0.374 4.834 4.460 -0.000 0.000 0.297 297 C C 1.123 176.110 174.990 -0.005 0.000 1.293 297 C CA 0.431 59.524 59.018 0.124 0.000 1.756 297 C CB -0.557 27.320 27.740 0.229 0.000 2.210 297 C HN 1.088 nan 8.230 nan 0.000 0.553 298 G N 0.745 109.568 108.800 0.038 0.000 2.610 298 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.304 298 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.304 298 G C 0.287 175.286 174.900 0.165 0.000 1.309 298 G CA 0.038 45.158 45.100 0.033 0.000 0.906 298 G HN 0.582 nan 8.290 nan 0.000 0.521 299 W N 0.613 121.908 121.300 -0.009 0.000 2.595 299 W HA 0.387 5.047 4.660 -0.000 0.000 0.257 299 W C 0.657 177.269 176.519 0.154 0.000 1.267 299 W CA 1.324 58.713 57.345 0.073 0.000 1.300 299 W CB -1.156 28.365 29.460 0.102 0.000 1.120 299 W HN 1.478 nan 8.180 nan 0.000 0.618 300 S N -1.537 113.810 115.700 -0.588 0.000 2.556 300 S HA 0.665 5.135 4.470 -0.000 0.000 0.271 300 S C 0.657 174.881 174.600 -0.626 0.000 1.135 300 S CA -0.246 57.594 58.200 -0.599 0.000 0.858 300 S CB 1.800 64.223 63.200 -1.294 0.000 1.114 300 S HN 0.127 nan 8.310 nan 0.000 0.468 301 A N 1.677 124.043 122.820 -0.756 0.000 1.873 301 A HA -0.038 4.281 4.320 -0.000 0.000 0.218 301 A C 1.262 178.511 177.584 -0.557 0.000 1.193 301 A CA 2.495 53.917 52.037 -1.025 0.000 0.629 301 A CB -1.913 16.711 19.000 -0.627 0.000 0.826 301 A HN 1.388 nan 8.150 nan 0.000 0.447 302 D N -2.261 117.925 120.400 -0.356 0.000 3.740 302 D HA -0.249 4.390 4.640 -0.000 0.000 0.147 302 D C 0.274 176.509 176.300 -0.107 0.000 0.885 302 D CA 2.302 56.190 54.000 -0.187 0.000 1.051 302 D CB -1.120 39.581 40.800 -0.164 0.000 0.480 302 D HN 0.241 nan 8.370 nan 0.000 0.469 303 L N 0.426 121.632 121.223 -0.029 0.000 3.017 303 L HA 0.336 4.676 4.340 -0.000 0.000 0.255 303 L C 1.572 178.418 176.870 -0.040 0.000 1.247 303 L CA -0.109 54.758 54.840 0.044 0.000 1.038 303 L CB 0.412 42.580 42.059 0.182 0.000 1.380 303 L HN 0.150 nan 8.230 nan 0.000 0.548 304 S N 0.272 115.908 115.700 -0.107 0.000 2.382 304 S HA -0.176 4.294 4.470 -0.000 0.000 0.228 304 S C 1.855 176.322 174.600 -0.223 0.000 1.027 304 S CA 1.254 59.326 58.200 -0.213 0.000 0.991 304 S CB -0.062 63.032 63.200 -0.177 0.000 0.823 304 S HN 0.476 nan 8.310 nan 0.000 0.469 305 L N 2.540 123.686 121.223 -0.128 0.000 1.970 305 L HA -0.086 4.254 4.340 -0.000 0.000 0.212 305 L C -0.828 176.065 176.870 0.040 0.000 1.071 305 L CA 1.663 56.478 54.840 -0.040 0.000 0.751 305 L CB -1.083 40.968 42.059 -0.012 0.000 0.889 305 L HN 0.220 nan 8.230 nan 0.000 0.432 306 P HA -0.101 nan 4.420 nan 0.000 0.221 306 P C 1.890 179.369 177.300 0.297 0.000 1.150 306 P CA 1.150 64.433 63.100 0.304 0.000 0.800 306 P CB 0.035 32.016 31.700 0.468 0.000 0.787 307 V N 0.556 120.392 119.914 -0.130 0.000 2.261 307 V HA -0.240 3.879 4.120 -0.000 0.000 0.246 307 V C 2.806 178.803 176.094 -0.162 0.000 1.047 307 V CA 2.187 64.181 62.300 -0.510 0.000 1.015 307 V CB -1.501 29.810 31.823 -0.854 0.000 0.642 307 V HN 0.173 nan 8.190 nan 0.000 0.446 308 C N -0.093 119.141 119.300 -0.111 0.000 2.432 308 C HA -0.090 4.369 4.460 -0.000 0.000 0.280 308 C C 2.421 177.451 174.990 0.067 0.000 1.353 308 C CA 0.337 59.377 59.018 0.037 0.000 1.766 308 C CB -1.121 26.618 27.740 -0.002 0.000 1.924 308 C HN 0.594 nan 8.230 nan 0.000 0.509 309 D N 0.590 121.056 120.400 0.110 0.000 2.117 309 D HA -0.129 4.511 4.640 -0.000 0.000 0.197 309 D C 2.317 178.779 176.300 0.270 0.000 0.987 309 D CA 1.046 55.186 54.000 0.233 0.000 0.829 309 D CB -0.435 40.603 40.800 0.397 0.000 0.961 309 D HN 0.491 nan 8.370 nan 0.000 0.460 310 R N 0.502 121.146 120.500 0.239 0.000 2.090 310 R HA -0.014 4.326 4.340 -0.000 0.000 0.228 310 R C 2.093 178.531 176.300 0.229 0.000 1.110 310 R CA 1.161 57.421 56.100 0.266 0.000 0.973 310 R CB -0.079 30.385 30.300 0.274 0.000 0.869 310 R HN 0.080 nan 8.270 nan 0.000 0.440 311 A N 1.014 123.880 122.820 0.076 0.000 1.883 311 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 311 A C 2.190 179.852 177.584 0.130 0.000 1.186 311 A CA 1.791 53.790 52.037 -0.064 0.000 0.624 311 A CB -0.467 18.375 19.000 -0.262 0.000 0.822 311 A HN 0.362 nan 8.150 nan 0.000 0.444 312 M N -1.283 118.452 119.600 0.225 0.000 2.132 312 M HA -0.073 4.406 4.480 -0.000 0.000 0.263 312 M C 1.828 178.460 176.300 0.554 0.000 1.065 312 M CA 0.914 56.397 55.300 0.305 0.000 1.122 312 M CB -0.338 32.237 32.600 -0.042 0.000 1.365 312 M HN 0.287 nan 8.290 nan 0.000 0.411 313 L N -0.632 120.893 121.223 0.504 0.000 2.191 313 L HA -0.179 4.161 4.340 -0.000 0.000 0.212 313 L C 1.519 178.580 176.870 0.317 0.000 1.103 313 L CA 1.979 57.018 54.840 0.332 0.000 0.769 313 L CB -1.154 40.899 42.059 -0.010 0.000 0.908 313 L HN 0.319 nan 8.230 nan 0.000 0.438 314 H N -2.308 116.919 119.070 0.262 0.000 2.542 314 H HA 0.363 4.919 4.556 -0.000 0.000 0.283 314 H C 1.795 177.211 175.328 0.146 0.000 1.059 314 H CA 0.498 56.653 56.048 0.178 0.000 1.162 314 H CB 0.268 30.046 29.762 0.027 0.000 1.539 314 H HN 0.168 nan 8.280 nan 0.000 0.543 315 A N 0.766 123.718 122.820 0.219 0.000 2.172 315 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 315 A C 1.831 179.380 177.584 -0.059 0.000 1.154 315 A CA 1.412 53.402 52.037 -0.077 0.000 0.701 315 A CB -0.103 18.798 19.000 -0.166 0.000 0.789 315 A HN 0.567 nan 8.150 nan 0.000 0.465 316 D N -1.282 119.229 120.400 0.185 0.000 2.323 316 D HA 0.189 4.829 4.640 -0.000 0.000 0.209 316 D C 1.343 177.835 176.300 0.319 0.000 0.973 316 D CA 1.195 55.370 54.000 0.292 0.000 0.874 316 D CB -0.533 40.554 40.800 0.480 0.000 0.930 316 D HN 0.590 nan 8.370 nan 0.000 0.521 317 G N 0.922 109.872 108.800 0.250 0.000 2.574 317 G HA2 -0.327 3.632 3.960 -0.000 0.000 0.301 317 G HA3 -0.327 3.632 3.960 -0.000 0.000 0.301 317 G C 0.675 175.599 174.900 0.041 0.000 1.166 317 G CA 0.831 46.049 45.100 0.195 0.000 0.971 317 G HN 0.427 nan 8.290 nan 0.000 0.542 318 S N 0.569 116.048 115.700 -0.369 0.000 2.663 318 S HA 0.521 4.991 4.470 -0.000 0.000 0.243 318 S C -0.617 173.769 174.600 -0.358 0.000 1.009 318 S CA -0.027 57.956 58.200 -0.361 0.000 0.988 318 S CB 0.347 63.309 63.200 -0.397 0.000 0.896 318 S HN 0.518 nan 8.310 nan 0.000 0.502 319 Y N 0.285 120.668 120.300 0.138 0.000 2.446 319 Y HA 0.552 5.102 4.550 -0.000 0.000 0.345 319 Y C -0.448 175.147 175.900 -0.508 0.000 0.984 319 Y CA -1.679 56.337 58.100 -0.139 0.000 1.058 319 Y CB 0.760 39.194 38.460 -0.042 0.000 1.220 319 Y HN 0.161 nan 8.280 nan 0.000 0.455 320 F N 3.617 123.143 119.950 -0.707 0.000 2.472 320 F HA 0.532 5.059 4.527 -0.000 0.000 0.364 320 F C -0.838 174.874 175.800 -0.147 0.000 1.090 320 F CA -0.663 56.987 58.000 -0.583 0.000 1.188 320 F CB 0.303 39.039 39.000 -0.441 0.000 1.105 320 F HN 0.192 nan 8.300 nan 0.000 0.536 321 V N 9.507 129.002 119.914 -0.699 0.000 2.407 321 V HA 0.242 4.362 4.120 -0.000 0.000 0.291 321 V C -1.762 173.892 176.094 -0.734 0.000 1.018 321 V CA -1.322 60.669 62.300 -0.514 0.000 0.842 321 V CB 1.485 33.215 31.823 -0.156 0.000 0.996 321 V HN 0.643 nan 8.190 nan 0.000 0.426 322 P HA -0.014 nan 4.420 nan 0.000 0.216 322 P C 0.290 177.487 177.300 -0.171 0.000 1.153 322 P CA 1.141 64.018 63.100 -0.372 0.000 0.848 322 P CB 0.371 31.998 31.700 -0.122 0.000 0.787 323 A N -0.434 122.311 122.820 -0.124 0.000 2.335 323 A HA 0.679 4.999 4.320 -0.000 0.000 0.304 323 A C -1.328 176.235 177.584 -0.035 0.000 1.118 323 A CA -0.499 51.508 52.037 -0.050 0.000 0.757 323 A CB 0.425 19.406 19.000 -0.032 0.000 1.188 323 A HN 0.128 nan 8.150 nan 0.000 0.460 324 L N 2.446 123.681 121.223 0.019 0.000 2.470 324 L HA 0.738 5.078 4.340 -0.000 0.000 0.268 324 L C -0.656 176.276 176.870 0.104 0.000 0.964 324 L CA -0.447 54.425 54.840 0.053 0.000 0.839 324 L CB 1.698 43.798 42.059 0.068 0.000 1.276 324 L HN 0.843 nan 8.230 nan 0.000 0.403 325 R N 5.057 125.614 120.500 0.095 0.000 2.575 325 R HA 0.743 5.083 4.340 -0.000 0.000 0.293 325 R C -1.764 174.615 176.300 0.132 0.000 0.983 325 R CA -0.500 55.675 56.100 0.125 0.000 0.887 325 R CB 1.520 31.869 30.300 0.082 0.000 1.184 325 R HN 0.637 nan 8.270 nan 0.000 0.445 326 I N 2.090 122.742 120.570 0.137 0.000 2.474 326 I HA 0.370 4.540 4.170 -0.000 0.000 0.294 326 I C -0.461 175.641 176.117 -0.025 0.000 1.005 326 I CA -0.642 60.682 61.300 0.040 0.000 1.113 326 I CB 2.112 40.099 38.000 -0.022 0.000 1.289 326 I HN 0.583 nan 8.210 nan 0.000 0.436 327 E N 3.979 124.151 120.200 -0.047 0.000 2.207 327 E HA 0.318 4.667 4.350 -0.000 0.000 0.250 327 E C -1.216 175.352 176.600 -0.053 0.000 0.890 327 E CA -0.295 56.071 56.400 -0.058 0.000 0.749 327 E CB 1.277 31.004 29.700 0.046 0.000 1.193 327 E HN 0.566 nan 8.360 nan 0.000 0.423 328 S N 4.831 120.428 115.700 -0.171 0.000 2.474 328 S HA 0.235 4.705 4.470 -0.000 0.000 0.320 328 S C -0.872 173.635 174.600 -0.154 0.000 1.067 328 S CA -0.650 57.516 58.200 -0.056 0.000 1.127 328 S CB 0.179 63.332 63.200 -0.077 0.000 0.971 328 S HN 0.526 nan 8.310 nan 0.000 0.472 329 H N 5.746 124.818 119.070 0.004 0.000 2.690 329 H HA 0.270 4.826 4.556 -0.000 0.000 0.289 329 H C 0.144 175.444 175.328 -0.047 0.000 1.089 329 H CA -0.692 55.345 56.048 -0.020 0.000 1.299 329 H CB 0.533 30.284 29.762 -0.019 0.000 1.405 329 H HN 0.551 nan 8.280 nan 0.000 0.463 330 R N 4.206 124.738 120.500 0.054 0.000 2.296 330 R HA 0.279 4.618 4.340 -0.000 0.000 0.327 330 R C -0.525 175.849 176.300 0.124 0.000 1.137 330 R CA -0.482 55.649 56.100 0.051 0.000 1.020 330 R CB 0.092 30.424 30.300 0.054 0.000 1.110 330 R HN 0.422 nan 8.270 nan 0.000 0.499 331 L N 2.687 123.949 121.223 0.064 0.000 2.312 331 L HA 0.471 4.810 4.340 -0.000 0.000 0.281 331 L C 0.823 177.712 176.870 0.031 0.000 1.070 331 L CA -0.787 54.062 54.840 0.014 0.000 0.805 331 L CB 1.171 43.211 42.059 -0.031 0.000 1.174 331 L HN 0.413 nan 8.230 nan 0.000 0.434 332 R N 1.764 122.179 120.500 -0.141 0.000 2.308 332 R HA 0.450 4.790 4.340 -0.000 0.000 0.305 332 R C -0.756 175.499 176.300 -0.075 0.000 1.053 332 R CA -0.207 55.788 56.100 -0.176 0.000 0.957 332 R CB 1.009 30.930 30.300 -0.631 0.000 1.022 332 R HN 0.815 nan 8.270 nan 0.000 0.461 333 T N 0.359 114.912 114.554 -0.002 0.000 2.906 333 T HA 0.244 4.594 4.350 -0.000 0.000 0.295 333 T C -0.033 174.698 174.700 0.052 0.000 1.061 333 T CA -1.045 61.040 62.100 -0.024 0.000 1.000 333 T CB 1.446 70.250 68.868 -0.107 0.000 1.103 333 T HN 0.594 nan 8.240 nan 0.000 0.486 334 N N 1.589 120.316 118.700 0.045 0.000 2.926 334 N HA 0.219 4.958 4.740 -0.000 0.000 0.284 334 N C 0.241 175.815 175.510 0.106 0.000 1.303 334 N CA -0.069 53.055 53.050 0.123 0.000 1.062 334 N CB -0.030 38.502 38.487 0.074 0.000 1.389 334 N HN 0.805 nan 8.380 nan 0.000 0.538 335 T N -3.898 110.692 114.554 0.061 0.000 2.773 335 T HA 0.352 4.701 4.350 -0.000 0.000 0.278 335 T C -0.097 174.572 174.700 -0.050 0.000 1.011 335 T CA -1.056 61.037 62.100 -0.012 0.000 1.014 335 T CB 0.906 69.534 68.868 -0.399 0.000 1.293 335 T HN -0.181 nan 8.240 nan 0.000 0.554 336 Q N 1.385 121.132 119.800 -0.088 0.000 2.310 336 Q HA 0.246 4.586 4.340 -0.000 0.000 0.315 336 Q C 0.288 176.210 176.000 -0.130 0.000 1.081 336 Q CA 0.397 56.025 55.803 -0.291 0.000 0.981 336 Q CB 0.318 29.059 28.738 0.005 0.000 1.184 336 Q HN 0.699 nan 8.270 nan 0.000 0.389 337 S N 4.064 119.688 115.700 -0.127 0.000 2.686 337 S HA 0.058 4.527 4.470 -0.000 0.000 0.324 337 S C -0.177 174.306 174.600 -0.195 0.000 1.172 337 S CA -0.647 57.428 58.200 -0.209 0.000 1.127 337 S CB -0.478 62.477 63.200 -0.409 0.000 1.338 337 S HN 0.479 nan 8.310 nan 0.000 0.547 338 N N 3.025 121.565 118.700 -0.267 0.000 2.292 338 N HA 0.018 4.758 4.740 -0.000 0.000 0.242 338 N C 0.326 175.607 175.510 -0.381 0.000 1.243 338 N CA 0.591 53.368 53.050 -0.455 0.000 0.851 338 N CB 0.812 38.719 38.487 -0.967 0.000 1.093 338 N HN 0.622 nan 8.380 nan 0.000 0.450 339 T N -1.036 113.414 114.554 -0.173 0.000 2.618 339 T HA 0.599 4.949 4.350 -0.000 0.000 0.286 339 T C -1.135 173.668 174.700 0.172 0.000 1.027 339 T CA -0.498 61.647 62.100 0.075 0.000 1.063 339 T CB 0.657 69.572 68.868 0.078 0.000 1.440 339 T HN 0.503 nan 8.240 nan 0.000 0.505 340 A N 1.045 123.986 122.820 0.201 0.000 2.498 340 A HA 0.592 4.911 4.320 -0.000 0.000 0.239 340 A C -0.730 177.101 177.584 0.412 0.000 1.068 340 A CA 0.092 52.296 52.037 0.278 0.000 0.766 340 A CB -0.615 18.697 19.000 0.520 0.000 1.003 340 A HN 0.719 nan 8.150 nan 0.000 0.497 341 F N 1.716 121.757 119.950 0.152 0.000 2.605 341 F HA 0.388 4.915 4.527 -0.000 0.000 0.320 341 F C 0.464 176.151 175.800 -0.189 0.000 1.159 341 F CA -1.084 56.925 58.000 0.016 0.000 0.999 341 F CB 1.183 39.976 39.000 -0.346 0.000 1.258 341 F HN 0.807 nan 8.300 nan 0.000 0.464 342 R N 3.937 124.655 120.500 0.363 0.000 4.098 342 R HA -0.073 4.266 4.340 -0.000 0.000 0.151 342 R C 0.918 176.931 176.300 -0.477 0.000 0.451 342 R CA 2.013 58.089 56.100 -0.040 0.000 0.858 342 R CB -0.654 29.652 30.300 0.010 0.000 1.051 342 R HN 1.186 nan 8.270 nan 0.000 0.263 343 G N 3.563 112.220 108.800 -0.238 0.000 2.339 343 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.209 343 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.209 343 G C 0.282 175.276 174.900 0.157 0.000 1.015 343 G CA -0.051 44.943 45.100 -0.177 0.000 0.635 343 G HN 0.832 nan 8.290 nan 0.000 0.499 344 F N 0.625 120.516 119.950 -0.097 0.000 2.983 344 F HA 0.052 4.579 4.527 -0.000 0.000 0.288 344 F C 1.788 177.552 175.800 -0.059 0.000 0.980 344 F CA 2.478 60.466 58.000 -0.020 0.000 0.965 344 F CB -1.025 37.995 39.000 0.033 0.000 0.967 344 F HN 2.061 nan 8.300 nan 0.000 0.800 345 G N -0.407 108.279 108.800 -0.191 0.000 2.267 345 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.257 345 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.257 345 G C 1.588 176.341 174.900 -0.244 0.000 0.998 345 G CA 0.903 45.856 45.100 -0.244 0.000 0.620 345 G HN 1.589 nan 8.290 nan 0.000 0.529 346 G N 1.568 110.267 108.800 -0.169 0.000 2.446 346 G HA2 0.005 3.965 3.960 -0.000 0.000 0.217 346 G HA3 0.005 3.965 3.960 -0.000 0.000 0.217 346 G C 0.130 174.955 174.900 -0.125 0.000 1.168 346 G CA 1.979 46.891 45.100 -0.314 0.000 0.771 346 G HN 0.555 nan 8.290 nan 0.000 0.551 347 P HA -0.053 nan 4.420 nan 0.000 0.217 347 P C 1.768 179.139 177.300 0.120 0.000 1.150 347 P CA 1.197 64.362 63.100 0.107 0.000 0.832 347 P CB 0.020 31.768 31.700 0.080 0.000 0.787 348 Q N -0.684 119.054 119.800 -0.103 0.000 2.050 348 Q HA -0.063 4.277 4.340 -0.000 0.000 0.202 348 Q C 2.440 178.199 176.000 -0.402 0.000 0.980 348 Q CA 2.071 57.699 55.803 -0.292 0.000 0.840 348 Q CB -1.542 26.631 28.738 -0.940 0.000 0.898 348 Q HN 0.234 nan 8.270 nan 0.000 0.424 349 G N 0.077 108.610 108.800 -0.445 0.000 2.402 349 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.216 349 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.216 349 G C 1.465 176.311 174.900 -0.090 0.000 1.162 349 G CA 0.791 45.704 45.100 -0.311 0.000 0.777 349 G HN 0.434 nan 8.290 nan 0.000 0.539 350 A N 0.382 123.217 122.820 0.025 0.000 1.930 350 A HA 0.109 4.429 4.320 -0.000 0.000 0.217 350 A C 2.320 179.987 177.584 0.139 0.000 1.175 350 A CA 1.520 53.631 52.037 0.123 0.000 0.627 350 A CB -0.405 18.704 19.000 0.183 0.000 0.815 350 A HN 0.411 nan 8.150 nan 0.000 0.443 351 L N 0.199 121.503 121.223 0.136 0.000 2.131 351 L HA -0.017 4.323 4.340 -0.000 0.000 0.210 351 L C 2.327 179.349 176.870 0.254 0.000 1.092 351 L CA 2.006 56.953 54.840 0.179 0.000 0.759 351 L CB -0.848 41.298 42.059 0.144 0.000 0.903 351 L HN 0.305 nan 8.230 nan 0.000 0.435 352 G N -0.750 108.174 108.800 0.205 0.000 2.422 352 G HA2 -0.334 3.625 3.960 -0.000 0.000 0.218 352 G HA3 -0.334 3.625 3.960 -0.000 0.000 0.218 352 G C 1.529 176.577 174.900 0.246 0.000 1.146 352 G CA 1.027 46.308 45.100 0.302 0.000 0.769 352 G HN 0.405 nan 8.290 nan 0.000 0.547 353 M N 0.535 120.197 119.600 0.104 0.000 2.200 353 M HA 0.128 4.608 4.480 -0.000 0.000 0.265 353 M C 2.195 178.604 176.300 0.182 0.000 1.066 353 M CA 1.106 56.556 55.300 0.250 0.000 1.127 353 M CB -0.277 32.483 32.600 0.266 0.000 1.379 353 M HN 0.067 nan 8.290 nan 0.000 0.420 354 E N -0.125 120.185 120.200 0.184 0.000 2.106 354 E HA -0.145 4.204 4.350 -0.000 0.000 0.192 354 E C 2.212 178.824 176.600 0.020 0.000 0.984 354 E CA 0.804 57.294 56.400 0.150 0.000 0.806 354 E CB -0.406 29.410 29.700 0.194 0.000 0.750 354 E HN 0.426 nan 8.360 nan 0.000 0.458 355 R N 0.350 120.816 120.500 -0.057 0.000 2.115 355 R HA 0.077 4.417 4.340 -0.000 0.000 0.226 355 R C 2.071 178.092 176.300 -0.465 0.000 1.100 355 R CA 0.958 56.900 56.100 -0.263 0.000 0.980 355 R CB -0.336 29.609 30.300 -0.591 0.000 0.875 355 R HN 0.126 nan 8.270 nan 0.000 0.445 356 A N 0.817 123.291 122.820 -0.577 0.000 1.855 356 A HA -0.127 4.193 4.320 -0.000 0.000 0.215 356 A C 2.217 179.615 177.584 -0.309 0.000 1.191 356 A CA 1.139 52.726 52.037 -0.749 0.000 0.613 356 A CB -0.533 18.254 19.000 -0.355 0.000 0.829 356 A HN 0.294 nan 8.150 nan 0.000 0.442 357 I N -0.825 119.629 120.570 -0.194 0.000 2.493 357 I HA -0.184 3.985 4.170 -0.000 0.000 0.254 357 I C 2.330 178.373 176.117 -0.123 0.000 1.160 357 I CA 1.725 62.908 61.300 -0.196 0.000 1.445 357 I CB -0.000 37.790 38.000 -0.350 0.000 1.086 357 I HN 0.461 nan 8.210 nan 0.000 0.433 358 E N 0.216 120.371 120.200 -0.076 0.000 2.047 358 E HA -0.310 4.040 4.350 -0.000 0.000 0.191 358 E C 2.260 178.888 176.600 0.047 0.000 0.987 358 E CA 1.551 57.957 56.400 0.010 0.000 0.799 358 E CB -0.316 29.387 29.700 0.005 0.000 0.752 358 E HN 0.472 nan 8.360 nan 0.000 0.449 359 H N 0.031 119.006 119.070 -0.160 0.000 2.319 359 H HA -0.150 4.405 4.556 -0.000 0.000 0.299 359 H C 2.144 177.316 175.328 -0.260 0.000 1.092 359 H CA 1.803 57.592 56.048 -0.431 0.000 1.302 359 H CB -0.433 28.996 29.762 -0.556 0.000 1.373 359 H HN 0.280 nan 8.280 nan 0.000 0.497 360 L N 0.893 122.126 121.223 0.017 0.000 2.042 360 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 360 L C 2.758 179.597 176.870 -0.052 0.000 1.076 360 L CA 2.068 56.897 54.840 -0.019 0.000 0.749 360 L CB -1.098 40.918 42.059 -0.071 0.000 0.893 360 L HN 0.310 nan 8.230 nan 0.000 0.432 361 A N -0.464 122.324 122.820 -0.052 0.000 1.883 361 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 361 A C 2.317 179.884 177.584 -0.028 0.000 1.186 361 A CA 1.796 53.804 52.037 -0.048 0.000 0.624 361 A CB -0.540 18.450 19.000 -0.018 0.000 0.822 361 A HN 0.456 nan 8.150 nan 0.000 0.444 362 R N -0.722 119.788 120.500 0.017 0.000 2.092 362 R HA -0.091 4.249 4.340 -0.000 0.000 0.231 362 R C 2.353 178.644 176.300 -0.015 0.000 1.119 362 R CA 1.251 57.374 56.100 0.038 0.000 0.970 362 R CB -1.382 29.011 30.300 0.155 0.000 0.864 362 R HN 0.537 nan 8.270 nan 0.000 0.440 363 G N 1.968 110.743 108.800 -0.043 0.000 2.432 363 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.219 363 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.219 363 G C 1.506 176.383 174.900 -0.038 0.000 1.135 363 G CA 0.958 46.044 45.100 -0.023 0.000 0.767 363 G HN 0.416 nan 8.290 nan 0.000 0.550 364 M N -1.120 118.406 119.600 -0.123 0.000 2.371 364 M HA 0.457 4.937 4.480 -0.000 0.000 0.246 364 M C 1.256 177.461 176.300 -0.157 0.000 1.103 364 M CA 0.510 55.661 55.300 -0.247 0.000 1.010 364 M CB 0.414 32.592 32.600 -0.703 0.000 1.457 364 M HN 0.267 nan 8.290 nan 0.000 0.486 365 G N 2.710 111.455 108.800 -0.090 0.000 2.298 365 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.287 365 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.287 365 G C -0.335 174.529 174.900 -0.060 0.000 1.075 365 G CA 0.304 45.370 45.100 -0.055 0.000 0.960 365 G HN 0.651 nan 8.290 nan 0.000 0.502 366 R N -0.492 119.968 120.500 -0.067 0.000 2.832 366 R HA 0.461 4.801 4.340 -0.000 0.000 0.271 366 R C -0.490 175.795 176.300 -0.024 0.000 0.996 366 R CA -0.834 55.234 56.100 -0.053 0.000 0.977 366 R CB 0.977 31.231 30.300 -0.077 0.000 1.168 366 R HN 0.188 nan 8.270 nan 0.000 0.482 367 D N 2.654 123.050 120.400 -0.007 0.000 2.434 367 D HA 0.032 4.672 4.640 -0.000 0.000 0.252 367 D C -1.672 174.645 176.300 0.028 0.000 1.185 367 D CA -1.323 52.691 54.000 0.024 0.000 0.886 367 D CB 1.361 42.187 40.800 0.043 0.000 1.148 367 D HN 0.203 nan 8.370 nan 0.000 0.483 368 P HA -0.154 nan 4.420 nan 0.000 0.216 368 P C 0.825 178.150 177.300 0.043 0.000 1.150 368 P CA 1.625 64.750 63.100 0.042 0.000 0.843 368 P CB 0.108 31.861 31.700 0.088 0.000 0.787 369 A N -0.282 122.600 122.820 0.104 0.000 1.930 369 A HA -0.177 4.142 4.320 -0.000 0.000 0.217 369 A C 2.186 179.795 177.584 0.043 0.000 1.175 369 A CA 1.324 53.420 52.037 0.100 0.000 0.627 369 A CB -0.937 18.189 19.000 0.209 0.000 0.815 369 A HN 0.049 nan 8.150 nan 0.000 0.443 370 E N -0.322 119.905 120.200 0.045 0.000 2.051 370 E HA -0.185 4.165 4.350 -0.000 0.000 0.192 370 E C 1.973 178.539 176.600 -0.056 0.000 0.991 370 E CA 1.169 57.573 56.400 0.006 0.000 0.799 370 E CB -0.583 29.124 29.700 0.011 0.000 0.748 370 E HN 0.499 nan 8.360 nan 0.000 0.449 371 L N 1.117 122.296 121.223 -0.073 0.000 2.083 371 L HA -0.144 4.196 4.340 -0.000 0.000 0.209 371 L C 2.348 179.090 176.870 -0.212 0.000 1.083 371 L CA 1.565 56.329 54.840 -0.127 0.000 0.752 371 L CB -0.117 41.867 42.059 -0.124 0.000 0.899 371 L HN -0.030 nan 8.230 nan 0.000 0.433 372 R N -1.111 119.254 120.500 -0.226 0.000 2.073 372 R HA -0.043 4.297 4.340 -0.000 0.000 0.229 372 R C 2.271 178.096 176.300 -0.792 0.000 1.120 372 R CA 1.109 57.002 56.100 -0.345 0.000 0.967 372 R CB -0.578 29.665 30.300 -0.096 0.000 0.862 372 R HN 0.461 nan 8.270 nan 0.000 0.436 373 A N 1.272 123.774 122.820 -0.530 0.000 1.908 373 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 373 A C 2.043 179.471 177.584 -0.259 0.000 1.181 373 A CA 1.128 52.926 52.037 -0.398 0.000 0.627 373 A CB -0.478 18.505 19.000 -0.029 0.000 0.818 373 A HN 0.239 nan 8.150 nan 0.000 0.445 374 L N -0.314 120.799 121.223 -0.183 0.000 2.450 374 L HA -0.035 4.305 4.340 -0.000 0.000 0.224 374 L C 0.923 177.740 176.870 -0.088 0.000 1.149 374 L CA 1.439 56.222 54.840 -0.095 0.000 0.816 374 L CB -0.228 41.786 42.059 -0.075 0.000 0.932 374 L HN 0.365 nan 8.230 nan 0.000 0.449 375 N N -1.789 116.809 118.700 -0.170 0.000 2.238 375 N HA 0.140 4.880 4.740 -0.000 0.000 0.235 375 N C -0.279 175.279 175.510 0.079 0.000 1.209 375 N CA -0.090 52.932 53.050 -0.047 0.000 0.879 375 N CB 0.407 38.839 38.487 -0.091 0.000 1.136 375 N HN 0.179 nan 8.380 nan 0.000 0.517 376 F N 0.579 120.606 119.950 0.129 0.000 2.444 376 F HA 0.156 4.683 4.527 -0.000 0.000 0.331 376 F C 0.942 176.735 175.800 -0.012 0.000 1.167 376 F CA -0.746 57.280 58.000 0.043 0.000 1.262 376 F CB 0.438 39.446 39.000 0.013 0.000 1.196 376 F HN -0.018 nan 8.300 nan 0.000 0.583 377 Y N 1.126 121.572 120.300 0.244 0.000 2.597 377 Y HA -0.069 4.480 4.550 -0.000 0.000 0.336 377 Y C 0.667 176.582 175.900 0.023 0.000 1.216 377 Y CA -0.288 57.871 58.100 0.100 0.000 1.463 377 Y CB 0.005 38.485 38.460 0.034 0.000 1.303 377 Y HN 0.407 nan 8.280 nan 0.000 0.576 378 D N 4.526 125.004 120.400 0.130 0.000 2.472 378 D HA 0.050 4.689 4.640 -0.000 0.000 0.237 378 D C -2.241 174.070 176.300 0.019 0.000 1.141 378 D CA -0.884 53.139 54.000 0.039 0.000 0.875 378 D CB 0.481 41.269 40.800 -0.019 0.000 1.192 378 D HN 0.246 nan 8.370 nan 0.000 0.450 379 P HA 0.184 nan 4.420 nan 0.000 0.272 379 P C -2.476 174.815 177.300 -0.015 0.000 1.223 379 P CA -1.057 62.022 63.100 -0.036 0.000 0.784 379 P CB -0.163 31.520 31.700 -0.029 0.000 0.923 380 P HA 0.081 nan 4.420 nan 0.000 0.263 380 P C -0.480 176.823 177.300 0.006 0.000 1.195 380 P CA 0.827 63.929 63.100 0.004 0.000 0.762 380 P CB -0.058 31.649 31.700 0.012 0.000 0.799 399 K N 1.273 121.673 120.400 -0.000 0.000 4.105 399 K HA -0.190 4.130 4.320 -0.000 0.000 0.491 399 K C -1.167 175.424 176.600 -0.015 0.000 1.203 399 K CA 1.376 57.661 56.287 -0.003 0.000 0.971 399 K CB -1.663 30.837 32.500 0.000 0.000 1.886 399 K HN 0.535 nan 8.250 nan 0.000 0.269 400 T N 4.824 119.375 114.554 -0.005 0.000 2.856 400 T HA 0.140 4.490 4.350 -0.000 0.000 0.292 400 T C 0.446 175.139 174.700 -0.011 0.000 0.980 400 T CA -0.611 61.484 62.100 -0.009 0.000 1.091 400 T CB 0.819 69.693 68.868 0.010 0.000 0.936 400 T HN 0.475 nan 8.240 nan 0.000 0.503 401 Q N 1.874 121.647 119.800 -0.045 0.000 2.349 401 Q HA 0.258 4.598 4.340 -0.000 0.000 0.287 401 Q C 0.692 176.769 176.000 0.128 0.000 1.044 401 Q CA 0.066 55.841 55.803 -0.046 0.000 0.918 401 Q CB 0.413 29.044 28.738 -0.179 0.000 1.242 401 Q HN 0.811 nan 8.270 nan 0.000 0.405 402 T N -1.786 112.925 114.554 0.262 0.000 2.942 402 T HA 0.541 4.890 4.350 -0.000 0.000 0.289 402 T C 0.274 175.129 174.700 0.258 0.000 1.044 402 T CA -0.885 61.315 62.100 0.166 0.000 1.023 402 T CB 1.571 70.491 68.868 0.086 0.000 1.123 402 T HN 0.635 nan 8.240 nan 0.000 0.512 403 T N -1.188 113.310 114.554 -0.093 0.000 2.770 403 T HA 0.220 4.570 4.350 -0.000 0.000 0.281 403 T C 1.620 176.192 174.700 -0.214 0.000 0.981 403 T CA -0.204 61.764 62.100 -0.219 0.000 0.955 403 T CB 0.188 68.469 68.868 -0.977 0.000 1.060 403 T HN 0.898 nan 8.240 nan 0.000 0.531 404 H N 0.170 119.199 119.070 -0.069 0.000 2.421 404 H HA -0.144 4.412 4.556 -0.000 0.000 0.298 404 H C 1.609 176.969 175.328 0.054 0.000 1.087 404 H CA 1.837 57.915 56.048 0.051 0.000 1.330 404 H CB -0.988 28.889 29.762 0.192 0.000 1.388 404 H HN 0.910 nan 8.280 nan 0.000 0.526 405 Y N -0.599 119.467 120.300 -0.390 0.000 2.477 405 Y HA 0.466 5.016 4.550 -0.000 0.000 0.303 405 Y C 1.728 177.536 175.900 -0.153 0.000 1.202 405 Y CA -0.185 57.741 58.100 -0.290 0.000 1.282 405 Y CB -0.092 38.118 38.460 -0.416 0.000 1.071 405 Y HN 0.345 nan 8.280 nan 0.000 0.510 406 G N 0.196 108.848 108.800 -0.247 0.000 2.199 406 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.254 406 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.254 406 G C 0.151 174.985 174.900 -0.109 0.000 0.982 406 G CA 0.183 45.219 45.100 -0.108 0.000 0.632 406 G HN 0.611 nan 8.290 nan 0.000 0.529 407 Q N 1.158 120.824 119.800 -0.223 0.000 2.304 407 Q HA 0.409 4.749 4.340 -0.000 0.000 0.260 407 Q C 0.219 176.179 176.000 -0.066 0.000 0.965 407 Q CA -0.223 55.529 55.803 -0.084 0.000 0.898 407 Q CB 0.325 29.091 28.738 0.046 0.000 1.196 407 Q HN 0.554 nan 8.270 nan 0.000 0.402 408 E N 2.156 122.362 120.200 0.009 0.000 2.392 408 E HA 0.091 4.441 4.350 -0.000 0.000 0.264 408 E C -0.940 175.696 176.600 0.059 0.000 1.024 408 E CA -0.152 56.263 56.400 0.024 0.000 0.903 408 E CB 1.118 30.839 29.700 0.035 0.000 0.963 408 E HN 0.381 nan 8.360 nan 0.000 0.432 409 V N 2.703 122.610 119.914 -0.012 0.000 2.275 409 V HA 0.277 4.397 4.120 -0.000 0.000 0.272 409 V C 0.447 176.558 176.094 0.028 0.000 1.028 409 V CA -0.196 62.083 62.300 -0.035 0.000 0.810 409 V CB 0.854 32.383 31.823 -0.489 0.000 1.043 409 V HN 0.787 nan 8.190 nan 0.000 0.453 410 A N 2.962 125.837 122.820 0.092 0.000 2.470 410 A HA 0.260 4.580 4.320 -0.000 0.000 0.251 410 A C 0.991 178.622 177.584 0.079 0.000 1.245 410 A CA 0.230 52.307 52.037 0.067 0.000 0.932 410 A CB 0.102 19.138 19.000 0.059 0.000 1.037 410 A HN 0.755 nan 8.150 nan 0.000 0.522 411 D N -1.737 118.744 120.400 0.134 0.000 2.513 411 D HA 0.079 4.719 4.640 -0.000 0.000 0.222 411 D C 0.006 176.330 176.300 0.041 0.000 1.210 411 D CA -0.246 53.845 54.000 0.153 0.000 0.825 411 D CB -1.072 39.892 40.800 0.273 0.000 1.037 411 D HN 0.091 nan 8.370 nan 0.000 0.506 412 C N 2.238 121.474 119.300 -0.107 0.000 2.520 412 C HA 0.264 4.723 4.460 -0.000 0.000 0.369 412 C C 1.832 176.464 174.990 -0.597 0.000 1.244 412 C CA -0.368 58.333 59.018 -0.529 0.000 1.677 412 C CB -0.949 26.659 27.740 -0.220 0.000 2.324 412 C HN 0.337 nan 8.230 nan 0.000 0.557 413 V N 5.077 124.417 119.914 -0.956 0.000 3.621 413 V HA 0.127 4.246 4.120 -0.000 0.000 0.285 413 V C 1.678 177.308 176.094 -0.774 0.000 1.346 413 V CA 0.709 62.604 62.300 -0.676 0.000 1.104 413 V CB -0.831 30.614 31.823 -0.631 0.000 0.913 413 V HN 0.852 nan 8.190 nan 0.000 0.432 414 L N 1.552 122.244 121.223 -0.884 0.000 2.127 414 L HA -0.052 4.288 4.340 -0.000 0.000 0.211 414 L C 2.716 179.159 176.870 -0.712 0.000 1.089 414 L CA 1.891 56.199 54.840 -0.886 0.000 0.757 414 L CB -0.885 40.492 42.059 -1.136 0.000 0.899 414 L HN 0.531 nan 8.230 nan 0.000 0.434 415 G N -0.745 107.806 108.800 -0.415 0.000 2.459 415 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.217 415 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.217 415 G C 1.476 176.320 174.900 -0.093 0.000 1.183 415 G CA 0.826 45.872 45.100 -0.090 0.000 0.776 415 G HN 0.407 nan 8.290 nan 0.000 0.552 416 E N -0.286 119.825 120.200 -0.148 0.000 2.072 416 E HA 0.002 4.352 4.350 -0.000 0.000 0.190 416 E C 2.489 179.021 176.600 -0.114 0.000 0.982 416 E CA 0.460 56.831 56.400 -0.050 0.000 0.803 416 E CB -0.160 29.587 29.700 0.078 0.000 0.755 416 E HN 0.385 nan 8.360 nan 0.000 0.453 417 L N 0.511 121.443 121.223 -0.486 0.000 2.042 417 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 417 L C 2.285 179.026 176.870 -0.216 0.000 1.076 417 L CA 1.033 55.530 54.840 -0.571 0.000 0.749 417 L CB -0.085 41.373 42.059 -1.003 0.000 0.893 417 L HN 0.040 nan 8.230 nan 0.000 0.432 418 V N -0.409 119.378 119.914 -0.211 0.000 2.358 418 V HA -0.263 3.856 4.120 -0.000 0.000 0.246 418 V C 2.509 178.591 176.094 -0.020 0.000 1.047 418 V CA 2.200 64.447 62.300 -0.089 0.000 1.035 418 V CB -0.718 31.108 31.823 0.005 0.000 0.658 418 V HN 0.587 nan 8.190 nan 0.000 0.452 419 T N -0.317 114.244 114.554 0.012 0.000 2.746 419 T HA -0.260 4.089 4.350 -0.000 0.000 0.267 419 T C 1.999 176.736 174.700 0.061 0.000 1.039 419 T CA 1.757 63.887 62.100 0.049 0.000 1.142 419 T CB -0.263 68.642 68.868 0.062 0.000 0.866 419 T HN 0.383 nan 8.240 nan 0.000 0.444 420 R N 0.349 120.899 120.500 0.084 0.000 2.066 420 R HA -0.006 4.333 4.340 -0.000 0.000 0.232 420 R C 2.411 178.763 176.300 0.086 0.000 1.131 420 R CA 1.051 57.223 56.100 0.119 0.000 0.955 420 R CB -0.455 29.986 30.300 0.235 0.000 0.851 420 R HN 0.297 nan 8.270 nan 0.000 0.432 421 L N 1.167 122.424 121.223 0.056 0.000 2.056 421 L HA -0.147 4.193 4.340 -0.000 0.000 0.207 421 L C 2.040 178.916 176.870 0.011 0.000 1.078 421 L CA 1.746 56.602 54.840 0.028 0.000 0.749 421 L CB -0.300 41.754 42.059 -0.009 0.000 0.901 421 L HN 0.236 nan 8.230 nan 0.000 0.433 422 Q N -0.807 118.985 119.800 -0.012 0.000 2.170 422 Q HA -0.186 4.154 4.340 -0.000 0.000 0.203 422 Q C 2.035 178.102 176.000 0.113 0.000 0.976 422 Q CA 1.164 56.981 55.803 0.024 0.000 0.858 422 Q CB -0.039 28.703 28.738 0.007 0.000 0.907 422 Q HN 0.426 nan 8.270 nan 0.000 0.433 423 K N 0.322 120.772 120.400 0.084 0.000 2.001 423 K HA -0.094 4.225 4.320 -0.000 0.000 0.208 423 K C 2.363 179.007 176.600 0.074 0.000 1.048 423 K CA 1.675 58.011 56.287 0.081 0.000 0.932 423 K CB -0.463 32.078 32.500 0.069 0.000 0.715 423 K HN 0.218 nan 8.250 nan 0.000 0.437 424 S N 0.770 116.510 115.700 0.066 0.000 2.402 424 S HA -0.020 4.450 4.470 -0.000 0.000 0.229 424 S C 2.068 176.704 174.600 0.059 0.000 1.021 424 S CA 0.983 59.217 58.200 0.057 0.000 0.974 424 S CB -0.065 63.167 63.200 0.055 0.000 0.800 424 S HN 0.243 nan 8.310 nan 0.000 0.484 425 A N 1.166 124.029 122.820 0.071 0.000 2.238 425 A HA 0.312 4.632 4.320 -0.000 0.000 0.208 425 A C 0.906 178.556 177.584 0.110 0.000 1.177 425 A CA 0.306 52.392 52.037 0.082 0.000 0.804 425 A CB -1.149 17.899 19.000 0.081 0.000 0.823 425 A HN 0.744 nan 8.150 nan 0.000 0.482 426 N N -2.714 116.053 118.700 0.111 0.000 2.738 426 N HA -0.236 4.503 4.740 -0.000 0.000 0.249 426 N C 0.292 175.882 175.510 0.133 0.000 1.047 426 N CA 0.535 53.644 53.050 0.098 0.000 0.707 426 N CB -1.206 37.313 38.487 0.053 0.000 0.937 426 N HN 0.469 nan 8.380 nan 0.000 0.545 427 F N 0.354 120.311 119.950 0.011 0.000 2.075 427 F HA -0.139 4.388 4.527 -0.000 0.000 0.297 427 F C 2.393 178.198 175.800 0.008 0.000 1.113 427 F CA 2.119 60.125 58.000 0.010 0.000 1.218 427 F CB -0.652 38.361 39.000 0.022 0.000 0.984 427 F HN 0.200 nan 8.300 nan 0.000 0.472 428 T N -0.754 113.794 114.554 -0.009 0.000 2.746 428 T HA -0.159 4.191 4.350 -0.000 0.000 0.267 428 T C 1.846 176.474 174.700 -0.119 0.000 1.039 428 T CA 1.979 64.012 62.100 -0.113 0.000 1.142 428 T CB -0.707 68.166 68.868 0.009 0.000 0.866 428 T HN 0.303 nan 8.240 nan 0.000 0.444 429 T N 1.875 116.394 114.554 -0.057 0.000 2.770 429 T HA -0.002 4.348 4.350 -0.000 0.000 0.263 429 T C 2.139 176.795 174.700 -0.073 0.000 1.039 429 T CA 0.683 62.754 62.100 -0.047 0.000 1.142 429 T CB -0.126 68.734 68.868 -0.014 0.000 0.868 429 T HN 0.293 nan 8.240 nan 0.000 0.435 430 R N 0.697 121.146 120.500 -0.085 0.000 2.081 430 R HA -0.005 4.335 4.340 -0.000 0.000 0.235 430 R C 2.724 178.931 176.300 -0.155 0.000 1.131 430 R CA 1.233 57.273 56.100 -0.099 0.000 0.960 430 R CB -0.256 30.002 30.300 -0.070 0.000 0.856 430 R HN 0.267 nan 8.270 nan 0.000 0.436 431 R N 0.456 120.796 120.500 -0.268 0.000 2.091 431 R HA -0.145 4.195 4.340 -0.000 0.000 0.238 431 R C 2.170 178.367 176.300 -0.172 0.000 1.136 431 R CA 1.700 57.615 56.100 -0.309 0.000 0.959 431 R CB -0.251 29.728 30.300 -0.535 0.000 0.856 431 R HN 0.234 nan 8.270 nan 0.000 0.437 432 A N 0.536 123.276 122.820 -0.134 0.000 1.898 432 A HA -0.174 4.145 4.320 -0.000 0.000 0.216 432 A C 1.891 179.452 177.584 -0.038 0.000 1.181 432 A CA 1.614 53.607 52.037 -0.074 0.000 0.620 432 A CB -0.401 18.564 19.000 -0.058 0.000 0.819 432 A HN 0.481 nan 8.150 nan 0.000 0.442 433 E N -0.398 119.780 120.200 -0.037 0.000 2.106 433 E HA -0.126 4.224 4.350 -0.000 0.000 0.192 433 E C 1.815 178.440 176.600 0.043 0.000 0.984 433 E CA 1.109 57.511 56.400 0.003 0.000 0.806 433 E CB -0.256 29.436 29.700 -0.014 0.000 0.750 433 E HN 0.704 nan 8.360 nan 0.000 0.458 434 I N 1.066 121.632 120.570 -0.007 0.000 2.252 434 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 434 I C 2.530 178.703 176.117 0.093 0.000 1.102 434 I CA 0.865 62.179 61.300 0.024 0.000 1.385 434 I CB -0.282 37.679 38.000 -0.064 0.000 1.064 434 I HN 0.082 nan 8.210 nan 0.000 0.414 435 A N 0.795 123.631 122.820 0.028 0.000 1.917 435 A HA -0.254 4.066 4.320 -0.000 0.000 0.219 435 A C 2.515 180.127 177.584 0.046 0.000 1.182 435 A CA 2.228 54.278 52.037 0.022 0.000 0.633 435 A CB -0.914 18.078 19.000 -0.014 0.000 0.819 435 A HN 0.453 nan 8.150 nan 0.000 0.448 436 A N -2.057 120.799 122.820 0.059 0.000 1.897 436 A HA -0.106 4.213 4.320 -0.000 0.000 0.215 436 A C 2.007 179.644 177.584 0.089 0.000 1.181 436 A CA 1.392 53.462 52.037 0.055 0.000 0.620 436 A CB -0.881 18.147 19.000 0.048 0.000 0.821 436 A HN 0.831 nan 8.150 nan 0.000 0.443 437 W N 1.411 122.687 121.300 -0.040 0.000 2.363 437 W HA -0.173 4.486 4.660 -0.000 0.000 0.296 437 W C 1.712 178.208 176.519 -0.039 0.000 1.212 437 W CA 1.829 59.152 57.345 -0.037 0.000 1.260 437 W CB -0.076 29.362 29.460 -0.037 0.000 1.131 437 W HN 0.348 nan 8.180 nan 0.000 0.530 438 N N 0.011 118.860 118.700 0.249 0.000 2.166 438 N HA -0.180 4.560 4.740 -0.000 0.000 0.186 438 N C 1.909 177.376 175.510 -0.072 0.000 1.019 438 N CA 2.105 55.221 53.050 0.109 0.000 0.856 438 N CB -1.052 37.512 38.487 0.128 0.000 0.993 438 N HN 0.257 nan 8.380 nan 0.000 0.426 439 S N -1.244 114.420 115.700 -0.060 0.000 2.515 439 S HA 0.003 4.473 4.470 -0.000 0.000 0.231 439 S C 1.613 176.130 174.600 -0.139 0.000 0.987 439 S CA 0.906 59.056 58.200 -0.083 0.000 0.936 439 S CB -0.364 62.805 63.200 -0.051 0.000 0.766 439 S HN 0.178 nan 8.310 nan 0.000 0.528 440 T N 1.577 115.996 114.554 -0.225 0.000 3.057 440 T HA 0.222 4.571 4.350 -0.000 0.000 0.254 440 T C 0.292 174.777 174.700 -0.358 0.000 1.094 440 T CA 0.173 62.104 62.100 -0.282 0.000 1.088 440 T CB -0.230 68.442 68.868 -0.327 0.000 0.934 440 T HN 0.470 nan 8.240 nan 0.000 0.497 441 N N 0.474 118.908 118.700 -0.443 0.000 2.443 441 N HA 0.559 5.299 4.740 -0.000 0.000 0.293 441 N C 0.868 176.247 175.510 -0.219 0.000 1.159 441 N CA -0.747 52.055 53.050 -0.413 0.000 0.904 441 N CB 1.793 39.870 38.487 -0.683 0.000 1.214 441 N HN 0.061 nan 8.380 nan 0.000 0.513 442 R N -0.370 120.035 120.500 -0.159 0.000 2.428 442 R HA 0.162 4.502 4.340 -0.000 0.000 0.193 442 R C 0.496 176.757 176.300 -0.064 0.000 0.852 442 R CA 0.382 56.426 56.100 -0.094 0.000 1.055 442 R CB -0.155 30.097 30.300 -0.080 0.000 1.343 442 R HN 0.510 nan 8.270 nan 0.000 0.655 443 T N 1.538 116.055 114.554 -0.063 0.000 2.942 443 T HA 0.222 4.572 4.350 -0.000 0.000 0.265 443 T C 0.666 175.365 174.700 -0.002 0.000 1.062 443 T CA 0.642 62.723 62.100 -0.031 0.000 1.139 443 T CB 0.051 68.904 68.868 -0.026 0.000 0.883 443 T HN 0.032 nan 8.240 nan 0.000 0.468 444 L N 0.696 121.924 121.223 0.009 0.000 2.331 444 L HA 0.768 5.107 4.340 -0.000 0.000 0.275 444 L C -0.445 176.531 176.870 0.177 0.000 1.022 444 L CA -1.173 53.740 54.840 0.121 0.000 0.812 444 L CB 1.627 43.846 42.059 0.267 0.000 1.257 444 L HN 0.032 nan 8.230 nan 0.000 0.435 445 A N 2.480 125.435 122.820 0.226 0.000 2.455 445 A HA 0.757 5.077 4.320 -0.000 0.000 0.300 445 A C -1.005 176.679 177.584 0.168 0.000 1.040 445 A CA -0.704 51.469 52.037 0.227 0.000 0.697 445 A CB 1.610 20.652 19.000 0.069 0.000 1.265 445 A HN 0.712 nan 8.150 nan 0.000 0.407 446 R N 0.548 121.141 120.500 0.154 0.000 2.604 446 R HA 0.715 5.055 4.340 -0.000 0.000 0.287 446 R C -0.083 176.180 176.300 -0.062 0.000 0.970 446 R CA -0.436 55.623 56.100 -0.068 0.000 0.946 446 R CB 2.392 32.507 30.300 -0.308 0.000 1.127 446 R HN 0.927 nan 8.270 nan 0.000 0.473 447 G N 1.426 110.169 108.800 -0.096 0.000 2.659 447 G HA2 0.663 4.622 3.960 -0.000 0.000 0.296 447 G HA3 0.663 4.622 3.960 -0.000 0.000 0.296 447 G C -1.615 173.245 174.900 -0.066 0.000 1.369 447 G CA -0.471 44.577 45.100 -0.086 0.000 0.937 447 G HN 0.496 nan 8.290 nan 0.000 0.485 448 I N 0.348 120.899 120.570 -0.031 0.000 2.722 448 I HA 0.771 4.941 4.170 -0.000 0.000 0.295 448 I C -0.574 175.619 176.117 0.126 0.000 1.161 448 I CA -0.757 60.567 61.300 0.040 0.000 1.032 448 I CB 2.122 40.139 38.000 0.028 0.000 1.244 448 I HN 0.888 nan 8.210 nan 0.000 0.421 449 A N 6.123 129.051 122.820 0.181 0.000 2.587 449 A HA 0.769 5.088 4.320 -0.000 0.000 0.293 449 A C -2.201 175.480 177.584 0.162 0.000 1.087 449 A CA -0.525 51.638 52.037 0.209 0.000 0.692 449 A CB 1.816 20.901 19.000 0.141 0.000 1.291 449 A HN 0.682 nan 8.150 nan 0.000 0.407 450 L N 1.057 122.338 121.223 0.097 0.000 2.322 450 L HA 0.849 5.189 4.340 -0.000 0.000 0.281 450 L C -0.224 176.691 176.870 0.074 0.000 1.014 450 L CA 0.073 54.897 54.840 -0.026 0.000 0.815 450 L CB 1.946 43.839 42.059 -0.276 0.000 1.247 450 L HN 0.724 nan 8.230 nan 0.000 0.421 451 S N 6.456 122.211 115.700 0.093 0.000 2.605 451 S HA 0.784 5.253 4.470 -0.000 0.000 0.308 451 S C -2.825 171.862 174.600 0.145 0.000 1.113 451 S CA -1.243 57.048 58.200 0.151 0.000 1.049 451 S CB 1.366 64.662 63.200 0.159 0.000 1.001 451 S HN 0.611 nan 8.310 nan 0.000 0.480 452 P HA 0.509 nan 4.420 nan 0.000 0.281 452 P C -1.193 176.175 177.300 0.114 0.000 1.264 452 P CA -0.651 62.524 63.100 0.125 0.000 0.824 452 P CB 1.189 33.001 31.700 0.187 0.000 1.092 453 V N 1.573 121.538 119.914 0.084 0.000 2.656 453 V HA 0.466 4.585 4.120 -0.000 0.000 0.307 453 V C 0.012 176.144 176.094 0.063 0.000 1.051 453 V CA -0.475 61.894 62.300 0.116 0.000 0.893 453 V CB 1.875 33.801 31.823 0.170 0.000 0.999 453 V HN 0.555 nan 8.190 nan 0.000 0.426 454 K N 4.359 124.786 120.400 0.045 0.000 2.616 454 K HA 0.486 4.806 4.320 -0.000 0.000 0.241 454 K C -2.061 174.558 176.600 0.031 0.000 0.961 454 K CA -0.418 55.782 56.287 -0.146 0.000 0.942 454 K CB 1.126 33.522 32.500 -0.174 0.000 1.153 454 K HN 0.564 nan 8.250 nan 0.000 0.452 455 F N 2.709 122.588 119.950 -0.119 0.000 2.427 455 F HA 0.482 5.009 4.527 -0.000 0.000 0.348 455 F C 0.339 176.036 175.800 -0.171 0.000 1.125 455 F CA -0.430 57.581 58.000 0.019 0.000 0.989 455 F CB 1.496 40.474 39.000 -0.037 0.000 1.165 455 F HN 0.595 nan 8.300 nan 0.000 0.442 456 G N 6.889 115.253 108.800 -0.726 0.000 2.378 456 G HA2 0.397 4.357 3.960 -0.000 0.000 0.255 456 G HA3 0.397 4.357 3.960 -0.000 0.000 0.255 456 G C -0.645 173.424 174.900 -1.386 0.000 1.270 456 G CA -0.484 43.679 45.100 -1.562 0.000 0.876 456 G HN 0.500 nan 8.290 nan 0.000 0.521 457 I N 1.274 121.272 120.570 -0.953 0.000 2.336 457 I HA 0.566 4.736 4.170 -0.000 0.000 0.292 457 I C 0.362 176.281 176.117 -0.330 0.000 0.991 457 I CA -0.201 60.736 61.300 -0.605 0.000 1.227 457 I CB 0.429 37.899 38.000 -0.883 0.000 1.366 457 I HN 0.496 nan 8.210 nan 0.000 0.466 458 S N 4.455 120.045 115.700 -0.184 0.000 2.899 458 S HA 0.095 4.565 4.470 -0.000 0.000 0.249 458 S C -0.737 173.791 174.600 -0.120 0.000 0.652 458 S CA -0.915 57.228 58.200 -0.094 0.000 1.024 458 S CB -0.096 63.097 63.200 -0.012 0.000 1.275 458 S HN 0.325 nan 8.310 nan 0.000 0.563 459 F N 2.495 122.394 119.950 -0.086 0.000 2.578 459 F HA 0.127 4.654 4.527 -0.000 0.000 0.376 459 F C 2.329 178.046 175.800 -0.138 0.000 1.085 459 F CA 0.889 58.811 58.000 -0.131 0.000 1.260 459 F CB 0.677 39.588 39.000 -0.148 0.000 1.095 459 F HN 0.800 nan 8.300 nan 0.000 0.573 460 T N 0.512 115.096 114.554 0.051 0.000 2.915 460 T HA -0.097 4.252 4.350 -0.000 0.000 0.269 460 T C 0.877 175.735 174.700 0.262 0.000 1.071 460 T CA 0.419 62.528 62.100 0.014 0.000 1.132 460 T CB -0.012 68.921 68.868 0.109 0.000 0.878 460 T HN 0.239 nan 8.240 nan 0.000 0.479 461 L N 3.143 124.454 121.223 0.147 0.000 2.401 461 L HA 0.304 4.644 4.340 -0.000 0.000 0.283 461 L C 1.316 178.110 176.870 -0.127 0.000 1.151 461 L CA 0.389 55.215 54.840 -0.024 0.000 0.942 461 L CB -0.492 41.456 42.059 -0.184 0.000 1.283 461 L HN 0.273 nan 8.230 nan 0.000 0.442 462 T N 2.602 117.152 114.554 -0.007 0.000 2.699 462 T HA -0.226 4.124 4.350 -0.000 0.000 0.268 462 T C 1.718 176.399 174.700 -0.031 0.000 1.036 462 T CA 2.109 64.220 62.100 0.018 0.000 1.147 462 T CB -0.216 68.706 68.868 0.089 0.000 0.862 462 T HN 0.726 nan 8.240 nan 0.000 0.446 463 H N 0.548 119.623 119.070 0.008 0.000 2.518 463 H HA 0.074 4.629 4.556 -0.000 0.000 0.289 463 H C 1.877 177.162 175.328 -0.071 0.000 1.051 463 H CA 0.646 56.683 56.048 -0.018 0.000 1.280 463 H CB -0.572 29.184 29.762 -0.011 0.000 1.380 463 H HN 0.349 nan 8.280 nan 0.000 0.566 464 L N 1.113 122.158 121.223 -0.297 0.000 2.610 464 L HA -0.008 4.332 4.340 -0.000 0.000 0.232 464 L C 0.615 177.279 176.870 -0.343 0.000 1.149 464 L CA 0.086 54.664 54.840 -0.437 0.000 0.872 464 L CB -0.197 41.277 42.059 -0.975 0.000 0.992 464 L HN 0.264 nan 8.230 nan 0.000 0.447 465 N N 2.309 120.976 118.700 -0.055 0.000 3.303 465 N HA 0.060 4.800 4.740 -0.000 0.000 0.304 465 N C -0.455 175.034 175.510 -0.035 0.000 1.302 465 N CA 0.101 53.201 53.050 0.084 0.000 1.213 465 N CB 0.297 38.843 38.487 0.098 0.000 1.481 465 N HN 0.529 nan 8.380 nan 0.000 0.546 466 Q N -0.674 119.098 119.800 -0.046 0.000 2.421 466 Q HA 0.846 5.186 4.340 -0.000 0.000 0.280 466 Q C -1.641 174.316 176.000 -0.072 0.000 1.085 466 Q CA -1.215 54.495 55.803 -0.156 0.000 0.807 466 Q CB 2.331 31.048 28.738 -0.035 0.000 1.405 466 Q HN 0.079 nan 8.270 nan 0.000 0.419 467 A N 0.586 123.298 122.820 -0.180 0.000 2.587 467 A HA 0.971 5.291 4.320 -0.000 0.000 0.293 467 A C -0.993 176.616 177.584 0.041 0.000 1.087 467 A CA -0.252 51.790 52.037 0.008 0.000 0.692 467 A CB 2.037 21.083 19.000 0.075 0.000 1.291 467 A HN 0.964 nan 8.150 nan 0.000 0.407 468 G N -0.873 108.032 108.800 0.175 0.000 2.667 468 G HA2 0.842 4.802 3.960 -0.000 0.000 0.298 468 G HA3 0.842 4.802 3.960 -0.000 0.000 0.298 468 G C -0.776 174.239 174.900 0.192 0.000 1.377 468 G CA 0.179 45.426 45.100 0.244 0.000 0.964 468 G HN 1.879 nan 8.290 nan 0.000 0.493 469 A N 0.170 123.092 122.820 0.170 0.000 2.515 469 A HA 0.855 5.175 4.320 -0.000 0.000 0.296 469 A C -1.769 175.875 177.584 0.100 0.000 1.094 469 A CA -0.693 51.429 52.037 0.142 0.000 0.718 469 A CB 2.165 21.240 19.000 0.125 0.000 1.307 469 A HN 1.516 nan 8.150 nan 0.000 0.408 470 L N 1.704 122.971 121.223 0.074 0.000 2.404 470 L HA 0.681 5.020 4.340 -0.000 0.000 0.272 470 L C -1.483 175.397 176.870 0.018 0.000 0.980 470 L CA -0.258 54.605 54.840 0.039 0.000 0.836 470 L CB 1.814 43.890 42.059 0.029 0.000 1.238 470 L HN 0.454 nan 8.230 nan 0.000 0.408 471 V N 4.664 124.578 119.914 0.000 0.000 2.448 471 V HA 0.606 4.726 4.120 -0.000 0.000 0.295 471 V C -0.648 175.403 176.094 -0.072 0.000 1.025 471 V CA -0.620 61.666 62.300 -0.023 0.000 0.859 471 V CB 1.616 33.434 31.823 -0.008 0.000 0.988 471 V HN 0.684 nan 8.190 nan 0.000 0.431 472 Q N 4.903 124.622 119.800 -0.135 0.000 2.331 472 Q HA 0.619 4.959 4.340 -0.000 0.000 0.267 472 Q C -1.042 174.745 176.000 -0.356 0.000 1.006 472 Q CA -0.426 55.204 55.803 -0.289 0.000 0.818 472 Q CB 3.043 31.509 28.738 -0.454 0.000 1.276 472 Q HN 0.690 nan 8.270 nan 0.000 0.450 473 I N 2.850 123.245 120.570 -0.292 0.000 2.330 473 I HA 0.312 4.482 4.170 -0.000 0.000 0.289 473 I C -0.455 175.514 176.117 -0.247 0.000 1.001 473 I CA -0.818 60.374 61.300 -0.180 0.000 1.193 473 I CB 0.480 38.483 38.000 0.005 0.000 1.345 473 I HN 0.466 nan 8.210 nan 0.000 0.461 474 Y N 2.962 123.273 120.300 0.019 0.000 2.298 474 Y HA 0.081 4.630 4.550 -0.000 0.000 0.329 474 Y C 2.081 177.945 175.900 -0.061 0.000 1.293 474 Y CA -0.422 57.660 58.100 -0.031 0.000 1.388 474 Y CB 0.903 39.345 38.460 -0.030 0.000 1.309 474 Y HN 0.651 nan 8.280 nan 0.000 0.544 475 T N -3.168 111.406 114.554 0.032 0.000 2.929 475 T HA -0.210 4.139 4.350 -0.000 0.000 0.271 475 T C 1.039 175.713 174.700 -0.043 0.000 1.085 475 T CA 1.445 63.473 62.100 -0.120 0.000 1.125 475 T CB -0.292 68.363 68.868 -0.355 0.000 0.874 475 T HN 0.797 nan 8.240 nan 0.000 0.494 476 D N 1.017 121.429 120.400 0.020 0.000 2.355 476 D HA 0.173 4.813 4.640 -0.000 0.000 0.218 476 D C 1.740 178.096 176.300 0.094 0.000 1.004 476 D CA 0.806 54.829 54.000 0.039 0.000 0.880 476 D CB -0.580 40.236 40.800 0.026 0.000 0.911 476 D HN 0.606 nan 8.370 nan 0.000 0.528 477 G N 0.383 109.263 108.800 0.133 0.000 2.232 477 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.226 477 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.226 477 G C 0.377 175.446 174.900 0.282 0.000 0.996 477 G CA 0.316 45.559 45.100 0.239 0.000 0.626 477 G HN 0.797 nan 8.290 nan 0.000 0.509 478 S N -0.034 115.792 115.700 0.209 0.000 2.564 478 S HA 0.631 5.101 4.470 -0.000 0.000 0.278 478 S C 0.095 174.828 174.600 0.221 0.000 1.333 478 S CA 0.014 58.327 58.200 0.188 0.000 1.048 478 S CB 2.276 65.566 63.200 0.150 0.000 0.900 478 S HN 1.151 nan 8.310 nan 0.000 0.505 479 V N 1.985 121.983 119.914 0.140 0.000 2.459 479 V HA 0.728 4.848 4.120 -0.000 0.000 0.295 479 V C 0.360 176.500 176.094 0.077 0.000 1.029 479 V CA -0.791 61.553 62.300 0.074 0.000 0.874 479 V CB 1.134 32.975 31.823 0.030 0.000 0.985 479 V HN 1.165 nan 8.190 nan 0.000 0.438 480 A N 5.145 127.988 122.820 0.038 0.000 2.260 480 A HA 0.794 5.114 4.320 -0.000 0.000 0.314 480 A C -0.888 176.697 177.584 0.001 0.000 1.257 480 A CA -0.357 51.717 52.037 0.062 0.000 0.871 480 A CB 0.681 19.766 19.000 0.141 0.000 1.166 480 A HN 0.843 nan 8.150 nan 0.000 0.522 481 L N 3.322 124.548 121.223 0.005 0.000 2.313 481 L HA 0.552 4.892 4.340 -0.000 0.000 0.283 481 L C -0.509 176.364 176.870 0.006 0.000 1.013 481 L CA -0.180 54.666 54.840 0.011 0.000 0.816 481 L CB 1.293 43.364 42.059 0.019 0.000 1.236 481 L HN 0.756 nan 8.230 nan 0.000 0.419 482 N N 2.897 121.615 118.700 0.029 0.000 2.371 482 N HA 0.398 5.138 4.740 -0.000 0.000 0.291 482 N C -1.518 174.037 175.510 0.076 0.000 1.053 482 N CA -0.369 52.678 53.050 -0.005 0.000 0.870 482 N CB 1.346 39.819 38.487 -0.023 0.000 1.503 482 N HN 0.957 nan 8.380 nan 0.000 0.485 483 H N -0.172 118.914 119.070 0.026 0.000 2.906 483 H HA 0.553 5.109 4.556 -0.000 0.000 0.337 483 H C 0.922 176.297 175.328 0.078 0.000 1.257 483 H CA -0.704 55.380 56.048 0.059 0.000 1.192 483 H CB 0.727 30.530 29.762 0.069 0.000 1.912 483 H HN 0.374 nan 8.280 nan 0.000 0.573 484 G N -0.800 108.124 108.800 0.207 0.000 2.623 484 G HA2 0.196 4.156 3.960 -0.000 0.000 0.214 484 G HA3 0.196 4.156 3.960 -0.000 0.000 0.214 484 G C 0.684 175.668 174.900 0.140 0.000 1.138 484 G CA 0.132 45.312 45.100 0.135 0.000 0.794 484 G HN 0.854 nan 8.290 nan 0.000 0.535 485 G N -0.025 108.964 108.800 0.314 0.000 2.507 485 G HA2 0.454 4.414 3.960 -0.000 0.000 0.271 485 G HA3 0.454 4.414 3.960 -0.000 0.000 0.271 485 G C -0.026 174.953 174.900 0.132 0.000 1.189 485 G CA 0.332 45.591 45.100 0.265 0.000 0.859 485 G HN 0.369 nan 8.290 nan 0.000 0.542 486 T N -1.572 113.030 114.554 0.079 0.000 2.855 486 T HA 0.526 4.875 4.350 -0.000 0.000 0.281 486 T C -0.451 174.209 174.700 -0.066 0.000 1.007 486 T CA -0.800 61.312 62.100 0.020 0.000 1.009 486 T CB 2.241 71.119 68.868 0.017 0.000 0.983 486 T HN 0.411 nan 8.240 nan 0.000 0.455 487 E N 3.049 123.169 120.200 -0.133 0.000 2.105 487 E HA 0.320 4.670 4.350 -0.000 0.000 0.285 487 E C 0.618 177.194 176.600 -0.039 0.000 1.055 487 E CA -0.571 55.714 56.400 -0.193 0.000 0.843 487 E CB 0.531 30.052 29.700 -0.298 0.000 1.067 487 E HN 0.767 nan 8.360 nan 0.000 0.398 488 M N 2.341 121.909 119.600 -0.054 0.000 2.412 488 M HA 0.453 4.933 4.480 -0.000 0.000 0.315 488 M C 0.801 177.052 176.300 -0.082 0.000 1.092 488 M CA 0.298 55.550 55.300 -0.079 0.000 0.974 488 M CB 0.710 33.208 32.600 -0.170 0.000 1.437 488 M HN 0.547 nan 8.290 nan 0.000 0.524 489 G N 1.828 110.641 108.800 0.022 0.000 2.211 489 G HA2 -0.241 3.718 3.960 -0.000 0.000 0.201 489 G HA3 -0.241 3.718 3.960 -0.000 0.000 0.201 489 G C 0.769 175.716 174.900 0.077 0.000 0.997 489 G CA 0.321 45.440 45.100 0.032 0.000 0.652 489 G HN 0.625 nan 8.290 nan 0.000 0.500 490 Q N 1.403 121.228 119.800 0.042 0.000 2.515 490 Q HA 0.289 4.629 4.340 -0.000 0.000 0.212 490 Q C 1.563 177.613 176.000 0.084 0.000 0.970 490 Q CA 1.400 57.224 55.803 0.036 0.000 0.941 490 Q CB -0.404 28.321 28.738 -0.022 0.000 0.998 490 Q HN 1.921 nan 8.270 nan 0.000 0.518 491 G N 1.821 110.722 108.800 0.169 0.000 2.225 491 G HA2 -0.284 3.675 3.960 -0.000 0.000 0.264 491 G HA3 -0.284 3.675 3.960 -0.000 0.000 0.264 491 G C 0.282 175.146 174.900 -0.060 0.000 1.060 491 G CA 0.387 45.528 45.100 0.068 0.000 0.833 491 G HN 0.401 nan 8.290 nan 0.000 0.498 492 L N -0.022 121.145 121.223 -0.094 0.000 1.994 492 L HA 0.048 4.388 4.340 -0.000 0.000 0.208 492 L C 2.582 179.428 176.870 -0.040 0.000 1.071 492 L CA 2.834 57.617 54.840 -0.095 0.000 0.745 492 L CB -0.519 41.474 42.059 -0.111 0.000 0.892 492 L HN 0.413 nan 8.230 nan 0.000 0.431 493 H N -0.204 118.862 119.070 -0.007 0.000 2.387 493 H HA 0.009 4.564 4.556 -0.000 0.000 0.299 493 H C 2.190 177.465 175.328 -0.088 0.000 1.090 493 H CA 1.191 57.241 56.048 0.005 0.000 1.332 493 H CB -0.803 28.952 29.762 -0.011 0.000 1.386 493 H HN 0.494 nan 8.280 nan 0.000 0.516 494 A N 1.531 124.321 122.820 -0.050 0.000 1.883 494 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 494 A C 2.345 179.892 177.584 -0.062 0.000 1.186 494 A CA 1.930 53.914 52.037 -0.088 0.000 0.624 494 A CB -0.361 18.556 19.000 -0.138 0.000 0.822 494 A HN 0.367 nan 8.150 nan 0.000 0.444 495 K N -1.223 119.141 120.400 -0.060 0.000 2.097 495 K HA -0.089 4.231 4.320 -0.000 0.000 0.206 495 K C 2.078 178.634 176.600 -0.074 0.000 1.049 495 K CA 1.411 57.658 56.287 -0.067 0.000 0.933 495 K CB -0.244 32.221 32.500 -0.059 0.000 0.717 495 K HN 0.362 nan 8.250 nan 0.000 0.442 496 M N 0.452 120.010 119.600 -0.070 0.000 2.099 496 M HA -0.114 4.366 4.480 -0.000 0.000 0.262 496 M C 2.344 178.617 176.300 -0.046 0.000 1.067 496 M CA 1.311 56.558 55.300 -0.088 0.000 1.124 496 M CB -0.869 31.643 32.600 -0.147 0.000 1.353 496 M HN -0.084 nan 8.290 nan 0.000 0.410 497 V N 0.588 120.485 119.914 -0.028 0.000 2.282 497 V HA -0.314 3.805 4.120 -0.000 0.000 0.249 497 V C 2.462 178.518 176.094 -0.063 0.000 1.057 497 V CA 1.816 64.094 62.300 -0.038 0.000 1.032 497 V CB -0.882 30.919 31.823 -0.037 0.000 0.645 497 V HN 0.524 nan 8.190 nan 0.000 0.447 498 Q N -0.709 119.043 119.800 -0.081 0.000 2.061 498 Q HA -0.192 4.148 4.340 -0.000 0.000 0.204 498 Q C 2.346 178.258 176.000 -0.148 0.000 0.984 498 Q CA 2.096 57.827 55.803 -0.120 0.000 0.846 498 Q CB -0.378 28.277 28.738 -0.138 0.000 0.902 498 Q HN 0.552 nan 8.270 nan 0.000 0.421 499 V N 0.901 120.744 119.914 -0.118 0.000 2.287 499 V HA -0.318 3.802 4.120 -0.000 0.000 0.248 499 V C 2.268 178.370 176.094 0.013 0.000 1.053 499 V CA 1.904 64.179 62.300 -0.042 0.000 1.027 499 V CB -1.088 30.771 31.823 0.061 0.000 0.646 499 V HN 0.444 nan 8.190 nan 0.000 0.447 500 A N -0.028 122.783 122.820 -0.014 0.000 1.883 500 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 500 A C 2.434 179.992 177.584 -0.043 0.000 1.186 500 A CA 2.416 54.443 52.037 -0.017 0.000 0.624 500 A CB -0.919 18.068 19.000 -0.021 0.000 0.822 500 A HN 0.595 nan 8.150 nan 0.000 0.444 501 A N -0.230 122.549 122.820 -0.069 0.000 1.877 501 A HA 0.150 4.469 4.320 -0.000 0.000 0.216 501 A C 2.542 180.077 177.584 -0.082 0.000 1.186 501 A CA 2.255 54.234 52.037 -0.097 0.000 0.620 501 A CB -1.141 17.801 19.000 -0.097 0.000 0.822 501 A HN 1.152 nan 8.150 nan 0.000 0.443 502 A N -0.596 122.180 122.820 -0.074 0.000 1.940 502 A HA -0.039 4.281 4.320 -0.000 0.000 0.219 502 A C 2.208 179.825 177.584 0.055 0.000 1.176 502 A CA 1.975 53.983 52.037 -0.048 0.000 0.631 502 A CB -0.885 18.006 19.000 -0.181 0.000 0.814 502 A HN 0.446 nan 8.150 nan 0.000 0.446 503 V N -0.320 119.642 119.914 0.081 0.000 2.453 503 V HA -0.150 3.970 4.120 -0.000 0.000 0.247 503 V C 2.308 178.397 176.094 -0.008 0.000 1.048 503 V CA 1.637 63.982 62.300 0.075 0.000 1.049 503 V CB -0.612 31.249 31.823 0.063 0.000 0.672 503 V HN 0.548 nan 8.190 nan 0.000 0.457 504 L N 0.404 121.597 121.223 -0.051 0.000 2.492 504 L HA 0.300 4.640 4.340 -0.000 0.000 0.223 504 L C 1.634 178.483 176.870 -0.036 0.000 1.132 504 L CA 0.823 55.602 54.840 -0.101 0.000 0.850 504 L CB -0.533 41.420 42.059 -0.177 0.000 0.966 504 L HN 0.541 nan 8.230 nan 0.000 0.454 505 G N 1.866 110.660 108.800 -0.009 0.000 2.225 505 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.264 505 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.264 505 G C 0.024 174.897 174.900 -0.046 0.000 1.060 505 G CA 0.596 45.724 45.100 0.047 0.000 0.833 505 G HN 0.478 nan 8.290 nan 0.000 0.498 506 I N -4.069 116.404 120.570 -0.162 0.000 3.108 506 I HA 0.740 4.910 4.170 -0.000 0.000 0.312 506 I C -0.189 175.849 176.117 -0.131 0.000 1.095 506 I CA -1.645 59.526 61.300 -0.215 0.000 1.000 506 I CB 1.760 39.479 38.000 -0.469 0.000 1.229 506 I HN -0.046 nan 8.210 nan 0.000 0.454 507 D N 3.873 124.214 120.400 -0.098 0.000 2.424 507 D HA 0.145 4.784 4.640 -0.000 0.000 0.244 507 D C -1.580 174.676 176.300 -0.074 0.000 1.134 507 D CA -1.739 52.221 54.000 -0.066 0.000 0.881 507 D CB 1.532 42.308 40.800 -0.039 0.000 1.191 507 D HN 0.356 nan 8.370 nan 0.000 0.445 508 P HA -0.146 nan 4.420 nan 0.000 0.220 508 P C 1.590 178.863 177.300 -0.046 0.000 1.144 508 P CA 0.458 63.522 63.100 -0.061 0.000 0.800 508 P CB 0.324 31.989 31.700 -0.059 0.000 0.772 509 V N 0.453 120.345 119.914 -0.037 0.000 2.407 509 V HA -0.214 3.906 4.120 -0.000 0.000 0.248 509 V C 2.508 178.592 176.094 -0.016 0.000 1.055 509 V CA 1.687 63.973 62.300 -0.023 0.000 1.049 509 V CB -1.166 30.647 31.823 -0.016 0.000 0.662 509 V HN 0.136 nan 8.190 nan 0.000 0.455 510 Q N -0.262 119.524 119.800 -0.023 0.000 2.500 510 Q HA 0.037 4.376 4.340 -0.000 0.000 0.213 510 Q C 0.350 176.348 176.000 -0.004 0.000 0.974 510 Q CA 0.475 56.273 55.803 -0.009 0.000 0.918 510 Q CB -0.112 28.604 28.738 -0.036 0.000 0.980 510 Q HN 0.511 nan 8.270 nan 0.000 0.505 511 V N 1.268 121.170 119.914 -0.020 0.000 2.417 511 V HA 0.386 4.506 4.120 -0.000 0.000 0.291 511 V C -0.127 175.961 176.094 -0.009 0.000 1.024 511 V CA -0.924 61.368 62.300 -0.014 0.000 0.861 511 V CB 1.920 33.723 31.823 -0.034 0.000 0.985 511 V HN -0.003 nan 8.190 nan 0.000 0.436 512 R N 3.779 124.282 120.500 0.005 0.000 2.514 512 R HA 0.653 4.993 4.340 -0.000 0.000 0.301 512 R C -0.994 175.287 176.300 -0.031 0.000 0.962 512 R CA -0.526 55.569 56.100 -0.008 0.000 0.882 512 R CB 1.455 31.763 30.300 0.014 0.000 1.143 512 R HN 0.671 nan 8.270 nan 0.000 0.452 513 I N 3.305 123.830 120.570 -0.075 0.000 2.428 513 I HA 0.352 4.521 4.170 -0.000 0.000 0.289 513 I C -0.459 175.560 176.117 -0.163 0.000 1.019 513 I CA 0.461 61.667 61.300 -0.157 0.000 1.351 513 I CB 1.471 39.297 38.000 -0.291 0.000 1.412 513 I HN 0.879 nan 8.210 nan 0.000 0.513 514 T N 4.527 118.975 114.554 -0.176 0.000 2.918 514 T HA 0.843 5.192 4.350 -0.000 0.000 0.286 514 T C -0.009 174.584 174.700 -0.177 0.000 1.026 514 T CA -0.661 61.362 62.100 -0.129 0.000 1.031 514 T CB 1.304 70.135 68.868 -0.061 0.000 1.046 514 T HN 0.880 nan 8.240 nan 0.000 0.479 515 A N 2.173 124.932 122.820 -0.101 0.000 2.520 515 A HA 0.450 4.770 4.320 -0.000 0.000 0.235 515 A C 0.865 178.402 177.584 -0.079 0.000 1.065 515 A CA -0.308 51.690 52.037 -0.066 0.000 0.764 515 A CB -0.727 18.266 19.000 -0.011 0.000 1.002 515 A HN 0.929 nan 8.150 nan 0.000 0.502 516 T N 2.097 116.616 114.554 -0.058 0.000 2.867 516 T HA 0.337 4.687 4.350 -0.000 0.000 0.297 516 T C -0.236 174.435 174.700 -0.048 0.000 0.989 516 T CA 0.937 62.996 62.100 -0.068 0.000 1.159 516 T CB 0.022 68.870 68.868 -0.032 0.000 0.928 516 T HN 0.721 nan 8.240 nan 0.000 0.538 517 D N 1.005 121.376 120.400 -0.048 0.000 2.964 517 D HA 0.313 4.953 4.640 -0.000 0.000 0.234 517 D C 1.191 177.475 176.300 -0.027 0.000 1.223 517 D CA -0.623 53.350 54.000 -0.045 0.000 0.889 517 D CB 1.316 42.090 40.800 -0.043 0.000 1.609 517 D HN 0.399 nan 8.370 nan 0.000 0.523 518 T N -0.420 114.114 114.554 -0.033 0.000 3.023 518 T HA -0.084 4.266 4.350 -0.000 0.000 0.266 518 T C 1.661 176.360 174.700 -0.002 0.000 1.093 518 T CA 1.062 63.153 62.100 -0.015 0.000 1.129 518 T CB -0.228 68.618 68.868 -0.037 0.000 0.899 518 T HN 0.286 nan 8.240 nan 0.000 0.491 519 S N 0.382 116.075 115.700 -0.012 0.000 2.593 519 S HA 0.239 4.709 4.470 -0.000 0.000 0.217 519 S C 1.604 176.207 174.600 0.005 0.000 0.966 519 S CA -0.294 57.906 58.200 -0.001 0.000 0.914 519 S CB -0.128 63.066 63.200 -0.011 0.000 0.776 519 S HN 0.583 nan 8.310 nan 0.000 0.523 520 K N 0.344 120.747 120.400 0.004 0.000 2.273 520 K HA 0.318 4.638 4.320 -0.000 0.000 0.206 520 K C -0.428 176.188 176.600 0.026 0.000 1.072 520 K CA 0.371 56.665 56.287 0.011 0.000 0.953 520 K CB 0.471 32.972 32.500 0.001 0.000 1.043 520 K HN 0.154 nan 8.250 nan 0.000 0.477 521 V N 4.764 124.698 119.914 0.033 0.000 2.350 521 V HA 0.292 4.411 4.120 -0.000 0.000 0.285 521 V C -2.521 173.612 176.094 0.064 0.000 1.014 521 V CA -1.839 60.498 62.300 0.062 0.000 0.831 521 V CB 1.282 33.154 31.823 0.081 0.000 1.000 521 V HN 0.129 nan 8.190 nan 0.000 0.433 522 P HA 0.439 nan 4.420 nan 0.000 0.285 522 P C -0.345 177.013 177.300 0.098 0.000 1.280 522 P CA -0.544 62.599 63.100 0.072 0.000 0.862 522 P CB 0.857 32.593 31.700 0.060 0.000 1.153 523 N N -2.039 116.723 118.700 0.102 0.000 2.735 523 N HA -0.109 4.631 4.740 -0.000 0.000 0.248 523 N C 0.090 175.684 175.510 0.140 0.000 1.083 523 N CA 1.203 54.326 53.050 0.122 0.000 0.703 523 N CB -2.399 36.154 38.487 0.110 0.000 1.005 523 N HN 0.687 nan 8.380 nan 0.000 0.550 524 T N -3.032 111.606 114.554 0.140 0.000 2.868 524 T HA 0.513 4.863 4.350 -0.000 0.000 0.292 524 T C 0.910 175.703 174.700 0.154 0.000 1.028 524 T CA -0.424 61.761 62.100 0.141 0.000 1.059 524 T CB 1.678 70.626 68.868 0.132 0.000 0.991 524 T HN 0.109 nan 8.240 nan 0.000 0.531 525 S N 0.457 116.169 115.700 0.021 0.000 2.686 525 S HA 0.637 5.107 4.470 -0.000 0.000 0.270 525 S C 0.635 174.943 174.600 -0.487 0.000 1.194 525 S CA -0.655 57.413 58.200 -0.220 0.000 0.990 525 S CB 0.331 63.276 63.200 -0.425 0.000 1.029 525 S HN 1.134 nan 8.310 nan 0.000 0.560 526 A N 0.995 123.201 122.820 -1.024 0.000 2.407 526 A HA 0.412 4.732 4.320 -0.000 0.000 0.248 526 A C 0.316 177.840 177.584 -0.099 0.000 1.082 526 A CA -0.357 51.268 52.037 -0.687 0.000 0.785 526 A CB -0.345 18.347 19.000 -0.514 0.000 1.020 526 A HN 0.644 nan 8.150 nan 0.000 0.489 527 T N 2.182 116.721 114.554 -0.024 0.000 2.961 527 T HA 0.486 4.836 4.350 -0.000 0.000 0.270 527 T C 0.316 175.022 174.700 0.010 0.000 0.926 527 T CA 0.934 63.053 62.100 0.032 0.000 1.112 527 T CB -0.751 68.131 68.868 0.023 0.000 0.926 527 T HN 1.183 nan 8.240 nan 0.000 0.612 528 A N 2.019 124.852 122.820 0.021 0.000 2.515 528 A HA 0.874 5.194 4.320 -0.000 0.000 0.299 528 A C 0.571 177.905 177.584 -0.416 0.000 1.179 528 A CA -0.358 51.610 52.037 -0.116 0.000 0.656 528 A CB 0.229 19.202 19.000 -0.046 0.000 1.306 528 A HN 1.496 nan 8.150 nan 0.000 0.459 529 A N -0.930 121.576 122.820 -0.522 0.000 2.847 529 A HA 0.047 4.366 4.320 -0.000 0.000 0.263 529 A C 1.276 178.661 177.584 -0.331 0.000 1.391 529 A CA 1.760 53.430 52.037 -0.612 0.000 0.866 529 A CB -2.530 15.667 19.000 -1.338 0.000 1.057 529 A HN 2.503 nan 8.150 nan 0.000 0.673 530 S N -2.978 112.595 115.700 -0.211 0.000 3.017 530 S HA -0.357 4.113 4.470 -0.000 0.000 0.283 530 S C 1.272 175.814 174.600 -0.097 0.000 1.304 530 S CA 2.325 60.450 58.200 -0.125 0.000 1.224 530 S CB -2.365 60.777 63.200 -0.097 0.000 1.480 530 S HN 2.523 nan 8.310 nan 0.000 0.698 531 S N 0.847 116.454 115.700 -0.156 0.000 2.607 531 S HA 0.280 4.750 4.470 -0.000 0.000 0.224 531 S C 1.908 176.510 174.600 0.004 0.000 0.969 531 S CA 0.692 58.850 58.200 -0.071 0.000 0.927 531 S CB -0.414 62.719 63.200 -0.112 0.000 0.772 531 S HN 0.820 nan 8.310 nan 0.000 0.533 532 G N 2.214 111.009 108.800 -0.008 0.000 2.491 532 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.218 532 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.218 532 G C 1.626 176.526 174.900 -0.001 0.000 1.180 532 G CA 0.883 45.996 45.100 0.021 0.000 0.774 532 G HN 0.776 nan 8.290 nan 0.000 0.562 533 A N 0.419 123.228 122.820 -0.018 0.000 1.968 533 A HA 0.069 4.389 4.320 -0.000 0.000 0.217 533 A C 2.061 179.625 177.584 -0.033 0.000 1.169 533 A CA 1.964 53.979 52.037 -0.038 0.000 0.638 533 A CB -0.355 18.631 19.000 -0.023 0.000 0.812 533 A HN 0.298 nan 8.150 nan 0.000 0.446 534 D N -0.091 120.309 120.400 -0.000 0.000 2.108 534 D HA -0.177 4.463 4.640 -0.000 0.000 0.190 534 D C 2.106 178.363 176.300 -0.071 0.000 0.995 534 D CA 1.969 55.970 54.000 0.003 0.000 0.834 534 D CB -0.233 40.615 40.800 0.081 0.000 0.967 534 D HN 0.478 nan 8.370 nan 0.000 0.446 535 M N -0.363 119.241 119.600 0.008 0.000 2.248 535 M HA 0.002 4.482 4.480 -0.000 0.000 0.265 535 M C 1.754 178.045 176.300 -0.014 0.000 1.079 535 M CA 0.555 55.889 55.300 0.056 0.000 1.150 535 M CB -0.138 32.592 32.600 0.216 0.000 1.366 535 M HN -0.048 nan 8.290 nan 0.000 0.433 536 N N 1.017 119.709 118.700 -0.012 0.000 2.120 536 N HA -0.093 4.646 4.740 -0.000 0.000 0.188 536 N C 1.874 177.315 175.510 -0.115 0.000 1.024 536 N CA 1.689 54.710 53.050 -0.048 0.000 0.852 536 N CB -0.571 37.850 38.487 -0.110 0.000 1.003 536 N HN 0.435 nan 8.380 nan 0.000 0.424 537 G N 2.142 110.864 108.800 -0.130 0.000 2.529 537 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.219 537 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.219 537 G C 1.560 176.383 174.900 -0.129 0.000 1.177 537 G CA 0.843 45.879 45.100 -0.105 0.000 0.773 537 G HN 0.141 nan 8.290 nan 0.000 0.573 538 M N 1.088 120.535 119.600 -0.254 0.000 2.080 538 M HA -0.018 4.462 4.480 -0.000 0.000 0.260 538 M C 3.051 179.252 176.300 -0.164 0.000 1.068 538 M CA 1.475 56.548 55.300 -0.377 0.000 1.109 538 M CB -1.347 30.625 32.600 -1.048 0.000 1.342 538 M HN 0.342 nan 8.290 nan 0.000 0.405 539 A N -0.479 122.299 122.820 -0.069 0.000 1.933 539 A HA -0.079 4.241 4.320 -0.000 0.000 0.218 539 A C 2.445 180.049 177.584 0.033 0.000 1.175 539 A CA 1.666 53.723 52.037 0.034 0.000 0.628 539 A CB -0.938 18.105 19.000 0.071 0.000 0.814 539 A HN 0.302 nan 8.150 nan 0.000 0.444 540 V N 0.295 120.212 119.914 0.004 0.000 2.343 540 V HA -0.274 3.846 4.120 -0.000 0.000 0.247 540 V C 2.551 178.648 176.094 0.005 0.000 1.051 540 V CA 2.391 64.697 62.300 0.011 0.000 1.036 540 V CB -0.626 31.189 31.823 -0.013 0.000 0.654 540 V HN 0.728 nan 8.190 nan 0.000 0.451 541 K N 0.082 120.473 120.400 -0.014 0.000 2.063 541 K HA -0.286 4.033 4.320 -0.000 0.000 0.208 541 K C 1.901 178.487 176.600 -0.023 0.000 1.048 541 K CA 2.230 58.504 56.287 -0.023 0.000 0.928 541 K CB -0.296 32.154 32.500 -0.083 0.000 0.713 541 K HN 0.511 nan 8.250 nan 0.000 0.442 542 D N -0.101 120.294 120.400 -0.008 0.000 2.097 542 D HA -0.108 4.532 4.640 -0.000 0.000 0.195 542 D C 1.713 178.028 176.300 0.024 0.000 0.989 542 D CA 1.589 55.601 54.000 0.020 0.000 0.827 542 D CB -0.103 40.736 40.800 0.065 0.000 0.966 542 D HN 0.334 nan 8.370 nan 0.000 0.456 543 A N -0.566 122.274 122.820 0.032 0.000 1.972 543 A HA -0.140 4.179 4.320 -0.000 0.000 0.219 543 A C 2.549 180.136 177.584 0.004 0.000 1.169 543 A CA 1.390 53.443 52.037 0.027 0.000 0.635 543 A CB -0.892 18.130 19.000 0.037 0.000 0.810 543 A HN 0.485 nan 8.150 nan 0.000 0.446 544 C N -0.942 118.357 119.300 -0.003 0.000 2.466 544 C HA -0.015 4.445 4.460 -0.000 0.000 0.278 544 C C 2.610 177.573 174.990 -0.045 0.000 1.288 544 C CA 1.028 60.035 59.018 -0.020 0.000 1.722 544 C CB -1.096 26.635 27.740 -0.015 0.000 2.017 544 C HN 0.686 nan 8.230 nan 0.000 0.488 545 E N 0.251 120.428 120.200 -0.039 0.000 2.150 545 E HA -0.151 4.199 4.350 -0.000 0.000 0.193 545 E C 2.071 178.644 176.600 -0.045 0.000 0.985 545 E CA 1.499 57.868 56.400 -0.052 0.000 0.814 545 E CB -0.134 29.544 29.700 -0.038 0.000 0.752 545 E HN 0.606 nan 8.360 nan 0.000 0.466 546 T N 1.380 115.920 114.554 -0.023 0.000 2.674 546 T HA -0.148 4.202 4.350 -0.000 0.000 0.265 546 T C 1.931 176.615 174.700 -0.027 0.000 1.039 546 T CA 0.953 63.044 62.100 -0.014 0.000 1.150 546 T CB -0.205 68.663 68.868 0.000 0.000 0.864 546 T HN 0.088 nan 8.240 nan 0.000 0.427 547 L N 0.212 121.415 121.223 -0.034 0.000 2.027 547 L HA -0.022 4.318 4.340 -0.000 0.000 0.206 547 L C 2.995 179.816 176.870 -0.082 0.000 1.074 547 L CA 1.173 55.991 54.840 -0.038 0.000 0.745 547 L CB -0.500 41.549 42.059 -0.017 0.000 0.898 547 L HN 0.093 nan 8.230 nan 0.000 0.433 548 R N 0.390 120.797 120.500 -0.156 0.000 2.091 548 R HA -0.169 4.171 4.340 -0.000 0.000 0.238 548 R C 2.214 178.357 176.300 -0.263 0.000 1.136 548 R CA 1.732 57.601 56.100 -0.386 0.000 0.959 548 R CB -0.664 29.387 30.300 -0.414 0.000 0.856 548 R HN 0.466 nan 8.270 nan 0.000 0.437 549 G N 0.425 109.161 108.800 -0.107 0.000 2.418 549 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.217 549 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.217 549 G C 1.543 176.461 174.900 0.029 0.000 1.158 549 G CA 0.475 45.566 45.100 -0.016 0.000 0.771 549 G HN 0.320 nan 8.290 nan 0.000 0.545 550 R N -0.305 120.202 120.500 0.013 0.000 2.070 550 R HA 0.055 4.395 4.340 -0.000 0.000 0.233 550 R C 2.673 179.034 176.300 0.102 0.000 1.137 550 R CA 1.141 57.264 56.100 0.038 0.000 0.945 550 R CB -0.521 29.780 30.300 0.002 0.000 0.845 550 R HN 0.324 nan 8.270 nan 0.000 0.430 551 L N 0.070 121.359 121.223 0.111 0.000 2.046 551 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 551 L C 2.704 179.821 176.870 0.410 0.000 1.077 551 L CA 1.242 56.238 54.840 0.261 0.000 0.747 551 L CB -0.626 41.609 42.059 0.293 0.000 0.896 551 L HN 0.279 nan 8.230 nan 0.000 0.432 552 A N 0.392 123.460 122.820 0.412 0.000 1.902 552 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 552 A C 2.404 180.108 177.584 0.201 0.000 1.181 552 A CA 1.795 54.072 52.037 0.399 0.000 0.623 552 A CB -1.237 17.987 19.000 0.374 0.000 0.818 552 A HN 0.447 nan 8.150 nan 0.000 0.443 553 G N -1.374 107.523 108.800 0.161 0.000 2.422 553 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.218 553 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.218 553 G C 1.418 176.385 174.900 0.113 0.000 1.140 553 G CA 1.118 46.283 45.100 0.110 0.000 0.775 553 G HN 0.519 nan 8.290 nan 0.000 0.545 554 F N 1.566 121.519 119.950 0.006 0.000 2.084 554 F HA -0.058 4.469 4.527 -0.001 0.000 0.296 554 F C 2.588 178.349 175.800 -0.065 0.000 1.111 554 F CA 1.424 59.404 58.000 -0.035 0.000 1.224 554 F CB -0.509 38.462 39.000 -0.047 0.000 0.991 554 F HN -0.009 nan 8.300 nan 0.000 0.471 555 V N 0.976 120.701 119.914 -0.315 0.000 2.407 555 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 555 V C 2.812 178.738 176.094 -0.280 0.000 1.055 555 V CA 1.731 63.755 62.300 -0.461 0.000 1.049 555 V CB -1.724 29.949 31.823 -0.250 0.000 0.662 555 V HN 0.531 nan 8.190 nan 0.000 0.455 556 A N 0.027 122.775 122.820 -0.119 0.000 1.902 556 A HA -0.114 4.205 4.320 -0.000 0.000 0.217 556 A C 2.409 179.941 177.584 -0.087 0.000 1.181 556 A CA 2.178 54.179 52.037 -0.060 0.000 0.623 556 A CB -0.718 18.283 19.000 0.002 0.000 0.818 556 A HN 0.566 nan 8.150 nan 0.000 0.443 557 A N -1.080 121.674 122.820 -0.111 0.000 1.897 557 A HA -0.068 4.252 4.320 -0.000 0.000 0.215 557 A C 2.277 179.766 177.584 -0.159 0.000 1.181 557 A CA 1.320 53.297 52.037 -0.100 0.000 0.620 557 A CB -0.447 18.518 19.000 -0.057 0.000 0.821 557 A HN 0.376 nan 8.150 nan 0.000 0.443 558 R N -0.285 120.028 120.500 -0.311 0.000 2.115 558 R HA -0.067 4.273 4.340 -0.000 0.000 0.230 558 R C 0.674 176.837 176.300 -0.230 0.000 1.111 558 R CA 1.316 57.200 56.100 -0.359 0.000 0.976 558 R CB -0.044 29.812 30.300 -0.739 0.000 0.870 558 R HN 0.457 nan 8.270 nan 0.000 0.445 559 E N -0.936 119.148 120.200 -0.193 0.000 2.498 559 E HA 0.114 4.464 4.350 -0.000 0.000 0.203 559 E C 0.126 176.704 176.600 -0.036 0.000 1.013 559 E CA 0.340 56.699 56.400 -0.070 0.000 0.927 559 E CB 0.666 30.368 29.700 0.002 0.000 1.012 559 E HN 0.422 nan 8.360 nan 0.000 0.482 560 G N 2.349 111.116 108.800 -0.055 0.000 2.438 560 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.272 560 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.272 560 G C 0.292 175.184 174.900 -0.013 0.000 0.991 560 G CA 0.359 45.441 45.100 -0.030 0.000 1.348 560 G HN 0.474 nan 8.290 nan 0.000 0.483 561 C N -1.515 117.778 119.300 -0.011 0.000 3.131 561 C HA 0.900 5.359 4.460 -0.000 0.000 0.322 561 C C 0.723 175.717 174.990 0.008 0.000 1.368 561 C CA -0.517 58.502 59.018 0.002 0.000 1.191 561 C CB 0.828 28.574 27.740 0.009 0.000 1.447 561 C HN 2.535 nan 8.230 nan 0.000 0.425 562 A N 0.675 123.505 122.820 0.017 0.000 2.511 562 A HA 0.571 4.891 4.320 -0.000 0.000 0.242 562 A C 1.400 179.007 177.584 0.038 0.000 1.069 562 A CA 0.682 52.734 52.037 0.025 0.000 0.763 562 A CB 0.013 19.029 19.000 0.026 0.000 1.001 562 A HN 2.513 nan 8.150 nan 0.000 0.498 563 A N 2.587 125.434 122.820 0.046 0.000 2.015 563 A HA -0.101 4.219 4.320 -0.000 0.000 0.219 563 A C 1.944 179.585 177.584 0.095 0.000 1.163 563 A CA 1.435 53.515 52.037 0.072 0.000 0.646 563 A CB -0.343 18.700 19.000 0.071 0.000 0.806 563 A HN 0.966 nan 8.150 nan 0.000 0.448 564 R N -0.832 119.712 120.500 0.073 0.000 2.328 564 R HA 0.078 4.418 4.340 -0.000 0.000 0.200 564 R C -0.448 175.898 176.300 0.077 0.000 0.983 564 R CA 1.035 57.181 56.100 0.077 0.000 1.062 564 R CB -0.163 30.169 30.300 0.054 0.000 0.956 564 R HN 0.162 nan 8.270 nan 0.000 0.479 565 D N 0.590 121.033 120.400 0.073 0.000 2.440 565 D HA 0.104 4.744 4.640 -0.000 0.000 0.216 565 D C -0.515 175.827 176.300 0.070 0.000 1.150 565 D CA -0.008 54.029 54.000 0.062 0.000 0.832 565 D CB 1.037 41.863 40.800 0.042 0.000 0.992 565 D HN -0.006 nan 8.370 nan 0.000 0.502 566 V N 2.351 122.326 119.914 0.102 0.000 2.385 566 V HA 0.299 4.419 4.120 -0.000 0.000 0.269 566 V C 0.457 176.629 176.094 0.129 0.000 1.043 566 V CA -0.540 61.812 62.300 0.087 0.000 0.906 566 V CB 1.222 33.119 31.823 0.123 0.000 0.995 566 V HN -0.054 nan 8.190 nan 0.000 0.467 567 I N 5.116 125.704 120.570 0.030 0.000 2.336 567 I HA 0.438 4.608 4.170 -0.000 0.000 0.292 567 I C -0.769 175.344 176.117 -0.006 0.000 0.991 567 I CA -0.189 61.167 61.300 0.094 0.000 1.227 567 I CB 1.171 39.210 38.000 0.067 0.000 1.366 567 I HN 0.373 nan 8.210 nan 0.000 0.466 568 F N 4.123 124.144 119.950 0.118 0.000 2.308 568 F HA 0.429 4.956 4.527 -0.000 0.000 0.370 568 F C -0.191 175.665 175.800 0.093 0.000 1.100 568 F CA -0.503 57.584 58.000 0.145 0.000 1.108 568 F CB 0.888 39.990 39.000 0.171 0.000 1.293 568 F HN 0.398 nan 8.300 nan 0.000 0.478 569 D N 1.687 122.198 120.400 0.186 0.000 2.977 569 D HA 0.568 5.208 4.640 -0.000 0.000 0.220 569 D C -0.559 175.786 176.300 0.075 0.000 1.267 569 D CA -0.234 53.833 54.000 0.113 0.000 0.884 569 D CB 1.731 42.580 40.800 0.081 0.000 1.667 569 D HN 0.672 nan 8.370 nan 0.000 0.536 570 A N 2.862 125.709 122.820 0.045 0.000 2.519 570 A HA 0.204 4.524 4.320 -0.000 0.000 0.297 570 A C 1.468 179.077 177.584 0.041 0.000 1.472 570 A CA 1.691 53.742 52.037 0.024 0.000 0.739 570 A CB -2.099 16.911 19.000 0.018 0.000 1.096 570 A HN 1.878 nan 8.150 nan 0.000 0.414 571 G N -1.633 107.194 108.800 0.045 0.000 2.233 571 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.270 571 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.270 571 G C -0.062 174.941 174.900 0.170 0.000 1.011 571 G CA 1.065 46.225 45.100 0.100 0.000 0.762 571 G HN 1.501 nan 8.290 nan 0.000 0.511 572 Q N -0.553 119.336 119.800 0.149 0.000 2.321 572 Q HA 0.578 4.918 4.340 -0.000 0.000 0.270 572 Q C -0.281 175.778 176.000 0.099 0.000 1.032 572 Q CA -0.653 55.225 55.803 0.125 0.000 0.784 572 Q CB 2.569 31.341 28.738 0.056 0.000 1.264 572 Q HN 0.186 nan 8.270 nan 0.000 0.448 573 V N 2.414 122.381 119.914 0.089 0.000 2.439 573 V HA 0.371 4.491 4.120 -0.000 0.000 0.282 573 V C -0.215 175.898 176.094 0.031 0.000 1.039 573 V CA -0.486 61.743 62.300 -0.118 0.000 0.913 573 V CB 1.635 33.350 31.823 -0.180 0.000 0.983 573 V HN 0.672 nan 8.190 nan 0.000 0.460 574 Q N 2.624 122.382 119.800 -0.069 0.000 2.290 574 Q HA 0.747 5.087 4.340 -0.000 0.000 0.269 574 Q C -0.998 175.022 176.000 0.033 0.000 1.016 574 Q CA -0.287 55.513 55.803 -0.006 0.000 0.754 574 Q CB 1.934 30.651 28.738 -0.035 0.000 1.247 574 Q HN 0.995 nan 8.270 nan 0.000 0.451 575 A N 1.828 124.718 122.820 0.118 0.000 2.547 575 A HA 0.627 4.947 4.320 -0.000 0.000 0.297 575 A C -0.223 177.418 177.584 0.095 0.000 1.056 575 A CA -0.304 51.800 52.037 0.112 0.000 0.688 575 A CB 1.604 20.686 19.000 0.136 0.000 1.282 575 A HN 0.691 nan 8.150 nan 0.000 0.400 576 S N 0.352 116.079 115.700 0.044 0.000 3.682 576 S HA -0.057 4.412 4.470 -0.000 0.000 0.354 576 S C 1.753 176.338 174.600 -0.024 0.000 1.034 576 S CA 2.082 60.295 58.200 0.023 0.000 1.084 576 S CB -1.406 61.827 63.200 0.055 0.000 0.903 576 S HN 2.898 nan 8.310 nan 0.000 0.470 577 G N -0.148 108.619 108.800 -0.054 0.000 2.550 577 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.233 577 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.233 577 G C 0.073 174.866 174.900 -0.178 0.000 1.170 577 G CA 0.774 45.819 45.100 -0.092 0.000 0.693 577 G HN 0.700 nan 8.290 nan 0.000 0.512 578 K N 1.225 121.469 120.400 -0.261 0.000 2.219 578 K HA 0.561 4.881 4.320 -0.000 0.000 0.258 578 K C 0.414 176.542 176.600 -0.786 0.000 1.008 578 K CA 0.531 56.487 56.287 -0.553 0.000 0.928 578 K CB 1.264 33.358 32.500 -0.678 0.000 0.983 578 K HN 0.695 nan 8.250 nan 0.000 0.484 579 S N 0.781 115.917 115.700 -0.940 0.000 2.546 579 S HA 0.565 5.035 4.470 -0.000 0.000 0.274 579 S C -1.373 172.780 174.600 -0.746 0.000 1.121 579 S CA -1.056 56.715 58.200 -0.714 0.000 0.887 579 S CB 1.064 64.099 63.200 -0.276 0.000 1.094 579 S HN 0.604 nan 8.310 nan 0.000 0.474 580 W N 0.888 122.166 121.300 -0.037 0.000 2.902 580 W HA 0.525 5.185 4.660 -0.000 0.000 0.346 580 W C 0.350 176.877 176.519 0.014 0.000 1.139 580 W CA -1.056 56.282 57.345 -0.012 0.000 1.139 580 W CB 1.743 31.193 29.460 -0.016 0.000 1.439 580 W HN 0.604 nan 8.180 nan 0.000 0.558 581 R N 0.649 121.314 120.500 0.274 0.000 2.641 581 R HA 0.062 4.402 4.340 -0.000 0.000 0.269 581 R C 1.198 177.656 176.300 0.263 0.000 1.074 581 R CA -0.373 55.862 56.100 0.226 0.000 1.133 581 R CB 0.500 30.905 30.300 0.175 0.000 1.029 581 R HN 0.416 nan 8.270 nan 0.000 0.488 582 F N 2.368 122.398 119.950 0.133 0.000 2.091 582 F HA -0.291 4.235 4.527 -0.000 0.000 0.299 582 F C 2.077 177.955 175.800 0.130 0.000 1.103 582 F CA 2.232 60.322 58.000 0.150 0.000 1.228 582 F CB -0.259 38.832 39.000 0.152 0.000 0.984 582 F HN 0.686 nan 8.300 nan 0.000 0.477 583 A N -0.144 122.807 122.820 0.218 0.000 1.940 583 A HA -0.233 4.086 4.320 -0.000 0.000 0.219 583 A C 2.135 179.732 177.584 0.021 0.000 1.176 583 A CA 1.958 54.055 52.037 0.101 0.000 0.631 583 A CB -0.908 18.175 19.000 0.138 0.000 0.814 583 A HN 0.583 nan 8.150 nan 0.000 0.446 584 E N -0.467 119.771 120.200 0.064 0.000 2.051 584 E HA -0.175 4.175 4.350 -0.000 0.000 0.192 584 E C 1.924 178.511 176.600 -0.022 0.000 0.991 584 E CA 1.220 57.653 56.400 0.055 0.000 0.799 584 E CB -0.246 29.544 29.700 0.148 0.000 0.748 584 E HN 0.533 nan 8.360 nan 0.000 0.449 585 I N 0.813 121.346 120.570 -0.062 0.000 2.179 585 I HA -0.208 3.962 4.170 -0.000 0.000 0.242 585 I C 2.490 178.531 176.117 -0.127 0.000 1.088 585 I CA 0.985 62.229 61.300 -0.093 0.000 1.357 585 I CB -1.095 36.843 38.000 -0.102 0.000 1.051 585 I HN 0.009 nan 8.210 nan 0.000 0.409 586 V N 1.378 121.139 119.914 -0.255 0.000 2.332 586 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 586 V C 2.804 178.820 176.094 -0.130 0.000 1.055 586 V CA 1.860 64.008 62.300 -0.253 0.000 1.038 586 V CB -1.049 30.580 31.823 -0.322 0.000 0.651 586 V HN 0.469 nan 8.190 nan 0.000 0.450 587 A N -0.338 122.436 122.820 -0.077 0.000 1.933 587 A HA -0.060 4.260 4.320 -0.000 0.000 0.218 587 A C 2.334 179.925 177.584 0.012 0.000 1.175 587 A CA 1.977 54.003 52.037 -0.017 0.000 0.628 587 A CB -0.587 18.409 19.000 -0.005 0.000 0.814 587 A HN 0.577 nan 8.150 nan 0.000 0.444 588 A N -0.602 122.194 122.820 -0.039 0.000 2.016 588 A HA 0.385 4.705 4.320 -0.000 0.000 0.217 588 A C 2.348 179.720 177.584 -0.352 0.000 1.162 588 A CA 1.408 53.422 52.037 -0.038 0.000 0.662 588 A CB -0.654 18.410 19.000 0.108 0.000 0.812 588 A HN 0.912 nan 8.150 nan 0.000 0.450 589 A N -1.370 121.078 122.820 -0.620 0.000 2.014 589 A HA -0.016 4.303 4.320 -0.000 0.000 0.218 589 A C 2.023 179.316 177.584 -0.484 0.000 1.163 589 A CA 1.401 52.807 52.037 -1.051 0.000 0.652 589 A CB -0.686 17.849 19.000 -0.776 0.000 0.808 589 A HN 0.723 nan 8.150 nan 0.000 0.449 590 Y N 0.012 120.113 120.300 -0.332 0.000 2.163 590 Y HA -0.192 4.358 4.550 -0.000 0.000 0.288 590 Y C 2.232 178.030 175.900 -0.170 0.000 1.136 590 Y CA 1.995 59.975 58.100 -0.201 0.000 1.147 590 Y CB -0.219 38.166 38.460 -0.125 0.000 0.987 590 Y HN 0.191 nan 8.280 nan 0.000 0.509 591 M N 0.281 119.786 119.600 -0.159 0.000 2.149 591 M HA -0.164 4.316 4.480 -0.000 0.000 0.261 591 M C 2.131 178.292 176.300 -0.231 0.000 1.064 591 M CA 1.666 56.857 55.300 -0.182 0.000 1.102 591 M CB -1.538 31.046 32.600 -0.027 0.000 1.369 591 M HN 0.507 nan 8.290 nan 0.000 0.408 592 A N -0.531 122.131 122.820 -0.265 0.000 2.259 592 A HA 0.089 4.409 4.320 -0.000 0.000 0.208 592 A C 0.727 178.176 177.584 -0.224 0.000 1.201 592 A CA -0.105 51.811 52.037 -0.202 0.000 0.824 592 A CB -0.438 18.445 19.000 -0.195 0.000 0.838 592 A HN 0.559 nan 8.150 nan 0.000 0.485 593 R N -1.174 119.143 120.500 -0.306 0.000 3.267 593 R HA -0.146 4.194 4.340 -0.000 0.000 0.254 593 R C -1.064 175.119 176.300 -0.195 0.000 0.993 593 R CA 0.714 56.651 56.100 -0.272 0.000 0.670 593 R CB -1.980 28.196 30.300 -0.207 0.000 1.125 593 R HN 0.566 nan 8.270 nan 0.000 0.434 594 I N 0.331 120.770 120.570 -0.218 0.000 2.354 594 I HA 0.108 4.278 4.170 -0.000 0.000 0.292 594 I C 0.901 176.951 176.117 -0.112 0.000 0.989 594 I CA -0.457 60.746 61.300 -0.161 0.000 1.188 594 I CB 1.896 39.764 38.000 -0.219 0.000 1.342 594 I HN 0.091 nan 8.210 nan 0.000 0.457 595 S N 6.400 122.057 115.700 -0.072 0.000 2.537 595 S HA 0.215 4.684 4.470 -0.000 0.000 0.286 595 S C 0.385 174.958 174.600 -0.045 0.000 1.299 595 S CA -0.126 58.047 58.200 -0.045 0.000 1.067 595 S CB 0.126 63.306 63.200 -0.034 0.000 0.864 595 S HN 0.483 nan 8.310 nan 0.000 0.494 596 L N 4.421 125.622 121.223 -0.036 0.000 3.108 596 L HA 0.367 4.707 4.340 -0.000 0.000 0.251 596 L C 0.317 177.144 176.870 -0.073 0.000 1.315 596 L CA -0.285 54.524 54.840 -0.052 0.000 1.048 596 L CB 0.329 42.357 42.059 -0.051 0.000 1.432 596 L HN 0.487 nan 8.230 nan 0.000 0.543 597 S N 0.732 116.399 115.700 -0.055 0.000 2.571 597 S HA 0.872 5.342 4.470 -0.000 0.000 0.284 597 S C -0.934 173.646 174.600 -0.032 0.000 1.128 597 S CA -0.308 57.858 58.200 -0.057 0.000 0.970 597 S CB 1.762 64.931 63.200 -0.051 0.000 1.039 597 S HN 0.269 nan 8.310 nan 0.000 0.485 598 A N 2.830 125.635 122.820 -0.024 0.000 2.520 598 A HA 0.780 5.100 4.320 -0.000 0.000 0.298 598 A C -0.069 177.521 177.584 0.010 0.000 1.051 598 A CA -0.666 51.368 52.037 -0.005 0.000 0.690 598 A CB 1.275 20.273 19.000 -0.003 0.000 1.281 598 A HN 0.960 nan 8.150 nan 0.000 0.402 599 T N -0.445 114.123 114.554 0.024 0.000 2.874 599 T HA 0.770 5.120 4.350 -0.000 0.000 0.281 599 T C 0.369 175.114 174.700 0.075 0.000 0.994 599 T CA -0.032 62.098 62.100 0.049 0.000 1.015 599 T CB 1.674 70.570 68.868 0.046 0.000 1.028 599 T HN 1.734 nan 8.240 nan 0.000 0.523 600 G N -0.080 108.789 108.800 0.116 0.000 2.612 600 G HA2 0.642 4.602 3.960 -0.000 0.000 0.298 600 G HA3 0.642 4.602 3.960 -0.000 0.000 0.298 600 G C -2.107 172.950 174.900 0.262 0.000 1.336 600 G CA -0.848 44.341 45.100 0.149 0.000 0.953 600 G HN 0.752 nan 8.290 nan 0.000 0.482 601 F N 1.174 121.173 119.950 0.081 0.000 2.628 601 F HA 0.695 5.222 4.527 -0.000 0.000 0.309 601 F C -2.113 173.788 175.800 0.167 0.000 1.108 601 F CA -1.185 56.877 58.000 0.103 0.000 0.971 601 F CB 2.174 41.212 39.000 0.063 0.000 1.279 601 F HN 0.602 nan 8.300 nan 0.000 0.441 602 Y N 4.245 124.082 120.300 -0.772 0.000 2.433 602 Y HA 0.790 5.340 4.550 -0.000 0.000 0.337 602 Y C -1.755 173.726 175.900 -0.698 0.000 1.026 602 Y CA -0.804 56.977 58.100 -0.532 0.000 1.037 602 Y CB 1.797 40.111 38.460 -0.244 0.000 1.245 602 Y HN 0.884 nan 8.280 nan 0.000 0.443 603 A N 3.775 125.922 122.820 -1.121 0.000 2.330 603 A HA 0.575 4.895 4.320 -0.000 0.000 0.313 603 A C -0.693 176.276 177.584 -1.025 0.000 1.124 603 A CA -0.762 50.776 52.037 -0.832 0.000 0.774 603 A CB 0.578 19.370 19.000 -0.347 0.000 1.198 603 A HN 0.727 nan 8.150 nan 0.000 0.465 604 T N 5.708 119.860 114.554 -0.670 0.000 2.793 604 T HA 0.333 4.683 4.350 -0.000 0.000 0.289 604 T C -1.865 172.727 174.700 -0.180 0.000 0.956 604 T CA -0.141 61.760 62.100 -0.331 0.000 1.177 604 T CB -0.101 68.761 68.868 -0.010 0.000 0.897 604 T HN 0.606 nan 8.240 nan 0.000 0.533 605 P HA 0.286 nan 4.420 nan 0.000 0.277 605 P C 0.189 177.484 177.300 -0.009 0.000 1.271 605 P CA -0.563 62.507 63.100 -0.050 0.000 0.795 605 P CB 0.635 32.327 31.700 -0.014 0.000 1.101 606 K N -2.511 117.888 120.400 -0.002 0.000 3.547 606 K HA -0.149 4.171 4.320 -0.000 0.000 0.309 606 K C -0.084 176.515 176.600 -0.001 0.000 1.324 606 K CA 0.703 56.993 56.287 0.006 0.000 0.988 606 K CB -1.819 30.692 32.500 0.017 0.000 1.261 606 K HN 0.394 nan 8.250 nan 0.000 0.444 607 L N 1.312 122.532 121.223 -0.006 0.000 2.276 607 L HA 0.395 4.735 4.340 -0.000 0.000 0.286 607 L C 0.210 177.097 176.870 0.028 0.000 1.061 607 L CA -0.361 54.473 54.840 -0.010 0.000 0.807 607 L CB 1.655 43.702 42.059 -0.020 0.000 1.177 607 L HN 0.077 nan 8.230 nan 0.000 0.429 608 S N 4.627 120.361 115.700 0.056 0.000 2.590 608 S HA 0.563 5.032 4.470 -0.000 0.000 0.286 608 S C -1.935 172.776 174.600 0.185 0.000 1.147 608 S CA -0.730 57.530 58.200 0.100 0.000 0.963 608 S CB 0.856 64.086 63.200 0.050 0.000 1.124 608 S HN 0.652 nan 8.310 nan 0.000 0.458 609 W N 3.698 124.935 121.300 -0.105 0.000 3.296 609 W HA 0.564 5.223 4.660 -0.000 0.000 0.314 609 W C -2.080 174.374 176.519 -0.109 0.000 1.238 609 W CA -0.873 56.395 57.345 -0.128 0.000 1.193 609 W CB 0.471 29.811 29.460 -0.199 0.000 1.383 609 W HN 0.612 nan 8.180 nan 0.000 0.545 610 D N 3.459 123.664 120.400 -0.325 0.000 2.347 610 D HA 0.188 4.828 4.640 -0.000 0.000 0.235 610 D C 1.401 177.196 176.300 -0.842 0.000 1.149 610 D CA -0.064 53.634 54.000 -0.504 0.000 0.850 610 D CB 1.272 41.924 40.800 -0.247 0.000 1.061 610 D HN 0.466 nan 8.370 nan 0.000 0.487 611 R N 3.484 123.281 120.500 -1.172 0.000 2.081 611 R HA -0.099 4.241 4.340 -0.000 0.000 0.235 611 R C 1.609 177.763 176.300 -0.244 0.000 1.131 611 R CA 1.007 56.443 56.100 -1.107 0.000 0.960 611 R CB -0.099 29.777 30.300 -0.705 0.000 0.856 611 R HN 0.533 nan 8.270 nan 0.000 0.436 612 L N 0.009 121.137 121.223 -0.158 0.000 2.056 612 L HA -0.114 4.226 4.340 -0.000 0.000 0.207 612 L C 2.640 179.581 176.870 0.118 0.000 1.078 612 L CA 1.460 56.330 54.840 0.049 0.000 0.749 612 L CB -0.213 41.840 42.059 -0.010 0.000 0.901 612 L HN 0.129 nan 8.230 nan 0.000 0.433 613 R N -0.362 120.103 120.500 -0.059 0.000 2.276 613 R HA 0.107 4.447 4.340 -0.000 0.000 0.196 613 R C 0.889 176.975 176.300 -0.358 0.000 0.961 613 R CA 0.565 56.614 56.100 -0.085 0.000 1.024 613 R CB 0.123 30.375 30.300 -0.081 0.000 0.940 613 R HN 0.410 nan 8.270 nan 0.000 0.480 614 G N 1.911 110.326 108.800 -0.643 0.000 2.314 614 G HA2 -0.233 3.726 3.960 -0.000 0.000 0.292 614 G HA3 -0.233 3.726 3.960 -0.000 0.000 0.292 614 G C -0.413 174.203 174.900 -0.475 0.000 1.059 614 G CA 0.108 44.468 45.100 -1.233 0.000 0.982 614 G HN 0.164 nan 8.290 nan 0.000 0.505 615 Q N -0.868 118.828 119.800 -0.174 0.000 2.372 615 Q HA 0.764 5.103 4.340 -0.000 0.000 0.273 615 Q C 0.494 176.556 176.000 0.103 0.000 1.078 615 Q CA 0.374 56.164 55.803 -0.023 0.000 0.806 615 Q CB 2.152 30.861 28.738 -0.048 0.000 1.332 615 Q HN 1.739 nan 8.270 nan 0.000 0.435 616 G N 1.344 110.220 108.800 0.126 0.000 2.298 616 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.309 616 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.309 616 G C -1.394 173.580 174.900 0.124 0.000 1.279 616 G CA -0.960 44.224 45.100 0.140 0.000 1.042 616 G HN 0.389 nan 8.290 nan 0.000 0.480 617 R N 1.482 122.023 120.500 0.069 0.000 2.335 617 R HA 0.434 4.773 4.340 -0.000 0.000 0.302 617 R C -1.758 174.411 176.300 -0.218 0.000 1.147 617 R CA -1.703 54.372 56.100 -0.041 0.000 1.111 617 R CB 1.533 31.823 30.300 -0.016 0.000 1.122 617 R HN 0.310 nan 8.270 nan 0.000 0.557 618 P HA -0.010 nan 4.420 nan 0.000 0.224 618 P C -0.239 176.513 177.300 -0.913 0.000 1.157 618 P CA 0.714 63.141 63.100 -1.122 0.000 0.799 618 P CB 0.298 30.616 31.700 -2.303 0.000 0.809 619 F N -0.822 118.869 119.950 -0.431 0.000 2.458 619 F HA 0.279 4.806 4.527 -0.000 0.000 0.330 619 F C 1.690 177.262 175.800 -0.379 0.000 1.082 619 F CA -1.233 56.478 58.000 -0.482 0.000 0.995 619 F CB 1.377 39.937 39.000 -0.734 0.000 1.170 619 F HN -0.316 nan 8.300 nan 0.000 0.478 620 L N 3.012 124.170 121.223 -0.108 0.000 2.131 620 L HA 0.063 4.402 4.340 -0.000 0.000 0.206 620 L C -0.431 176.469 176.870 0.049 0.000 1.087 620 L CA 1.454 56.298 54.840 0.007 0.000 0.767 620 L CB -0.380 41.774 42.059 0.159 0.000 0.917 620 L HN 0.656 nan 8.230 nan 0.000 0.441 621 Y N -4.935 115.207 120.300 -0.263 0.000 2.750 621 Y HA 0.545 5.094 4.550 -0.000 0.000 0.335 621 Y C -1.411 174.140 175.900 -0.583 0.000 1.252 621 Y CA -2.416 55.488 58.100 -0.326 0.000 1.064 621 Y CB 0.116 38.516 38.460 -0.100 0.000 1.321 621 Y HN -0.198 nan 8.280 nan 0.000 0.451 622 F N 1.374 121.308 119.950 -0.027 0.000 2.480 622 F HA 0.846 5.372 4.527 -0.000 0.000 0.329 622 F C 0.271 175.900 175.800 -0.285 0.000 1.091 622 F CA -0.865 56.926 58.000 -0.348 0.000 0.972 622 F CB 2.142 40.819 39.000 -0.538 0.000 1.150 622 F HN 0.789 nan 8.300 nan 0.000 0.467 623 A N 2.812 125.538 122.820 -0.157 0.000 2.305 623 A HA 0.732 5.051 4.320 -0.000 0.000 0.322 623 A C -1.661 175.696 177.584 -0.378 0.000 1.187 623 A CA -0.403 51.575 52.037 -0.098 0.000 0.825 623 A CB 0.273 19.320 19.000 0.078 0.000 1.164 623 A HN 0.718 nan 8.150 nan 0.000 0.498 624 Y N 0.433 120.664 120.300 -0.115 0.000 2.549 624 Y HA 0.703 5.253 4.550 -0.000 0.000 0.339 624 Y C 0.870 176.556 175.900 -0.356 0.000 1.053 624 Y CA 0.039 58.012 58.100 -0.211 0.000 1.105 624 Y CB 2.699 40.982 38.460 -0.296 0.000 1.258 624 Y HN 0.982 nan 8.280 nan 0.000 0.478 625 G N -0.191 108.589 108.800 -0.032 0.000 2.576 625 G HA2 0.717 4.676 3.960 -0.000 0.000 0.290 625 G HA3 0.717 4.676 3.960 -0.000 0.000 0.290 625 G C -2.178 172.744 174.900 0.037 0.000 1.442 625 G CA -0.490 44.630 45.100 0.034 0.000 0.792 625 G HN 0.839 nan 8.290 nan 0.000 0.491 626 A N -1.060 121.792 122.820 0.055 0.000 2.547 626 A HA 1.024 5.343 4.320 -0.000 0.000 0.297 626 A C -0.572 177.034 177.584 0.037 0.000 1.056 626 A CA 0.101 52.154 52.037 0.028 0.000 0.688 626 A CB 1.573 20.547 19.000 -0.043 0.000 1.282 626 A HN 2.451 nan 8.150 nan 0.000 0.400 627 A N 1.503 124.342 122.820 0.032 0.000 2.422 627 A HA 0.782 5.102 4.320 -0.000 0.000 0.302 627 A C -1.101 176.475 177.584 -0.013 0.000 1.041 627 A CA -0.310 51.726 52.037 -0.001 0.000 0.708 627 A CB 0.818 19.838 19.000 0.033 0.000 1.257 627 A HN 0.811 nan 8.150 nan 0.000 0.414 628 I N 2.060 122.603 120.570 -0.046 0.000 2.389 628 I HA 0.417 4.587 4.170 -0.000 0.000 0.288 628 I C -0.300 175.819 176.117 0.004 0.000 0.999 628 I CA -0.125 61.167 61.300 -0.014 0.000 1.129 628 I CB 2.257 40.240 38.000 -0.029 0.000 1.288 628 I HN 0.586 nan 8.210 nan 0.000 0.444 629 T N 5.170 119.754 114.554 0.050 0.000 2.841 629 T HA 0.343 4.692 4.350 -0.000 0.000 0.283 629 T C -0.638 174.079 174.700 0.028 0.000 1.000 629 T CA -0.628 61.491 62.100 0.033 0.000 0.977 629 T CB 2.028 70.953 68.868 0.095 0.000 0.979 629 T HN 0.515 nan 8.240 nan 0.000 0.446 630 E N 2.019 122.209 120.200 -0.017 0.000 2.195 630 E HA 0.668 5.017 4.350 -0.000 0.000 0.271 630 E C -1.066 175.488 176.600 -0.076 0.000 0.923 630 E CA -0.823 55.547 56.400 -0.050 0.000 0.790 630 E CB 1.379 31.033 29.700 -0.076 0.000 1.155 630 E HN 0.520 nan 8.360 nan 0.000 0.402 631 V N 0.384 120.241 119.914 -0.095 0.000 3.114 631 V HA 0.711 4.831 4.120 -0.000 0.000 0.308 631 V C -0.606 175.413 176.094 -0.126 0.000 1.168 631 V CA -0.968 61.272 62.300 -0.100 0.000 1.015 631 V CB 1.411 33.187 31.823 -0.079 0.000 1.050 631 V HN 0.432 nan 8.190 nan 0.000 0.433 632 V N 1.123 120.972 119.914 -0.109 0.000 2.555 632 V HA 0.836 4.955 4.120 -0.000 0.000 0.302 632 V C -0.237 175.831 176.094 -0.043 0.000 1.038 632 V CA -0.630 61.619 62.300 -0.086 0.000 0.887 632 V CB 1.220 32.994 31.823 -0.082 0.000 0.991 632 V HN 1.228 nan 8.190 nan 0.000 0.434 633 I N -0.457 120.105 120.570 -0.013 0.000 2.498 633 I HA 0.713 4.883 4.170 -0.000 0.000 0.290 633 I C -0.832 175.292 176.117 0.013 0.000 1.032 633 I CA -0.585 60.706 61.300 -0.015 0.000 1.073 633 I CB 1.926 39.901 38.000 -0.042 0.000 1.251 633 I HN 0.624 nan 8.210 nan 0.000 0.426 634 D N 4.592 124.994 120.400 0.003 0.000 2.325 634 D HA 0.220 4.860 4.640 -0.000 0.000 0.251 634 D C 0.857 177.153 176.300 -0.007 0.000 1.196 634 D CA -0.226 53.778 54.000 0.007 0.000 0.866 634 D CB 1.106 41.907 40.800 0.002 0.000 1.101 634 D HN 0.495 nan 8.370 nan 0.000 0.476 635 R N 2.985 123.481 120.500 -0.006 0.000 2.280 635 R HA 0.026 4.366 4.340 -0.000 0.000 0.207 635 R C 1.283 177.571 176.300 -0.020 0.000 1.043 635 R CA 0.511 56.600 56.100 -0.018 0.000 1.006 635 R CB 0.095 30.384 30.300 -0.018 0.000 0.885 635 R HN 0.582 nan 8.270 nan 0.000 0.467 636 L N -0.797 120.416 121.223 -0.016 0.000 2.253 636 L HA -0.010 4.330 4.340 -0.000 0.000 0.205 636 L C 2.112 178.972 176.870 -0.017 0.000 1.078 636 L CA 1.270 56.100 54.840 -0.017 0.000 0.805 636 L CB 0.070 42.120 42.059 -0.015 0.000 0.963 636 L HN 0.208 nan 8.230 nan 0.000 0.459 637 T N -5.824 108.720 114.554 -0.017 0.000 2.954 637 T HA 0.307 4.656 4.350 -0.000 0.000 0.252 637 T C 1.366 176.052 174.700 -0.022 0.000 0.983 637 T CA 0.540 62.630 62.100 -0.018 0.000 0.941 637 T CB 1.127 69.986 68.868 -0.015 0.000 1.141 637 T HN 0.297 nan 8.240 nan 0.000 0.500 638 G N 1.472 110.257 108.800 -0.024 0.000 2.175 638 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.244 638 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.244 638 G C -0.233 174.648 174.900 -0.032 0.000 0.982 638 G CA -0.048 45.033 45.100 -0.032 0.000 0.641 638 G HN 0.666 nan 8.290 nan 0.000 0.527 639 E N 0.606 120.791 120.200 -0.026 0.000 2.413 639 E HA 0.418 4.768 4.350 -0.000 0.000 0.263 639 E C 0.512 177.096 176.600 -0.027 0.000 1.015 639 E CA 0.879 57.264 56.400 -0.026 0.000 0.916 639 E CB 0.281 29.970 29.700 -0.018 0.000 0.947 639 E HN 0.814 nan 8.360 nan 0.000 0.440 640 N N 0.616 119.295 118.700 -0.034 0.000 2.859 640 N HA 0.443 5.182 4.740 -0.000 0.000 0.250 640 N C -1.629 173.854 175.510 -0.044 0.000 1.341 640 N CA -1.159 51.867 53.050 -0.040 0.000 0.881 640 N CB 1.347 39.803 38.487 -0.052 0.000 1.516 640 N HN 0.422 nan 8.380 nan 0.000 0.503 641 R N 0.333 120.803 120.500 -0.049 0.000 2.643 641 R HA 0.481 4.821 4.340 -0.000 0.000 0.269 641 R C -1.505 174.757 176.300 -0.064 0.000 1.037 641 R CA -0.953 55.116 56.100 -0.053 0.000 0.894 641 R CB 1.098 31.373 30.300 -0.041 0.000 1.238 641 R HN 0.530 nan 8.270 nan 0.000 0.459 642 I N 3.857 124.388 120.570 -0.066 0.000 2.421 642 I HA -0.009 4.161 4.170 -0.000 0.000 0.291 642 I C 1.296 177.365 176.117 -0.080 0.000 1.089 642 I CA -0.182 61.077 61.300 -0.070 0.000 1.354 642 I CB 0.668 38.631 38.000 -0.061 0.000 1.413 642 I HN 0.578 nan 8.210 nan 0.000 0.513 643 L N 5.744 126.913 121.223 -0.089 0.000 2.068 643 L HA 0.101 4.441 4.340 -0.000 0.000 0.204 643 L C 1.179 177.994 176.870 -0.092 0.000 1.076 643 L CA 0.938 55.722 54.840 -0.092 0.000 0.753 643 L CB -0.160 41.827 42.059 -0.120 0.000 0.910 643 L HN 0.578 nan 8.230 nan 0.000 0.439 644 R N -0.911 119.529 120.500 -0.099 0.000 2.566 644 R HA 0.402 4.742 4.340 -0.000 0.000 0.271 644 R C -1.657 174.565 176.300 -0.130 0.000 1.071 644 R CA -0.346 55.692 56.100 -0.103 0.000 0.915 644 R CB 2.030 32.289 30.300 -0.068 0.000 1.228 644 R HN -0.216 nan 8.270 nan 0.000 0.449 645 T N 2.755 117.187 114.554 -0.203 0.000 2.879 645 T HA 0.332 4.682 4.350 -0.000 0.000 0.290 645 T C -1.600 172.992 174.700 -0.180 0.000 0.993 645 T CA -0.642 61.287 62.100 -0.285 0.000 0.975 645 T CB 1.561 70.027 68.868 -0.669 0.000 0.981 645 T HN 0.509 nan 8.240 nan 0.000 0.439 646 D N 2.103 122.429 120.400 -0.122 0.000 2.375 646 D HA 0.623 5.263 4.640 -0.000 0.000 0.247 646 D C -0.522 175.738 176.300 -0.066 0.000 1.061 646 D CA -0.288 53.681 54.000 -0.051 0.000 0.834 646 D CB 1.418 42.215 40.800 -0.006 0.000 1.247 646 D HN 0.369 nan 8.370 nan 0.000 0.489 647 I N 1.967 122.526 120.570 -0.020 0.000 2.498 647 I HA 0.357 4.527 4.170 -0.000 0.000 0.290 647 I C -1.229 174.928 176.117 0.067 0.000 1.032 647 I CA -1.058 60.247 61.300 0.008 0.000 1.073 647 I CB 1.973 39.977 38.000 0.007 0.000 1.251 647 I HN 0.104 nan 8.210 nan 0.000 0.426 648 L N 6.831 128.108 121.223 0.089 0.000 2.401 648 L HA 0.458 4.798 4.340 -0.000 0.000 0.263 648 L C -1.085 175.887 176.870 0.169 0.000 1.004 648 L CA -0.132 54.790 54.840 0.137 0.000 0.881 648 L CB 0.521 42.660 42.059 0.132 0.000 1.219 648 L HN 0.526 nan 8.230 nan 0.000 0.441 649 H N 1.613 120.749 119.070 0.110 0.000 2.457 649 H HA 0.441 4.997 4.556 -0.000 0.000 0.335 649 H C -1.069 174.364 175.328 0.176 0.000 1.115 649 H CA -0.494 55.618 56.048 0.108 0.000 1.219 649 H CB 1.446 31.259 29.762 0.085 0.000 1.471 649 H HN 0.678 nan 8.280 nan 0.000 0.491 650 D N 3.167 123.385 120.400 -0.304 0.000 2.380 650 D HA 0.299 4.939 4.640 -0.000 0.000 0.230 650 D C -0.219 176.070 176.300 -0.019 0.000 1.154 650 D CA -0.181 53.816 54.000 -0.004 0.000 0.859 650 D CB 0.673 41.467 40.800 -0.010 0.000 1.045 650 D HN 0.603 nan 8.370 nan 0.000 0.495 651 A N 3.642 126.553 122.820 0.152 0.000 2.545 651 A HA 0.634 4.953 4.320 -0.000 0.000 0.277 651 A C 1.311 178.966 177.584 0.117 0.000 1.301 651 A CA 0.210 52.345 52.037 0.164 0.000 0.935 651 A CB -0.643 18.468 19.000 0.184 0.000 1.093 651 A HN 0.960 nan 8.150 nan 0.000 0.519 652 G N 0.058 108.932 108.800 0.125 0.000 2.566 652 G HA2 0.092 4.051 3.960 -0.000 0.000 0.280 652 G HA3 0.092 4.051 3.960 -0.000 0.000 0.280 652 G C 0.607 175.537 174.900 0.050 0.000 1.225 652 G CA 0.027 45.175 45.100 0.079 0.000 0.966 652 G HN 1.807 nan 8.290 nan 0.000 0.560 653 A N -0.023 122.810 122.820 0.021 0.000 2.915 653 A HA 0.652 4.972 4.320 -0.000 0.000 0.292 653 A C 0.967 178.562 177.584 0.018 0.000 1.632 653 A CA 1.447 53.492 52.037 0.014 0.000 1.337 653 A CB -0.461 18.550 19.000 0.019 0.000 1.111 653 A HN 2.231 nan 8.150 nan 0.000 0.569 654 S N 1.721 117.431 115.700 0.017 0.000 2.599 654 S HA 0.032 4.502 4.470 -0.000 0.000 0.303 654 S C 1.387 175.978 174.600 -0.014 0.000 1.267 654 S CA -0.139 58.070 58.200 0.015 0.000 1.055 654 S CB -0.090 63.121 63.200 0.018 0.000 0.790 654 S HN 0.563 nan 8.310 nan 0.000 0.500 655 L N 3.479 124.692 121.223 -0.016 0.000 2.072 655 L HA 0.084 4.423 4.340 -0.000 0.000 0.205 655 L C 1.242 178.069 176.870 -0.072 0.000 1.079 655 L CA 0.705 55.509 54.840 -0.060 0.000 0.752 655 L CB -0.179 41.853 42.059 -0.044 0.000 0.906 655 L HN 0.621 nan 8.230 nan 0.000 0.436 656 N N -1.194 117.483 118.700 -0.038 0.000 2.594 656 N HA 0.166 4.905 4.740 -0.000 0.000 0.280 656 N C -2.272 173.232 175.510 -0.010 0.000 1.156 656 N CA -1.310 51.720 53.050 -0.033 0.000 0.831 656 N CB 1.852 40.321 38.487 -0.031 0.000 1.379 656 N HN -0.263 nan 8.380 nan 0.000 0.536 657 P HA -0.084 nan 4.420 nan 0.000 0.215 657 P C 1.069 178.371 177.300 0.003 0.000 1.153 657 P CA 1.366 64.466 63.100 0.000 0.000 0.853 657 P CB 0.391 32.086 31.700 -0.009 0.000 0.788 658 A N -0.411 122.408 122.820 -0.002 0.000 1.858 658 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 658 A C 2.256 179.846 177.584 0.010 0.000 1.190 658 A CA 1.598 53.635 52.037 0.001 0.000 0.617 658 A CB -1.691 17.311 19.000 0.003 0.000 0.827 658 A HN 0.100 nan 8.150 nan 0.000 0.443 659 L N -0.591 120.643 121.223 0.019 0.000 2.046 659 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 659 L C 2.175 179.062 176.870 0.028 0.000 1.077 659 L CA 1.585 56.445 54.840 0.034 0.000 0.747 659 L CB -0.888 41.194 42.059 0.038 0.000 0.896 659 L HN 0.300 nan 8.230 nan 0.000 0.432 660 D N 0.261 120.676 120.400 0.025 0.000 2.104 660 D HA -0.177 4.462 4.640 -0.000 0.000 0.194 660 D C 2.254 178.567 176.300 0.021 0.000 0.994 660 D CA 1.072 55.092 54.000 0.034 0.000 0.830 660 D CB -0.078 40.754 40.800 0.053 0.000 0.959 660 D HN 0.124 nan 8.370 nan 0.000 0.452 661 I N 0.948 121.523 120.570 0.009 0.000 2.163 661 I HA -0.166 4.003 4.170 -0.000 0.000 0.243 661 I C 2.544 178.632 176.117 -0.048 0.000 1.085 661 I CA 1.465 62.753 61.300 -0.020 0.000 1.347 661 I CB -1.564 36.417 38.000 -0.031 0.000 1.044 661 I HN 0.035 nan 8.210 nan 0.000 0.408 662 G N 0.245 109.027 108.800 -0.030 0.000 2.440 662 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.218 662 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.218 662 G C 1.554 176.453 174.900 -0.002 0.000 1.154 662 G CA 0.331 45.415 45.100 -0.027 0.000 0.767 662 G HN 0.365 nan 8.290 nan 0.000 0.552 663 Q N 0.135 119.943 119.800 0.015 0.000 2.020 663 Q HA -0.057 4.283 4.340 -0.000 0.000 0.202 663 Q C 2.786 178.797 176.000 0.018 0.000 0.982 663 Q CA 1.113 56.934 55.803 0.030 0.000 0.838 663 Q CB -0.319 28.431 28.738 0.020 0.000 0.899 663 Q HN 0.590 nan 8.270 nan 0.000 0.423 664 I N 0.857 121.411 120.570 -0.026 0.000 2.226 664 I HA -0.265 3.905 4.170 -0.000 0.000 0.245 664 I C 2.284 178.429 176.117 0.047 0.000 1.100 664 I CA 1.090 62.362 61.300 -0.047 0.000 1.374 664 I CB -0.307 37.641 38.000 -0.086 0.000 1.057 664 I HN 0.221 nan 8.210 nan 0.000 0.413 665 E N 0.786 120.969 120.200 -0.028 0.000 2.048 665 E HA -0.240 4.110 4.350 -0.000 0.000 0.202 665 E C 2.303 178.999 176.600 0.161 0.000 1.021 665 E CA 1.563 57.905 56.400 -0.097 0.000 0.825 665 E CB -0.436 29.058 29.700 -0.344 0.000 0.756 665 E HN 0.627 nan 8.360 nan 0.000 0.454 666 G N 0.379 109.245 108.800 0.110 0.000 2.430 666 G HA2 -0.120 3.839 3.960 -0.000 0.000 0.216 666 G HA3 -0.120 3.839 3.960 -0.000 0.000 0.216 666 G C 1.624 176.641 174.900 0.195 0.000 1.146 666 G CA 0.664 45.860 45.100 0.160 0.000 0.793 666 G HN 0.338 nan 8.290 nan 0.000 0.537 667 A N 0.076 123.009 122.820 0.189 0.000 1.930 667 A HA -0.008 4.312 4.320 -0.000 0.000 0.217 667 A C 2.134 179.787 177.584 0.115 0.000 1.175 667 A CA 1.610 53.772 52.037 0.207 0.000 0.627 667 A CB -0.621 18.471 19.000 0.153 0.000 0.815 667 A HN 0.459 nan 8.150 nan 0.000 0.443 668 Y N 0.748 121.069 120.300 0.035 0.000 2.089 668 Y HA -0.199 4.351 4.550 -0.000 0.000 0.282 668 Y C 2.347 178.221 175.900 -0.044 0.000 1.139 668 Y CA 2.116 60.210 58.100 -0.010 0.000 1.123 668 Y CB -0.552 37.971 38.460 0.105 0.000 0.980 668 Y HN 0.050 nan 8.280 nan 0.000 0.493 669 V N 0.966 120.901 119.914 0.035 0.000 2.324 669 V HA -0.379 3.741 4.120 -0.000 0.000 0.250 669 V C 2.431 178.433 176.094 -0.152 0.000 1.060 669 V CA 2.437 64.691 62.300 -0.076 0.000 1.042 669 V CB -0.882 31.014 31.823 0.121 0.000 0.650 669 V HN 0.545 nan 8.190 nan 0.000 0.450 670 Q N -0.193 119.570 119.800 -0.062 0.000 2.119 670 Q HA -0.107 4.233 4.340 -0.000 0.000 0.201 670 Q C 2.235 178.128 176.000 -0.178 0.000 0.972 670 Q CA 1.664 57.463 55.803 -0.006 0.000 0.847 670 Q CB -0.358 28.486 28.738 0.177 0.000 0.903 670 Q HN 0.661 nan 8.270 nan 0.000 0.433 671 G N 0.424 108.838 108.800 -0.644 0.000 2.453 671 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.215 671 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.215 671 G C 1.462 176.032 174.900 -0.550 0.000 1.201 671 G CA 0.882 45.227 45.100 -1.260 0.000 0.784 671 G HN 0.484 nan 8.290 nan 0.000 0.545 672 A N 0.905 123.382 122.820 -0.572 0.000 1.917 672 A HA 0.075 4.395 4.320 -0.000 0.000 0.219 672 A C 2.721 180.153 177.584 -0.254 0.000 1.182 672 A CA 2.285 54.057 52.037 -0.441 0.000 0.633 672 A CB -1.198 17.424 19.000 -0.629 0.000 0.819 672 A HN 0.630 nan 8.150 nan 0.000 0.448 673 G N -1.763 106.912 108.800 -0.209 0.000 2.450 673 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.220 673 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.220 673 G C 1.336 176.206 174.900 -0.050 0.000 1.130 673 G CA 1.147 46.173 45.100 -0.123 0.000 0.760 673 G HN 0.746 nan 8.290 nan 0.000 0.557 674 W N 0.992 122.167 121.300 -0.209 0.000 2.402 674 W HA 0.123 4.782 4.660 -0.000 0.000 0.286 674 W C 1.634 178.060 176.519 -0.154 0.000 1.221 674 W CA 0.806 58.057 57.345 -0.157 0.000 1.257 674 W CB -0.153 29.243 29.460 -0.107 0.000 1.120 674 W HN 0.108 nan 8.180 nan 0.000 0.551 675 L N 0.741 121.751 121.223 -0.355 0.000 2.667 675 L HA 0.166 4.506 4.340 -0.000 0.000 0.232 675 L C 1.756 178.520 176.870 -0.176 0.000 1.138 675 L CA 0.857 55.396 54.840 -0.502 0.000 0.921 675 L CB -0.547 41.165 42.059 -0.578 0.000 1.180 675 L HN 0.036 nan 8.230 nan 0.000 0.487 676 T N -5.497 108.971 114.554 -0.144 0.000 3.463 676 T HA -0.013 4.337 4.350 -0.000 0.000 0.203 676 T C 1.553 176.186 174.700 -0.112 0.000 0.955 676 T CA 0.791 62.837 62.100 -0.090 0.000 1.230 676 T CB -0.230 68.582 68.868 -0.093 0.000 1.392 676 T HN 0.086 nan 8.240 nan 0.000 0.361 677 T N -0.398 114.068 114.554 -0.147 0.000 3.015 677 T HA 0.298 4.648 4.350 -0.000 0.000 0.250 677 T C 0.535 175.071 174.700 -0.274 0.000 1.057 677 T CA -0.170 61.824 62.100 -0.177 0.000 1.066 677 T CB -0.366 68.400 68.868 -0.169 0.000 0.959 677 T HN 0.459 nan 8.240 nan 0.000 0.488 678 E N 1.914 121.924 120.200 -0.317 0.000 2.257 678 E HA 0.338 4.688 4.350 -0.000 0.000 0.278 678 E C -0.432 175.998 176.600 -0.282 0.000 1.049 678 E CA 0.031 56.108 56.400 -0.539 0.000 0.876 678 E CB 0.597 30.072 29.700 -0.374 0.000 1.035 678 E HN 0.494 nan 8.360 nan 0.000 0.419 679 E N 4.175 124.206 120.200 -0.281 0.000 2.287 679 E HA 0.205 4.555 4.350 -0.000 0.000 0.274 679 E C -1.384 175.280 176.600 0.106 0.000 0.896 679 E CA -0.517 55.870 56.400 -0.021 0.000 0.788 679 E CB 1.026 30.694 29.700 -0.053 0.000 1.244 679 E HN 0.387 nan 8.360 nan 0.000 0.408 680 L N 3.953 125.260 121.223 0.140 0.000 2.290 680 L HA 0.470 4.810 4.340 -0.000 0.000 0.284 680 L C -0.671 176.110 176.870 -0.149 0.000 1.078 680 L CA -0.726 54.074 54.840 -0.068 0.000 0.815 680 L CB 1.400 43.361 42.059 -0.164 0.000 1.162 680 L HN 0.314 nan 8.230 nan 0.000 0.435 681 V N 2.490 122.231 119.914 -0.289 0.000 2.483 681 V HA 0.396 4.516 4.120 -0.000 0.000 0.297 681 V C -0.604 175.361 176.094 -0.216 0.000 1.027 681 V CA -0.684 61.556 62.300 -0.100 0.000 0.855 681 V CB 1.746 33.563 31.823 -0.009 0.000 0.995 681 V HN 0.613 nan 8.190 nan 0.000 0.424 682 W N 2.969 124.314 121.300 0.075 0.000 2.512 682 W HA 0.421 5.080 4.660 -0.000 0.000 0.335 682 W C 0.121 176.681 176.519 0.068 0.000 1.088 682 W CA -0.443 56.941 57.345 0.065 0.000 1.236 682 W CB 2.021 31.513 29.460 0.053 0.000 1.307 682 W HN 0.737 nan 8.180 nan 0.000 0.567 683 D N 0.104 120.667 120.400 0.271 0.000 2.440 683 D HA -0.088 4.552 4.640 -0.000 0.000 0.269 683 D C 1.553 177.984 176.300 0.217 0.000 1.249 683 D CA 0.159 54.298 54.000 0.233 0.000 1.055 683 D CB -0.129 40.797 40.800 0.209 0.000 1.104 683 D HN 0.519 nan 8.370 nan 0.000 0.561 684 H N -1.288 117.833 119.070 0.084 0.000 2.518 684 H HA -0.024 4.532 4.556 -0.000 0.000 0.289 684 H C 1.024 176.379 175.328 0.045 0.000 1.051 684 H CA 0.634 56.717 56.048 0.058 0.000 1.280 684 H CB -0.859 28.926 29.762 0.039 0.000 1.380 684 H HN 0.285 nan 8.280 nan 0.000 0.566 685 C N 0.216 119.288 119.300 -0.380 0.000 2.906 685 C HA 0.476 4.936 4.460 -0.000 0.000 0.274 685 C C 1.837 176.766 174.990 -0.102 0.000 1.257 685 C CA 0.304 59.147 59.018 -0.291 0.000 1.695 685 C CB -0.233 27.265 27.740 -0.403 0.000 1.958 685 C HN 0.883 nan 8.230 nan 0.000 0.619 686 G N 1.413 110.220 108.800 0.011 0.000 2.132 686 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.234 686 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.234 686 G C -0.047 175.008 174.900 0.258 0.000 0.989 686 G CA -0.451 44.719 45.100 0.118 0.000 0.676 686 G HN 0.588 nan 8.290 nan 0.000 0.522 687 R N -0.264 120.329 120.500 0.156 0.000 2.267 687 R HA 0.415 4.755 4.340 -0.000 0.000 0.319 687 R C 0.385 176.764 176.300 0.131 0.000 1.067 687 R CA -0.758 55.406 56.100 0.106 0.000 0.936 687 R CB 0.930 31.226 30.300 -0.006 0.000 1.006 687 R HN 0.221 nan 8.270 nan 0.000 0.452 688 L N 4.726 125.979 121.223 0.051 0.000 2.530 688 L HA -0.025 4.315 4.340 -0.000 0.000 0.273 688 L C 0.920 177.739 176.870 -0.085 0.000 1.141 688 L CA 0.610 55.305 54.840 -0.242 0.000 0.905 688 L CB 0.531 42.443 42.059 -0.245 0.000 1.202 688 L HN 0.706 nan 8.230 nan 0.000 0.473 689 M N 1.987 121.541 119.600 -0.077 0.000 2.388 689 M HA 0.042 4.522 4.480 -0.000 0.000 0.265 689 M C 0.943 177.295 176.300 0.087 0.000 1.088 689 M CA 0.678 56.016 55.300 0.063 0.000 1.134 689 M CB -1.121 31.500 32.600 0.035 0.000 1.384 689 M HN 0.702 nan 8.290 nan 0.000 0.447 690 T N -0.494 114.038 114.554 -0.036 0.000 3.151 690 T HA 0.255 4.605 4.350 -0.000 0.000 0.332 690 T C 0.460 175.146 174.700 -0.022 0.000 1.245 690 T CA -0.573 61.505 62.100 -0.036 0.000 1.019 690 T CB -0.629 68.235 68.868 -0.007 0.000 1.109 690 T HN 0.473 nan 8.240 nan 0.000 0.621 691 H N 0.806 119.844 119.070 -0.053 0.000 2.767 691 H HA 0.658 5.213 4.556 -0.000 0.000 0.260 691 H C -0.188 175.151 175.328 0.018 0.000 1.172 691 H CA -0.660 55.362 56.048 -0.044 0.000 1.048 691 H CB -0.114 29.621 29.762 -0.046 0.000 1.697 691 H HN 0.667 nan 8.280 nan 0.000 0.606 692 A N 1.401 124.105 122.820 -0.192 0.000 2.569 692 A HA 0.532 4.852 4.320 -0.000 0.000 0.290 692 A C -2.310 175.287 177.584 0.022 0.000 1.136 692 A CA -1.581 50.410 52.037 -0.077 0.000 0.710 692 A CB 1.632 20.513 19.000 -0.198 0.000 1.303 692 A HN -0.029 nan 8.150 nan 0.000 0.413 693 P HA -0.038 nan 4.420 nan 0.000 0.230 693 P C 1.133 178.407 177.300 -0.044 0.000 1.158 693 P CA 1.707 64.814 63.100 0.012 0.000 0.769 693 P CB 0.182 31.975 31.700 0.155 0.000 0.807 694 S N -2.498 113.182 115.700 -0.033 0.000 2.558 694 S HA 0.009 4.479 4.470 -0.000 0.000 0.217 694 S C 1.403 175.965 174.600 -0.062 0.000 0.975 694 S CA 0.995 59.167 58.200 -0.046 0.000 0.912 694 S CB -1.183 61.996 63.200 -0.035 0.000 0.776 694 S HN 0.234 nan 8.310 nan 0.000 0.526 695 T N -3.133 111.381 114.554 -0.066 0.000 2.954 695 T HA 0.273 4.623 4.350 -0.000 0.000 0.252 695 T C -0.104 174.580 174.700 -0.026 0.000 0.983 695 T CA -0.310 61.755 62.100 -0.058 0.000 0.941 695 T CB -0.399 68.422 68.868 -0.078 0.000 1.141 695 T HN 0.346 nan 8.240 nan 0.000 0.500 696 Y N 2.175 122.382 120.300 -0.155 0.000 2.342 696 Y HA 0.633 5.183 4.550 -0.000 0.000 0.338 696 Y C -0.869 174.890 175.900 -0.234 0.000 0.965 696 Y CA -1.240 56.756 58.100 -0.173 0.000 1.159 696 Y CB 0.982 39.345 38.460 -0.163 0.000 1.157 696 Y HN -0.197 nan 8.280 nan 0.000 0.486 697 K N 7.713 127.789 120.400 -0.541 0.000 2.354 697 K HA 0.314 4.634 4.320 -0.000 0.000 0.257 697 K C -0.786 175.540 176.600 -0.457 0.000 1.062 697 K CA -0.342 55.705 56.287 -0.401 0.000 0.971 697 K CB -0.075 32.267 32.500 -0.264 0.000 1.305 697 K HN 0.706 nan 8.250 nan 0.000 0.449 698 I N -0.483 119.856 120.570 -0.385 0.000 2.720 698 I HA 0.448 4.617 4.170 -0.000 0.000 0.287 698 I C -1.895 174.125 176.117 -0.162 0.000 1.090 698 I CA -2.379 58.770 61.300 -0.251 0.000 1.384 698 I CB 0.313 38.198 38.000 -0.192 0.000 1.420 698 I HN 0.309 nan 8.210 nan 0.000 0.575 699 P HA 0.069 nan 4.420 nan 0.000 0.261 699 P C -0.408 176.873 177.300 -0.033 0.000 1.183 699 P CA 0.200 63.256 63.100 -0.074 0.000 0.761 699 P CB 0.364 32.026 31.700 -0.064 0.000 0.785 700 A N 3.227 126.038 122.820 -0.015 0.000 2.259 700 A HA 0.240 4.560 4.320 -0.000 0.000 0.278 700 A C 1.084 178.723 177.584 0.091 0.000 1.107 700 A CA -0.361 51.705 52.037 0.048 0.000 0.828 700 A CB -0.294 18.733 19.000 0.046 0.000 1.111 700 A HN 0.545 nan 8.150 nan 0.000 0.498 701 F N 0.948 120.911 119.950 0.022 0.000 2.091 701 F HA -0.236 4.290 4.527 -0.000 0.000 0.299 701 F C 2.639 178.462 175.800 0.038 0.000 1.103 701 F CA 2.829 60.851 58.000 0.038 0.000 1.228 701 F CB -0.018 39.003 39.000 0.036 0.000 0.984 701 F HN 0.516 nan 8.300 nan 0.000 0.477 702 S N -1.330 114.532 115.700 0.271 0.000 2.607 702 S HA -0.087 4.382 4.470 -0.000 0.000 0.224 702 S C 1.226 175.860 174.600 0.058 0.000 0.969 702 S CA 0.870 59.172 58.200 0.171 0.000 0.927 702 S CB -0.446 62.837 63.200 0.139 0.000 0.772 702 S HN 0.354 nan 8.310 nan 0.000 0.533 703 D N 2.203 122.616 120.400 0.022 0.000 2.355 703 D HA 0.051 4.690 4.640 -0.000 0.000 0.218 703 D C 0.947 177.223 176.300 -0.040 0.000 1.004 703 D CA 0.148 54.136 54.000 -0.020 0.000 0.880 703 D CB -0.102 40.677 40.800 -0.034 0.000 0.911 703 D HN 0.720 nan 8.370 nan 0.000 0.528 704 R N 0.972 121.447 120.500 -0.041 0.000 2.679 704 R HA 0.269 4.609 4.340 -0.000 0.000 0.268 704 R C -2.513 173.750 176.300 -0.063 0.000 1.044 704 R CA -1.091 54.995 56.100 -0.022 0.000 1.105 704 R CB -0.688 29.615 30.300 0.005 0.000 0.989 704 R HN -0.203 nan 8.270 nan 0.000 0.447 705 P HA 0.000 nan 4.420 nan 0.000 0.265 705 P C 0.005 177.252 177.300 -0.088 0.000 1.193 705 P CA -0.215 62.750 63.100 -0.225 0.000 0.765 705 P CB 0.620 31.990 31.700 -0.550 0.000 0.823 706 R N 2.407 122.876 120.500 -0.052 0.000 2.092 706 R HA 0.033 4.372 4.340 -0.000 0.000 0.231 706 R C 0.711 177.023 176.300 0.020 0.000 1.119 706 R CA 1.114 57.213 56.100 -0.001 0.000 0.970 706 R CB -0.491 29.802 30.300 -0.011 0.000 0.864 706 R HN 0.515 nan 8.270 nan 0.000 0.440 707 I N 0.238 120.804 120.570 -0.007 0.000 2.389 707 I HA 0.241 4.411 4.170 -0.000 0.000 0.288 707 I C -0.695 175.444 176.117 0.038 0.000 0.999 707 I CA -0.401 60.915 61.300 0.027 0.000 1.129 707 I CB 1.576 39.579 38.000 0.005 0.000 1.288 707 I HN -0.154 nan 8.210 nan 0.000 0.444 708 F N 6.272 126.199 119.950 -0.038 0.000 2.552 708 F HA 0.418 4.945 4.527 -0.000 0.000 0.369 708 F C -0.378 175.387 175.800 -0.058 0.000 1.112 708 F CA -0.907 57.056 58.000 -0.061 0.000 1.129 708 F CB 0.693 39.666 39.000 -0.046 0.000 1.360 708 F HN 0.452 nan 8.300 nan 0.000 0.473 709 N N 4.846 123.694 118.700 0.246 0.000 2.485 709 N HA 0.288 5.028 4.740 -0.000 0.000 0.243 709 N C -0.957 174.617 175.510 0.105 0.000 0.987 709 N CA -0.187 52.937 53.050 0.123 0.000 0.940 709 N CB 2.167 40.694 38.487 0.066 0.000 1.122 709 N HN 0.148 nan 8.380 nan 0.000 0.509 710 V N 1.188 121.136 119.914 0.056 0.000 2.384 710 V HA 0.762 4.882 4.120 -0.000 0.000 0.287 710 V C -0.055 176.059 176.094 0.034 0.000 1.020 710 V CA -0.856 61.464 62.300 0.033 0.000 0.850 710 V CB 1.213 33.012 31.823 -0.040 0.000 0.987 710 V HN 0.685 nan 8.190 nan 0.000 0.436 711 A N 5.674 128.533 122.820 0.066 0.000 2.356 711 A HA 0.853 5.173 4.320 -0.000 0.000 0.310 711 A C -0.919 176.735 177.584 0.118 0.000 1.075 711 A CA -0.610 51.471 52.037 0.074 0.000 0.746 711 A CB 1.121 20.164 19.000 0.073 0.000 1.221 711 A HN 0.791 nan 8.150 nan 0.000 0.443 712 L N 2.858 124.144 121.223 0.103 0.000 2.319 712 L HA 0.193 4.533 4.340 -0.000 0.000 0.280 712 L C 0.062 177.026 176.870 0.158 0.000 1.099 712 L CA -0.367 54.558 54.840 0.141 0.000 0.828 712 L CB 0.839 42.955 42.059 0.095 0.000 1.150 712 L HN 0.798 nan 8.230 nan 0.000 0.442 713 W N 5.367 126.678 121.300 0.019 0.000 2.485 713 W HA 0.074 4.733 4.660 -0.000 0.000 0.315 713 W C -0.660 175.857 176.519 -0.004 0.000 1.304 713 W CA -0.313 57.029 57.345 -0.005 0.000 1.345 713 W CB 0.922 30.366 29.460 -0.025 0.000 1.368 713 W HN 0.526 nan 8.180 nan 0.000 0.497 714 D N 5.331 125.551 120.400 -0.299 0.000 2.473 714 D HA 0.203 4.843 4.640 -0.000 0.000 0.226 714 D C -0.743 175.366 176.300 -0.318 0.000 1.089 714 D CA 0.167 54.044 54.000 -0.205 0.000 0.883 714 D CB 0.534 41.248 40.800 -0.142 0.000 1.029 714 D HN 0.355 nan 8.370 nan 0.000 0.517 715 Q N 2.875 122.575 119.800 -0.166 0.000 2.315 715 Q HA 0.389 4.729 4.340 -0.000 0.000 0.273 715 Q C -2.499 173.509 176.000 0.013 0.000 1.053 715 Q CA -2.188 53.561 55.803 -0.089 0.000 0.817 715 Q CB 2.556 31.286 28.738 -0.013 0.000 1.326 715 Q HN 0.280 nan 8.270 nan 0.000 0.423 716 P HA -0.043 nan 4.420 nan 0.000 0.268 716 P C -0.620 176.681 177.300 0.002 0.000 1.205 716 P CA -0.170 62.928 63.100 -0.002 0.000 0.771 716 P CB 0.495 32.189 31.700 -0.010 0.000 0.858 717 N N 2.367 121.044 118.700 -0.039 0.000 2.458 717 N HA -0.000 4.740 4.740 -0.000 0.000 0.258 717 N C 1.279 176.745 175.510 -0.074 0.000 1.219 717 N CA 0.269 53.261 53.050 -0.096 0.000 0.902 717 N CB 0.370 38.704 38.487 -0.255 0.000 1.076 717 N HN 0.230 nan 8.380 nan 0.000 0.455 718 R N 1.186 121.660 120.500 -0.044 0.000 2.073 718 R HA -0.040 4.300 4.340 -0.000 0.000 0.234 718 R C 0.024 176.304 176.300 -0.033 0.000 1.134 718 R CA 1.011 57.102 56.100 -0.014 0.000 0.952 718 R CB -0.005 30.312 30.300 0.027 0.000 0.850 718 R HN 0.667 nan 8.270 nan 0.000 0.433 719 E N 1.142 121.305 120.200 -0.063 0.000 2.374 719 E HA 0.012 4.362 4.350 -0.000 0.000 0.260 719 E C -0.400 176.151 176.600 -0.081 0.000 1.101 719 E CA 0.093 56.464 56.400 -0.048 0.000 0.907 719 E CB 0.523 30.216 29.700 -0.013 0.000 1.014 719 E HN 0.199 nan 8.360 nan 0.000 0.427 720 E N 1.480 121.655 120.200 -0.041 0.000 2.148 720 E HA 0.058 4.408 4.350 -0.000 0.000 0.308 720 E C -0.015 176.539 176.600 -0.076 0.000 1.278 720 E CA -0.168 56.197 56.400 -0.058 0.000 1.368 720 E CB -0.237 29.443 29.700 -0.033 0.000 1.229 720 E HN 0.396 nan 8.360 nan 0.000 0.494 721 T N -1.417 113.064 114.554 -0.122 0.000 2.754 721 T HA 0.190 4.539 4.350 -0.000 0.000 0.286 721 T C 0.578 175.180 174.700 -0.162 0.000 0.997 721 T CA -0.938 61.080 62.100 -0.136 0.000 0.982 721 T CB 0.957 69.722 68.868 -0.172 0.000 1.027 721 T HN 0.144 nan 8.240 nan 0.000 0.529 722 I N 1.527 121.998 120.570 -0.166 0.000 2.742 722 I HA 0.136 4.306 4.170 -0.000 0.000 0.287 722 I C 0.069 176.200 176.117 0.022 0.000 1.186 722 I CA -0.598 60.623 61.300 -0.131 0.000 1.417 722 I CB -1.476 36.481 38.000 -0.073 0.000 1.377 722 I HN 0.716 nan 8.210 nan 0.000 0.556 723 F N 6.867 126.758 119.950 -0.098 0.000 3.056 723 F HA -0.326 4.201 4.527 -0.000 0.000 0.266 723 F C 1.120 176.875 175.800 -0.075 0.000 0.957 723 F CA 0.834 58.789 58.000 -0.075 0.000 0.894 723 F CB -1.081 37.880 39.000 -0.065 0.000 0.832 723 F HN 0.639 nan 8.300 nan 0.000 0.745 724 R N -1.949 118.549 120.500 -0.003 0.000 3.741 724 R HA -0.223 4.117 4.340 -0.000 0.000 0.292 724 R C 0.568 176.843 176.300 -0.041 0.000 1.176 724 R CA 1.011 57.085 56.100 -0.044 0.000 0.794 724 R CB -2.559 27.725 30.300 -0.027 0.000 1.213 724 R HN 0.621 nan 8.270 nan 0.000 0.494 725 S N -0.513 115.177 115.700 -0.017 0.000 2.632 725 S HA 0.592 5.062 4.470 -0.000 0.000 0.267 725 S C 0.252 174.820 174.600 -0.053 0.000 1.276 725 S CA -0.681 57.516 58.200 -0.005 0.000 0.998 725 S CB 2.370 65.590 63.200 0.034 0.000 0.953 725 S HN 0.174 nan 8.310 nan 0.000 0.547 726 K N 0.391 120.801 120.400 0.017 0.000 2.259 726 K HA 0.599 4.919 4.320 -0.000 0.000 0.252 726 K C -0.436 176.271 176.600 0.178 0.000 0.936 726 K CA -0.806 55.543 56.287 0.103 0.000 0.810 726 K CB 1.984 34.573 32.500 0.149 0.000 1.143 726 K HN 0.832 nan 8.250 nan 0.000 0.427 727 A N 1.791 124.772 122.820 0.268 0.000 2.524 727 A HA 0.076 4.396 4.320 -0.000 0.000 0.250 727 A C 0.576 178.240 177.584 0.132 0.000 1.078 727 A CA -0.029 52.100 52.037 0.153 0.000 0.761 727 A CB 0.272 19.336 19.000 0.106 0.000 1.012 727 A HN 0.534 nan 8.150 nan 0.000 0.500 728 V N 3.400 123.367 119.914 0.089 0.000 3.346 728 V HA 0.205 4.325 4.120 -0.000 0.000 0.309 728 V C 1.657 177.754 176.094 0.004 0.000 1.457 728 V CA 1.086 63.444 62.300 0.098 0.000 1.069 728 V CB -0.076 31.819 31.823 0.119 0.000 0.944 728 V HN 1.071 nan 8.190 nan 0.000 0.449 729 G N 0.204 108.988 108.800 -0.026 0.000 2.464 729 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.214 729 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.214 729 G C 1.226 176.068 174.900 -0.098 0.000 1.218 729 G CA 1.238 46.307 45.100 -0.052 0.000 0.794 729 G HN 0.558 nan 8.290 nan 0.000 0.542 730 E N 0.474 120.539 120.200 -0.225 0.000 2.127 730 E HA 0.016 4.365 4.350 -0.000 0.000 0.191 730 E C -0.084 176.187 176.600 -0.548 0.000 0.964 730 E CA 0.233 56.389 56.400 -0.407 0.000 0.832 730 E CB -0.044 29.295 29.700 -0.602 0.000 0.790 730 E HN 0.258 nan 8.360 nan 0.000 0.465 731 P HA -0.187 nan 4.420 nan 0.000 0.217 731 P C -1.641 175.600 177.300 -0.098 0.000 1.158 731 P CA 2.143 65.014 63.100 -0.382 0.000 0.887 731 P CB -0.973 30.747 31.700 0.035 0.000 0.792 732 P HA -0.131 nan 4.420 nan 0.000 0.234 732 P C 1.368 178.675 177.300 0.011 0.000 1.167 732 P CA 0.732 63.708 63.100 -0.207 0.000 0.763 732 P CB -0.591 30.850 31.700 -0.432 0.000 0.835 733 F N 1.273 121.156 119.950 -0.112 0.000 2.171 733 F HA -0.143 4.384 4.527 -0.000 0.000 0.300 733 F C 1.720 177.515 175.800 -0.010 0.000 1.090 733 F CA 1.241 59.200 58.000 -0.067 0.000 1.293 733 F CB -0.675 38.245 39.000 -0.135 0.000 1.013 733 F HN -0.275 nan 8.300 nan 0.000 0.486 734 L N 0.276 121.589 121.223 0.149 0.000 2.549 734 L HA -0.130 4.210 4.340 -0.000 0.000 0.229 734 L C 1.900 178.833 176.870 0.104 0.000 1.158 734 L CA 0.923 55.852 54.840 0.148 0.000 0.842 734 L CB -0.853 41.328 42.059 0.203 0.000 0.952 734 L HN 0.224 nan 8.230 nan 0.000 0.452 735 L N -1.068 120.216 121.223 0.102 0.000 2.291 735 L HA -0.044 4.296 4.340 -0.000 0.000 0.214 735 L C 2.466 179.471 176.870 0.226 0.000 1.120 735 L CA 0.837 55.793 54.840 0.194 0.000 0.799 735 L CB -0.958 41.253 42.059 0.254 0.000 0.925 735 L HN 0.384 nan 8.230 nan 0.000 0.446 736 G N 0.352 109.124 108.800 -0.047 0.000 2.470 736 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.220 736 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.220 736 G C 1.568 176.413 174.900 -0.091 0.000 1.121 736 G CA 0.336 45.252 45.100 -0.306 0.000 0.766 736 G HN 0.315 nan 8.290 nan 0.000 0.553 737 I N 1.915 122.501 120.570 0.027 0.000 2.264 737 I HA -0.262 3.907 4.170 -0.000 0.000 0.248 737 I C 3.146 179.359 176.117 0.161 0.000 1.111 737 I CA 1.474 62.837 61.300 0.106 0.000 1.382 737 I CB -0.183 37.903 38.000 0.144 0.000 1.060 737 I HN 0.339 nan 8.210 nan 0.000 0.418 738 S N 1.272 117.069 115.700 0.161 0.000 2.383 738 S HA -0.211 4.259 4.470 -0.000 0.000 0.229 738 S C 2.229 176.910 174.600 0.136 0.000 1.030 738 S CA 0.997 59.293 58.200 0.160 0.000 1.002 738 S CB -0.637 62.666 63.200 0.170 0.000 0.829 738 S HN 0.434 nan 8.310 nan 0.000 0.467 739 A N 1.013 123.907 122.820 0.124 0.000 1.902 739 A HA 0.088 4.408 4.320 -0.000 0.000 0.217 739 A C 1.974 179.591 177.584 0.054 0.000 1.181 739 A CA 1.397 53.469 52.037 0.059 0.000 0.623 739 A CB -1.030 17.942 19.000 -0.046 0.000 0.818 739 A HN 0.589 nan 8.150 nan 0.000 0.443 740 F N -0.042 119.867 119.950 -0.068 0.000 2.146 740 F HA -0.065 4.462 4.527 -0.000 0.000 0.298 740 F C 1.738 177.531 175.800 -0.013 0.000 1.096 740 F CA 1.200 59.158 58.000 -0.070 0.000 1.275 740 F CB -0.136 38.798 39.000 -0.110 0.000 1.008 740 F HN 0.128 nan 8.300 nan 0.000 0.480 741 L N 0.410 121.665 121.223 0.053 0.000 2.056 741 L HA -0.047 4.292 4.340 -0.000 0.000 0.207 741 L C 2.698 179.573 176.870 0.009 0.000 1.078 741 L CA 1.825 56.681 54.840 0.026 0.000 0.749 741 L CB -1.730 40.405 42.059 0.127 0.000 0.901 741 L HN 0.214 nan 8.230 nan 0.000 0.433 742 A N -1.277 121.546 122.820 0.004 0.000 1.930 742 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 742 A C 2.224 179.749 177.584 -0.098 0.000 1.175 742 A CA 1.290 53.315 52.037 -0.021 0.000 0.627 742 A CB -0.666 18.337 19.000 0.005 0.000 0.815 742 A HN 0.306 nan 8.150 nan 0.000 0.443 743 L N -0.673 120.464 121.223 -0.142 0.000 2.093 743 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 743 L C 2.360 179.073 176.870 -0.261 0.000 1.085 743 L CA 2.472 57.194 54.840 -0.197 0.000 0.755 743 L CB -0.863 41.066 42.059 -0.217 0.000 0.904 743 L HN 0.727 nan 8.230 nan 0.000 0.435 744 H N -1.397 117.419 119.070 -0.425 0.000 2.357 744 H HA -0.171 4.385 4.556 -0.000 0.000 0.301 744 H C 1.953 177.119 175.328 -0.271 0.000 1.082 744 H CA 2.019 57.811 56.048 -0.427 0.000 1.342 744 H CB -0.154 29.306 29.762 -0.504 0.000 1.389 744 H HN 0.408 nan 8.280 nan 0.000 0.511 745 D N -0.046 120.097 120.400 -0.429 0.000 2.144 745 D HA -0.121 4.518 4.640 -0.000 0.000 0.199 745 D C 2.223 178.351 176.300 -0.287 0.000 0.984 745 D CA 1.489 55.264 54.000 -0.374 0.000 0.834 745 D CB -0.474 40.245 40.800 -0.136 0.000 0.955 745 D HN 0.532 nan 8.370 nan 0.000 0.465 746 A N -0.517 122.173 122.820 -0.218 0.000 1.930 746 A HA -0.143 4.176 4.320 -0.000 0.000 0.217 746 A C 2.529 180.014 177.584 -0.164 0.000 1.175 746 A CA 1.382 53.329 52.037 -0.149 0.000 0.627 746 A CB -0.902 18.031 19.000 -0.112 0.000 0.815 746 A HN 0.493 nan 8.150 nan 0.000 0.443 747 C N -1.033 118.127 119.300 -0.233 0.000 2.440 747 C HA 0.127 4.586 4.460 -0.000 0.000 0.278 747 C C 3.238 178.089 174.990 -0.232 0.000 1.295 747 C CA 0.543 59.428 59.018 -0.221 0.000 1.738 747 C CB -1.278 26.309 27.740 -0.255 0.000 1.987 747 C HN 0.704 nan 8.230 nan 0.000 0.492 748 A N 0.446 123.063 122.820 -0.338 0.000 2.019 748 A HA 0.119 4.439 4.320 -0.000 0.000 0.219 748 A C 2.141 179.635 177.584 -0.149 0.000 1.164 748 A CA 1.718 53.593 52.037 -0.269 0.000 0.644 748 A CB -0.544 18.239 19.000 -0.363 0.000 0.805 748 A HN 0.595 nan 8.150 nan 0.000 0.449 749 A N -1.902 120.838 122.820 -0.133 0.000 2.252 749 A HA 0.187 4.507 4.320 -0.000 0.000 0.207 749 A C 1.421 178.973 177.584 -0.054 0.000 1.194 749 A CA 0.946 52.937 52.037 -0.076 0.000 0.809 749 A CB -0.885 18.083 19.000 -0.054 0.000 0.814 749 A HN 0.572 nan 8.150 nan 0.000 0.482 750 C N -1.483 117.781 119.300 -0.061 0.000 3.183 750 C HA 0.585 5.045 4.460 -0.000 0.000 0.285 750 C C 1.262 176.242 174.990 -0.016 0.000 1.313 750 C CA 0.038 59.033 59.018 -0.039 0.000 1.711 750 C CB -0.780 26.932 27.740 -0.046 0.000 2.135 750 C HN 0.788 nan 8.230 nan 0.000 0.651 751 G N 0.901 109.692 108.800 -0.014 0.000 2.325 751 G HA2 0.342 4.302 3.960 -0.000 0.000 0.297 751 G HA3 0.342 4.302 3.960 -0.000 0.000 0.297 751 G C -2.606 172.287 174.900 -0.013 0.000 1.448 751 G CA -0.222 44.888 45.100 0.017 0.000 0.838 751 G HN -0.229 nan 8.290 nan 0.000 0.579 752 P HA 0.049 nan 4.420 nan 0.000 0.241 752 P C 0.109 177.292 177.300 -0.195 0.000 1.191 752 P CA 0.543 63.540 63.100 -0.172 0.000 0.771 752 P CB 0.007 31.548 31.700 -0.264 0.000 0.929 753 H N -0.629 118.459 119.070 0.029 0.000 2.511 753 H HA 0.049 4.605 4.556 -0.000 0.000 0.346 753 H C 0.066 175.451 175.328 0.096 0.000 1.128 753 H CA -0.661 55.428 56.048 0.069 0.000 1.342 753 H CB 0.871 30.663 29.762 0.049 0.000 1.470 753 H HN 0.202 nan 8.280 nan 0.000 0.546 754 W N 5.581 126.932 121.300 0.085 0.000 2.469 754 W HA 0.036 4.695 4.660 -0.000 0.000 0.321 754 W C -2.165 174.389 176.519 0.059 0.000 1.415 754 W CA -1.672 55.684 57.345 0.019 0.000 1.308 754 W CB 0.406 29.833 29.460 -0.054 0.000 1.368 754 W HN 0.530 nan 8.180 nan 0.000 0.546 755 P HA -0.201 nan 4.420 nan 0.000 0.217 755 P C 0.054 177.027 177.300 -0.546 0.000 1.150 755 P CA 1.685 64.504 63.100 -0.468 0.000 0.832 755 P CB 0.090 31.531 31.700 -0.431 0.000 0.787 756 D N -2.434 117.318 120.400 -1.080 0.000 2.705 756 D HA -0.153 4.487 4.640 -0.000 0.000 0.240 756 D C -0.618 175.579 176.300 -0.172 0.000 1.137 756 D CA 0.132 53.850 54.000 -0.470 0.000 0.677 756 D CB -1.377 39.427 40.800 0.006 0.000 1.049 756 D HN 0.008 nan 8.370 nan 0.000 0.427 757 L N 1.252 122.328 121.223 -0.245 0.000 2.410 757 L HA 0.221 4.561 4.340 -0.000 0.000 0.273 757 L C 0.370 177.363 176.870 0.206 0.000 1.144 757 L CA 0.451 55.236 54.840 -0.092 0.000 0.863 757 L CB 0.745 42.630 42.059 -0.291 0.000 1.140 757 L HN 0.058 nan 8.230 nan 0.000 0.463 758 Q N 3.826 123.777 119.800 0.252 0.000 2.221 758 Q HA 0.607 4.947 4.340 -0.000 0.000 0.242 758 Q C -0.573 175.647 176.000 0.367 0.000 0.940 758 Q CA -0.361 55.652 55.803 0.351 0.000 0.896 758 Q CB 1.586 30.449 28.738 0.209 0.000 1.226 758 Q HN 0.800 nan 8.270 nan 0.000 0.463 759 A N 3.078 126.002 122.820 0.174 0.000 2.292 759 A HA 0.622 4.942 4.320 -0.000 0.000 0.319 759 A C -2.230 175.275 177.584 -0.131 0.000 1.206 759 A CA -1.489 50.452 52.037 -0.160 0.000 0.835 759 A CB 0.450 19.085 19.000 -0.608 0.000 1.164 759 A HN 0.394 nan 8.150 nan 0.000 0.505 760 P HA 0.295 nan 4.420 nan 0.000 0.278 760 P C -0.203 177.110 177.300 0.022 0.000 1.238 760 P CA -0.150 62.864 63.100 -0.144 0.000 0.794 760 P CB 1.352 32.963 31.700 -0.148 0.000 0.955 761 A N 2.591 125.485 122.820 0.122 0.000 3.063 761 A HA 0.299 4.619 4.320 -0.000 0.000 0.263 761 A C 0.969 178.561 177.584 0.014 0.000 1.736 761 A CA -0.199 51.912 52.037 0.124 0.000 1.408 761 A CB -1.559 17.533 19.000 0.153 0.000 1.108 761 A HN 0.604 nan 8.150 nan 0.000 0.621 762 T N -1.257 113.292 114.554 -0.008 0.000 2.802 762 T HA 0.249 4.599 4.350 -0.000 0.000 0.305 762 T C -1.605 173.077 174.700 -0.031 0.000 1.053 762 T CA -1.079 61.000 62.100 -0.035 0.000 1.058 762 T CB 0.264 69.109 68.868 -0.039 0.000 0.988 762 T HN 0.173 nan 8.240 nan 0.000 0.539 763 P HA -0.142 nan 4.420 nan 0.000 0.217 763 P C 1.495 178.778 177.300 -0.028 0.000 1.151 763 P CA 1.295 64.374 63.100 -0.035 0.000 0.849 763 P CB 0.069 31.748 31.700 -0.034 0.000 0.787 764 E N -0.486 119.701 120.200 -0.022 0.000 2.047 764 E HA -0.178 4.172 4.350 -0.000 0.000 0.191 764 E C 1.967 178.561 176.600 -0.010 0.000 0.987 764 E CA 1.233 57.624 56.400 -0.014 0.000 0.799 764 E CB -0.564 29.131 29.700 -0.008 0.000 0.752 764 E HN 0.060 nan 8.360 nan 0.000 0.449 765 A N 0.489 123.307 122.820 -0.003 0.000 1.933 765 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 765 A C 2.379 179.954 177.584 -0.015 0.000 1.175 765 A CA 1.405 53.447 52.037 0.008 0.000 0.628 765 A CB -0.579 18.442 19.000 0.035 0.000 0.814 765 A HN 0.237 nan 8.150 nan 0.000 0.444 766 V N -0.364 119.531 119.914 -0.032 0.000 2.270 766 V HA -0.214 3.905 4.120 -0.000 0.000 0.245 766 V C 2.470 178.529 176.094 -0.060 0.000 1.043 766 V CA 1.895 64.158 62.300 -0.061 0.000 1.014 766 V CB -0.775 31.009 31.823 -0.064 0.000 0.645 766 V HN 0.595 nan 8.190 nan 0.000 0.447 767 L N 0.986 122.183 121.223 -0.043 0.000 2.042 767 L HA -0.136 4.203 4.340 -0.000 0.000 0.210 767 L C 2.414 179.260 176.870 -0.040 0.000 1.076 767 L CA 2.453 57.270 54.840 -0.039 0.000 0.749 767 L CB -0.928 41.114 42.059 -0.029 0.000 0.893 767 L HN 0.237 nan 8.230 nan 0.000 0.432 768 A N -0.729 122.072 122.820 -0.033 0.000 1.933 768 A HA -0.058 4.262 4.320 -0.000 0.000 0.218 768 A C 2.421 179.977 177.584 -0.046 0.000 1.175 768 A CA 1.667 53.687 52.037 -0.029 0.000 0.628 768 A CB -1.040 17.954 19.000 -0.011 0.000 0.814 768 A HN 0.577 nan 8.150 nan 0.000 0.444 769 A N -0.657 122.124 122.820 -0.065 0.000 1.929 769 A HA 0.095 4.414 4.320 -0.000 0.000 0.216 769 A C 2.197 179.712 177.584 -0.115 0.000 1.176 769 A CA 1.496 53.468 52.037 -0.108 0.000 0.628 769 A CB -0.771 18.143 19.000 -0.142 0.000 0.816 769 A HN 0.326 nan 8.150 nan 0.000 0.444 770 V N 0.516 120.374 119.914 -0.094 0.000 2.261 770 V HA -0.259 3.861 4.120 -0.000 0.000 0.246 770 V C 2.524 178.580 176.094 -0.062 0.000 1.047 770 V CA 2.169 64.421 62.300 -0.081 0.000 1.015 770 V CB -0.772 31.013 31.823 -0.064 0.000 0.642 770 V HN 0.518 nan 8.190 nan 0.000 0.446 771 R N -0.434 120.033 120.500 -0.055 0.000 2.280 771 R HA -0.009 4.330 4.340 -0.000 0.000 0.207 771 R C 2.339 178.601 176.300 -0.063 0.000 1.043 771 R CA 0.567 56.638 56.100 -0.049 0.000 1.006 771 R CB -0.238 30.037 30.300 -0.041 0.000 0.885 771 R HN 0.520 nan 8.270 nan 0.000 0.467 772 R N 0.286 120.746 120.500 -0.068 0.000 2.080 772 R HA 0.061 4.401 4.340 -0.000 0.000 0.222 772 R C 2.245 178.511 176.300 -0.056 0.000 1.107 772 R CA 1.063 57.117 56.100 -0.077 0.000 0.980 772 R CB -0.138 30.125 30.300 -0.063 0.000 0.879 772 R HN 0.118 nan 8.270 nan 0.000 0.439 773 A N 1.415 124.220 122.820 -0.024 0.000 1.930 773 A HA -0.162 4.157 4.320 -0.000 0.000 0.217 773 A C 1.734 179.392 177.584 0.123 0.000 1.175 773 A CA 1.256 53.327 52.037 0.057 0.000 0.627 773 A CB -0.243 18.738 19.000 -0.031 0.000 0.815 773 A HN 0.294 nan 8.150 nan 0.000 0.443 774 E N -1.341 118.878 120.200 0.032 0.000 2.347 774 E HA 0.151 4.500 4.350 -0.000 0.000 0.196 774 E C 1.148 177.755 176.600 0.010 0.000 1.008 774 E CA 0.293 56.713 56.400 0.034 0.000 0.852 774 E CB -0.225 29.470 29.700 -0.008 0.000 0.783 774 E HN 0.754 nan 8.360 nan 0.000 0.505 775 G N 2.153 110.877 108.800 -0.126 0.000 2.176 775 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.252 775 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.252 775 G C -0.051 174.755 174.900 -0.157 0.000 1.024 775 G CA 0.028 44.927 45.100 -0.335 0.000 0.755 775 G HN 0.177 nan 8.290 nan 0.000 0.507 776 R N 0.366 120.808 120.500 -0.097 0.000 2.608 776 R HA 0.565 4.905 4.340 -0.000 0.000 0.277 776 R C 1.240 177.506 176.300 -0.058 0.000 1.341 776 R CA 0.296 56.360 56.100 -0.060 0.000 1.199 776 R CB 0.202 30.478 30.300 -0.040 0.000 1.156 776 R HN 1.537 nan 8.270 nan 0.000 0.558 777 A N 0.000 122.785 122.820 -0.058 0.000 2.254 777 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 777 A CA 0.000 52.011 52.037 -0.044 0.000 0.836 777 A CB 0.000 18.984 19.000 -0.027 0.000 0.831 777 A HN 0.000 nan 8.150 nan 0.000 0.486