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 1jro_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 0.000 174.502 174.600 -0.164 0.000 1.055 2 S CA 0.000 58.117 58.200 -0.138 0.000 1.107 2 S CB 0.000 63.135 63.200 -0.109 0.000 0.593 3 V N 2.413 122.171 119.914 -0.260 0.000 2.673 3 V HA 0.444 4.564 4.120 -0.001 0.000 0.303 3 V C 1.688 177.650 176.094 -0.221 0.000 1.046 3 V CA 1.849 63.973 62.300 -0.292 0.000 1.126 3 V CB 0.572 32.025 31.823 -0.617 0.000 0.934 3 V HN 0.884 nan 8.190 nan 0.000 0.487 4 G N 3.904 112.616 108.800 -0.146 0.000 2.213 4 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.226 4 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.226 4 G C 0.192 175.046 174.900 -0.077 0.000 0.992 4 G CA -0.104 44.932 45.100 -0.106 0.000 0.632 4 G HN 0.574 nan 8.290 nan 0.000 0.511 5 K N 1.381 121.735 120.400 -0.076 0.000 2.130 5 K HA 0.445 4.765 4.320 -0.001 0.000 0.268 5 K C -2.426 174.150 176.600 -0.040 0.000 0.983 5 K CA -1.694 54.559 56.287 -0.056 0.000 0.893 5 K CB 2.174 34.639 32.500 -0.058 0.000 1.066 5 K HN -0.011 nan 8.250 nan 0.000 0.450 6 P HA 0.123 nan 4.420 nan 0.000 0.225 6 P C -0.608 176.686 177.300 -0.011 0.000 1.813 6 P CA 0.047 63.137 63.100 -0.017 0.000 1.013 6 P CB -0.058 31.634 31.700 -0.014 0.000 1.961 7 L N 3.053 124.268 121.223 -0.013 0.000 2.399 7 L HA 0.451 4.791 4.340 -0.001 0.000 0.266 7 L C -1.530 175.347 176.870 0.011 0.000 1.114 7 L CA -2.382 52.453 54.840 -0.008 0.000 0.804 7 L CB 0.640 42.686 42.059 -0.021 0.000 1.146 7 L HN 0.045 nan 8.230 nan 0.000 0.451 8 P HA 0.005 nan 4.420 nan 0.000 0.274 8 P C -0.777 176.571 177.300 0.079 0.000 1.246 8 P CA -0.302 62.830 63.100 0.054 0.000 0.795 8 P CB 0.516 32.241 31.700 0.041 0.000 1.006 9 H N 2.059 121.131 119.070 0.003 0.000 2.790 9 H HA -0.053 4.503 4.556 -0.001 0.000 0.358 9 H C 1.305 176.614 175.328 -0.031 0.000 1.103 9 H CA 0.682 56.733 56.048 0.005 0.000 1.426 9 H CB 0.666 30.448 29.762 0.034 0.000 1.424 9 H HN 0.548 nan 8.280 nan 0.000 0.599 10 D N 2.042 122.297 120.400 -0.242 0.000 2.271 10 D HA -0.143 4.496 4.640 -0.001 0.000 0.207 10 D C 0.327 176.614 176.300 -0.021 0.000 0.983 10 D CA 1.013 54.947 54.000 -0.110 0.000 0.878 10 D CB 0.154 40.877 40.800 -0.128 0.000 0.920 10 D HN 0.242 nan 8.370 nan 0.000 0.479 11 S N -0.648 115.141 115.700 0.149 0.000 2.749 11 S HA 0.472 4.941 4.470 -0.001 0.000 0.246 11 S C 1.533 175.866 174.600 -0.444 0.000 1.023 11 S CA -0.004 58.114 58.200 -0.137 0.000 1.012 11 S CB 0.992 64.079 63.200 -0.188 0.000 0.942 11 S HN 0.471 nan 8.310 nan 0.000 0.531 12 A N 2.889 125.602 122.820 -0.178 0.000 1.870 12 A HA -0.259 4.060 4.320 -0.001 0.000 0.219 12 A C 2.024 179.568 177.584 -0.067 0.000 1.224 12 A CA 2.141 54.110 52.037 -0.113 0.000 0.650 12 A CB -0.670 18.339 19.000 0.014 0.000 0.836 12 A HN 0.488 nan 8.150 nan 0.000 0.454 13 R N -0.660 119.815 120.500 -0.042 0.000 2.096 13 R HA -0.157 4.183 4.340 -0.001 0.000 0.240 13 R C 2.303 178.605 176.300 0.004 0.000 1.139 13 R CA 1.704 57.799 56.100 -0.008 0.000 0.952 13 R CB -0.459 29.836 30.300 -0.008 0.000 0.854 13 R HN 0.501 nan 8.270 nan 0.000 0.436 14 A N -0.339 122.461 122.820 -0.033 0.000 2.015 14 A HA -0.161 4.159 4.320 -0.001 0.000 0.219 14 A C 1.711 179.369 177.584 0.123 0.000 1.163 14 A CA 1.402 53.445 52.037 0.011 0.000 0.646 14 A CB -0.662 18.322 19.000 -0.025 0.000 0.806 14 A HN 0.558 nan 8.150 nan 0.000 0.448 15 H N -1.751 117.350 119.070 0.052 0.000 2.276 15 H HA -0.067 4.488 4.556 -0.001 0.000 0.301 15 H C 1.995 177.361 175.328 0.063 0.000 1.073 15 H CA 1.137 57.229 56.048 0.073 0.000 1.311 15 H CB -0.007 29.781 29.762 0.043 0.000 1.379 15 H HN 0.259 nan 8.280 nan 0.000 0.494 16 V N 1.164 121.197 119.914 0.198 0.000 3.026 16 V HA -0.157 3.963 4.120 -0.001 0.000 0.265 16 V C 1.849 177.995 176.094 0.087 0.000 1.121 16 V CA 2.119 64.491 62.300 0.120 0.000 1.142 16 V CB -0.376 31.502 31.823 0.092 0.000 0.730 16 V HN 0.669 nan 8.190 nan 0.000 0.503 17 T N -4.382 110.222 114.554 0.084 0.000 3.084 17 T HA 0.368 4.718 4.350 -0.001 0.000 0.270 17 T C 1.305 176.045 174.700 0.067 0.000 1.008 17 T CA 0.569 62.706 62.100 0.061 0.000 0.900 17 T CB 0.775 69.670 68.868 0.044 0.000 1.084 17 T HN 0.834 nan 8.240 nan 0.000 0.538 18 G N 1.599 110.457 108.800 0.096 0.000 2.160 18 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.251 18 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.251 18 G C 0.524 175.477 174.900 0.088 0.000 1.008 18 G CA 0.566 45.726 45.100 0.100 0.000 0.724 18 G HN 0.567 nan 8.290 nan 0.000 0.514 19 Q N -0.534 119.313 119.800 0.079 0.000 2.339 19 Q HA 0.495 4.834 4.340 -0.001 0.000 0.205 19 Q C 1.865 177.887 176.000 0.037 0.000 0.925 19 Q CA 0.534 56.365 55.803 0.047 0.000 0.898 19 Q CB 0.308 29.062 28.738 0.026 0.000 1.013 19 Q HN 0.903 nan 8.270 nan 0.000 0.504 20 A N 1.649 124.508 122.820 0.065 0.000 2.524 20 A HA 0.115 4.435 4.320 -0.001 0.000 0.250 20 A C -0.407 177.115 177.584 -0.103 0.000 1.078 20 A CA 0.195 52.220 52.037 -0.022 0.000 0.761 20 A CB 0.104 19.142 19.000 0.064 0.000 1.012 20 A HN 0.213 nan 8.150 nan 0.000 0.500 21 R N 1.274 121.662 120.500 -0.187 0.000 2.404 21 R HA 0.539 4.878 4.340 -0.001 0.000 0.291 21 R C -1.326 174.766 176.300 -0.347 0.000 1.025 21 R CA -0.126 55.886 56.100 -0.147 0.000 0.991 21 R CB 0.921 31.165 30.300 -0.093 0.000 1.053 21 R HN 0.744 nan 8.270 nan 0.000 0.479 22 Y N 0.512 120.806 120.300 -0.010 0.000 2.598 22 Y HA 0.177 4.726 4.550 -0.001 0.000 0.340 22 Y C 1.298 177.173 175.900 -0.042 0.000 1.038 22 Y CA -0.919 57.168 58.100 -0.022 0.000 1.100 22 Y CB 0.966 39.409 38.460 -0.028 0.000 1.281 22 Y HN 0.424 nan 8.280 nan 0.000 0.488 23 L N 0.878 122.170 121.223 0.115 0.000 2.011 23 L HA -0.328 4.012 4.340 -0.001 0.000 0.225 23 L C 1.741 178.610 176.870 -0.001 0.000 1.084 23 L CA 2.525 57.378 54.840 0.023 0.000 0.791 23 L CB -0.243 41.817 42.059 0.002 0.000 0.898 23 L HN 0.865 nan 8.230 nan 0.000 0.440 24 D N -1.015 119.390 120.400 0.009 0.000 2.350 24 D HA -0.169 4.471 4.640 -0.001 0.000 0.216 24 D C 1.485 177.789 176.300 0.006 0.000 0.968 24 D CA 0.980 54.974 54.000 -0.010 0.000 0.894 24 D CB -0.081 40.698 40.800 -0.035 0.000 0.909 24 D HN 0.504 nan 8.370 nan 0.000 0.520 25 D N -0.313 120.107 120.400 0.033 0.000 2.317 25 D HA -0.028 4.612 4.640 -0.001 0.000 0.211 25 D C 0.688 176.980 176.300 -0.012 0.000 0.966 25 D CA 0.089 54.105 54.000 0.026 0.000 0.876 25 D CB 0.061 40.898 40.800 0.062 0.000 0.927 25 D HN 0.328 nan 8.370 nan 0.000 0.519 26 L N 2.189 123.385 121.223 -0.045 0.000 2.485 26 L HA 0.113 4.453 4.340 -0.001 0.000 0.275 26 L C -1.921 174.910 176.870 -0.066 0.000 1.207 26 L CA -1.379 53.408 54.840 -0.088 0.000 0.855 26 L CB -0.430 41.520 42.059 -0.180 0.000 1.114 26 L HN -0.238 nan 8.230 nan 0.000 0.485 27 P HA 0.173 nan 4.420 nan 0.000 0.271 27 P C -1.032 176.240 177.300 -0.047 0.000 1.216 27 P CA -0.485 62.591 63.100 -0.040 0.000 0.776 27 P CB 0.685 32.362 31.700 -0.039 0.000 0.881 28 C N 1.383 120.668 119.300 -0.026 0.000 3.241 28 C HA 0.687 5.146 4.460 -0.001 0.000 0.312 28 C C -2.619 172.366 174.990 -0.008 0.000 1.350 28 C CA -2.399 56.602 59.018 -0.027 0.000 1.415 28 C CB 0.114 27.829 27.740 -0.041 0.000 1.770 28 C HN 0.376 nan 8.230 nan 0.000 0.466 29 P HA 0.214 nan 4.420 nan 0.000 0.269 29 P C 0.824 178.132 177.300 0.014 0.000 1.205 29 P CA 0.524 63.625 63.100 0.002 0.000 0.780 29 P CB 0.355 32.056 31.700 0.001 0.000 0.858 30 A N 2.483 125.315 122.820 0.020 0.000 2.019 30 A HA -0.176 4.144 4.320 -0.001 0.000 0.219 30 A C 1.445 179.052 177.584 0.039 0.000 1.164 30 A CA 1.633 53.689 52.037 0.031 0.000 0.644 30 A CB -1.019 17.997 19.000 0.026 0.000 0.805 30 A HN 0.740 nan 8.150 nan 0.000 0.449 31 N N -0.000 118.716 118.700 0.028 0.000 2.362 31 N HA 0.021 4.761 4.740 -0.001 0.000 0.211 31 N C -0.347 175.178 175.510 0.025 0.000 1.170 31 N CA 0.419 53.488 53.050 0.031 0.000 0.828 31 N CB -1.027 37.475 38.487 0.026 0.000 1.034 31 N HN 0.124 nan 8.380 nan 0.000 0.475 32 T N 1.341 115.902 114.554 0.012 0.000 2.930 32 T HA 0.208 4.557 4.350 -0.001 0.000 0.306 32 T C 0.442 175.110 174.700 -0.053 0.000 1.045 32 T CA -0.095 61.976 62.100 -0.049 0.000 1.134 32 T CB 0.819 69.627 68.868 -0.099 0.000 0.961 32 T HN 0.137 nan 8.240 nan 0.000 0.545 33 L N 2.713 123.875 121.223 -0.102 0.000 2.334 33 L HA 0.531 4.871 4.340 -0.001 0.000 0.270 33 L C 0.408 177.137 176.870 -0.236 0.000 1.018 33 L CA -1.087 53.736 54.840 -0.028 0.000 0.811 33 L CB 1.114 43.195 42.059 0.036 0.000 1.271 33 L HN 0.617 nan 8.230 nan 0.000 0.443 34 H N 2.115 121.220 119.070 0.059 0.000 2.679 34 H HA 0.658 5.214 4.556 -0.001 0.000 0.367 34 H C -0.976 174.392 175.328 0.066 0.000 1.162 34 H CA -0.670 55.419 56.048 0.068 0.000 1.181 34 H CB 2.615 32.441 29.762 0.107 0.000 1.693 34 H HN 0.294 nan 8.280 nan 0.000 0.538 35 L N 0.905 122.213 121.223 0.141 0.000 2.371 35 L HA 0.790 5.129 4.340 -0.001 0.000 0.262 35 L C -0.509 176.363 176.870 0.003 0.000 1.006 35 L CA -1.087 53.785 54.840 0.054 0.000 0.818 35 L CB 2.258 44.290 42.059 -0.045 0.000 1.354 35 L HN 0.633 nan 8.230 nan 0.000 0.415 36 A N 1.221 124.016 122.820 -0.041 0.000 2.547 36 A HA 0.747 5.066 4.320 -0.001 0.000 0.297 36 A C -1.314 176.214 177.584 -0.093 0.000 1.056 36 A CA -0.443 51.543 52.037 -0.085 0.000 0.688 36 A CB 1.179 20.164 19.000 -0.026 0.000 1.282 36 A HN 0.540 nan 8.150 nan 0.000 0.400 37 F N 0.873 120.819 119.950 -0.006 0.000 2.406 37 F HA 0.488 5.014 4.527 -0.001 0.000 0.327 37 F C 1.435 176.997 175.800 -0.397 0.000 1.153 37 F CA 0.066 57.972 58.000 -0.156 0.000 1.218 37 F CB 1.354 40.314 39.000 -0.067 0.000 1.215 37 F HN 0.671 nan 8.300 nan 0.000 0.570 38 G N 2.569 110.990 108.800 -0.633 0.000 2.343 38 G HA2 0.614 4.574 3.960 -0.001 0.000 0.319 38 G HA3 0.614 4.574 3.960 -0.001 0.000 0.319 38 G C -1.185 173.504 174.900 -0.352 0.000 1.126 38 G CA -0.613 43.915 45.100 -0.953 0.000 0.889 38 G HN 0.497 nan 8.290 nan 0.000 0.457 39 L N 1.213 122.361 121.223 -0.124 0.000 2.313 39 L HA 0.618 4.958 4.340 -0.001 0.000 0.268 39 L C 0.811 177.665 176.870 -0.027 0.000 1.010 39 L CA -1.134 53.647 54.840 -0.098 0.000 0.814 39 L CB 1.896 43.901 42.059 -0.090 0.000 1.304 39 L HN 0.534 nan 8.230 nan 0.000 0.441 40 S N -0.509 115.126 115.700 -0.107 0.000 2.564 40 S HA 0.146 4.615 4.470 -0.001 0.000 0.278 40 S C 0.786 175.337 174.600 -0.081 0.000 1.333 40 S CA -0.145 58.031 58.200 -0.040 0.000 1.048 40 S CB 0.668 63.741 63.200 -0.211 0.000 0.900 40 S HN 0.746 nan 8.310 nan 0.000 0.505 41 T N 1.282 115.792 114.554 -0.073 0.000 3.145 41 T HA 0.364 4.714 4.350 -0.001 0.000 0.255 41 T C -0.161 174.342 174.700 -0.329 0.000 1.039 41 T CA -0.380 61.622 62.100 -0.162 0.000 0.928 41 T CB -0.129 68.693 68.868 -0.076 0.000 1.029 41 T HN 0.546 nan 8.240 nan 0.000 0.554 42 E N 0.403 120.323 120.200 -0.466 0.000 2.266 42 E HA 0.632 4.982 4.350 -0.001 0.000 0.268 42 E C 0.389 176.819 176.600 -0.283 0.000 0.879 42 E CA -0.660 55.476 56.400 -0.440 0.000 0.762 42 E CB 2.033 31.323 29.700 -0.683 0.000 1.199 42 E HN 0.122 nan 8.360 nan 0.000 0.422 43 A N 1.536 124.244 122.820 -0.187 0.000 2.067 43 A HA 0.010 4.330 4.320 -0.001 0.000 0.217 43 A C 0.895 178.414 177.584 -0.109 0.000 1.156 43 A CA 0.957 52.929 52.037 -0.108 0.000 0.683 43 A CB 0.288 19.247 19.000 -0.069 0.000 0.808 43 A HN 0.285 nan 8.150 nan 0.000 0.455 44 S N -1.732 113.879 115.700 -0.149 0.000 2.277 44 S HA 0.546 5.015 4.470 -0.001 0.000 0.230 44 S C -0.808 173.709 174.600 -0.137 0.000 0.893 44 S CA 0.188 58.301 58.200 -0.145 0.000 1.044 44 S CB -0.178 62.973 63.200 -0.081 0.000 1.252 44 S HN 1.478 nan 8.310 nan 0.000 0.393 45 A N 2.726 125.458 122.820 -0.146 0.000 2.602 45 A HA 0.987 5.307 4.320 -0.001 0.000 0.290 45 A C -0.572 176.991 177.584 -0.034 0.000 1.114 45 A CA -0.249 51.755 52.037 -0.055 0.000 0.683 45 A CB 1.012 20.011 19.000 -0.003 0.000 1.281 45 A HN 1.571 nan 8.150 nan 0.000 0.416 46 A N 0.232 123.059 122.820 0.012 0.000 2.312 46 A HA 0.746 5.065 4.320 -0.001 0.000 0.328 46 A C -0.407 177.195 177.584 0.031 0.000 1.158 46 A CA -0.421 51.617 52.037 0.002 0.000 0.821 46 A CB 0.218 19.218 19.000 -0.001 0.000 1.170 46 A HN 0.713 nan 8.150 nan 0.000 0.490 47 I N 1.132 121.696 120.570 -0.010 0.000 2.440 47 I HA 0.294 4.464 4.170 -0.001 0.000 0.294 47 I C 0.982 177.050 176.117 -0.082 0.000 0.995 47 I CA -0.077 61.170 61.300 -0.089 0.000 1.306 47 I CB 1.902 39.837 38.000 -0.108 0.000 1.407 47 I HN 0.766 nan 8.210 nan 0.000 0.501 48 T N 2.879 117.362 114.554 -0.118 0.000 2.964 48 T HA 0.268 4.618 4.350 -0.001 0.000 0.250 48 T C 0.251 174.901 174.700 -0.084 0.000 0.982 48 T CA -0.013 62.043 62.100 -0.075 0.000 0.959 48 T CB 0.686 69.524 68.868 -0.050 0.000 1.141 48 T HN 0.796 nan 8.240 nan 0.000 0.494 49 G N 0.856 109.581 108.800 -0.125 0.000 2.696 49 G HA2 0.604 4.563 3.960 -0.001 0.000 0.295 49 G HA3 0.604 4.563 3.960 -0.001 0.000 0.295 49 G C -2.250 172.557 174.900 -0.155 0.000 1.398 49 G CA -0.425 44.607 45.100 -0.113 0.000 0.920 49 G HN 0.149 nan 8.290 nan 0.000 0.492 50 L N 1.509 122.652 121.223 -0.134 0.000 2.549 50 L HA 0.461 4.801 4.340 -0.001 0.000 0.260 50 L C -1.334 175.443 176.870 -0.156 0.000 1.109 50 L CA -0.780 53.965 54.840 -0.158 0.000 0.900 50 L CB 1.440 43.418 42.059 -0.136 0.000 1.119 50 L HN 0.511 nan 8.230 nan 0.000 0.471 51 D N 3.028 123.337 120.400 -0.152 0.000 2.316 51 D HA 0.324 4.964 4.640 -0.001 0.000 0.245 51 D C 0.578 176.763 176.300 -0.191 0.000 1.171 51 D CA 0.070 53.986 54.000 -0.140 0.000 0.856 51 D CB 1.003 41.741 40.800 -0.103 0.000 1.090 51 D HN 0.587 nan 8.370 nan 0.000 0.476 52 L N 3.082 124.183 121.223 -0.205 0.000 2.728 52 L HA 0.203 4.542 4.340 -0.001 0.000 0.238 52 L C 1.681 178.456 176.870 -0.158 0.000 1.143 52 L CA -0.175 54.509 54.840 -0.260 0.000 0.937 52 L CB 0.182 42.058 42.059 -0.304 0.000 1.225 52 L HN 0.348 nan 8.230 nan 0.000 0.507 53 E N 1.655 121.787 120.200 -0.114 0.000 2.058 53 E HA -0.171 4.179 4.350 -0.001 0.000 0.194 53 E C -0.749 175.815 176.600 -0.060 0.000 0.997 53 E CA 1.739 58.093 56.400 -0.077 0.000 0.801 53 E CB -0.726 28.938 29.700 -0.061 0.000 0.746 53 E HN 0.267 nan 8.360 nan 0.000 0.450 54 P HA -0.092 nan 4.420 nan 0.000 0.226 54 P C 1.024 178.312 177.300 -0.021 0.000 1.153 54 P CA 0.738 63.819 63.100 -0.032 0.000 0.777 54 P CB 0.175 31.859 31.700 -0.027 0.000 0.794 55 V N 0.187 120.076 119.914 -0.043 0.000 2.302 55 V HA -0.148 3.971 4.120 -0.001 0.000 0.243 55 V C 2.437 178.531 176.094 0.000 0.000 1.036 55 V CA 1.486 63.782 62.300 -0.006 0.000 1.020 55 V CB -0.943 30.860 31.823 -0.034 0.000 0.657 55 V HN 0.041 nan 8.190 nan 0.000 0.453 56 R N 0.410 120.891 120.500 -0.031 0.000 2.139 56 R HA -0.219 4.121 4.340 -0.001 0.000 0.243 56 R C 2.046 178.340 176.300 -0.010 0.000 1.145 56 R CA 1.772 57.858 56.100 -0.024 0.000 0.976 56 R CB -0.350 29.923 30.300 -0.045 0.000 0.866 56 R HN 0.612 nan 8.270 nan 0.000 0.449 57 E N 0.566 120.759 120.200 -0.012 0.000 2.427 57 E HA 0.007 4.357 4.350 -0.001 0.000 0.196 57 E C 0.351 176.954 176.600 0.005 0.000 1.028 57 E CA -0.087 56.310 56.400 -0.005 0.000 0.864 57 E CB 0.269 29.963 29.700 -0.010 0.000 0.813 57 E HN 0.030 nan 8.360 nan 0.000 0.514 58 S N 1.683 117.391 115.700 0.013 0.000 2.560 58 S HA 0.074 4.543 4.470 -0.001 0.000 0.284 58 S C -2.373 172.241 174.600 0.024 0.000 1.327 58 S CA -1.590 56.623 58.200 0.022 0.000 1.055 58 S CB 0.449 63.670 63.200 0.035 0.000 0.868 58 S HN -0.153 nan 8.310 nan 0.000 0.506 59 P HA 0.223 nan 4.420 nan 0.000 0.268 59 P C 0.814 178.131 177.300 0.028 0.000 1.205 59 P CA 0.729 63.842 63.100 0.021 0.000 0.771 59 P CB 0.237 31.947 31.700 0.017 0.000 0.858 60 G N 1.006 109.824 108.800 0.029 0.000 2.189 60 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.267 60 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.267 60 G C 0.145 175.075 174.900 0.050 0.000 0.975 60 G CA 0.003 45.126 45.100 0.039 0.000 0.644 60 G HN 0.535 nan 8.290 nan 0.000 0.537 61 V N 1.677 121.618 119.914 0.046 0.000 2.583 61 V HA 0.358 4.478 4.120 -0.001 0.000 0.287 61 V C 1.539 177.660 176.094 0.046 0.000 1.051 61 V CA -0.142 62.191 62.300 0.055 0.000 1.010 61 V CB 1.436 33.289 31.823 0.050 0.000 0.988 61 V HN 0.180 nan 8.190 nan 0.000 0.478 62 I N 2.725 123.331 120.570 0.059 0.000 3.445 62 I HA 0.402 4.571 4.170 -0.001 0.000 0.288 62 I C 0.823 176.952 176.117 0.020 0.000 1.198 62 I CA 0.834 62.163 61.300 0.048 0.000 1.417 62 I CB 0.310 38.354 38.000 0.072 0.000 1.205 62 I HN 0.695 nan 8.210 nan 0.000 0.448 63 A N 0.385 123.217 122.820 0.019 0.000 2.612 63 A HA 0.720 5.040 4.320 -0.001 0.000 0.293 63 A C -1.377 176.114 177.584 -0.155 0.000 1.075 63 A CA -0.357 51.604 52.037 -0.126 0.000 0.680 63 A CB 1.935 20.856 19.000 -0.133 0.000 1.279 63 A HN -0.173 nan 8.150 nan 0.000 0.411 64 V N 0.637 120.314 119.914 -0.394 0.000 2.789 64 V HA 0.770 4.889 4.120 -0.001 0.000 0.311 64 V C -1.356 174.484 176.094 -0.423 0.000 1.073 64 V CA -0.379 61.815 62.300 -0.177 0.000 0.921 64 V CB 1.655 33.442 31.823 -0.061 0.000 1.009 64 V HN 0.766 nan 8.190 nan 0.000 0.426 65 F N 0.764 120.830 119.950 0.193 0.000 2.588 65 F HA 0.798 5.325 4.527 -0.001 0.000 0.314 65 F C 0.327 176.247 175.800 0.200 0.000 1.069 65 F CA -0.529 57.569 58.000 0.164 0.000 0.931 65 F CB 2.596 41.690 39.000 0.156 0.000 1.260 65 F HN 0.373 nan 8.300 nan 0.000 0.465 66 T N -0.077 114.680 114.554 0.338 0.000 2.883 66 T HA 0.541 4.891 4.350 -0.001 0.000 0.296 66 T C 0.757 175.577 174.700 0.200 0.000 1.117 66 T CA 0.035 62.279 62.100 0.240 0.000 1.006 66 T CB 1.814 70.766 68.868 0.140 0.000 1.191 66 T HN 0.705 nan 8.240 nan 0.000 0.508 67 A N 0.935 123.847 122.820 0.153 0.000 1.997 67 A HA -0.026 4.294 4.320 -0.001 0.000 0.221 67 A C 2.219 179.865 177.584 0.104 0.000 1.172 67 A CA 2.362 54.472 52.037 0.122 0.000 0.645 67 A CB -0.935 18.125 19.000 0.100 0.000 0.813 67 A HN 0.916 nan 8.150 nan 0.000 0.454 68 A N -0.971 121.905 122.820 0.093 0.000 2.167 68 A HA -0.003 4.316 4.320 -0.001 0.000 0.214 68 A C 1.424 179.057 177.584 0.082 0.000 1.151 68 A CA 1.239 53.317 52.037 0.069 0.000 0.735 68 A CB -0.196 18.832 19.000 0.046 0.000 0.802 68 A HN 0.501 nan 8.150 nan 0.000 0.467 69 D N -0.352 120.128 120.400 0.133 0.000 2.367 69 D HA 0.111 4.751 4.640 -0.001 0.000 0.207 69 D C 0.299 176.701 176.300 0.169 0.000 1.034 69 D CA 0.042 54.146 54.000 0.174 0.000 0.861 69 D CB 0.061 41.032 40.800 0.285 0.000 0.943 69 D HN 0.338 nan 8.370 nan 0.000 0.515 70 L N 2.789 124.092 121.223 0.133 0.000 2.562 70 L HA 0.023 4.362 4.340 -0.001 0.000 0.271 70 L C -1.070 175.822 176.870 0.036 0.000 1.167 70 L CA -0.851 54.045 54.840 0.094 0.000 0.917 70 L CB 0.424 42.537 42.059 0.090 0.000 1.187 70 L HN -0.212 nan 8.230 nan 0.000 0.482 71 P HA -0.065 nan 4.420 nan 0.000 0.222 71 P C -0.034 176.998 177.300 -0.446 0.000 1.147 71 P CA 1.452 64.462 63.100 -0.151 0.000 0.790 71 P CB 0.358 32.050 31.700 -0.013 0.000 0.780 72 H N -3.246 115.856 119.070 0.054 0.000 4.405 72 H HA 0.250 4.806 4.556 -0.001 0.000 0.433 72 H C -0.318 175.039 175.328 0.048 0.000 1.169 72 H CA -0.735 55.342 56.048 0.048 0.000 0.658 72 H CB -0.649 29.145 29.762 0.054 0.000 1.027 72 H HN -0.334 nan 8.280 nan 0.000 0.772 73 D N 0.871 121.395 120.400 0.207 0.000 2.478 73 D HA 0.037 4.676 4.640 -0.001 0.000 0.234 73 D C -0.042 176.320 176.300 0.104 0.000 1.154 73 D CA 0.661 54.736 54.000 0.124 0.000 0.874 73 D CB 0.229 41.107 40.800 0.130 0.000 1.198 73 D HN 0.360 nan 8.370 nan 0.000 0.455 74 N N 1.858 120.605 118.700 0.078 0.000 2.791 74 N HA 0.162 4.902 4.740 -0.001 0.000 0.265 74 N C -2.096 173.446 175.510 0.052 0.000 1.580 74 N CA -0.563 52.529 53.050 0.069 0.000 0.809 74 N CB 0.221 38.754 38.487 0.077 0.000 1.178 74 N HN 0.228 nan 8.380 nan 0.000 0.499 75 D N 0.425 120.844 120.400 0.032 0.000 2.891 75 D HA 0.474 5.114 4.640 -0.001 0.000 0.224 75 D C -0.550 175.718 176.300 -0.053 0.000 1.321 75 D CA -0.490 53.512 54.000 0.003 0.000 0.929 75 D CB 1.607 42.423 40.800 0.026 0.000 1.551 75 D HN 0.210 nan 8.370 nan 0.000 0.574 76 A N 2.756 125.497 122.820 -0.132 0.000 2.390 76 A HA 0.272 4.591 4.320 -0.001 0.000 0.232 76 A C 0.903 178.412 177.584 -0.125 0.000 1.233 76 A CA -0.120 51.791 52.037 -0.210 0.000 0.907 76 A CB 0.152 18.795 19.000 -0.595 0.000 0.967 76 A HN 0.388 nan 8.150 nan 0.000 0.512 77 S N 1.453 117.096 115.700 -0.094 0.000 2.549 77 S HA 0.274 4.743 4.470 -0.001 0.000 0.283 77 S C -1.382 173.164 174.600 -0.091 0.000 1.320 77 S CA -0.888 57.261 58.200 -0.086 0.000 1.058 77 S CB 0.719 63.858 63.200 -0.102 0.000 0.882 77 S HN 0.291 nan 8.310 nan 0.000 0.498 78 P HA 0.237 nan 4.420 nan 0.000 0.249 78 P C -0.289 176.981 177.300 -0.051 0.000 1.241 78 P CA 0.158 63.219 63.100 -0.066 0.000 0.781 78 P CB -0.119 31.578 31.700 -0.004 0.000 1.088 79 A N 0.313 123.096 122.820 -0.062 0.000 2.435 79 A HA 0.654 4.973 4.320 -0.001 0.000 0.296 79 A C -1.920 175.642 177.584 -0.037 0.000 1.147 79 A CA -1.558 50.452 52.037 -0.046 0.000 0.775 79 A CB 0.395 19.350 19.000 -0.074 0.000 1.340 79 A HN -0.241 nan 8.150 nan 0.000 0.427 80 P HA -0.066 nan 4.420 nan 0.000 0.215 80 P C 0.528 177.824 177.300 -0.007 0.000 1.153 80 P CA 1.544 64.644 63.100 0.000 0.000 0.853 80 P CB -0.143 31.564 31.700 0.011 0.000 0.788 81 S N 0.124 115.813 115.700 -0.019 0.000 2.549 81 S HA 0.345 4.814 4.470 -0.001 0.000 0.279 81 S C -2.425 172.150 174.600 -0.042 0.000 1.321 81 S CA -1.351 56.841 58.200 -0.014 0.000 1.054 81 S CB -0.121 63.083 63.200 0.007 0.000 0.899 81 S HN -0.014 nan 8.310 nan 0.000 0.497 82 P HA 0.362 nan 4.420 nan 0.000 0.274 82 P C -0.756 176.503 177.300 -0.069 0.000 1.246 82 P CA -0.514 62.568 63.100 -0.030 0.000 0.795 82 P CB 0.422 32.126 31.700 0.007 0.000 1.006 83 E N 1.256 121.418 120.200 -0.063 0.000 2.409 83 E HA 0.256 4.605 4.350 -0.001 0.000 0.259 83 E C -2.599 174.042 176.600 0.069 0.000 0.932 83 E CA -2.402 53.950 56.400 -0.080 0.000 0.809 83 E CB 1.184 30.774 29.700 -0.182 0.000 1.341 83 E HN 0.258 nan 8.360 nan 0.000 0.405 84 P HA -0.051 nan 4.420 nan 0.000 0.269 84 P C 0.690 178.090 177.300 0.166 0.000 1.215 84 P CA -0.187 63.005 63.100 0.154 0.000 0.780 84 P CB 1.558 33.373 31.700 0.192 0.000 0.898 85 V N 1.920 121.880 119.914 0.077 0.000 2.331 85 V HA -0.050 4.070 4.120 -0.001 0.000 0.242 85 V C 1.406 177.540 176.094 0.068 0.000 1.034 85 V CA 1.317 63.656 62.300 0.065 0.000 1.027 85 V CB -0.562 31.289 31.823 0.046 0.000 0.667 85 V HN 0.393 nan 8.190 nan 0.000 0.457 86 L N 0.440 121.709 121.223 0.076 0.000 2.343 86 L HA 0.616 4.956 4.340 -0.001 0.000 0.275 86 L C 0.371 177.288 176.870 0.078 0.000 1.056 86 L CA -0.625 54.249 54.840 0.058 0.000 0.804 86 L CB 1.210 43.341 42.059 0.120 0.000 1.203 86 L HN 0.228 nan 8.230 nan 0.000 0.440 87 A N 1.143 123.992 122.820 0.048 0.000 2.546 87 A HA 0.268 4.588 4.320 -0.001 0.000 0.243 87 A C 0.550 178.187 177.584 0.087 0.000 1.063 87 A CA -0.048 52.027 52.037 0.063 0.000 0.757 87 A CB -0.272 18.737 19.000 0.015 0.000 0.991 87 A HN 0.731 nan 8.150 nan 0.000 0.503 88 T N 0.800 115.422 114.554 0.113 0.000 3.281 88 T HA 0.500 4.850 4.350 -0.001 0.000 0.359 88 T C 1.147 175.898 174.700 0.085 0.000 1.459 88 T CA 0.274 62.434 62.100 0.099 0.000 1.114 88 T CB 0.085 69.021 68.868 0.113 0.000 1.162 88 T HN 2.282 nan 8.240 nan 0.000 0.665 89 G N 2.549 111.381 108.800 0.054 0.000 2.228 89 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.270 89 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.270 89 G C -0.182 174.729 174.900 0.019 0.000 0.976 89 G CA 0.657 45.775 45.100 0.030 0.000 0.636 89 G HN 1.055 nan 8.290 nan 0.000 0.542 90 E N -1.574 118.642 120.200 0.026 0.000 2.390 90 E HA 0.647 4.997 4.350 -0.001 0.000 0.280 90 E C -0.476 176.060 176.600 -0.107 0.000 0.992 90 E CA -0.830 55.540 56.400 -0.050 0.000 0.790 90 E CB 2.166 31.811 29.700 -0.091 0.000 1.248 90 E HN 0.977 nan 8.360 nan 0.000 0.447 91 V N -1.487 118.284 119.914 -0.237 0.000 2.919 91 V HA 0.527 4.646 4.120 -0.001 0.000 0.316 91 V C -0.193 175.602 176.094 -0.498 0.000 1.077 91 V CA -0.521 61.616 62.300 -0.271 0.000 0.977 91 V CB 1.625 33.328 31.823 -0.199 0.000 1.039 91 V HN 0.939 nan 8.190 nan 0.000 0.441 92 H N 2.364 121.203 119.070 -0.384 0.000 3.078 92 H HA 0.413 4.968 4.556 -0.001 0.000 0.263 92 H C -0.555 174.700 175.328 -0.122 0.000 1.177 92 H CA 0.471 56.411 56.048 -0.180 0.000 1.128 92 H CB 1.079 30.896 29.762 0.092 0.000 1.623 92 H HN 0.774 nan 8.280 nan 0.000 0.592 93 F N -1.892 117.871 119.950 -0.312 0.000 2.769 93 F HA 0.391 4.918 4.527 -0.001 0.000 0.313 93 F C -1.699 173.974 175.800 -0.211 0.000 1.146 93 F CA -1.397 56.458 58.000 -0.242 0.000 0.934 93 F CB 0.503 39.334 39.000 -0.283 0.000 1.283 93 F HN -0.336 nan 8.300 nan 0.000 0.443 94 V N 2.801 122.757 119.914 0.070 0.000 2.485 94 V HA 0.467 4.586 4.120 -0.001 0.000 0.287 94 V C 0.943 177.110 176.094 0.121 0.000 1.022 94 V CA 1.513 63.797 62.300 -0.027 0.000 1.067 94 V CB 0.090 31.922 31.823 0.015 0.000 0.967 94 V HN 1.627 nan 8.190 nan 0.000 0.479 95 G N 3.651 112.367 108.800 -0.141 0.000 2.316 95 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.203 95 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.203 95 G C 0.370 175.017 174.900 -0.422 0.000 0.999 95 G CA 0.135 45.222 45.100 -0.022 0.000 0.649 95 G HN 0.791 nan 8.290 nan 0.000 0.489 96 Q N 2.266 121.216 119.800 -1.418 0.000 2.286 96 Q HA 0.402 4.742 4.340 -0.001 0.000 0.290 96 Q C -2.325 173.358 176.000 -0.529 0.000 1.049 96 Q CA -0.919 54.166 55.803 -1.196 0.000 0.923 96 Q CB 0.695 28.512 28.738 -1.535 0.000 1.183 96 Q HN 0.273 nan 8.270 nan 0.000 0.383 97 P HA 0.067 nan 4.420 nan 0.000 0.275 97 P C -0.471 176.668 177.300 -0.269 0.000 1.228 97 P CA 0.265 63.105 63.100 -0.433 0.000 0.786 97 P CB 0.774 31.889 31.700 -0.976 0.000 0.927 98 I N 0.412 120.893 120.570 -0.149 0.000 4.399 98 I HA 0.188 4.358 4.170 -0.001 0.000 0.301 98 I C 0.371 176.607 176.117 0.198 0.000 1.198 98 I CA 0.172 61.493 61.300 0.035 0.000 1.315 98 I CB 0.262 38.344 38.000 0.137 0.000 1.452 98 I HN 0.272 nan 8.210 nan 0.000 0.457 99 F N 0.586 120.597 119.950 0.102 0.000 2.631 99 F HA 0.810 5.337 4.527 -0.001 0.000 0.328 99 F C -1.187 174.807 175.800 0.323 0.000 1.067 99 F CA -1.418 56.690 58.000 0.179 0.000 0.969 99 F CB 1.367 40.443 39.000 0.126 0.000 1.332 99 F HN -0.265 nan 8.300 nan 0.000 0.490 100 L N 2.342 123.864 121.223 0.498 0.000 2.381 100 L HA 0.779 5.118 4.340 -0.001 0.000 0.274 100 L C -1.547 175.601 176.870 0.463 0.000 0.988 100 L CA -0.779 54.326 54.840 0.441 0.000 0.824 100 L CB 1.911 44.248 42.059 0.465 0.000 1.263 100 L HN 0.619 nan 8.230 nan 0.000 0.410 101 V N 3.916 124.007 119.914 0.294 0.000 2.513 101 V HA 0.917 5.037 4.120 -0.001 0.000 0.299 101 V C 0.115 176.340 176.094 0.218 0.000 1.035 101 V CA -0.370 62.096 62.300 0.277 0.000 0.889 101 V CB 1.314 33.271 31.823 0.223 0.000 0.988 101 V HN 0.974 nan 8.190 nan 0.000 0.440 102 A N 3.354 126.318 122.820 0.239 0.000 2.330 102 A HA 0.993 5.312 4.320 -0.001 0.000 0.313 102 A C -0.177 177.501 177.584 0.156 0.000 1.124 102 A CA -0.021 52.136 52.037 0.198 0.000 0.774 102 A CB 1.427 20.581 19.000 0.257 0.000 1.198 102 A HN 1.496 nan 8.150 nan 0.000 0.465 103 A N 0.927 123.836 122.820 0.149 0.000 2.552 103 A HA 0.764 5.084 4.320 -0.001 0.000 0.288 103 A C 0.738 178.417 177.584 0.157 0.000 1.193 103 A CA 0.269 52.382 52.037 0.127 0.000 0.713 103 A CB 0.196 19.257 19.000 0.102 0.000 1.305 103 A HN 1.485 nan 8.150 nan 0.000 0.424 104 T N -1.158 113.471 114.554 0.125 0.000 3.194 104 T HA 0.370 4.720 4.350 -0.001 0.000 0.251 104 T C 0.469 175.252 174.700 0.138 0.000 1.132 104 T CA 0.779 62.966 62.100 0.146 0.000 1.028 104 T CB -1.056 67.866 68.868 0.090 0.000 0.976 104 T HN 1.874 nan 8.240 nan 0.000 0.535 105 S N -0.965 114.785 115.700 0.084 0.000 2.543 105 S HA 0.302 4.771 4.470 -0.001 0.000 0.274 105 S C 0.394 174.949 174.600 -0.074 0.000 1.149 105 S CA -0.842 57.285 58.200 -0.121 0.000 0.866 105 S CB 1.137 64.282 63.200 -0.091 0.000 1.111 105 S HN 0.243 nan 8.310 nan 0.000 0.457 106 H N 2.447 121.306 119.070 -0.352 0.000 2.265 106 H HA -0.159 4.397 4.556 -0.001 0.000 0.293 106 H C 1.912 177.220 175.328 -0.034 0.000 1.089 106 H CA 2.445 58.432 56.048 -0.101 0.000 1.244 106 H CB -0.072 29.624 29.762 -0.111 0.000 1.355 106 H HN 0.581 nan 8.280 nan 0.000 0.485 107 R N 0.263 120.721 120.500 -0.070 0.000 2.122 107 R HA -0.168 4.172 4.340 -0.001 0.000 0.236 107 R C 2.589 178.846 176.300 -0.072 0.000 1.129 107 R CA 1.236 57.278 56.100 -0.096 0.000 0.925 107 R CB -1.126 29.155 30.300 -0.031 0.000 0.850 107 R HN 0.456 nan 8.270 nan 0.000 0.431 108 A N 1.091 123.894 122.820 -0.029 0.000 1.958 108 A HA -0.224 4.095 4.320 -0.001 0.000 0.221 108 A C 2.412 180.001 177.584 0.009 0.000 1.178 108 A CA 2.312 54.349 52.037 0.000 0.000 0.642 108 A CB -0.647 18.364 19.000 0.020 0.000 0.816 108 A HN 0.490 nan 8.150 nan 0.000 0.453 109 A N -0.542 122.279 122.820 0.003 0.000 1.855 109 A HA -0.133 4.187 4.320 -0.001 0.000 0.215 109 A C 2.237 179.812 177.584 -0.015 0.000 1.191 109 A CA 1.372 53.423 52.037 0.023 0.000 0.613 109 A CB -0.510 18.520 19.000 0.050 0.000 0.829 109 A HN 0.531 nan 8.150 nan 0.000 0.442 110 R N -0.565 119.871 120.500 -0.106 0.000 2.103 110 R HA -0.141 4.198 4.340 -0.001 0.000 0.242 110 R C 2.057 178.341 176.300 -0.026 0.000 1.142 110 R CA 1.704 57.745 56.100 -0.099 0.000 0.960 110 R CB -0.662 29.524 30.300 -0.190 0.000 0.858 110 R HN 0.584 nan 8.270 nan 0.000 0.439 111 I N 0.560 121.118 120.570 -0.018 0.000 2.142 111 I HA -0.288 3.881 4.170 -0.001 0.000 0.240 111 I C 2.642 178.786 176.117 0.045 0.000 1.078 111 I CA 1.425 62.732 61.300 0.011 0.000 1.343 111 I CB -0.431 37.573 38.000 0.008 0.000 1.046 111 I HN 0.193 nan 8.210 nan 0.000 0.405 112 A N 0.562 123.417 122.820 0.058 0.000 1.940 112 A HA -0.184 4.135 4.320 -0.001 0.000 0.219 112 A C 2.430 180.114 177.584 0.166 0.000 1.176 112 A CA 1.759 53.856 52.037 0.100 0.000 0.631 112 A CB -0.834 18.231 19.000 0.109 0.000 0.814 112 A HN 0.475 nan 8.150 nan 0.000 0.446 113 A N -0.707 122.199 122.820 0.143 0.000 2.178 113 A HA -0.097 4.223 4.320 -0.001 0.000 0.218 113 A C 2.062 179.773 177.584 0.210 0.000 1.157 113 A CA 1.307 53.452 52.037 0.180 0.000 0.689 113 A CB -0.377 18.634 19.000 0.017 0.000 0.787 113 A HN 0.548 nan 8.150 nan 0.000 0.465 114 R N -0.842 119.744 120.500 0.144 0.000 2.334 114 R HA 0.121 4.460 4.340 -0.001 0.000 0.216 114 R C 0.817 177.192 176.300 0.126 0.000 0.905 114 R CA 0.310 56.484 56.100 0.125 0.000 1.064 114 R CB 0.139 30.483 30.300 0.073 0.000 1.046 114 R HN 0.378 nan 8.270 nan 0.000 0.508 115 K N 0.296 120.775 120.400 0.133 0.000 2.387 115 K HA 0.232 4.552 4.320 -0.001 0.000 0.198 115 K C 0.172 176.799 176.600 0.046 0.000 1.022 115 K CA -0.216 56.117 56.287 0.076 0.000 1.128 115 K CB 1.150 33.682 32.500 0.052 0.000 0.853 115 K HN 0.031 nan 8.250 nan 0.000 0.523 116 A N 1.634 124.497 122.820 0.073 0.000 2.287 116 A HA 0.363 4.682 4.320 -0.001 0.000 0.273 116 A C -0.284 177.282 177.584 -0.030 0.000 1.091 116 A CA -0.411 51.587 52.037 -0.065 0.000 0.817 116 A CB 0.425 19.265 19.000 -0.267 0.000 1.069 116 A HN 0.225 nan 8.150 nan 0.000 0.492 117 R N 0.787 121.239 120.500 -0.081 0.000 2.320 117 R HA 0.514 4.853 4.340 -0.001 0.000 0.319 117 R C -1.340 174.898 176.300 -0.103 0.000 0.969 117 R CA -0.026 56.038 56.100 -0.059 0.000 0.857 117 R CB 1.036 31.303 30.300 -0.054 0.000 1.160 117 R HN 0.649 nan 8.270 nan 0.000 0.491 118 I N 1.985 122.490 120.570 -0.109 0.000 2.530 118 I HA 0.322 4.491 4.170 -0.001 0.000 0.297 118 I C 0.352 176.300 176.117 -0.282 0.000 1.011 118 I CA -0.770 60.380 61.300 -0.250 0.000 1.107 118 I CB 2.419 40.208 38.000 -0.352 0.000 1.285 118 I HN 0.526 nan 8.210 nan 0.000 0.436 119 T N 1.701 116.063 114.554 -0.319 0.000 2.823 119 T HA 0.668 5.017 4.350 -0.001 0.000 0.279 119 T C -0.910 173.594 174.700 -0.326 0.000 0.998 119 T CA -0.669 61.302 62.100 -0.214 0.000 0.994 119 T CB 1.167 69.983 68.868 -0.087 0.000 0.960 119 T HN 0.280 nan 8.240 nan 0.000 0.448 120 Y N 0.288 120.573 120.300 -0.025 0.000 2.562 120 Y HA 0.678 5.228 4.550 -0.001 0.000 0.343 120 Y C 0.199 176.081 175.900 -0.030 0.000 1.025 120 Y CA -1.587 56.492 58.100 -0.034 0.000 1.082 120 Y CB 2.038 40.472 38.460 -0.043 0.000 1.264 120 Y HN 0.957 nan 8.280 nan 0.000 0.478 121 A N 3.084 125.981 122.820 0.129 0.000 2.644 121 A HA 0.610 4.930 4.320 -0.001 0.000 0.343 121 A C -2.833 174.777 177.584 0.044 0.000 1.324 121 A CA -1.786 50.288 52.037 0.061 0.000 0.846 121 A CB -0.395 18.622 19.000 0.029 0.000 1.128 121 A HN 0.422 nan 8.150 nan 0.000 0.484 122 P HA 0.252 nan 4.420 nan 0.000 0.269 122 P C -0.196 177.094 177.300 -0.016 0.000 1.217 122 P CA 0.291 63.384 63.100 -0.013 0.000 0.783 122 P CB 0.480 32.164 31.700 -0.028 0.000 0.898 123 R N 1.232 121.713 120.500 -0.032 0.000 2.799 123 R HA 0.546 4.885 4.340 -0.001 0.000 0.270 123 R C -2.655 173.629 176.300 -0.027 0.000 1.010 123 R CA -2.179 53.906 56.100 -0.025 0.000 0.916 123 R CB -0.021 30.263 30.300 -0.027 0.000 1.228 123 R HN 0.255 nan 8.270 nan 0.000 0.469 124 P HA 0.076 nan 4.420 nan 0.000 0.265 124 P C -1.085 176.203 177.300 -0.019 0.000 1.193 124 P CA -0.057 63.033 63.100 -0.016 0.000 0.765 124 P CB 0.671 32.365 31.700 -0.010 0.000 0.823 125 A N 3.841 126.648 122.820 -0.022 0.000 2.325 125 A HA 0.613 4.933 4.320 -0.001 0.000 0.333 125 A C -0.106 177.464 177.584 -0.024 0.000 1.155 125 A CA -0.871 51.151 52.037 -0.025 0.000 0.814 125 A CB 0.507 19.485 19.000 -0.036 0.000 1.206 125 A HN 0.514 nan 8.150 nan 0.000 0.482 126 I N 2.919 123.476 120.570 -0.022 0.000 2.307 126 I HA 0.193 4.362 4.170 -0.001 0.000 0.289 126 I C 0.091 176.169 176.117 -0.065 0.000 1.021 126 I CA 0.113 61.391 61.300 -0.036 0.000 1.224 126 I CB 0.887 38.869 38.000 -0.031 0.000 1.376 126 I HN 0.638 nan 8.210 nan 0.000 0.470 127 L N 4.742 125.916 121.223 -0.081 0.000 2.781 127 L HA 0.203 4.543 4.340 -0.001 0.000 0.245 127 L C 0.679 177.463 176.870 -0.143 0.000 1.118 127 L CA 0.126 54.884 54.840 -0.137 0.000 0.918 127 L CB 0.306 42.293 42.059 -0.120 0.000 1.246 127 L HN 0.618 nan 8.230 nan 0.000 0.526 128 T N -4.068 110.431 114.554 -0.092 0.000 2.916 128 T HA 0.407 4.757 4.350 -0.001 0.000 0.292 128 T C 0.827 175.485 174.700 -0.071 0.000 1.055 128 T CA -0.715 61.339 62.100 -0.078 0.000 1.009 128 T CB 2.264 71.107 68.868 -0.041 0.000 1.118 128 T HN -0.263 nan 8.240 nan 0.000 0.497 129 L N 1.376 122.559 121.223 -0.066 0.000 2.013 129 L HA -0.095 4.245 4.340 -0.001 0.000 0.212 129 L C 2.420 179.252 176.870 -0.063 0.000 1.073 129 L CA 1.826 56.627 54.840 -0.066 0.000 0.753 129 L CB -1.350 40.674 42.059 -0.058 0.000 0.890 129 L HN 0.793 nan 8.230 nan 0.000 0.432 130 D N -0.823 119.549 120.400 -0.048 0.000 2.106 130 D HA -0.252 4.387 4.640 -0.001 0.000 0.191 130 D C 2.059 178.331 176.300 -0.046 0.000 0.997 130 D CA 1.444 55.417 54.000 -0.044 0.000 0.834 130 D CB -0.097 40.687 40.800 -0.027 0.000 0.956 130 D HN 0.490 nan 8.370 nan 0.000 0.448 131 Q N 0.758 120.533 119.800 -0.042 0.000 2.061 131 Q HA -0.126 4.213 4.340 -0.001 0.000 0.204 131 Q C 2.320 178.292 176.000 -0.048 0.000 0.984 131 Q CA 1.689 57.468 55.803 -0.039 0.000 0.846 131 Q CB -0.200 28.516 28.738 -0.036 0.000 0.902 131 Q HN 0.270 nan 8.270 nan 0.000 0.421 132 A N 0.292 123.077 122.820 -0.058 0.000 1.930 132 A HA -0.162 4.158 4.320 -0.001 0.000 0.217 132 A C 1.977 179.520 177.584 -0.069 0.000 1.175 132 A CA 0.990 52.989 52.037 -0.064 0.000 0.627 132 A CB -0.497 18.461 19.000 -0.070 0.000 0.815 132 A HN 0.272 nan 8.150 nan 0.000 0.443 133 L N -0.230 120.944 121.223 -0.080 0.000 1.994 133 L HA -0.097 4.243 4.340 -0.001 0.000 0.208 133 L C 2.930 179.760 176.870 -0.067 0.000 1.071 133 L CA 2.080 56.862 54.840 -0.097 0.000 0.745 133 L CB -1.114 40.870 42.059 -0.125 0.000 0.892 133 L HN 0.384 nan 8.230 nan 0.000 0.431 134 A N -0.951 121.836 122.820 -0.054 0.000 1.948 134 A HA -0.168 4.151 4.320 -0.001 0.000 0.220 134 A C 2.169 179.732 177.584 -0.034 0.000 1.177 134 A CA 1.904 53.918 52.037 -0.039 0.000 0.636 134 A CB -0.904 18.077 19.000 -0.032 0.000 0.815 134 A HN 0.468 nan 8.150 nan 0.000 0.449 135 A N -1.579 121.218 122.820 -0.038 0.000 2.275 135 A HA 0.346 4.665 4.320 -0.001 0.000 0.212 135 A C 0.740 178.303 177.584 -0.035 0.000 1.201 135 A CA 0.991 53.008 52.037 -0.032 0.000 0.843 135 A CB -0.415 18.566 19.000 -0.032 0.000 0.873 135 A HN 0.556 nan 8.150 nan 0.000 0.492 136 D N -0.653 119.724 120.400 -0.039 0.000 2.737 136 D HA -0.172 4.468 4.640 -0.001 0.000 0.233 136 D C 0.128 176.396 176.300 -0.054 0.000 1.155 136 D CA 1.069 55.048 54.000 -0.037 0.000 0.667 136 D CB -1.348 39.439 40.800 -0.021 0.000 1.060 136 D HN 0.334 nan 8.370 nan 0.000 0.427 137 S N 0.255 115.912 115.700 -0.072 0.000 2.405 137 S HA 0.458 4.928 4.470 -0.001 0.000 0.291 137 S C 0.113 174.615 174.600 -0.163 0.000 1.137 137 S CA -0.269 57.863 58.200 -0.114 0.000 1.061 137 S CB 0.196 63.336 63.200 -0.100 0.000 1.001 137 S HN 0.456 nan 8.310 nan 0.000 0.507 138 R N 2.884 123.249 120.500 -0.224 0.000 2.781 138 R HA 0.522 4.862 4.340 -0.001 0.000 0.268 138 R C -1.652 174.429 176.300 -0.365 0.000 1.047 138 R CA -0.883 55.080 56.100 -0.229 0.000 0.925 138 R CB 0.483 30.755 30.300 -0.046 0.000 1.246 138 R HN 0.431 nan 8.270 nan 0.000 0.456 139 F N 0.501 120.453 119.950 0.004 0.000 2.483 139 F HA 0.351 4.878 4.527 -0.001 0.000 0.329 139 F C 0.378 176.177 175.800 -0.002 0.000 1.064 139 F CA -0.325 57.673 58.000 -0.004 0.000 0.986 139 F CB 1.633 40.624 39.000 -0.014 0.000 1.218 139 F HN 0.804 nan 8.300 nan 0.000 0.484 140 E N 0.072 120.395 120.200 0.204 0.000 2.868 140 E HA -0.193 4.157 4.350 -0.001 0.000 0.278 140 E C 0.724 177.362 176.600 0.063 0.000 1.009 140 E CA 0.337 56.801 56.400 0.107 0.000 0.856 140 E CB -1.817 27.934 29.700 0.086 0.000 1.428 140 E HN 1.111 nan 8.360 nan 0.000 0.423 141 G N -0.057 108.773 108.800 0.051 0.000 2.385 141 G HA2 0.032 3.992 3.960 -0.001 0.000 0.284 141 G HA3 0.032 3.992 3.960 -0.001 0.000 0.284 141 G C 0.607 175.524 174.900 0.028 0.000 0.899 141 G CA 1.217 46.335 45.100 0.029 0.000 1.204 141 G HN 1.258 nan 8.290 nan 0.000 0.486 142 G N -0.305 108.515 108.800 0.033 0.000 2.406 142 G HA2 0.390 4.349 3.960 -0.001 0.000 0.680 142 G HA3 0.390 4.349 3.960 -0.001 0.000 0.680 142 G C -2.065 172.835 174.900 0.000 0.000 1.338 142 G CA -0.247 44.873 45.100 0.033 0.000 0.941 142 G HN 0.752 nan 8.290 nan 0.000 0.633 143 P HA 0.450 nan 4.420 nan 0.000 0.271 143 P C -0.186 177.011 177.300 -0.172 0.000 1.244 143 P CA -0.202 62.746 63.100 -0.253 0.000 0.793 143 P CB 1.036 32.416 31.700 -0.535 0.000 0.984 144 V N 2.240 122.024 119.914 -0.217 0.000 2.459 144 V HA 0.412 4.532 4.120 -0.001 0.000 0.295 144 V C 0.460 176.411 176.094 -0.238 0.000 1.029 144 V CA -0.474 61.725 62.300 -0.170 0.000 0.874 144 V CB 1.191 32.896 31.823 -0.196 0.000 0.985 144 V HN 0.364 nan 8.190 nan 0.000 0.438 145 I N 3.957 124.467 120.570 -0.101 0.000 2.499 145 I HA 0.484 4.653 4.170 -0.001 0.000 0.288 145 I C -1.273 175.001 176.117 0.262 0.000 1.048 145 I CA -0.324 60.960 61.300 -0.026 0.000 1.062 145 I CB 2.113 40.129 38.000 0.026 0.000 1.238 145 I HN 0.495 nan 8.210 nan 0.000 0.426 146 W N 4.553 125.901 121.300 0.080 0.000 2.864 146 W HA 0.831 5.491 4.660 -0.001 0.000 0.343 146 W C -0.427 176.165 176.519 0.123 0.000 1.109 146 W CA -1.486 55.932 57.345 0.122 0.000 1.192 146 W CB 1.979 31.560 29.460 0.201 0.000 1.426 146 W HN 0.440 nan 8.180 nan 0.000 0.529 147 A N 2.648 125.689 122.820 0.369 0.000 2.488 147 A HA 0.733 5.052 4.320 -0.001 0.000 0.295 147 A C -1.373 176.326 177.584 0.192 0.000 1.045 147 A CA -0.879 51.299 52.037 0.235 0.000 0.703 147 A CB 1.969 21.064 19.000 0.158 0.000 1.271 147 A HN 0.590 nan 8.150 nan 0.000 0.400 148 R N 2.169 122.771 120.500 0.170 0.000 2.480 148 R HA 0.582 4.922 4.340 -0.001 0.000 0.306 148 R C 0.562 176.913 176.300 0.085 0.000 0.958 148 R CA 0.740 56.920 56.100 0.133 0.000 0.861 148 R CB 1.310 31.708 30.300 0.164 0.000 1.171 148 R HN 2.462 nan 8.270 nan 0.000 0.445 149 G N 2.979 111.821 108.800 0.069 0.000 2.598 149 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.244 149 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.244 149 G C -0.962 173.963 174.900 0.041 0.000 1.302 149 G CA 0.243 45.372 45.100 0.048 0.000 0.903 149 G HN 0.643 nan 8.290 nan 0.000 0.575 150 D N 0.229 120.644 120.400 0.026 0.000 2.378 150 D HA 0.488 5.128 4.640 -0.001 0.000 0.265 150 D C 1.768 178.071 176.300 0.006 0.000 1.229 150 D CA 0.281 54.293 54.000 0.020 0.000 0.914 150 D CB 0.771 41.581 40.800 0.017 0.000 1.140 150 D HN 0.722 nan 8.370 nan 0.000 0.516 151 V N 2.315 122.231 119.914 0.003 0.000 2.231 151 V HA -0.251 3.868 4.120 -0.001 0.000 0.248 151 V C 2.050 178.131 176.094 -0.022 0.000 1.054 151 V CA 1.357 63.647 62.300 -0.016 0.000 1.015 151 V CB -0.715 31.095 31.823 -0.022 0.000 0.638 151 V HN 0.438 nan 8.190 nan 0.000 0.444 152 E N 0.736 120.928 120.200 -0.014 0.000 2.097 152 E HA -0.220 4.130 4.350 -0.001 0.000 0.196 152 E C 2.310 178.899 176.600 -0.017 0.000 1.000 152 E CA 2.122 58.511 56.400 -0.018 0.000 0.804 152 E CB -0.802 28.892 29.700 -0.010 0.000 0.740 152 E HN 0.706 nan 8.360 nan 0.000 0.454 153 T N 1.408 115.956 114.554 -0.010 0.000 2.684 153 T HA -0.137 4.213 4.350 -0.001 0.000 0.267 153 T C 2.050 176.741 174.700 -0.015 0.000 1.036 153 T CA 1.591 63.686 62.100 -0.009 0.000 1.148 153 T CB -0.239 68.628 68.868 -0.001 0.000 0.863 153 T HN 0.321 nan 8.240 nan 0.000 0.436 154 A N 0.760 123.570 122.820 -0.017 0.000 2.015 154 A HA 0.125 4.445 4.320 -0.001 0.000 0.219 154 A C 2.207 179.771 177.584 -0.033 0.000 1.163 154 A CA 0.952 52.975 52.037 -0.023 0.000 0.646 154 A CB -0.617 18.367 19.000 -0.026 0.000 0.806 154 A HN 0.492 nan 8.150 nan 0.000 0.448 155 L N -1.185 120.015 121.223 -0.040 0.000 2.270 155 L HA -0.005 4.334 4.340 -0.001 0.000 0.210 155 L C 2.924 179.766 176.870 -0.046 0.000 1.104 155 L CA 0.644 55.454 54.840 -0.049 0.000 0.804 155 L CB -0.392 41.632 42.059 -0.059 0.000 0.937 155 L HN 0.385 nan 8.230 nan 0.000 0.450 156 A N 0.435 123.233 122.820 -0.037 0.000 1.902 156 A HA -0.071 4.248 4.320 -0.001 0.000 0.217 156 A C 1.987 179.549 177.584 -0.037 0.000 1.181 156 A CA 1.595 53.611 52.037 -0.035 0.000 0.623 156 A CB -0.885 18.099 19.000 -0.027 0.000 0.818 156 A HN 0.397 nan 8.150 nan 0.000 0.443 157 G N -0.769 108.012 108.800 -0.033 0.000 3.678 157 G HA2 0.482 4.441 3.960 -0.001 0.000 0.287 157 G HA3 0.482 4.441 3.960 -0.001 0.000 0.287 157 G C 0.151 175.029 174.900 -0.037 0.000 1.280 157 G CA 0.521 45.602 45.100 -0.032 0.000 1.118 157 G HN 0.709 nan 8.290 nan 0.000 0.563 158 A N 0.006 122.798 122.820 -0.047 0.000 2.276 158 A HA 0.738 5.058 4.320 -0.001 0.000 0.316 158 A C 1.427 178.962 177.584 -0.083 0.000 1.229 158 A CA 0.202 52.211 52.037 -0.048 0.000 0.851 158 A CB 1.174 20.149 19.000 -0.042 0.000 1.165 158 A HN 0.655 nan 8.150 nan 0.000 0.513 159 A N 2.195 124.969 122.820 -0.077 0.000 1.917 159 A HA -0.003 4.317 4.320 -0.001 0.000 0.219 159 A C 0.856 178.151 177.584 -0.482 0.000 1.182 159 A CA 1.889 53.795 52.037 -0.218 0.000 0.633 159 A CB -0.535 18.413 19.000 -0.087 0.000 0.819 159 A HN 0.917 nan 8.150 nan 0.000 0.448 160 H N -3.674 115.361 119.070 -0.058 0.000 2.865 160 H HA 0.782 5.337 4.556 -0.001 0.000 0.372 160 H C -1.023 174.249 175.328 -0.092 0.000 1.173 160 H CA -0.545 55.459 56.048 -0.073 0.000 1.147 160 H CB 1.757 31.476 29.762 -0.073 0.000 1.805 160 H HN 0.302 nan 8.280 nan 0.000 0.553 161 L N 0.688 121.915 121.223 0.007 0.000 2.612 161 L HA 0.779 5.118 4.340 -0.001 0.000 0.256 161 L C -1.669 175.111 176.870 -0.150 0.000 0.949 161 L CA -0.378 54.417 54.840 -0.074 0.000 0.867 161 L CB 1.854 43.861 42.059 -0.086 0.000 1.417 161 L HN 0.841 nan 8.230 nan 0.000 0.414 162 A N 3.187 125.892 122.820 -0.192 0.000 2.402 162 A HA 0.767 5.087 4.320 -0.001 0.000 0.291 162 A C -1.408 176.030 177.584 -0.244 0.000 1.051 162 A CA -0.537 51.286 52.037 -0.358 0.000 0.716 162 A CB 1.286 19.994 19.000 -0.485 0.000 1.223 162 A HN 0.631 nan 8.150 nan 0.000 0.425 163 E N 1.041 121.048 120.200 -0.322 0.000 2.207 163 E HA 0.714 5.064 4.350 -0.001 0.000 0.270 163 E C -0.025 176.331 176.600 -0.407 0.000 0.927 163 E CA -0.821 55.401 56.400 -0.296 0.000 0.799 163 E CB 2.539 32.117 29.700 -0.204 0.000 1.172 163 E HN 0.965 nan 8.360 nan 0.000 0.404 164 G N 0.076 108.380 108.800 -0.826 0.000 2.523 164 G HA2 0.445 4.404 3.960 -0.001 0.000 0.291 164 G HA3 0.445 4.404 3.960 -0.001 0.000 0.291 164 G C -1.735 172.740 174.900 -0.710 0.000 1.450 164 G CA -0.483 44.203 45.100 -0.689 0.000 0.790 164 G HN 0.638 nan 8.290 nan 0.000 0.496 165 C N 0.543 119.812 119.300 -0.051 0.000 2.891 165 C HA 0.961 5.420 4.460 -0.001 0.000 0.342 165 C C -1.360 173.914 174.990 0.472 0.000 1.126 165 C CA -1.069 58.064 59.018 0.193 0.000 1.322 165 C CB -0.035 27.768 27.740 0.105 0.000 1.763 165 C HN 1.627 nan 8.230 nan 0.000 0.491 166 F N 2.954 123.053 119.950 0.247 0.000 2.693 166 F HA 0.743 5.270 4.527 -0.001 0.000 0.309 166 F C -0.915 174.988 175.800 0.171 0.000 1.129 166 F CA -0.703 57.428 58.000 0.219 0.000 0.948 166 F CB 1.085 40.253 39.000 0.279 0.000 1.315 166 F HN 0.542 nan 8.300 nan 0.000 0.447 167 E N 2.967 123.140 120.200 -0.046 0.000 2.242 167 E HA 0.553 4.902 4.350 -0.001 0.000 0.275 167 E C -0.893 175.555 176.600 -0.253 0.000 1.002 167 E CA -0.672 55.644 56.400 -0.141 0.000 0.841 167 E CB 2.853 32.556 29.700 0.005 0.000 1.109 167 E HN 0.634 nan 8.360 nan 0.000 0.394 168 I N 1.456 121.894 120.570 -0.220 0.000 2.468 168 I HA 0.247 4.417 4.170 -0.001 0.000 0.284 168 I C 0.512 176.612 176.117 -0.028 0.000 1.038 168 I CA -0.731 60.431 61.300 -0.231 0.000 1.083 168 I CB 1.862 39.699 38.000 -0.270 0.000 1.223 168 I HN 0.466 nan 8.210 nan 0.000 0.443 169 G N 3.739 112.519 108.800 -0.033 0.000 2.599 169 G HA2 0.487 4.446 3.960 -0.001 0.000 0.264 169 G HA3 0.487 4.446 3.960 -0.001 0.000 0.264 169 G C 0.482 175.539 174.900 0.261 0.000 1.200 169 G CA -0.107 45.056 45.100 0.106 0.000 0.896 169 G HN 0.678 nan 8.290 nan 0.000 0.536 170 G N -1.483 107.472 108.800 0.258 0.000 2.486 170 G HA2 0.473 4.432 3.960 -0.001 0.000 0.272 170 G HA3 0.473 4.432 3.960 -0.001 0.000 0.272 170 G C -0.198 174.839 174.900 0.228 0.000 1.426 170 G CA -0.145 45.103 45.100 0.248 0.000 1.058 170 G HN 0.743 nan 8.290 nan 0.000 0.531 171 Q N -1.484 118.320 119.800 0.007 0.000 2.352 171 Q HA 0.367 4.707 4.340 -0.001 0.000 0.270 171 Q C -1.569 174.342 176.000 -0.148 0.000 1.006 171 Q CA -0.708 55.035 55.803 -0.101 0.000 0.880 171 Q CB 2.133 30.503 28.738 -0.613 0.000 1.392 171 Q HN 0.510 nan 8.270 nan 0.000 0.401 172 E N 0.972 121.113 120.200 -0.099 0.000 2.283 172 E HA 0.210 4.560 4.350 -0.001 0.000 0.271 172 E C -0.339 176.383 176.600 0.203 0.000 1.031 172 E CA 0.306 56.616 56.400 -0.151 0.000 0.868 172 E CB 0.831 30.125 29.700 -0.677 0.000 1.094 172 E HN 0.725 nan 8.360 nan 0.000 0.401 173 H N 2.552 121.749 119.070 0.212 0.000 2.363 173 H HA 0.109 4.664 4.556 -0.001 0.000 0.301 173 H C -0.155 175.158 175.328 -0.024 0.000 1.074 173 H CA 1.326 57.378 56.048 0.006 0.000 1.354 173 H CB -0.165 29.441 29.762 -0.261 0.000 1.397 173 H HN 0.532 nan 8.280 nan 0.000 0.516 174 F N 0.881 120.651 119.950 -0.299 0.000 2.891 174 F HA -0.247 4.280 4.527 -0.001 0.000 0.272 174 F C -1.017 174.688 175.800 -0.159 0.000 1.004 174 F CA -0.532 57.324 58.000 -0.239 0.000 0.938 174 F CB -1.815 37.177 39.000 -0.013 0.000 0.939 174 F HN 0.110 nan 8.300 nan 0.000 0.833 175 Y N 0.527 120.844 120.300 0.027 0.000 2.346 175 Y HA 0.367 4.916 4.550 -0.001 0.000 0.330 175 Y C 1.048 176.853 175.900 -0.158 0.000 1.178 175 Y CA -1.565 56.593 58.100 0.096 0.000 1.331 175 Y CB 0.215 38.752 38.460 0.128 0.000 1.253 175 Y HN 0.108 nan 8.280 nan 0.000 0.529 176 L N 0.944 122.191 121.223 0.039 0.000 2.093 176 L HA -0.069 4.271 4.340 -0.001 0.000 0.208 176 L C 1.097 177.915 176.870 -0.086 0.000 1.085 176 L CA 1.387 56.158 54.840 -0.116 0.000 0.755 176 L CB -0.564 41.440 42.059 -0.091 0.000 0.904 176 L HN 0.855 nan 8.230 nan 0.000 0.435 177 E N 0.260 120.433 120.200 -0.045 0.000 2.229 177 E HA 0.284 4.634 4.350 -0.001 0.000 0.283 177 E C 0.150 176.747 176.600 -0.005 0.000 1.030 177 E CA -0.243 56.099 56.400 -0.095 0.000 0.836 177 E CB 1.251 30.837 29.700 -0.189 0.000 1.068 177 E HN 0.205 nan 8.360 nan 0.000 0.401 178 G N 3.283 112.084 108.800 0.001 0.000 2.684 178 G HA2 -0.025 3.935 3.960 -0.001 0.000 0.255 178 G HA3 -0.025 3.935 3.960 -0.001 0.000 0.255 178 G C -0.033 174.794 174.900 -0.123 0.000 1.219 178 G CA -0.490 44.648 45.100 0.063 0.000 0.901 178 G HN 0.569 nan 8.290 nan 0.000 0.548 179 Q N -0.716 119.013 119.800 -0.118 0.000 2.392 179 Q HA 0.466 4.806 4.340 -0.001 0.000 0.262 179 Q C 0.137 175.955 176.000 -0.303 0.000 1.003 179 Q CA 0.526 56.160 55.803 -0.280 0.000 0.888 179 Q CB 1.356 29.925 28.738 -0.281 0.000 1.260 179 Q HN 0.760 nan 8.270 nan 0.000 0.435 180 A N 0.358 123.021 122.820 -0.263 0.000 2.597 180 A HA 0.818 5.138 4.320 -0.001 0.000 0.292 180 A C -1.778 175.714 177.584 -0.153 0.000 1.057 180 A CA 0.058 51.967 52.037 -0.213 0.000 0.674 180 A CB 1.509 20.426 19.000 -0.138 0.000 1.278 180 A HN 0.770 nan 8.150 nan 0.000 0.416 181 A N -0.212 122.531 122.820 -0.128 0.000 2.610 181 A HA 0.861 5.181 4.320 -0.001 0.000 0.291 181 A C -2.096 175.449 177.584 -0.064 0.000 1.086 181 A CA -0.336 51.653 52.037 -0.080 0.000 0.677 181 A CB 1.387 20.337 19.000 -0.084 0.000 1.278 181 A HN 2.340 nan 8.150 nan 0.000 0.414 182 L N 0.179 121.389 121.223 -0.022 0.000 2.445 182 L HA 0.931 5.270 4.340 -0.001 0.000 0.262 182 L C -0.575 176.302 176.870 0.011 0.000 0.974 182 L CA -0.026 54.806 54.840 -0.014 0.000 0.822 182 L CB 1.837 43.907 42.059 0.018 0.000 1.339 182 L HN 1.740 nan 8.230 nan 0.000 0.409 183 A N 5.318 128.132 122.820 -0.010 0.000 2.381 183 A HA 0.839 5.159 4.320 -0.001 0.000 0.299 183 A C -1.818 175.764 177.584 -0.005 0.000 1.049 183 A CA -0.419 51.609 52.037 -0.015 0.000 0.715 183 A CB 1.129 20.107 19.000 -0.037 0.000 1.222 183 A HN 0.659 nan 8.150 nan 0.000 0.428 184 L N 3.161 124.387 121.223 0.005 0.000 2.349 184 L HA 0.480 4.820 4.340 -0.001 0.000 0.278 184 L C -2.479 174.390 176.870 -0.001 0.000 0.996 184 L CA -2.200 52.645 54.840 0.010 0.000 0.825 184 L CB 2.179 44.259 42.059 0.035 0.000 1.243 184 L HN 0.389 nan 8.230 nan 0.000 0.412 185 P HA 0.071 nan 4.420 nan 0.000 0.264 185 P C -0.624 176.677 177.300 0.002 0.000 1.193 185 P CA 0.011 63.112 63.100 0.002 0.000 0.763 185 P CB 0.880 32.585 31.700 0.008 0.000 0.810 186 A N 3.476 126.295 122.820 -0.002 0.000 3.082 186 A HA 0.311 4.631 4.320 -0.001 0.000 0.328 186 A C 0.024 177.606 177.584 -0.004 0.000 1.089 186 A CA -0.618 51.416 52.037 -0.004 0.000 0.802 186 A CB -0.331 18.662 19.000 -0.011 0.000 1.138 186 A HN 0.672 nan 8.150 nan 0.000 0.474 187 E N 0.523 120.723 120.200 -0.000 0.000 2.055 187 E HA -0.204 4.146 4.350 -0.001 0.000 0.251 187 E C 0.953 177.553 176.600 -0.001 0.000 1.718 187 E CA 0.818 57.218 56.400 0.000 0.000 0.881 187 E CB -1.642 28.056 29.700 -0.004 0.000 0.890 187 E HN 2.168 nan 8.360 nan 0.000 0.319 188 G N 1.724 110.528 108.800 0.006 0.000 2.550 188 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.233 188 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.233 188 G C 0.595 175.502 174.900 0.012 0.000 1.170 188 G CA 0.351 45.457 45.100 0.010 0.000 0.693 188 G HN 1.340 nan 8.290 nan 0.000 0.512 189 G N -1.228 107.575 108.800 0.005 0.000 3.107 189 G HA2 0.883 4.843 3.960 -0.001 0.000 0.232 189 G HA3 0.883 4.843 3.960 -0.001 0.000 0.232 189 G C -0.502 174.395 174.900 -0.004 0.000 1.339 189 G CA 0.482 45.585 45.100 0.006 0.000 1.033 189 G HN 1.489 nan 8.290 nan 0.000 0.567 190 V N -2.658 117.247 119.914 -0.015 0.000 3.130 190 V HA 0.809 4.929 4.120 -0.001 0.000 0.310 190 V C -0.775 175.290 176.094 -0.048 0.000 1.158 190 V CA -1.005 61.278 62.300 -0.027 0.000 1.029 190 V CB 1.467 33.269 31.823 -0.035 0.000 1.057 190 V HN 0.574 nan 8.190 nan 0.000 0.436 191 V N 2.857 122.735 119.914 -0.059 0.000 2.540 191 V HA 0.595 4.714 4.120 -0.001 0.000 0.302 191 V C -0.814 175.201 176.094 -0.132 0.000 1.035 191 V CA -0.399 61.834 62.300 -0.112 0.000 0.873 191 V CB 1.743 33.500 31.823 -0.110 0.000 0.992 191 V HN 0.688 nan 8.190 nan 0.000 0.428 192 I N 3.978 124.434 120.570 -0.191 0.000 2.436 192 I HA 0.482 4.652 4.170 -0.001 0.000 0.289 192 I C -0.191 175.765 176.117 -0.268 0.000 1.010 192 I CA -0.519 60.690 61.300 -0.152 0.000 1.098 192 I CB 1.651 39.584 38.000 -0.112 0.000 1.266 192 I HN 0.587 nan 8.210 nan 0.000 0.434 193 H N 4.890 123.929 119.070 -0.052 0.000 2.463 193 H HA 0.628 5.183 4.556 -0.001 0.000 0.332 193 H C -0.143 175.149 175.328 -0.059 0.000 1.127 193 H CA -0.258 55.760 56.048 -0.050 0.000 1.238 193 H CB 2.532 32.266 29.762 -0.046 0.000 1.478 193 H HN 0.851 nan 8.280 nan 0.000 0.499 194 C N 0.620 119.948 119.300 0.047 0.000 3.320 194 C HA 0.541 5.001 4.460 -0.001 0.000 0.335 194 C C -0.024 174.953 174.990 -0.021 0.000 1.430 194 C CA -1.063 57.949 59.018 -0.011 0.000 1.271 194 C CB 1.357 29.070 27.740 -0.045 0.000 1.609 194 C HN 0.716 nan 8.230 nan 0.000 0.457 195 S N 1.417 117.081 115.700 -0.060 0.000 2.505 195 S HA 0.701 5.170 4.470 -0.001 0.000 0.280 195 S C -0.540 173.996 174.600 -0.106 0.000 1.197 195 S CA 0.293 58.450 58.200 -0.072 0.000 1.138 195 S CB -0.273 62.870 63.200 -0.095 0.000 1.010 195 S HN 1.821 nan 8.310 nan 0.000 0.480 196 S N 3.343 118.996 115.700 -0.078 0.000 2.550 196 S HA 0.386 4.855 4.470 -0.001 0.000 0.270 196 S C 0.078 174.646 174.600 -0.053 0.000 1.145 196 S CA -0.619 57.536 58.200 -0.076 0.000 0.852 196 S CB 1.553 64.724 63.200 -0.048 0.000 1.119 196 S HN 0.706 nan 8.310 nan 0.000 0.465 197 Q N 1.463 121.234 119.800 -0.047 0.000 2.403 197 Q HA 0.174 4.513 4.340 -0.001 0.000 0.203 197 Q C -0.101 175.918 176.000 0.031 0.000 0.932 197 Q CA 0.359 56.137 55.803 -0.042 0.000 0.945 197 Q CB 0.081 28.773 28.738 -0.076 0.000 1.045 197 Q HN 0.731 nan 8.270 nan 0.000 0.511 198 H N -0.108 118.927 119.070 -0.058 0.000 2.696 198 H HA 0.124 4.680 4.556 -0.001 0.000 0.221 198 H C -2.098 173.193 175.328 -0.062 0.000 1.399 198 H CA -1.935 54.082 56.048 -0.051 0.000 1.408 198 H CB 1.148 30.881 29.762 -0.049 0.000 1.853 198 H HN -0.023 nan 8.280 nan 0.000 0.546 199 P HA -0.146 nan 4.420 nan 0.000 0.218 199 P C 1.435 178.693 177.300 -0.071 0.000 1.148 199 P CA 1.073 64.162 63.100 -0.019 0.000 0.822 199 P CB 0.418 32.109 31.700 -0.015 0.000 0.784 200 S N -0.103 115.578 115.700 -0.031 0.000 2.383 200 S HA -0.182 4.288 4.470 -0.001 0.000 0.227 200 S C 2.010 176.446 174.600 -0.273 0.000 1.026 200 S CA 1.319 59.453 58.200 -0.109 0.000 0.981 200 S CB -0.721 62.471 63.200 -0.013 0.000 0.818 200 S HN 0.333 nan 8.310 nan 0.000 0.472 201 E N 0.937 120.820 120.200 -0.529 0.000 2.077 201 E HA -0.119 4.231 4.350 -0.001 0.000 0.193 201 E C 1.837 178.246 176.600 -0.319 0.000 0.989 201 E CA 0.964 57.045 56.400 -0.532 0.000 0.800 201 E CB -0.081 29.149 29.700 -0.784 0.000 0.746 201 E HN 0.289 nan 8.360 nan 0.000 0.452 202 I N 1.348 121.771 120.570 -0.246 0.000 2.264 202 I HA -0.292 3.878 4.170 -0.001 0.000 0.248 202 I C 2.545 178.541 176.117 -0.200 0.000 1.111 202 I CA 1.507 62.703 61.300 -0.173 0.000 1.382 202 I CB -1.177 36.748 38.000 -0.125 0.000 1.060 202 I HN 0.406 nan 8.210 nan 0.000 0.418 203 Q N 0.278 119.937 119.800 -0.236 0.000 2.020 203 Q HA -0.277 4.062 4.340 -0.001 0.000 0.202 203 Q C 2.367 178.079 176.000 -0.480 0.000 0.982 203 Q CA 2.045 57.669 55.803 -0.300 0.000 0.838 203 Q CB -0.245 28.320 28.738 -0.288 0.000 0.899 203 Q HN 0.607 nan 8.270 nan 0.000 0.423 204 H N 0.031 118.665 119.070 -0.727 0.000 2.265 204 H HA -0.133 4.423 4.556 -0.001 0.000 0.295 204 H C 1.953 176.894 175.328 -0.645 0.000 1.084 204 H CA 1.959 57.415 56.048 -0.986 0.000 1.261 204 H CB 0.268 29.656 29.762 -0.623 0.000 1.360 204 H HN 0.077 nan 8.280 nan 0.000 0.487 205 K N 0.114 120.432 120.400 -0.138 0.000 2.057 205 K HA -0.086 4.233 4.320 -0.001 0.000 0.206 205 K C 2.353 178.914 176.600 -0.066 0.000 1.050 205 K CA 1.076 57.328 56.287 -0.058 0.000 0.935 205 K CB -0.377 32.068 32.500 -0.092 0.000 0.715 205 K HN 0.238 nan 8.250 nan 0.000 0.439 206 V N 1.889 121.732 119.914 -0.119 0.000 2.295 206 V HA -0.261 3.858 4.120 -0.001 0.000 0.246 206 V C 2.553 178.605 176.094 -0.071 0.000 1.049 206 V CA 1.920 64.171 62.300 -0.081 0.000 1.024 206 V CB -0.845 30.920 31.823 -0.096 0.000 0.648 206 V HN 0.304 nan 8.190 nan 0.000 0.447 207 A N -0.570 122.157 122.820 -0.154 0.000 1.884 207 A HA -0.341 3.979 4.320 -0.001 0.000 0.219 207 A C 2.007 179.609 177.584 0.031 0.000 1.197 207 A CA 2.583 54.560 52.037 -0.099 0.000 0.637 207 A CB -1.104 17.762 19.000 -0.224 0.000 0.827 207 A HN 0.750 nan 8.150 nan 0.000 0.450 208 H N -1.169 117.921 119.070 0.034 0.000 2.423 208 H HA 0.072 4.628 4.556 -0.001 0.000 0.297 208 H C 2.369 177.722 175.328 0.042 0.000 1.075 208 H CA 0.543 56.624 56.048 0.054 0.000 1.342 208 H CB 0.011 29.840 29.762 0.111 0.000 1.395 208 H HN 0.584 nan 8.280 nan 0.000 0.530 209 A N 0.503 123.415 122.820 0.152 0.000 2.066 209 A HA -0.039 4.280 4.320 -0.001 0.000 0.218 209 A C 2.085 179.751 177.584 0.137 0.000 1.157 209 A CA 0.856 52.971 52.037 0.130 0.000 0.670 209 A CB -0.102 18.944 19.000 0.077 0.000 0.804 209 A HN 0.333 nan 8.150 nan 0.000 0.453 210 L N -1.976 119.283 121.223 0.060 0.000 2.556 210 L HA 0.230 4.570 4.340 -0.001 0.000 0.226 210 L C 1.341 178.086 176.870 -0.207 0.000 1.089 210 L CA 0.687 55.547 54.840 0.034 0.000 0.864 210 L CB 0.088 42.153 42.059 0.010 0.000 1.067 210 L HN 0.572 nan 8.230 nan 0.000 0.477 211 G N 1.573 110.163 108.800 -0.350 0.000 2.303 211 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.260 211 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.260 211 G C -0.469 174.280 174.900 -0.251 0.000 1.106 211 G CA -0.074 44.639 45.100 -0.645 0.000 0.900 211 G HN 0.207 nan 8.290 nan 0.000 0.495 212 L N -0.937 120.238 121.223 -0.080 0.000 2.359 212 L HA 0.899 5.239 4.340 -0.001 0.000 0.256 212 L C 0.639 177.528 176.870 0.032 0.000 1.026 212 L CA -0.931 53.901 54.840 -0.013 0.000 0.828 212 L CB 1.989 44.059 42.059 0.018 0.000 1.406 212 L HN 0.401 nan 8.230 nan 0.000 0.413 213 A N -0.029 122.792 122.820 0.002 0.000 2.302 213 A HA 0.476 4.796 4.320 -0.001 0.000 0.285 213 A C 0.581 178.217 177.584 0.086 0.000 1.105 213 A CA -0.281 51.697 52.037 -0.098 0.000 0.816 213 A CB 0.143 18.913 19.000 -0.383 0.000 1.067 213 A HN 0.597 nan 8.150 nan 0.000 0.489 214 F N 1.026 120.842 119.950 -0.224 0.000 2.184 214 F HA -0.239 4.288 4.527 -0.000 0.000 0.301 214 F C 2.296 178.072 175.800 -0.040 0.000 1.076 214 F CA 2.156 60.061 58.000 -0.158 0.000 1.295 214 F CB -1.337 37.555 39.000 -0.180 0.000 1.026 214 F HN 0.898 nan 8.300 nan 0.000 0.494 215 H N -2.367 116.772 119.070 0.115 0.000 2.563 215 H HA 0.010 4.565 4.556 -0.001 0.000 0.272 215 H C 0.456 175.797 175.328 0.020 0.000 1.005 215 H CA 0.693 56.769 56.048 0.047 0.000 1.171 215 H CB -0.227 29.543 29.762 0.014 0.000 1.351 215 H HN 0.119 nan 8.280 nan 0.000 0.602 216 D N 1.460 122.063 120.400 0.338 0.000 2.368 216 D HA 0.169 4.809 4.640 -0.001 0.000 0.218 216 D C -0.520 175.817 176.300 0.063 0.000 1.112 216 D CA 0.068 54.164 54.000 0.161 0.000 0.834 216 D CB 1.052 41.954 40.800 0.170 0.000 0.953 216 D HN 0.155 nan 8.370 nan 0.000 0.505 217 V N 1.141 121.081 119.914 0.044 0.000 2.569 217 V HA 0.330 4.450 4.120 -0.001 0.000 0.301 217 V C -0.126 175.941 176.094 -0.045 0.000 1.044 217 V CA -0.923 61.363 62.300 -0.023 0.000 0.874 217 V CB 2.828 34.610 31.823 -0.068 0.000 1.002 217 V HN -0.091 nan 8.190 nan 0.000 0.424 218 R N 3.752 124.212 120.500 -0.066 0.000 2.562 218 R HA 0.846 5.186 4.340 -0.001 0.000 0.298 218 R C -1.956 174.268 176.300 -0.127 0.000 0.961 218 R CA -0.390 55.661 56.100 -0.081 0.000 0.881 218 R CB 2.130 32.388 30.300 -0.072 0.000 1.159 218 R HN 0.492 nan 8.270 nan 0.000 0.450 219 V N 3.860 123.699 119.914 -0.124 0.000 2.540 219 V HA 0.393 4.513 4.120 -0.001 0.000 0.302 219 V C -0.680 175.326 176.094 -0.146 0.000 1.035 219 V CA -0.689 61.522 62.300 -0.149 0.000 0.873 219 V CB 1.891 33.644 31.823 -0.118 0.000 0.992 219 V HN 0.844 nan 8.190 nan 0.000 0.428 220 E N 4.067 124.145 120.200 -0.203 0.000 2.266 220 E HA 0.751 5.100 4.350 -0.001 0.000 0.268 220 E C -1.009 175.566 176.600 -0.042 0.000 0.879 220 E CA -0.946 55.379 56.400 -0.124 0.000 0.762 220 E CB 2.645 32.253 29.700 -0.153 0.000 1.199 220 E HN 0.610 nan 8.360 nan 0.000 0.422 221 M N 2.152 121.752 119.600 0.000 0.000 2.206 221 M HA 0.362 4.842 4.480 -0.001 0.000 0.272 221 M C -0.623 175.696 176.300 0.032 0.000 1.012 221 M CA -0.395 54.920 55.300 0.024 0.000 0.986 221 M CB 1.687 34.284 32.600 -0.005 0.000 1.740 221 M HN 0.364 nan 8.290 nan 0.000 0.472 222 R N 3.329 123.851 120.500 0.038 0.000 2.156 222 R HA 0.434 4.774 4.340 -0.001 0.000 0.207 222 R C -0.411 175.918 176.300 0.049 0.000 1.040 222 R CA 1.543 57.661 56.100 0.031 0.000 1.013 222 R CB 0.514 30.812 30.300 -0.003 0.000 0.931 222 R HN 0.789 nan 8.270 nan 0.000 0.465 223 R N -1.217 119.291 120.500 0.014 0.000 2.664 223 R HA 0.322 4.661 4.340 -0.001 0.000 0.260 223 R C -1.503 174.832 176.300 0.058 0.000 1.062 223 R CA -0.738 55.377 56.100 0.025 0.000 0.902 223 R CB 0.674 30.962 30.300 -0.019 0.000 1.258 223 R HN -0.007 nan 8.270 nan 0.000 0.465 224 M N 1.235 120.878 119.600 0.072 0.000 2.436 224 M HA 0.385 4.865 4.480 -0.001 0.000 0.331 224 M C 0.765 177.165 176.300 0.166 0.000 1.135 224 M CA -0.618 54.733 55.300 0.085 0.000 0.987 224 M CB 2.284 34.855 32.600 -0.047 0.000 1.687 224 M HN 0.952 nan 8.290 nan 0.000 0.445 225 G N 2.005 110.893 108.800 0.147 0.000 3.180 225 G HA2 0.451 4.410 3.960 -0.001 0.000 0.252 225 G HA3 0.451 4.410 3.960 -0.001 0.000 0.252 225 G C 0.425 175.329 174.900 0.008 0.000 0.871 225 G CA 0.394 45.484 45.100 -0.016 0.000 1.979 225 G HN 1.098 nan 8.290 nan 0.000 0.624 226 G N -1.278 107.511 108.800 -0.018 0.000 2.692 226 G HA2 0.373 4.332 3.960 -0.001 0.000 0.686 226 G HA3 0.373 4.332 3.960 -0.001 0.000 0.686 226 G C 0.545 175.332 174.900 -0.189 0.000 1.243 226 G CA -0.228 44.815 45.100 -0.095 0.000 0.782 226 G HN 1.340 nan 8.290 nan 0.000 0.625 227 G N -1.107 107.346 108.800 -0.579 0.000 2.647 227 G HA2 0.517 4.477 3.960 -0.001 0.000 0.212 227 G HA3 0.517 4.477 3.960 -0.001 0.000 0.212 227 G C 0.875 175.639 174.900 -0.228 0.000 1.540 227 G CA 0.830 45.739 45.100 -0.318 0.000 0.608 227 G HN 1.773 nan 8.290 nan 0.000 1.094 228 F N 0.676 120.582 119.950 -0.073 0.000 3.059 228 F HA -0.206 4.321 4.527 -0.001 0.000 0.290 228 F C 2.019 177.692 175.800 -0.212 0.000 0.786 228 F CA 1.340 59.247 58.000 -0.155 0.000 1.060 228 F CB -1.437 37.418 39.000 -0.242 0.000 1.327 228 F HN 1.253 nan 8.300 nan 0.000 0.409 229 G N -1.295 107.450 108.800 -0.091 0.000 2.391 229 G HA2 -0.111 3.848 3.960 -0.001 0.000 0.204 229 G HA3 -0.111 3.848 3.960 -0.001 0.000 0.204 229 G C 1.083 175.892 174.900 -0.152 0.000 1.012 229 G CA -0.057 45.031 45.100 -0.020 0.000 0.651 229 G HN 1.116 nan 8.290 nan 0.000 0.494 230 G N 0.285 108.735 108.800 -0.584 0.000 2.653 230 G HA2 0.137 4.096 3.960 -0.001 0.000 0.212 230 G HA3 0.137 4.096 3.960 -0.001 0.000 0.212 230 G C 1.185 175.892 174.900 -0.322 0.000 1.138 230 G CA 1.457 46.008 45.100 -0.915 0.000 0.782 230 G HN 0.522 nan 8.290 nan 0.000 0.535 231 K N -0.483 119.777 120.400 -0.232 0.000 2.387 231 K HA 0.169 4.489 4.320 -0.001 0.000 0.203 231 K C 1.593 178.153 176.600 -0.066 0.000 1.030 231 K CA -0.096 56.087 56.287 -0.174 0.000 1.099 231 K CB 0.575 32.928 32.500 -0.245 0.000 0.863 231 K HN 0.334 nan 8.250 nan 0.000 0.529 232 E N 0.933 121.121 120.200 -0.021 0.000 2.153 232 E HA -0.176 4.173 4.350 -0.001 0.000 0.194 232 E C 1.428 178.095 176.600 0.112 0.000 0.988 232 E CA 1.801 58.236 56.400 0.060 0.000 0.811 232 E CB 0.308 30.062 29.700 0.091 0.000 0.746 232 E HN 0.240 nan 8.360 nan 0.000 0.466 233 S N -1.707 114.041 115.700 0.079 0.000 2.784 233 S HA 0.035 4.504 4.470 -0.001 0.000 0.266 233 S C 1.465 176.123 174.600 0.098 0.000 1.079 233 S CA -0.554 57.696 58.200 0.084 0.000 0.989 233 S CB -0.026 63.230 63.200 0.093 0.000 0.926 233 S HN 0.071 nan 8.310 nan 0.000 0.497 234 Q N 1.803 121.663 119.800 0.101 0.000 2.561 234 Q HA 0.101 4.441 4.340 -0.001 0.000 0.217 234 Q C 1.781 177.869 176.000 0.146 0.000 0.980 234 Q CA 1.264 57.162 55.803 0.158 0.000 0.927 234 Q CB -0.979 27.839 28.738 0.134 0.000 0.980 234 Q HN 0.743 nan 8.270 nan 0.000 0.525 235 G N 1.151 109.988 108.800 0.061 0.000 2.464 235 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.217 235 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.217 235 G C 1.247 176.191 174.900 0.073 0.000 1.138 235 G CA 0.310 45.422 45.100 0.020 0.000 0.793 235 G HN 0.439 nan 8.290 nan 0.000 0.539 236 N N 0.386 119.138 118.700 0.087 0.000 2.073 236 N HA -0.255 4.484 4.740 -0.001 0.000 0.199 236 N C 1.886 177.456 175.510 0.100 0.000 1.023 236 N CA 1.698 54.775 53.050 0.046 0.000 0.880 236 N CB -0.317 38.164 38.487 -0.011 0.000 1.052 236 N HN 0.398 nan 8.380 nan 0.000 0.449 237 H N 0.327 119.478 119.070 0.136 0.000 2.319 237 H HA -0.064 4.491 4.556 -0.001 0.000 0.299 237 H C 2.030 177.500 175.328 0.237 0.000 1.092 237 H CA 1.050 57.245 56.048 0.244 0.000 1.302 237 H CB -0.436 29.567 29.762 0.402 0.000 1.373 237 H HN 0.137 nan 8.280 nan 0.000 0.497 238 L N 0.112 121.488 121.223 0.255 0.000 2.056 238 L HA -0.086 4.254 4.340 -0.001 0.000 0.207 238 L C 2.657 179.529 176.870 0.002 0.000 1.078 238 L CA 1.564 56.427 54.840 0.039 0.000 0.749 238 L CB -0.849 41.102 42.059 -0.179 0.000 0.901 238 L HN 0.324 nan 8.230 nan 0.000 0.433 239 A N -0.129 122.693 122.820 0.003 0.000 1.855 239 A HA -0.150 4.170 4.320 -0.001 0.000 0.215 239 A C 2.344 179.920 177.584 -0.014 0.000 1.191 239 A CA 1.637 53.658 52.037 -0.027 0.000 0.613 239 A CB -0.816 18.158 19.000 -0.043 0.000 0.829 239 A HN 0.310 nan 8.150 nan 0.000 0.442 240 I N -0.049 120.529 120.570 0.013 0.000 2.151 240 I HA -0.355 3.815 4.170 -0.001 0.000 0.243 240 I C 2.965 179.091 176.117 0.014 0.000 1.080 240 I CA 1.312 62.619 61.300 0.012 0.000 1.339 240 I CB -0.237 37.776 38.000 0.020 0.000 1.039 240 I HN 0.375 nan 8.210 nan 0.000 0.409 241 A N -0.452 122.405 122.820 0.060 0.000 1.902 241 A HA -0.245 4.074 4.320 -0.001 0.000 0.217 241 A C 2.428 179.966 177.584 -0.078 0.000 1.181 241 A CA 1.935 53.983 52.037 0.019 0.000 0.623 241 A CB -1.275 17.767 19.000 0.070 0.000 0.818 241 A HN 0.567 nan 8.150 nan 0.000 0.443 242 C N -1.082 118.177 119.300 -0.068 0.000 2.429 242 C HA 0.072 4.532 4.460 -0.001 0.000 0.277 242 C C 3.322 178.265 174.990 -0.077 0.000 1.262 242 C CA 0.727 59.696 59.018 -0.082 0.000 1.733 242 C CB -1.363 26.334 27.740 -0.072 0.000 2.010 242 C HN 0.705 nan 8.230 nan 0.000 0.483 243 A N 0.261 123.045 122.820 -0.061 0.000 1.858 243 A HA -0.111 4.208 4.320 -0.001 0.000 0.216 243 A C 2.319 179.865 177.584 -0.063 0.000 1.190 243 A CA 2.139 54.145 52.037 -0.050 0.000 0.617 243 A CB -0.909 18.068 19.000 -0.038 0.000 0.827 243 A HN 0.336 nan 8.150 nan 0.000 0.443 244 V N -0.047 119.815 119.914 -0.086 0.000 2.287 244 V HA -0.300 3.820 4.120 -0.001 0.000 0.248 244 V C 3.075 179.013 176.094 -0.260 0.000 1.053 244 V CA 2.121 64.336 62.300 -0.142 0.000 1.027 244 V CB -1.204 30.522 31.823 -0.162 0.000 0.646 244 V HN 0.638 nan 8.190 nan 0.000 0.447 245 A N -0.350 122.270 122.820 -0.335 0.000 1.933 245 A HA -0.134 4.186 4.320 -0.001 0.000 0.218 245 A C 2.397 179.949 177.584 -0.054 0.000 1.175 245 A CA 2.200 54.060 52.037 -0.295 0.000 0.628 245 A CB -0.716 18.179 19.000 -0.175 0.000 0.814 245 A HN 0.591 nan 8.150 nan 0.000 0.444 246 A N -0.257 122.533 122.820 -0.049 0.000 1.855 246 A HA -0.124 4.196 4.320 -0.001 0.000 0.215 246 A C 2.203 179.797 177.584 0.017 0.000 1.191 246 A CA 1.742 53.775 52.037 -0.006 0.000 0.613 246 A CB -0.528 18.461 19.000 -0.018 0.000 0.829 246 A HN 0.539 nan 8.150 nan 0.000 0.442 247 R N -0.263 120.242 120.500 0.009 0.000 2.117 247 R HA -0.175 4.164 4.340 -0.001 0.000 0.243 247 R C 2.113 178.453 176.300 0.068 0.000 1.143 247 R CA 1.801 57.923 56.100 0.036 0.000 0.968 247 R CB -0.385 29.939 30.300 0.041 0.000 0.863 247 R HN 0.460 nan 8.270 nan 0.000 0.444 248 A N -0.620 122.254 122.820 0.091 0.000 1.898 248 A HA -0.084 4.235 4.320 -0.001 0.000 0.214 248 A C 2.098 179.779 177.584 0.162 0.000 1.183 248 A CA 1.601 53.745 52.037 0.179 0.000 0.622 248 A CB -0.571 18.659 19.000 0.383 0.000 0.824 248 A HN 0.582 nan 8.150 nan 0.000 0.444 249 T N -4.353 110.294 114.554 0.155 0.000 3.065 249 T HA 0.392 4.741 4.350 -0.001 0.000 0.252 249 T C 1.404 176.151 174.700 0.077 0.000 1.099 249 T CA 1.078 63.251 62.100 0.122 0.000 1.063 249 T CB 0.111 69.057 68.868 0.130 0.000 0.948 249 T HN 1.663 nan 8.240 nan 0.000 0.506 250 G N 2.317 111.156 108.800 0.064 0.000 2.143 250 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.248 250 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.248 250 G C 0.007 174.928 174.900 0.035 0.000 0.991 250 G CA 0.177 45.304 45.100 0.045 0.000 0.689 250 G HN 0.898 nan 8.290 nan 0.000 0.522 251 R N -1.007 119.515 120.500 0.036 0.000 2.867 251 R HA 0.708 5.047 4.340 -0.001 0.000 0.268 251 R C -3.170 173.133 176.300 0.005 0.000 1.014 251 R CA -2.459 53.654 56.100 0.022 0.000 0.946 251 R CB 0.949 31.264 30.300 0.025 0.000 1.208 251 R HN 0.035 nan 8.270 nan 0.000 0.477 252 P HA 0.067 nan 4.420 nan 0.000 0.269 252 P C -0.740 176.528 177.300 -0.053 0.000 1.209 252 P CA -0.371 62.714 63.100 -0.025 0.000 0.776 252 P CB 0.487 32.171 31.700 -0.027 0.000 0.876 253 C N 3.047 122.306 119.300 -0.069 0.000 2.481 253 C HA 0.450 4.910 4.460 -0.001 0.000 0.324 253 C C 0.081 174.996 174.990 -0.127 0.000 1.170 253 C CA -0.468 58.490 59.018 -0.101 0.000 1.361 253 C CB 1.312 29.013 27.740 -0.065 0.000 1.977 253 C HN 0.539 nan 8.230 nan 0.000 0.459 254 K N 2.791 123.068 120.400 -0.206 0.000 2.156 254 K HA 0.797 5.116 4.320 -0.001 0.000 0.250 254 K C -1.080 175.454 176.600 -0.109 0.000 0.955 254 K CA -0.490 55.696 56.287 -0.169 0.000 0.855 254 K CB 1.500 33.865 32.500 -0.225 0.000 1.101 254 K HN 0.774 nan 8.250 nan 0.000 0.434 255 M N 3.904 123.449 119.600 -0.093 0.000 2.322 255 M HA 0.311 4.790 4.480 -0.001 0.000 0.286 255 M C -1.717 174.511 176.300 -0.120 0.000 1.111 255 M CA -0.630 54.622 55.300 -0.080 0.000 0.941 255 M CB 1.833 34.340 32.600 -0.156 0.000 1.671 255 M HN 0.775 nan 8.290 nan 0.000 0.470 256 R N 3.669 124.140 120.500 -0.049 0.000 2.673 256 R HA 0.494 4.834 4.340 -0.001 0.000 0.281 256 R C -2.272 174.091 176.300 0.105 0.000 0.991 256 R CA -0.653 55.387 56.100 -0.101 0.000 0.896 256 R CB 1.522 31.743 30.300 -0.132 0.000 1.201 256 R HN 0.723 nan 8.270 nan 0.000 0.457 257 Y N 1.586 121.928 120.300 0.071 0.000 2.313 257 Y HA 0.084 4.634 4.550 -0.001 0.000 0.332 257 Y C 0.755 176.732 175.900 0.129 0.000 1.071 257 Y CA -0.896 57.276 58.100 0.119 0.000 1.169 257 Y CB 1.305 39.835 38.460 0.116 0.000 1.192 257 Y HN 0.602 nan 8.280 nan 0.000 0.487 258 D N 3.176 123.791 120.400 0.357 0.000 2.443 258 D HA -0.057 4.583 4.640 -0.001 0.000 0.239 258 D C 1.188 177.588 176.300 0.166 0.000 1.136 258 D CA 0.134 54.276 54.000 0.238 0.000 0.879 258 D CB 0.938 41.851 40.800 0.189 0.000 1.195 258 D HN 0.646 nan 8.370 nan 0.000 0.443 259 R N 2.732 123.301 120.500 0.114 0.000 2.119 259 R HA -0.221 4.119 4.340 -0.001 0.000 0.246 259 R C 1.186 177.519 176.300 0.054 0.000 1.146 259 R CA 2.372 58.523 56.100 0.085 0.000 0.962 259 R CB -0.040 30.292 30.300 0.053 0.000 0.863 259 R HN 0.509 nan 8.270 nan 0.000 0.442 260 D N 0.030 120.434 120.400 0.007 0.000 2.087 260 D HA -0.156 4.484 4.640 -0.001 0.000 0.192 260 D C 1.491 177.802 176.300 0.019 0.000 0.993 260 D CA 1.792 55.762 54.000 -0.050 0.000 0.828 260 D CB -0.382 40.350 40.800 -0.114 0.000 0.968 260 D HN 0.248 nan 8.370 nan 0.000 0.448 261 D N 0.512 120.921 120.400 0.015 0.000 2.154 261 D HA -0.210 4.429 4.640 -0.001 0.000 0.190 261 D C 1.656 177.877 176.300 -0.132 0.000 1.003 261 D CA 1.094 55.058 54.000 -0.061 0.000 0.849 261 D CB -0.552 40.186 40.800 -0.103 0.000 0.942 261 D HN 0.216 nan 8.370 nan 0.000 0.446 262 D N -0.274 120.110 120.400 -0.026 0.000 2.157 262 D HA -0.192 4.447 4.640 -0.001 0.000 0.191 262 D C 1.984 178.331 176.300 0.079 0.000 1.004 262 D CA 1.171 55.232 54.000 0.102 0.000 0.854 262 D CB -0.031 40.941 40.800 0.287 0.000 0.936 262 D HN 0.231 nan 8.370 nan 0.000 0.446 263 M N -0.242 119.397 119.600 0.064 0.000 2.288 263 M HA -0.076 4.403 4.480 -0.001 0.000 0.266 263 M C 2.391 178.727 176.300 0.061 0.000 1.072 263 M CA 0.368 55.701 55.300 0.055 0.000 1.132 263 M CB 0.123 32.749 32.600 0.043 0.000 1.386 263 M HN -0.071 nan 8.290 nan 0.000 0.432 264 V N 0.662 120.620 119.914 0.074 0.000 2.591 264 V HA -0.174 3.946 4.120 -0.001 0.000 0.249 264 V C 2.075 178.245 176.094 0.125 0.000 1.053 264 V CA 1.401 63.764 62.300 0.104 0.000 1.068 264 V CB -0.195 31.695 31.823 0.112 0.000 0.689 264 V HN 0.380 nan 8.190 nan 0.000 0.462 265 I N -0.252 120.348 120.570 0.050 0.000 2.585 265 I HA -0.015 4.155 4.170 -0.001 0.000 0.254 265 I C 1.441 177.607 176.117 0.081 0.000 1.129 265 I CA 0.867 62.214 61.300 0.078 0.000 1.455 265 I CB -0.260 37.670 38.000 -0.116 0.000 1.111 265 I HN 0.421 nan 8.210 nan 0.000 0.433 266 T N -0.995 113.616 114.554 0.094 0.000 2.862 266 T HA 0.579 4.928 4.350 -0.001 0.000 0.276 266 T C 0.458 175.233 174.700 0.125 0.000 0.974 266 T CA -0.444 61.740 62.100 0.140 0.000 0.966 266 T CB 1.694 70.707 68.868 0.242 0.000 1.072 266 T HN 0.160 nan 8.240 nan 0.000 0.538 267 G N -0.044 108.845 108.800 0.147 0.000 2.508 267 G HA2 0.635 4.595 3.960 -0.001 0.000 0.278 267 G HA3 0.635 4.595 3.960 -0.001 0.000 0.278 267 G C -0.888 174.138 174.900 0.210 0.000 1.389 267 G CA -0.907 44.266 45.100 0.123 0.000 1.050 267 G HN 0.861 nan 8.290 nan 0.000 0.522 268 K N -1.688 118.807 120.400 0.157 0.000 2.578 268 K HA 0.330 4.650 4.320 -0.001 0.000 0.287 268 K C -0.385 176.262 176.600 0.079 0.000 1.010 268 K CA -0.913 55.456 56.287 0.138 0.000 0.889 268 K CB 2.017 34.559 32.500 0.071 0.000 1.514 268 K HN 0.543 nan 8.250 nan 0.000 0.424 269 R N 1.108 121.633 120.500 0.040 0.000 2.758 269 R HA 0.008 4.348 4.340 -0.001 0.000 0.263 269 R C -0.749 175.581 176.300 0.050 0.000 1.010 269 R CA 0.225 56.325 56.100 0.001 0.000 1.114 269 R CB 0.217 30.301 30.300 -0.359 0.000 0.985 269 R HN 0.532 nan 8.270 nan 0.000 0.439 270 H N 1.914 121.045 119.070 0.101 0.000 2.767 270 H HA 0.039 4.594 4.556 -0.001 0.000 0.316 270 H C -0.435 175.055 175.328 0.270 0.000 1.059 270 H CA 0.250 56.394 56.048 0.160 0.000 1.461 270 H CB 0.532 30.414 29.762 0.200 0.000 1.475 270 H HN 0.519 nan 8.280 nan 0.000 0.531 271 D N 3.626 124.196 120.400 0.283 0.000 2.350 271 D HA 0.066 4.705 4.640 -0.001 0.000 0.249 271 D C -0.265 176.209 176.300 0.291 0.000 1.119 271 D CA -0.025 54.155 54.000 0.300 0.000 0.886 271 D CB 0.959 41.883 40.800 0.206 0.000 1.195 271 D HN 0.280 nan 8.370 nan 0.000 0.437 272 F N 0.028 119.988 119.950 0.016 0.000 2.557 272 F HA 0.447 4.974 4.527 -0.001 0.000 0.336 272 F C 0.890 176.638 175.800 -0.086 0.000 1.058 272 F CA -1.246 56.729 58.000 -0.041 0.000 0.988 272 F CB 2.235 41.166 39.000 -0.115 0.000 1.275 272 F HN 0.130 nan 8.300 nan 0.000 0.488 273 R N 2.214 122.771 120.500 0.095 0.000 2.513 273 R HA 0.651 4.991 4.340 -0.001 0.000 0.301 273 R C -1.849 174.532 176.300 0.136 0.000 0.968 273 R CA -0.440 55.686 56.100 0.044 0.000 0.872 273 R CB 1.282 31.605 30.300 0.038 0.000 1.177 273 R HN 0.675 nan 8.270 nan 0.000 0.444 274 I N 3.742 124.378 120.570 0.110 0.000 2.436 274 I HA 0.430 4.599 4.170 -0.001 0.000 0.289 274 I C -0.238 176.132 176.117 0.422 0.000 1.010 274 I CA -0.866 60.637 61.300 0.338 0.000 1.098 274 I CB 2.126 40.331 38.000 0.341 0.000 1.266 274 I HN 0.463 nan 8.210 nan 0.000 0.434 275 R N 5.490 126.227 120.500 0.394 0.000 2.393 275 R HA 0.577 4.916 4.340 -0.001 0.000 0.310 275 R C -1.548 174.949 176.300 0.328 0.000 0.968 275 R CA -0.497 55.750 56.100 0.246 0.000 0.867 275 R CB 1.469 31.852 30.300 0.138 0.000 1.124 275 R HN 0.553 nan 8.270 nan 0.000 0.450 276 Y N -0.369 120.047 120.300 0.192 0.000 2.605 276 Y HA 0.692 5.242 4.550 -0.001 0.000 0.343 276 Y C -0.971 174.867 175.900 -0.103 0.000 1.036 276 Y CA -1.396 56.706 58.100 0.004 0.000 1.065 276 Y CB 1.575 40.076 38.460 0.069 0.000 1.288 276 Y HN 0.318 nan 8.280 nan 0.000 0.481 277 R N 2.435 122.898 120.500 -0.062 0.000 2.533 277 R HA 0.670 5.010 4.340 -0.001 0.000 0.288 277 R C -1.970 174.249 176.300 -0.135 0.000 1.039 277 R CA -0.695 55.352 56.100 -0.088 0.000 0.909 277 R CB 2.630 32.861 30.300 -0.116 0.000 1.195 277 R HN 0.950 nan 8.270 nan 0.000 0.438 278 I N 0.726 121.243 120.570 -0.089 0.000 2.769 278 I HA 0.765 4.934 4.170 -0.001 0.000 0.298 278 I C -1.107 174.945 176.117 -0.108 0.000 1.128 278 I CA -0.496 60.722 61.300 -0.136 0.000 1.031 278 I CB 2.420 40.332 38.000 -0.147 0.000 1.235 278 I HN 0.708 nan 8.210 nan 0.000 0.423 279 G N 4.879 113.620 108.800 -0.099 0.000 2.667 279 G HA2 0.820 4.779 3.960 -0.001 0.000 0.298 279 G HA3 0.820 4.779 3.960 -0.001 0.000 0.298 279 G C -1.823 173.046 174.900 -0.051 0.000 1.377 279 G CA -0.355 44.705 45.100 -0.067 0.000 0.964 279 G HN 0.895 nan 8.290 nan 0.000 0.493 280 A N 1.042 123.856 122.820 -0.010 0.000 2.435 280 A HA 0.804 5.124 4.320 -0.001 0.000 0.296 280 A C -0.251 177.367 177.584 0.058 0.000 1.147 280 A CA -0.538 51.498 52.037 -0.000 0.000 0.775 280 A CB 1.469 20.447 19.000 -0.036 0.000 1.340 280 A HN 0.714 nan 8.150 nan 0.000 0.427 281 D N -0.443 119.982 120.400 0.041 0.000 2.312 281 D HA 0.389 5.029 4.640 -0.001 0.000 0.244 281 D C 1.382 177.754 176.300 0.119 0.000 1.328 281 D CA 1.058 55.091 54.000 0.054 0.000 0.965 281 D CB 0.559 41.375 40.800 0.026 0.000 1.140 281 D HN 0.549 nan 8.370 nan 0.000 0.523 282 A N -0.249 122.629 122.820 0.096 0.000 1.874 282 A HA -0.057 4.263 4.320 -0.001 0.000 0.214 282 A C 2.098 179.716 177.584 0.058 0.000 1.189 282 A CA 1.611 53.727 52.037 0.132 0.000 0.615 282 A CB -1.017 18.032 19.000 0.082 0.000 0.830 282 A HN 0.537 nan 8.150 nan 0.000 0.443 283 S N -1.656 114.060 115.700 0.027 0.000 2.442 283 S HA 0.260 4.730 4.470 -0.001 0.000 0.236 283 S C 1.514 176.097 174.600 -0.029 0.000 1.007 283 S CA 1.663 59.863 58.200 0.000 0.000 0.965 283 S CB -0.261 62.942 63.200 0.006 0.000 0.773 283 S HN 1.875 nan 8.310 nan 0.000 0.504 284 G N 0.082 108.860 108.800 -0.037 0.000 2.296 284 G HA2 -0.131 3.829 3.960 -0.001 0.000 0.188 284 G HA3 -0.131 3.829 3.960 -0.001 0.000 0.188 284 G C -0.167 174.697 174.900 -0.061 0.000 1.000 284 G CA -0.343 44.713 45.100 -0.074 0.000 0.672 284 G HN 0.372 nan 8.290 nan 0.000 0.483 285 K N 1.527 121.912 120.400 -0.026 0.000 2.416 285 K HA 0.355 4.675 4.320 -0.001 0.000 0.283 285 K C 1.232 177.817 176.600 -0.025 0.000 1.037 285 K CA -0.211 56.070 56.287 -0.009 0.000 0.995 285 K CB 0.660 33.178 32.500 0.030 0.000 0.938 285 K HN 0.417 nan 8.250 nan 0.000 0.475 286 L N 3.457 124.650 121.223 -0.049 0.000 2.499 286 L HA -0.086 4.253 4.340 -0.001 0.000 0.281 286 L C 1.636 178.469 176.870 -0.062 0.000 1.234 286 L CA 0.203 54.997 54.840 -0.077 0.000 0.839 286 L CB 0.097 42.090 42.059 -0.111 0.000 1.104 286 L HN 0.547 nan 8.230 nan 0.000 0.500 287 L N 0.896 122.077 121.223 -0.069 0.000 2.730 287 L HA 0.402 4.742 4.340 -0.001 0.000 0.236 287 L C 0.648 177.470 176.870 -0.081 0.000 1.061 287 L CA 0.269 55.075 54.840 -0.057 0.000 0.898 287 L CB 0.808 42.845 42.059 -0.036 0.000 1.270 287 L HN 0.787 nan 8.230 nan 0.000 0.500 288 G N -0.501 108.243 108.800 -0.094 0.000 2.466 288 G HA2 0.649 4.609 3.960 -0.001 0.000 0.291 288 G HA3 0.649 4.609 3.960 -0.001 0.000 0.291 288 G C -2.167 172.659 174.900 -0.124 0.000 1.460 288 G CA 0.146 45.187 45.100 -0.099 0.000 0.791 288 G HN 0.058 nan 8.290 nan 0.000 0.505 289 A N 0.072 122.807 122.820 -0.142 0.000 2.540 289 A HA 0.736 5.056 4.320 -0.001 0.000 0.297 289 A C -2.113 175.287 177.584 -0.306 0.000 1.056 289 A CA -0.426 51.441 52.037 -0.284 0.000 0.700 289 A CB 2.347 21.194 19.000 -0.255 0.000 1.280 289 A HN 0.857 nan 8.150 nan 0.000 0.398 290 D N 1.094 121.236 120.400 -0.431 0.000 2.620 290 D HA 0.701 5.340 4.640 -0.001 0.000 0.252 290 D C -1.440 174.655 176.300 -0.343 0.000 1.207 290 D CA 0.048 53.907 54.000 -0.236 0.000 0.884 290 D CB 0.663 41.389 40.800 -0.123 0.000 1.262 290 D HN 0.237 nan 8.370 nan 0.000 0.552 291 F N 1.812 121.777 119.950 0.025 0.000 2.561 291 F HA 0.679 5.206 4.527 -0.001 0.000 0.321 291 F C -0.087 175.695 175.800 -0.031 0.000 1.065 291 F CA -1.009 57.017 58.000 0.044 0.000 0.934 291 F CB 2.161 41.152 39.000 -0.014 0.000 1.215 291 F HN -0.016 nan 8.300 nan 0.000 0.471 292 V N 1.310 121.379 119.914 0.257 0.000 2.623 292 V HA 0.360 4.479 4.120 -0.001 0.000 0.304 292 V C -1.065 175.210 176.094 0.301 0.000 1.054 292 V CA -0.763 61.644 62.300 0.178 0.000 0.882 292 V CB 1.969 33.904 31.823 0.188 0.000 1.002 292 V HN 0.758 nan 8.190 nan 0.000 0.424 293 H N 4.941 124.142 119.070 0.219 0.000 2.489 293 H HA 0.694 5.250 4.556 -0.001 0.000 0.343 293 H C -0.981 174.421 175.328 0.123 0.000 1.086 293 H CA -0.818 55.358 56.048 0.213 0.000 1.198 293 H CB 1.867 31.775 29.762 0.245 0.000 1.490 293 H HN 0.412 nan 8.280 nan 0.000 0.504 294 L N 2.504 123.812 121.223 0.142 0.000 2.341 294 L HA 0.734 5.074 4.340 -0.001 0.000 0.278 294 L C -0.412 176.282 176.870 -0.293 0.000 1.005 294 L CA -0.894 53.939 54.840 -0.012 0.000 0.818 294 L CB 1.807 43.855 42.059 -0.018 0.000 1.259 294 L HN 0.590 nan 8.230 nan 0.000 0.418 295 A N 2.858 125.455 122.820 -0.371 0.000 2.374 295 A HA 0.599 4.918 4.320 -0.001 0.000 0.305 295 A C -0.836 176.613 177.584 -0.225 0.000 1.053 295 A CA -0.681 50.973 52.037 -0.639 0.000 0.726 295 A CB 1.732 20.142 19.000 -0.982 0.000 1.229 295 A HN 0.694 nan 8.150 nan 0.000 0.431 296 R N 2.462 122.882 120.500 -0.133 0.000 2.248 296 R HA 0.257 4.597 4.340 -0.001 0.000 0.337 296 R C -0.189 176.139 176.300 0.047 0.000 1.106 296 R CA -0.114 55.960 56.100 -0.043 0.000 0.959 296 R CB 0.159 30.421 30.300 -0.063 0.000 1.075 296 R HN 0.865 nan 8.270 nan 0.000 0.480 297 C N 2.190 121.561 119.300 0.119 0.000 2.673 297 C HA 0.308 4.768 4.460 -0.001 0.000 0.264 297 C C 1.209 176.241 174.990 0.071 0.000 1.304 297 C CA 0.389 59.508 59.018 0.168 0.000 1.727 297 C CB -0.973 26.928 27.740 0.268 0.000 1.932 297 C HN 1.020 nan 8.230 nan 0.000 0.563 298 G N 0.548 109.400 108.800 0.086 0.000 2.655 298 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.680 298 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.680 298 G C 0.170 175.236 174.900 0.275 0.000 1.302 298 G CA -0.038 45.129 45.100 0.112 0.000 0.872 298 G HN 0.550 nan 8.290 nan 0.000 0.540 299 W N 0.170 121.516 121.300 0.077 0.000 2.800 299 W HA 0.441 5.100 4.660 -0.001 0.000 0.249 299 W C 0.671 177.346 176.519 0.261 0.000 1.294 299 W CA 1.046 58.496 57.345 0.175 0.000 1.402 299 W CB -1.093 28.511 29.460 0.240 0.000 1.126 299 W HN 1.423 nan 8.180 nan 0.000 0.652 300 S N -0.601 114.801 115.700 -0.497 0.000 2.595 300 S HA 0.654 5.124 4.470 -0.001 0.000 0.281 300 S C 0.734 174.978 174.600 -0.593 0.000 1.117 300 S CA -0.006 57.889 58.200 -0.507 0.000 0.873 300 S CB 1.730 64.265 63.200 -1.108 0.000 1.108 300 S HN 0.114 nan 8.310 nan 0.000 0.477 301 A N 1.901 124.219 122.820 -0.836 0.000 1.969 301 A HA 0.065 4.385 4.320 -0.001 0.000 0.218 301 A C 1.343 178.627 177.584 -0.500 0.000 1.169 301 A CA 1.723 53.094 52.037 -1.109 0.000 0.635 301 A CB -1.420 16.994 19.000 -0.976 0.000 0.810 301 A HN 1.175 nan 8.150 nan 0.000 0.445 302 D N -1.256 118.945 120.400 -0.332 0.000 3.910 302 D HA -0.265 4.375 4.640 -0.001 0.000 0.153 302 D C 0.421 176.672 176.300 -0.083 0.000 0.802 302 D CA 2.249 56.152 54.000 -0.162 0.000 1.009 302 D CB -1.127 39.602 40.800 -0.118 0.000 0.453 302 D HN 0.302 nan 8.370 nan 0.000 0.422 303 L N 0.898 122.121 121.223 -0.000 0.000 2.818 303 L HA 0.163 4.503 4.340 -0.001 0.000 0.243 303 L C 2.195 179.052 176.870 -0.022 0.000 1.185 303 L CA -0.100 54.773 54.840 0.056 0.000 0.988 303 L CB 0.409 42.581 42.059 0.188 0.000 1.292 303 L HN 0.115 nan 8.230 nan 0.000 0.519 304 S N 0.727 116.392 115.700 -0.058 0.000 2.387 304 S HA -0.250 4.219 4.470 -0.001 0.000 0.230 304 S C 1.879 176.376 174.600 -0.172 0.000 1.035 304 S CA 1.606 59.720 58.200 -0.143 0.000 1.014 304 S CB -0.174 62.964 63.200 -0.104 0.000 0.836 304 S HN 0.468 nan 8.310 nan 0.000 0.466 305 L N 2.176 123.343 121.223 -0.093 0.000 1.994 305 L HA -0.072 4.268 4.340 -0.001 0.000 0.208 305 L C -0.903 175.990 176.870 0.039 0.000 1.071 305 L CA 1.572 56.399 54.840 -0.021 0.000 0.745 305 L CB -1.060 41.007 42.059 0.013 0.000 0.892 305 L HN 0.220 nan 8.230 nan 0.000 0.431 306 P HA -0.095 nan 4.420 nan 0.000 0.216 306 P C 2.001 179.355 177.300 0.089 0.000 1.153 306 P CA 1.283 64.546 63.100 0.271 0.000 0.844 306 P CB -0.075 31.950 31.700 0.542 0.000 0.787 307 V N 0.517 120.195 119.914 -0.393 0.000 2.250 307 V HA -0.320 3.800 4.120 -0.001 0.000 0.250 307 V C 2.804 178.757 176.094 -0.235 0.000 1.060 307 V CA 2.422 64.328 62.300 -0.658 0.000 1.030 307 V CB -1.698 29.651 31.823 -0.791 0.000 0.643 307 V HN 0.175 nan 8.190 nan 0.000 0.445 308 C N -0.236 118.962 119.300 -0.170 0.000 2.446 308 C HA -0.134 4.326 4.460 -0.001 0.000 0.277 308 C C 2.535 177.553 174.990 0.047 0.000 1.275 308 C CA 0.716 59.727 59.018 -0.013 0.000 1.727 308 C CB -1.176 26.534 27.740 -0.049 0.000 2.010 308 C HN 0.603 nan 8.230 nan 0.000 0.486 309 D N 0.319 120.762 120.400 0.071 0.000 2.172 309 D HA -0.174 4.465 4.640 -0.001 0.000 0.196 309 D C 2.263 178.684 176.300 0.203 0.000 0.999 309 D CA 1.191 55.295 54.000 0.174 0.000 0.856 309 D CB -0.502 40.504 40.800 0.343 0.000 0.934 309 D HN 0.499 nan 8.370 nan 0.000 0.453 310 R N 0.233 120.848 120.500 0.193 0.000 2.115 310 R HA -0.030 4.310 4.340 -0.001 0.000 0.230 310 R C 2.091 178.549 176.300 0.263 0.000 1.111 310 R CA 1.165 57.414 56.100 0.248 0.000 0.976 310 R CB -0.043 30.459 30.300 0.338 0.000 0.870 310 R HN 0.119 nan 8.270 nan 0.000 0.445 311 A N 0.820 123.731 122.820 0.153 0.000 1.898 311 A HA -0.162 4.157 4.320 -0.001 0.000 0.216 311 A C 2.169 179.903 177.584 0.250 0.000 1.181 311 A CA 1.407 53.514 52.037 0.117 0.000 0.620 311 A CB -0.385 18.602 19.000 -0.021 0.000 0.819 311 A HN 0.291 nan 8.150 nan 0.000 0.442 312 M N -0.993 118.732 119.600 0.208 0.000 2.117 312 M HA -0.132 4.347 4.480 -0.001 0.000 0.262 312 M C 1.904 178.451 176.300 0.411 0.000 1.065 312 M CA 1.123 56.523 55.300 0.166 0.000 1.114 312 M CB -0.567 31.828 32.600 -0.341 0.000 1.361 312 M HN 0.286 nan 8.290 nan 0.000 0.408 313 L N -0.445 120.977 121.223 0.332 0.000 2.127 313 L HA -0.190 4.150 4.340 -0.001 0.000 0.211 313 L C 1.767 178.715 176.870 0.129 0.000 1.089 313 L CA 2.023 56.949 54.840 0.143 0.000 0.757 313 L CB -1.342 40.598 42.059 -0.197 0.000 0.899 313 L HN 0.350 nan 8.230 nan 0.000 0.434 314 H N -2.043 117.183 119.070 0.260 0.000 2.529 314 H HA 0.300 4.856 4.556 -0.001 0.000 0.277 314 H C 1.885 177.318 175.328 0.175 0.000 1.004 314 H CA 0.517 56.689 56.048 0.207 0.000 1.167 314 H CB 0.204 30.005 29.762 0.064 0.000 1.445 314 H HN 0.227 nan 8.280 nan 0.000 0.554 315 A N 0.997 123.952 122.820 0.226 0.000 2.225 315 A HA -0.167 4.153 4.320 -0.001 0.000 0.215 315 A C 1.500 179.080 177.584 -0.007 0.000 1.164 315 A CA 1.543 53.531 52.037 -0.083 0.000 0.710 315 A CB -0.188 18.639 19.000 -0.289 0.000 0.780 315 A HN 0.545 nan 8.150 nan 0.000 0.473 316 D N -1.549 118.977 120.400 0.211 0.000 2.348 316 D HA 0.253 4.893 4.640 -0.001 0.000 0.211 316 D C 1.282 177.763 176.300 0.301 0.000 0.998 316 D CA 0.903 55.061 54.000 0.264 0.000 0.873 316 D CB -0.820 40.220 40.800 0.399 0.000 0.925 316 D HN 0.577 nan 8.370 nan 0.000 0.524 317 G N 1.028 109.981 108.800 0.254 0.000 2.634 317 G HA2 -0.337 3.623 3.960 -0.001 0.000 0.309 317 G HA3 -0.337 3.623 3.960 -0.001 0.000 0.309 317 G C 0.634 175.551 174.900 0.029 0.000 1.265 317 G CA 0.822 46.030 45.100 0.181 0.000 0.998 317 G HN 0.357 nan 8.290 nan 0.000 0.551 318 S N 0.774 116.227 115.700 -0.413 0.000 2.614 318 S HA 0.467 4.936 4.470 -0.001 0.000 0.230 318 S C -0.407 173.943 174.600 -0.418 0.000 0.952 318 S CA 0.219 58.188 58.200 -0.386 0.000 0.949 318 S CB -0.033 62.902 63.200 -0.442 0.000 0.786 318 S HN 0.460 nan 8.310 nan 0.000 0.478 319 Y N 0.111 120.482 120.300 0.118 0.000 2.468 319 Y HA 0.563 5.113 4.550 -0.001 0.000 0.342 319 Y C -0.294 175.298 175.900 -0.514 0.000 1.021 319 Y CA -1.900 56.131 58.100 -0.115 0.000 1.079 319 Y CB 0.631 39.082 38.460 -0.014 0.000 1.226 319 Y HN 0.140 nan 8.280 nan 0.000 0.460 320 F N 2.777 122.326 119.950 -0.668 0.000 2.427 320 F HA 0.597 5.124 4.527 -0.001 0.000 0.352 320 F C -0.951 174.765 175.800 -0.140 0.000 1.100 320 F CA -0.824 56.828 58.000 -0.579 0.000 1.191 320 F CB 0.474 39.266 39.000 -0.346 0.000 1.128 320 F HN 0.180 nan 8.300 nan 0.000 0.533 321 V N 8.839 128.220 119.914 -0.887 0.000 2.524 321 V HA 0.244 4.364 4.120 -0.001 0.000 0.297 321 V C -1.909 173.719 176.094 -0.777 0.000 1.035 321 V CA -1.160 60.745 62.300 -0.657 0.000 0.867 321 V CB 1.673 33.353 31.823 -0.238 0.000 1.004 321 V HN 0.661 nan 8.190 nan 0.000 0.426 322 P HA 0.062 nan 4.420 nan 0.000 0.219 322 P C 0.248 177.450 177.300 -0.163 0.000 1.150 322 P CA 0.985 63.847 63.100 -0.398 0.000 0.814 322 P CB 0.440 32.050 31.700 -0.150 0.000 0.787 323 A N -0.558 122.183 122.820 -0.131 0.000 2.398 323 A HA 0.735 5.055 4.320 -0.001 0.000 0.301 323 A C -1.481 176.080 177.584 -0.039 0.000 1.041 323 A CA -0.556 51.453 52.037 -0.048 0.000 0.711 323 A CB 0.816 19.799 19.000 -0.029 0.000 1.240 323 A HN 0.109 nan 8.150 nan 0.000 0.420 324 L N 1.659 122.891 121.223 0.016 0.000 2.513 324 L HA 0.744 5.084 4.340 -0.001 0.000 0.261 324 L C -0.802 176.121 176.870 0.089 0.000 0.945 324 L CA -0.432 54.428 54.840 0.033 0.000 0.848 324 L CB 1.922 43.993 42.059 0.020 0.000 1.334 324 L HN 0.874 nan 8.230 nan 0.000 0.407 325 R N 4.613 125.166 120.500 0.089 0.000 2.628 325 R HA 0.784 5.124 4.340 -0.001 0.000 0.288 325 R C -1.819 174.555 176.300 0.124 0.000 0.980 325 R CA -0.520 55.649 56.100 0.115 0.000 0.891 325 R CB 1.689 32.029 30.300 0.067 0.000 1.188 325 R HN 0.649 nan 8.270 nan 0.000 0.450 326 I N 2.179 122.809 120.570 0.099 0.000 2.582 326 I HA 0.346 4.516 4.170 -0.001 0.000 0.292 326 I C -0.780 175.275 176.117 -0.103 0.000 1.066 326 I CA -0.712 60.574 61.300 -0.023 0.000 1.053 326 I CB 2.281 40.213 38.000 -0.113 0.000 1.241 326 I HN 0.594 nan 8.210 nan 0.000 0.421 327 E N 4.490 124.612 120.200 -0.130 0.000 2.220 327 E HA 0.406 4.756 4.350 -0.001 0.000 0.256 327 E C -1.556 174.914 176.600 -0.217 0.000 0.881 327 E CA -0.343 55.959 56.400 -0.164 0.000 0.766 327 E CB 1.800 31.460 29.700 -0.066 0.000 1.187 327 E HN 0.561 nan 8.360 nan 0.000 0.419 328 S N 4.584 120.096 115.700 -0.314 0.000 2.456 328 S HA 0.359 4.829 4.470 -0.001 0.000 0.316 328 S C -1.129 173.307 174.600 -0.273 0.000 1.089 328 S CA -0.642 57.438 58.200 -0.199 0.000 1.101 328 S CB 0.611 63.709 63.200 -0.170 0.000 0.995 328 S HN 0.561 nan 8.310 nan 0.000 0.468 329 H N 4.821 123.877 119.070 -0.022 0.000 2.481 329 H HA 0.425 4.981 4.556 -0.001 0.000 0.333 329 H C -0.291 175.007 175.328 -0.051 0.000 1.066 329 H CA -0.862 55.168 56.048 -0.031 0.000 1.209 329 H CB 1.113 30.859 29.762 -0.027 0.000 1.445 329 H HN 0.522 nan 8.280 nan 0.000 0.488 330 R N 4.041 124.592 120.500 0.086 0.000 2.246 330 R HA 0.359 4.699 4.340 -0.001 0.000 0.332 330 R C -0.479 175.908 176.300 0.146 0.000 0.974 330 R CA -0.700 55.451 56.100 0.084 0.000 0.837 330 R CB 0.819 31.182 30.300 0.106 0.000 1.145 330 R HN 0.453 nan 8.270 nan 0.000 0.467 331 L N 2.994 124.270 121.223 0.090 0.000 2.282 331 L HA 0.501 4.840 4.340 -0.001 0.000 0.288 331 L C 0.758 177.652 176.870 0.040 0.000 1.033 331 L CA -0.739 54.117 54.840 0.027 0.000 0.807 331 L CB 1.386 43.431 42.059 -0.024 0.000 1.209 331 L HN 0.375 nan 8.230 nan 0.000 0.423 332 R N 2.161 122.587 120.500 -0.124 0.000 2.357 332 R HA 0.562 4.902 4.340 -0.001 0.000 0.296 332 R C -0.496 175.770 176.300 -0.056 0.000 1.052 332 R CA -0.093 55.922 56.100 -0.142 0.000 0.988 332 R CB 1.113 31.052 30.300 -0.602 0.000 1.025 332 R HN 0.824 nan 8.270 nan 0.000 0.469 333 T N 0.105 114.673 114.554 0.023 0.000 2.812 333 T HA 0.286 4.636 4.350 -0.001 0.000 0.294 333 T C -0.524 174.219 174.700 0.071 0.000 1.159 333 T CA -1.091 61.006 62.100 -0.005 0.000 1.008 333 T CB 1.245 70.064 68.868 -0.083 0.000 1.289 333 T HN 0.564 nan 8.240 nan 0.000 0.514 334 N N 1.492 120.214 118.700 0.037 0.000 3.324 334 N HA 0.429 5.168 4.740 -0.001 0.000 0.302 334 N C -0.227 175.312 175.510 0.049 0.000 1.360 334 N CA -0.334 52.786 53.050 0.116 0.000 1.190 334 N CB 0.359 38.893 38.487 0.078 0.000 1.462 334 N HN 0.835 nan 8.380 nan 0.000 0.532 335 T N -3.349 111.203 114.554 -0.003 0.000 2.716 335 T HA 0.397 4.747 4.350 -0.001 0.000 0.286 335 T C -0.192 174.374 174.700 -0.224 0.000 1.052 335 T CA -1.005 60.999 62.100 -0.160 0.000 1.024 335 T CB 0.755 69.362 68.868 -0.435 0.000 1.349 335 T HN -0.143 nan 8.240 nan 0.000 0.525 336 Q N 1.554 121.182 119.800 -0.287 0.000 2.333 336 Q HA 0.333 4.673 4.340 -0.001 0.000 0.299 336 Q C 0.258 176.200 176.000 -0.096 0.000 1.067 336 Q CA 0.253 55.830 55.803 -0.377 0.000 0.943 336 Q CB 0.376 29.046 28.738 -0.114 0.000 1.233 336 Q HN 0.703 nan 8.270 nan 0.000 0.401 337 S N 3.645 119.347 115.700 0.005 0.000 2.437 337 S HA 0.106 4.576 4.470 -0.001 0.000 0.304 337 S C 0.022 174.562 174.600 -0.100 0.000 1.167 337 S CA -0.763 57.402 58.200 -0.058 0.000 1.106 337 S CB -0.168 62.911 63.200 -0.201 0.000 1.099 337 S HN 0.487 nan 8.310 nan 0.000 0.524 338 N N 2.911 121.493 118.700 -0.196 0.000 2.231 338 N HA 0.257 4.997 4.740 -0.001 0.000 0.223 338 N C 0.503 175.880 175.510 -0.222 0.000 1.329 338 N CA 0.206 53.035 53.050 -0.367 0.000 0.889 338 N CB 0.658 38.620 38.487 -0.876 0.000 1.125 338 N HN 0.761 nan 8.380 nan 0.000 0.447 339 T N -2.236 112.255 114.554 -0.104 0.000 2.663 339 T HA 0.565 4.915 4.350 -0.001 0.000 0.297 339 T C -1.608 173.250 174.700 0.265 0.000 1.505 339 T CA -0.307 61.890 62.100 0.162 0.000 1.024 339 T CB -0.207 68.754 68.868 0.155 0.000 1.865 339 T HN 0.502 nan 8.240 nan 0.000 0.453 340 A N 0.854 123.850 122.820 0.293 0.000 2.371 340 A HA 0.716 5.036 4.320 -0.001 0.000 0.257 340 A C -0.900 176.965 177.584 0.470 0.000 1.089 340 A CA -0.200 52.059 52.037 0.369 0.000 0.794 340 A CB -0.413 18.887 19.000 0.500 0.000 1.029 340 A HN 0.760 nan 8.150 nan 0.000 0.488 341 F N 1.145 121.231 119.950 0.227 0.000 2.651 341 F HA 0.402 4.929 4.527 -0.001 0.000 0.329 341 F C 0.397 176.135 175.800 -0.103 0.000 1.186 341 F CA -0.831 57.238 58.000 0.114 0.000 1.046 341 F CB 1.311 40.228 39.000 -0.139 0.000 1.296 341 F HN 0.789 nan 8.300 nan 0.000 0.497 342 R N 3.982 124.597 120.500 0.192 0.000 4.509 342 R HA 0.017 4.357 4.340 -0.001 0.000 0.132 342 R C 0.860 176.938 176.300 -0.370 0.000 0.287 342 R CA 2.008 58.082 56.100 -0.043 0.000 0.855 342 R CB -0.748 29.541 30.300 -0.019 0.000 1.022 342 R HN 1.131 nan 8.270 nan 0.000 0.241 343 G N 3.262 111.969 108.800 -0.155 0.000 3.033 343 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.196 343 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.196 343 G C 0.155 175.163 174.900 0.181 0.000 1.078 343 G CA -0.199 44.818 45.100 -0.138 0.000 0.805 343 G HN 0.707 nan 8.290 nan 0.000 0.472 344 F N 1.287 121.202 119.950 -0.057 0.000 2.866 344 F HA 0.064 4.590 4.527 -0.001 0.000 0.254 344 F C 1.793 177.590 175.800 -0.005 0.000 1.009 344 F CA 2.582 60.593 58.000 0.018 0.000 0.907 344 F CB -0.953 38.080 39.000 0.054 0.000 0.859 344 F HN 2.024 nan 8.300 nan 0.000 0.842 345 G N -0.253 108.460 108.800 -0.145 0.000 2.320 345 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.242 345 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.242 345 G C 1.593 176.402 174.900 -0.152 0.000 1.033 345 G CA 0.802 45.795 45.100 -0.178 0.000 0.620 345 G HN 1.555 nan 8.290 nan 0.000 0.517 346 G N 1.961 110.703 108.800 -0.096 0.000 2.514 346 G HA2 -0.002 3.957 3.960 -0.001 0.000 0.217 346 G HA3 -0.002 3.957 3.960 -0.001 0.000 0.217 346 G C 0.156 174.965 174.900 -0.152 0.000 1.198 346 G CA 2.154 47.088 45.100 -0.276 0.000 0.780 346 G HN 0.560 nan 8.290 nan 0.000 0.565 347 P HA -0.099 nan 4.420 nan 0.000 0.215 347 P C 1.787 179.124 177.300 0.062 0.000 1.157 347 P CA 1.481 64.629 63.100 0.081 0.000 0.868 347 P CB -0.053 31.690 31.700 0.073 0.000 0.788 348 Q N -0.324 119.389 119.800 -0.146 0.000 1.985 348 Q HA -0.122 4.217 4.340 -0.001 0.000 0.207 348 Q C 2.535 178.296 176.000 -0.398 0.000 0.996 348 Q CA 2.275 57.825 55.803 -0.422 0.000 0.851 348 Q CB -1.955 25.980 28.738 -1.337 0.000 0.921 348 Q HN 0.236 nan 8.270 nan 0.000 0.418 349 G N 0.098 108.659 108.800 -0.399 0.000 2.503 349 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.221 349 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.221 349 G C 1.445 176.308 174.900 -0.061 0.000 1.131 349 G CA 1.270 46.257 45.100 -0.188 0.000 0.756 349 G HN 0.471 nan 8.290 nan 0.000 0.572 350 A N -0.127 122.694 122.820 0.001 0.000 1.930 350 A HA 0.272 4.592 4.320 -0.001 0.000 0.215 350 A C 2.283 179.922 177.584 0.092 0.000 1.176 350 A CA 1.371 53.456 52.037 0.081 0.000 0.632 350 A CB -0.314 18.748 19.000 0.103 0.000 0.819 350 A HN 0.379 nan 8.150 nan 0.000 0.445 351 L N 0.540 121.808 121.223 0.076 0.000 2.046 351 L HA -0.028 4.312 4.340 -0.001 0.000 0.208 351 L C 2.389 179.368 176.870 0.181 0.000 1.077 351 L CA 2.205 57.103 54.840 0.096 0.000 0.747 351 L CB -1.378 40.692 42.059 0.019 0.000 0.896 351 L HN 0.337 nan 8.230 nan 0.000 0.432 352 G N -0.192 108.700 108.800 0.153 0.000 2.624 352 G HA2 -0.457 3.502 3.960 -0.001 0.000 0.221 352 G HA3 -0.457 3.502 3.960 -0.001 0.000 0.221 352 G C 1.615 176.638 174.900 0.205 0.000 1.169 352 G CA 1.658 46.900 45.100 0.237 0.000 0.771 352 G HN 0.496 nan 8.290 nan 0.000 0.598 353 M N -0.195 119.468 119.600 0.105 0.000 2.388 353 M HA 0.199 4.679 4.480 -0.001 0.000 0.265 353 M C 2.187 178.593 176.300 0.177 0.000 1.088 353 M CA 1.257 56.694 55.300 0.228 0.000 1.134 353 M CB 0.029 32.796 32.600 0.278 0.000 1.384 353 M HN 0.086 nan 8.290 nan 0.000 0.447 354 E N 0.506 120.812 120.200 0.177 0.000 2.051 354 E HA -0.164 4.186 4.350 -0.001 0.000 0.192 354 E C 2.171 178.781 176.600 0.017 0.000 0.991 354 E CA 0.929 57.416 56.400 0.145 0.000 0.799 354 E CB -0.496 29.306 29.700 0.170 0.000 0.748 354 E HN 0.472 nan 8.360 nan 0.000 0.449 355 R N 0.599 121.071 120.500 -0.048 0.000 2.094 355 R HA -0.112 4.227 4.340 -0.001 0.000 0.239 355 R C 2.242 178.352 176.300 -0.317 0.000 1.137 355 R CA 1.385 57.347 56.100 -0.230 0.000 0.943 355 R CB -0.787 29.179 30.300 -0.557 0.000 0.850 355 R HN 0.182 nan 8.270 nan 0.000 0.433 356 A N 1.181 123.729 122.820 -0.452 0.000 1.859 356 A HA -0.210 4.109 4.320 -0.001 0.000 0.217 356 A C 2.324 179.749 177.584 -0.264 0.000 1.198 356 A CA 1.764 53.418 52.037 -0.639 0.000 0.629 356 A CB -0.835 17.935 19.000 -0.382 0.000 0.830 356 A HN 0.394 nan 8.150 nan 0.000 0.446 357 I N -0.782 119.683 120.570 -0.174 0.000 2.335 357 I HA -0.260 3.909 4.170 -0.001 0.000 0.251 357 I C 2.382 178.433 176.117 -0.110 0.000 1.129 357 I CA 2.114 63.309 61.300 -0.175 0.000 1.402 357 I CB -0.094 37.736 38.000 -0.283 0.000 1.069 357 I HN 0.559 nan 8.210 nan 0.000 0.424 358 E N 0.086 120.242 120.200 -0.072 0.000 2.047 358 E HA -0.318 4.032 4.350 -0.001 0.000 0.191 358 E C 2.228 178.852 176.600 0.039 0.000 0.987 358 E CA 1.540 57.932 56.400 -0.013 0.000 0.799 358 E CB -0.238 29.424 29.700 -0.062 0.000 0.752 358 E HN 0.499 nan 8.360 nan 0.000 0.449 359 H N 0.219 119.186 119.070 -0.172 0.000 2.290 359 H HA -0.149 4.406 4.556 -0.001 0.000 0.298 359 H C 2.093 177.273 175.328 -0.246 0.000 1.087 359 H CA 1.795 57.609 56.048 -0.390 0.000 1.291 359 H CB -0.760 28.734 29.762 -0.446 0.000 1.369 359 H HN 0.298 nan 8.280 nan 0.000 0.492 360 L N 0.540 121.709 121.223 -0.091 0.000 2.081 360 L HA -0.165 4.175 4.340 -0.001 0.000 0.212 360 L C 2.513 179.327 176.870 -0.092 0.000 1.080 360 L CA 2.144 56.905 54.840 -0.132 0.000 0.754 360 L CB -0.998 40.977 42.059 -0.138 0.000 0.893 360 L HN 0.346 nan 8.230 nan 0.000 0.433 361 A N -0.730 122.057 122.820 -0.056 0.000 1.873 361 A HA -0.147 4.173 4.320 -0.001 0.000 0.215 361 A C 2.267 179.856 177.584 0.008 0.000 1.186 361 A CA 1.304 53.318 52.037 -0.038 0.000 0.616 361 A CB -0.482 18.509 19.000 -0.016 0.000 0.823 361 A HN 0.405 nan 8.150 nan 0.000 0.442 362 R N -0.309 120.240 120.500 0.081 0.000 2.103 362 R HA -0.148 4.192 4.340 -0.001 0.000 0.242 362 R C 2.295 178.641 176.300 0.076 0.000 1.142 362 R CA 1.427 57.604 56.100 0.128 0.000 0.960 362 R CB -1.726 28.737 30.300 0.272 0.000 0.858 362 R HN 0.537 nan 8.270 nan 0.000 0.439 363 G N 1.696 110.517 108.800 0.035 0.000 2.450 363 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.220 363 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.220 363 G C 1.365 176.272 174.900 0.012 0.000 1.130 363 G CA 1.017 46.121 45.100 0.006 0.000 0.760 363 G HN 0.463 nan 8.290 nan 0.000 0.557 364 M N -0.665 118.910 119.600 -0.042 0.000 2.475 364 M HA 0.492 4.972 4.480 -0.001 0.000 0.261 364 M C 1.238 177.502 176.300 -0.060 0.000 1.177 364 M CA 0.219 55.465 55.300 -0.091 0.000 0.979 364 M CB 0.283 32.645 32.600 -0.396 0.000 1.482 364 M HN 0.133 nan 8.290 nan 0.000 0.484 365 G N 2.339 111.131 108.800 -0.014 0.000 2.379 365 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.297 365 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.297 365 G C -0.102 174.787 174.900 -0.018 0.000 1.004 365 G CA 0.367 45.467 45.100 0.000 0.000 0.921 365 G HN 0.653 nan 8.290 nan 0.000 0.511 366 R N -0.455 120.024 120.500 -0.035 0.000 2.668 366 R HA 0.357 4.696 4.340 -0.001 0.000 0.279 366 R C -0.429 175.864 176.300 -0.012 0.000 0.976 366 R CA -0.839 55.237 56.100 -0.040 0.000 0.978 366 R CB 0.786 31.038 30.300 -0.079 0.000 1.133 366 R HN 0.236 nan 8.270 nan 0.000 0.484 367 D N 3.120 123.516 120.400 -0.006 0.000 2.401 367 D HA 0.045 4.685 4.640 -0.001 0.000 0.254 367 D C -1.636 174.681 176.300 0.027 0.000 1.192 367 D CA -1.773 52.238 54.000 0.018 0.000 0.885 367 D CB 1.306 42.116 40.800 0.017 0.000 1.147 367 D HN 0.154 nan 8.370 nan 0.000 0.478 368 P HA -0.231 nan 4.420 nan 0.000 0.215 368 P C 1.114 178.445 177.300 0.052 0.000 1.163 368 P CA 2.262 65.391 63.100 0.048 0.000 0.894 368 P CB -0.033 31.723 31.700 0.093 0.000 0.791 369 A N 0.060 122.951 122.820 0.118 0.000 1.884 369 A HA -0.279 4.040 4.320 -0.001 0.000 0.219 369 A C 2.227 179.846 177.584 0.059 0.000 1.197 369 A CA 2.089 54.211 52.037 0.143 0.000 0.637 369 A CB -1.257 17.915 19.000 0.287 0.000 0.827 369 A HN 0.127 nan 8.150 nan 0.000 0.450 370 E N -0.666 119.557 120.200 0.038 0.000 2.072 370 E HA -0.146 4.204 4.350 -0.001 0.000 0.191 370 E C 2.001 178.559 176.600 -0.070 0.000 0.985 370 E CA 1.036 57.431 56.400 -0.008 0.000 0.801 370 E CB -0.713 28.986 29.700 -0.003 0.000 0.750 370 E HN 0.486 nan 8.360 nan 0.000 0.452 371 L N 1.624 122.802 121.223 -0.075 0.000 1.990 371 L HA -0.222 4.118 4.340 -0.001 0.000 0.213 371 L C 2.342 179.096 176.870 -0.193 0.000 1.072 371 L CA 1.827 56.591 54.840 -0.126 0.000 0.755 371 L CB -0.327 41.657 42.059 -0.125 0.000 0.889 371 L HN 0.000 nan 8.230 nan 0.000 0.432 372 R N -0.811 119.576 120.500 -0.188 0.000 2.096 372 R HA -0.195 4.144 4.340 -0.001 0.000 0.229 372 R C 2.202 178.122 176.300 -0.634 0.000 1.134 372 R CA 1.556 57.503 56.100 -0.255 0.000 0.917 372 R CB -1.101 29.197 30.300 -0.003 0.000 0.832 372 R HN 0.514 nan 8.270 nan 0.000 0.430 373 A N 1.467 123.949 122.820 -0.563 0.000 1.969 373 A HA -0.251 4.069 4.320 -0.001 0.000 0.223 373 A C 2.134 179.441 177.584 -0.461 0.000 1.218 373 A CA 1.884 53.561 52.037 -0.600 0.000 0.667 373 A CB -0.740 18.191 19.000 -0.115 0.000 0.826 373 A HN 0.305 nan 8.150 nan 0.000 0.472 374 L N -0.558 120.506 121.223 -0.265 0.000 2.275 374 L HA -0.035 4.304 4.340 -0.001 0.000 0.215 374 L C 1.122 177.931 176.870 -0.102 0.000 1.119 374 L CA 1.659 56.419 54.840 -0.134 0.000 0.790 374 L CB -0.258 41.743 42.059 -0.096 0.000 0.919 374 L HN 0.400 nan 8.230 nan 0.000 0.443 375 N N -1.550 117.055 118.700 -0.159 0.000 2.235 375 N HA 0.133 4.872 4.740 -0.001 0.000 0.231 375 N C -0.235 175.385 175.510 0.183 0.000 1.177 375 N CA -0.090 52.965 53.050 0.009 0.000 0.874 375 N CB 0.310 38.771 38.487 -0.043 0.000 1.097 375 N HN 0.198 nan 8.380 nan 0.000 0.518 376 F N 0.653 120.726 119.950 0.205 0.000 2.496 376 F HA 0.093 4.620 4.527 -0.001 0.000 0.344 376 F C 1.017 176.873 175.800 0.094 0.000 1.155 376 F CA -0.775 57.301 58.000 0.126 0.000 1.302 376 F CB 0.383 39.432 39.000 0.082 0.000 1.159 376 F HN 0.003 nan 8.300 nan 0.000 0.595 377 Y N 0.956 121.441 120.300 0.307 0.000 2.652 377 Y HA -0.093 4.457 4.550 -0.001 0.000 0.344 377 Y C 0.768 176.729 175.900 0.101 0.000 1.254 377 Y CA -0.205 57.999 58.100 0.173 0.000 1.480 377 Y CB -0.005 38.516 38.460 0.102 0.000 1.345 377 Y HN 0.418 nan 8.280 nan 0.000 0.617 378 D N 3.133 123.653 120.400 0.200 0.000 2.423 378 D HA 0.085 4.724 4.640 -0.001 0.000 0.238 378 D C -2.142 174.199 176.300 0.069 0.000 1.142 378 D CA -0.956 53.101 54.000 0.094 0.000 0.884 378 D CB 0.421 41.234 40.800 0.022 0.000 1.199 378 D HN 0.254 nan 8.370 nan 0.000 0.438 379 P HA 0.157 nan 4.420 nan 0.000 0.271 379 P C -2.432 174.876 177.300 0.013 0.000 1.233 379 P CA -0.810 62.296 63.100 0.009 0.000 0.789 379 P CB -0.231 31.480 31.700 0.019 0.000 0.951 380 P HA 0.310 nan 4.420 nan 0.000 0.279 380 P C -0.594 176.719 177.300 0.021 0.000 1.252 380 P CA 0.055 63.167 63.100 0.020 0.000 0.811 380 P CB 0.260 31.978 31.700 0.029 0.000 1.035 399 K N 0.751 121.152 120.400 0.003 0.000 6.011 399 K HA -0.189 4.130 4.320 -0.001 0.000 0.669 399 K C -1.407 175.186 176.600 -0.011 0.000 2.113 399 K CA 1.285 57.572 56.287 0.001 0.000 1.547 399 K CB -1.744 30.757 32.500 0.002 0.000 1.839 399 K HN 0.636 nan 8.250 nan 0.000 0.287 400 T N 4.049 118.600 114.554 -0.005 0.000 2.929 400 T HA 0.261 4.611 4.350 -0.001 0.000 0.284 400 T C 0.340 175.029 174.700 -0.018 0.000 1.014 400 T CA -0.746 61.347 62.100 -0.012 0.000 1.051 400 T CB 1.194 70.066 68.868 0.006 0.000 1.028 400 T HN 0.494 nan 8.240 nan 0.000 0.485 401 Q N 1.101 120.877 119.800 -0.041 0.000 2.454 401 Q HA 0.429 4.769 4.340 -0.001 0.000 0.247 401 Q C 0.548 176.605 176.000 0.096 0.000 1.028 401 Q CA -0.310 55.472 55.803 -0.034 0.000 0.910 401 Q CB 0.558 29.221 28.738 -0.125 0.000 1.276 401 Q HN 0.813 nan 8.270 nan 0.000 0.489 402 T N -2.803 111.886 114.554 0.225 0.000 2.910 402 T HA 0.573 4.923 4.350 -0.001 0.000 0.287 402 T C 0.188 175.032 174.700 0.241 0.000 1.050 402 T CA -0.763 61.424 62.100 0.145 0.000 1.011 402 T CB 1.448 70.363 68.868 0.078 0.000 1.195 402 T HN 0.685 nan 8.240 nan 0.000 0.540 403 T N -1.602 112.917 114.554 -0.058 0.000 2.852 403 T HA 0.285 4.635 4.350 -0.001 0.000 0.281 403 T C 1.417 176.070 174.700 -0.078 0.000 0.993 403 T CA -0.278 61.762 62.100 -0.100 0.000 0.933 403 T CB 0.212 68.570 68.868 -0.850 0.000 1.187 403 T HN 0.909 nan 8.240 nan 0.000 0.559 404 H N -0.275 118.787 119.070 -0.013 0.000 2.546 404 H HA -0.015 4.541 4.556 -0.001 0.000 0.277 404 H C 1.229 176.631 175.328 0.123 0.000 1.004 404 H CA 1.054 57.167 56.048 0.107 0.000 1.231 404 H CB -0.753 29.148 29.762 0.231 0.000 1.382 404 H HN 0.891 nan 8.280 nan 0.000 0.580 405 Y N -1.305 118.848 120.300 -0.246 0.000 2.485 405 Y HA 0.540 5.089 4.550 -0.001 0.000 0.260 405 Y C 1.540 177.378 175.900 -0.103 0.000 1.173 405 Y CA -0.386 57.576 58.100 -0.230 0.000 1.252 405 Y CB 0.310 38.549 38.460 -0.368 0.000 1.123 405 Y HN 0.234 nan 8.280 nan 0.000 0.524 406 G N 0.581 109.259 108.800 -0.203 0.000 2.159 406 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.227 406 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.227 406 G C -0.120 174.730 174.900 -0.083 0.000 0.986 406 G CA 0.019 45.073 45.100 -0.077 0.000 0.651 406 G HN 0.556 nan 8.290 nan 0.000 0.523 407 Q N 0.998 120.666 119.800 -0.220 0.000 2.278 407 Q HA 0.526 4.865 4.340 -0.001 0.000 0.257 407 Q C 0.261 176.231 176.000 -0.050 0.000 0.928 407 Q CA -0.543 55.217 55.803 -0.072 0.000 0.932 407 Q CB 0.557 29.322 28.738 0.046 0.000 1.221 407 Q HN 0.518 nan 8.270 nan 0.000 0.434 408 E N 1.952 122.160 120.200 0.013 0.000 2.413 408 E HA 0.060 4.410 4.350 -0.001 0.000 0.263 408 E C -0.878 175.746 176.600 0.040 0.000 1.015 408 E CA -0.034 56.378 56.400 0.019 0.000 0.916 408 E CB 1.058 30.777 29.700 0.032 0.000 0.947 408 E HN 0.347 nan 8.360 nan 0.000 0.440 409 V N 2.854 122.745 119.914 -0.038 0.000 2.266 409 V HA 0.246 4.365 4.120 -0.001 0.000 0.271 409 V C 0.368 176.457 176.094 -0.010 0.000 1.032 409 V CA -0.103 62.145 62.300 -0.086 0.000 0.806 409 V CB 0.869 32.369 31.823 -0.538 0.000 1.052 409 V HN 0.799 nan 8.190 nan 0.000 0.449 410 A N 3.334 126.203 122.820 0.082 0.000 2.500 410 A HA 0.336 4.655 4.320 -0.001 0.000 0.267 410 A C 0.733 178.371 177.584 0.089 0.000 1.290 410 A CA 0.200 52.279 52.037 0.069 0.000 0.928 410 A CB -0.068 18.974 19.000 0.069 0.000 1.066 410 A HN 0.761 nan 8.150 nan 0.000 0.516 411 D N -1.926 118.555 120.400 0.134 0.000 2.865 411 D HA 0.123 4.763 4.640 -0.001 0.000 0.347 411 D C -0.529 175.808 176.300 0.063 0.000 1.498 411 D CA -0.320 53.769 54.000 0.148 0.000 0.787 411 D CB -1.223 39.731 40.800 0.256 0.000 1.190 411 D HN 0.010 nan 8.370 nan 0.000 0.445 412 C N 1.625 120.870 119.300 -0.091 0.000 2.281 412 C HA 0.466 4.926 4.460 -0.001 0.000 0.336 412 C C 1.542 176.194 174.990 -0.563 0.000 1.217 412 C CA -0.419 58.315 59.018 -0.472 0.000 1.730 412 C CB -0.445 27.200 27.740 -0.159 0.000 2.338 412 C HN 0.398 nan 8.230 nan 0.000 0.521 413 V N 5.379 124.739 119.914 -0.924 0.000 3.542 413 V HA 0.180 4.300 4.120 -0.001 0.000 0.296 413 V C 1.561 177.259 176.094 -0.659 0.000 1.364 413 V CA 0.594 62.539 62.300 -0.591 0.000 1.118 413 V CB -0.919 30.573 31.823 -0.551 0.000 0.972 413 V HN 0.872 nan 8.190 nan 0.000 0.430 414 L N 1.556 122.323 121.223 -0.761 0.000 2.043 414 L HA -0.082 4.257 4.340 -0.001 0.000 0.212 414 L C 2.794 179.382 176.870 -0.470 0.000 1.075 414 L CA 2.188 56.573 54.840 -0.759 0.000 0.752 414 L CB -1.052 40.319 42.059 -1.147 0.000 0.891 414 L HN 0.529 nan 8.230 nan 0.000 0.432 415 G N -0.706 107.978 108.800 -0.192 0.000 2.628 415 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.217 415 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.217 415 G C 1.417 176.315 174.900 -0.003 0.000 1.240 415 G CA 0.946 46.088 45.100 0.070 0.000 0.792 415 G HN 0.382 nan 8.290 nan 0.000 0.593 416 E N -0.260 119.914 120.200 -0.043 0.000 2.038 416 E HA -0.123 4.226 4.350 -0.001 0.000 0.195 416 E C 2.560 179.144 176.600 -0.027 0.000 1.000 416 E CA 1.016 57.436 56.400 0.034 0.000 0.803 416 E CB -0.231 29.557 29.700 0.147 0.000 0.750 416 E HN 0.388 nan 8.360 nan 0.000 0.448 417 L N 0.375 121.391 121.223 -0.345 0.000 2.012 417 L HA -0.214 4.126 4.340 -0.001 0.000 0.210 417 L C 2.372 179.138 176.870 -0.174 0.000 1.073 417 L CA 1.107 55.660 54.840 -0.480 0.000 0.748 417 L CB -0.163 41.353 42.059 -0.905 0.000 0.891 417 L HN 0.019 nan 8.230 nan 0.000 0.431 418 V N -0.464 119.364 119.914 -0.142 0.000 2.223 418 V HA -0.327 3.793 4.120 -0.001 0.000 0.244 418 V C 2.502 178.613 176.094 0.029 0.000 1.045 418 V CA 2.366 64.648 62.300 -0.029 0.000 1.000 418 V CB -0.780 31.095 31.823 0.087 0.000 0.635 418 V HN 0.576 nan 8.190 nan 0.000 0.445 419 T N -0.223 114.374 114.554 0.071 0.000 2.635 419 T HA -0.407 3.943 4.350 -0.001 0.000 0.265 419 T C 1.973 176.724 174.700 0.084 0.000 1.058 419 T CA 2.549 64.702 62.100 0.088 0.000 1.162 419 T CB -0.444 68.480 68.868 0.092 0.000 0.859 419 T HN 0.410 nan 8.240 nan 0.000 0.449 420 R N 0.326 120.883 120.500 0.094 0.000 2.120 420 R HA -0.040 4.299 4.340 -0.001 0.000 0.234 420 R C 2.416 178.767 176.300 0.085 0.000 1.123 420 R CA 1.152 57.320 56.100 0.113 0.000 0.975 420 R CB -0.350 30.066 30.300 0.193 0.000 0.866 420 R HN 0.374 nan 8.270 nan 0.000 0.446 421 L N 0.782 122.037 121.223 0.054 0.000 2.131 421 L HA -0.063 4.277 4.340 -0.001 0.000 0.206 421 L C 2.024 178.901 176.870 0.011 0.000 1.087 421 L CA 1.567 56.423 54.840 0.026 0.000 0.767 421 L CB -0.320 41.732 42.059 -0.011 0.000 0.917 421 L HN 0.182 nan 8.230 nan 0.000 0.441 422 Q N -0.374 119.434 119.800 0.013 0.000 2.061 422 Q HA -0.220 4.120 4.340 -0.001 0.000 0.204 422 Q C 2.032 178.106 176.000 0.123 0.000 0.984 422 Q CA 2.101 57.938 55.803 0.057 0.000 0.846 422 Q CB -0.066 28.752 28.738 0.134 0.000 0.902 422 Q HN 0.478 nan 8.270 nan 0.000 0.421 423 K N 0.147 120.608 120.400 0.101 0.000 2.025 423 K HA -0.089 4.231 4.320 -0.001 0.000 0.207 423 K C 2.306 178.953 176.600 0.078 0.000 1.049 423 K CA 1.521 57.864 56.287 0.093 0.000 0.933 423 K CB -0.727 31.820 32.500 0.078 0.000 0.714 423 K HN 0.213 nan 8.250 nan 0.000 0.438 424 S N 1.444 117.184 115.700 0.068 0.000 2.383 424 S HA -0.109 4.360 4.470 -0.001 0.000 0.229 424 S C 2.202 176.835 174.600 0.056 0.000 1.030 424 S CA 1.266 59.500 58.200 0.056 0.000 1.002 424 S CB -0.211 63.020 63.200 0.053 0.000 0.829 424 S HN 0.319 nan 8.310 nan 0.000 0.467 425 A N 0.873 123.731 122.820 0.063 0.000 2.178 425 A HA 0.323 4.643 4.320 -0.001 0.000 0.211 425 A C 1.019 178.667 177.584 0.107 0.000 1.157 425 A CA 0.531 52.608 52.037 0.068 0.000 0.780 425 A CB -0.893 18.130 19.000 0.038 0.000 0.828 425 A HN 0.771 nan 8.150 nan 0.000 0.476 426 N N -3.177 115.600 118.700 0.127 0.000 2.814 426 N HA -0.194 4.546 4.740 -0.001 0.000 0.247 426 N C 0.114 175.728 175.510 0.172 0.000 1.089 426 N CA 0.625 53.745 53.050 0.118 0.000 0.682 426 N CB -1.608 36.924 38.487 0.075 0.000 0.970 426 N HN 0.376 nan 8.380 nan 0.000 0.554 427 F N 0.400 120.363 119.950 0.022 0.000 2.039 427 F HA -0.077 4.450 4.527 -0.001 0.000 0.294 427 F C 2.419 178.230 175.800 0.018 0.000 1.130 427 F CA 2.184 60.197 58.000 0.022 0.000 1.189 427 F CB -0.993 38.027 39.000 0.033 0.000 0.983 427 F HN 0.219 nan 8.300 nan 0.000 0.471 428 T N -0.301 114.207 114.554 -0.077 0.000 2.597 428 T HA -0.265 4.085 4.350 -0.001 0.000 0.267 428 T C 1.965 176.586 174.700 -0.132 0.000 1.053 428 T CA 2.598 64.590 62.100 -0.180 0.000 1.165 428 T CB -0.877 67.961 68.868 -0.049 0.000 0.863 428 T HN 0.309 nan 8.240 nan 0.000 0.427 429 T N 1.382 115.908 114.554 -0.047 0.000 2.684 429 T HA -0.098 4.252 4.350 -0.001 0.000 0.267 429 T C 2.164 176.836 174.700 -0.048 0.000 1.036 429 T CA 1.079 63.160 62.100 -0.032 0.000 1.148 429 T CB -0.194 68.674 68.868 0.001 0.000 0.863 429 T HN 0.289 nan 8.240 nan 0.000 0.436 430 R N 0.261 120.736 120.500 -0.041 0.000 2.120 430 R HA 0.009 4.349 4.340 -0.001 0.000 0.234 430 R C 2.663 178.915 176.300 -0.081 0.000 1.123 430 R CA 1.059 57.138 56.100 -0.035 0.000 0.975 430 R CB -0.196 30.117 30.300 0.022 0.000 0.866 430 R HN 0.274 nan 8.270 nan 0.000 0.446 431 R N 0.246 120.644 120.500 -0.171 0.000 2.081 431 R HA -0.120 4.220 4.340 -0.001 0.000 0.235 431 R C 2.176 178.410 176.300 -0.110 0.000 1.131 431 R CA 1.622 57.601 56.100 -0.202 0.000 0.960 431 R CB -0.205 29.867 30.300 -0.380 0.000 0.856 431 R HN 0.202 nan 8.270 nan 0.000 0.436 432 A N 0.690 123.456 122.820 -0.090 0.000 1.877 432 A HA -0.188 4.131 4.320 -0.001 0.000 0.216 432 A C 1.894 179.472 177.584 -0.011 0.000 1.186 432 A CA 1.627 53.637 52.037 -0.045 0.000 0.620 432 A CB -0.510 18.468 19.000 -0.036 0.000 0.822 432 A HN 0.437 nan 8.150 nan 0.000 0.443 433 E N -0.523 119.670 120.200 -0.011 0.000 2.171 433 E HA -0.182 4.167 4.350 -0.001 0.000 0.197 433 E C 1.740 178.366 176.600 0.044 0.000 0.997 433 E CA 1.287 57.699 56.400 0.020 0.000 0.810 433 E CB -0.259 29.441 29.700 0.000 0.000 0.738 433 E HN 0.729 nan 8.360 nan 0.000 0.467 434 I N 0.223 120.794 120.570 0.001 0.000 2.480 434 I HA -0.142 4.028 4.170 -0.001 0.000 0.251 434 I C 2.416 178.585 176.117 0.087 0.000 1.124 434 I CA 0.482 61.790 61.300 0.014 0.000 1.444 434 I CB -0.142 37.828 38.000 -0.051 0.000 1.098 434 I HN 0.074 nan 8.210 nan 0.000 0.428 435 A N 1.079 123.924 122.820 0.043 0.000 1.883 435 A HA -0.222 4.097 4.320 -0.001 0.000 0.217 435 A C 2.545 180.177 177.584 0.080 0.000 1.186 435 A CA 2.073 54.138 52.037 0.046 0.000 0.624 435 A CB -0.922 18.083 19.000 0.009 0.000 0.822 435 A HN 0.410 nan 8.150 nan 0.000 0.444 436 A N -1.530 121.340 122.820 0.085 0.000 1.851 436 A HA -0.225 4.094 4.320 -0.001 0.000 0.216 436 A C 2.055 179.716 177.584 0.128 0.000 1.195 436 A CA 1.672 53.758 52.037 0.082 0.000 0.622 436 A CB -1.244 17.801 19.000 0.075 0.000 0.831 436 A HN 0.863 nan 8.150 nan 0.000 0.444 437 W N 1.196 122.481 121.300 -0.024 0.000 2.325 437 W HA -0.245 4.414 4.660 -0.001 0.000 0.299 437 W C 1.920 178.423 176.519 -0.026 0.000 1.215 437 W CA 2.057 59.389 57.345 -0.022 0.000 1.244 437 W CB -0.113 29.335 29.460 -0.020 0.000 1.140 437 W HN 0.381 nan 8.180 nan 0.000 0.523 438 N N -0.059 118.831 118.700 0.317 0.000 2.106 438 N HA -0.188 4.552 4.740 -0.001 0.000 0.188 438 N C 1.983 177.490 175.510 -0.005 0.000 1.029 438 N CA 2.191 55.355 53.050 0.190 0.000 0.848 438 N CB -1.211 37.369 38.487 0.154 0.000 1.007 438 N HN 0.235 nan 8.380 nan 0.000 0.423 439 S N -1.086 114.612 115.700 -0.002 0.000 2.528 439 S HA -0.039 4.431 4.470 -0.001 0.000 0.244 439 S C 1.412 175.960 174.600 -0.087 0.000 0.982 439 S CA 1.108 59.285 58.200 -0.039 0.000 0.953 439 S CB -0.343 62.845 63.200 -0.021 0.000 0.754 439 S HN 0.174 nan 8.310 nan 0.000 0.529 440 T N 1.142 115.605 114.554 -0.151 0.000 3.054 440 T HA 0.322 4.672 4.350 -0.001 0.000 0.255 440 T C -0.125 174.397 174.700 -0.296 0.000 1.035 440 T CA -0.300 61.675 62.100 -0.209 0.000 0.941 440 T CB -0.133 68.588 68.868 -0.245 0.000 1.026 440 T HN 0.451 nan 8.240 nan 0.000 0.533 441 N N 0.739 119.247 118.700 -0.319 0.000 2.272 441 N HA 0.445 5.185 4.740 -0.001 0.000 0.305 441 N C 0.915 176.319 175.510 -0.177 0.000 1.103 441 N CA -0.817 52.032 53.050 -0.335 0.000 0.791 441 N CB 1.638 39.797 38.487 -0.546 0.000 1.356 441 N HN 0.095 nan 8.380 nan 0.000 0.486 442 R N -0.595 119.823 120.500 -0.137 0.000 2.435 442 R HA 0.249 4.589 4.340 -0.001 0.000 0.221 442 R C 0.085 176.350 176.300 -0.059 0.000 0.885 442 R CA 0.226 56.276 56.100 -0.083 0.000 1.018 442 R CB 0.085 30.342 30.300 -0.073 0.000 1.259 442 R HN 0.357 nan 8.270 nan 0.000 0.597 443 T N 1.171 115.688 114.554 -0.060 0.000 3.040 443 T HA 0.344 4.694 4.350 -0.001 0.000 0.252 443 T C 0.563 175.265 174.700 0.003 0.000 1.064 443 T CA 0.302 62.385 62.100 -0.029 0.000 1.110 443 T CB 0.164 69.015 68.868 -0.028 0.000 0.921 443 T HN 0.007 nan 8.240 nan 0.000 0.480 444 L N 0.553 121.792 121.223 0.027 0.000 2.322 444 L HA 0.850 5.190 4.340 -0.001 0.000 0.269 444 L C -0.633 176.350 176.870 0.188 0.000 1.012 444 L CA -1.324 53.593 54.840 0.129 0.000 0.815 444 L CB 1.703 43.926 42.059 0.273 0.000 1.295 444 L HN -0.012 nan 8.230 nan 0.000 0.438 445 A N 1.421 124.360 122.820 0.198 0.000 2.455 445 A HA 0.719 5.038 4.320 -0.001 0.000 0.300 445 A C -1.036 176.619 177.584 0.118 0.000 1.040 445 A CA -0.677 51.481 52.037 0.201 0.000 0.697 445 A CB 1.653 20.695 19.000 0.071 0.000 1.265 445 A HN 0.723 nan 8.150 nan 0.000 0.407 446 R N 0.405 120.958 120.500 0.087 0.000 2.598 446 R HA 0.729 5.069 4.340 -0.001 0.000 0.279 446 R C 0.098 176.364 176.300 -0.057 0.000 0.984 446 R CA -0.273 55.767 56.100 -0.100 0.000 0.999 446 R CB 2.215 32.310 30.300 -0.341 0.000 1.114 446 R HN 0.933 nan 8.270 nan 0.000 0.493 447 G N 0.918 109.674 108.800 -0.073 0.000 2.690 447 G HA2 0.671 4.631 3.960 -0.001 0.000 0.293 447 G HA3 0.671 4.631 3.960 -0.001 0.000 0.293 447 G C -1.645 173.245 174.900 -0.016 0.000 1.399 447 G CA -0.467 44.607 45.100 -0.044 0.000 0.890 447 G HN 0.500 nan 8.290 nan 0.000 0.485 448 I N 0.107 120.696 120.570 0.032 0.000 2.722 448 I HA 0.685 4.854 4.170 -0.001 0.000 0.292 448 I C -0.802 175.420 176.117 0.176 0.000 1.267 448 I CA -0.789 60.570 61.300 0.098 0.000 1.036 448 I CB 1.996 40.073 38.000 0.128 0.000 1.281 448 I HN 0.917 nan 8.210 nan 0.000 0.423 449 A N 6.310 129.232 122.820 0.171 0.000 2.556 449 A HA 0.816 5.136 4.320 -0.001 0.000 0.294 449 A C -2.105 175.537 177.584 0.096 0.000 1.091 449 A CA -0.546 51.600 52.037 0.182 0.000 0.704 449 A CB 1.989 21.071 19.000 0.137 0.000 1.300 449 A HN 0.667 nan 8.150 nan 0.000 0.406 450 L N 1.298 122.561 121.223 0.067 0.000 2.329 450 L HA 0.861 5.200 4.340 -0.001 0.000 0.279 450 L C -0.132 176.779 176.870 0.067 0.000 1.014 450 L CA 0.272 55.078 54.840 -0.056 0.000 0.814 450 L CB 2.014 43.980 42.059 -0.155 0.000 1.257 450 L HN 1.043 nan 8.230 nan 0.000 0.424 451 S N 5.890 121.634 115.700 0.074 0.000 2.614 451 S HA 0.787 5.257 4.470 -0.001 0.000 0.275 451 S C -3.115 171.559 174.600 0.123 0.000 1.161 451 S CA -0.920 57.361 58.200 0.135 0.000 0.969 451 S CB 2.039 65.322 63.200 0.138 0.000 1.059 451 S HN 0.559 nan 8.310 nan 0.000 0.482 452 P HA 0.689 nan 4.420 nan 0.000 0.283 452 P C -1.154 176.188 177.300 0.070 0.000 1.278 452 P CA -0.755 62.389 63.100 0.072 0.000 0.834 452 P CB 1.439 33.172 31.700 0.054 0.000 1.150 453 V N 0.621 120.568 119.914 0.055 0.000 2.925 453 V HA 0.540 4.660 4.120 -0.001 0.000 0.311 453 V C -0.391 175.734 176.094 0.051 0.000 1.104 453 V CA -0.538 61.812 62.300 0.084 0.000 0.954 453 V CB 2.241 34.143 31.823 0.131 0.000 1.022 453 V HN 0.652 nan 8.190 nan 0.000 0.427 454 K N 3.762 124.178 120.400 0.026 0.000 2.716 454 K HA 0.516 4.836 4.320 -0.001 0.000 0.249 454 K C -2.255 174.385 176.600 0.066 0.000 1.004 454 K CA -0.369 55.835 56.287 -0.138 0.000 0.968 454 K CB 1.262 33.672 32.500 -0.150 0.000 1.214 454 K HN 0.519 nan 8.250 nan 0.000 0.476 455 F N 2.819 122.702 119.950 -0.111 0.000 2.507 455 F HA 0.568 5.095 4.527 -0.001 0.000 0.328 455 F C 0.270 175.989 175.800 -0.135 0.000 1.136 455 F CA -0.443 57.545 58.000 -0.020 0.000 0.930 455 F CB 1.700 40.624 39.000 -0.128 0.000 1.166 455 F HN 0.614 nan 8.300 nan 0.000 0.436 456 G N 6.459 114.859 108.800 -0.668 0.000 2.406 456 G HA2 0.398 4.358 3.960 -0.001 0.000 0.251 456 G HA3 0.398 4.358 3.960 -0.001 0.000 0.251 456 G C -0.759 173.282 174.900 -1.432 0.000 1.271 456 G CA -0.440 43.604 45.100 -1.759 0.000 0.859 456 G HN 0.501 nan 8.290 nan 0.000 0.540 457 I N 0.979 120.893 120.570 -1.093 0.000 2.354 457 I HA 0.564 4.734 4.170 -0.001 0.000 0.292 457 I C 0.310 176.223 176.117 -0.339 0.000 0.989 457 I CA -0.258 60.643 61.300 -0.666 0.000 1.188 457 I CB 0.572 37.960 38.000 -1.020 0.000 1.342 457 I HN 0.556 nan 8.210 nan 0.000 0.457 458 S N 4.379 119.950 115.700 -0.216 0.000 2.836 458 S HA 0.032 4.502 4.470 -0.001 0.000 0.441 458 S C -0.604 173.932 174.600 -0.106 0.000 0.723 458 S CA -0.908 57.223 58.200 -0.115 0.000 1.400 458 S CB -0.287 62.907 63.200 -0.009 0.000 1.145 458 S HN 0.349 nan 8.310 nan 0.000 0.415 459 F N 2.232 122.128 119.950 -0.090 0.000 2.602 459 F HA 0.108 4.635 4.527 -0.001 0.000 0.367 459 F C 2.321 178.059 175.800 -0.104 0.000 1.126 459 F CA 1.135 59.062 58.000 -0.123 0.000 1.321 459 F CB 0.630 39.540 39.000 -0.150 0.000 1.094 459 F HN 0.794 nan 8.300 nan 0.000 0.594 460 T N 0.052 114.673 114.554 0.112 0.000 3.067 460 T HA -0.013 4.337 4.350 -0.001 0.000 0.261 460 T C 0.826 175.718 174.700 0.319 0.000 1.110 460 T CA 0.093 62.209 62.100 0.026 0.000 1.113 460 T CB 0.002 68.887 68.868 0.029 0.000 0.917 460 T HN 0.237 nan 8.240 nan 0.000 0.499 461 L N 3.768 125.132 121.223 0.236 0.000 2.384 461 L HA 0.352 4.691 4.340 -0.001 0.000 0.258 461 L C 1.273 178.163 176.870 0.032 0.000 1.266 461 L CA 0.040 54.967 54.840 0.144 0.000 1.162 461 L CB -1.254 40.811 42.059 0.011 0.000 1.375 461 L HN 0.260 nan 8.230 nan 0.000 0.420 462 T N 1.240 115.890 114.554 0.159 0.000 2.635 462 T HA -0.314 4.035 4.350 -0.001 0.000 0.265 462 T C 1.619 176.354 174.700 0.058 0.000 1.058 462 T CA 2.387 64.558 62.100 0.119 0.000 1.162 462 T CB -0.526 68.447 68.868 0.175 0.000 0.859 462 T HN 0.744 nan 8.240 nan 0.000 0.449 463 H N 1.281 120.366 119.070 0.025 0.000 2.566 463 H HA 0.052 4.607 4.556 -0.001 0.000 0.285 463 H C 1.764 177.065 175.328 -0.045 0.000 1.041 463 H CA 0.670 56.719 56.048 0.001 0.000 1.207 463 H CB -0.781 28.984 29.762 0.006 0.000 1.353 463 H HN 0.379 nan 8.280 nan 0.000 0.604 464 L N 0.669 121.618 121.223 -0.456 0.000 2.599 464 L HA 0.020 4.359 4.340 -0.001 0.000 0.230 464 L C 0.545 177.257 176.870 -0.264 0.000 1.141 464 L CA 0.034 54.544 54.840 -0.551 0.000 0.877 464 L CB -0.129 41.271 42.059 -1.097 0.000 1.009 464 L HN 0.149 nan 8.230 nan 0.000 0.447 465 N N 2.545 121.216 118.700 -0.049 0.000 3.303 465 N HA 0.066 4.805 4.740 -0.001 0.000 0.304 465 N C -0.433 175.054 175.510 -0.038 0.000 1.302 465 N CA 0.133 53.220 53.050 0.062 0.000 1.213 465 N CB 0.317 38.859 38.487 0.092 0.000 1.481 465 N HN 0.517 nan 8.380 nan 0.000 0.546 466 Q N -0.893 118.864 119.800 -0.072 0.000 2.379 466 Q HA 0.841 5.180 4.340 -0.001 0.000 0.278 466 Q C -1.716 174.175 176.000 -0.180 0.000 1.068 466 Q CA -1.217 54.449 55.803 -0.228 0.000 0.816 466 Q CB 2.263 30.928 28.738 -0.121 0.000 1.387 466 Q HN 0.083 nan 8.270 nan 0.000 0.413 467 A N 0.779 123.400 122.820 -0.331 0.000 2.587 467 A HA 0.972 5.292 4.320 -0.001 0.000 0.293 467 A C -0.894 176.624 177.584 -0.109 0.000 1.087 467 A CA -0.255 51.710 52.037 -0.119 0.000 0.692 467 A CB 1.967 20.959 19.000 -0.013 0.000 1.291 467 A HN 0.944 nan 8.150 nan 0.000 0.407 468 G N -1.048 107.809 108.800 0.095 0.000 2.574 468 G HA2 0.881 4.840 3.960 -0.001 0.000 0.299 468 G HA3 0.881 4.840 3.960 -0.001 0.000 0.299 468 G C -0.642 174.353 174.900 0.158 0.000 1.298 468 G CA 0.029 45.251 45.100 0.205 0.000 0.952 468 G HN 1.921 nan 8.290 nan 0.000 0.477 469 A N -0.455 122.455 122.820 0.151 0.000 2.569 469 A HA 0.838 5.158 4.320 -0.001 0.000 0.290 469 A C -1.977 175.662 177.584 0.091 0.000 1.136 469 A CA -0.640 51.473 52.037 0.126 0.000 0.710 469 A CB 2.105 21.174 19.000 0.114 0.000 1.303 469 A HN 1.661 nan 8.150 nan 0.000 0.413 470 L N 0.911 122.174 121.223 0.066 0.000 2.439 470 L HA 0.725 5.065 4.340 -0.001 0.000 0.270 470 L C -1.498 175.381 176.870 0.014 0.000 0.972 470 L CA -0.327 54.533 54.840 0.035 0.000 0.836 470 L CB 1.762 43.837 42.059 0.027 0.000 1.255 470 L HN 0.523 nan 8.230 nan 0.000 0.404 471 V N 4.509 124.419 119.914 -0.007 0.000 2.628 471 V HA 0.686 4.806 4.120 -0.001 0.000 0.306 471 V C -0.780 175.266 176.094 -0.081 0.000 1.045 471 V CA -0.599 61.682 62.300 -0.031 0.000 0.905 471 V CB 1.921 33.730 31.823 -0.023 0.000 0.997 471 V HN 0.756 nan 8.190 nan 0.000 0.436 472 Q N 4.103 123.819 119.800 -0.141 0.000 2.305 472 Q HA 0.590 4.930 4.340 -0.001 0.000 0.271 472 Q C -1.281 174.506 176.000 -0.356 0.000 1.046 472 Q CA -0.502 55.132 55.803 -0.281 0.000 0.798 472 Q CB 3.016 31.473 28.738 -0.468 0.000 1.286 472 Q HN 0.645 nan 8.270 nan 0.000 0.435 473 I N 2.772 123.175 120.570 -0.279 0.000 2.331 473 I HA 0.303 4.473 4.170 -0.001 0.000 0.292 473 I C -0.444 175.512 176.117 -0.267 0.000 0.998 473 I CA -0.661 60.535 61.300 -0.173 0.000 1.267 473 I CB 0.445 38.434 38.000 -0.017 0.000 1.386 473 I HN 0.503 nan 8.210 nan 0.000 0.476 474 Y N 2.628 122.928 120.300 -0.000 0.000 2.408 474 Y HA 0.096 4.646 4.550 -0.001 0.000 0.324 474 Y C 2.007 177.857 175.900 -0.084 0.000 1.302 474 Y CA -0.474 57.593 58.100 -0.054 0.000 1.384 474 Y CB 0.876 39.305 38.460 -0.050 0.000 1.367 474 Y HN 0.631 nan 8.280 nan 0.000 0.525 475 T N -3.374 111.190 114.554 0.017 0.000 3.051 475 T HA -0.158 4.191 4.350 -0.001 0.000 0.269 475 T C 0.689 175.371 174.700 -0.030 0.000 1.127 475 T CA 1.284 63.320 62.100 -0.106 0.000 1.107 475 T CB -0.419 68.259 68.868 -0.317 0.000 0.898 475 T HN 0.712 nan 8.240 nan 0.000 0.517 476 D N 0.425 120.841 120.400 0.026 0.000 2.328 476 D HA 0.246 4.885 4.640 -0.001 0.000 0.221 476 D C 1.655 178.013 176.300 0.097 0.000 1.072 476 D CA 0.382 54.408 54.000 0.042 0.000 0.850 476 D CB -0.681 40.136 40.800 0.029 0.000 0.922 476 D HN 0.535 nan 8.370 nan 0.000 0.516 477 G N 0.453 109.329 108.800 0.127 0.000 2.205 477 G HA2 -0.327 3.632 3.960 -0.001 0.000 0.261 477 G HA3 -0.327 3.632 3.960 -0.001 0.000 0.261 477 G C 0.546 175.603 174.900 0.262 0.000 0.980 477 G CA 0.568 45.816 45.100 0.247 0.000 0.632 477 G HN 0.788 nan 8.290 nan 0.000 0.533 478 S N -0.884 114.929 115.700 0.188 0.000 2.608 478 S HA 0.674 5.144 4.470 -0.001 0.000 0.261 478 S C 0.022 174.738 174.600 0.193 0.000 1.314 478 S CA 0.051 58.347 58.200 0.160 0.000 0.992 478 S CB 2.446 65.719 63.200 0.122 0.000 0.935 478 S HN 1.151 nan 8.310 nan 0.000 0.564 479 V N 0.625 120.614 119.914 0.125 0.000 2.638 479 V HA 0.729 4.849 4.120 -0.001 0.000 0.306 479 V C -0.109 176.027 176.094 0.071 0.000 1.052 479 V CA -0.705 61.640 62.300 0.075 0.000 0.885 479 V CB 1.548 33.384 31.823 0.022 0.000 0.999 479 V HN 1.212 nan 8.190 nan 0.000 0.424 480 A N 4.792 127.644 122.820 0.053 0.000 2.258 480 A HA 0.833 5.153 4.320 -0.001 0.000 0.316 480 A C -0.910 176.676 177.584 0.002 0.000 1.279 480 A CA -0.389 51.683 52.037 0.059 0.000 0.876 480 A CB 0.873 19.955 19.000 0.137 0.000 1.170 480 A HN 0.967 nan 8.150 nan 0.000 0.520 481 L N 2.791 124.014 121.223 0.000 0.000 2.322 481 L HA 0.701 5.041 4.340 -0.001 0.000 0.279 481 L C -0.517 176.366 176.870 0.021 0.000 1.036 481 L CA -0.208 54.640 54.840 0.013 0.000 0.807 481 L CB 1.414 43.485 42.059 0.020 0.000 1.226 481 L HN 0.681 nan 8.230 nan 0.000 0.433 482 N N 2.011 120.741 118.700 0.050 0.000 2.336 482 N HA 0.420 5.160 4.740 -0.001 0.000 0.290 482 N C -1.556 174.013 175.510 0.098 0.000 1.058 482 N CA -0.328 52.736 53.050 0.023 0.000 0.865 482 N CB 1.407 39.882 38.487 -0.019 0.000 1.581 482 N HN 1.018 nan 8.380 nan 0.000 0.480 483 H N -0.622 118.465 119.070 0.027 0.000 2.931 483 H HA 0.587 5.143 4.556 -0.001 0.000 0.331 483 H C 0.799 176.163 175.328 0.060 0.000 1.273 483 H CA -0.738 55.337 56.048 0.046 0.000 1.171 483 H CB 0.669 30.458 29.762 0.045 0.000 1.898 483 H HN 0.372 nan 8.280 nan 0.000 0.562 484 G N -0.620 108.274 108.800 0.158 0.000 2.551 484 G HA2 0.183 4.143 3.960 -0.001 0.000 0.216 484 G HA3 0.183 4.143 3.960 -0.001 0.000 0.216 484 G C 0.793 175.736 174.900 0.072 0.000 1.137 484 G CA 0.081 45.229 45.100 0.079 0.000 0.798 484 G HN 0.862 nan 8.290 nan 0.000 0.536 485 G N 0.158 109.093 108.800 0.226 0.000 2.664 485 G HA2 0.406 4.366 3.960 -0.001 0.000 0.242 485 G HA3 0.406 4.366 3.960 -0.001 0.000 0.242 485 G C 0.075 174.987 174.900 0.019 0.000 1.225 485 G CA 0.545 45.738 45.100 0.155 0.000 0.849 485 G HN 0.414 nan 8.290 nan 0.000 0.581 486 T N -1.408 113.121 114.554 -0.041 0.000 2.856 486 T HA 0.524 4.873 4.350 -0.001 0.000 0.283 486 T C -0.468 174.116 174.700 -0.194 0.000 1.008 486 T CA -0.821 61.219 62.100 -0.100 0.000 0.997 486 T CB 2.297 71.122 68.868 -0.073 0.000 0.992 486 T HN 0.515 nan 8.240 nan 0.000 0.454 487 E N 2.806 122.836 120.200 -0.284 0.000 2.194 487 E HA 0.390 4.739 4.350 -0.001 0.000 0.284 487 E C 0.433 176.976 176.600 -0.095 0.000 1.035 487 E CA -0.628 55.606 56.400 -0.278 0.000 0.836 487 E CB 0.627 30.109 29.700 -0.363 0.000 1.070 487 E HN 0.775 nan 8.360 nan 0.000 0.401 488 M N 2.540 122.086 119.600 -0.089 0.000 2.502 488 M HA 0.488 4.968 4.480 -0.001 0.000 0.351 488 M C 0.794 177.065 176.300 -0.048 0.000 1.118 488 M CA 0.053 55.296 55.300 -0.096 0.000 0.952 488 M CB 0.707 33.175 32.600 -0.220 0.000 1.424 488 M HN 0.598 nan 8.290 nan 0.000 0.529 489 G N 1.781 110.629 108.800 0.080 0.000 2.184 489 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.206 489 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.206 489 G C 0.726 175.720 174.900 0.157 0.000 0.995 489 G CA 0.389 45.577 45.100 0.146 0.000 0.651 489 G HN 0.644 nan 8.290 nan 0.000 0.511 490 Q N 0.973 120.821 119.800 0.080 0.000 2.403 490 Q HA 0.358 4.698 4.340 -0.001 0.000 0.203 490 Q C 1.550 177.598 176.000 0.081 0.000 0.932 490 Q CA 1.154 56.992 55.803 0.059 0.000 0.945 490 Q CB 0.072 28.802 28.738 -0.013 0.000 1.045 490 Q HN 1.844 nan 8.270 nan 0.000 0.511 491 G N 1.840 110.707 108.800 0.110 0.000 2.137 491 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.237 491 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.237 491 G C 0.386 175.242 174.900 -0.073 0.000 1.002 491 G CA 0.382 45.482 45.100 -0.000 0.000 0.702 491 G HN 0.388 nan 8.290 nan 0.000 0.515 492 L N 0.248 121.416 121.223 -0.092 0.000 1.989 492 L HA -0.004 4.336 4.340 -0.001 0.000 0.211 492 L C 2.555 179.407 176.870 -0.031 0.000 1.071 492 L CA 3.028 57.816 54.840 -0.086 0.000 0.749 492 L CB -0.569 41.422 42.059 -0.113 0.000 0.890 492 L HN 0.381 nan 8.230 nan 0.000 0.431 493 H N -0.072 118.977 119.070 -0.035 0.000 2.353 493 H HA -0.070 4.486 4.556 -0.001 0.000 0.298 493 H C 2.182 177.451 175.328 -0.098 0.000 1.103 493 H CA 1.436 57.475 56.048 -0.015 0.000 1.293 493 H CB -0.757 28.985 29.762 -0.034 0.000 1.372 493 H HN 0.541 nan 8.280 nan 0.000 0.501 494 A N 1.161 123.956 122.820 -0.041 0.000 1.969 494 A HA -0.148 4.172 4.320 -0.001 0.000 0.218 494 A C 2.282 179.837 177.584 -0.048 0.000 1.169 494 A CA 1.443 53.438 52.037 -0.071 0.000 0.635 494 A CB -0.182 18.754 19.000 -0.107 0.000 0.810 494 A HN 0.394 nan 8.150 nan 0.000 0.445 495 K N -0.968 119.404 120.400 -0.047 0.000 2.103 495 K HA -0.011 4.308 4.320 -0.001 0.000 0.204 495 K C 1.844 178.410 176.600 -0.058 0.000 1.052 495 K CA 1.204 57.462 56.287 -0.048 0.000 0.945 495 K CB -0.228 32.246 32.500 -0.043 0.000 0.722 495 K HN 0.287 nan 8.250 nan 0.000 0.443 496 M N 0.717 120.268 119.600 -0.081 0.000 2.175 496 M HA -0.098 4.381 4.480 -0.001 0.000 0.264 496 M C 2.244 178.509 176.300 -0.059 0.000 1.063 496 M CA 1.216 56.444 55.300 -0.120 0.000 1.119 496 M CB -0.732 31.709 32.600 -0.265 0.000 1.377 496 M HN -0.083 nan 8.290 nan 0.000 0.415 497 V N 0.202 120.093 119.914 -0.039 0.000 2.490 497 V HA -0.276 3.843 4.120 -0.001 0.000 0.250 497 V C 2.328 178.393 176.094 -0.048 0.000 1.061 497 V CA 1.584 63.860 62.300 -0.040 0.000 1.064 497 V CB -0.599 31.198 31.823 -0.043 0.000 0.670 497 V HN 0.535 nan 8.190 nan 0.000 0.461 498 Q N -1.145 118.624 119.800 -0.051 0.000 2.137 498 Q HA -0.102 4.238 4.340 -0.001 0.000 0.198 498 Q C 2.321 178.287 176.000 -0.057 0.000 0.960 498 Q CA 1.282 57.046 55.803 -0.065 0.000 0.847 498 Q CB -0.124 28.568 28.738 -0.078 0.000 0.915 498 Q HN 0.511 nan 8.270 nan 0.000 0.448 499 V N 0.922 120.830 119.914 -0.010 0.000 2.295 499 V HA -0.294 3.826 4.120 -0.001 0.000 0.246 499 V C 2.239 178.372 176.094 0.065 0.000 1.049 499 V CA 1.940 64.298 62.300 0.096 0.000 1.024 499 V CB -0.886 31.003 31.823 0.111 0.000 0.648 499 V HN 0.419 nan 8.190 nan 0.000 0.447 500 A N -0.123 122.699 122.820 0.004 0.000 1.908 500 A HA -0.146 4.173 4.320 -0.001 0.000 0.218 500 A C 2.380 179.937 177.584 -0.045 0.000 1.181 500 A CA 2.173 54.199 52.037 -0.018 0.000 0.627 500 A CB -0.796 18.185 19.000 -0.031 0.000 0.818 500 A HN 0.596 nan 8.150 nan 0.000 0.445 501 A N -0.508 122.275 122.820 -0.061 0.000 2.015 501 A HA 0.253 4.573 4.320 -0.001 0.000 0.219 501 A C 2.383 179.922 177.584 -0.075 0.000 1.163 501 A CA 1.774 53.757 52.037 -0.089 0.000 0.646 501 A CB -0.724 18.223 19.000 -0.089 0.000 0.806 501 A HN 0.990 nan 8.150 nan 0.000 0.448 502 A N -0.801 121.984 122.820 -0.058 0.000 1.970 502 A HA 0.135 4.454 4.320 -0.001 0.000 0.216 502 A C 2.052 179.652 177.584 0.026 0.000 1.170 502 A CA 1.517 53.520 52.037 -0.057 0.000 0.645 502 A CB -0.464 18.435 19.000 -0.169 0.000 0.816 502 A HN 0.339 nan 8.150 nan 0.000 0.447 503 V N -0.399 119.549 119.914 0.055 0.000 2.788 503 V HA -0.026 4.093 4.120 -0.001 0.000 0.251 503 V C 2.097 178.169 176.094 -0.037 0.000 1.068 503 V CA 1.186 63.517 62.300 0.053 0.000 1.090 503 V CB -0.324 31.525 31.823 0.044 0.000 0.710 503 V HN 0.527 nan 8.190 nan 0.000 0.467 504 L N 0.186 121.367 121.223 -0.070 0.000 2.529 504 L HA 0.353 4.693 4.340 -0.001 0.000 0.223 504 L C 1.677 178.509 176.870 -0.062 0.000 1.113 504 L CA 0.873 55.636 54.840 -0.129 0.000 0.861 504 L CB -0.109 41.861 42.059 -0.149 0.000 1.012 504 L HN 0.503 nan 8.230 nan 0.000 0.461 505 G N 1.452 110.243 108.800 -0.016 0.000 2.137 505 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.237 505 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.237 505 G C 0.208 175.086 174.900 -0.037 0.000 1.002 505 G CA 0.503 45.643 45.100 0.067 0.000 0.702 505 G HN 0.404 nan 8.290 nan 0.000 0.515 506 I N -3.084 117.385 120.570 -0.168 0.000 3.264 506 I HA 0.849 5.018 4.170 -0.001 0.000 0.309 506 I C -0.379 175.657 176.117 -0.135 0.000 1.099 506 I CA -1.210 59.959 61.300 -0.219 0.000 0.989 506 I CB 1.827 39.550 38.000 -0.463 0.000 1.250 506 I HN -0.018 nan 8.210 nan 0.000 0.478 507 D N 2.192 122.526 120.400 -0.109 0.000 2.304 507 D HA 0.331 4.970 4.640 -0.001 0.000 0.250 507 D C -1.924 174.328 176.300 -0.080 0.000 1.107 507 D CA -2.264 51.691 54.000 -0.075 0.000 0.885 507 D CB 1.634 42.407 40.800 -0.046 0.000 1.192 507 D HN 0.233 nan 8.370 nan 0.000 0.436 508 P HA -0.201 nan 4.420 nan 0.000 0.216 508 P C 1.544 178.813 177.300 -0.052 0.000 1.154 508 P CA 0.793 63.855 63.100 -0.062 0.000 0.865 508 P CB 0.150 31.817 31.700 -0.054 0.000 0.789 509 V N -0.257 119.631 119.914 -0.043 0.000 2.546 509 V HA -0.237 3.883 4.120 -0.001 0.000 0.254 509 V C 2.259 178.337 176.094 -0.028 0.000 1.076 509 V CA 1.674 63.955 62.300 -0.031 0.000 1.087 509 V CB -1.111 30.698 31.823 -0.024 0.000 0.674 509 V HN 0.194 nan 8.190 nan 0.000 0.470 510 Q N -0.569 119.209 119.800 -0.037 0.000 2.472 510 Q HA 0.111 4.451 4.340 -0.001 0.000 0.208 510 Q C 0.305 176.290 176.000 -0.025 0.000 0.958 510 Q CA 0.370 56.156 55.803 -0.028 0.000 0.932 510 Q CB 0.299 28.999 28.738 -0.063 0.000 1.007 510 Q HN 0.514 nan 8.270 nan 0.000 0.508 511 V N 1.338 121.230 119.914 -0.037 0.000 2.417 511 V HA 0.389 4.508 4.120 -0.001 0.000 0.291 511 V C -0.183 175.895 176.094 -0.026 0.000 1.024 511 V CA -0.886 61.396 62.300 -0.030 0.000 0.861 511 V CB 1.914 33.709 31.823 -0.047 0.000 0.985 511 V HN -0.005 nan 8.190 nan 0.000 0.436 512 R N 3.936 124.428 120.500 -0.014 0.000 2.445 512 R HA 0.634 4.973 4.340 -0.001 0.000 0.308 512 R C -0.932 175.336 176.300 -0.054 0.000 0.961 512 R CA -0.566 55.516 56.100 -0.030 0.000 0.862 512 R CB 1.406 31.699 30.300 -0.012 0.000 1.144 512 R HN 0.626 nan 8.270 nan 0.000 0.447 513 I N 3.443 123.949 120.570 -0.106 0.000 2.472 513 I HA 0.315 4.485 4.170 -0.001 0.000 0.290 513 I C -0.444 175.558 176.117 -0.193 0.000 1.016 513 I CA 0.429 61.614 61.300 -0.192 0.000 1.348 513 I CB 1.425 39.206 38.000 -0.365 0.000 1.417 513 I HN 0.881 nan 8.210 nan 0.000 0.521 514 T N 4.496 118.939 114.554 -0.184 0.000 2.950 514 T HA 0.835 5.185 4.350 -0.001 0.000 0.288 514 T C -0.022 174.582 174.700 -0.160 0.000 1.035 514 T CA -0.746 61.276 62.100 -0.129 0.000 1.028 514 T CB 1.180 70.007 68.868 -0.068 0.000 1.109 514 T HN 0.850 nan 8.240 nan 0.000 0.514 515 A N 1.645 124.412 122.820 -0.090 0.000 2.511 515 A HA 0.447 4.766 4.320 -0.001 0.000 0.242 515 A C 0.852 178.399 177.584 -0.061 0.000 1.069 515 A CA -0.319 51.688 52.037 -0.051 0.000 0.763 515 A CB -0.754 18.241 19.000 -0.010 0.000 1.001 515 A HN 0.858 nan 8.150 nan 0.000 0.498 516 T N 2.375 116.903 114.554 -0.044 0.000 2.908 516 T HA 0.254 4.603 4.350 -0.001 0.000 0.301 516 T C -0.156 174.515 174.700 -0.047 0.000 1.019 516 T CA 0.925 62.985 62.100 -0.066 0.000 1.152 516 T CB -0.022 68.817 68.868 -0.047 0.000 0.966 516 T HN 0.689 nan 8.240 nan 0.000 0.540 517 D N 1.699 122.070 120.400 -0.047 0.000 2.891 517 D HA 0.114 4.754 4.640 -0.001 0.000 0.224 517 D C 1.015 177.298 176.300 -0.029 0.000 1.321 517 D CA -0.520 53.455 54.000 -0.042 0.000 0.929 517 D CB 1.392 42.168 40.800 -0.039 0.000 1.551 517 D HN 0.492 nan 8.370 nan 0.000 0.574 518 T N -0.288 114.246 114.554 -0.033 0.000 3.163 518 T HA -0.050 4.300 4.350 -0.001 0.000 0.260 518 T C 1.300 175.998 174.700 -0.004 0.000 1.156 518 T CA 0.957 63.047 62.100 -0.015 0.000 1.072 518 T CB -0.190 68.658 68.868 -0.032 0.000 0.937 518 T HN 0.227 nan 8.240 nan 0.000 0.528 519 S N -0.506 115.187 115.700 -0.012 0.000 2.577 519 S HA 0.360 4.830 4.470 -0.001 0.000 0.219 519 S C 1.328 175.930 174.600 0.003 0.000 0.962 519 S CA -0.611 57.588 58.200 -0.002 0.000 0.921 519 S CB 0.044 63.237 63.200 -0.011 0.000 0.789 519 S HN 0.521 nan 8.310 nan 0.000 0.497 520 K N 0.157 120.559 120.400 0.004 0.000 2.403 520 K HA 0.342 4.661 4.320 -0.001 0.000 0.199 520 K C -0.653 175.962 176.600 0.024 0.000 1.199 520 K CA 0.294 56.586 56.287 0.009 0.000 0.924 520 K CB 1.165 33.665 32.500 -0.001 0.000 1.137 520 K HN 0.184 nan 8.250 nan 0.000 0.510 521 V N 4.499 124.431 119.914 0.030 0.000 2.376 521 V HA 0.319 4.439 4.120 -0.001 0.000 0.287 521 V C -2.558 173.574 176.094 0.063 0.000 1.015 521 V CA -1.804 60.531 62.300 0.058 0.000 0.834 521 V CB 1.349 33.214 31.823 0.069 0.000 1.001 521 V HN 0.082 nan 8.190 nan 0.000 0.428 522 P HA 0.413 nan 4.420 nan 0.000 0.285 522 P C -0.453 176.907 177.300 0.100 0.000 1.269 522 P CA -0.476 62.668 63.100 0.073 0.000 0.844 522 P CB 0.766 32.504 31.700 0.064 0.000 1.094 523 N N -1.465 117.293 118.700 0.097 0.000 2.714 523 N HA -0.103 4.636 4.740 -0.001 0.000 0.253 523 N C -0.083 175.503 175.510 0.128 0.000 1.024 523 N CA 1.109 54.229 53.050 0.118 0.000 0.726 523 N CB -2.309 36.256 38.487 0.129 0.000 0.908 523 N HN 0.630 nan 8.380 nan 0.000 0.542 524 T N -3.334 111.289 114.554 0.115 0.000 2.902 524 T HA 0.581 4.931 4.350 -0.001 0.000 0.280 524 T C 0.748 175.518 174.700 0.117 0.000 0.992 524 T CA -0.653 61.510 62.100 0.104 0.000 1.015 524 T CB 1.980 70.902 68.868 0.089 0.000 1.044 524 T HN 0.089 nan 8.240 nan 0.000 0.520 525 S N 0.477 116.178 115.700 0.000 0.000 2.652 525 S HA 0.634 5.103 4.470 -0.001 0.000 0.270 525 S C 0.748 175.091 174.600 -0.429 0.000 1.243 525 S CA -0.705 57.388 58.200 -0.180 0.000 0.999 525 S CB 0.583 63.593 63.200 -0.316 0.000 0.973 525 S HN 1.083 nan 8.310 nan 0.000 0.544 526 A N 1.405 123.490 122.820 -1.225 0.000 2.492 526 A HA 0.305 4.624 4.320 -0.001 0.000 0.236 526 A C 0.394 177.838 177.584 -0.233 0.000 1.078 526 A CA 0.055 51.512 52.037 -0.968 0.000 0.773 526 A CB -0.289 18.249 19.000 -0.770 0.000 1.023 526 A HN 0.658 nan 8.150 nan 0.000 0.504 527 T N 1.689 116.163 114.554 -0.133 0.000 2.739 527 T HA 0.557 4.906 4.350 -0.001 0.000 0.298 527 T C 0.252 174.915 174.700 -0.063 0.000 0.929 527 T CA 0.890 62.960 62.100 -0.049 0.000 1.014 527 T CB -0.042 68.788 68.868 -0.062 0.000 0.914 527 T HN 1.355 nan 8.240 nan 0.000 0.509 528 A N 2.481 125.267 122.820 -0.058 0.000 2.467 528 A HA 0.836 5.155 4.320 -0.001 0.000 0.301 528 A C 0.349 177.627 177.584 -0.509 0.000 1.126 528 A CA -0.258 51.655 52.037 -0.207 0.000 0.632 528 A CB -0.032 18.886 19.000 -0.137 0.000 1.331 528 A HN 1.649 nan 8.150 nan 0.000 0.482 529 A N -0.539 121.952 122.820 -0.549 0.000 2.860 529 A HA 0.143 4.462 4.320 -0.001 0.000 0.267 529 A C 1.182 178.541 177.584 -0.375 0.000 1.421 529 A CA 1.742 53.400 52.037 -0.632 0.000 0.831 529 A CB -2.682 15.516 19.000 -1.338 0.000 1.041 529 A HN 2.699 nan 8.150 nan 0.000 0.623 530 S N -2.944 112.605 115.700 -0.252 0.000 3.486 530 S HA -0.246 4.224 4.470 -0.001 0.000 0.371 530 S C 0.891 175.388 174.600 -0.172 0.000 1.001 530 S CA 1.678 59.776 58.200 -0.171 0.000 1.164 530 S CB -2.657 60.460 63.200 -0.138 0.000 0.911 530 S HN 2.495 nan 8.310 nan 0.000 0.472 531 S N -1.058 114.504 115.700 -0.230 0.000 2.539 531 S HA 0.455 4.925 4.470 -0.001 0.000 0.221 531 S C 1.966 176.530 174.600 -0.059 0.000 0.987 531 S CA 0.386 58.498 58.200 -0.147 0.000 0.929 531 S CB 0.012 63.088 63.200 -0.206 0.000 0.832 531 S HN 0.919 nan 8.310 nan 0.000 0.492 532 G N 2.375 111.137 108.800 -0.063 0.000 2.529 532 G HA2 -0.150 3.810 3.960 -0.001 0.000 0.219 532 G HA3 -0.150 3.810 3.960 -0.001 0.000 0.219 532 G C 1.569 176.441 174.900 -0.046 0.000 1.177 532 G CA 1.114 46.194 45.100 -0.033 0.000 0.773 532 G HN 0.800 nan 8.290 nan 0.000 0.573 533 A N 0.127 122.913 122.820 -0.058 0.000 1.975 533 A HA 0.139 4.458 4.320 -0.001 0.000 0.215 533 A C 2.064 179.598 177.584 -0.084 0.000 1.170 533 A CA 1.717 53.709 52.037 -0.076 0.000 0.656 533 A CB -0.212 18.753 19.000 -0.058 0.000 0.821 533 A HN 0.255 nan 8.150 nan 0.000 0.449 534 D N -0.135 120.232 120.400 -0.055 0.000 2.133 534 D HA -0.158 4.481 4.640 -0.001 0.000 0.195 534 D C 2.007 178.208 176.300 -0.166 0.000 0.997 534 D CA 1.677 55.637 54.000 -0.067 0.000 0.840 534 D CB -0.171 40.646 40.800 0.028 0.000 0.947 534 D HN 0.491 nan 8.370 nan 0.000 0.452 535 M N -0.637 118.904 119.600 -0.098 0.000 2.429 535 M HA 0.051 4.530 4.480 -0.001 0.000 0.265 535 M C 1.678 177.893 176.300 -0.142 0.000 1.120 535 M CA 0.379 55.617 55.300 -0.105 0.000 1.173 535 M CB -0.002 32.645 32.600 0.079 0.000 1.343 535 M HN -0.071 nan 8.290 nan 0.000 0.464 536 N N 0.907 119.550 118.700 -0.094 0.000 2.244 536 N HA -0.077 4.662 4.740 -0.001 0.000 0.183 536 N C 1.810 177.216 175.510 -0.174 0.000 1.016 536 N CA 1.485 54.477 53.050 -0.097 0.000 0.866 536 N CB -0.247 38.190 38.487 -0.084 0.000 0.980 536 N HN 0.408 nan 8.380 nan 0.000 0.430 537 G N 2.110 110.791 108.800 -0.197 0.000 2.459 537 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.217 537 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.217 537 G C 1.576 176.336 174.900 -0.235 0.000 1.183 537 G CA 0.626 45.611 45.100 -0.192 0.000 0.776 537 G HN 0.130 nan 8.290 nan 0.000 0.552 538 M N 1.171 120.546 119.600 -0.376 0.000 2.117 538 M HA 0.005 4.485 4.480 -0.001 0.000 0.262 538 M C 3.014 179.185 176.300 -0.215 0.000 1.065 538 M CA 1.347 56.373 55.300 -0.458 0.000 1.114 538 M CB -1.278 30.663 32.600 -1.098 0.000 1.361 538 M HN 0.332 nan 8.290 nan 0.000 0.408 539 A N -0.266 122.473 122.820 -0.136 0.000 1.972 539 A HA -0.056 4.264 4.320 -0.001 0.000 0.219 539 A C 2.450 180.029 177.584 -0.009 0.000 1.169 539 A CA 1.441 53.471 52.037 -0.010 0.000 0.635 539 A CB -0.848 18.169 19.000 0.028 0.000 0.810 539 A HN 0.304 nan 8.150 nan 0.000 0.446 540 V N 0.107 119.990 119.914 -0.051 0.000 2.427 540 V HA -0.237 3.883 4.120 -0.001 0.000 0.248 540 V C 2.524 178.594 176.094 -0.039 0.000 1.051 540 V CA 2.358 64.637 62.300 -0.036 0.000 1.048 540 V CB -0.562 31.222 31.823 -0.065 0.000 0.666 540 V HN 0.746 nan 8.190 nan 0.000 0.456 541 K N 0.471 120.826 120.400 -0.075 0.000 2.097 541 K HA -0.229 4.091 4.320 -0.001 0.000 0.205 541 K C 1.840 178.406 176.600 -0.055 0.000 1.050 541 K CA 1.930 58.167 56.287 -0.083 0.000 0.938 541 K CB -0.291 32.102 32.500 -0.177 0.000 0.718 541 K HN 0.494 nan 8.250 nan 0.000 0.442 542 D N -0.052 120.328 120.400 -0.033 0.000 2.117 542 D HA -0.104 4.535 4.640 -0.001 0.000 0.198 542 D C 1.678 177.986 176.300 0.014 0.000 0.982 542 D CA 1.480 55.486 54.000 0.010 0.000 0.828 542 D CB -0.069 40.772 40.800 0.068 0.000 0.967 542 D HN 0.330 nan 8.370 nan 0.000 0.464 543 A N -0.652 122.178 122.820 0.017 0.000 1.968 543 A HA -0.078 4.242 4.320 -0.001 0.000 0.217 543 A C 2.481 180.059 177.584 -0.011 0.000 1.169 543 A CA 1.207 53.251 52.037 0.012 0.000 0.638 543 A CB -0.750 18.262 19.000 0.021 0.000 0.812 543 A HN 0.492 nan 8.150 nan 0.000 0.446 544 C N -0.854 118.433 119.300 -0.021 0.000 2.500 544 C HA -0.019 4.440 4.460 -0.001 0.000 0.279 544 C C 2.513 177.470 174.990 -0.054 0.000 1.288 544 C CA 0.837 59.833 59.018 -0.037 0.000 1.710 544 C CB -1.193 26.525 27.740 -0.037 0.000 2.052 544 C HN 0.674 nan 8.230 nan 0.000 0.488 545 E N 0.544 120.716 120.200 -0.047 0.000 2.147 545 E HA -0.233 4.116 4.350 -0.001 0.000 0.199 545 E C 2.044 178.621 176.600 -0.037 0.000 1.005 545 E CA 1.917 58.288 56.400 -0.048 0.000 0.810 545 E CB -0.226 29.454 29.700 -0.034 0.000 0.736 545 E HN 0.630 nan 8.360 nan 0.000 0.460 546 T N 1.156 115.696 114.554 -0.023 0.000 2.737 546 T HA -0.102 4.248 4.350 -0.001 0.000 0.265 546 T C 1.956 176.639 174.700 -0.027 0.000 1.038 546 T CA 0.727 62.818 62.100 -0.015 0.000 1.144 546 T CB -0.200 68.665 68.868 -0.005 0.000 0.866 546 T HN 0.081 nan 8.240 nan 0.000 0.434 547 L N 0.651 121.852 121.223 -0.036 0.000 1.971 547 L HA -0.165 4.175 4.340 -0.001 0.000 0.215 547 L C 2.953 179.782 176.870 -0.069 0.000 1.072 547 L CA 1.581 56.396 54.840 -0.042 0.000 0.758 547 L CB -0.555 41.485 42.059 -0.032 0.000 0.889 547 L HN 0.149 nan 8.230 nan 0.000 0.433 548 R N 0.220 120.637 120.500 -0.138 0.000 2.117 548 R HA -0.178 4.162 4.340 -0.001 0.000 0.243 548 R C 2.163 178.388 176.300 -0.124 0.000 1.143 548 R CA 1.637 57.560 56.100 -0.295 0.000 0.968 548 R CB -0.550 29.510 30.300 -0.400 0.000 0.863 548 R HN 0.493 nan 8.270 nan 0.000 0.444 549 G N 0.434 109.203 108.800 -0.051 0.000 2.418 549 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.217 549 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.217 549 G C 1.510 176.436 174.900 0.043 0.000 1.158 549 G CA 0.508 45.615 45.100 0.012 0.000 0.771 549 G HN 0.328 nan 8.290 nan 0.000 0.545 550 R N -0.269 120.245 120.500 0.023 0.000 2.075 550 R HA 0.103 4.442 4.340 -0.001 0.000 0.232 550 R C 2.657 179.014 176.300 0.096 0.000 1.126 550 R CA 0.841 56.965 56.100 0.041 0.000 0.963 550 R CB -0.458 29.843 30.300 0.002 0.000 0.858 550 R HN 0.320 nan 8.270 nan 0.000 0.435 551 L N 0.130 121.412 121.223 0.099 0.000 2.046 551 L HA -0.184 4.155 4.340 -0.001 0.000 0.208 551 L C 2.689 179.747 176.870 0.313 0.000 1.077 551 L CA 1.307 56.273 54.840 0.209 0.000 0.747 551 L CB -0.643 41.573 42.059 0.261 0.000 0.896 551 L HN 0.267 nan 8.230 nan 0.000 0.432 552 A N 0.434 123.433 122.820 0.298 0.000 1.877 552 A HA -0.124 4.196 4.320 -0.001 0.000 0.216 552 A C 2.433 180.112 177.584 0.158 0.000 1.186 552 A CA 1.690 53.897 52.037 0.283 0.000 0.620 552 A CB -1.331 17.832 19.000 0.273 0.000 0.822 552 A HN 0.434 nan 8.150 nan 0.000 0.443 553 G N -1.030 107.852 108.800 0.137 0.000 2.469 553 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.219 553 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.219 553 G C 1.463 176.425 174.900 0.103 0.000 1.150 553 G CA 1.347 46.505 45.100 0.097 0.000 0.763 553 G HN 0.526 nan 8.290 nan 0.000 0.561 554 F N 1.208 121.153 119.950 -0.009 0.000 2.084 554 F HA -0.017 4.510 4.527 -0.001 0.000 0.296 554 F C 2.604 178.360 175.800 -0.073 0.000 1.111 554 F CA 1.364 59.337 58.000 -0.045 0.000 1.224 554 F CB -0.447 38.519 39.000 -0.058 0.000 0.991 554 F HN -0.010 nan 8.300 nan 0.000 0.471 555 V N 0.515 120.308 119.914 -0.202 0.000 2.759 555 V HA -0.201 3.918 4.120 -0.001 0.000 0.256 555 V C 2.523 178.448 176.094 -0.282 0.000 1.080 555 V CA 1.450 63.503 62.300 -0.411 0.000 1.101 555 V CB -1.256 30.426 31.823 -0.234 0.000 0.698 555 V HN 0.520 nan 8.190 nan 0.000 0.477 556 A N -0.252 122.481 122.820 -0.145 0.000 1.935 556 A HA 0.138 4.457 4.320 -0.001 0.000 0.214 556 A C 2.390 179.911 177.584 -0.106 0.000 1.178 556 A CA 1.385 53.372 52.037 -0.084 0.000 0.640 556 A CB -0.500 18.490 19.000 -0.018 0.000 0.825 556 A HN 0.498 nan 8.150 nan 0.000 0.447 557 A N -0.243 122.500 122.820 -0.127 0.000 1.898 557 A HA -0.131 4.189 4.320 -0.001 0.000 0.216 557 A C 2.278 179.762 177.584 -0.167 0.000 1.181 557 A CA 1.515 53.484 52.037 -0.113 0.000 0.620 557 A CB -0.520 18.430 19.000 -0.084 0.000 0.819 557 A HN 0.439 nan 8.150 nan 0.000 0.442 558 R N -0.132 120.182 120.500 -0.310 0.000 2.080 558 R HA -0.117 4.223 4.340 -0.001 0.000 0.236 558 R C 0.610 176.798 176.300 -0.188 0.000 1.137 558 R CA 1.634 57.537 56.100 -0.329 0.000 0.943 558 R CB -0.180 29.750 30.300 -0.617 0.000 0.846 558 R HN 0.436 nan 8.270 nan 0.000 0.431 559 E N -0.026 120.073 120.200 -0.168 0.000 2.368 559 E HA 0.103 4.453 4.350 -0.001 0.000 0.188 559 E C -0.033 176.547 176.600 -0.033 0.000 1.061 559 E CA 0.262 56.630 56.400 -0.053 0.000 0.933 559 E CB 0.178 29.892 29.700 0.023 0.000 1.091 559 E HN 0.501 nan 8.360 nan 0.000 0.458 560 G N 2.138 110.905 108.800 -0.054 0.000 2.479 560 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.200 560 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.200 560 G C 0.407 175.297 174.900 -0.017 0.000 0.183 560 G CA 0.656 45.736 45.100 -0.033 0.000 1.081 560 G HN 0.546 nan 8.290 nan 0.000 0.495 561 C N 0.314 119.605 119.300 -0.015 0.000 3.232 561 C HA 0.904 5.364 4.460 -0.001 0.000 0.315 561 C C 0.255 175.246 174.990 0.001 0.000 1.401 561 C CA -0.246 58.770 59.018 -0.002 0.000 1.142 561 C CB 0.901 28.645 27.740 0.007 0.000 1.559 561 C HN 2.577 nan 8.230 nan 0.000 0.408 562 A N 0.552 123.379 122.820 0.011 0.000 2.312 562 A HA 0.840 5.160 4.320 -0.001 0.000 0.326 562 A C 1.173 178.776 177.584 0.032 0.000 1.172 562 A CA 0.472 52.520 52.037 0.018 0.000 0.821 562 A CB 1.070 20.082 19.000 0.020 0.000 1.166 562 A HN 2.571 nan 8.150 nan 0.000 0.493 563 A N 2.046 124.890 122.820 0.040 0.000 1.873 563 A HA -0.225 4.095 4.320 -0.001 0.000 0.218 563 A C 1.959 179.595 177.584 0.086 0.000 1.193 563 A CA 2.039 54.116 52.037 0.066 0.000 0.629 563 A CB -0.619 18.422 19.000 0.068 0.000 0.826 563 A HN 1.015 nan 8.150 nan 0.000 0.447 564 R N -0.866 119.676 120.500 0.070 0.000 2.377 564 R HA -0.021 4.318 4.340 -0.001 0.000 0.207 564 R C -0.128 176.216 176.300 0.073 0.000 1.075 564 R CA 1.404 57.549 56.100 0.076 0.000 1.035 564 R CB -0.338 29.996 30.300 0.057 0.000 0.857 564 R HN 0.299 nan 8.270 nan 0.000 0.475 565 D N 0.446 120.884 120.400 0.063 0.000 2.398 565 D HA 0.106 4.746 4.640 -0.001 0.000 0.210 565 D C -0.235 176.095 176.300 0.049 0.000 1.094 565 D CA -0.006 54.024 54.000 0.051 0.000 0.839 565 D CB 0.762 41.583 40.800 0.035 0.000 0.963 565 D HN -0.017 nan 8.370 nan 0.000 0.506 566 V N 1.796 121.749 119.914 0.065 0.000 2.614 566 V HA 0.211 4.330 4.120 -0.001 0.000 0.291 566 V C 0.555 176.660 176.094 0.018 0.000 1.049 566 V CA -0.110 62.200 62.300 0.017 0.000 1.038 566 V CB 1.605 33.450 31.823 0.037 0.000 0.980 566 V HN -0.041 nan 8.190 nan 0.000 0.481 567 I N 4.657 125.168 120.570 -0.098 0.000 2.447 567 I HA 0.411 4.580 4.170 -0.001 0.000 0.287 567 I C -1.020 175.012 176.117 -0.142 0.000 1.023 567 I CA -0.225 61.069 61.300 -0.009 0.000 1.083 567 I CB 1.700 39.714 38.000 0.023 0.000 1.245 567 I HN 0.425 nan 8.210 nan 0.000 0.434 568 F N 5.135 125.150 119.950 0.110 0.000 2.391 568 F HA 0.449 4.976 4.527 -0.001 0.000 0.359 568 F C 0.212 176.065 175.800 0.088 0.000 1.122 568 F CA -0.207 57.871 58.000 0.130 0.000 1.120 568 F CB 0.737 39.822 39.000 0.141 0.000 1.142 568 F HN 0.343 nan 8.300 nan 0.000 0.483 569 D N 2.175 122.694 120.400 0.198 0.000 2.836 569 D HA 0.354 4.994 4.640 -0.001 0.000 0.215 569 D C -0.395 175.954 176.300 0.082 0.000 1.255 569 D CA -0.138 53.935 54.000 0.122 0.000 0.822 569 D CB 2.068 42.919 40.800 0.085 0.000 1.656 569 D HN 0.642 nan 8.370 nan 0.000 0.511 570 A N 2.083 124.932 122.820 0.049 0.000 2.745 570 A HA 0.028 4.347 4.320 -0.001 0.000 0.296 570 A C 1.372 178.980 177.584 0.041 0.000 1.500 570 A CA 2.094 54.146 52.037 0.026 0.000 0.766 570 A CB -2.188 16.824 19.000 0.020 0.000 1.030 570 A HN 1.874 nan 8.150 nan 0.000 0.489 571 G N -2.720 106.110 108.800 0.049 0.000 2.155 571 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.257 571 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.257 571 G C -0.117 174.886 174.900 0.171 0.000 0.983 571 G CA 0.995 46.145 45.100 0.083 0.000 0.676 571 G HN 1.467 nan 8.290 nan 0.000 0.528 572 Q N -0.616 119.276 119.800 0.154 0.000 2.377 572 Q HA 0.709 5.048 4.340 -0.001 0.000 0.271 572 Q C -0.391 175.683 176.000 0.124 0.000 1.077 572 Q CA -0.724 55.166 55.803 0.145 0.000 0.820 572 Q CB 2.766 31.551 28.738 0.078 0.000 1.347 572 Q HN 0.246 nan 8.270 nan 0.000 0.444 573 V N 1.563 121.549 119.914 0.120 0.000 2.581 573 V HA 0.453 4.573 4.120 -0.001 0.000 0.303 573 V C -0.621 175.527 176.094 0.089 0.000 1.041 573 V CA -0.599 61.674 62.300 -0.046 0.000 0.907 573 V CB 2.039 33.795 31.823 -0.111 0.000 0.994 573 V HN 0.681 nan 8.190 nan 0.000 0.442 574 Q N 1.913 121.704 119.800 -0.016 0.000 2.285 574 Q HA 0.798 5.138 4.340 -0.001 0.000 0.269 574 Q C -1.104 174.934 176.000 0.063 0.000 1.030 574 Q CA -0.307 55.519 55.803 0.039 0.000 0.788 574 Q CB 2.235 30.965 28.738 -0.012 0.000 1.266 574 Q HN 1.052 nan 8.270 nan 0.000 0.438 575 A N 1.283 124.180 122.820 0.127 0.000 2.594 575 A HA 0.554 4.874 4.320 -0.001 0.000 0.296 575 A C -0.297 177.342 177.584 0.092 0.000 1.056 575 A CA -0.271 51.834 52.037 0.114 0.000 0.693 575 A CB 1.205 20.284 19.000 0.131 0.000 1.278 575 A HN 0.800 nan 8.150 nan 0.000 0.408 576 S N 0.238 115.967 115.700 0.048 0.000 3.462 576 S HA -0.087 4.382 4.470 -0.001 0.000 0.370 576 S C 1.774 176.367 174.600 -0.012 0.000 1.028 576 S CA 2.052 60.266 58.200 0.024 0.000 1.119 576 S CB -1.598 61.627 63.200 0.042 0.000 0.906 576 S HN 2.844 nan 8.310 nan 0.000 0.471 577 G N -0.605 108.175 108.800 -0.034 0.000 2.189 577 G HA2 -0.366 3.594 3.960 -0.001 0.000 0.267 577 G HA3 -0.366 3.594 3.960 -0.001 0.000 0.267 577 G C 0.070 174.880 174.900 -0.151 0.000 0.975 577 G CA 1.097 46.153 45.100 -0.074 0.000 0.644 577 G HN 0.686 nan 8.290 nan 0.000 0.537 578 K N 0.126 120.390 120.400 -0.226 0.000 2.209 578 K HA 0.740 5.060 4.320 -0.001 0.000 0.238 578 K C 0.392 176.599 176.600 -0.654 0.000 1.028 578 K CA 0.102 56.084 56.287 -0.508 0.000 0.935 578 K CB 1.411 33.498 32.500 -0.688 0.000 1.162 578 K HN 0.623 nan 8.250 nan 0.000 0.485 579 S N -0.563 114.558 115.700 -0.964 0.000 2.537 579 S HA 0.577 5.046 4.470 -0.001 0.000 0.271 579 S C -1.689 172.508 174.600 -0.672 0.000 1.148 579 S CA -1.048 56.792 58.200 -0.599 0.000 0.868 579 S CB 0.911 63.955 63.200 -0.260 0.000 1.115 579 S HN 0.599 nan 8.310 nan 0.000 0.461 580 W N 0.829 122.116 121.300 -0.022 0.000 3.062 580 W HA 0.493 5.153 4.660 -0.001 0.000 0.336 580 W C -0.111 176.423 176.519 0.026 0.000 1.224 580 W CA -0.978 56.368 57.345 0.001 0.000 1.159 580 W CB 2.018 31.476 29.460 -0.003 0.000 1.454 580 W HN 0.638 nan 8.180 nan 0.000 0.569 581 R N 0.922 121.602 120.500 0.301 0.000 2.490 581 R HA 0.099 4.439 4.340 -0.001 0.000 0.280 581 R C 1.162 177.620 176.300 0.264 0.000 1.077 581 R CA -0.426 55.817 56.100 0.239 0.000 1.065 581 R CB 0.663 31.073 30.300 0.183 0.000 1.003 581 R HN 0.403 nan 8.270 nan 0.000 0.470 582 F N 2.784 122.815 119.950 0.136 0.000 2.063 582 F HA -0.373 4.153 4.527 -0.001 0.000 0.298 582 F C 2.152 178.019 175.800 0.111 0.000 1.105 582 F CA 2.421 60.506 58.000 0.140 0.000 1.215 582 F CB -0.279 38.805 39.000 0.140 0.000 0.972 582 F HN 0.714 nan 8.300 nan 0.000 0.483 583 A N -0.282 122.681 122.820 0.239 0.000 1.948 583 A HA -0.256 4.064 4.320 -0.001 0.000 0.220 583 A C 2.059 179.644 177.584 0.002 0.000 1.177 583 A CA 2.045 54.141 52.037 0.097 0.000 0.636 583 A CB -0.913 18.170 19.000 0.138 0.000 0.815 583 A HN 0.631 nan 8.150 nan 0.000 0.449 584 E N -0.346 119.883 120.200 0.049 0.000 2.072 584 E HA -0.139 4.211 4.350 -0.001 0.000 0.191 584 E C 1.833 178.397 176.600 -0.060 0.000 0.985 584 E CA 1.022 57.440 56.400 0.030 0.000 0.801 584 E CB -0.238 29.531 29.700 0.115 0.000 0.750 584 E HN 0.529 nan 8.360 nan 0.000 0.452 585 I N 0.983 121.483 120.570 -0.117 0.000 2.226 585 I HA -0.212 3.958 4.170 -0.001 0.000 0.245 585 I C 2.402 178.400 176.117 -0.198 0.000 1.100 585 I CA 1.050 62.255 61.300 -0.158 0.000 1.374 585 I CB -1.021 36.878 38.000 -0.169 0.000 1.057 585 I HN 0.018 nan 8.210 nan 0.000 0.413 586 V N 1.349 121.081 119.914 -0.302 0.000 2.343 586 V HA -0.257 3.863 4.120 -0.001 0.000 0.247 586 V C 2.829 178.832 176.094 -0.151 0.000 1.051 586 V CA 1.781 63.915 62.300 -0.276 0.000 1.036 586 V CB -1.084 30.570 31.823 -0.281 0.000 0.654 586 V HN 0.459 nan 8.190 nan 0.000 0.451 587 A N -0.018 122.752 122.820 -0.083 0.000 1.877 587 A HA -0.145 4.174 4.320 -0.001 0.000 0.216 587 A C 2.440 180.027 177.584 0.005 0.000 1.186 587 A CA 2.190 54.226 52.037 -0.001 0.000 0.620 587 A CB -0.837 18.175 19.000 0.020 0.000 0.822 587 A HN 0.575 nan 8.150 nan 0.000 0.443 588 A N -0.112 122.683 122.820 -0.042 0.000 1.877 588 A HA 0.128 4.448 4.320 -0.001 0.000 0.216 588 A C 2.527 179.899 177.584 -0.353 0.000 1.186 588 A CA 2.238 54.257 52.037 -0.031 0.000 0.620 588 A CB -1.110 18.005 19.000 0.191 0.000 0.822 588 A HN 1.139 nan 8.150 nan 0.000 0.443 589 A N -1.433 120.967 122.820 -0.700 0.000 1.940 589 A HA -0.147 4.173 4.320 -0.001 0.000 0.219 589 A C 2.141 179.467 177.584 -0.430 0.000 1.176 589 A CA 1.806 53.241 52.037 -1.003 0.000 0.631 589 A CB -0.810 17.733 19.000 -0.762 0.000 0.814 589 A HN 0.832 nan 8.150 nan 0.000 0.446 590 Y N -0.010 120.099 120.300 -0.319 0.000 2.163 590 Y HA -0.203 4.346 4.550 -0.001 0.000 0.288 590 Y C 2.241 178.051 175.900 -0.151 0.000 1.136 590 Y CA 2.063 60.047 58.100 -0.193 0.000 1.147 590 Y CB -0.282 38.103 38.460 -0.124 0.000 0.987 590 Y HN 0.211 nan 8.280 nan 0.000 0.509 591 M N 0.444 119.899 119.600 -0.242 0.000 2.195 591 M HA -0.179 4.301 4.480 -0.001 0.000 0.260 591 M C 2.222 178.369 176.300 -0.256 0.000 1.066 591 M CA 1.661 56.793 55.300 -0.280 0.000 1.089 591 M CB -1.837 30.717 32.600 -0.077 0.000 1.377 591 M HN 0.518 nan 8.290 nan 0.000 0.411 592 A N -0.725 121.956 122.820 -0.232 0.000 2.238 592 A HA 0.069 4.388 4.320 -0.001 0.000 0.208 592 A C 0.871 178.348 177.584 -0.179 0.000 1.177 592 A CA 0.048 51.998 52.037 -0.145 0.000 0.804 592 A CB -0.264 18.709 19.000 -0.045 0.000 0.823 592 A HN 0.570 nan 8.150 nan 0.000 0.482 593 R N -1.682 118.659 120.500 -0.266 0.000 3.305 593 R HA -0.117 4.223 4.340 -0.001 0.000 0.268 593 R C -1.191 175.020 176.300 -0.148 0.000 1.087 593 R CA 0.580 56.553 56.100 -0.211 0.000 0.725 593 R CB -2.180 28.025 30.300 -0.158 0.000 1.233 593 R HN 0.524 nan 8.270 nan 0.000 0.416 594 I N 0.624 121.088 120.570 -0.176 0.000 2.378 594 I HA 0.102 4.271 4.170 -0.001 0.000 0.291 594 I C 0.896 176.957 176.117 -0.093 0.000 0.992 594 I CA -0.348 60.872 61.300 -0.134 0.000 1.154 594 I CB 1.857 39.739 38.000 -0.197 0.000 1.315 594 I HN 0.131 nan 8.210 nan 0.000 0.448 595 S N 6.760 122.425 115.700 -0.058 0.000 2.575 595 S HA 0.085 4.555 4.470 -0.001 0.000 0.295 595 S C 0.342 174.913 174.600 -0.048 0.000 1.267 595 S CA 0.035 58.212 58.200 -0.039 0.000 1.074 595 S CB 0.070 63.251 63.200 -0.032 0.000 0.829 595 S HN 0.513 nan 8.310 nan 0.000 0.497 596 L N 4.739 125.935 121.223 -0.046 0.000 3.073 596 L HA 0.347 4.687 4.340 -0.001 0.000 0.242 596 L C 0.438 177.255 176.870 -0.089 0.000 1.317 596 L CA -0.307 54.491 54.840 -0.070 0.000 1.081 596 L CB 0.131 42.141 42.059 -0.081 0.000 1.456 596 L HN 0.585 nan 8.230 nan 0.000 0.525 597 S N 0.443 116.102 115.700 -0.067 0.000 2.541 597 S HA 0.910 5.379 4.470 -0.001 0.000 0.280 597 S C -0.980 173.594 174.600 -0.044 0.000 1.112 597 S CA -0.209 57.949 58.200 -0.071 0.000 0.925 597 S CB 2.018 65.178 63.200 -0.065 0.000 1.067 597 S HN 0.244 nan 8.310 nan 0.000 0.479 598 A N 2.230 125.029 122.820 -0.035 0.000 2.604 598 A HA 0.822 5.142 4.320 -0.001 0.000 0.295 598 A C -0.294 177.291 177.584 0.002 0.000 1.067 598 A CA -0.538 51.490 52.037 -0.014 0.000 0.683 598 A CB 1.208 20.200 19.000 -0.012 0.000 1.281 598 A HN 1.181 nan 8.150 nan 0.000 0.407 599 T N -0.977 113.588 114.554 0.018 0.000 2.950 599 T HA 0.882 5.231 4.350 -0.001 0.000 0.288 599 T C 0.215 174.955 174.700 0.066 0.000 1.035 599 T CA -0.215 61.911 62.100 0.044 0.000 1.028 599 T CB 1.885 70.780 68.868 0.046 0.000 1.109 599 T HN 1.920 nan 8.240 nan 0.000 0.514 600 G N -0.275 108.591 108.800 0.111 0.000 2.660 600 G HA2 0.694 4.654 3.960 -0.001 0.000 0.294 600 G HA3 0.694 4.654 3.960 -0.001 0.000 0.294 600 G C -2.157 172.909 174.900 0.277 0.000 1.369 600 G CA -0.906 44.282 45.100 0.146 0.000 0.912 600 G HN 0.810 nan 8.290 nan 0.000 0.479 601 F N 0.386 120.376 119.950 0.068 0.000 2.688 601 F HA 0.681 5.208 4.527 -0.001 0.000 0.308 601 F C -2.151 173.744 175.800 0.158 0.000 1.117 601 F CA -1.105 56.951 58.000 0.093 0.000 0.976 601 F CB 1.965 40.999 39.000 0.057 0.000 1.291 601 F HN 0.668 nan 8.300 nan 0.000 0.439 602 Y N 3.703 123.588 120.300 -0.692 0.000 2.534 602 Y HA 0.816 5.366 4.550 -0.001 0.000 0.345 602 Y C -1.822 173.673 175.900 -0.674 0.000 1.031 602 Y CA -0.740 57.076 58.100 -0.472 0.000 1.022 602 Y CB 2.080 40.394 38.460 -0.244 0.000 1.292 602 Y HN 0.900 nan 8.280 nan 0.000 0.459 603 A N 3.592 125.748 122.820 -1.106 0.000 2.357 603 A HA 0.559 4.879 4.320 -0.001 0.000 0.295 603 A C -0.872 176.162 177.584 -0.916 0.000 1.121 603 A CA -0.698 50.910 52.037 -0.716 0.000 0.742 603 A CB 0.600 19.437 19.000 -0.272 0.000 1.181 603 A HN 0.710 nan 8.150 nan 0.000 0.454 604 T N 5.184 119.399 114.554 -0.564 0.000 2.888 604 T HA 0.418 4.767 4.350 -0.001 0.000 0.301 604 T C -1.932 172.651 174.700 -0.195 0.000 1.001 604 T CA -0.168 61.746 62.100 -0.310 0.000 1.147 604 T CB 0.301 69.174 68.868 0.008 0.000 0.931 604 T HN 0.626 nan 8.240 nan 0.000 0.541 605 P HA 0.397 nan 4.420 nan 0.000 0.284 605 P C -0.164 177.131 177.300 -0.009 0.000 1.287 605 P CA -0.724 62.339 63.100 -0.062 0.000 0.824 605 P CB 0.799 32.475 31.700 -0.040 0.000 1.180 606 K N -2.082 118.318 120.400 -0.000 0.000 3.472 606 K HA -0.137 4.183 4.320 -0.001 0.000 0.315 606 K C -0.068 176.538 176.600 0.011 0.000 1.320 606 K CA 0.725 57.020 56.287 0.012 0.000 0.962 606 K CB -2.077 30.437 32.500 0.023 0.000 1.251 606 K HN 0.410 nan 8.250 nan 0.000 0.443 607 L N 1.214 122.442 121.223 0.007 0.000 2.312 607 L HA 0.464 4.803 4.340 -0.001 0.000 0.281 607 L C 0.252 177.150 176.870 0.047 0.000 1.070 607 L CA -0.478 54.367 54.840 0.008 0.000 0.805 607 L CB 1.774 43.833 42.059 0.000 0.000 1.174 607 L HN 0.122 nan 8.230 nan 0.000 0.434 608 S N 3.869 119.618 115.700 0.082 0.000 2.581 608 S HA 0.555 5.025 4.470 -0.001 0.000 0.306 608 S C -2.057 172.689 174.600 0.243 0.000 1.080 608 S CA -0.723 57.557 58.200 0.133 0.000 0.925 608 S CB 0.792 64.034 63.200 0.070 0.000 1.128 608 S HN 0.685 nan 8.310 nan 0.000 0.451 609 W N 3.719 124.965 121.300 -0.090 0.000 3.161 609 W HA 0.556 5.216 4.660 -0.001 0.000 0.314 609 W C -2.485 173.970 176.519 -0.106 0.000 1.245 609 W CA -0.689 56.585 57.345 -0.118 0.000 1.191 609 W CB 0.394 29.742 29.460 -0.187 0.000 1.392 609 W HN 0.615 nan 8.180 nan 0.000 0.568 610 D N 2.795 122.929 120.400 -0.445 0.000 2.414 610 D HA 0.314 4.954 4.640 -0.001 0.000 0.232 610 D C 1.259 176.999 176.300 -0.933 0.000 1.070 610 D CA -0.281 53.336 54.000 -0.637 0.000 0.839 610 D CB 1.613 42.228 40.800 -0.309 0.000 1.079 610 D HN 0.475 nan 8.370 nan 0.000 0.521 611 R N 2.865 122.650 120.500 -1.191 0.000 2.122 611 R HA -0.149 4.190 4.340 -0.001 0.000 0.236 611 R C 1.868 178.026 176.300 -0.237 0.000 1.129 611 R CA 1.478 57.055 56.100 -0.872 0.000 0.925 611 R CB -0.185 29.847 30.300 -0.445 0.000 0.850 611 R HN 0.545 nan 8.270 nan 0.000 0.431 612 L N -0.262 120.870 121.223 -0.152 0.000 2.079 612 L HA -0.189 4.150 4.340 -0.001 0.000 0.210 612 L C 2.605 179.486 176.870 0.019 0.000 1.081 612 L CA 1.433 56.286 54.840 0.021 0.000 0.752 612 L CB -0.383 41.665 42.059 -0.018 0.000 0.896 612 L HN 0.241 nan 8.230 nan 0.000 0.433 613 R N -0.168 120.244 120.500 -0.146 0.000 2.200 613 R HA 0.066 4.406 4.340 -0.001 0.000 0.208 613 R C 1.110 177.182 176.300 -0.380 0.000 1.033 613 R CA 0.597 56.603 56.100 -0.156 0.000 1.000 613 R CB 0.022 30.241 30.300 -0.136 0.000 0.906 613 R HN 0.454 nan 8.270 nan 0.000 0.462 614 G N 1.812 110.207 108.800 -0.676 0.000 2.295 614 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.287 614 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.287 614 G C -0.316 174.268 174.900 -0.527 0.000 1.055 614 G CA 0.162 44.496 45.100 -1.277 0.000 0.922 614 G HN 0.192 nan 8.290 nan 0.000 0.503 615 Q N -0.940 118.721 119.800 -0.231 0.000 2.372 615 Q HA 0.756 5.096 4.340 -0.001 0.000 0.273 615 Q C 0.457 176.516 176.000 0.099 0.000 1.078 615 Q CA 0.302 56.083 55.803 -0.037 0.000 0.806 615 Q CB 2.268 30.974 28.738 -0.053 0.000 1.332 615 Q HN 1.558 nan 8.270 nan 0.000 0.435 616 G N 1.188 110.081 108.800 0.154 0.000 2.302 616 G HA2 -0.029 3.931 3.960 -0.001 0.000 0.276 616 G HA3 -0.029 3.931 3.960 -0.001 0.000 0.276 616 G C -1.453 173.536 174.900 0.148 0.000 1.316 616 G CA -0.930 44.274 45.100 0.173 0.000 0.988 616 G HN 0.340 nan 8.290 nan 0.000 0.479 617 R N 1.693 122.246 120.500 0.089 0.000 2.402 617 R HA 0.390 4.730 4.340 -0.001 0.000 0.290 617 R C -1.820 174.351 176.300 -0.214 0.000 1.321 617 R CA -1.634 54.453 56.100 -0.021 0.000 1.283 617 R CB 1.555 31.857 30.300 0.004 0.000 1.111 617 R HN 0.335 nan 8.270 nan 0.000 0.578 618 P HA 0.000 nan 4.420 nan 0.000 0.240 618 P C -0.342 176.397 177.300 -0.934 0.000 1.190 618 P CA 0.533 62.945 63.100 -1.146 0.000 0.781 618 P CB 0.348 30.636 31.700 -2.354 0.000 0.931 619 F N -0.883 118.835 119.950 -0.387 0.000 2.561 619 F HA 0.268 4.794 4.527 -0.001 0.000 0.321 619 F C 1.476 177.062 175.800 -0.356 0.000 1.065 619 F CA -1.252 56.471 58.000 -0.461 0.000 0.934 619 F CB 1.586 40.139 39.000 -0.745 0.000 1.215 619 F HN -0.337 nan 8.300 nan 0.000 0.471 620 L N 2.452 123.617 121.223 -0.096 0.000 2.162 620 L HA 0.150 4.490 4.340 -0.001 0.000 0.205 620 L C -0.449 176.461 176.870 0.065 0.000 1.086 620 L CA 1.392 56.249 54.840 0.028 0.000 0.778 620 L CB -0.421 41.748 42.059 0.183 0.000 0.928 620 L HN 0.636 nan 8.230 nan 0.000 0.446 621 Y N -4.445 115.700 120.300 -0.258 0.000 2.750 621 Y HA 0.577 5.127 4.550 -0.001 0.000 0.335 621 Y C -1.456 174.111 175.900 -0.555 0.000 1.252 621 Y CA -2.407 55.519 58.100 -0.291 0.000 1.064 621 Y CB 0.156 38.562 38.460 -0.089 0.000 1.321 621 Y HN -0.184 nan 8.280 nan 0.000 0.451 622 F N 1.270 121.211 119.950 -0.015 0.000 2.522 622 F HA 0.862 5.388 4.527 -0.001 0.000 0.324 622 F C 0.291 175.944 175.800 -0.245 0.000 1.077 622 F CA -0.810 56.997 58.000 -0.322 0.000 0.944 622 F CB 2.179 40.890 39.000 -0.482 0.000 1.175 622 F HN 0.818 nan 8.300 nan 0.000 0.468 623 A N 2.229 124.974 122.820 -0.125 0.000 2.303 623 A HA 0.770 5.090 4.320 -0.001 0.000 0.317 623 A C -1.712 175.660 177.584 -0.353 0.000 1.149 623 A CA -0.352 51.634 52.037 -0.085 0.000 0.822 623 A CB 0.434 19.446 19.000 0.019 0.000 1.131 623 A HN 0.733 nan 8.150 nan 0.000 0.493 624 Y N -0.309 119.930 120.300 -0.102 0.000 2.602 624 Y HA 0.710 5.260 4.550 -0.001 0.000 0.342 624 Y C 0.756 176.523 175.900 -0.222 0.000 1.029 624 Y CA 0.072 58.078 58.100 -0.156 0.000 1.080 624 Y CB 2.826 41.132 38.460 -0.256 0.000 1.284 624 Y HN 1.079 nan 8.280 nan 0.000 0.485 625 G N -0.234 108.637 108.800 0.118 0.000 2.466 625 G HA2 0.678 4.637 3.960 -0.001 0.000 0.291 625 G HA3 0.678 4.637 3.960 -0.001 0.000 0.291 625 G C -2.241 172.711 174.900 0.086 0.000 1.460 625 G CA -0.263 44.969 45.100 0.220 0.000 0.791 625 G HN 0.895 nan 8.290 nan 0.000 0.505 626 A N -1.185 121.678 122.820 0.073 0.000 2.594 626 A HA 1.056 5.376 4.320 -0.001 0.000 0.295 626 A C -0.529 177.079 177.584 0.041 0.000 1.071 626 A CA 0.166 52.221 52.037 0.031 0.000 0.685 626 A CB 1.497 20.478 19.000 -0.031 0.000 1.285 626 A HN 2.505 nan 8.150 nan 0.000 0.405 627 A N 0.957 123.801 122.820 0.041 0.000 2.449 627 A HA 0.810 5.129 4.320 -0.001 0.000 0.302 627 A C -1.145 176.435 177.584 -0.008 0.000 1.048 627 A CA -0.344 51.712 52.037 0.032 0.000 0.708 627 A CB 0.921 19.991 19.000 0.116 0.000 1.274 627 A HN 0.828 nan 8.150 nan 0.000 0.410 628 I N 1.964 122.503 120.570 -0.051 0.000 2.410 628 I HA 0.370 4.540 4.170 -0.001 0.000 0.286 628 I C -0.317 175.790 176.117 -0.017 0.000 1.009 628 I CA -0.070 61.180 61.300 -0.084 0.000 1.111 628 I CB 2.209 40.097 38.000 -0.188 0.000 1.262 628 I HN 0.599 nan 8.210 nan 0.000 0.443 629 T N 5.307 119.883 114.554 0.036 0.000 2.855 629 T HA 0.353 4.702 4.350 -0.001 0.000 0.281 629 T C -0.653 174.071 174.700 0.041 0.000 1.007 629 T CA -0.601 61.528 62.100 0.048 0.000 1.009 629 T CB 1.967 70.902 68.868 0.112 0.000 0.983 629 T HN 0.556 nan 8.240 nan 0.000 0.455 630 E N 2.160 122.364 120.200 0.005 0.000 2.210 630 E HA 0.631 4.980 4.350 -0.001 0.000 0.266 630 E C -1.047 175.523 176.600 -0.050 0.000 0.883 630 E CA -0.822 55.567 56.400 -0.017 0.000 0.761 630 E CB 1.342 31.023 29.700 -0.032 0.000 1.156 630 E HN 0.498 nan 8.360 nan 0.000 0.412 631 V N 0.707 120.583 119.914 -0.063 0.000 3.160 631 V HA 0.794 4.913 4.120 -0.001 0.000 0.310 631 V C -0.710 175.324 176.094 -0.100 0.000 1.181 631 V CA -0.823 61.430 62.300 -0.077 0.000 1.047 631 V CB 1.551 33.336 31.823 -0.064 0.000 1.068 631 V HN 0.475 nan 8.190 nan 0.000 0.441 632 V N 0.686 120.546 119.914 -0.090 0.000 2.656 632 V HA 0.804 4.924 4.120 -0.001 0.000 0.307 632 V C -0.243 175.827 176.094 -0.040 0.000 1.051 632 V CA -0.536 61.720 62.300 -0.074 0.000 0.893 632 V CB 1.107 32.888 31.823 -0.070 0.000 0.999 632 V HN 1.256 nan 8.190 nan 0.000 0.426 633 I N -0.144 120.414 120.570 -0.020 0.000 2.693 633 I HA 0.797 4.966 4.170 -0.001 0.000 0.303 633 I C -0.904 175.217 176.117 0.006 0.000 1.025 633 I CA -0.540 60.747 61.300 -0.021 0.000 1.086 633 I CB 2.202 40.174 38.000 -0.047 0.000 1.268 633 I HN 0.653 nan 8.210 nan 0.000 0.440 634 D N 3.592 123.989 120.400 -0.005 0.000 2.467 634 D HA 0.273 4.913 4.640 -0.001 0.000 0.220 634 D C 0.858 177.151 176.300 -0.011 0.000 1.103 634 D CA -0.467 53.534 54.000 0.002 0.000 0.886 634 D CB 0.868 41.667 40.800 -0.001 0.000 1.025 634 D HN 0.498 nan 8.370 nan 0.000 0.514 635 R N 2.542 123.037 120.500 -0.010 0.000 2.276 635 R HA -0.115 4.224 4.340 -0.001 0.000 0.243 635 R C 1.309 177.596 176.300 -0.022 0.000 1.161 635 R CA 0.843 56.930 56.100 -0.021 0.000 1.007 635 R CB 0.032 30.320 30.300 -0.020 0.000 0.867 635 R HN 0.579 nan 8.270 nan 0.000 0.472 636 L N -0.911 120.302 121.223 -0.017 0.000 2.130 636 L HA -0.056 4.284 4.340 -0.001 0.000 0.200 636 L C 2.316 179.175 176.870 -0.019 0.000 1.075 636 L CA 1.623 56.453 54.840 -0.017 0.000 0.768 636 L CB -0.372 41.679 42.059 -0.014 0.000 0.933 636 L HN 0.260 nan 8.230 nan 0.000 0.451 637 T N -4.974 109.569 114.554 -0.019 0.000 2.990 637 T HA 0.297 4.647 4.350 -0.001 0.000 0.250 637 T C 1.410 176.094 174.700 -0.027 0.000 1.041 637 T CA 0.571 62.658 62.100 -0.021 0.000 1.010 637 T CB 1.068 69.925 68.868 -0.018 0.000 1.003 637 T HN 0.428 nan 8.240 nan 0.000 0.499 638 G N 1.328 110.110 108.800 -0.030 0.000 2.217 638 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.246 638 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.246 638 G C -0.052 174.824 174.900 -0.039 0.000 0.990 638 G CA 0.078 45.155 45.100 -0.039 0.000 0.627 638 G HN 0.671 nan 8.290 nan 0.000 0.522 639 E N 0.894 121.075 120.200 -0.031 0.000 2.521 639 E HA 0.314 4.664 4.350 -0.001 0.000 0.270 639 E C 0.652 177.233 176.600 -0.032 0.000 1.082 639 E CA 1.541 57.923 56.400 -0.030 0.000 0.997 639 E CB 0.128 29.816 29.700 -0.021 0.000 0.990 639 E HN 0.934 nan 8.360 nan 0.000 0.458 640 N N -0.326 118.353 118.700 -0.035 0.000 3.951 640 N HA 0.328 5.067 4.740 -0.001 0.000 0.222 640 N C -1.748 173.736 175.510 -0.044 0.000 1.352 640 N CA -1.022 52.004 53.050 -0.040 0.000 0.852 640 N CB 0.891 39.346 38.487 -0.053 0.000 1.444 640 N HN 0.510 nan 8.380 nan 0.000 0.473 641 R N -0.308 120.164 120.500 -0.048 0.000 2.712 641 R HA 0.508 4.847 4.340 -0.001 0.000 0.272 641 R C -1.694 174.571 176.300 -0.058 0.000 1.032 641 R CA -1.033 55.037 56.100 -0.050 0.000 0.874 641 R CB 0.759 31.035 30.300 -0.039 0.000 1.256 641 R HN 0.500 nan 8.270 nan 0.000 0.468 642 I N 2.783 123.317 120.570 -0.060 0.000 2.337 642 I HA 0.084 4.254 4.170 -0.001 0.000 0.291 642 I C 1.271 177.343 176.117 -0.074 0.000 1.046 642 I CA -0.418 60.844 61.300 -0.064 0.000 1.324 642 I CB 1.152 39.116 38.000 -0.060 0.000 1.409 642 I HN 0.527 nan 8.210 nan 0.000 0.494 643 L N 5.756 126.932 121.223 -0.078 0.000 2.084 643 L HA 0.167 4.506 4.340 -0.001 0.000 0.202 643 L C 1.099 177.921 176.870 -0.080 0.000 1.074 643 L CA 0.797 55.588 54.840 -0.082 0.000 0.757 643 L CB -0.063 41.933 42.059 -0.105 0.000 0.918 643 L HN 0.579 nan 8.230 nan 0.000 0.444 644 R N -0.975 119.474 120.500 -0.084 0.000 2.643 644 R HA 0.404 4.744 4.340 -0.001 0.000 0.269 644 R C -1.714 174.524 176.300 -0.104 0.000 1.037 644 R CA -0.363 55.685 56.100 -0.086 0.000 0.894 644 R CB 2.240 32.510 30.300 -0.050 0.000 1.238 644 R HN -0.178 nan 8.270 nan 0.000 0.459 645 T N 1.926 116.388 114.554 -0.153 0.000 2.912 645 T HA 0.398 4.747 4.350 -0.001 0.000 0.299 645 T C -1.688 172.956 174.700 -0.094 0.000 1.052 645 T CA -0.647 61.334 62.100 -0.197 0.000 0.996 645 T CB 1.775 70.300 68.868 -0.573 0.000 1.070 645 T HN 0.550 nan 8.240 nan 0.000 0.465 646 D N 1.301 121.655 120.400 -0.076 0.000 2.787 646 D HA 0.652 5.292 4.640 -0.001 0.000 0.246 646 D C -0.776 175.500 176.300 -0.040 0.000 1.150 646 D CA -0.320 53.665 54.000 -0.025 0.000 0.864 646 D CB 1.585 42.379 40.800 -0.010 0.000 1.481 646 D HN 0.349 nan 8.370 nan 0.000 0.509 647 I N 1.805 122.365 120.570 -0.016 0.000 2.647 647 I HA 0.425 4.595 4.170 -0.001 0.000 0.295 647 I C -1.454 174.689 176.117 0.043 0.000 1.078 647 I CA -1.128 60.171 61.300 -0.001 0.000 1.048 647 I CB 2.165 40.154 38.000 -0.019 0.000 1.239 647 I HN 0.114 nan 8.210 nan 0.000 0.421 648 L N 6.059 127.326 121.223 0.073 0.000 2.377 648 L HA 0.526 4.866 4.340 -0.001 0.000 0.270 648 L C -1.214 175.761 176.870 0.174 0.000 0.991 648 L CA -0.083 54.829 54.840 0.120 0.000 0.851 648 L CB 0.826 42.947 42.059 0.104 0.000 1.218 648 L HN 0.523 nan 8.230 nan 0.000 0.420 649 H N 1.811 120.929 119.070 0.079 0.000 2.679 649 H HA 0.560 5.116 4.556 -0.001 0.000 0.367 649 H C -1.332 174.082 175.328 0.144 0.000 1.162 649 H CA -0.597 55.498 56.048 0.078 0.000 1.181 649 H CB 1.765 31.565 29.762 0.063 0.000 1.693 649 H HN 0.635 nan 8.280 nan 0.000 0.538 650 D N 2.373 122.460 120.400 -0.521 0.000 2.454 650 D HA 0.354 4.994 4.640 -0.001 0.000 0.225 650 D C -0.585 175.627 176.300 -0.147 0.000 1.081 650 D CA -0.375 53.535 54.000 -0.150 0.000 0.864 650 D CB 0.458 41.193 40.800 -0.108 0.000 1.040 650 D HN 0.594 nan 8.370 nan 0.000 0.517 651 A N 3.392 126.235 122.820 0.038 0.000 2.708 651 A HA 0.654 4.973 4.320 -0.001 0.000 0.293 651 A C 1.282 178.904 177.584 0.064 0.000 1.303 651 A CA 0.152 52.228 52.037 0.065 0.000 0.949 651 A CB -0.656 18.406 19.000 0.104 0.000 1.121 651 A HN 0.909 nan 8.150 nan 0.000 0.542 652 G N 0.079 108.929 108.800 0.083 0.000 2.578 652 G HA2 0.117 4.076 3.960 -0.001 0.000 0.275 652 G HA3 0.117 4.076 3.960 -0.001 0.000 0.275 652 G C 0.538 175.453 174.900 0.026 0.000 1.271 652 G CA 0.024 45.153 45.100 0.048 0.000 0.941 652 G HN 1.872 nan 8.290 nan 0.000 0.564 653 A N -0.107 122.714 122.820 0.002 0.000 2.376 653 A HA 0.655 4.975 4.320 -0.001 0.000 0.298 653 A C 0.945 178.530 177.584 0.001 0.000 1.271 653 A CA 1.387 53.419 52.037 -0.007 0.000 0.926 653 A CB 0.018 19.014 19.000 -0.007 0.000 1.141 653 A HN 2.281 nan 8.150 nan 0.000 0.539 654 S N 1.946 117.648 115.700 0.003 0.000 2.559 654 S HA 0.120 4.590 4.470 -0.001 0.000 0.282 654 S C 1.144 175.738 174.600 -0.010 0.000 1.336 654 S CA -0.124 58.081 58.200 0.008 0.000 1.037 654 S CB 0.039 63.246 63.200 0.012 0.000 0.853 654 S HN 0.564 nan 8.310 nan 0.000 0.523 655 L N 2.190 123.409 121.223 -0.006 0.000 2.375 655 L HA 0.284 4.623 4.340 -0.001 0.000 0.215 655 L C 0.826 177.672 176.870 -0.040 0.000 1.108 655 L CA 0.168 54.991 54.840 -0.028 0.000 0.830 655 L CB -0.212 41.843 42.059 -0.006 0.000 0.959 655 L HN 0.651 nan 8.230 nan 0.000 0.457 656 N N -0.736 117.952 118.700 -0.019 0.000 2.875 656 N HA 0.124 4.864 4.740 -0.001 0.000 0.253 656 N C -2.479 173.030 175.510 -0.002 0.000 1.296 656 N CA -1.106 51.933 53.050 -0.018 0.000 0.816 656 N CB 1.384 39.860 38.487 -0.018 0.000 1.504 656 N HN -0.291 nan 8.380 nan 0.000 0.582 657 P HA 0.018 nan 4.420 nan 0.000 0.220 657 P C 1.023 178.326 177.300 0.004 0.000 1.148 657 P CA 0.979 64.081 63.100 0.004 0.000 0.803 657 P CB 0.379 32.076 31.700 -0.005 0.000 0.782 658 A N -0.189 122.631 122.820 0.001 0.000 1.873 658 A HA -0.115 4.204 4.320 -0.001 0.000 0.215 658 A C 2.194 179.787 177.584 0.015 0.000 1.186 658 A CA 1.256 53.295 52.037 0.003 0.000 0.616 658 A CB -1.567 17.436 19.000 0.006 0.000 0.823 658 A HN 0.100 nan 8.150 nan 0.000 0.442 659 L N -0.467 120.771 121.223 0.025 0.000 2.083 659 L HA -0.179 4.161 4.340 -0.001 0.000 0.209 659 L C 2.014 178.906 176.870 0.037 0.000 1.083 659 L CA 1.346 56.212 54.840 0.042 0.000 0.752 659 L CB -0.710 41.377 42.059 0.047 0.000 0.899 659 L HN 0.298 nan 8.230 nan 0.000 0.433 660 D N 0.188 120.606 120.400 0.032 0.000 2.117 660 D HA -0.151 4.489 4.640 -0.001 0.000 0.198 660 D C 2.277 178.597 176.300 0.032 0.000 0.982 660 D CA 0.996 55.022 54.000 0.043 0.000 0.828 660 D CB 0.007 40.841 40.800 0.056 0.000 0.967 660 D HN 0.124 nan 8.370 nan 0.000 0.464 661 I N 1.013 121.591 120.570 0.012 0.000 2.208 661 I HA -0.158 4.012 4.170 -0.001 0.000 0.245 661 I C 2.441 178.536 176.117 -0.036 0.000 1.097 661 I CA 1.257 62.545 61.300 -0.020 0.000 1.363 661 I CB -1.451 36.525 38.000 -0.040 0.000 1.051 661 I HN 0.009 nan 8.210 nan 0.000 0.413 662 G N -0.256 108.536 108.800 -0.014 0.000 2.498 662 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.219 662 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.219 662 G C 1.589 176.501 174.900 0.021 0.000 1.119 662 G CA 0.281 45.378 45.100 -0.005 0.000 0.766 662 G HN 0.356 nan 8.290 nan 0.000 0.552 663 Q N -0.260 119.557 119.800 0.028 0.000 2.226 663 Q HA 0.198 4.537 4.340 -0.001 0.000 0.199 663 Q C 2.748 178.768 176.000 0.034 0.000 0.945 663 Q CA 0.189 56.021 55.803 0.048 0.000 0.861 663 Q CB -0.036 28.730 28.738 0.047 0.000 0.953 663 Q HN 0.543 nan 8.270 nan 0.000 0.490 664 I N 1.213 121.781 120.570 -0.003 0.000 2.264 664 I HA -0.283 3.887 4.170 -0.001 0.000 0.248 664 I C 2.015 178.142 176.117 0.017 0.000 1.111 664 I CA 1.247 62.522 61.300 -0.041 0.000 1.382 664 I CB -0.119 37.838 38.000 -0.070 0.000 1.060 664 I HN 0.240 nan 8.210 nan 0.000 0.418 665 E N 0.744 120.929 120.200 -0.025 0.000 2.015 665 E HA -0.143 4.206 4.350 -0.001 0.000 0.191 665 E C 2.358 179.053 176.600 0.158 0.000 0.991 665 E CA 1.224 57.613 56.400 -0.019 0.000 0.802 665 E CB -0.451 29.106 29.700 -0.238 0.000 0.759 665 E HN 0.553 nan 8.360 nan 0.000 0.447 666 G N 1.013 109.875 108.800 0.103 0.000 2.450 666 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.220 666 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.220 666 G C 1.623 176.616 174.900 0.154 0.000 1.130 666 G CA 0.939 46.117 45.100 0.131 0.000 0.760 666 G HN 0.331 nan 8.290 nan 0.000 0.557 667 A N -0.171 122.742 122.820 0.155 0.000 1.898 667 A HA 0.105 4.424 4.320 -0.001 0.000 0.214 667 A C 2.123 179.754 177.584 0.080 0.000 1.183 667 A CA 1.454 53.590 52.037 0.166 0.000 0.622 667 A CB -0.613 18.477 19.000 0.149 0.000 0.824 667 A HN 0.432 nan 8.150 nan 0.000 0.444 668 Y N 0.825 121.128 120.300 0.005 0.000 2.070 668 Y HA -0.234 4.316 4.550 -0.001 0.000 0.280 668 Y C 2.330 178.191 175.900 -0.064 0.000 1.148 668 Y CA 2.260 60.340 58.100 -0.034 0.000 1.125 668 Y CB -0.542 37.972 38.460 0.089 0.000 0.975 668 Y HN 0.048 nan 8.280 nan 0.000 0.492 669 V N 0.849 120.873 119.914 0.182 0.000 2.370 669 V HA -0.398 3.721 4.120 -0.001 0.000 0.252 669 V C 2.402 178.427 176.094 -0.115 0.000 1.068 669 V CA 2.471 64.785 62.300 0.024 0.000 1.061 669 V CB -0.758 31.128 31.823 0.105 0.000 0.656 669 V HN 0.546 nan 8.190 nan 0.000 0.455 670 Q N -0.693 119.062 119.800 -0.075 0.000 2.230 670 Q HA -0.087 4.253 4.340 -0.001 0.000 0.202 670 Q C 2.243 178.092 176.000 -0.252 0.000 0.963 670 Q CA 1.325 57.097 55.803 -0.053 0.000 0.866 670 Q CB -0.215 28.599 28.738 0.127 0.000 0.931 670 Q HN 0.718 nan 8.270 nan 0.000 0.452 671 G N 0.095 108.500 108.800 -0.658 0.000 2.394 671 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.214 671 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.214 671 G C 1.400 176.066 174.900 -0.389 0.000 1.176 671 G CA 0.678 45.167 45.100 -1.019 0.000 0.786 671 G HN 0.427 nan 8.290 nan 0.000 0.533 672 A N 0.872 123.416 122.820 -0.459 0.000 1.933 672 A HA 0.178 4.498 4.320 -0.001 0.000 0.218 672 A C 2.640 180.105 177.584 -0.198 0.000 1.175 672 A CA 1.953 53.774 52.037 -0.360 0.000 0.628 672 A CB -0.920 17.781 19.000 -0.498 0.000 0.814 672 A HN 0.517 nan 8.150 nan 0.000 0.444 673 G N -1.961 106.742 108.800 -0.162 0.000 2.471 673 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.219 673 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.219 673 G C 1.263 176.152 174.900 -0.018 0.000 1.125 673 G CA 0.976 46.016 45.100 -0.101 0.000 0.775 673 G HN 0.694 nan 8.290 nan 0.000 0.548 674 W N 0.861 122.024 121.300 -0.228 0.000 2.436 674 W HA 0.195 4.855 4.660 -0.001 0.000 0.284 674 W C 1.379 177.806 176.519 -0.154 0.000 1.225 674 W CA 0.586 57.822 57.345 -0.183 0.000 1.271 674 W CB -0.081 29.272 29.460 -0.179 0.000 1.114 674 W HN 0.076 nan 8.180 nan 0.000 0.559 675 L N 1.117 122.196 121.223 -0.239 0.000 2.965 675 L HA 0.223 4.562 4.340 -0.001 0.000 0.254 675 L C 1.274 178.065 176.870 -0.133 0.000 1.220 675 L CA 0.732 55.339 54.840 -0.388 0.000 1.023 675 L CB -0.536 41.267 42.059 -0.426 0.000 1.355 675 L HN 0.003 nan 8.230 nan 0.000 0.545 676 T N -6.155 108.328 114.554 -0.119 0.000 3.451 676 T HA -0.042 4.308 4.350 -0.001 0.000 0.201 676 T C 1.450 176.088 174.700 -0.103 0.000 0.965 676 T CA 0.747 62.796 62.100 -0.085 0.000 1.088 676 T CB -0.058 68.756 68.868 -0.090 0.000 1.251 676 T HN 0.038 nan 8.240 nan 0.000 0.325 677 T N -0.217 114.259 114.554 -0.131 0.000 3.044 677 T HA 0.300 4.650 4.350 -0.001 0.000 0.250 677 T C 0.439 175.003 174.700 -0.227 0.000 1.081 677 T CA -0.118 61.886 62.100 -0.160 0.000 1.040 677 T CB -0.417 68.348 68.868 -0.171 0.000 0.962 677 T HN 0.480 nan 8.240 nan 0.000 0.506 678 E N 1.928 121.998 120.200 -0.217 0.000 2.217 678 E HA 0.310 4.660 4.350 -0.001 0.000 0.279 678 E C -0.443 176.100 176.600 -0.095 0.000 1.068 678 E CA -0.059 56.164 56.400 -0.296 0.000 0.882 678 E CB 0.605 30.225 29.700 -0.133 0.000 1.039 678 E HN 0.557 nan 8.360 nan 0.000 0.418 679 E N 4.415 124.571 120.200 -0.074 0.000 2.263 679 E HA 0.271 4.621 4.350 -0.001 0.000 0.268 679 E C -1.445 175.239 176.600 0.141 0.000 0.884 679 E CA -0.558 55.874 56.400 0.053 0.000 0.766 679 E CB 0.983 30.673 29.700 -0.017 0.000 1.196 679 E HN 0.366 nan 8.360 nan 0.000 0.416 680 L N 4.012 125.280 121.223 0.076 0.000 2.309 680 L HA 0.601 4.941 4.340 -0.001 0.000 0.282 680 L C -0.801 175.916 176.870 -0.255 0.000 1.036 680 L CA -0.943 53.807 54.840 -0.150 0.000 0.806 680 L CB 1.683 43.559 42.059 -0.304 0.000 1.220 680 L HN 0.371 nan 8.230 nan 0.000 0.429 681 V N 1.435 121.106 119.914 -0.405 0.000 2.709 681 V HA 0.468 4.587 4.120 -0.001 0.000 0.308 681 V C -1.000 174.831 176.094 -0.438 0.000 1.062 681 V CA -0.681 61.463 62.300 -0.261 0.000 0.901 681 V CB 2.362 34.133 31.823 -0.087 0.000 1.003 681 V HN 0.606 nan 8.190 nan 0.000 0.425 682 W N 2.793 124.088 121.300 -0.007 0.000 2.656 682 W HA 0.415 5.075 4.660 -0.001 0.000 0.327 682 W C -0.282 176.215 176.519 -0.036 0.000 1.041 682 W CA -0.686 56.639 57.345 -0.033 0.000 1.229 682 W CB 2.259 31.701 29.460 -0.030 0.000 1.397 682 W HN 0.812 nan 8.180 nan 0.000 0.479 683 D N 0.340 120.815 120.400 0.124 0.000 2.414 683 D HA -0.078 4.561 4.640 -0.001 0.000 0.251 683 D C 1.783 178.070 176.300 -0.021 0.000 1.252 683 D CA 0.225 54.258 54.000 0.055 0.000 0.999 683 D CB 0.088 40.875 40.800 -0.021 0.000 1.093 683 D HN 0.520 nan 8.370 nan 0.000 0.515 684 H N -1.065 118.040 119.070 0.060 0.000 2.426 684 H HA -0.130 4.426 4.556 -0.001 0.000 0.298 684 H C 1.077 176.421 175.328 0.027 0.000 1.107 684 H CA 1.069 57.140 56.048 0.038 0.000 1.298 684 H CB -0.960 28.814 29.762 0.021 0.000 1.377 684 H HN 0.306 nan 8.280 nan 0.000 0.519 685 C N 1.131 120.017 119.300 -0.691 0.000 2.578 685 C HA 0.366 4.826 4.460 -0.001 0.000 0.285 685 C C 1.899 176.798 174.990 -0.150 0.000 1.297 685 C CA 0.544 59.373 59.018 -0.314 0.000 1.690 685 C CB -1.027 26.509 27.740 -0.340 0.000 1.773 685 C HN 0.952 nan 8.230 nan 0.000 0.594 686 G N 1.141 109.895 108.800 -0.077 0.000 2.176 686 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.253 686 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.253 686 G C 0.103 175.111 174.900 0.179 0.000 0.979 686 G CA -0.328 44.785 45.100 0.023 0.000 0.641 686 G HN 0.601 nan 8.290 nan 0.000 0.530 687 R N -0.271 120.278 120.500 0.082 0.000 2.340 687 R HA 0.492 4.831 4.340 -0.001 0.000 0.300 687 R C 0.399 176.754 176.300 0.092 0.000 1.069 687 R CA -0.786 55.359 56.100 0.075 0.000 0.984 687 R CB 1.028 31.293 30.300 -0.059 0.000 1.003 687 R HN 0.196 nan 8.270 nan 0.000 0.459 688 L N 3.345 124.579 121.223 0.018 0.000 2.499 688 L HA -0.056 4.283 4.340 -0.001 0.000 0.273 688 L C 0.743 177.394 176.870 -0.365 0.000 1.195 688 L CA 0.729 55.345 54.840 -0.373 0.000 0.882 688 L CB 0.635 42.519 42.059 -0.292 0.000 1.133 688 L HN 0.701 nan 8.230 nan 0.000 0.483 689 M N 1.705 121.089 119.600 -0.359 0.000 2.545 689 M HA 0.115 4.595 4.480 -0.001 0.000 0.264 689 M C 0.896 177.100 176.300 -0.159 0.000 1.155 689 M CA 0.651 55.798 55.300 -0.256 0.000 1.162 689 M CB -1.012 31.503 32.600 -0.141 0.000 1.330 689 M HN 0.696 nan 8.290 nan 0.000 0.479 690 T N 0.183 114.641 114.554 -0.159 0.000 3.162 690 T HA 0.301 4.651 4.350 -0.001 0.000 0.316 690 T C 0.086 174.813 174.700 0.045 0.000 1.182 690 T CA -0.477 61.616 62.100 -0.012 0.000 1.015 690 T CB -0.638 68.209 68.868 -0.036 0.000 1.089 690 T HN 0.435 nan 8.240 nan 0.000 0.646 691 H N 1.050 120.077 119.070 -0.071 0.000 2.790 691 H HA 0.689 5.245 4.556 -0.001 0.000 0.232 691 H C -0.658 174.682 175.328 0.020 0.000 1.313 691 H CA -1.091 54.927 56.048 -0.051 0.000 1.011 691 H CB -0.502 29.227 29.762 -0.054 0.000 2.105 691 H HN 0.797 nan 8.280 nan 0.000 0.580 692 A N 0.832 123.641 122.820 -0.018 0.000 2.590 692 A HA 0.472 4.792 4.320 -0.001 0.000 0.294 692 A C -2.601 175.022 177.584 0.065 0.000 1.046 692 A CA -1.146 50.874 52.037 -0.028 0.000 0.684 692 A CB 1.042 19.943 19.000 -0.165 0.000 1.279 692 A HN 0.012 nan 8.150 nan 0.000 0.415 693 P HA -0.103 nan 4.420 nan 0.000 0.220 693 P C 1.471 178.757 177.300 -0.025 0.000 1.148 693 P CA 2.074 65.176 63.100 0.003 0.000 0.803 693 P CB 0.094 31.897 31.700 0.172 0.000 0.782 694 S N -1.469 114.237 115.700 0.010 0.000 2.603 694 S HA -0.051 4.418 4.470 -0.001 0.000 0.229 694 S C 1.473 176.071 174.600 -0.002 0.000 0.972 694 S CA 1.470 59.669 58.200 -0.002 0.000 0.935 694 S CB -1.403 61.801 63.200 0.008 0.000 0.769 694 S HN 0.321 nan 8.310 nan 0.000 0.536 695 T N -3.565 110.998 114.554 0.015 0.000 2.969 695 T HA 0.278 4.627 4.350 -0.001 0.000 0.258 695 T C -0.151 174.563 174.700 0.022 0.000 0.962 695 T CA -0.449 61.664 62.100 0.023 0.000 0.903 695 T CB -0.321 68.587 68.868 0.068 0.000 1.177 695 T HN 0.367 nan 8.240 nan 0.000 0.511 696 Y N 1.970 122.201 120.300 -0.115 0.000 2.335 696 Y HA 0.692 5.242 4.550 -0.001 0.000 0.338 696 Y C -1.137 174.616 175.900 -0.245 0.000 0.977 696 Y CA -1.296 56.705 58.100 -0.165 0.000 1.114 696 Y CB 1.385 39.746 38.460 -0.165 0.000 1.182 696 Y HN -0.198 nan 8.280 nan 0.000 0.463 697 K N 7.808 127.770 120.400 -0.730 0.000 2.464 697 K HA 0.344 4.663 4.320 -0.001 0.000 0.252 697 K C -0.812 175.453 176.600 -0.559 0.000 1.000 697 K CA -0.385 55.595 56.287 -0.512 0.000 0.951 697 K CB 0.167 32.471 32.500 -0.328 0.000 1.183 697 K HN 0.729 nan 8.250 nan 0.000 0.445 698 I N -0.760 119.521 120.570 -0.482 0.000 2.713 698 I HA 0.557 4.726 4.170 -0.001 0.000 0.300 698 I C -1.840 174.169 176.117 -0.181 0.000 1.009 698 I CA -2.573 58.541 61.300 -0.310 0.000 1.305 698 I CB 0.669 38.534 38.000 -0.225 0.000 1.430 698 I HN 0.291 nan 8.210 nan 0.000 0.546 699 P HA 0.000 nan 4.420 nan 0.000 0.257 699 P C -0.583 176.691 177.300 -0.044 0.000 1.162 699 P CA 0.426 63.477 63.100 -0.082 0.000 0.762 699 P CB 0.269 31.928 31.700 -0.068 0.000 0.753 700 A N 3.376 126.184 122.820 -0.019 0.000 2.252 700 A HA 0.361 4.680 4.320 -0.001 0.000 0.305 700 A C 1.079 178.720 177.584 0.095 0.000 1.097 700 A CA -0.578 51.486 52.037 0.045 0.000 0.849 700 A CB -0.074 18.953 19.000 0.045 0.000 1.142 700 A HN 0.542 nan 8.150 nan 0.000 0.499 701 F N 1.456 121.412 119.950 0.009 0.000 2.048 701 F HA -0.349 4.177 4.527 -0.001 0.000 0.296 701 F C 2.655 178.465 175.800 0.015 0.000 1.109 701 F CA 3.162 61.174 58.000 0.021 0.000 1.214 701 F CB -0.045 38.968 39.000 0.021 0.000 0.963 701 F HN 0.558 nan 8.300 nan 0.000 0.491 702 S N -0.906 115.011 115.700 0.361 0.000 2.595 702 S HA -0.132 4.337 4.470 -0.001 0.000 0.235 702 S C 1.149 175.807 174.600 0.095 0.000 0.974 702 S CA 1.009 59.347 58.200 0.229 0.000 0.942 702 S CB -0.539 62.742 63.200 0.134 0.000 0.766 702 S HN 0.469 nan 8.310 nan 0.000 0.536 703 D N 2.040 122.469 120.400 0.048 0.000 2.355 703 D HA 0.014 4.654 4.640 -0.001 0.000 0.218 703 D C 0.870 177.146 176.300 -0.040 0.000 1.004 703 D CA 0.150 54.144 54.000 -0.011 0.000 0.880 703 D CB -0.121 40.657 40.800 -0.036 0.000 0.911 703 D HN 0.710 nan 8.370 nan 0.000 0.528 704 R N 1.463 121.938 120.500 -0.042 0.000 2.679 704 R HA 0.256 4.596 4.340 -0.001 0.000 0.268 704 R C -2.544 173.689 176.300 -0.112 0.000 1.044 704 R CA -1.172 54.881 56.100 -0.079 0.000 1.105 704 R CB -0.731 29.535 30.300 -0.057 0.000 0.989 704 R HN -0.206 nan 8.270 nan 0.000 0.447 705 P HA -0.030 nan 4.420 nan 0.000 0.266 705 P C 0.036 177.271 177.300 -0.109 0.000 1.193 705 P CA -0.247 62.694 63.100 -0.264 0.000 0.770 705 P CB 0.557 31.898 31.700 -0.598 0.000 0.836 706 R N 1.679 122.145 120.500 -0.056 0.000 2.075 706 R HA 0.148 4.488 4.340 -0.001 0.000 0.226 706 R C 0.772 177.088 176.300 0.026 0.000 1.114 706 R CA 1.015 57.116 56.100 0.003 0.000 0.972 706 R CB -0.413 29.884 30.300 -0.005 0.000 0.869 706 R HN 0.507 nan 8.270 nan 0.000 0.437 707 I N 0.558 121.129 120.570 0.003 0.000 2.389 707 I HA 0.241 4.411 4.170 -0.001 0.000 0.288 707 I C -0.781 175.379 176.117 0.072 0.000 0.999 707 I CA -0.359 60.966 61.300 0.043 0.000 1.129 707 I CB 1.642 39.653 38.000 0.019 0.000 1.288 707 I HN -0.099 nan 8.210 nan 0.000 0.444 708 F N 6.475 126.389 119.950 -0.060 0.000 2.564 708 F HA 0.407 4.934 4.527 -0.001 0.000 0.368 708 F C -0.431 175.316 175.800 -0.088 0.000 1.127 708 F CA -1.006 56.935 58.000 -0.099 0.000 1.170 708 F CB 0.706 39.653 39.000 -0.089 0.000 1.397 708 F HN 0.461 nan 8.300 nan 0.000 0.493 709 N N 4.487 123.286 118.700 0.165 0.000 2.439 709 N HA 0.309 5.049 4.740 -0.001 0.000 0.249 709 N C -0.871 174.638 175.510 -0.003 0.000 1.003 709 N CA -0.133 52.940 53.050 0.037 0.000 0.942 709 N CB 2.185 40.691 38.487 0.032 0.000 1.115 709 N HN 0.155 nan 8.380 nan 0.000 0.505 710 V N 0.994 120.861 119.914 -0.079 0.000 2.448 710 V HA 0.857 4.976 4.120 -0.001 0.000 0.295 710 V C -0.001 176.076 176.094 -0.028 0.000 1.025 710 V CA -0.848 61.406 62.300 -0.077 0.000 0.859 710 V CB 1.286 33.004 31.823 -0.174 0.000 0.988 710 V HN 0.722 nan 8.190 nan 0.000 0.431 711 A N 5.039 127.872 122.820 0.022 0.000 2.498 711 A HA 0.925 5.245 4.320 -0.001 0.000 0.298 711 A C -1.215 176.430 177.584 0.103 0.000 1.075 711 A CA -0.659 51.406 52.037 0.047 0.000 0.714 711 A CB 1.530 20.560 19.000 0.051 0.000 1.299 711 A HN 0.744 nan 8.150 nan 0.000 0.407 712 L N 1.426 122.710 121.223 0.102 0.000 2.334 712 L HA 0.390 4.730 4.340 -0.001 0.000 0.275 712 L C -0.234 176.748 176.870 0.188 0.000 1.036 712 L CA -0.532 54.398 54.840 0.150 0.000 0.807 712 L CB 1.433 43.551 42.059 0.099 0.000 1.231 712 L HN 0.828 nan 8.230 nan 0.000 0.438 713 W N 3.756 125.059 121.300 0.005 0.000 2.335 713 W HA 0.140 4.800 4.660 -0.001 0.000 0.306 713 W C -0.860 175.649 176.519 -0.016 0.000 1.216 713 W CA -0.196 57.142 57.345 -0.012 0.000 1.237 713 W CB 1.359 30.804 29.460 -0.025 0.000 1.243 713 W HN 0.484 nan 8.180 nan 0.000 0.493 714 D N 5.285 125.498 120.400 -0.313 0.000 2.493 714 D HA 0.194 4.834 4.640 -0.001 0.000 0.235 714 D C -0.673 175.423 176.300 -0.341 0.000 1.117 714 D CA 0.238 54.102 54.000 -0.227 0.000 0.930 714 D CB 0.481 41.184 40.800 -0.161 0.000 1.010 714 D HN 0.332 nan 8.370 nan 0.000 0.514 715 Q N 2.962 122.626 119.800 -0.225 0.000 2.305 715 Q HA 0.370 4.709 4.340 -0.001 0.000 0.271 715 Q C -2.444 173.551 176.000 -0.008 0.000 1.046 715 Q CA -1.961 53.761 55.803 -0.136 0.000 0.798 715 Q CB 2.744 31.439 28.738 -0.073 0.000 1.286 715 Q HN 0.256 nan 8.270 nan 0.000 0.435 716 P HA -0.021 nan 4.420 nan 0.000 0.271 716 P C -0.560 176.737 177.300 -0.005 0.000 1.233 716 P CA -0.316 62.776 63.100 -0.013 0.000 0.789 716 P CB 0.584 32.274 31.700 -0.017 0.000 0.951 717 N N 1.149 119.820 118.700 -0.048 0.000 2.529 717 N HA 0.074 4.814 4.740 -0.001 0.000 0.278 717 N C 1.058 176.527 175.510 -0.069 0.000 1.146 717 N CA -0.071 52.923 53.050 -0.093 0.000 0.980 717 N CB 0.436 38.768 38.487 -0.259 0.000 1.124 717 N HN 0.192 nan 8.380 nan 0.000 0.458 718 R N 0.749 121.229 120.500 -0.033 0.000 2.115 718 R HA 0.014 4.354 4.340 -0.001 0.000 0.230 718 R C 0.030 176.314 176.300 -0.026 0.000 1.111 718 R CA 0.799 56.895 56.100 -0.006 0.000 0.976 718 R CB 0.151 30.471 30.300 0.033 0.000 0.870 718 R HN 0.627 nan 8.270 nan 0.000 0.445 719 E N 0.925 121.085 120.200 -0.067 0.000 2.314 719 E HA 0.053 4.403 4.350 -0.001 0.000 0.262 719 E C -0.603 175.944 176.600 -0.087 0.000 1.093 719 E CA -0.063 56.303 56.400 -0.056 0.000 0.908 719 E CB 0.774 30.445 29.700 -0.048 0.000 1.091 719 E HN 0.098 nan 8.360 nan 0.000 0.425 720 E N 1.293 121.466 120.200 -0.045 0.000 1.802 720 E HA 0.088 4.437 4.350 -0.001 0.000 0.265 720 E C -0.261 176.292 176.600 -0.078 0.000 1.168 720 E CA -0.139 56.230 56.400 -0.052 0.000 1.033 720 E CB 0.072 29.764 29.700 -0.013 0.000 1.095 720 E HN 0.352 nan 8.360 nan 0.000 0.436 721 T N -0.928 113.540 114.554 -0.143 0.000 2.948 721 T HA 0.356 4.706 4.350 -0.001 0.000 0.285 721 T C 0.364 174.939 174.700 -0.209 0.000 1.019 721 T CA -1.021 60.972 62.100 -0.179 0.000 1.013 721 T CB 1.155 69.887 68.868 -0.226 0.000 1.117 721 T HN 0.174 nan 8.240 nan 0.000 0.533 722 I N 2.288 122.709 120.570 -0.248 0.000 2.978 722 I HA 0.111 4.281 4.170 -0.001 0.000 0.293 722 I C 0.113 176.167 176.117 -0.106 0.000 1.218 722 I CA -0.219 60.909 61.300 -0.288 0.000 1.393 722 I CB -1.604 36.255 38.000 -0.236 0.000 1.394 722 I HN 0.778 nan 8.210 nan 0.000 0.541 723 F N 6.362 126.251 119.950 -0.101 0.000 3.100 723 F HA -0.349 4.178 4.527 -0.001 0.000 0.283 723 F C 1.189 176.939 175.800 -0.084 0.000 0.900 723 F CA 0.740 58.692 58.000 -0.081 0.000 1.010 723 F CB -1.135 37.821 39.000 -0.074 0.000 1.029 723 F HN 0.666 nan 8.300 nan 0.000 0.637 724 R N -1.798 118.705 120.500 0.005 0.000 3.651 724 R HA -0.191 4.149 4.340 -0.001 0.000 0.292 724 R C 0.565 176.834 176.300 -0.051 0.000 1.161 724 R CA 0.883 56.957 56.100 -0.044 0.000 0.787 724 R CB -2.375 27.917 30.300 -0.014 0.000 1.249 724 R HN 0.537 nan 8.270 nan 0.000 0.476 725 S N -0.227 115.447 115.700 -0.043 0.000 2.686 725 S HA 0.675 5.144 4.470 -0.001 0.000 0.270 725 S C 0.177 174.722 174.600 -0.092 0.000 1.194 725 S CA -0.662 57.519 58.200 -0.031 0.000 0.990 725 S CB 2.381 65.588 63.200 0.011 0.000 1.029 725 S HN 0.249 nan 8.310 nan 0.000 0.560 726 K N -0.521 119.870 120.400 -0.015 0.000 2.477 726 K HA 0.670 4.989 4.320 -0.001 0.000 0.255 726 K C -0.822 175.865 176.600 0.145 0.000 0.952 726 K CA -0.812 55.518 56.287 0.071 0.000 0.826 726 K CB 2.214 34.787 32.500 0.122 0.000 1.331 726 K HN 0.833 nan 8.250 nan 0.000 0.437 727 A N 1.062 124.025 122.820 0.237 0.000 2.407 727 A HA 0.270 4.590 4.320 -0.001 0.000 0.248 727 A C 0.271 177.905 177.584 0.083 0.000 1.082 727 A CA -0.146 51.956 52.037 0.108 0.000 0.785 727 A CB 0.760 19.796 19.000 0.059 0.000 1.020 727 A HN 0.486 nan 8.150 nan 0.000 0.489 728 V N 2.239 122.183 119.914 0.050 0.000 3.329 728 V HA 0.246 4.366 4.120 -0.001 0.000 0.317 728 V C 1.428 177.533 176.094 0.019 0.000 1.495 728 V CA 0.881 63.233 62.300 0.087 0.000 1.105 728 V CB 0.151 32.052 31.823 0.130 0.000 0.985 728 V HN 1.103 nan 8.190 nan 0.000 0.475 729 G N -0.110 108.669 108.800 -0.034 0.000 2.396 729 G HA2 -0.085 3.874 3.960 -0.001 0.000 0.214 729 G HA3 -0.085 3.874 3.960 -0.001 0.000 0.214 729 G C 1.152 175.997 174.900 -0.092 0.000 1.166 729 G CA 1.085 46.156 45.100 -0.047 0.000 0.793 729 G HN 0.569 nan 8.290 nan 0.000 0.533 730 E N 0.260 120.320 120.200 -0.233 0.000 2.152 730 E HA 0.026 4.375 4.350 -0.001 0.000 0.195 730 E C -0.354 175.930 176.600 -0.527 0.000 0.934 730 E CA -0.061 56.111 56.400 -0.381 0.000 0.869 730 E CB -0.101 29.280 29.700 -0.533 0.000 0.842 730 E HN 0.167 nan 8.360 nan 0.000 0.472 731 P HA -0.212 nan 4.420 nan 0.000 0.219 731 P C -1.583 175.590 177.300 -0.211 0.000 1.161 731 P CA 2.439 65.193 63.100 -0.577 0.000 0.909 731 P CB -1.031 30.585 31.700 -0.141 0.000 0.793 732 P HA -0.184 nan 4.420 nan 0.000 0.220 732 P C 1.561 178.836 177.300 -0.043 0.000 1.148 732 P CA 1.120 64.043 63.100 -0.296 0.000 0.803 732 P CB -0.607 30.862 31.700 -0.385 0.000 0.782 733 F N 1.043 120.905 119.950 -0.147 0.000 2.250 733 F HA -0.166 4.361 4.527 -0.001 0.000 0.301 733 F C 1.623 177.392 175.800 -0.052 0.000 1.077 733 F CA 0.929 58.880 58.000 -0.081 0.000 1.348 733 F CB -0.582 38.357 39.000 -0.100 0.000 1.040 733 F HN -0.266 nan 8.300 nan 0.000 0.509 734 L N 0.443 121.790 121.223 0.206 0.000 2.633 734 L HA -0.117 4.223 4.340 -0.001 0.000 0.235 734 L C 1.669 178.580 176.870 0.067 0.000 1.163 734 L CA 1.045 55.984 54.840 0.166 0.000 0.859 734 L CB -0.961 41.192 42.059 0.157 0.000 0.973 734 L HN 0.274 nan 8.230 nan 0.000 0.451 735 L N -1.467 119.773 121.223 0.028 0.000 2.492 735 L HA 0.051 4.391 4.340 -0.001 0.000 0.223 735 L C 2.324 179.228 176.870 0.056 0.000 1.132 735 L CA 0.573 55.472 54.840 0.099 0.000 0.850 735 L CB -0.629 41.535 42.059 0.174 0.000 0.966 735 L HN 0.351 nan 8.230 nan 0.000 0.454 736 G N 0.149 108.840 108.800 -0.183 0.000 2.484 736 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.218 736 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.218 736 G C 1.559 176.365 174.900 -0.157 0.000 1.130 736 G CA 0.138 44.995 45.100 -0.406 0.000 0.784 736 G HN 0.265 nan 8.290 nan 0.000 0.543 737 I N 2.020 122.570 120.570 -0.033 0.000 2.185 737 I HA -0.327 3.842 4.170 -0.001 0.000 0.246 737 I C 3.209 179.384 176.117 0.097 0.000 1.088 737 I CA 1.689 63.015 61.300 0.043 0.000 1.347 737 I CB -0.244 37.809 38.000 0.088 0.000 1.041 737 I HN 0.388 nan 8.210 nan 0.000 0.415 738 S N 1.322 117.078 115.700 0.094 0.000 2.374 738 S HA -0.264 4.205 4.470 -0.001 0.000 0.227 738 S C 2.223 176.884 174.600 0.101 0.000 1.037 738 S CA 1.232 59.503 58.200 0.119 0.000 1.024 738 S CB -0.688 62.600 63.200 0.146 0.000 0.861 738 S HN 0.454 nan 8.310 nan 0.000 0.456 739 A N 0.714 123.568 122.820 0.057 0.000 1.930 739 A HA 0.100 4.419 4.320 -0.001 0.000 0.217 739 A C 1.985 179.593 177.584 0.041 0.000 1.175 739 A CA 1.359 53.411 52.037 0.025 0.000 0.627 739 A CB -1.043 17.919 19.000 -0.065 0.000 0.815 739 A HN 0.633 nan 8.150 nan 0.000 0.443 740 F N 0.349 120.242 119.950 -0.095 0.000 2.113 740 F HA -0.129 4.398 4.527 -0.001 0.000 0.297 740 F C 1.789 177.569 175.800 -0.034 0.000 1.103 740 F CA 1.299 59.246 58.000 -0.089 0.000 1.248 740 F CB -0.119 38.805 39.000 -0.126 0.000 0.999 740 F HN 0.112 nan 8.300 nan 0.000 0.475 741 L N 0.544 121.859 121.223 0.153 0.000 2.127 741 L HA -0.189 4.151 4.340 -0.001 0.000 0.211 741 L C 2.711 179.592 176.870 0.018 0.000 1.089 741 L CA 1.756 56.627 54.840 0.052 0.000 0.757 741 L CB -2.293 39.835 42.059 0.114 0.000 0.899 741 L HN 0.318 nan 8.230 nan 0.000 0.434 742 A N -0.808 122.019 122.820 0.011 0.000 1.858 742 A HA -0.180 4.139 4.320 -0.001 0.000 0.216 742 A C 2.203 179.746 177.584 -0.069 0.000 1.190 742 A CA 1.260 53.297 52.037 -0.000 0.000 0.617 742 A CB -0.736 18.268 19.000 0.006 0.000 0.827 742 A HN 0.283 nan 8.150 nan 0.000 0.443 743 L N -0.184 120.960 121.223 -0.131 0.000 2.081 743 L HA -0.226 4.113 4.340 -0.001 0.000 0.212 743 L C 2.383 179.112 176.870 -0.235 0.000 1.080 743 L CA 2.597 57.323 54.840 -0.190 0.000 0.754 743 L CB -1.383 40.529 42.059 -0.244 0.000 0.893 743 L HN 0.791 nan 8.230 nan 0.000 0.433 744 H N -1.792 117.038 119.070 -0.400 0.000 2.428 744 H HA -0.134 4.422 4.556 -0.001 0.000 0.296 744 H C 1.986 177.180 175.328 -0.223 0.000 1.062 744 H CA 1.575 57.390 56.048 -0.387 0.000 1.350 744 H CB 0.055 29.524 29.762 -0.488 0.000 1.403 744 H HN 0.379 nan 8.280 nan 0.000 0.533 745 D N 0.109 120.429 120.400 -0.134 0.000 2.144 745 D HA -0.121 4.518 4.640 -0.001 0.000 0.199 745 D C 2.219 178.410 176.300 -0.181 0.000 0.984 745 D CA 1.373 55.299 54.000 -0.123 0.000 0.834 745 D CB -0.321 40.484 40.800 0.009 0.000 0.955 745 D HN 0.528 nan 8.370 nan 0.000 0.465 746 A N -0.191 122.533 122.820 -0.160 0.000 1.832 746 A HA -0.160 4.160 4.320 -0.001 0.000 0.214 746 A C 2.664 180.148 177.584 -0.167 0.000 1.200 746 A CA 1.549 53.510 52.037 -0.126 0.000 0.610 746 A CB -1.192 17.747 19.000 -0.102 0.000 0.842 746 A HN 0.484 nan 8.150 nan 0.000 0.444 747 C N -0.664 118.499 119.300 -0.228 0.000 2.363 747 C HA -0.142 4.318 4.460 -0.001 0.000 0.274 747 C C 3.157 177.988 174.990 -0.266 0.000 1.183 747 C CA 1.165 60.035 59.018 -0.248 0.000 1.771 747 C CB -1.563 25.989 27.740 -0.314 0.000 2.059 747 C HN 0.695 nan 8.230 nan 0.000 0.455 748 A N -0.271 122.316 122.820 -0.388 0.000 2.248 748 A HA 0.303 4.623 4.320 -0.001 0.000 0.210 748 A C 2.037 179.527 177.584 -0.157 0.000 1.174 748 A CA 1.485 53.345 52.037 -0.295 0.000 0.750 748 A CB -0.440 18.342 19.000 -0.364 0.000 0.780 748 A HN 0.668 nan 8.150 nan 0.000 0.478 749 A N -1.862 120.877 122.820 -0.134 0.000 2.275 749 A HA 0.168 4.488 4.320 -0.001 0.000 0.212 749 A C 1.609 179.156 177.584 -0.062 0.000 1.201 749 A CA 0.876 52.867 52.037 -0.075 0.000 0.843 749 A CB -0.701 18.271 19.000 -0.047 0.000 0.873 749 A HN 0.564 nan 8.150 nan 0.000 0.492 750 C N -0.864 118.388 119.300 -0.079 0.000 2.618 750 C HA 0.532 4.991 4.460 -0.001 0.000 0.264 750 C C 1.438 176.388 174.990 -0.067 0.000 1.334 750 C CA 0.109 59.088 59.018 -0.064 0.000 1.731 750 C CB -1.185 26.516 27.740 -0.066 0.000 1.852 750 C HN 0.733 nan 8.230 nan 0.000 0.566 751 G N 0.338 109.088 108.800 -0.083 0.000 2.430 751 G HA2 0.447 4.406 3.960 -0.001 0.000 0.300 751 G HA3 0.447 4.406 3.960 -0.001 0.000 0.300 751 G C -2.928 171.889 174.900 -0.139 0.000 1.330 751 G CA -0.256 44.780 45.100 -0.107 0.000 0.813 751 G HN -0.124 nan 8.290 nan 0.000 0.487 752 P HA 0.259 nan 4.420 nan 0.000 0.275 752 P C -0.173 176.983 177.300 -0.240 0.000 1.310 752 P CA 0.063 63.019 63.100 -0.239 0.000 0.904 752 P CB 0.215 31.747 31.700 -0.281 0.000 1.381 753 H N -0.958 118.143 119.070 0.053 0.000 2.483 753 H HA 0.118 4.674 4.556 -0.001 0.000 0.338 753 H C -0.177 175.236 175.328 0.142 0.000 1.152 753 H CA -0.954 55.156 56.048 0.104 0.000 1.264 753 H CB 0.693 30.502 29.762 0.077 0.000 1.510 753 H HN 0.170 nan 8.280 nan 0.000 0.530 754 W N 5.089 126.481 121.300 0.153 0.000 2.607 754 W HA 0.016 4.676 4.660 -0.001 0.000 0.336 754 W C -2.003 174.540 176.519 0.040 0.000 1.439 754 W CA -1.493 55.894 57.345 0.070 0.000 1.346 754 W CB 0.377 29.877 29.460 0.066 0.000 1.425 754 W HN 0.492 nan 8.180 nan 0.000 0.565 755 P HA -0.168 nan 4.420 nan 0.000 0.226 755 P C 0.037 176.931 177.300 -0.676 0.000 1.153 755 P CA 1.274 64.051 63.100 -0.538 0.000 0.777 755 P CB 0.015 31.396 31.700 -0.531 0.000 0.794 756 D N -1.724 117.844 120.400 -1.387 0.000 2.704 756 D HA -0.178 4.462 4.640 -0.001 0.000 0.232 756 D C -0.358 175.724 176.300 -0.363 0.000 1.183 756 D CA 0.193 53.703 54.000 -0.817 0.000 0.647 756 D CB -1.113 39.560 40.800 -0.211 0.000 1.013 756 D HN 0.025 nan 8.370 nan 0.000 0.415 757 L N 0.739 121.723 121.223 -0.398 0.000 2.426 757 L HA 0.275 4.614 4.340 -0.001 0.000 0.271 757 L C 0.183 177.104 176.870 0.084 0.000 1.169 757 L CA 0.468 55.200 54.840 -0.180 0.000 0.836 757 L CB 0.901 42.782 42.059 -0.297 0.000 1.112 757 L HN 0.066 nan 8.230 nan 0.000 0.465 758 Q N 3.333 123.229 119.800 0.161 0.000 2.248 758 Q HA 0.706 5.045 4.340 -0.001 0.000 0.263 758 Q C -0.857 175.348 176.000 0.341 0.000 1.007 758 Q CA -0.560 55.424 55.803 0.301 0.000 0.877 758 Q CB 1.790 30.631 28.738 0.171 0.000 1.315 758 Q HN 0.838 nan 8.270 nan 0.000 0.454 759 A N 2.570 125.528 122.820 0.230 0.000 2.317 759 A HA 0.668 4.987 4.320 -0.001 0.000 0.327 759 A C -2.303 175.232 177.584 -0.081 0.000 1.178 759 A CA -1.558 50.475 52.037 -0.007 0.000 0.817 759 A CB 0.695 19.435 19.000 -0.434 0.000 1.189 759 A HN 0.406 nan 8.150 nan 0.000 0.489 760 P HA 0.260 nan 4.420 nan 0.000 0.287 760 P C -0.046 177.256 177.300 0.004 0.000 1.294 760 P CA 0.071 63.115 63.100 -0.094 0.000 0.776 760 P CB 1.287 32.922 31.700 -0.107 0.000 0.889 761 A N 3.905 126.773 122.820 0.079 0.000 3.092 761 A HA 0.176 4.496 4.320 -0.001 0.000 0.278 761 A C 1.111 178.683 177.584 -0.021 0.000 1.956 761 A CA 0.075 52.139 52.037 0.044 0.000 1.501 761 A CB -1.534 17.492 19.000 0.044 0.000 0.977 761 A HN 0.622 nan 8.150 nan 0.000 0.607 762 T N -0.845 113.691 114.554 -0.030 0.000 2.726 762 T HA 0.317 4.667 4.350 -0.001 0.000 0.294 762 T C -1.515 173.157 174.700 -0.047 0.000 1.013 762 T CA -1.123 60.949 62.100 -0.047 0.000 0.996 762 T CB 0.134 68.976 68.868 -0.043 0.000 1.016 762 T HN 0.209 nan 8.240 nan 0.000 0.529 763 P HA -0.129 nan 4.420 nan 0.000 0.215 763 P C 1.534 178.810 177.300 -0.039 0.000 1.157 763 P CA 1.377 64.450 63.100 -0.045 0.000 0.874 763 P CB -0.015 31.660 31.700 -0.041 0.000 0.790 764 E N 0.031 120.212 120.200 -0.032 0.000 2.085 764 E HA -0.222 4.128 4.350 -0.001 0.000 0.194 764 E C 1.924 178.509 176.600 -0.026 0.000 0.994 764 E CA 1.606 57.991 56.400 -0.025 0.000 0.801 764 E CB -0.704 28.986 29.700 -0.017 0.000 0.743 764 E HN 0.095 nan 8.360 nan 0.000 0.453 765 A N 0.350 123.154 122.820 -0.025 0.000 1.969 765 A HA -0.075 4.245 4.320 -0.001 0.000 0.218 765 A C 2.389 179.945 177.584 -0.047 0.000 1.169 765 A CA 1.255 53.279 52.037 -0.023 0.000 0.635 765 A CB -0.406 18.591 19.000 -0.005 0.000 0.810 765 A HN 0.247 nan 8.150 nan 0.000 0.445 766 V N -0.316 119.561 119.914 -0.061 0.000 2.453 766 V HA -0.170 3.949 4.120 -0.001 0.000 0.247 766 V C 2.437 178.482 176.094 -0.081 0.000 1.048 766 V CA 1.696 63.943 62.300 -0.090 0.000 1.049 766 V CB -0.540 31.227 31.823 -0.093 0.000 0.672 766 V HN 0.595 nan 8.190 nan 0.000 0.457 767 L N 1.161 122.349 121.223 -0.059 0.000 2.042 767 L HA -0.115 4.225 4.340 -0.001 0.000 0.210 767 L C 2.444 179.283 176.870 -0.051 0.000 1.076 767 L CA 2.482 57.292 54.840 -0.050 0.000 0.749 767 L CB -1.029 41.008 42.059 -0.036 0.000 0.893 767 L HN 0.231 nan 8.230 nan 0.000 0.432 768 A N -0.570 122.221 122.820 -0.047 0.000 1.902 768 A HA -0.087 4.233 4.320 -0.001 0.000 0.217 768 A C 2.411 179.955 177.584 -0.067 0.000 1.181 768 A CA 1.834 53.844 52.037 -0.044 0.000 0.623 768 A CB -1.125 17.856 19.000 -0.031 0.000 0.818 768 A HN 0.579 nan 8.150 nan 0.000 0.443 769 A N -0.920 121.842 122.820 -0.096 0.000 2.014 769 A HA 0.142 4.461 4.320 -0.001 0.000 0.218 769 A C 2.152 179.650 177.584 -0.143 0.000 1.163 769 A CA 1.333 53.282 52.037 -0.147 0.000 0.652 769 A CB -0.660 18.218 19.000 -0.203 0.000 0.808 769 A HN 0.323 nan 8.150 nan 0.000 0.449 770 V N 0.516 120.361 119.914 -0.115 0.000 2.343 770 V HA -0.264 3.855 4.120 -0.001 0.000 0.247 770 V C 2.682 178.737 176.094 -0.064 0.000 1.051 770 V CA 2.160 64.402 62.300 -0.096 0.000 1.036 770 V CB -0.693 31.085 31.823 -0.076 0.000 0.654 770 V HN 0.552 nan 8.190 nan 0.000 0.451 771 R N -0.093 120.378 120.500 -0.049 0.000 2.092 771 R HA -0.089 4.251 4.340 -0.001 0.000 0.231 771 R C 2.367 178.664 176.300 -0.006 0.000 1.119 771 R CA 1.180 57.266 56.100 -0.024 0.000 0.970 771 R CB -0.428 29.860 30.300 -0.020 0.000 0.864 771 R HN 0.486 nan 8.270 nan 0.000 0.440 772 R N 0.524 121.012 120.500 -0.021 0.000 2.189 772 R HA -0.000 4.339 4.340 -0.001 0.000 0.223 772 R C 2.205 178.545 176.300 0.067 0.000 1.092 772 R CA 1.063 57.166 56.100 0.005 0.000 0.989 772 R CB -0.189 30.093 30.300 -0.031 0.000 0.876 772 R HN 0.193 nan 8.270 nan 0.000 0.457 773 A N 1.104 123.932 122.820 0.013 0.000 1.898 773 A HA -0.114 4.206 4.320 -0.001 0.000 0.214 773 A C 1.800 179.412 177.584 0.045 0.000 1.183 773 A CA 0.906 52.956 52.037 0.022 0.000 0.622 773 A CB -0.140 18.813 19.000 -0.078 0.000 0.824 773 A HN 0.221 nan 8.150 nan 0.000 0.444 774 E N -1.444 118.771 120.200 0.026 0.000 2.338 774 E HA 0.101 4.451 4.350 -0.001 0.000 0.197 774 E C 1.283 177.941 176.600 0.096 0.000 1.007 774 E CA 0.466 56.878 56.400 0.021 0.000 0.849 774 E CB -0.167 29.534 29.700 0.001 0.000 0.774 774 E HN 0.754 nan 8.360 nan 0.000 0.506 775 G N 1.354 110.268 108.800 0.190 0.000 2.179 775 G HA2 -0.355 3.604 3.960 -0.001 0.000 0.260 775 G HA3 -0.355 3.604 3.960 -0.001 0.000 0.260 775 G C 0.622 175.569 174.900 0.078 0.000 0.977 775 G CA 0.328 45.559 45.100 0.217 0.000 0.641 775 G HN 0.237 nan 8.290 nan 0.000 0.533 776 R N 0.611 121.139 120.500 0.047 0.000 2.858 776 R HA 0.495 4.835 4.340 -0.001 0.000 0.228 776 R C 1.183 177.489 176.300 0.010 0.000 1.471 776 R CA 0.854 56.967 56.100 0.021 0.000 1.342 776 R CB -0.693 29.613 30.300 0.010 0.000 1.152 776 R HN 1.786 nan 8.270 nan 0.000 0.521 777 A N 0.000 122.824 122.820 0.007 0.000 2.254 777 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 777 A CA 0.000 52.035 52.037 -0.004 0.000 0.836 777 A CB 0.000 18.998 19.000 -0.003 0.000 0.831 777 A HN 0.000 nan 8.150 nan 0.000 0.486