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 3muu_1_D DATA FIRST_RESID 4 DATA SEQUENCE DDFTLTSPYL GTcSYcHHTV PcFSPVKIEQ VWDEADDNTI RIQTSAQFGY DATA SEQUENCE DQSGAASANK YRYXSLKQDH TVKEGTXDDI KISTSGPcRR LSYKGYFLLA DATA SEQUENCE KcPPGDSVTV SIVSSNSATS cTLARKIKPK FVGREKYDLP PVHGKKIPcT DATA SEQUENCE VYDRXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXHLPFKLIP STcXVPVAHA PNVIHGFKHI SLQLDTDHLT LLTTRRLGAN DATA SEQUENCE PEPTTEWIVG KTVRNFTVDR DGLEYIWGNH EPVRVYAQXX XXXXXXXXXX DATA SEQUENCE XXXXXGGYEH ATTVPNVPQI PYKALVERAG YAPLNLEITV XSSEVLPSTN DATA SEQUENCE QEYITcKFTT VVPSPKIKcc GSLEcQPAAH AGYTcKVFGG VYPFXWGGAQ DATA SEQUENCE cFcDSENSQX SEAYVELSAD cASDHAQAIK VHTAAXKVGL RIVYGNTTSF DATA SEQUENCE LDVYVNGVTP GTSKDLKVIA GPISASFTPF DHKVVIHRGL VYNYDFPEYG DATA SEQUENCE AXKPGAFGDI QATSLTSKDL IASTDIRLLK PSAKNVHVPY TQASSGFEXW DATA SEQUENCE KNNSGRPLQE TAPFGcKIAV NPLRAVDcSY GNIPISIDIP NAAFIRTSDA DATA SEQUENCE PLVSTVKcEV SEcTYSADFG GXATLQYVSD REGQcPVHSH SSTATLQEST DATA SEQUENCE VHVLEKGAVT VHFSTASPQA NFIVSLcGKK TTcNAEc 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 4 D HA 0.000 nan 4.640 nan 0.000 0.175 4 D C 0.000 176.480 176.300 0.300 0.000 2.045 4 D CA 0.000 54.132 54.000 0.220 0.000 0.868 4 D CB 0.000 40.921 40.800 0.202 0.000 0.688 5 D N -0.158 120.417 120.400 0.292 0.000 2.549 5 D HA 0.574 5.214 4.640 -0.000 0.000 0.251 5 D C -1.321 175.187 176.300 0.347 0.000 1.153 5 D CA -0.381 53.744 54.000 0.209 0.000 0.861 5 D CB 0.425 41.307 40.800 0.137 0.000 1.207 5 D HN 0.311 nan 8.370 nan 0.000 0.543 6 F N -0.129 119.879 119.950 0.098 0.000 2.629 6 F HA 0.707 5.234 4.527 -0.000 0.000 0.316 6 F C -0.022 175.738 175.800 -0.067 0.000 1.081 6 F CA -1.145 56.881 58.000 0.043 0.000 0.954 6 F CB 1.068 40.081 39.000 0.022 0.000 1.337 6 F HN 0.089 nan 8.300 nan 0.000 0.474 7 T N -0.345 114.125 114.554 -0.141 0.000 2.943 7 T HA 0.558 4.908 4.350 -0.000 0.000 0.284 7 T C 0.091 174.738 174.700 -0.089 0.000 1.015 7 T CA -0.600 61.335 62.100 -0.275 0.000 1.042 7 T CB 1.720 70.257 68.868 -0.553 0.000 1.055 7 T HN 0.914 nan 8.240 nan 0.000 0.500 8 L N -1.144 120.028 121.223 -0.084 0.000 2.858 8 L HA 0.531 4.871 4.340 -0.000 0.000 0.251 8 L C 0.607 177.469 176.870 -0.014 0.000 1.149 8 L CA -0.463 54.366 54.840 -0.018 0.000 0.955 8 L CB -0.178 41.869 42.059 -0.020 0.000 1.289 8 L HN 0.781 nan 8.230 nan 0.000 0.542 9 T N -0.048 114.497 114.554 -0.015 0.000 2.903 9 T HA 0.773 5.123 4.350 -0.000 0.000 0.299 9 T C -0.568 174.162 174.700 0.049 0.000 1.093 9 T CA 0.089 62.212 62.100 0.038 0.000 1.002 9 T CB 1.587 70.508 68.868 0.089 0.000 1.127 9 T HN 0.376 nan 8.240 nan 0.000 0.488 10 S N 3.166 118.918 115.700 0.087 0.000 2.638 10 S HA 0.825 5.295 4.470 -0.000 0.000 0.302 10 S C -3.067 171.642 174.600 0.181 0.000 1.096 10 S CA -1.636 56.598 58.200 0.058 0.000 0.953 10 S CB 1.178 64.379 63.200 0.002 0.000 1.107 10 S HN 0.542 nan 8.310 nan 0.000 0.503 11 P HA 0.245 nan 4.420 nan 0.000 0.268 11 P C -0.913 176.530 177.300 0.239 0.000 1.204 11 P CA -0.085 63.109 63.100 0.157 0.000 0.768 11 P CB -0.129 31.579 31.700 0.014 0.000 0.842 12 Y N 1.029 121.392 120.300 0.105 0.000 2.699 12 Y HA 0.779 5.329 4.550 0.000 0.000 0.326 12 Y C -0.935 174.973 175.900 0.013 0.000 1.141 12 Y CA -1.553 56.576 58.100 0.048 0.000 1.246 12 Y CB 0.851 39.327 38.460 0.028 0.000 1.426 12 Y HN 0.042 nan 8.280 nan 0.000 0.559 13 L N 1.105 122.293 121.223 -0.058 0.000 2.334 13 L HA 0.818 5.158 4.340 -0.000 0.000 0.276 13 L C -0.101 176.507 176.870 -0.436 0.000 1.014 13 L CA -0.902 53.770 54.840 -0.280 0.000 0.815 13 L CB 2.085 44.052 42.059 -0.154 0.000 1.268 13 L HN 0.989 nan 8.230 nan 0.000 0.428 14 G N -0.391 108.064 108.800 -0.576 0.000 2.667 14 G HA2 0.514 4.474 3.960 -0.000 0.000 0.298 14 G HA3 0.514 4.474 3.960 -0.000 0.000 0.298 14 G C -0.700 173.910 174.900 -0.482 0.000 1.377 14 G CA -0.523 44.297 45.100 -0.467 0.000 0.964 14 G HN 0.481 nan 8.290 nan 0.000 0.493 15 T N -1.406 112.953 114.554 -0.324 0.000 2.867 15 T HA 0.374 4.724 4.350 -0.000 0.000 0.297 15 T C 0.283 174.952 174.700 -0.053 0.000 0.989 15 T CA -0.421 61.625 62.100 -0.090 0.000 1.159 15 T CB 0.764 69.675 68.868 0.072 0.000 0.928 15 T HN 0.678 nan 8.240 nan 0.000 0.538 16 c N 2.933 121.522 118.600 -0.019 0.000 2.595 16 c HA 0.710 5.280 4.570 -0.000 0.000 0.338 16 c C 1.644 175.749 174.090 0.025 0.000 1.219 16 c CA -0.083 56.246 56.329 -0.000 0.000 1.811 16 c CB 1.402 43.914 42.510 0.004 0.000 2.313 16 c HN 1.085 nan 8.230 nan 0.000 0.499 17 S N 0.286 116.011 115.700 0.041 0.000 2.511 17 S HA 0.207 4.677 4.470 -0.000 0.000 0.214 17 S C -0.306 174.367 174.600 0.122 0.000 0.997 17 S CA 0.064 58.297 58.200 0.054 0.000 0.908 17 S CB -0.019 63.202 63.200 0.035 0.000 0.803 17 S HN 0.824 nan 8.310 nan 0.000 0.504 18 Y N 0.524 120.817 120.300 -0.012 0.000 2.330 18 Y HA 0.456 5.006 4.550 -0.000 0.000 0.324 18 Y C -1.681 174.211 175.900 -0.013 0.000 1.093 18 Y CA -1.122 56.974 58.100 -0.007 0.000 1.103 18 Y CB 1.250 39.695 38.460 -0.026 0.000 1.183 18 Y HN 0.121 nan 8.280 nan 0.000 0.433 19 c N 7.052 125.631 118.600 -0.036 0.000 3.328 19 c HA 0.336 4.906 4.570 -0.000 0.000 0.230 19 c C 0.573 174.665 174.090 0.004 0.000 1.232 19 c CA -0.471 55.889 56.329 0.051 0.000 1.431 19 c CB -0.981 41.578 42.510 0.081 0.000 1.818 19 c HN 1.179 nan 8.230 nan 0.000 0.484 20 H N 0.193 119.215 119.070 -0.079 0.000 4.807 20 H HA -0.161 4.395 4.556 0.000 0.000 0.103 20 H C 0.351 175.323 175.328 -0.593 0.000 0.622 20 H CA 2.347 58.237 56.048 -0.262 0.000 1.203 20 H CB -0.858 28.694 29.762 -0.351 0.000 0.637 20 H HN 0.760 nan 8.280 nan 0.000 0.601 21 H N 0.001 118.989 119.070 -0.136 0.000 2.529 21 H HA 0.206 4.762 4.556 -0.000 0.000 0.348 21 H C 1.545 176.527 175.328 -0.577 0.000 1.079 21 H CA 0.440 56.338 56.048 -0.249 0.000 1.198 21 H CB 1.486 31.175 29.762 -0.120 0.000 1.521 21 H HN 0.226 nan 8.280 nan 0.000 0.514 22 T N -0.467 113.758 114.554 -0.550 0.000 2.946 22 T HA -0.081 4.269 4.350 -0.000 0.000 0.270 22 T C 1.024 175.531 174.700 -0.323 0.000 1.129 22 T CA 0.335 62.019 62.100 -0.694 0.000 1.103 22 T CB -0.594 68.159 68.868 -0.192 0.000 0.839 22 T HN 0.198 nan 8.240 nan 0.000 0.544 23 V N 3.380 123.187 119.914 -0.178 0.000 2.572 23 V HA 0.253 4.373 4.120 -0.000 0.000 0.291 23 V C -2.040 174.024 176.094 -0.050 0.000 1.039 23 V CA -2.045 60.209 62.300 -0.076 0.000 1.055 23 V CB 0.527 32.324 31.823 -0.044 0.000 0.969 23 V HN 0.236 nan 8.190 nan 0.000 0.482 24 P HA 0.172 nan 4.420 nan 0.000 0.265 24 P C -0.205 177.120 177.300 0.041 0.000 1.193 24 P CA 0.025 63.135 63.100 0.016 0.000 0.765 24 P CB 0.365 32.070 31.700 0.009 0.000 0.823 25 c N 1.978 120.620 118.600 0.070 0.000 3.327 25 c HA 0.706 5.276 4.570 -0.000 0.000 0.366 25 c C -0.506 173.701 174.090 0.195 0.000 2.438 25 c CA -0.754 55.647 56.329 0.119 0.000 1.438 25 c CB 0.518 43.095 42.510 0.112 0.000 2.876 25 c HN 0.418 nan 8.230 nan 0.000 0.483 26 F N 2.410 122.374 119.950 0.023 0.000 2.566 26 F HA 0.490 5.017 4.527 -0.000 0.000 0.352 26 F C 0.425 176.245 175.800 0.032 0.000 1.534 26 F CA 0.069 58.083 58.000 0.023 0.000 1.097 26 F CB 0.265 39.278 39.000 0.022 0.000 1.488 26 F HN 0.943 nan 8.300 nan 0.000 0.562 27 S N 1.545 117.225 115.700 -0.032 0.000 2.722 27 S HA 0.760 5.230 4.470 -0.000 0.000 0.292 27 S C -2.769 171.771 174.600 -0.101 0.000 1.135 27 S CA -1.504 56.693 58.200 -0.006 0.000 1.003 27 S CB 1.952 65.178 63.200 0.043 0.000 1.067 27 S HN 0.169 nan 8.310 nan 0.000 0.546 28 P HA 0.191 nan 4.420 nan 0.000 0.293 28 P C 0.221 177.465 177.300 -0.093 0.000 1.298 28 P CA -0.167 62.891 63.100 -0.071 0.000 0.757 28 P CB -0.062 31.700 31.700 0.103 0.000 1.262 29 V N -4.305 115.542 119.914 -0.112 0.000 4.112 29 V HA -0.213 3.907 4.120 -0.000 0.000 0.233 29 V C 0.929 176.968 176.094 -0.091 0.000 0.458 29 V CA 1.198 63.450 62.300 -0.081 0.000 0.909 29 V CB -2.154 29.639 31.823 -0.049 0.000 0.963 29 V HN 0.730 nan 8.190 nan 0.000 1.260 30 K N 1.506 121.808 120.400 -0.164 0.000 2.416 30 K HA 0.280 4.600 4.320 -0.000 0.000 0.283 30 K C 0.011 176.560 176.600 -0.084 0.000 1.037 30 K CA -0.204 55.999 56.287 -0.139 0.000 0.995 30 K CB 0.500 32.872 32.500 -0.214 0.000 0.938 30 K HN 0.613 nan 8.250 nan 0.000 0.475 31 I N 5.469 126.013 120.570 -0.043 0.000 2.352 31 I HA 0.021 4.191 4.170 -0.000 0.000 0.290 31 I C 1.453 177.563 176.117 -0.011 0.000 1.036 31 I CA -0.104 61.185 61.300 -0.018 0.000 1.336 31 I CB 0.918 38.907 38.000 -0.019 0.000 1.407 31 I HN 0.597 nan 8.210 nan 0.000 0.497 32 E N 4.713 124.916 120.200 0.005 0.000 2.132 32 E HA 0.134 4.484 4.350 -0.000 0.000 0.193 32 E C 0.306 176.888 176.600 -0.030 0.000 0.951 32 E CA 0.607 57.017 56.400 0.017 0.000 0.843 32 E CB 0.633 30.369 29.700 0.061 0.000 0.807 32 E HN 0.661 nan 8.360 nan 0.000 0.467 33 Q N -0.263 119.496 119.800 -0.068 0.000 2.626 33 Q HA 0.565 4.905 4.340 -0.000 0.000 0.300 33 Q C -1.440 174.376 176.000 -0.307 0.000 0.988 33 Q CA -0.654 54.980 55.803 -0.281 0.000 0.761 33 Q CB 3.249 31.678 28.738 -0.514 0.000 1.494 33 Q HN -0.121 nan 8.270 nan 0.000 0.439 34 V N 0.239 119.806 119.914 -0.579 0.000 3.048 34 V HA 0.474 4.594 4.120 -0.000 0.000 0.303 34 V C -1.730 174.101 176.094 -0.438 0.000 1.214 34 V CA -0.697 61.441 62.300 -0.270 0.000 0.984 34 V CB 2.490 34.254 31.823 -0.100 0.000 1.054 34 V HN 0.642 nan 8.190 nan 0.000 0.430 35 W N 2.133 123.469 121.300 0.059 0.000 2.532 35 W HA 0.501 5.161 4.660 -0.000 0.000 0.321 35 W C -0.838 175.756 176.519 0.126 0.000 1.037 35 W CA -0.441 56.966 57.345 0.104 0.000 1.220 35 W CB 2.060 31.611 29.460 0.152 0.000 1.361 35 W HN 0.594 nan 8.180 nan 0.000 0.468 36 D N 2.115 122.694 120.400 0.298 0.000 2.513 36 D HA 0.210 4.850 4.640 -0.000 0.000 0.295 36 D C 0.309 176.738 176.300 0.216 0.000 1.202 36 D CA 0.156 54.288 54.000 0.220 0.000 0.849 36 D CB 0.505 41.359 40.800 0.089 0.000 1.116 36 D HN 0.403 nan 8.370 nan 0.000 0.502 37 E N -0.052 120.330 120.200 0.304 0.000 2.568 37 E HA 0.300 4.650 4.350 -0.000 0.000 0.220 37 E C 0.559 177.195 176.600 0.059 0.000 0.869 37 E CA -0.381 56.130 56.400 0.185 0.000 1.268 37 E CB 0.863 30.713 29.700 0.251 0.000 1.252 37 E HN 0.309 nan 8.360 nan 0.000 0.606 38 A N 1.610 124.439 122.820 0.015 0.000 2.466 38 A HA -0.010 4.310 4.320 -0.000 0.000 0.238 38 A C 0.459 178.028 177.584 -0.026 0.000 1.074 38 A CA 0.099 52.059 52.037 -0.128 0.000 0.774 38 A CB 0.214 19.131 19.000 -0.139 0.000 1.015 38 A HN -0.019 nan 8.150 nan 0.000 0.498 39 D N 0.027 120.405 120.400 -0.036 0.000 2.194 39 D HA -0.030 4.610 4.640 -0.000 0.000 0.204 39 D C 0.509 176.823 176.300 0.024 0.000 0.964 39 D CA 0.908 54.903 54.000 -0.008 0.000 0.846 39 D CB -0.203 40.599 40.800 0.003 0.000 0.962 39 D HN 0.687 nan 8.370 nan 0.000 0.490 40 D N 0.372 120.789 120.400 0.029 0.000 2.362 40 D HA -0.088 4.552 4.640 -0.000 0.000 0.238 40 D C 0.408 176.751 176.300 0.072 0.000 1.212 40 D CA -0.041 53.998 54.000 0.065 0.000 0.902 40 D CB 0.470 41.304 40.800 0.055 0.000 1.180 40 D HN -0.257 nan 8.370 nan 0.000 0.445 41 N N 0.519 119.265 118.700 0.077 0.000 2.484 41 N HA 0.046 4.786 4.740 -0.000 0.000 0.245 41 N C -0.930 174.624 175.510 0.073 0.000 1.184 41 N CA -0.178 52.908 53.050 0.060 0.000 0.884 41 N CB -0.286 38.226 38.487 0.041 0.000 1.182 41 N HN 0.354 nan 8.380 nan 0.000 0.493 42 T N -2.196 112.432 114.554 0.124 0.000 2.943 42 T HA 0.672 5.022 4.350 -0.000 0.000 0.284 42 T C 0.056 174.860 174.700 0.174 0.000 1.015 42 T CA -0.730 61.453 62.100 0.138 0.000 1.042 42 T CB 1.731 70.710 68.868 0.185 0.000 1.055 42 T HN -0.060 nan 8.240 nan 0.000 0.500 43 I N 0.503 121.094 120.570 0.036 0.000 2.647 43 I HA 0.515 4.685 4.170 -0.000 0.000 0.295 43 I C -0.110 175.902 176.117 -0.176 0.000 1.078 43 I CA -0.861 60.429 61.300 -0.016 0.000 1.048 43 I CB 2.416 40.423 38.000 0.011 0.000 1.239 43 I HN 0.626 nan 8.210 nan 0.000 0.421 44 R N 6.102 126.500 120.500 -0.170 0.000 2.343 44 R HA 0.753 5.093 4.340 -0.000 0.000 0.320 44 R C -1.538 174.953 176.300 0.319 0.000 0.956 44 R CA -0.423 55.654 56.100 -0.039 0.000 0.836 44 R CB 0.913 31.080 30.300 -0.222 0.000 1.151 44 R HN 0.629 nan 8.270 nan 0.000 0.450 45 I N 3.398 124.158 120.570 0.316 0.000 2.474 45 I HA 0.229 4.399 4.170 -0.000 0.000 0.294 45 I C -0.396 175.946 176.117 0.375 0.000 1.005 45 I CA -0.711 60.769 61.300 0.301 0.000 1.113 45 I CB 2.123 40.221 38.000 0.163 0.000 1.289 45 I HN 0.547 nan 8.210 nan 0.000 0.436 46 Q N 5.866 125.835 119.800 0.281 0.000 2.425 46 Q HA 0.367 4.707 4.340 -0.000 0.000 0.254 46 Q C -0.555 175.450 176.000 0.008 0.000 1.032 46 Q CA -0.587 55.240 55.803 0.039 0.000 0.798 46 Q CB 1.245 30.063 28.738 0.133 0.000 1.210 46 Q HN 0.831 nan 8.270 nan 0.000 0.491 47 T N -0.843 113.726 114.554 0.025 0.000 2.893 47 T HA 0.353 4.703 4.350 -0.000 0.000 0.279 47 T C 0.993 175.714 174.700 0.035 0.000 0.991 47 T CA -0.005 62.117 62.100 0.036 0.000 0.950 47 T CB 1.263 70.189 68.868 0.097 0.000 1.223 47 T HN 0.478 nan 8.240 nan 0.000 0.585 48 S N -1.095 114.544 115.700 -0.101 0.000 2.524 48 S HA 0.486 4.956 4.470 -0.000 0.000 0.215 48 S C 0.779 175.309 174.600 -0.117 0.000 0.986 48 S CA -0.237 57.781 58.200 -0.304 0.000 0.911 48 S CB -0.396 62.225 63.200 -0.965 0.000 0.805 48 S HN 1.087 nan 8.310 nan 0.000 0.501 49 A N 1.272 123.976 122.820 -0.193 0.000 2.303 49 A HA 0.657 4.977 4.320 -0.000 0.000 0.317 49 A C -0.215 176.901 177.584 -0.780 0.000 1.149 49 A CA -0.699 51.130 52.037 -0.346 0.000 0.822 49 A CB 0.709 19.535 19.000 -0.290 0.000 1.131 49 A HN 0.500 nan 8.150 nan 0.000 0.493 50 Q N 0.390 119.792 119.800 -0.662 0.000 2.241 50 Q HA 0.563 4.903 4.340 -0.000 0.000 0.254 50 Q C -1.531 174.181 176.000 -0.480 0.000 0.917 50 Q CA 0.141 55.545 55.803 -0.665 0.000 0.919 50 Q CB 1.424 29.936 28.738 -0.378 0.000 1.237 50 Q HN 0.658 nan 8.270 nan 0.000 0.434 51 F N -0.986 119.021 119.950 0.096 0.000 2.556 51 F HA 0.553 5.080 4.527 -0.000 0.000 0.327 51 F C 1.152 176.842 175.800 -0.184 0.000 1.059 51 F CA -0.470 57.542 58.000 0.020 0.000 0.953 51 F CB 2.009 40.984 39.000 -0.042 0.000 1.227 51 F HN 0.748 nan 8.300 nan 0.000 0.478 52 G N 0.616 109.359 108.800 -0.095 0.000 2.176 52 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.253 52 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.253 52 G C -0.787 173.676 174.900 -0.729 0.000 0.979 52 G CA -0.256 44.568 45.100 -0.460 0.000 0.641 52 G HN 0.614 nan 8.290 nan 0.000 0.530 53 Y N 0.363 120.714 120.300 0.085 0.000 2.553 53 Y HA 0.560 5.110 4.550 -0.000 0.000 0.347 53 Y C 0.710 176.620 175.900 0.016 0.000 1.019 53 Y CA -0.779 57.350 58.100 0.048 0.000 1.032 53 Y CB 1.323 39.802 38.460 0.032 0.000 1.284 53 Y HN 0.119 nan 8.280 nan 0.000 0.466 54 D N -0.280 120.215 120.400 0.158 0.000 2.502 54 D HA -0.024 4.616 4.640 -0.000 0.000 0.271 54 D C 1.115 177.441 176.300 0.043 0.000 1.228 54 D CA 0.724 54.760 54.000 0.059 0.000 1.032 54 D CB -0.200 40.624 40.800 0.039 0.000 0.925 54 D HN 0.462 nan 8.370 nan 0.000 0.248 55 Q N 0.002 119.819 119.800 0.028 0.000 2.062 55 Q HA 0.137 4.477 4.340 -0.000 0.000 0.196 55 Q C 0.919 176.930 176.000 0.018 0.000 0.967 55 Q CA 0.703 56.512 55.803 0.010 0.000 0.832 55 Q CB -0.029 28.710 28.738 0.002 0.000 0.899 55 Q HN 0.283 nan 8.270 nan 0.000 0.442 56 S N -0.606 115.115 115.700 0.035 0.000 2.738 56 S HA 0.484 4.954 4.470 -0.000 0.000 0.284 56 S C 0.382 175.018 174.600 0.061 0.000 1.146 56 S CA -0.468 57.752 58.200 0.033 0.000 0.997 56 S CB 1.268 64.486 63.200 0.031 0.000 1.081 56 S HN 0.358 nan 8.310 nan 0.000 0.553 57 G N 0.378 109.187 108.800 0.015 0.000 3.008 57 G HA2 0.479 4.439 3.960 -0.000 0.000 0.272 57 G HA3 0.479 4.439 3.960 -0.000 0.000 0.272 57 G C 0.148 175.169 174.900 0.202 0.000 0.764 57 G CA 0.015 45.071 45.100 -0.074 0.000 2.029 57 G HN 0.737 nan 8.290 nan 0.000 0.587 58 A N 1.401 124.443 122.820 0.370 0.000 3.444 58 A HA 0.924 5.244 4.320 -0.000 0.000 0.189 58 A C 0.695 178.488 177.584 0.350 0.000 1.542 58 A CA 0.026 52.247 52.037 0.307 0.000 0.867 58 A CB 0.755 19.857 19.000 0.169 0.000 1.712 58 A HN 1.333 nan 8.150 nan 0.000 0.556 59 A N 0.765 123.694 122.820 0.181 0.000 3.204 59 A HA 0.557 4.877 4.320 -0.000 0.000 0.327 59 A C -0.084 177.530 177.584 0.050 0.000 0.998 59 A CA 0.154 52.256 52.037 0.108 0.000 0.891 59 A CB -0.606 18.461 19.000 0.112 0.000 1.061 59 A HN 1.196 nan 8.150 nan 0.000 0.478 60 S N 0.559 116.268 115.700 0.015 0.000 2.434 60 S HA 0.506 4.976 4.470 -0.000 0.000 0.318 60 S C 1.161 175.756 174.600 -0.009 0.000 1.062 60 S CA 0.006 58.212 58.200 0.010 0.000 1.116 60 S CB 1.356 64.567 63.200 0.020 0.000 0.977 60 S HN 1.038 nan 8.310 nan 0.000 0.480 61 A N 2.936 125.770 122.820 0.023 0.000 1.986 61 A HA -0.149 4.171 4.320 -0.000 0.000 0.220 61 A C 1.442 179.081 177.584 0.091 0.000 1.171 61 A CA 1.799 53.870 52.037 0.057 0.000 0.640 61 A CB -0.577 18.460 19.000 0.062 0.000 0.811 61 A HN 0.773 nan 8.150 nan 0.000 0.451 62 N N -0.565 118.169 118.700 0.057 0.000 2.642 62 N HA 0.191 4.931 4.740 -0.000 0.000 0.308 62 N C -1.309 174.220 175.510 0.031 0.000 1.914 62 N CA -0.215 52.867 53.050 0.052 0.000 0.893 62 N CB 0.178 38.703 38.487 0.064 0.000 1.322 62 N HN 0.063 nan 8.380 nan 0.000 0.490 63 K N 0.961 121.375 120.400 0.023 0.000 2.527 63 K HA 0.283 4.603 4.320 -0.000 0.000 0.260 63 K C -1.390 175.274 176.600 0.106 0.000 0.937 63 K CA -0.589 55.716 56.287 0.030 0.000 0.826 63 K CB 1.780 34.274 32.500 -0.011 0.000 1.359 63 K HN 0.234 nan 8.250 nan 0.000 0.434 64 Y N -0.940 119.389 120.300 0.049 0.000 2.662 64 Y HA 0.765 5.315 4.550 -0.000 0.000 0.335 64 Y C -0.417 175.549 175.900 0.110 0.000 1.066 64 Y CA -1.275 56.883 58.100 0.097 0.000 1.116 64 Y CB 1.495 40.075 38.460 0.199 0.000 1.308 64 Y HN 0.594 nan 8.280 nan 0.000 0.502 65 R N 0.562 121.175 120.500 0.190 0.000 2.774 65 R HA 0.733 5.073 4.340 -0.000 0.000 0.272 65 R C -2.028 174.470 176.300 0.329 0.000 1.000 65 R CA -0.836 55.373 56.100 0.183 0.000 0.906 65 R CB 2.378 32.717 30.300 0.066 0.000 1.227 65 R HN 0.977 nan 8.270 nan 0.000 0.468 69 L N 1.453 122.730 121.223 0.091 0.000 2.141 69 L HA 0.034 4.374 4.340 -0.000 0.000 0.209 69 L C 1.622 178.551 176.870 0.098 0.000 1.094 69 L CA 1.953 56.868 54.840 0.124 0.000 0.763 69 L CB -0.632 41.497 42.059 0.117 0.000 0.908 69 L HN 0.664 nan 8.230 nan 0.000 0.437 70 K N -0.971 119.469 120.400 0.066 0.000 3.383 70 K HA 0.007 4.327 4.320 -0.000 0.000 0.164 70 K C 0.777 177.418 176.600 0.068 0.000 1.145 70 K CA 0.179 56.499 56.287 0.054 0.000 1.507 70 K CB 0.329 32.845 32.500 0.026 0.000 2.086 70 K HN 0.030 nan 8.250 nan 0.000 0.502 71 Q N 0.024 119.846 119.800 0.037 0.000 1.820 71 Q HA 0.016 4.356 4.340 -0.000 0.000 0.179 71 Q C -0.918 175.056 176.000 -0.043 0.000 0.798 71 Q CA 0.162 55.990 55.803 0.042 0.000 0.887 71 Q CB 0.839 29.605 28.738 0.046 0.000 1.240 71 Q HN 0.501 nan 8.270 nan 0.000 0.394 72 D N -0.061 120.321 120.400 -0.032 0.000 2.379 72 D HA -0.073 4.567 4.640 -0.000 0.000 0.243 72 D C -0.032 176.270 176.300 0.003 0.000 1.088 72 D CA 0.345 54.309 54.000 -0.061 0.000 0.925 72 D CB 0.005 40.791 40.800 -0.023 0.000 0.888 72 D HN 0.193 nan 8.370 nan 0.000 0.529 73 H N -1.642 117.433 119.070 0.009 0.000 3.179 73 H HA -0.154 4.402 4.556 0.000 0.000 0.250 73 H C -0.335 174.977 175.328 -0.026 0.000 1.142 73 H CA 0.915 56.964 56.048 0.003 0.000 1.165 73 H CB -2.746 27.023 29.762 0.013 0.000 1.253 73 H HN 0.236 nan 8.280 nan 0.000 0.325 74 T N 0.015 114.609 114.554 0.066 0.000 2.754 74 T HA 0.342 4.692 4.350 -0.000 0.000 0.282 74 T C 1.059 175.706 174.700 -0.088 0.000 0.923 74 T CA -0.087 62.005 62.100 -0.013 0.000 1.164 74 T CB 1.039 69.886 68.868 -0.035 0.000 0.873 74 T HN 0.128 nan 8.240 nan 0.000 0.537 75 V N 5.206 125.068 119.914 -0.086 0.000 2.096 75 V HA 0.132 4.252 4.120 -0.000 0.000 0.259 75 V C 1.107 177.095 176.094 -0.177 0.000 1.420 75 V CA -0.887 61.325 62.300 -0.146 0.000 1.336 75 V CB -1.308 30.469 31.823 -0.077 0.000 1.394 75 V HN 0.821 nan 8.190 nan 0.000 0.494 76 K N 2.102 122.326 120.400 -0.294 0.000 2.180 76 K HA 0.515 4.835 4.320 -0.000 0.000 0.251 76 K C -0.091 176.441 176.600 -0.113 0.000 1.014 76 K CA -0.590 55.580 56.287 -0.194 0.000 0.913 76 K CB 1.666 34.075 32.500 -0.152 0.000 1.008 76 K HN 0.558 nan 8.250 nan 0.000 0.490 77 E N 0.017 120.215 120.200 -0.004 0.000 2.336 77 E HA 0.519 4.869 4.350 -0.000 0.000 0.267 77 E C -0.992 175.507 176.600 -0.167 0.000 0.906 77 E CA -1.091 55.268 56.400 -0.069 0.000 0.781 77 E CB 2.073 31.715 29.700 -0.098 0.000 1.261 77 E HN 0.800 nan 8.360 nan 0.000 0.436 78 G N 0.296 108.708 108.800 -0.647 0.000 3.022 78 G HA2 0.416 4.376 3.960 -0.000 0.000 0.284 78 G HA3 0.416 4.376 3.960 -0.000 0.000 0.284 78 G C -0.895 173.725 174.900 -0.468 0.000 1.375 78 G CA -0.256 44.511 45.100 -0.555 0.000 0.902 78 G HN 0.489 nan 8.290 nan 0.000 0.538 82 D N 0.591 121.009 120.400 0.030 0.000 2.388 82 D HA 0.282 4.922 4.640 -0.000 0.000 0.221 82 D C 0.134 176.382 176.300 -0.087 0.000 1.133 82 D CA 0.038 54.038 54.000 0.000 0.000 0.831 82 D CB 0.931 41.761 40.800 0.050 0.000 0.962 82 D HN 0.383 nan 8.370 nan 0.000 0.502 83 I N 1.383 121.849 120.570 -0.173 0.000 2.312 83 I HA 0.203 4.373 4.170 -0.000 0.000 0.290 83 I C 0.244 176.260 176.117 -0.169 0.000 1.008 83 I CA -0.328 60.818 61.300 -0.257 0.000 1.226 83 I CB 0.967 38.701 38.000 -0.442 0.000 1.371 83 I HN -0.472 nan 8.210 nan 0.000 0.468 84 K N 7.121 127.447 120.400 -0.125 0.000 2.371 84 K HA 0.656 4.976 4.320 -0.000 0.000 0.251 84 K C -0.899 175.651 176.600 -0.084 0.000 0.934 84 K CA -0.811 55.424 56.287 -0.087 0.000 0.798 84 K CB 3.130 35.595 32.500 -0.058 0.000 1.204 84 K HN 0.443 nan 8.250 nan 0.000 0.427 85 I N 1.164 121.691 120.570 -0.071 0.000 2.676 85 I HA 0.326 4.496 4.170 -0.000 0.000 0.309 85 I C 0.123 176.204 176.117 -0.060 0.000 0.990 85 I CA -0.486 60.775 61.300 -0.065 0.000 1.168 85 I CB 1.903 39.870 38.000 -0.056 0.000 1.343 85 I HN 0.719 nan 8.210 nan 0.000 0.482 86 S N 0.780 116.441 115.700 -0.065 0.000 2.543 86 S HA 0.479 4.949 4.470 -0.000 0.000 0.274 86 S C -0.294 174.262 174.600 -0.074 0.000 1.149 86 S CA -0.188 57.973 58.200 -0.066 0.000 0.866 86 S CB 1.874 65.032 63.200 -0.070 0.000 1.111 86 S HN 0.771 nan 8.310 nan 0.000 0.457 87 T N -1.748 112.765 114.554 -0.068 0.000 3.397 87 T HA 0.374 4.724 4.350 -0.000 0.000 0.233 87 T C 1.206 175.857 174.700 -0.082 0.000 0.969 87 T CA 0.781 62.835 62.100 -0.076 0.000 1.316 87 T CB -0.307 68.526 68.868 -0.059 0.000 1.175 87 T HN 1.078 nan 8.240 nan 0.000 0.381 88 S N 0.647 116.308 115.700 -0.065 0.000 2.937 88 S HA 0.653 5.123 4.470 -0.000 0.000 0.252 88 S C 0.301 174.872 174.600 -0.048 0.000 1.022 88 S CA 0.198 58.361 58.200 -0.061 0.000 1.079 88 S CB -0.111 63.055 63.200 -0.056 0.000 1.035 88 S HN 1.079 nan 8.310 nan 0.000 0.594 89 G N 1.348 110.121 108.800 -0.046 0.000 2.578 89 G HA2 0.528 4.488 3.960 -0.000 0.000 0.302 89 G HA3 0.528 4.488 3.960 -0.000 0.000 0.302 89 G C -3.379 171.500 174.900 -0.036 0.000 1.243 89 G CA -0.699 44.379 45.100 -0.036 0.000 0.843 89 G HN 0.200 nan 8.290 nan 0.000 0.486 90 P HA 0.532 nan 4.420 nan 0.000 0.272 90 P C -0.770 176.511 177.300 -0.032 0.000 1.240 90 P CA -0.256 62.827 63.100 -0.028 0.000 0.791 90 P CB 0.954 32.641 31.700 -0.022 0.000 0.978 91 c N 1.363 119.943 118.600 -0.034 0.000 2.701 91 c HA 0.423 4.993 4.570 -0.000 0.000 0.336 91 c C -0.688 173.380 174.090 -0.037 0.000 1.123 91 c CA -0.662 55.645 56.329 -0.036 0.000 1.326 91 c CB 1.589 44.074 42.510 -0.042 0.000 1.833 91 c HN 0.462 nan 8.230 nan 0.000 0.473 92 R N 2.987 123.465 120.500 -0.037 0.000 2.265 92 R HA 0.410 4.750 4.340 -0.000 0.000 0.328 92 R C 0.322 176.588 176.300 -0.057 0.000 0.969 92 R CA -0.418 55.658 56.100 -0.039 0.000 0.832 92 R CB 0.952 31.231 30.300 -0.034 0.000 1.139 92 R HN 0.839 nan 8.270 nan 0.000 0.457 93 R N 2.157 122.622 120.500 -0.058 0.000 2.822 93 R HA 0.151 4.491 4.340 -0.000 0.000 0.277 93 R C 0.126 176.340 176.300 -0.144 0.000 1.102 93 R CA -0.469 55.576 56.100 -0.092 0.000 1.207 93 R CB 0.522 30.796 30.300 -0.042 0.000 1.139 93 R HN 0.427 nan 8.270 nan 0.000 0.557 94 L N -0.700 120.387 121.223 -0.228 0.000 2.688 94 L HA 0.159 4.499 4.340 -0.000 0.000 0.216 94 L C -0.034 176.604 176.870 -0.386 0.000 1.036 94 L CA 1.086 55.772 54.840 -0.257 0.000 0.906 94 L CB -0.033 41.897 42.059 -0.215 0.000 1.501 94 L HN 0.946 nan 8.230 nan 0.000 0.489 95 S N -1.165 114.268 115.700 -0.445 0.000 2.569 95 S HA 0.672 5.142 4.470 -0.000 0.000 0.280 95 S C -1.501 172.962 174.600 -0.228 0.000 1.111 95 S CA -0.534 57.423 58.200 -0.405 0.000 0.887 95 S CB 1.867 64.989 63.200 -0.129 0.000 1.095 95 S HN 0.089 nan 8.310 nan 0.000 0.476 96 Y N 0.328 120.734 120.300 0.177 0.000 2.335 96 Y HA 0.736 5.286 4.550 -0.000 0.000 0.338 96 Y C 0.235 176.347 175.900 0.353 0.000 0.977 96 Y CA -1.285 56.936 58.100 0.201 0.000 1.114 96 Y CB 1.594 40.077 38.460 0.038 0.000 1.182 96 Y HN 0.716 nan 8.280 nan 0.000 0.463 97 K N 2.051 122.807 120.400 0.594 0.000 3.022 97 K HA 0.500 4.820 4.320 -0.000 0.000 0.178 97 K C 0.733 177.602 176.600 0.449 0.000 1.089 97 K CA 0.279 56.743 56.287 0.295 0.000 0.916 97 K CB 0.161 32.478 32.500 -0.306 0.000 1.159 97 K HN 0.862 nan 8.250 nan 0.000 0.592 98 G N 1.285 110.358 108.800 0.453 0.000 3.729 98 G HA2 -0.423 3.537 3.960 -0.000 0.000 0.327 98 G HA3 -0.423 3.537 3.960 -0.000 0.000 0.327 98 G C 0.790 175.780 174.900 0.150 0.000 1.293 98 G CA 0.802 46.123 45.100 0.368 0.000 1.011 98 G HN 0.455 nan 8.290 nan 0.000 0.673 99 Y N 1.033 121.500 120.300 0.279 0.000 2.482 99 Y HA 0.542 5.092 4.550 0.000 0.000 0.270 99 Y C 1.105 177.038 175.900 0.055 0.000 1.152 99 Y CA 0.125 58.239 58.100 0.023 0.000 1.292 99 Y CB 0.225 38.611 38.460 -0.124 0.000 1.070 99 Y HN 0.215 nan 8.280 nan 0.000 0.528 100 F N 0.171 120.426 119.950 0.508 0.000 2.458 100 F HA 0.533 5.060 4.527 0.000 0.000 0.330 100 F C -0.170 175.973 175.800 0.572 0.000 1.082 100 F CA -1.024 57.275 58.000 0.498 0.000 0.995 100 F CB 1.169 40.393 39.000 0.373 0.000 1.170 100 F HN -0.382 nan 8.300 nan 0.000 0.478 101 L N 2.865 124.437 121.223 0.582 0.000 2.303 101 L HA 0.709 5.049 4.340 -0.000 0.000 0.266 101 L C -1.278 175.669 176.870 0.129 0.000 1.011 101 L CA -1.203 53.813 54.840 0.293 0.000 0.818 101 L CB 2.521 44.654 42.059 0.124 0.000 1.326 101 L HN 0.537 nan 8.230 nan 0.000 0.435 102 L N 1.609 122.749 121.223 -0.138 0.000 2.580 102 L HA 0.759 5.099 4.340 -0.000 0.000 0.266 102 L C -1.207 175.515 176.870 -0.248 0.000 0.955 102 L CA 0.061 54.697 54.840 -0.341 0.000 0.886 102 L CB 1.519 43.028 42.059 -0.916 0.000 1.263 102 L HN 0.763 nan 8.230 nan 0.000 0.406 103 A N 4.169 126.898 122.820 -0.152 0.000 2.564 103 A HA 0.733 5.053 4.320 -0.000 0.000 0.288 103 A C -1.550 175.997 177.584 -0.063 0.000 1.164 103 A CA -0.789 51.187 52.037 -0.103 0.000 0.712 103 A CB 1.973 20.929 19.000 -0.073 0.000 1.303 103 A HN 0.550 nan 8.150 nan 0.000 0.418 104 K N 0.249 120.622 120.400 -0.044 0.000 2.265 104 K HA 0.575 4.895 4.320 -0.000 0.000 0.267 104 K C -1.446 175.143 176.600 -0.019 0.000 0.994 104 K CA -0.254 56.022 56.287 -0.017 0.000 0.860 104 K CB 1.168 33.663 32.500 -0.008 0.000 1.099 104 K HN 0.705 nan 8.250 nan 0.000 0.448 105 c N 3.670 122.262 118.600 -0.013 0.000 2.719 105 c HA 0.491 5.061 4.570 -0.000 0.000 0.327 105 c C -1.439 172.641 174.090 -0.017 0.000 1.238 105 c CA -1.466 54.851 56.329 -0.020 0.000 1.727 105 c CB 1.574 44.069 42.510 -0.025 0.000 2.256 105 c HN 0.700 nan 8.230 nan 0.000 0.489 106 P HA 0.167 nan 4.420 nan 0.000 0.199 106 P C -1.599 175.684 177.300 -0.029 0.000 1.201 106 P CA 1.126 64.212 63.100 -0.024 0.000 0.880 106 P CB -0.980 30.704 31.700 -0.026 0.000 0.714 107 P HA 0.083 nan 4.420 nan 0.000 0.203 107 P C 0.432 177.708 177.300 -0.039 0.000 1.211 107 P CA 1.616 64.693 63.100 -0.038 0.000 0.913 107 P CB -0.484 31.192 31.700 -0.042 0.000 0.745 108 G N -0.285 108.489 108.800 -0.044 0.000 2.511 108 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.205 108 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.205 108 G C 0.031 174.900 174.900 -0.052 0.000 1.098 108 G CA 0.083 45.156 45.100 -0.045 0.000 0.812 108 G HN 0.262 nan 8.290 nan 0.000 0.497 109 D N -0.011 120.353 120.400 -0.060 0.000 2.338 109 D HA 0.235 4.875 4.640 -0.000 0.000 0.224 109 D C 1.715 177.968 176.300 -0.078 0.000 0.967 109 D CA 1.714 55.675 54.000 -0.066 0.000 0.896 109 D CB 0.655 41.415 40.800 -0.067 0.000 1.028 109 D HN 0.807 nan 8.370 nan 0.000 0.493 110 S N -1.372 114.272 115.700 -0.093 0.000 2.705 110 S HA 0.679 5.149 4.470 -0.000 0.000 0.280 110 S C -1.170 173.369 174.600 -0.101 0.000 1.174 110 S CA -0.747 57.388 58.200 -0.107 0.000 0.823 110 S CB 1.963 65.071 63.200 -0.154 0.000 1.162 110 S HN -0.191 nan 8.310 nan 0.000 0.487 111 V N 1.171 121.023 119.914 -0.103 0.000 2.638 111 V HA 0.680 4.800 4.120 -0.000 0.000 0.306 111 V C -0.858 175.176 176.094 -0.100 0.000 1.052 111 V CA -0.420 61.829 62.300 -0.086 0.000 0.885 111 V CB 1.790 33.579 31.823 -0.057 0.000 0.999 111 V HN 1.034 nan 8.190 nan 0.000 0.424 112 T N 3.932 118.425 114.554 -0.103 0.000 2.864 112 T HA 0.537 4.887 4.350 -0.000 0.000 0.299 112 T C -0.499 174.147 174.700 -0.090 0.000 1.011 112 T CA -0.399 61.633 62.100 -0.114 0.000 0.975 112 T CB 1.462 70.235 68.868 -0.158 0.000 0.962 112 T HN 0.348 nan 8.240 nan 0.000 0.448 113 V N 3.918 123.789 119.914 -0.071 0.000 2.398 113 V HA 0.792 4.912 4.120 -0.000 0.000 0.286 113 V C 0.127 176.176 176.094 -0.075 0.000 1.026 113 V CA -0.640 61.625 62.300 -0.059 0.000 0.868 113 V CB 1.264 33.077 31.823 -0.018 0.000 0.982 113 V HN 1.065 nan 8.190 nan 0.000 0.443 114 S N 4.664 120.310 115.700 -0.089 0.000 2.607 114 S HA 0.793 5.263 4.470 -0.000 0.000 0.273 114 S C -1.051 173.493 174.600 -0.094 0.000 1.148 114 S CA -0.923 57.225 58.200 -0.087 0.000 0.833 114 S CB 1.991 65.123 63.200 -0.114 0.000 1.130 114 S HN 0.454 nan 8.310 nan 0.000 0.470 115 I N 1.706 122.233 120.570 -0.072 0.000 2.378 115 I HA 0.407 4.577 4.170 -0.000 0.000 0.291 115 I C -0.191 175.921 176.117 -0.009 0.000 0.992 115 I CA -1.188 60.053 61.300 -0.098 0.000 1.154 115 I CB 1.977 39.878 38.000 -0.165 0.000 1.315 115 I HN 0.643 nan 8.210 nan 0.000 0.448 116 V N 1.826 121.735 119.914 -0.007 0.000 2.776 116 V HA 0.263 4.383 4.120 -0.000 0.000 0.332 116 V C 0.714 176.820 176.094 0.020 0.000 1.201 116 V CA -0.228 62.086 62.300 0.024 0.000 1.401 116 V CB 0.090 31.928 31.823 0.026 0.000 1.552 116 V HN 0.822 nan 8.190 nan 0.000 0.605 117 S N 2.519 118.235 115.700 0.026 0.000 2.110 117 S HA 0.029 4.500 4.470 -0.000 0.000 0.152 117 S C 1.423 176.044 174.600 0.035 0.000 1.404 117 S CA 0.965 59.191 58.200 0.043 0.000 2.390 117 S CB -0.063 63.175 63.200 0.064 0.000 0.276 117 S HN 1.165 nan 8.310 nan 0.000 0.349 118 S N 1.269 116.992 115.700 0.039 0.000 3.812 118 S HA 0.387 4.857 4.470 -0.000 0.000 0.195 118 S C 0.130 174.744 174.600 0.024 0.000 1.460 118 S CA -0.252 57.967 58.200 0.031 0.000 1.052 118 S CB -0.696 62.525 63.200 0.035 0.000 1.385 118 S HN 0.654 nan 8.310 nan 0.000 0.490 119 N N 0.206 118.914 118.700 0.015 0.000 2.849 119 N HA -0.181 4.559 4.740 -0.000 0.000 0.200 119 N C -0.165 175.341 175.510 -0.007 0.000 1.129 119 N CA 1.864 54.915 53.050 0.002 0.000 1.320 119 N CB -1.946 36.544 38.487 0.005 0.000 0.945 119 N HN 0.804 nan 8.380 nan 0.000 0.554 120 S N 0.393 116.101 115.700 0.013 0.000 2.465 120 S HA 0.628 5.098 4.470 -0.000 0.000 0.280 120 S C 0.281 174.887 174.600 0.010 0.000 1.232 120 S CA -0.037 58.174 58.200 0.019 0.000 1.066 120 S CB 1.627 64.861 63.200 0.057 0.000 0.929 120 S HN 0.577 nan 8.310 nan 0.000 0.494 121 A N 3.858 126.659 122.820 -0.032 0.000 2.431 121 A HA 0.624 4.944 4.320 -0.000 0.000 0.318 121 A C 0.303 177.962 177.584 0.125 0.000 1.330 121 A CA -0.878 51.148 52.037 -0.018 0.000 0.804 121 A CB 0.292 19.139 19.000 -0.254 0.000 1.135 121 A HN 0.796 nan 8.150 nan 0.000 0.483 122 T N 0.365 115.022 114.554 0.173 0.000 2.867 122 T HA 0.744 5.094 4.350 -0.000 0.000 0.282 122 T C -0.036 174.754 174.700 0.150 0.000 1.000 122 T CA -0.364 61.851 62.100 0.192 0.000 1.042 122 T CB 1.355 70.290 68.868 0.111 0.000 0.973 122 T HN 1.351 nan 8.240 nan 0.000 0.465 123 S N 0.670 116.422 115.700 0.086 0.000 2.652 123 S HA 0.431 4.901 4.470 -0.000 0.000 0.273 123 S C -0.542 174.047 174.600 -0.018 0.000 1.172 123 S CA -1.060 57.103 58.200 -0.063 0.000 1.009 123 S CB 0.547 63.548 63.200 -0.333 0.000 1.094 123 S HN 1.091 nan 8.310 nan 0.000 0.471 124 c N 3.698 122.288 118.600 -0.017 0.000 2.405 124 c HA 0.920 5.490 4.570 -0.000 0.000 0.365 124 c C 0.599 174.681 174.090 -0.014 0.000 1.233 124 c CA 0.633 56.966 56.329 0.006 0.000 2.230 124 c CB 0.431 42.930 42.510 -0.017 0.000 2.443 124 c HN 1.182 nan 8.230 nan 0.000 0.556 125 T N 5.038 119.596 114.554 0.007 0.000 2.909 125 T HA 0.622 4.972 4.350 -0.000 0.000 0.299 125 T C -1.279 173.386 174.700 -0.058 0.000 1.073 125 T CA -0.627 61.431 62.100 -0.070 0.000 0.999 125 T CB 1.416 70.165 68.868 -0.199 0.000 1.098 125 T HN 0.837 nan 8.240 nan 0.000 0.477 126 L N 3.189 124.366 121.223 -0.077 0.000 2.342 126 L HA 0.875 5.215 4.340 -0.000 0.000 0.271 126 L C 0.275 177.098 176.870 -0.078 0.000 1.008 126 L CA -0.613 54.190 54.840 -0.062 0.000 0.818 126 L CB 1.668 43.695 42.059 -0.053 0.000 1.296 126 L HN 0.916 nan 8.230 nan 0.000 0.427 127 A N 4.995 127.777 122.820 -0.063 0.000 3.135 127 A HA 0.378 4.698 4.320 -0.000 0.000 0.253 127 A C 0.356 177.901 177.584 -0.065 0.000 1.638 127 A CA -0.309 51.689 52.037 -0.066 0.000 1.295 127 A CB -0.754 18.216 19.000 -0.050 0.000 1.106 127 A HN 0.655 nan 8.150 nan 0.000 0.648 128 R N 0.451 120.909 120.500 -0.070 0.000 2.668 128 R HA 0.466 4.806 4.340 -0.000 0.000 0.279 128 R C -0.742 175.521 176.300 -0.062 0.000 0.976 128 R CA -0.598 55.461 56.100 -0.068 0.000 0.978 128 R CB 1.104 31.358 30.300 -0.075 0.000 1.133 128 R HN 0.366 nan 8.270 nan 0.000 0.484 129 K N 4.237 124.603 120.400 -0.056 0.000 2.316 129 K HA 0.334 4.654 4.320 -0.000 0.000 0.267 129 K C -0.746 175.827 176.600 -0.044 0.000 1.025 129 K CA -0.424 55.833 56.287 -0.051 0.000 0.896 129 K CB 0.716 33.187 32.500 -0.049 0.000 1.124 129 K HN 0.443 nan 8.250 nan 0.000 0.451 130 I N 3.438 123.984 120.570 -0.040 0.000 2.440 130 I HA 0.296 4.466 4.170 -0.000 0.000 0.294 130 I C -0.114 175.982 176.117 -0.036 0.000 0.995 130 I CA -0.709 60.573 61.300 -0.030 0.000 1.306 130 I CB 1.445 39.432 38.000 -0.022 0.000 1.407 130 I HN 0.386 nan 8.210 nan 0.000 0.501 131 K N 4.976 125.354 120.400 -0.036 0.000 2.267 131 K HA 0.509 4.829 4.320 -0.000 0.000 0.246 131 K C -2.590 173.982 176.600 -0.046 0.000 0.954 131 K CA -1.739 54.520 56.287 -0.048 0.000 0.824 131 K CB 1.141 33.605 32.500 -0.061 0.000 1.167 131 K HN 0.242 nan 8.250 nan 0.000 0.431 132 P HA 0.029 nan 4.420 nan 0.000 0.265 132 P C -1.290 175.979 177.300 -0.053 0.000 1.222 132 P CA 0.015 63.088 63.100 -0.045 0.000 0.767 132 P CB 0.345 32.021 31.700 -0.041 0.000 0.801 133 K N 3.924 124.290 120.400 -0.056 0.000 2.265 133 K HA 0.482 4.802 4.320 -0.000 0.000 0.267 133 K C -0.555 175.989 176.600 -0.094 0.000 0.994 133 K CA -0.621 55.612 56.287 -0.090 0.000 0.860 133 K CB 0.927 33.392 32.500 -0.057 0.000 1.099 133 K HN 0.427 nan 8.250 nan 0.000 0.448 134 F N 0.675 120.471 119.950 -0.257 0.000 2.539 134 F HA 0.342 4.869 4.527 0.000 0.000 0.318 134 F C 0.341 176.093 175.800 -0.079 0.000 1.135 134 F CA -1.119 56.644 58.000 -0.395 0.000 0.915 134 F CB 0.837 39.376 39.000 -0.768 0.000 1.176 134 F HN 0.230 nan 8.300 nan 0.000 0.440 135 V N 4.413 124.407 119.914 0.133 0.000 2.302 135 V HA 0.195 4.315 4.120 -0.000 0.000 0.243 135 V C 1.601 177.783 176.094 0.148 0.000 1.036 135 V CA 1.820 64.163 62.300 0.073 0.000 1.020 135 V CB -0.728 31.180 31.823 0.142 0.000 0.657 135 V HN 1.098 nan 8.190 nan 0.000 0.453 136 G N -0.253 108.811 108.800 0.439 0.000 2.597 136 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.283 136 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.283 136 G C 0.561 175.695 174.900 0.389 0.000 1.319 136 G CA -0.155 45.158 45.100 0.355 0.000 1.054 136 G HN 0.517 nan 8.290 nan 0.000 0.583 137 R N -0.250 120.397 120.500 0.245 0.000 2.334 137 R HA 0.113 4.453 4.340 -0.000 0.000 0.220 137 R C -0.038 176.369 176.300 0.178 0.000 0.917 137 R CA 0.277 56.470 56.100 0.155 0.000 1.073 137 R CB 0.369 30.596 30.300 -0.122 0.000 1.056 137 R HN 0.528 nan 8.270 nan 0.000 0.506 138 E N 1.517 121.910 120.200 0.322 0.000 2.191 138 E HA 0.140 4.490 4.350 -0.000 0.000 0.263 138 E C -1.111 175.422 176.600 -0.112 0.000 0.881 138 E CA -0.816 55.655 56.400 0.118 0.000 0.757 138 E CB 2.104 31.753 29.700 -0.086 0.000 1.147 138 E HN -0.201 nan 8.360 nan 0.000 0.414 139 K N 3.384 123.465 120.400 -0.532 0.000 2.416 139 K HA 0.075 4.395 4.320 -0.000 0.000 0.283 139 K C -1.408 174.834 176.600 -0.597 0.000 1.037 139 K CA 0.237 55.751 56.287 -1.289 0.000 0.995 139 K CB 0.097 32.126 32.500 -0.785 0.000 0.938 139 K HN 0.431 nan 8.250 nan 0.000 0.475 140 Y N 0.386 120.331 120.300 -0.592 0.000 2.588 140 Y HA 0.472 5.022 4.550 -0.000 0.000 0.343 140 Y C -0.551 175.262 175.900 -0.144 0.000 1.065 140 Y CA -1.127 56.804 58.100 -0.282 0.000 1.038 140 Y CB 1.574 39.917 38.460 -0.196 0.000 1.297 140 Y HN 0.500 nan 8.280 nan 0.000 0.467 141 D N 1.642 122.050 120.400 0.013 0.000 2.433 141 D HA 0.302 4.942 4.640 -0.000 0.000 0.211 141 D C -0.609 175.745 176.300 0.091 0.000 1.114 141 D CA 0.592 54.580 54.000 -0.020 0.000 0.837 141 D CB 1.157 41.941 40.800 -0.026 0.000 0.984 141 D HN 0.505 nan 8.370 nan 0.000 0.505 142 L N 0.894 122.255 121.223 0.231 0.000 2.549 142 L HA 0.295 4.635 4.340 -0.000 0.000 0.259 142 L C -2.680 174.316 176.870 0.210 0.000 0.934 142 L CA -1.818 53.143 54.840 0.202 0.000 0.865 142 L CB 3.012 45.129 42.059 0.097 0.000 1.352 142 L HN -0.352 nan 8.230 nan 0.000 0.410 143 P HA 0.130 nan 4.420 nan 0.000 0.263 143 P C -2.434 174.836 177.300 -0.050 0.000 1.195 143 P CA -0.598 62.461 63.100 -0.069 0.000 0.762 143 P CB -0.185 31.502 31.700 -0.022 0.000 0.799 144 P HA 0.023 nan 4.420 nan 0.000 0.271 144 P C 0.851 178.137 177.300 -0.022 0.000 1.218 144 P CA -0.172 62.963 63.100 0.058 0.000 0.780 144 P CB 0.524 32.296 31.700 0.120 0.000 0.901 145 V N 0.820 120.641 119.914 -0.155 0.000 2.720 145 V HA -0.164 3.956 4.120 -0.000 0.000 0.256 145 V C 1.304 177.186 176.094 -0.354 0.000 1.082 145 V CA 1.575 63.667 62.300 -0.346 0.000 1.101 145 V CB -1.409 30.075 31.823 -0.565 0.000 0.693 145 V HN 0.614 nan 8.190 nan 0.000 0.479 146 H N -0.363 118.688 119.070 -0.033 0.000 3.209 146 H HA 0.618 5.174 4.556 -0.000 0.000 0.225 146 H C 0.925 176.226 175.328 -0.044 0.000 1.599 146 H CA -0.078 55.955 56.048 -0.026 0.000 1.691 146 H CB 0.191 29.947 29.762 -0.009 0.000 1.473 146 H HN 0.263 nan 8.280 nan 0.000 0.981 147 G N 0.299 109.176 108.800 0.129 0.000 2.796 147 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.226 147 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.226 147 G C -0.400 174.498 174.900 -0.005 0.000 1.381 147 G CA -0.037 45.084 45.100 0.035 0.000 0.867 147 G HN 0.660 nan 8.290 nan 0.000 0.552 148 K N -0.012 120.372 120.400 -0.026 0.000 2.090 148 K HA 0.490 4.810 4.320 -0.000 0.000 0.250 148 K C 0.294 176.873 176.600 -0.036 0.000 1.004 148 K CA -0.463 55.808 56.287 -0.028 0.000 0.919 148 K CB 0.436 32.922 32.500 -0.024 0.000 1.045 148 K HN 0.464 nan 8.250 nan 0.000 0.471 149 K N 2.264 122.649 120.400 -0.026 0.000 2.185 149 K HA 0.385 4.705 4.320 -0.000 0.000 0.269 149 K C -0.901 175.691 176.600 -0.013 0.000 0.987 149 K CA -0.670 55.603 56.287 -0.023 0.000 0.865 149 K CB 1.131 33.620 32.500 -0.018 0.000 1.090 149 K HN 0.299 nan 8.250 nan 0.000 0.450 150 I N 3.602 124.167 120.570 -0.008 0.000 2.828 150 I HA 0.303 4.473 4.170 -0.000 0.000 0.302 150 I C -2.476 173.647 176.117 0.010 0.000 1.101 150 I CA -2.631 58.672 61.300 0.005 0.000 1.031 150 I CB 1.911 39.920 38.000 0.015 0.000 1.231 150 I HN 0.388 nan 8.210 nan 0.000 0.427 151 P HA 0.236 nan 4.420 nan 0.000 0.271 151 P C -1.192 176.122 177.300 0.023 0.000 1.220 151 P CA -0.236 62.874 63.100 0.017 0.000 0.768 151 P CB 0.279 31.992 31.700 0.021 0.000 0.848 152 c N 0.497 119.107 118.600 0.017 0.000 3.321 152 c HA 0.870 5.440 4.570 -0.000 0.000 0.329 152 c C -0.208 173.881 174.090 -0.002 0.000 1.394 152 c CA -0.609 55.730 56.329 0.017 0.000 1.291 152 c CB 1.381 43.906 42.510 0.026 0.000 1.606 152 c HN 0.622 nan 8.230 nan 0.000 0.463 153 T N -0.774 113.770 114.554 -0.017 0.000 2.940 153 T HA 0.835 5.185 4.350 -0.000 0.000 0.288 153 T C -0.644 173.996 174.700 -0.099 0.000 1.033 153 T CA -0.446 61.621 62.100 -0.055 0.000 1.033 153 T CB 1.533 70.364 68.868 -0.062 0.000 1.079 153 T HN 2.418 nan 8.240 nan 0.000 0.496 154 V N 1.005 120.830 119.914 -0.149 0.000 3.264 154 V HA 0.473 4.593 4.120 -0.000 0.000 0.294 154 V C -1.946 174.016 176.094 -0.220 0.000 1.429 154 V CA -1.290 60.897 62.300 -0.187 0.000 1.053 154 V CB 1.812 33.605 31.823 -0.050 0.000 1.128 154 V HN 0.999 nan 8.190 nan 0.000 0.452 155 Y N 2.228 122.533 120.300 0.009 0.000 2.346 155 Y HA 0.357 4.907 4.550 0.000 0.000 0.330 155 Y C 0.908 176.811 175.900 0.004 0.000 1.178 155 Y CA 0.170 58.274 58.100 0.007 0.000 1.331 155 Y CB 0.489 38.937 38.460 -0.019 0.000 1.253 155 Y HN 0.665 nan 8.280 nan 0.000 0.529 156 D N 1.972 122.501 120.400 0.215 0.000 2.369 156 D HA 0.274 4.914 4.640 -0.000 0.000 0.241 156 D C -0.033 176.368 176.300 0.168 0.000 1.271 156 D CA 0.285 54.380 54.000 0.158 0.000 0.942 156 D CB 0.582 41.473 40.800 0.152 0.000 1.129 156 D HN 0.543 nan 8.370 nan 0.000 0.476 257 L N 1.183 122.351 121.223 -0.093 0.000 3.515 257 L HA 0.209 4.549 4.340 -0.000 0.000 0.322 257 L C -1.918 174.621 176.870 -0.552 0.000 1.225 257 L CA -0.446 54.274 54.840 -0.199 0.000 1.104 257 L CB -0.477 41.551 42.059 -0.051 0.000 1.506 257 L HN 0.290 nan 8.230 nan 0.000 0.624 258 P HA 0.254 nan 4.420 nan 0.000 0.333 258 P C -0.525 176.344 177.300 -0.719 0.000 1.315 258 P CA -0.314 62.136 63.100 -1.083 0.000 0.746 258 P CB 0.414 31.558 31.700 -0.927 0.000 1.575 259 F N -0.266 119.468 119.950 -0.360 0.000 2.368 259 F HA 0.290 4.817 4.527 0.000 0.000 0.362 259 F C 1.266 177.044 175.800 -0.038 0.000 1.137 259 F CA -0.411 57.504 58.000 -0.143 0.000 1.161 259 F CB 0.021 38.971 39.000 -0.083 0.000 1.265 259 F HN -0.135 nan 8.300 nan 0.000 0.530 260 K N 2.699 123.145 120.400 0.075 0.000 2.286 260 K HA 0.214 4.534 4.320 -0.000 0.000 0.256 260 K C -0.313 176.348 176.600 0.102 0.000 0.999 260 K CA -0.381 55.932 56.287 0.043 0.000 0.908 260 K CB 0.765 33.244 32.500 -0.035 0.000 0.981 260 K HN 0.570 nan 8.250 nan 0.000 0.500 261 L N 3.438 124.675 121.223 0.023 0.000 2.287 261 L HA 0.277 4.617 4.340 -0.000 0.000 0.280 261 L C -0.670 176.161 176.870 -0.064 0.000 1.055 261 L CA -0.723 54.069 54.840 -0.079 0.000 0.863 261 L CB 0.473 42.455 42.059 -0.128 0.000 1.245 261 L HN 0.487 nan 8.230 nan 0.000 0.432 262 I N 7.044 127.581 120.570 -0.054 0.000 2.428 262 I HA 0.521 4.691 4.170 -0.000 0.000 0.296 262 I C -2.175 173.916 176.117 -0.043 0.000 0.985 262 I CA -2.231 59.048 61.300 -0.036 0.000 1.260 262 I CB 1.559 39.549 38.000 -0.016 0.000 1.389 262 I HN 0.316 nan 8.210 nan 0.000 0.484 263 P HA 0.271 nan 4.420 nan 0.000 0.279 263 P C -1.268 176.023 177.300 -0.015 0.000 1.239 263 P CA -0.086 63.001 63.100 -0.021 0.000 0.789 263 P CB 1.178 32.871 31.700 -0.012 0.000 0.933 264 S N 1.114 116.807 115.700 -0.011 0.000 3.813 264 S HA 0.501 4.971 4.470 -0.000 0.000 0.309 264 S C -0.726 173.873 174.600 -0.002 0.000 1.136 264 S CA -0.445 57.751 58.200 -0.007 0.000 1.190 264 S CB 0.864 64.059 63.200 -0.008 0.000 1.582 264 S HN 0.489 nan 8.310 nan 0.000 0.647 265 T N 0.184 114.736 114.554 -0.003 0.000 2.824 265 T HA 0.700 5.050 4.350 -0.000 0.000 0.282 265 T C -0.674 174.025 174.700 -0.002 0.000 0.993 265 T CA -0.358 61.741 62.100 -0.002 0.000 0.967 265 T CB 0.188 69.052 68.868 -0.006 0.000 0.960 265 T HN 0.804 nan 8.240 nan 0.000 0.441 269 P HA 0.424 nan 4.420 nan 0.000 0.276 269 P C -1.356 175.912 177.300 -0.054 0.000 1.244 269 P CA -0.156 62.861 63.100 -0.140 0.000 0.801 269 P CB 1.271 32.849 31.700 -0.204 0.000 1.006 270 V N 1.050 120.978 119.914 0.024 0.000 2.513 270 V HA 0.674 4.794 4.120 -0.000 0.000 0.299 270 V C -0.115 176.096 176.094 0.196 0.000 1.035 270 V CA -0.824 61.546 62.300 0.118 0.000 0.889 270 V CB 1.123 33.011 31.823 0.107 0.000 0.988 270 V HN 0.749 nan 8.190 nan 0.000 0.440 271 A N 4.049 126.965 122.820 0.159 0.000 2.313 271 A HA 0.385 4.705 4.320 -0.000 0.000 0.261 271 A C -0.068 177.739 177.584 0.372 0.000 1.090 271 A CA -0.197 51.851 52.037 0.017 0.000 0.807 271 A CB -0.111 18.317 19.000 -0.953 0.000 1.055 271 A HN 1.240 nan 8.150 nan 0.000 0.492 272 H N 1.365 120.654 119.070 0.364 0.000 3.232 272 H HA 0.423 4.979 4.556 0.000 0.000 0.254 272 H C 0.698 176.258 175.328 0.387 0.000 1.213 272 H CA 0.203 56.455 56.048 0.339 0.000 1.503 272 H CB -0.400 29.473 29.762 0.185 0.000 1.563 272 H HN 0.860 nan 8.280 nan 0.000 0.490 273 A N 6.169 129.035 122.820 0.077 0.000 2.589 273 A HA -0.050 4.270 4.320 -0.000 0.000 0.265 273 A C -2.079 175.260 177.584 -0.409 0.000 0.973 273 A CA -0.529 51.505 52.037 -0.005 0.000 0.902 273 A CB -0.575 18.443 19.000 0.031 0.000 0.846 273 A HN 0.717 nan 8.150 nan 0.000 0.489 274 P HA 0.055 nan 4.420 nan 0.000 0.267 274 P C -0.151 176.947 177.300 -0.336 0.000 1.205 274 P CA -0.184 62.551 63.100 -0.609 0.000 0.765 274 P CB 0.423 31.625 31.700 -0.830 0.000 0.828 275 N N 3.951 122.497 118.700 -0.257 0.000 2.400 275 N HA 0.062 4.802 4.740 -0.000 0.000 0.267 275 N C -0.813 174.574 175.510 -0.204 0.000 1.208 275 N CA 0.240 53.188 53.050 -0.171 0.000 0.951 275 N CB -0.136 38.289 38.487 -0.103 0.000 1.227 275 N HN -0.023 nan 8.380 nan 0.000 0.488 276 V N 4.506 124.303 119.914 -0.194 0.000 2.743 276 V HA 0.456 4.576 4.120 -0.000 0.000 0.301 276 V C 0.648 176.564 176.094 -0.297 0.000 1.057 276 V CA -0.632 61.503 62.300 -0.276 0.000 1.006 276 V CB 1.201 32.858 31.823 -0.278 0.000 1.024 276 V HN 0.517 nan 8.190 nan 0.000 0.473 277 I N 3.264 123.611 120.570 -0.371 0.000 2.497 277 I HA 0.348 4.518 4.170 -0.000 0.000 0.284 277 I C -0.418 175.523 176.117 -0.294 0.000 1.060 277 I CA -0.404 60.733 61.300 -0.273 0.000 1.071 277 I CB 1.163 39.059 38.000 -0.173 0.000 1.216 277 I HN 0.657 nan 8.210 nan 0.000 0.442 278 H N 4.451 123.515 119.070 -0.010 0.000 2.562 278 H HA 0.661 5.217 4.556 -0.000 0.000 0.352 278 H C 0.275 175.634 175.328 0.052 0.000 1.125 278 H CA -0.298 55.764 56.048 0.024 0.000 1.379 278 H CB 1.907 31.692 29.762 0.037 0.000 1.464 278 H HN 0.764 nan 8.280 nan 0.000 0.563 279 G N 0.789 109.720 108.800 0.218 0.000 2.846 279 G HA2 0.250 4.210 3.960 -0.000 0.000 0.299 279 G HA3 0.250 4.210 3.960 -0.000 0.000 0.299 279 G C -1.499 173.570 174.900 0.283 0.000 1.242 279 G CA -0.800 44.451 45.100 0.251 0.000 0.800 279 G HN 0.438 nan 8.290 nan 0.000 0.538 280 F N 2.468 122.513 119.950 0.159 0.000 2.490 280 F HA 0.328 4.855 4.527 0.000 0.000 0.357 280 F C 1.240 177.079 175.800 0.064 0.000 1.166 280 F CA -0.129 57.926 58.000 0.092 0.000 1.116 280 F CB -0.260 38.766 39.000 0.042 0.000 1.171 280 F HN 0.490 nan 8.300 nan 0.000 0.576 281 K N 3.418 123.591 120.400 -0.377 0.000 3.156 281 K HA -0.285 4.035 4.320 -0.000 0.000 0.266 281 K C -1.016 175.581 176.600 -0.006 0.000 0.966 281 K CA 0.677 56.797 56.287 -0.279 0.000 0.719 281 K CB -1.856 30.344 32.500 -0.501 0.000 1.333 281 K HN 0.666 nan 8.250 nan 0.000 0.468 282 H N -0.154 118.912 119.070 -0.007 0.000 2.954 282 H HA 0.542 5.098 4.556 -0.000 0.000 0.361 282 H C -0.992 174.352 175.328 0.027 0.000 1.122 282 H CA -0.993 55.071 56.048 0.027 0.000 1.217 282 H CB 0.983 30.779 29.762 0.056 0.000 1.776 282 H HN 0.193 nan 8.280 nan 0.000 0.533 283 I N 3.167 123.758 120.570 0.035 0.000 2.540 283 I HA 0.183 4.353 4.170 -0.000 0.000 0.280 283 I C -0.079 175.872 176.117 -0.277 0.000 1.083 283 I CA -0.793 60.438 61.300 -0.114 0.000 1.080 283 I CB 1.509 39.510 38.000 0.001 0.000 1.205 283 I HN 0.477 nan 8.210 nan 0.000 0.459 284 S N 6.545 122.008 115.700 -0.395 0.000 2.545 284 S HA 0.660 5.130 4.470 -0.000 0.000 0.275 284 S C -0.500 173.883 174.600 -0.362 0.000 1.299 284 S CA -0.541 57.417 58.200 -0.402 0.000 1.048 284 S CB 1.434 64.412 63.200 -0.371 0.000 0.938 284 S HN 0.574 nan 8.310 nan 0.000 0.496 285 L N 3.013 124.002 121.223 -0.390 0.000 2.408 285 L HA 0.305 4.645 4.340 -0.000 0.000 0.257 285 L C 0.008 176.654 176.870 -0.373 0.000 1.053 285 L CA -0.351 54.243 54.840 -0.410 0.000 0.922 285 L CB 0.980 42.754 42.059 -0.475 0.000 1.261 285 L HN 0.744 nan 8.230 nan 0.000 0.458 286 Q N 4.043 123.657 119.800 -0.310 0.000 2.262 286 Q HA 0.344 4.684 4.340 -0.000 0.000 0.272 286 Q C -0.940 174.892 176.000 -0.279 0.000 1.076 286 Q CA 0.284 55.941 55.803 -0.244 0.000 0.905 286 Q CB 0.775 29.407 28.738 -0.177 0.000 1.182 286 Q HN 0.489 nan 8.270 nan 0.000 0.390 287 L N 2.304 123.381 121.223 -0.244 0.000 2.354 287 L HA 0.511 4.851 4.340 -0.000 0.000 0.269 287 L C -0.547 176.282 176.870 -0.068 0.000 1.005 287 L CA -0.620 54.068 54.840 -0.254 0.000 0.819 287 L CB 1.886 43.779 42.059 -0.276 0.000 1.311 287 L HN 0.453 nan 8.230 nan 0.000 0.423 288 D N 0.630 121.056 120.400 0.042 0.000 2.527 288 D HA 0.231 4.871 4.640 -0.000 0.000 0.242 288 D C -1.224 175.108 176.300 0.055 0.000 1.285 288 D CA -0.182 53.836 54.000 0.030 0.000 0.886 288 D CB 1.259 42.038 40.800 -0.036 0.000 1.402 288 D HN 0.484 nan 8.370 nan 0.000 0.528 289 T N -0.992 113.586 114.554 0.040 0.000 2.779 289 T HA 0.202 4.552 4.350 -0.000 0.000 0.280 289 T C 1.104 175.688 174.700 -0.194 0.000 0.987 289 T CA -0.788 61.247 62.100 -0.108 0.000 0.966 289 T CB 2.277 71.014 68.868 -0.219 0.000 0.933 289 T HN -0.062 nan 8.240 nan 0.000 0.442 290 D N 1.583 121.851 120.400 -0.221 0.000 2.239 290 D HA -0.181 4.459 4.640 -0.000 0.000 0.202 290 D C 0.936 177.196 176.300 -0.066 0.000 0.993 290 D CA 1.653 55.588 54.000 -0.108 0.000 0.874 290 D CB 0.087 40.886 40.800 -0.002 0.000 0.922 290 D HN 0.900 nan 8.370 nan 0.000 0.464 291 H N -2.926 116.151 119.070 0.010 0.000 3.038 291 H HA 0.334 4.890 4.556 -0.000 0.000 0.289 291 H C -0.567 174.774 175.328 0.022 0.000 1.510 291 H CA -1.110 54.934 56.048 -0.008 0.000 1.227 291 H CB 0.087 29.827 29.762 -0.037 0.000 1.880 291 H HN -0.150 nan 8.280 nan 0.000 0.594 292 L N 2.634 124.021 121.223 0.274 0.000 2.295 292 L HA 0.186 4.526 4.340 -0.000 0.000 0.288 292 L C 0.197 177.353 176.870 0.477 0.000 1.079 292 L CA -0.140 54.885 54.840 0.308 0.000 0.830 292 L CB 0.763 42.940 42.059 0.198 0.000 1.200 292 L HN 0.737 nan 8.230 nan 0.000 0.438 293 T N 2.665 117.382 114.554 0.273 0.000 2.855 293 T HA 0.444 4.794 4.350 -0.000 0.000 0.281 293 T C -0.352 174.135 174.700 -0.354 0.000 1.007 293 T CA -0.776 61.278 62.100 -0.077 0.000 1.009 293 T CB 1.603 70.205 68.868 -0.443 0.000 0.983 293 T HN 0.367 nan 8.240 nan 0.000 0.455 294 L N 3.887 124.552 121.223 -0.929 0.000 2.331 294 L HA 0.517 4.857 4.340 -0.000 0.000 0.278 294 L C -0.531 176.037 176.870 -0.504 0.000 1.106 294 L CA -0.896 53.252 54.840 -1.154 0.000 0.824 294 L CB 0.970 42.147 42.059 -1.471 0.000 1.142 294 L HN 0.651 nan 8.230 nan 0.000 0.443 295 L N 4.843 125.923 121.223 -0.238 0.000 2.345 295 L HA 0.440 4.780 4.340 -0.000 0.000 0.274 295 L C -0.683 176.184 176.870 -0.004 0.000 0.999 295 L CA -0.271 54.606 54.840 0.062 0.000 0.849 295 L CB 1.641 43.873 42.059 0.289 0.000 1.220 295 L HN 0.613 nan 8.230 nan 0.000 0.422 296 T N 1.237 115.784 114.554 -0.011 0.000 2.929 296 T HA 0.721 5.071 4.350 -0.000 0.000 0.284 296 T C 0.073 174.734 174.700 -0.066 0.000 1.014 296 T CA -0.527 61.545 62.100 -0.047 0.000 1.051 296 T CB 1.849 70.683 68.868 -0.055 0.000 1.028 296 T HN 0.698 nan 8.240 nan 0.000 0.485 297 T N -0.851 113.616 114.554 -0.145 0.000 2.816 297 T HA 0.854 5.204 4.350 -0.000 0.000 0.299 297 T C -1.338 173.256 174.700 -0.176 0.000 1.230 297 T CA -1.317 60.646 62.100 -0.228 0.000 1.007 297 T CB 2.073 70.597 68.868 -0.574 0.000 1.289 297 T HN 1.063 nan 8.240 nan 0.000 0.508 298 R N -0.365 120.029 120.500 -0.176 0.000 2.728 298 R HA 0.531 4.871 4.340 -0.000 0.000 0.259 298 R C -1.315 174.901 176.300 -0.141 0.000 1.057 298 R CA -1.187 54.829 56.100 -0.140 0.000 0.908 298 R CB 1.040 31.275 30.300 -0.108 0.000 1.259 298 R HN 0.630 nan 8.270 nan 0.000 0.472 299 R N 1.677 122.098 120.500 -0.132 0.000 2.615 299 R HA 0.284 4.624 4.340 -0.000 0.000 0.270 299 R C 0.471 176.695 176.300 -0.126 0.000 1.081 299 R CA -0.504 55.522 56.100 -0.124 0.000 1.154 299 R CB 0.660 30.892 30.300 -0.113 0.000 1.063 299 R HN 0.614 nan 8.270 nan 0.000 0.519 300 L N 0.926 122.087 121.223 -0.103 0.000 2.607 300 L HA 0.168 4.508 4.340 -0.000 0.000 0.228 300 L C 1.386 178.229 176.870 -0.046 0.000 1.123 300 L CA -0.100 54.705 54.840 -0.059 0.000 0.890 300 L CB -0.142 41.903 42.059 -0.023 0.000 1.103 300 L HN 0.719 nan 8.230 nan 0.000 0.468 301 G N -0.401 108.336 108.800 -0.106 0.000 2.508 301 G HA2 0.349 4.309 3.960 -0.000 0.000 0.278 301 G HA3 0.349 4.309 3.960 -0.000 0.000 0.278 301 G C 1.069 175.681 174.900 -0.480 0.000 1.389 301 G CA 0.281 45.299 45.100 -0.136 0.000 1.050 301 G HN 0.114 nan 8.290 nan 0.000 0.522 302 A N -0.503 121.991 122.820 -0.543 0.000 1.873 302 A HA 0.021 4.341 4.320 -0.000 0.000 0.215 302 A C 1.431 178.594 177.584 -0.703 0.000 1.186 302 A CA 1.273 52.662 52.037 -1.080 0.000 0.616 302 A CB -0.395 18.384 19.000 -0.368 0.000 0.823 302 A HN 0.465 nan 8.150 nan 0.000 0.442 303 N N -0.175 118.313 118.700 -0.354 0.000 2.485 303 N HA 0.360 5.100 4.740 -0.000 0.000 0.243 303 N C -2.288 173.108 175.510 -0.190 0.000 0.987 303 N CA -2.156 50.760 53.050 -0.224 0.000 0.940 303 N CB 1.583 39.994 38.487 -0.127 0.000 1.122 303 N HN 0.038 nan 8.380 nan 0.000 0.509 304 P HA 0.068 nan 4.420 nan 0.000 0.239 304 P C -0.853 176.385 177.300 -0.103 0.000 1.188 304 P CA 0.320 63.329 63.100 -0.151 0.000 0.794 304 P CB 0.138 31.745 31.700 -0.154 0.000 0.937 305 E N -0.285 119.867 120.200 -0.080 0.000 2.149 305 E HA -0.176 4.174 4.350 -0.000 0.000 0.191 305 E C -1.847 174.721 176.600 -0.053 0.000 1.384 305 E CA -0.356 56.014 56.400 -0.050 0.000 0.698 305 E CB -1.896 27.783 29.700 -0.036 0.000 1.086 305 E HN 0.405 nan 8.360 nan 0.000 0.338 306 P HA -0.030 nan 4.420 nan 0.000 0.267 306 P C -0.451 176.824 177.300 -0.042 0.000 1.201 306 P CA 0.389 63.453 63.100 -0.060 0.000 0.775 306 P CB 0.748 32.423 31.700 -0.042 0.000 0.854 307 T N 0.182 114.701 114.554 -0.058 0.000 3.313 307 T HA 0.276 4.626 4.350 -0.000 0.000 0.333 307 T C -0.533 174.156 174.700 -0.019 0.000 0.904 307 T CA -0.558 61.528 62.100 -0.024 0.000 1.079 307 T CB 0.558 69.417 68.868 -0.016 0.000 1.017 307 T HN 0.366 nan 8.240 nan 0.000 0.471 308 T N 2.089 116.647 114.554 0.008 0.000 2.928 308 T HA 0.705 5.055 4.350 -0.000 0.000 0.284 308 T C -0.794 173.939 174.700 0.054 0.000 1.008 308 T CA -0.372 61.732 62.100 0.007 0.000 1.057 308 T CB 1.270 70.145 68.868 0.011 0.000 1.018 308 T HN 0.738 nan 8.240 nan 0.000 0.493 309 E N 2.655 122.877 120.200 0.037 0.000 2.388 309 E HA 0.284 4.634 4.350 -0.000 0.000 0.282 309 E C -2.018 174.615 176.600 0.056 0.000 1.026 309 E CA -0.832 55.637 56.400 0.115 0.000 0.820 309 E CB 0.983 30.759 29.700 0.127 0.000 1.226 309 E HN 0.669 nan 8.360 nan 0.000 0.432 310 W N 5.019 126.360 121.300 0.068 0.000 2.391 310 W HA 0.500 5.160 4.660 -0.000 0.000 0.311 310 W C 0.064 176.625 176.519 0.071 0.000 1.087 310 W CA -0.429 56.957 57.345 0.068 0.000 1.209 310 W CB 0.933 30.428 29.460 0.057 0.000 1.273 310 W HN 0.399 nan 8.180 nan 0.000 0.482 311 I N 1.334 122.063 120.570 0.265 0.000 2.750 311 I HA 0.896 5.066 4.170 -0.000 0.000 0.308 311 I C -0.725 175.499 176.117 0.178 0.000 1.016 311 I CA -1.348 60.073 61.300 0.202 0.000 1.098 311 I CB 1.667 39.782 38.000 0.192 0.000 1.279 311 I HN 0.080 nan 8.210 nan 0.000 0.454 312 V N 2.322 122.306 119.914 0.117 0.000 3.049 312 V HA 0.863 4.983 4.120 -0.000 0.000 0.309 312 V C 0.690 176.806 176.094 0.036 0.000 1.148 312 V CA 0.078 62.419 62.300 0.069 0.000 0.990 312 V CB 0.588 32.445 31.823 0.056 0.000 1.039 312 V HN 1.376 nan 8.190 nan 0.000 0.430 313 G N 2.591 111.394 108.800 0.006 0.000 2.556 313 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.283 313 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.283 313 G C -0.196 174.700 174.900 -0.006 0.000 1.177 313 G CA 0.788 45.882 45.100 -0.009 0.000 0.978 313 G HN 1.351 nan 8.290 nan 0.000 0.554 314 K N 0.929 121.320 120.400 -0.016 0.000 2.450 314 K HA 0.693 5.013 4.320 -0.000 0.000 0.257 314 K C 0.085 176.663 176.600 -0.036 0.000 0.953 314 K CA 0.673 56.942 56.287 -0.030 0.000 0.844 314 K CB 1.472 33.949 32.500 -0.040 0.000 1.103 314 K HN 1.392 nan 8.250 nan 0.000 0.429 315 T N -0.541 113.982 114.554 -0.051 0.000 2.681 315 T HA 0.663 5.013 4.350 -0.000 0.000 0.296 315 T C -1.102 173.528 174.700 -0.115 0.000 1.157 315 T CA -0.765 61.293 62.100 -0.070 0.000 1.025 315 T CB 1.028 69.863 68.868 -0.054 0.000 1.441 315 T HN 0.166 nan 8.240 nan 0.000 0.504 316 V N 0.268 120.100 119.914 -0.136 0.000 2.864 316 V HA 0.862 4.982 4.120 -0.000 0.000 0.314 316 V C -0.489 175.461 176.094 -0.241 0.000 1.073 316 V CA -1.003 61.180 62.300 -0.194 0.000 0.956 316 V CB 1.977 33.693 31.823 -0.178 0.000 1.023 316 V HN 0.985 nan 8.190 nan 0.000 0.435 317 R N 2.370 122.659 120.500 -0.351 0.000 2.797 317 R HA 0.408 4.748 4.340 -0.000 0.000 0.274 317 R C -0.813 174.998 176.300 -0.815 0.000 1.652 317 R CA -0.342 55.441 56.100 -0.530 0.000 1.175 317 R CB 0.496 30.510 30.300 -0.476 0.000 1.283 317 R HN 0.776 nan 8.270 nan 0.000 0.513 318 N N 2.115 120.415 118.700 -0.667 0.000 2.444 318 N HA 0.343 5.083 4.740 -0.000 0.000 0.255 318 N C -0.987 174.010 175.510 -0.854 0.000 1.255 318 N CA 0.495 53.188 53.050 -0.595 0.000 0.933 318 N CB 0.416 38.718 38.487 -0.308 0.000 1.143 318 N HN 0.203 nan 8.380 nan 0.000 0.453 319 F N -1.393 118.534 119.950 -0.039 0.000 2.608 319 F HA 0.263 4.790 4.527 0.000 0.000 0.309 319 F C 0.651 176.493 175.800 0.070 0.000 1.103 319 F CA -1.058 56.942 58.000 0.000 0.000 0.954 319 F CB 0.938 39.913 39.000 -0.040 0.000 1.267 319 F HN 0.324 nan 8.300 nan 0.000 0.444 320 T N -0.907 113.796 114.554 0.249 0.000 2.802 320 T HA 0.533 4.883 4.350 -0.000 0.000 0.305 320 T C -0.559 174.207 174.700 0.111 0.000 1.053 320 T CA -0.445 61.740 62.100 0.142 0.000 1.058 320 T CB 1.090 70.004 68.868 0.075 0.000 0.988 320 T HN 0.412 nan 8.240 nan 0.000 0.539 321 V N 3.244 123.184 119.914 0.044 0.000 2.385 321 V HA 0.220 4.340 4.120 -0.000 0.000 0.277 321 V C 0.370 176.447 176.094 -0.027 0.000 1.012 321 V CA -0.745 61.562 62.300 0.012 0.000 0.832 321 V CB 1.197 33.036 31.823 0.026 0.000 1.028 321 V HN 1.105 nan 8.190 nan 0.000 0.436 322 D N 4.498 124.885 120.400 -0.021 0.000 2.370 322 D HA -0.110 4.530 4.640 -0.000 0.000 0.256 322 D C 1.304 177.594 176.300 -0.017 0.000 1.197 322 D CA 0.369 54.355 54.000 -0.024 0.000 0.922 322 D CB -0.162 40.623 40.800 -0.025 0.000 0.911 322 D HN 0.717 nan 8.370 nan 0.000 0.517 323 R N -0.683 119.808 120.500 -0.016 0.000 3.621 323 R HA -0.238 4.102 4.340 -0.000 0.000 0.410 323 R C -0.303 176.035 176.300 0.063 0.000 0.541 323 R CA 1.869 57.974 56.100 0.009 0.000 1.518 323 R CB -1.917 28.384 30.300 0.001 0.000 2.022 323 R HN 0.214 nan 8.270 nan 0.000 0.356 324 D N 0.703 121.137 120.400 0.057 0.000 2.339 324 D HA 0.295 4.935 4.640 -0.000 0.000 0.217 324 D C 1.117 177.479 176.300 0.104 0.000 1.050 324 D CA 1.454 55.516 54.000 0.102 0.000 0.856 324 D CB 0.773 41.609 40.800 0.060 0.000 0.922 324 D HN 0.762 nan 8.370 nan 0.000 0.518 325 G N 0.682 109.498 108.800 0.027 0.000 2.642 325 G HA2 0.014 3.974 3.960 -0.000 0.000 0.231 325 G HA3 0.014 3.974 3.960 -0.000 0.000 0.231 325 G C -0.726 174.056 174.900 -0.197 0.000 1.338 325 G CA -0.227 44.771 45.100 -0.171 0.000 0.883 325 G HN 0.742 nan 8.290 nan 0.000 0.570 326 L N -3.971 117.072 121.223 -0.301 0.000 2.765 326 L HA 0.837 5.177 4.340 -0.000 0.000 0.254 326 L C -0.806 175.943 176.870 -0.202 0.000 0.939 326 L CA -0.519 54.201 54.840 -0.200 0.000 0.949 326 L CB 1.685 43.666 42.059 -0.129 0.000 1.521 326 L HN 1.066 nan 8.230 nan 0.000 0.434 327 E N 1.615 121.715 120.200 -0.167 0.000 2.266 327 E HA 0.558 4.908 4.350 -0.000 0.000 0.277 327 E C -1.798 174.752 176.600 -0.084 0.000 1.018 327 E CA -0.716 55.588 56.400 -0.160 0.000 0.840 327 E CB 1.160 30.782 29.700 -0.131 0.000 1.082 327 E HN 0.717 nan 8.360 nan 0.000 0.395 328 Y N 3.691 123.923 120.300 -0.114 0.000 2.354 328 Y HA 0.444 4.994 4.550 0.000 0.000 0.330 328 Y C -1.100 174.792 175.900 -0.013 0.000 1.011 328 Y CA -1.429 56.611 58.100 -0.101 0.000 1.099 328 Y CB 0.638 39.026 38.460 -0.119 0.000 1.179 328 Y HN 0.196 nan 8.280 nan 0.000 0.442 329 I N 2.433 123.084 120.570 0.135 0.000 2.440 329 I HA 0.246 4.416 4.170 -0.000 0.000 0.294 329 I C -1.024 175.277 176.117 0.307 0.000 0.995 329 I CA -0.523 60.861 61.300 0.140 0.000 1.306 329 I CB 1.393 39.414 38.000 0.036 0.000 1.407 329 I HN 0.981 nan 8.210 nan 0.000 0.501 330 W N 5.816 127.172 121.300 0.093 0.000 2.387 330 W HA 0.571 5.231 4.660 -0.000 0.000 0.285 330 W C 0.372 176.824 176.519 -0.111 0.000 1.011 330 W CA -0.674 56.664 57.345 -0.012 0.000 1.576 330 W CB 0.809 30.269 29.460 0.000 0.000 1.540 330 W HN 0.906 nan 8.180 nan 0.000 0.383 331 G N 5.413 113.917 108.800 -0.494 0.000 2.546 331 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.285 331 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.285 331 G C 0.419 175.181 174.900 -0.231 0.000 1.105 331 G CA 0.046 44.803 45.100 -0.572 0.000 1.189 331 G HN 1.728 nan 8.290 nan 0.000 0.534 332 N N -1.231 117.412 118.700 -0.095 0.000 2.693 332 N HA -0.266 4.474 4.740 -0.000 0.000 0.250 332 N C 0.230 175.808 175.510 0.114 0.000 1.033 332 N CA 2.239 55.296 53.050 0.010 0.000 0.747 332 N CB -1.494 37.004 38.487 0.018 0.000 0.964 332 N HN 0.921 nan 8.380 nan 0.000 0.540 333 H N -0.004 119.046 119.070 -0.032 0.000 2.408 333 H HA 0.432 4.988 4.556 -0.000 0.000 0.352 333 H C 0.588 175.924 175.328 0.013 0.000 1.607 333 H CA -0.088 55.979 56.048 0.031 0.000 1.445 333 H CB 0.496 30.340 29.762 0.137 0.000 1.664 333 H HN 0.223 nan 8.280 nan 0.000 0.605 334 E N 0.856 121.107 120.200 0.085 0.000 2.283 334 E HA 0.219 4.569 4.350 -0.000 0.000 0.271 334 E C -2.138 174.470 176.600 0.014 0.000 1.031 334 E CA -1.972 54.443 56.400 0.024 0.000 0.868 334 E CB 0.494 30.182 29.700 -0.020 0.000 1.094 334 E HN 0.378 nan 8.360 nan 0.000 0.401 335 P HA 0.056 nan 4.420 nan 0.000 0.231 335 P C 0.085 177.269 177.300 -0.192 0.000 1.811 335 P CA -0.183 62.862 63.100 -0.092 0.000 1.051 335 P CB 0.020 31.681 31.700 -0.065 0.000 1.951 336 V N 3.238 122.972 119.914 -0.299 0.000 2.928 336 V HA 0.063 4.183 4.120 -0.000 0.000 0.307 336 V C 0.352 176.159 176.094 -0.479 0.000 1.105 336 V CA 0.293 62.367 62.300 -0.375 0.000 1.223 336 V CB 0.089 31.654 31.823 -0.429 0.000 0.930 336 V HN 0.530 nan 8.190 nan 0.000 0.499 337 R N 4.470 124.799 120.500 -0.286 0.000 2.686 337 R HA 0.846 5.186 4.340 -0.000 0.000 0.283 337 R C -1.936 174.213 176.300 -0.251 0.000 0.978 337 R CA -0.944 54.982 56.100 -0.290 0.000 0.897 337 R CB 2.053 32.181 30.300 -0.287 0.000 1.192 337 R HN 0.472 nan 8.270 nan 0.000 0.457 338 V N 2.184 121.939 119.914 -0.264 0.000 2.769 338 V HA 0.521 4.641 4.120 -0.000 0.000 0.312 338 V C -0.967 174.946 176.094 -0.303 0.000 1.061 338 V CA -0.798 61.435 62.300 -0.112 0.000 0.931 338 V CB 1.419 33.331 31.823 0.149 0.000 1.010 338 V HN 0.691 nan 8.190 nan 0.000 0.433 339 Y N 0.738 121.059 120.300 0.036 0.000 2.730 339 Y HA 0.737 5.287 4.550 -0.000 0.000 0.325 339 Y C 0.643 176.543 175.900 0.001 0.000 1.132 339 Y CA -0.910 57.195 58.100 0.008 0.000 1.206 339 Y CB 1.574 40.023 38.460 -0.018 0.000 1.390 339 Y HN 0.591 nan 8.280 nan 0.000 0.555 340 A N 0.721 123.642 122.820 0.167 0.000 3.290 340 A HA 0.341 4.661 4.320 -0.000 0.000 0.297 340 A C -0.348 177.251 177.584 0.025 0.000 1.285 340 A CA -0.586 51.480 52.037 0.048 0.000 1.060 340 A CB -0.987 18.002 19.000 -0.018 0.000 1.114 340 A HN 0.796 nan 8.150 nan 0.000 0.601 360 G N -1.600 107.229 108.800 0.048 0.000 2.494 360 G HA2 0.494 4.454 3.960 -0.000 0.000 0.308 360 G HA3 0.494 4.454 3.960 -0.000 0.000 0.308 360 G C -2.056 172.886 174.900 0.070 0.000 1.263 360 G CA -0.330 44.814 45.100 0.073 0.000 0.840 360 G HN 0.908 nan 8.290 nan 0.000 0.479 361 Y N 1.828 122.069 120.300 -0.098 0.000 2.327 361 Y HA 0.573 5.123 4.550 -0.000 0.000 0.336 361 Y C 0.162 176.064 175.900 0.003 0.000 1.035 361 Y CA -1.002 57.014 58.100 -0.141 0.000 1.165 361 Y CB 1.403 39.643 38.460 -0.366 0.000 1.181 361 Y HN 0.367 nan 8.280 nan 0.000 0.494 362 E N 5.903 125.832 120.200 -0.452 0.000 2.115 362 E HA 0.111 4.461 4.350 -0.000 0.000 0.282 362 E C -1.690 174.583 176.600 -0.545 0.000 0.987 362 E CA -0.445 55.738 56.400 -0.362 0.000 0.797 362 E CB 0.306 29.877 29.700 -0.216 0.000 1.086 362 E HN 0.816 nan 8.360 nan 0.000 0.397 363 H N 2.353 121.179 119.070 -0.406 0.000 2.489 363 H HA 0.592 5.148 4.556 -0.000 0.000 0.343 363 H C -1.457 173.779 175.328 -0.153 0.000 1.086 363 H CA -0.474 55.394 56.048 -0.300 0.000 1.198 363 H CB 1.570 31.249 29.762 -0.139 0.000 1.490 363 H HN 0.448 nan 8.280 nan 0.000 0.504 364 A N 4.655 127.102 122.820 -0.622 0.000 2.277 364 A HA 0.557 4.877 4.320 -0.000 0.000 0.318 364 A C -0.198 177.097 177.584 -0.482 0.000 1.339 364 A CA -0.102 51.679 52.037 -0.426 0.000 0.875 364 A CB -0.046 18.805 19.000 -0.248 0.000 1.158 364 A HN 0.842 nan 8.150 nan 0.000 0.514 365 T N -1.052 113.302 114.554 -0.333 0.000 2.807 365 T HA 0.844 5.194 4.350 -0.000 0.000 0.277 365 T C -0.123 174.486 174.700 -0.150 0.000 1.006 365 T CA -0.173 61.825 62.100 -0.170 0.000 1.006 365 T CB 1.606 70.474 68.868 0.001 0.000 1.274 365 T HN 1.082 nan 8.240 nan 0.000 0.569 366 T N -0.996 113.460 114.554 -0.162 0.000 2.985 366 T HA 0.559 4.909 4.350 -0.000 0.000 0.315 366 T C -0.763 173.688 174.700 -0.415 0.000 1.001 366 T CA -0.680 61.288 62.100 -0.220 0.000 1.016 366 T CB 0.464 69.245 68.868 -0.145 0.000 0.993 366 T HN 0.568 nan 8.240 nan 0.000 0.454 367 V N 6.477 126.122 119.914 -0.450 0.000 2.432 367 V HA 0.423 4.543 4.120 -0.000 0.000 0.275 367 V C -1.895 173.980 176.094 -0.366 0.000 1.043 367 V CA -2.050 59.886 62.300 -0.605 0.000 0.925 367 V CB 1.101 32.664 31.823 -0.433 0.000 0.985 367 V HN 0.758 nan 8.190 nan 0.000 0.466 368 P HA -0.000 nan 4.420 nan 0.000 0.265 368 P C -0.457 176.741 177.300 -0.170 0.000 1.193 368 P CA -0.125 62.861 63.100 -0.190 0.000 0.765 368 P CB 0.428 32.063 31.700 -0.108 0.000 0.823 369 N N 3.642 122.227 118.700 -0.192 0.000 2.466 369 N HA 0.180 4.920 4.740 -0.000 0.000 0.263 369 N C -1.304 174.134 175.510 -0.120 0.000 1.178 369 N CA -0.034 52.901 53.050 -0.192 0.000 0.983 369 N CB -0.590 37.703 38.487 -0.323 0.000 1.331 369 N HN 0.040 nan 8.380 nan 0.000 0.500 370 V N 4.879 124.754 119.914 -0.065 0.000 2.610 370 V HA 0.327 4.447 4.120 -0.000 0.000 0.288 370 V C -2.252 173.842 176.094 0.000 0.000 1.055 370 V CA -1.529 60.761 62.300 -0.016 0.000 0.902 370 V CB 1.811 33.630 31.823 -0.006 0.000 1.030 370 V HN 0.469 nan 8.190 nan 0.000 0.448 371 P HA 0.034 nan 4.420 nan 0.000 0.264 371 P C 0.515 177.829 177.300 0.024 0.000 1.173 371 P CA 0.761 63.877 63.100 0.027 0.000 0.761 371 P CB 0.303 32.027 31.700 0.041 0.000 0.794 372 Q N -0.807 119.013 119.800 0.032 0.000 2.261 372 Q HA -0.192 4.148 4.340 -0.000 0.000 0.155 372 Q C 0.123 176.141 176.000 0.029 0.000 0.598 372 Q CA 1.268 57.089 55.803 0.031 0.000 1.376 372 Q CB -1.829 26.919 28.738 0.017 0.000 1.356 372 Q HN 0.420 nan 8.270 nan 0.000 0.947 373 I N 3.949 124.534 120.570 0.025 0.000 2.301 373 I HA 0.216 4.386 4.170 -0.000 0.000 0.292 373 I C -1.621 174.537 176.117 0.070 0.000 1.046 373 I CA -2.464 58.856 61.300 0.034 0.000 1.282 373 I CB 0.281 38.291 38.000 0.017 0.000 1.409 373 I HN -0.093 nan 8.210 nan 0.000 0.484 374 P HA 0.057 nan 4.420 nan 0.000 0.271 374 P C -1.162 176.236 177.300 0.163 0.000 1.216 374 P CA -0.114 63.053 63.100 0.111 0.000 0.776 374 P CB 0.686 32.440 31.700 0.090 0.000 0.881 375 Y N 3.101 123.416 120.300 0.025 0.000 2.356 375 Y HA 0.274 4.824 4.550 -0.000 0.000 0.334 375 Y C -0.069 175.850 175.900 0.032 0.000 0.958 375 Y CA -0.834 57.284 58.100 0.029 0.000 1.196 375 Y CB 1.039 39.507 38.460 0.014 0.000 1.137 375 Y HN 0.106 nan 8.280 nan 0.000 0.485 376 K N 4.938 125.165 120.400 -0.289 0.000 2.201 376 K HA 0.773 5.093 4.320 -0.000 0.000 0.278 376 K C -0.769 175.522 176.600 -0.515 0.000 1.027 376 K CA -0.310 55.827 56.287 -0.249 0.000 0.909 376 K CB 1.397 33.885 32.500 -0.021 0.000 1.062 376 K HN 0.724 nan 8.250 nan 0.000 0.465 377 A N 3.137 125.607 122.820 -0.583 0.000 2.569 377 A HA 0.728 5.048 4.320 -0.000 0.000 0.290 377 A C -1.350 175.835 177.584 -0.665 0.000 1.136 377 A CA -0.788 50.847 52.037 -0.669 0.000 0.710 377 A CB 1.315 20.217 19.000 -0.165 0.000 1.303 377 A HN 0.557 nan 8.150 nan 0.000 0.413 378 L N 1.492 122.432 121.223 -0.471 0.000 2.325 378 L HA 0.410 4.750 4.340 -0.000 0.000 0.281 378 L C -0.844 175.968 176.870 -0.098 0.000 1.004 378 L CA -0.971 53.727 54.840 -0.236 0.000 0.823 378 L CB 1.814 43.818 42.059 -0.092 0.000 1.236 378 L HN 0.512 nan 8.230 nan 0.000 0.415 379 V N 3.101 122.937 119.914 -0.130 0.000 2.415 379 V HA 0.122 4.242 4.120 -0.000 0.000 0.267 379 V C 0.269 176.385 176.094 0.036 0.000 1.042 379 V CA -0.512 61.722 62.300 -0.109 0.000 1.000 379 V CB 0.390 32.181 31.823 -0.053 0.000 1.015 379 V HN 0.613 nan 8.190 nan 0.000 0.478 380 E N 5.654 125.908 120.200 0.090 0.000 2.055 380 E HA 0.448 4.798 4.350 -0.000 0.000 0.274 380 E C -0.373 176.251 176.600 0.040 0.000 0.949 380 E CA -0.378 56.074 56.400 0.087 0.000 0.775 380 E CB 2.028 31.797 29.700 0.115 0.000 1.097 380 E HN 0.525 nan 8.360 nan 0.000 0.404 381 R N 1.198 121.678 120.500 -0.032 0.000 2.621 381 R HA 0.507 4.847 4.340 -0.000 0.000 0.292 381 R C -0.657 175.650 176.300 0.012 0.000 0.969 381 R CA -0.723 55.292 56.100 -0.142 0.000 0.887 381 R CB 1.905 31.900 30.300 -0.509 0.000 1.180 381 R HN 0.556 nan 8.270 nan 0.000 0.450 382 A N 1.591 124.419 122.820 0.012 0.000 2.567 382 A HA 0.319 4.639 4.320 -0.000 0.000 0.240 382 A C 1.296 178.912 177.584 0.053 0.000 1.053 382 A CA 1.227 53.284 52.037 0.033 0.000 0.755 382 A CB -0.381 18.630 19.000 0.018 0.000 0.978 382 A HN 1.079 nan 8.150 nan 0.000 0.507 383 G N 1.236 110.032 108.800 -0.007 0.000 2.412 383 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.252 383 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.252 383 G C 0.287 175.098 174.900 -0.149 0.000 1.038 383 G CA 1.031 46.072 45.100 -0.100 0.000 0.628 383 G HN 0.861 nan 8.290 nan 0.000 0.531 384 Y N 1.295 121.561 120.300 -0.057 0.000 2.300 384 Y HA 0.574 5.124 4.550 -0.000 0.000 0.328 384 Y C 0.928 176.827 175.900 -0.001 0.000 1.270 384 Y CA -0.051 58.031 58.100 -0.029 0.000 1.352 384 Y CB 1.145 39.571 38.460 -0.057 0.000 1.286 384 Y HN 0.444 nan 8.280 nan 0.000 0.536 385 A N 4.387 127.324 122.820 0.195 0.000 2.309 385 A HA 0.422 4.742 4.320 -0.000 0.000 0.290 385 A C -2.361 175.293 177.584 0.117 0.000 1.206 385 A CA -1.775 50.329 52.037 0.112 0.000 0.850 385 A CB -0.581 18.462 19.000 0.072 0.000 1.118 385 A HN 0.496 nan 8.150 nan 0.000 0.523 386 P HA -0.092 nan 4.420 nan 0.000 0.266 386 P C -0.616 176.699 177.300 0.024 0.000 1.162 386 P CA 0.545 63.679 63.100 0.057 0.000 0.758 386 P CB 0.441 32.168 31.700 0.045 0.000 0.774 387 L N 2.700 123.922 121.223 -0.002 0.000 2.322 387 L HA 0.298 4.638 4.340 -0.000 0.000 0.281 387 L C 0.633 177.448 176.870 -0.092 0.000 1.014 387 L CA -1.046 53.757 54.840 -0.061 0.000 0.815 387 L CB 1.355 43.357 42.059 -0.095 0.000 1.247 387 L HN 0.285 nan 8.230 nan 0.000 0.421 388 N N 4.108 122.753 118.700 -0.092 0.000 2.386 388 N HA 0.061 4.801 4.740 -0.000 0.000 0.273 388 N C -1.162 174.310 175.510 -0.063 0.000 1.331 388 N CA 0.314 53.313 53.050 -0.085 0.000 0.891 388 N CB 0.155 38.597 38.487 -0.076 0.000 1.139 388 N HN 0.368 nan 8.380 nan 0.000 0.487 389 L N 3.475 124.645 121.223 -0.089 0.000 2.446 389 L HA 0.403 4.743 4.340 -0.000 0.000 0.268 389 L C -1.057 175.787 176.870 -0.043 0.000 0.975 389 L CA -0.473 54.336 54.840 -0.051 0.000 0.848 389 L CB 1.245 43.260 42.059 -0.073 0.000 1.225 389 L HN 0.678 nan 8.230 nan 0.000 0.410 390 E N 5.230 125.438 120.200 0.012 0.000 2.246 390 E HA 0.659 5.009 4.350 -0.000 0.000 0.266 390 E C -1.481 175.164 176.600 0.075 0.000 0.880 390 E CA -0.698 55.725 56.400 0.039 0.000 0.762 390 E CB 1.943 31.660 29.700 0.029 0.000 1.180 390 E HN 0.522 nan 8.360 nan 0.000 0.416 391 I N 2.985 123.626 120.570 0.118 0.000 2.406 391 I HA 0.311 4.481 4.170 -0.000 0.000 0.290 391 I C -0.443 175.728 176.117 0.091 0.000 0.999 391 I CA -0.851 60.502 61.300 0.089 0.000 1.124 391 I CB 2.171 40.219 38.000 0.081 0.000 1.289 391 I HN 0.645 nan 8.210 nan 0.000 0.441 392 T N 3.601 118.195 114.554 0.067 0.000 2.809 392 T HA 0.480 4.830 4.350 -0.000 0.000 0.296 392 T C -0.226 174.504 174.700 0.050 0.000 1.015 392 T CA -0.661 61.481 62.100 0.071 0.000 0.954 392 T CB 1.393 70.316 68.868 0.091 0.000 0.950 392 T HN 0.342 nan 8.240 nan 0.000 0.450 396 S N 2.979 118.696 115.700 0.027 0.000 2.536 396 S HA 0.855 5.325 4.470 -0.000 0.000 0.298 396 S C -1.060 173.558 174.600 0.029 0.000 1.083 396 S CA -0.770 57.436 58.200 0.009 0.000 0.995 396 S CB 1.863 65.066 63.200 0.005 0.000 1.058 396 S HN 0.759 nan 8.310 nan 0.000 0.488 397 E N 0.689 120.895 120.200 0.011 0.000 2.293 397 E HA 0.522 4.872 4.350 -0.000 0.000 0.270 397 E C -1.552 175.078 176.600 0.050 0.000 0.879 397 E CA -0.987 55.433 56.400 0.033 0.000 0.756 397 E CB 2.456 32.156 29.700 0.001 0.000 1.208 397 E HN 0.487 nan 8.360 nan 0.000 0.428 398 V N 3.649 123.626 119.914 0.104 0.000 2.305 398 V HA 0.251 4.371 4.120 -0.000 0.000 0.275 398 V C -0.942 175.217 176.094 0.107 0.000 1.020 398 V CA -0.653 61.723 62.300 0.127 0.000 0.811 398 V CB 0.407 32.352 31.823 0.204 0.000 1.031 398 V HN 0.430 nan 8.190 nan 0.000 0.439 399 L N 8.218 129.475 121.223 0.056 0.000 2.283 399 L HA 0.567 4.907 4.340 -0.000 0.000 0.281 399 L C -2.207 174.664 176.870 0.002 0.000 1.033 399 L CA -1.333 53.520 54.840 0.022 0.000 0.848 399 L CB 1.111 43.188 42.059 0.031 0.000 1.226 399 L HN 0.373 nan 8.230 nan 0.000 0.429 400 P HA 0.330 nan 4.420 nan 0.000 0.285 400 P C -0.824 176.429 177.300 -0.079 0.000 1.269 400 P CA -0.784 62.267 63.100 -0.082 0.000 0.844 400 P CB 1.621 33.220 31.700 -0.170 0.000 1.094 401 S N 0.023 115.700 115.700 -0.038 0.000 2.505 401 S HA 0.359 4.829 4.470 -0.000 0.000 0.276 401 S C 0.396 174.982 174.600 -0.023 0.000 1.274 401 S CA -0.348 57.845 58.200 -0.012 0.000 1.053 401 S CB -0.559 62.659 63.200 0.030 0.000 0.919 401 S HN 0.623 nan 8.310 nan 0.000 0.490 402 T N 0.768 115.301 114.554 -0.035 0.000 2.772 402 T HA 0.440 4.790 4.350 -0.000 0.000 0.288 402 T C -0.852 173.832 174.700 -0.027 0.000 0.994 402 T CA -0.943 61.129 62.100 -0.047 0.000 0.951 402 T CB 0.072 68.893 68.868 -0.078 0.000 0.933 402 T HN 0.504 nan 8.240 nan 0.000 0.447 403 N N 4.080 122.770 118.700 -0.016 0.000 2.558 403 N HA 0.184 4.924 4.740 -0.000 0.000 0.233 403 N C -0.162 175.328 175.510 -0.033 0.000 1.038 403 N CA -0.373 52.669 53.050 -0.014 0.000 0.934 403 N CB 1.041 39.533 38.487 0.009 0.000 1.175 403 N HN 0.656 nan 8.380 nan 0.000 0.512 404 Q N 1.027 120.793 119.800 -0.057 0.000 2.286 404 Q HA -0.071 4.269 4.340 -0.000 0.000 0.290 404 Q C 0.289 176.231 176.000 -0.097 0.000 1.049 404 Q CA 0.709 56.453 55.803 -0.099 0.000 0.923 404 Q CB 0.832 29.514 28.738 -0.094 0.000 1.183 404 Q HN 0.556 nan 8.270 nan 0.000 0.383 405 E N 3.171 123.269 120.200 -0.169 0.000 2.083 405 E HA 0.039 4.389 4.350 -0.000 0.000 0.193 405 E C -0.674 175.922 176.600 -0.008 0.000 0.950 405 E CA 0.884 57.236 56.400 -0.080 0.000 0.849 405 E CB 0.318 29.974 29.700 -0.075 0.000 0.827 405 E HN 0.607 nan 8.360 nan 0.000 0.465 406 Y N -2.229 118.022 120.300 -0.082 0.000 2.689 406 Y HA 0.567 5.117 4.550 -0.000 0.000 0.333 406 Y C -0.611 175.217 175.900 -0.120 0.000 1.190 406 Y CA -1.612 56.454 58.100 -0.057 0.000 1.063 406 Y CB 0.494 39.008 38.460 0.091 0.000 1.294 406 Y HN -0.248 nan 8.280 nan 0.000 0.466 407 I N 0.984 121.613 120.570 0.098 0.000 2.783 407 I HA 0.679 4.849 4.170 -0.000 0.000 0.312 407 I C 0.135 176.262 176.117 0.017 0.000 0.988 407 I CA -0.403 60.871 61.300 -0.043 0.000 1.182 407 I CB 1.635 39.541 38.000 -0.157 0.000 1.368 407 I HN 0.861 nan 8.210 nan 0.000 0.511 408 T N 3.297 117.751 114.554 -0.166 0.000 2.885 408 T HA 0.739 5.089 4.350 -0.000 0.000 0.322 408 T C -1.047 173.304 174.700 -0.582 0.000 1.387 408 T CA -0.289 61.629 62.100 -0.304 0.000 1.041 408 T CB 0.648 69.264 68.868 -0.421 0.000 1.287 408 T HN 0.916 nan 8.240 nan 0.000 0.491 409 c N 1.253 119.550 118.600 -0.505 0.000 3.260 409 c HA 0.653 5.223 4.570 -0.000 0.000 0.366 409 c C -1.065 172.983 174.090 -0.071 0.000 1.537 409 c CA -1.473 54.490 56.329 -0.611 0.000 1.160 409 c CB 0.413 42.756 42.510 -0.278 0.000 1.760 409 c HN 0.997 nan 8.230 nan 0.000 0.432 410 K N 1.373 121.872 120.400 0.164 0.000 2.402 410 K HA 0.421 4.741 4.320 -0.000 0.000 0.285 410 K C -0.234 176.375 176.600 0.016 0.000 1.054 410 K CA 0.310 56.647 56.287 0.083 0.000 1.001 410 K CB 0.021 32.593 32.500 0.120 0.000 0.946 410 K HN 0.517 nan 8.250 nan 0.000 0.473 411 F N -0.172 119.840 119.950 0.103 0.000 2.375 411 F HA 0.407 4.934 4.527 -0.000 0.000 0.313 411 F C 0.226 176.079 175.800 0.089 0.000 1.176 411 F CA -0.743 57.301 58.000 0.075 0.000 1.142 411 F CB 0.483 39.509 39.000 0.043 0.000 1.275 411 F HN 0.143 nan 8.300 nan 0.000 0.544 412 T N 0.156 114.957 114.554 0.412 0.000 2.841 412 T HA 0.472 4.822 4.350 -0.000 0.000 0.283 412 T C -0.800 174.071 174.700 0.285 0.000 1.000 412 T CA -0.725 61.551 62.100 0.294 0.000 0.977 412 T CB 1.376 70.365 68.868 0.201 0.000 0.979 412 T HN 0.831 nan 8.240 nan 0.000 0.446 413 T N 0.946 115.627 114.554 0.211 0.000 2.744 413 T HA 0.584 4.934 4.350 -0.000 0.000 0.291 413 T C 0.034 174.633 174.700 -0.168 0.000 0.957 413 T CA -0.747 61.352 62.100 -0.000 0.000 1.002 413 T CB 0.599 69.487 68.868 0.034 0.000 0.919 413 T HN 0.297 nan 8.240 nan 0.000 0.468 414 V N 3.623 123.270 119.914 -0.445 0.000 2.439 414 V HA 0.445 4.565 4.120 -0.000 0.000 0.282 414 V C -0.029 175.767 176.094 -0.496 0.000 1.039 414 V CA -0.790 61.189 62.300 -0.534 0.000 0.913 414 V CB 1.526 32.796 31.823 -0.921 0.000 0.983 414 V HN 0.825 nan 8.190 nan 0.000 0.460 415 V N 6.285 126.044 119.914 -0.259 0.000 2.327 415 V HA 0.338 4.458 4.120 -0.000 0.000 0.272 415 V C -2.280 173.776 176.094 -0.064 0.000 1.019 415 V CA -1.363 60.829 62.300 -0.180 0.000 0.814 415 V CB 1.083 32.809 31.823 -0.162 0.000 1.040 415 V HN 0.819 nan 8.190 nan 0.000 0.440 416 P HA 0.286 nan 4.420 nan 0.000 0.275 416 P C 0.241 177.567 177.300 0.043 0.000 1.227 416 P CA -0.051 63.081 63.100 0.055 0.000 0.781 416 P CB 0.625 32.406 31.700 0.134 0.000 0.906 417 S N 4.063 119.787 115.700 0.039 0.000 2.593 417 S HA 0.053 4.523 4.470 -0.000 0.000 0.300 417 S C -1.808 172.827 174.600 0.058 0.000 1.267 417 S CA -0.431 57.794 58.200 0.042 0.000 1.065 417 S CB -0.746 62.476 63.200 0.037 0.000 0.807 417 S HN 0.421 nan 8.310 nan 0.000 0.499 418 P HA 0.130 nan 4.420 nan 0.000 0.271 418 P C -0.820 176.534 177.300 0.090 0.000 1.216 418 P CA -0.367 62.785 63.100 0.087 0.000 0.771 418 P CB 0.456 32.223 31.700 0.112 0.000 0.864 419 K N 3.819 124.271 120.400 0.087 0.000 2.310 419 K HA 0.272 4.592 4.320 -0.000 0.000 0.290 419 K C 0.336 176.993 176.600 0.095 0.000 1.077 419 K CA -0.450 55.885 56.287 0.081 0.000 0.922 419 K CB -0.112 32.430 32.500 0.069 0.000 1.057 419 K HN 0.479 nan 8.250 nan 0.000 0.479 420 I N -0.672 119.962 120.570 0.106 0.000 2.404 420 I HA 0.402 4.572 4.170 -0.000 0.000 0.293 420 I C -0.173 176.010 176.117 0.111 0.000 0.992 420 I CA -0.548 60.831 61.300 0.131 0.000 1.149 420 I CB 1.595 39.712 38.000 0.195 0.000 1.315 420 I HN 0.273 nan 8.210 nan 0.000 0.446 421 K N 6.186 126.650 120.400 0.107 0.000 2.367 421 K HA 0.399 4.719 4.320 -0.000 0.000 0.263 421 K C -1.092 175.577 176.600 0.115 0.000 1.000 421 K CA -0.567 55.777 56.287 0.096 0.000 0.891 421 K CB 1.189 33.734 32.500 0.075 0.000 1.117 421 K HN 0.956 nan 8.250 nan 0.000 0.443 422 c N 5.858 124.535 118.600 0.127 0.000 2.667 422 c HA 0.135 4.705 4.570 -0.000 0.000 0.385 422 c C 0.404 174.589 174.090 0.159 0.000 1.299 422 c CA 0.116 56.543 56.329 0.163 0.000 1.554 422 c CB -2.271 40.349 42.510 0.183 0.000 2.275 422 c HN 1.025 nan 8.230 nan 0.000 0.588 423 c N 4.407 123.095 118.600 0.147 0.000 4.689 423 c HA 0.093 4.663 4.570 -0.000 0.000 0.305 423 c C 0.685 174.832 174.090 0.095 0.000 1.194 423 c CA 0.452 56.858 56.329 0.129 0.000 2.314 423 c CB -2.592 40.030 42.510 0.187 0.000 1.188 423 c HN 1.398 nan 8.230 nan 0.000 0.746 424 G N -0.175 108.672 108.800 0.078 0.000 2.600 424 G HA2 0.801 4.761 3.960 -0.000 0.000 0.293 424 G HA3 0.801 4.761 3.960 -0.000 0.000 0.293 424 G C -0.693 174.236 174.900 0.048 0.000 1.408 424 G CA 0.334 45.469 45.100 0.059 0.000 0.782 424 G HN 1.157 nan 8.290 nan 0.000 0.482 425 S N -0.675 115.047 115.700 0.036 0.000 2.508 425 S HA 0.701 5.171 4.470 -0.000 0.000 0.284 425 S C -0.342 174.273 174.600 0.024 0.000 1.192 425 S CA -0.683 57.533 58.200 0.026 0.000 1.070 425 S CB 1.631 64.841 63.200 0.017 0.000 1.004 425 S HN 0.534 nan 8.310 nan 0.000 0.493 426 L N 2.255 123.489 121.223 0.019 0.000 2.502 426 L HA 0.335 4.675 4.340 -0.000 0.000 0.247 426 L C -0.125 176.746 176.870 0.001 0.000 1.180 426 L CA -0.126 54.724 54.840 0.017 0.000 0.956 426 L CB 0.685 42.761 42.059 0.029 0.000 1.282 426 L HN 0.800 nan 8.230 nan 0.000 0.470 427 E N 1.623 121.822 120.200 -0.001 0.000 2.081 427 E HA 0.018 4.368 4.350 -0.000 0.000 0.270 427 E C 0.159 176.757 176.600 -0.003 0.000 1.180 427 E CA -0.251 56.143 56.400 -0.010 0.000 0.926 427 E CB 0.841 30.536 29.700 -0.009 0.000 1.035 427 E HN 0.513 nan 8.360 nan 0.000 0.418 428 c N 3.859 122.454 118.600 -0.008 0.000 2.703 428 c HA 0.073 4.643 4.570 -0.000 0.000 0.411 428 c C 0.261 174.368 174.090 0.029 0.000 1.290 428 c CA -0.226 56.114 56.329 0.018 0.000 2.054 428 c CB 0.212 42.730 42.510 0.013 0.000 2.732 428 c HN 0.762 nan 8.230 nan 0.000 0.650 429 Q N 3.938 123.769 119.800 0.051 0.000 2.353 429 Q HA 0.449 4.789 4.340 -0.000 0.000 0.268 429 Q C -2.442 173.594 176.000 0.061 0.000 1.045 429 Q CA -1.554 54.270 55.803 0.036 0.000 0.811 429 Q CB 1.623 30.366 28.738 0.007 0.000 1.305 429 Q HN 0.653 nan 8.270 nan 0.000 0.447 430 P HA -0.007 nan 4.420 nan 0.000 0.252 430 P C -1.387 175.879 177.300 -0.057 0.000 1.183 430 P CA 0.355 63.487 63.100 0.054 0.000 0.973 430 P CB 0.008 31.722 31.700 0.023 0.000 0.990 431 A N 3.977 126.659 122.820 -0.231 0.000 2.798 431 A HA 0.511 4.831 4.320 -0.000 0.000 0.316 431 A C 0.894 178.231 177.584 -0.411 0.000 1.506 431 A CA -0.500 51.271 52.037 -0.443 0.000 1.162 431 A CB -0.453 18.121 19.000 -0.710 0.000 1.138 431 A HN 0.537 nan 8.150 nan 0.000 0.532 432 A N 4.130 126.844 122.820 -0.178 0.000 2.524 432 A HA 0.445 4.765 4.320 -0.000 0.000 0.271 432 A C 0.544 178.107 177.584 -0.035 0.000 1.097 432 A CA 1.002 52.985 52.037 -0.090 0.000 0.791 432 A CB -0.710 18.256 19.000 -0.056 0.000 1.028 432 A HN 1.399 nan 8.150 nan 0.000 0.518 433 H N -0.250 118.720 119.070 -0.168 0.000 2.876 433 H HA 0.533 5.089 4.556 -0.000 0.000 0.284 433 H C 0.549 175.838 175.328 -0.066 0.000 1.445 433 H CA -0.151 55.807 56.048 -0.150 0.000 1.141 433 H CB 0.225 29.834 29.762 -0.255 0.000 1.816 433 H HN 1.342 nan 8.280 nan 0.000 0.511 434 A N 0.437 123.108 122.820 -0.249 0.000 2.722 434 A HA -0.260 4.060 4.320 -0.000 0.000 0.331 434 A C 1.459 178.936 177.584 -0.179 0.000 1.052 434 A CA 2.784 54.720 52.037 -0.169 0.000 1.262 434 A CB -1.845 17.128 19.000 -0.044 0.000 0.594 434 A HN 1.539 nan 8.150 nan 0.000 0.441 435 G N -2.559 106.146 108.800 -0.159 0.000 4.649 435 G HA2 0.463 4.423 3.960 -0.000 0.000 0.312 435 G HA3 0.463 4.423 3.960 -0.000 0.000 0.312 435 G C -0.312 174.521 174.900 -0.112 0.000 1.403 435 G CA 0.182 45.194 45.100 -0.145 0.000 1.248 435 G HN 0.643 nan 8.290 nan 0.000 0.581 436 Y N 2.595 122.740 120.300 -0.258 0.000 2.411 436 Y HA 0.473 5.023 4.550 0.000 0.000 0.333 436 Y C 0.469 176.303 175.900 -0.110 0.000 1.186 436 Y CA 0.039 58.021 58.100 -0.196 0.000 1.381 436 Y CB 1.121 39.444 38.460 -0.229 0.000 1.273 436 Y HN 0.295 nan 8.280 nan 0.000 0.546 437 T N 3.774 117.846 114.554 -0.803 0.000 3.041 437 T HA 0.521 4.871 4.350 -0.000 0.000 0.321 437 T C -0.923 173.321 174.700 -0.760 0.000 1.184 437 T CA -0.945 60.778 62.100 -0.628 0.000 1.050 437 T CB 0.009 68.691 68.868 -0.310 0.000 1.159 437 T HN 0.916 nan 8.240 nan 0.000 0.469 438 c N 1.254 119.550 118.600 -0.506 0.000 2.848 438 c HA 0.960 5.530 4.570 -0.000 0.000 0.317 438 c C -1.231 172.722 174.090 -0.228 0.000 1.260 438 c CA -0.653 55.485 56.329 -0.318 0.000 1.656 438 c CB 1.425 43.838 42.510 -0.162 0.000 2.174 438 c HN 1.206 nan 8.230 nan 0.000 0.479 439 K N 1.492 121.741 120.400 -0.252 0.000 2.542 439 K HA 0.585 4.905 4.320 -0.000 0.000 0.259 439 K C -1.695 174.553 176.600 -0.586 0.000 0.932 439 K CA -0.453 55.566 56.287 -0.446 0.000 0.820 439 K CB 2.524 34.664 32.500 -0.600 0.000 1.345 439 K HN 0.719 nan 8.250 nan 0.000 0.432 440 V N 4.037 123.629 119.914 -0.536 0.000 2.385 440 V HA 0.410 4.530 4.120 -0.000 0.000 0.269 440 V C -0.670 175.124 176.094 -0.500 0.000 1.043 440 V CA -0.476 61.597 62.300 -0.378 0.000 0.906 440 V CB 0.032 31.743 31.823 -0.186 0.000 0.995 440 V HN 0.476 nan 8.190 nan 0.000 0.467 441 F N 2.859 122.793 119.950 -0.026 0.000 2.444 441 F HA 0.747 5.274 4.527 0.000 0.000 0.342 441 F C 0.857 176.628 175.800 -0.048 0.000 1.121 441 F CA -0.624 57.350 58.000 -0.042 0.000 0.997 441 F CB 1.825 40.788 39.000 -0.061 0.000 1.130 441 F HN 0.577 nan 8.300 nan 0.000 0.454 442 G N 0.393 109.278 108.800 0.143 0.000 2.434 442 G HA2 0.472 4.432 3.960 -0.000 0.000 0.330 442 G HA3 0.472 4.432 3.960 -0.000 0.000 0.330 442 G C 0.410 175.331 174.900 0.034 0.000 1.155 442 G CA -0.499 44.639 45.100 0.064 0.000 0.917 442 G HN 1.166 nan 8.290 nan 0.000 0.493 443 G N -0.534 108.275 108.800 0.014 0.000 2.350 443 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.298 443 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.298 443 G C 0.825 175.695 174.900 -0.049 0.000 1.037 443 G CA 0.350 45.447 45.100 -0.003 0.000 1.074 443 G HN 0.906 nan 8.290 nan 0.000 0.511 444 V N -0.694 119.163 119.914 -0.095 0.000 2.261 444 V HA 0.130 4.250 4.120 -0.000 0.000 0.235 444 V C 1.274 177.174 176.094 -0.323 0.000 1.044 444 V CA 1.354 63.469 62.300 -0.308 0.000 1.007 444 V CB -0.576 30.953 31.823 -0.491 0.000 0.647 444 V HN 0.397 nan 8.190 nan 0.000 0.462 445 Y N 1.411 121.733 120.300 0.036 0.000 2.342 445 Y HA 0.511 5.061 4.550 -0.000 0.000 0.334 445 Y C -1.993 173.933 175.900 0.043 0.000 1.067 445 Y CA -3.354 54.762 58.100 0.028 0.000 1.128 445 Y CB 0.204 38.675 38.460 0.020 0.000 1.200 445 Y HN 0.175 nan 8.280 nan 0.000 0.464 446 P HA -0.002 nan 4.420 nan 0.000 0.275 446 P C -0.225 177.194 177.300 0.199 0.000 1.270 446 P CA -0.217 62.979 63.100 0.160 0.000 0.791 446 P CB 0.823 32.599 31.700 0.125 0.000 1.089 450 G N 0.435 109.028 108.800 -0.345 0.000 2.834 450 G HA2 0.403 4.363 3.960 -0.000 0.000 0.204 450 G HA3 0.403 4.363 3.960 -0.000 0.000 0.204 450 G C 0.919 175.518 174.900 -0.502 0.000 1.176 450 G CA 0.574 45.477 45.100 -0.329 0.000 0.818 450 G HN 0.772 nan 8.290 nan 0.000 0.638 451 G N -0.811 107.683 108.800 -0.510 0.000 3.581 451 G HA2 0.602 4.562 3.960 -0.000 0.000 0.248 451 G HA3 0.602 4.562 3.960 -0.000 0.000 0.248 451 G C -0.043 174.567 174.900 -0.483 0.000 1.037 451 G CA 1.147 45.962 45.100 -0.475 0.000 0.902 451 G HN 1.133 nan 8.290 nan 0.000 0.512 452 A N -0.172 122.333 122.820 -0.524 0.000 2.599 452 A HA 0.698 5.018 4.320 -0.000 0.000 0.294 452 A C -1.848 175.560 177.584 -0.293 0.000 1.055 452 A CA -0.645 51.165 52.037 -0.379 0.000 0.683 452 A CB 1.136 19.912 19.000 -0.374 0.000 1.278 452 A HN -0.025 nan 8.150 nan 0.000 0.412 453 Q N 0.881 120.598 119.800 -0.137 0.000 2.626 453 Q HA 0.426 4.766 4.340 -0.000 0.000 0.239 453 Q C 0.010 176.040 176.000 0.050 0.000 1.101 453 Q CA -0.226 55.541 55.803 -0.061 0.000 0.918 453 Q CB 0.917 29.686 28.738 0.052 0.000 1.151 453 Q HN 0.812 nan 8.270 nan 0.000 0.531 454 c N 0.656 119.310 118.600 0.089 0.000 2.310 454 c HA 0.412 4.982 4.570 -0.000 0.000 0.279 454 c C 1.091 175.516 174.090 0.559 0.000 2.750 454 c CA -0.099 56.385 56.329 0.258 0.000 1.792 454 c CB 0.138 42.794 42.510 0.243 0.000 1.957 454 c HN 0.847 nan 8.230 nan 0.000 0.463 455 F N -0.136 120.059 119.950 0.408 0.000 2.244 455 F HA 0.402 4.929 4.527 -0.000 0.000 0.272 455 F C 0.892 176.828 175.800 0.227 0.000 0.882 455 F CA -0.207 58.069 58.000 0.460 0.000 1.101 455 F CB -0.658 38.452 39.000 0.183 0.000 1.097 455 F HN 0.526 nan 8.300 nan 0.000 0.762 456 c N 2.424 120.949 118.600 -0.125 0.000 2.500 456 c HA 0.321 4.891 4.570 -0.000 0.000 0.367 456 c C 1.290 175.350 174.090 -0.051 0.000 1.283 456 c CA -0.303 55.866 56.329 -0.267 0.000 2.456 456 c CB 0.947 43.392 42.510 -0.108 0.000 2.457 456 c HN 0.494 nan 8.230 nan 0.000 0.632 457 D N 0.502 120.860 120.400 -0.069 0.000 2.584 457 D HA -0.012 4.628 4.640 -0.000 0.000 0.254 457 D C 1.846 178.154 176.300 0.013 0.000 1.085 457 D CA 1.289 55.291 54.000 0.003 0.000 0.971 457 D CB -0.412 40.381 40.800 -0.012 0.000 1.103 457 D HN 0.666 nan 8.370 nan 0.000 0.453 458 S N -0.258 115.438 115.700 -0.006 0.000 2.614 458 S HA 0.202 4.672 4.470 -0.000 0.000 0.230 458 S C 0.509 175.113 174.600 0.007 0.000 0.952 458 S CA -0.252 57.949 58.200 0.002 0.000 0.949 458 S CB -0.078 63.120 63.200 -0.003 0.000 0.786 458 S HN 0.108 nan 8.310 nan 0.000 0.478 459 E N 1.295 121.502 120.200 0.011 0.000 2.939 459 E HA 0.312 4.662 4.350 -0.000 0.000 0.215 459 E C -0.874 175.755 176.600 0.049 0.000 1.025 459 E CA -0.337 56.078 56.400 0.025 0.000 1.259 459 E CB 0.252 29.964 29.700 0.020 0.000 1.228 459 E HN 0.318 nan 8.360 nan 0.000 0.443 460 N N 0.751 119.481 118.700 0.051 0.000 2.432 460 N HA 0.424 5.164 4.740 -0.000 0.000 0.292 460 N C -1.046 174.497 175.510 0.054 0.000 1.193 460 N CA -0.490 52.604 53.050 0.072 0.000 0.878 460 N CB 1.837 40.379 38.487 0.093 0.000 1.252 460 N HN 0.051 nan 8.380 nan 0.000 0.520 461 S N -0.825 114.917 115.700 0.069 0.000 2.562 461 S HA 0.402 4.872 4.470 -0.000 0.000 0.274 461 S C -1.037 173.611 174.600 0.080 0.000 1.160 461 S CA -0.933 57.304 58.200 0.061 0.000 0.933 461 S CB 1.889 65.118 63.200 0.049 0.000 1.100 461 S HN 0.590 nan 8.310 nan 0.000 0.468 465 E N 1.640 121.827 120.200 -0.021 0.000 2.266 465 E HA 0.919 5.269 4.350 -0.000 0.000 0.268 465 E C -0.681 175.867 176.600 -0.087 0.000 0.879 465 E CA -1.356 54.984 56.400 -0.099 0.000 0.762 465 E CB 2.168 31.922 29.700 0.090 0.000 1.199 465 E HN 0.655 nan 8.360 nan 0.000 0.422 466 A N 1.589 124.294 122.820 -0.191 0.000 2.605 466 A HA 0.653 4.973 4.320 -0.000 0.000 0.294 466 A C -1.855 175.674 177.584 -0.092 0.000 1.062 466 A CA -0.848 51.086 52.037 -0.171 0.000 0.682 466 A CB 0.878 19.637 19.000 -0.401 0.000 1.278 466 A HN 0.796 nan 8.150 nan 0.000 0.410 467 Y N -1.279 118.948 120.300 -0.122 0.000 2.829 467 Y HA 0.840 5.390 4.550 0.000 0.000 0.322 467 Y C -0.517 175.321 175.900 -0.103 0.000 1.357 467 Y CA -1.085 56.939 58.100 -0.125 0.000 1.081 467 Y CB 0.856 39.269 38.460 -0.078 0.000 1.339 467 Y HN 1.304 nan 8.280 nan 0.000 0.469 468 V N -1.568 118.386 119.914 0.067 0.000 2.864 468 V HA 0.822 4.942 4.120 -0.000 0.000 0.314 468 V C -0.740 175.476 176.094 0.204 0.000 1.073 468 V CA -0.691 61.620 62.300 0.017 0.000 0.956 468 V CB 1.749 33.464 31.823 -0.179 0.000 1.023 468 V HN 1.007 nan 8.190 nan 0.000 0.435 469 E N 1.937 122.259 120.200 0.204 0.000 2.504 469 E HA 0.660 5.010 4.350 -0.000 0.000 0.235 469 E C -1.270 175.451 176.600 0.202 0.000 0.827 469 E CA -1.125 55.406 56.400 0.220 0.000 0.903 469 E CB 2.007 31.845 29.700 0.230 0.000 1.622 469 E HN 0.660 nan 8.360 nan 0.000 0.392 470 L N 0.628 121.951 121.223 0.167 0.000 2.379 470 L HA 0.348 4.688 4.340 -0.000 0.000 0.269 470 L C 0.494 177.468 176.870 0.173 0.000 1.084 470 L CA -0.523 54.407 54.840 0.150 0.000 0.802 470 L CB 1.373 43.491 42.059 0.100 0.000 1.175 470 L HN 0.344 nan 8.230 nan 0.000 0.448 471 S N 0.532 116.337 115.700 0.175 0.000 2.593 471 S HA 0.238 4.707 4.470 -0.000 0.000 0.269 471 S C 1.182 175.908 174.600 0.211 0.000 1.334 471 S CA 0.064 58.396 58.200 0.220 0.000 1.015 471 S CB 1.319 64.658 63.200 0.231 0.000 0.912 471 S HN 0.697 nan 8.310 nan 0.000 0.541 472 A N 2.400 125.370 122.820 0.251 0.000 2.131 472 A HA -0.056 4.264 4.320 -0.000 0.000 0.220 472 A C 1.054 178.720 177.584 0.137 0.000 1.158 472 A CA 1.671 53.812 52.037 0.175 0.000 0.665 472 A CB -0.316 18.739 19.000 0.092 0.000 0.795 472 A HN 0.823 nan 8.150 nan 0.000 0.460 473 D N -2.558 117.940 120.400 0.163 0.000 2.503 473 D HA 0.124 4.764 4.640 -0.000 0.000 0.218 473 D C 1.119 177.505 176.300 0.144 0.000 1.183 473 D CA -0.176 53.904 54.000 0.134 0.000 0.827 473 D CB -0.580 40.313 40.800 0.155 0.000 1.034 473 D HN 0.295 nan 8.370 nan 0.000 0.510 474 c N 1.266 119.951 118.600 0.143 0.000 2.392 474 c HA -0.224 4.346 4.570 -0.000 0.000 0.276 474 c C 2.813 176.996 174.090 0.155 0.000 1.212 474 c CA 1.677 58.079 56.329 0.121 0.000 1.791 474 c CB -0.743 41.812 42.510 0.073 0.000 2.063 474 c HN 0.462 nan 8.230 nan 0.000 0.481 475 A N -1.546 121.350 122.820 0.126 0.000 1.898 475 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 475 A C 2.342 180.066 177.584 0.234 0.000 1.181 475 A CA 2.124 54.248 52.037 0.144 0.000 0.620 475 A CB -0.887 18.149 19.000 0.061 0.000 0.819 475 A HN 0.524 nan 8.150 nan 0.000 0.442 476 S N -1.221 114.555 115.700 0.126 0.000 2.461 476 S HA -0.049 4.421 4.470 -0.000 0.000 0.228 476 S C 0.026 174.637 174.600 0.018 0.000 1.005 476 S CA 0.927 59.162 58.200 0.058 0.000 0.942 476 S CB -0.165 63.047 63.200 0.021 0.000 0.776 476 S HN 0.556 nan 8.310 nan 0.000 0.514 477 D N 0.778 121.221 120.400 0.072 0.000 2.336 477 D HA 0.248 4.888 4.640 -0.000 0.000 0.248 477 D C -0.470 175.890 176.300 0.100 0.000 1.326 477 D CA -0.539 53.497 54.000 0.061 0.000 0.973 477 D CB 0.445 41.374 40.800 0.216 0.000 1.255 477 D HN 0.549 nan 8.370 nan 0.000 0.558 478 H N 0.364 119.388 119.070 -0.077 0.000 3.199 478 H HA 0.937 5.493 4.556 0.000 0.000 0.292 478 H C -1.317 173.848 175.328 -0.272 0.000 1.600 478 H CA -1.207 54.658 56.048 -0.305 0.000 1.235 478 H CB 0.947 30.553 29.762 -0.259 0.000 1.839 478 H HN 0.262 nan 8.280 nan 0.000 0.623 479 A N -0.074 122.692 122.820 -0.091 0.000 2.524 479 A HA 0.524 4.844 4.320 -0.000 0.000 0.286 479 A C -1.463 176.151 177.584 0.050 0.000 1.203 479 A CA -0.895 51.164 52.037 0.035 0.000 0.736 479 A CB 2.026 21.148 19.000 0.203 0.000 1.322 479 A HN 0.650 nan 8.150 nan 0.000 0.424 480 Q N 0.266 120.068 119.800 0.003 0.000 2.337 480 Q HA 0.549 4.889 4.340 -0.000 0.000 0.260 480 Q C -0.611 175.204 176.000 -0.309 0.000 0.982 480 Q CA -0.608 55.123 55.803 -0.119 0.000 0.734 480 Q CB 1.980 30.686 28.738 -0.052 0.000 1.272 480 Q HN 0.987 nan 8.270 nan 0.000 0.461 481 A N 3.797 126.219 122.820 -0.663 0.000 2.488 481 A HA 0.542 4.862 4.320 -0.000 0.000 0.249 481 A C -0.259 176.764 177.584 -0.934 0.000 1.083 481 A CA 0.264 51.449 52.037 -1.420 0.000 0.768 481 A CB 0.105 17.600 19.000 -2.508 0.000 1.017 481 A HN 0.779 nan 8.150 nan 0.000 0.496 482 I N 2.961 123.190 120.570 -0.567 0.000 2.611 482 I HA 0.166 4.336 4.170 -0.000 0.000 0.287 482 I C -0.288 175.942 176.117 0.188 0.000 1.184 482 I CA -0.460 60.797 61.300 -0.071 0.000 1.054 482 I CB 1.979 39.932 38.000 -0.078 0.000 1.257 482 I HN 0.652 nan 8.210 nan 0.000 0.435 483 K N 4.574 125.046 120.400 0.119 0.000 2.202 483 K HA 0.604 4.924 4.320 -0.000 0.000 0.264 483 K C -0.797 175.766 176.600 -0.062 0.000 1.010 483 K CA -0.573 55.668 56.287 -0.076 0.000 0.940 483 K CB 2.199 34.607 32.500 -0.154 0.000 0.983 483 K HN 0.235 nan 8.250 nan 0.000 0.475 484 V N 2.992 122.860 119.914 -0.077 0.000 2.462 484 V HA 0.089 4.209 4.120 -0.000 0.000 0.288 484 V C -0.869 175.303 176.094 0.130 0.000 1.020 484 V CA -0.774 61.519 62.300 -0.012 0.000 0.857 484 V CB 0.964 32.740 31.823 -0.078 0.000 1.013 484 V HN 0.707 nan 8.190 nan 0.000 0.431 485 H N 2.421 121.506 119.070 0.024 0.000 2.525 485 H HA 0.602 5.158 4.556 -0.000 0.000 0.340 485 H C 0.579 175.927 175.328 0.032 0.000 1.168 485 H CA -0.044 56.041 56.048 0.063 0.000 1.247 485 H CB 1.611 31.419 29.762 0.076 0.000 1.568 485 H HN 0.646 nan 8.280 nan 0.000 0.536 486 T N 1.492 115.695 114.554 -0.585 0.000 2.906 486 T HA 0.347 4.697 4.350 -0.000 0.000 0.329 486 T C 0.467 175.068 174.700 -0.165 0.000 1.091 486 T CA 0.598 62.498 62.100 -0.333 0.000 1.127 486 T CB 0.216 68.857 68.868 -0.379 0.000 1.035 486 T HN 0.694 nan 8.240 nan 0.000 0.547 487 A N 0.977 123.754 122.820 -0.072 0.000 2.869 487 A HA 0.947 5.267 4.320 -0.000 0.000 0.244 487 A C 0.097 177.694 177.584 0.022 0.000 1.374 487 A CA -0.259 51.770 52.037 -0.014 0.000 0.913 487 A CB 0.565 19.574 19.000 0.016 0.000 1.589 487 A HN 1.169 nan 8.150 nan 0.000 0.485 491 V N 0.358 120.158 119.914 -0.189 0.000 2.851 491 V HA 0.442 4.562 4.120 -0.000 0.000 0.307 491 V C -0.126 175.893 176.094 -0.124 0.000 1.129 491 V CA -0.835 61.390 62.300 -0.125 0.000 0.932 491 V CB 1.997 33.740 31.823 -0.132 0.000 1.024 491 V HN 0.882 nan 8.190 nan 0.000 0.426 492 G N 4.749 113.532 108.800 -0.029 0.000 2.639 492 G HA2 0.507 4.467 3.960 -0.000 0.000 0.312 492 G HA3 0.507 4.467 3.960 -0.000 0.000 0.312 492 G C -0.453 174.319 174.900 -0.213 0.000 0.911 492 G CA -0.206 44.935 45.100 0.068 0.000 1.410 492 G HN 0.526 nan 8.290 nan 0.000 0.469 493 L N 2.659 123.466 121.223 -0.693 0.000 2.276 493 L HA 0.469 4.809 4.340 -0.000 0.000 0.286 493 L C 0.446 176.882 176.870 -0.723 0.000 1.061 493 L CA -0.729 53.801 54.840 -0.516 0.000 0.807 493 L CB 1.498 43.331 42.059 -0.377 0.000 1.177 493 L HN 0.340 nan 8.230 nan 0.000 0.429 494 R N 4.976 125.397 120.500 -0.131 0.000 2.320 494 R HA 0.460 4.800 4.340 -0.000 0.000 0.319 494 R C -1.308 175.032 176.300 0.067 0.000 0.969 494 R CA -0.659 55.524 56.100 0.139 0.000 0.857 494 R CB 0.784 31.346 30.300 0.437 0.000 1.160 494 R HN 0.447 nan 8.270 nan 0.000 0.491 495 I N 3.773 124.359 120.570 0.026 0.000 2.392 495 I HA 0.353 4.523 4.170 -0.000 0.000 0.295 495 I C -0.155 176.032 176.117 0.117 0.000 0.985 495 I CA -0.849 60.465 61.300 0.024 0.000 1.221 495 I CB 1.990 39.943 38.000 -0.079 0.000 1.366 495 I HN 0.108 nan 8.210 nan 0.000 0.467 496 V N 6.421 126.419 119.914 0.140 0.000 2.487 496 V HA 0.477 4.597 4.120 -0.000 0.000 0.298 496 V C -1.110 175.145 176.094 0.268 0.000 1.028 496 V CA -0.710 61.719 62.300 0.215 0.000 0.860 496 V CB 1.318 33.201 31.823 0.100 0.000 0.991 496 V HN 0.654 nan 8.190 nan 0.000 0.427 497 Y N 2.359 122.615 120.300 -0.074 0.000 2.329 497 Y HA 0.773 5.323 4.550 -0.000 0.000 0.328 497 Y C 0.740 176.555 175.900 -0.142 0.000 0.992 497 Y CA -0.392 57.630 58.100 -0.129 0.000 1.151 497 Y CB 1.523 39.883 38.460 -0.167 0.000 1.150 497 Y HN 0.977 nan 8.280 nan 0.000 0.450 498 G N 3.478 112.195 108.800 -0.138 0.000 2.611 498 G HA2 -0.444 3.516 3.960 -0.000 0.000 0.301 498 G HA3 -0.444 3.516 3.960 -0.000 0.000 0.301 498 G C 0.367 175.154 174.900 -0.189 0.000 1.233 498 G CA 0.986 45.975 45.100 -0.186 0.000 0.993 498 G HN 0.728 nan 8.290 nan 0.000 0.553 499 N N 1.767 120.339 118.700 -0.214 0.000 2.521 499 N HA 0.216 4.956 4.740 -0.000 0.000 0.188 499 N C 0.825 176.222 175.510 -0.189 0.000 1.146 499 N CA 1.529 54.483 53.050 -0.161 0.000 0.893 499 N CB 0.132 38.545 38.487 -0.124 0.000 0.975 499 N HN 0.979 nan 8.380 nan 0.000 0.451 500 T N -2.619 111.741 114.554 -0.323 0.000 2.876 500 T HA 0.577 4.927 4.350 -0.000 0.000 0.289 500 T C -0.157 174.440 174.700 -0.172 0.000 1.014 500 T CA -0.957 60.961 62.100 -0.302 0.000 0.986 500 T CB 2.111 70.717 68.868 -0.436 0.000 1.021 500 T HN 0.038 nan 8.240 nan 0.000 0.458 501 T N -0.523 114.038 114.554 0.011 0.000 2.812 501 T HA 0.714 5.064 4.350 -0.000 0.000 0.282 501 T C -0.465 174.347 174.700 0.186 0.000 0.990 501 T CA -0.620 61.562 62.100 0.138 0.000 0.960 501 T CB 1.592 70.512 68.868 0.087 0.000 0.948 501 T HN 0.735 nan 8.240 nan 0.000 0.438 502 S N 2.496 118.345 115.700 0.249 0.000 2.671 502 S HA 0.855 5.325 4.470 -0.000 0.000 0.299 502 S C -1.893 172.834 174.600 0.212 0.000 1.116 502 S CA -0.867 57.460 58.200 0.212 0.000 0.912 502 S CB 1.361 64.684 63.200 0.206 0.000 1.130 502 S HN 0.766 nan 8.310 nan 0.000 0.501 503 F N 3.248 123.218 119.950 0.034 0.000 2.585 503 F HA 0.634 5.161 4.527 0.000 0.000 0.319 503 F C -1.733 174.071 175.800 0.006 0.000 1.165 503 F CA -0.878 57.131 58.000 0.015 0.000 0.949 503 F CB 1.080 40.089 39.000 0.014 0.000 1.218 503 F HN 0.546 nan 8.300 nan 0.000 0.453 504 L N 2.362 123.274 121.223 -0.519 0.000 2.370 504 L HA 0.755 5.095 4.340 -0.000 0.000 0.266 504 L C -1.396 175.185 176.870 -0.481 0.000 1.002 504 L CA -0.785 53.880 54.840 -0.291 0.000 0.818 504 L CB 1.610 43.572 42.059 -0.163 0.000 1.325 504 L HN 0.356 nan 8.230 nan 0.000 0.418 505 D N 0.829 121.131 120.400 -0.164 0.000 2.264 505 D HA 0.642 5.282 4.640 -0.000 0.000 0.249 505 D C -0.803 175.433 176.300 -0.107 0.000 1.070 505 D CA -0.025 53.895 54.000 -0.133 0.000 0.912 505 D CB 2.162 42.953 40.800 -0.015 0.000 1.193 505 D HN 0.611 nan 8.370 nan 0.000 0.427 506 V N 2.850 122.683 119.914 -0.135 0.000 2.711 506 V HA 0.290 4.410 4.120 -0.000 0.000 0.304 506 V C -1.560 174.487 176.094 -0.079 0.000 1.097 506 V CA -0.661 61.605 62.300 -0.057 0.000 0.906 506 V CB 0.778 32.559 31.823 -0.071 0.000 1.015 506 V HN 0.503 nan 8.190 nan 0.000 0.427 507 Y N 4.258 124.532 120.300 -0.043 0.000 2.497 507 Y HA 0.274 4.824 4.550 0.000 0.000 0.334 507 Y C 0.840 176.713 175.900 -0.045 0.000 1.199 507 Y CA 0.229 58.308 58.100 -0.035 0.000 1.425 507 Y CB 1.185 39.630 38.460 -0.025 0.000 1.291 507 Y HN 0.441 nan 8.280 nan 0.000 0.562 508 V N 5.535 125.494 119.914 0.075 0.000 2.221 508 V HA 0.190 4.310 4.120 -0.000 0.000 0.258 508 V C -0.658 175.453 176.094 0.028 0.000 1.179 508 V CA -0.343 61.966 62.300 0.015 0.000 1.022 508 V CB -1.195 30.606 31.823 -0.037 0.000 1.228 508 V HN 0.812 nan 8.190 nan 0.000 0.487 509 N N 2.280 120.997 118.700 0.029 0.000 2.494 509 N HA 0.331 5.071 4.740 -0.000 0.000 0.270 509 N C 0.781 176.287 175.510 -0.007 0.000 1.285 509 N CA -0.387 52.669 53.050 0.011 0.000 0.812 509 N CB 1.552 40.049 38.487 0.018 0.000 1.557 509 N HN 0.156 nan 8.380 nan 0.000 0.487 510 G N -1.014 107.777 108.800 -0.016 0.000 2.740 510 G HA2 0.068 4.028 3.960 -0.000 0.000 0.208 510 G HA3 0.068 4.028 3.960 -0.000 0.000 0.208 510 G C 0.742 175.627 174.900 -0.024 0.000 1.148 510 G CA 1.322 46.407 45.100 -0.025 0.000 0.795 510 G HN 0.638 nan 8.290 nan 0.000 0.526 511 V N -3.598 116.304 119.914 -0.019 0.000 3.444 511 V HA 0.296 4.416 4.120 -0.000 0.000 0.210 511 V C 1.110 177.191 176.094 -0.021 0.000 1.217 511 V CA 0.448 62.734 62.300 -0.023 0.000 1.302 511 V CB -0.517 31.290 31.823 -0.027 0.000 1.341 511 V HN -0.078 nan 8.190 nan 0.000 0.522 512 T N 4.861 119.404 114.554 -0.019 0.000 2.792 512 T HA 0.321 4.671 4.350 -0.000 0.000 0.286 512 T C -2.423 172.280 174.700 0.006 0.000 0.970 512 T CA 0.160 62.249 62.100 -0.018 0.000 1.187 512 T CB 0.303 69.145 68.868 -0.043 0.000 0.915 512 T HN 0.513 nan 8.240 nan 0.000 0.529 513 P HA 0.314 nan 4.420 nan 0.000 0.285 513 P C 0.246 177.549 177.300 0.005 0.000 1.259 513 P CA -0.533 62.562 63.100 -0.008 0.000 0.794 513 P CB 0.680 32.371 31.700 -0.016 0.000 0.940 514 G N 1.654 110.450 108.800 -0.006 0.000 2.494 514 G HA2 0.187 4.147 3.960 -0.000 0.000 0.297 514 G HA3 0.187 4.147 3.960 -0.000 0.000 0.297 514 G C 0.622 175.519 174.900 -0.005 0.000 0.971 514 G CA -0.317 44.781 45.100 -0.004 0.000 1.378 514 G HN 0.509 nan 8.290 nan 0.000 0.456 515 T N 0.192 114.754 114.554 0.015 0.000 4.496 515 T HA 0.087 4.437 4.350 -0.000 0.000 0.248 515 T C 1.023 175.735 174.700 0.019 0.000 0.797 515 T CA -0.155 61.954 62.100 0.015 0.000 1.100 515 T CB -0.283 68.598 68.868 0.020 0.000 1.356 515 T HN 0.273 nan 8.240 nan 0.000 0.727 516 S N 1.286 116.991 115.700 0.009 0.000 2.531 516 S HA 0.150 4.620 4.470 -0.000 0.000 0.279 516 S C 1.555 176.169 174.600 0.022 0.000 1.305 516 S CA -0.855 57.356 58.200 0.018 0.000 1.058 516 S CB 0.532 63.731 63.200 -0.002 0.000 0.899 516 S HN 0.412 nan 8.310 nan 0.000 0.493 517 K N 3.519 123.941 120.400 0.036 0.000 1.991 517 K HA -0.095 4.225 4.320 -0.000 0.000 0.212 517 K C 1.019 177.642 176.600 0.039 0.000 1.049 517 K CA 1.726 58.034 56.287 0.036 0.000 0.932 517 K CB -0.471 32.053 32.500 0.040 0.000 0.717 517 K HN 0.583 nan 8.250 nan 0.000 0.441 518 D N -0.399 120.033 120.400 0.054 0.000 2.350 518 D HA 0.133 4.773 4.640 -0.000 0.000 0.213 518 D C -0.258 176.075 176.300 0.054 0.000 1.031 518 D CA 0.235 54.277 54.000 0.071 0.000 0.861 518 D CB 0.423 41.288 40.800 0.109 0.000 0.926 518 D HN -0.047 nan 8.370 nan 0.000 0.520 519 L N 0.873 122.102 121.223 0.011 0.000 2.441 519 L HA 0.349 4.689 4.340 -0.000 0.000 0.270 519 L C -0.909 175.930 176.870 -0.052 0.000 0.973 519 L CA -0.676 54.132 54.840 -0.053 0.000 0.842 519 L CB 1.633 43.608 42.059 -0.140 0.000 1.239 519 L HN -0.332 nan 8.230 nan 0.000 0.406 520 K N 4.273 124.645 120.400 -0.046 0.000 2.250 520 K HA 0.451 4.771 4.320 -0.000 0.000 0.280 520 K C -0.914 175.650 176.600 -0.060 0.000 1.098 520 K CA -0.393 55.869 56.287 -0.041 0.000 0.916 520 K CB 1.626 34.111 32.500 -0.025 0.000 1.209 520 K HN 0.221 nan 8.250 nan 0.000 0.461 521 V N 5.013 124.887 119.914 -0.067 0.000 2.581 521 V HA 0.474 4.594 4.120 -0.000 0.000 0.303 521 V C -0.128 175.928 176.094 -0.062 0.000 1.041 521 V CA -0.850 61.403 62.300 -0.078 0.000 0.907 521 V CB 1.718 33.478 31.823 -0.104 0.000 0.994 521 V HN 0.627 nan 8.190 nan 0.000 0.442 522 I N 3.293 123.825 120.570 -0.063 0.000 2.447 522 I HA 0.607 4.777 4.170 -0.000 0.000 0.287 522 I C 0.064 176.143 176.117 -0.063 0.000 1.023 522 I CA -0.678 60.591 61.300 -0.052 0.000 1.083 522 I CB 1.970 39.943 38.000 -0.045 0.000 1.245 522 I HN 0.670 nan 8.210 nan 0.000 0.434 523 A N 5.427 128.213 122.820 -0.057 0.000 2.294 523 A HA 0.671 4.991 4.320 -0.000 0.000 0.316 523 A C 0.598 178.147 177.584 -0.058 0.000 1.359 523 A CA -0.354 51.641 52.037 -0.071 0.000 0.956 523 A CB 0.192 19.144 19.000 -0.080 0.000 1.155 523 A HN 0.850 nan 8.150 nan 0.000 0.544 524 G N 2.717 111.476 108.800 -0.068 0.000 2.794 524 G HA2 0.378 4.338 3.960 -0.000 0.000 0.249 524 G HA3 0.378 4.338 3.960 -0.000 0.000 0.249 524 G C -2.624 172.244 174.900 -0.053 0.000 1.236 524 G CA -0.815 44.249 45.100 -0.059 0.000 0.880 524 G HN 0.506 nan 8.290 nan 0.000 0.586 525 P HA 0.080 nan 4.420 nan 0.000 0.267 525 P C 0.394 177.665 177.300 -0.049 0.000 1.209 525 P CA -0.423 62.657 63.100 -0.033 0.000 0.763 525 P CB 0.637 32.324 31.700 -0.022 0.000 0.816 526 I N 3.107 123.644 120.570 -0.055 0.000 3.058 526 I HA -0.168 4.002 4.170 -0.000 0.000 0.299 526 I C 1.513 177.590 176.117 -0.066 0.000 1.238 526 I CA 0.936 62.183 61.300 -0.090 0.000 1.423 526 I CB 0.494 38.430 38.000 -0.107 0.000 1.330 526 I HN 0.439 nan 8.210 nan 0.000 0.589 527 S N 4.910 120.554 115.700 -0.093 0.000 2.453 527 S HA 0.297 4.767 4.470 -0.000 0.000 0.231 527 S C 0.580 175.174 174.600 -0.010 0.000 1.005 527 S CA 0.301 58.467 58.200 -0.057 0.000 0.949 527 S CB -0.294 62.860 63.200 -0.076 0.000 0.774 527 S HN 1.085 nan 8.310 nan 0.000 0.510 528 A N 1.663 124.494 122.820 0.019 0.000 2.497 528 A HA 0.603 4.923 4.320 -0.000 0.000 0.280 528 A C -0.134 177.574 177.584 0.206 0.000 1.065 528 A CA -0.598 51.502 52.037 0.104 0.000 0.781 528 A CB 0.846 19.918 19.000 0.120 0.000 1.289 528 A HN 0.542 nan 8.150 nan 0.000 0.415 529 S N 1.599 117.396 115.700 0.162 0.000 2.506 529 S HA 0.449 4.919 4.470 -0.000 0.000 0.291 529 S C -0.441 174.315 174.600 0.260 0.000 1.230 529 S CA 0.145 58.453 58.200 0.181 0.000 1.107 529 S CB -0.426 62.832 63.200 0.096 0.000 0.942 529 S HN 1.309 nan 8.310 nan 0.000 0.502 530 F N 2.246 122.282 119.950 0.142 0.000 2.578 530 F HA 0.672 5.199 4.527 -0.000 0.000 0.311 530 F C -0.441 175.330 175.800 -0.048 0.000 1.094 530 F CA -0.381 57.601 58.000 -0.030 0.000 0.923 530 F CB 2.184 40.973 39.000 -0.352 0.000 1.230 530 F HN 0.603 nan 8.300 nan 0.000 0.450 531 T N 5.727 119.545 114.554 -1.227 0.000 2.900 531 T HA 0.490 4.840 4.350 -0.000 0.000 0.295 531 T C -2.419 171.530 174.700 -1.253 0.000 1.044 531 T CA -1.935 59.612 62.100 -0.921 0.000 0.995 531 T CB 2.023 70.751 68.868 -0.233 0.000 1.072 531 T HN 0.457 nan 8.240 nan 0.000 0.473 532 P HA 0.225 nan 4.420 nan 0.000 0.231 532 P C -0.327 176.596 177.300 -0.628 0.000 1.168 532 P CA 0.417 63.072 63.100 -0.741 0.000 0.779 532 P CB 0.033 31.176 31.700 -0.928 0.000 0.844 533 F N -0.176 119.683 119.950 -0.152 0.000 2.450 533 F HA 0.414 4.941 4.527 0.000 0.000 0.328 533 F C 0.926 176.705 175.800 -0.036 0.000 1.068 533 F CA -0.949 57.017 58.000 -0.057 0.000 1.007 533 F CB 0.395 39.376 39.000 -0.032 0.000 1.251 533 F HN -0.336 nan 8.300 nan 0.000 0.492 534 D N -1.249 119.280 120.400 0.215 0.000 2.326 534 D HA 0.117 4.757 4.640 -0.000 0.000 0.251 534 D C 0.875 177.271 176.300 0.160 0.000 1.023 534 D CA -0.303 53.787 54.000 0.150 0.000 0.966 534 D CB 0.856 41.724 40.800 0.114 0.000 1.156 534 D HN 0.668 nan 8.370 nan 0.000 0.494 535 H N 0.758 119.865 119.070 0.060 0.000 2.431 535 H HA -0.103 4.453 4.556 -0.000 0.000 0.297 535 H C -0.178 175.167 175.328 0.028 0.000 1.115 535 H CA 1.690 57.768 56.048 0.049 0.000 1.277 535 H CB 0.349 30.120 29.762 0.014 0.000 1.372 535 H HN 0.036 nan 8.280 nan 0.000 0.516 536 K N 0.095 120.409 120.400 -0.143 0.000 2.345 536 K HA 0.532 4.852 4.320 -0.000 0.000 0.255 536 K C -1.632 175.025 176.600 0.095 0.000 0.934 536 K CA -0.863 55.303 56.287 -0.202 0.000 0.801 536 K CB 2.834 34.975 32.500 -0.599 0.000 1.137 536 K HN -0.055 nan 8.250 nan 0.000 0.424 537 V N 2.925 123.031 119.914 0.320 0.000 2.888 537 V HA 0.390 4.510 4.120 -0.000 0.000 0.309 537 V C -0.864 175.411 176.094 0.300 0.000 1.114 537 V CA -0.938 61.545 62.300 0.305 0.000 0.940 537 V CB 2.320 34.265 31.823 0.204 0.000 1.021 537 V HN 0.456 nan 8.190 nan 0.000 0.426 538 V N 4.948 125.013 119.914 0.252 0.000 2.547 538 V HA 0.572 4.692 4.120 -0.000 0.000 0.299 538 V C -0.366 175.856 176.094 0.214 0.000 1.040 538 V CA -0.536 61.815 62.300 0.084 0.000 0.913 538 V CB 1.935 33.630 31.823 -0.212 0.000 0.992 538 V HN 0.656 nan 8.190 nan 0.000 0.449 539 I N 2.992 123.649 120.570 0.145 0.000 2.382 539 I HA 0.367 4.537 4.170 -0.000 0.000 0.286 539 I C 0.547 176.820 176.117 0.260 0.000 1.002 539 I CA -0.376 61.045 61.300 0.201 0.000 1.135 539 I CB 1.542 39.598 38.000 0.093 0.000 1.288 539 I HN 0.802 nan 8.210 nan 0.000 0.448 540 H N 5.976 125.270 119.070 0.374 0.000 2.366 540 H HA 0.214 4.770 4.556 0.000 0.000 0.330 540 H C 1.833 177.277 175.328 0.194 0.000 1.142 540 H CA 1.423 57.702 56.048 0.384 0.000 1.655 540 H CB 0.478 30.605 29.762 0.608 0.000 1.519 540 H HN 0.477 nan 8.280 nan 0.000 0.609 541 R N -1.307 119.441 120.500 0.414 0.000 1.981 541 R HA 0.222 4.562 4.340 -0.000 0.000 0.207 541 R C 1.759 178.125 176.300 0.110 0.000 1.375 541 R CA 0.950 57.171 56.100 0.200 0.000 1.068 541 R CB -0.286 30.204 30.300 0.317 0.000 0.890 541 R HN 0.521 nan 8.270 nan 0.000 0.481 542 G N -0.381 108.489 108.800 0.116 0.000 3.453 542 G HA2 0.251 4.211 3.960 -0.000 0.000 0.263 542 G HA3 0.251 4.211 3.960 -0.000 0.000 0.263 542 G C -0.629 174.304 174.900 0.055 0.000 1.060 542 G CA -0.224 44.916 45.100 0.067 0.000 0.793 542 G HN -0.026 nan 8.290 nan 0.000 0.532 543 L N 1.090 122.366 121.223 0.088 0.000 2.322 543 L HA 0.624 4.964 4.340 -0.000 0.000 0.281 543 L C -0.133 176.685 176.870 -0.088 0.000 1.014 543 L CA -1.090 53.721 54.840 -0.047 0.000 0.815 543 L CB 2.225 44.242 42.059 -0.070 0.000 1.247 543 L HN -0.085 nan 8.230 nan 0.000 0.421 544 V N 2.121 121.902 119.914 -0.222 0.000 2.513 544 V HA 0.644 4.764 4.120 -0.000 0.000 0.299 544 V C -1.338 174.595 176.094 -0.269 0.000 1.035 544 V CA -0.333 61.925 62.300 -0.071 0.000 0.889 544 V CB 1.395 33.285 31.823 0.111 0.000 0.988 544 V HN 0.583 nan 8.190 nan 0.000 0.440 545 Y N 2.747 123.185 120.300 0.229 0.000 2.425 545 Y HA 0.480 5.030 4.550 -0.000 0.000 0.344 545 Y C 0.447 176.493 175.900 0.244 0.000 0.969 545 Y CA -0.781 57.457 58.100 0.230 0.000 1.052 545 Y CB 1.656 40.297 38.460 0.301 0.000 1.215 545 Y HN 0.674 nan 8.280 nan 0.000 0.451 546 N N 2.460 121.370 118.700 0.349 0.000 2.416 546 N HA 0.125 4.865 4.740 -0.000 0.000 0.265 546 N C -1.716 174.001 175.510 0.345 0.000 1.195 546 N CA 0.018 53.241 53.050 0.288 0.000 0.943 546 N CB 0.332 38.931 38.487 0.187 0.000 1.115 546 N HN 0.490 nan 8.380 nan 0.000 0.481 547 Y N 1.527 121.915 120.300 0.146 0.000 2.401 547 Y HA 0.156 4.706 4.550 -0.000 0.000 0.330 547 Y C -0.982 174.924 175.900 0.011 0.000 1.071 547 Y CA -1.200 56.954 58.100 0.090 0.000 1.049 547 Y CB 1.260 39.738 38.460 0.030 0.000 1.239 547 Y HN 0.377 nan 8.280 nan 0.000 0.437 548 D N 6.582 126.644 120.400 -0.563 0.000 3.032 548 D HA 0.098 4.738 4.640 -0.000 0.000 0.241 548 D C -0.245 175.702 176.300 -0.589 0.000 1.196 548 D CA 0.114 53.805 54.000 -0.515 0.000 0.927 548 D CB -1.023 39.581 40.800 -0.326 0.000 1.129 548 D HN 0.336 nan 8.370 nan 0.000 0.458 549 F N -0.038 119.716 119.950 -0.328 0.000 2.646 549 F HA 0.200 4.727 4.527 -0.000 0.000 0.363 549 F C -1.998 173.908 175.800 0.177 0.000 1.143 549 F CA -1.918 56.132 58.000 0.084 0.000 1.356 549 F CB -0.732 38.500 39.000 0.387 0.000 1.055 549 F HN 0.012 nan 8.300 nan 0.000 0.606 550 P HA 0.050 nan 4.420 nan 0.000 0.274 550 P C -0.521 177.036 177.300 0.429 0.000 1.237 550 P CA -0.246 63.024 63.100 0.284 0.000 0.793 550 P CB 0.701 32.534 31.700 0.222 0.000 0.977 551 E N 0.526 120.879 120.200 0.256 0.000 2.418 551 E HA -0.047 4.303 4.350 -0.000 0.000 0.261 551 E C -0.155 176.631 176.600 0.310 0.000 1.070 551 E CA -0.039 56.551 56.400 0.317 0.000 0.931 551 E CB -0.041 29.770 29.700 0.186 0.000 0.954 551 E HN 0.421 nan 8.360 nan 0.000 0.439 552 Y N 0.610 121.071 120.300 0.269 0.000 2.805 552 Y HA 0.094 4.644 4.550 0.000 0.000 0.331 552 Y C 1.433 177.328 175.900 -0.008 0.000 1.241 552 Y CA 1.781 59.917 58.100 0.061 0.000 1.546 552 Y CB 0.106 38.651 38.460 0.141 0.000 1.248 552 Y HN 0.700 nan 8.280 nan 0.000 0.559 553 G N 2.891 111.304 108.800 -0.646 0.000 2.199 553 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.254 553 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.254 553 G C 0.105 174.882 174.900 -0.205 0.000 0.982 553 G CA 0.134 44.962 45.100 -0.454 0.000 0.632 553 G HN 1.277 nan 8.290 nan 0.000 0.529 557 P HA 0.197 nan 4.420 nan 0.000 0.286 557 P C 0.618 177.977 177.300 0.099 0.000 1.261 557 P CA 0.293 63.422 63.100 0.048 0.000 0.821 557 P CB 1.216 32.925 31.700 0.015 0.000 1.013 558 G N 0.916 109.800 108.800 0.141 0.000 2.353 558 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.258 558 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.258 558 G C 0.509 175.527 174.900 0.197 0.000 1.013 558 G CA 0.425 45.628 45.100 0.171 0.000 0.622 558 G HN 0.909 nan 8.290 nan 0.000 0.535 559 A N -0.179 122.761 122.820 0.201 0.000 2.257 559 A HA 0.710 5.030 4.320 -0.000 0.000 0.289 559 A C 0.185 177.975 177.584 0.343 0.000 1.095 559 A CA -0.015 52.189 52.037 0.280 0.000 0.836 559 A CB 0.413 19.567 19.000 0.256 0.000 1.111 559 A HN 1.387 nan 8.150 nan 0.000 0.497 560 F N 0.760 120.907 119.950 0.327 0.000 2.602 560 F HA 0.378 4.905 4.527 -0.000 0.000 0.367 560 F C 1.408 177.373 175.800 0.275 0.000 1.126 560 F CA 1.458 59.635 58.000 0.295 0.000 1.321 560 F CB 0.318 39.443 39.000 0.207 0.000 1.094 560 F HN 1.232 nan 8.300 nan 0.000 0.594 561 G N 4.256 112.720 108.800 -0.560 0.000 2.147 561 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.244 561 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.244 561 G C 0.715 175.527 174.900 -0.146 0.000 1.005 561 G CA 0.480 45.398 45.100 -0.303 0.000 0.713 561 G HN 0.912 nan 8.290 nan 0.000 0.515 562 D N -0.043 120.321 120.400 -0.060 0.000 2.133 562 D HA -0.118 4.522 4.640 -0.000 0.000 0.195 562 D C 1.565 177.805 176.300 -0.100 0.000 0.997 562 D CA 1.621 55.609 54.000 -0.019 0.000 0.840 562 D CB -0.165 40.691 40.800 0.094 0.000 0.947 562 D HN 1.185 nan 8.370 nan 0.000 0.452 563 I N -2.702 117.808 120.570 -0.100 0.000 2.603 563 I HA 0.485 4.655 4.170 -0.000 0.000 0.300 563 I C -1.133 174.860 176.117 -0.205 0.000 1.017 563 I CA -0.917 60.302 61.300 -0.135 0.000 1.098 563 I CB 2.244 40.225 38.000 -0.030 0.000 1.279 563 I HN -0.204 nan 8.210 nan 0.000 0.437 564 Q N 4.107 123.768 119.800 -0.231 0.000 2.495 564 Q HA 0.887 5.227 4.340 -0.000 0.000 0.287 564 Q C -1.500 174.496 176.000 -0.006 0.000 1.078 564 Q CA -1.312 54.349 55.803 -0.237 0.000 0.793 564 Q CB 2.678 31.047 28.738 -0.615 0.000 1.459 564 Q HN 0.971 nan 8.270 nan 0.000 0.422 565 A N -0.163 122.742 122.820 0.141 0.000 2.547 565 A HA 0.372 4.692 4.320 -0.000 0.000 0.298 565 A C 0.245 177.903 177.584 0.123 0.000 1.062 565 A CA -0.428 51.691 52.037 0.137 0.000 0.748 565 A CB 0.672 19.696 19.000 0.041 0.000 1.288 565 A HN 0.772 nan 8.150 nan 0.000 0.396 566 T N -0.802 113.785 114.554 0.054 0.000 2.881 566 T HA 0.206 4.556 4.350 -0.000 0.000 0.270 566 T C 0.982 175.658 174.700 -0.040 0.000 1.068 566 T CA 1.806 63.888 62.100 -0.030 0.000 1.131 566 T CB -0.132 68.673 68.868 -0.105 0.000 0.871 566 T HN 1.060 nan 8.240 nan 0.000 0.479 567 S N -1.279 114.398 115.700 -0.038 0.000 2.757 567 S HA 0.527 4.997 4.470 -0.000 0.000 0.285 567 S C -0.091 174.462 174.600 -0.079 0.000 1.196 567 S CA -0.751 57.406 58.200 -0.072 0.000 0.856 567 S CB 0.744 63.903 63.200 -0.068 0.000 1.212 567 S HN 0.051 nan 8.310 nan 0.000 0.516 568 L N 1.866 123.024 121.223 -0.110 0.000 2.395 568 L HA 0.083 4.423 4.340 -0.000 0.000 0.218 568 L C 2.061 178.906 176.870 -0.043 0.000 1.130 568 L CA 1.494 56.270 54.840 -0.106 0.000 0.826 568 L CB -2.102 39.872 42.059 -0.141 0.000 0.941 568 L HN 0.902 nan 8.230 nan 0.000 0.451 569 T N -2.035 112.499 114.554 -0.033 0.000 3.565 569 T HA 0.050 4.400 4.350 -0.000 0.000 0.248 569 T C 0.978 175.677 174.700 -0.001 0.000 1.033 569 T CA 0.397 62.490 62.100 -0.010 0.000 0.952 569 T CB -1.064 67.796 68.868 -0.014 0.000 1.072 569 T HN 0.421 nan 8.240 nan 0.000 0.609 570 S N 0.095 115.797 115.700 0.003 0.000 3.447 570 S HA -0.216 4.254 4.470 -0.000 0.000 0.371 570 S C -0.122 174.488 174.600 0.016 0.000 0.951 570 S CA 0.445 58.656 58.200 0.018 0.000 1.269 570 S CB -2.288 60.932 63.200 0.034 0.000 0.919 570 S HN 0.864 nan 8.310 nan 0.000 0.516 571 K N 1.658 122.063 120.400 0.008 0.000 2.111 571 K HA 0.300 4.620 4.320 -0.000 0.000 0.249 571 K C -0.197 176.419 176.600 0.027 0.000 1.157 571 K CA -0.133 56.156 56.287 0.005 0.000 1.048 571 K CB -0.427 32.064 32.500 -0.016 0.000 1.498 571 K HN 0.550 nan 8.250 nan 0.000 0.344 572 D N 1.607 122.029 120.400 0.037 0.000 3.187 572 D HA -0.132 4.508 4.640 -0.000 0.000 0.244 572 D C -0.853 175.509 176.300 0.103 0.000 1.114 572 D CA 0.507 54.546 54.000 0.065 0.000 0.920 572 D CB -0.895 39.949 40.800 0.074 0.000 0.970 572 D HN 0.303 nan 8.370 nan 0.000 0.418 573 L N -0.427 120.834 121.223 0.063 0.000 2.281 573 L HA 0.591 4.931 4.340 -0.000 0.000 0.285 573 L C 0.457 177.318 176.870 -0.015 0.000 1.074 573 L CA -0.701 54.164 54.840 0.042 0.000 0.817 573 L CB 0.197 42.275 42.059 0.031 0.000 1.168 573 L HN 0.302 nan 8.230 nan 0.000 0.434 574 I N 0.861 121.380 120.570 -0.086 0.000 2.354 574 I HA 0.963 5.133 4.170 -0.000 0.000 0.286 574 I C -0.079 175.909 176.117 -0.215 0.000 1.007 574 I CA -0.736 60.460 61.300 -0.173 0.000 1.167 574 I CB 1.438 39.264 38.000 -0.291 0.000 1.320 574 I HN 0.780 nan 8.210 nan 0.000 0.458 575 A N 4.191 126.907 122.820 -0.174 0.000 2.354 575 A HA 0.825 5.145 4.320 -0.000 0.000 0.321 575 A C -0.376 177.098 177.584 -0.183 0.000 1.125 575 A CA -0.705 51.220 52.037 -0.188 0.000 0.799 575 A CB 1.882 20.768 19.000 -0.190 0.000 1.293 575 A HN 0.732 nan 8.150 nan 0.000 0.452 576 S N 0.422 116.015 115.700 -0.178 0.000 2.652 576 S HA 0.447 4.917 4.470 -0.000 0.000 0.252 576 S C 0.053 174.566 174.600 -0.145 0.000 1.219 576 S CA 0.256 58.368 58.200 -0.146 0.000 1.151 576 S CB 0.132 63.266 63.200 -0.109 0.000 1.080 576 S HN 1.434 nan 8.310 nan 0.000 0.481 577 T N 0.026 114.463 114.554 -0.195 0.000 3.266 577 T HA 0.299 4.649 4.350 -0.000 0.000 0.278 577 T C -0.044 174.596 174.700 -0.101 0.000 1.010 577 T CA -0.224 61.751 62.100 -0.209 0.000 0.909 577 T CB -0.508 68.042 68.868 -0.530 0.000 1.122 577 T HN 0.481 nan 8.240 nan 0.000 0.536 578 D N 1.335 121.695 120.400 -0.067 0.000 2.720 578 D HA -0.137 4.503 4.640 -0.000 0.000 0.229 578 D C -0.313 175.981 176.300 -0.010 0.000 1.198 578 D CA 0.510 54.494 54.000 -0.027 0.000 0.639 578 D CB -1.492 39.312 40.800 0.006 0.000 1.003 578 D HN 0.691 nan 8.370 nan 0.000 0.411 579 I N 0.353 120.898 120.570 -0.042 0.000 2.588 579 I HA 0.090 4.260 4.170 -0.000 0.000 0.283 579 I C 0.985 177.111 176.117 0.016 0.000 1.119 579 I CA 0.323 61.620 61.300 -0.005 0.000 1.419 579 I CB 0.666 38.608 38.000 -0.096 0.000 1.394 579 I HN -0.101 nan 8.210 nan 0.000 0.562 580 R N 6.490 127.041 120.500 0.086 0.000 2.422 580 R HA 0.444 4.784 4.340 -0.000 0.000 0.307 580 R C -1.277 175.107 176.300 0.141 0.000 1.004 580 R CA -0.917 55.234 56.100 0.084 0.000 0.882 580 R CB 1.401 31.742 30.300 0.070 0.000 1.164 580 R HN 0.395 nan 8.270 nan 0.000 0.489 581 L N 4.454 125.763 121.223 0.145 0.000 2.397 581 L HA 0.397 4.737 4.340 -0.000 0.000 0.271 581 L C 0.208 177.240 176.870 0.270 0.000 1.148 581 L CA 0.113 55.092 54.840 0.231 0.000 0.825 581 L CB 0.187 42.405 42.059 0.264 0.000 1.117 581 L HN 0.540 nan 8.230 nan 0.000 0.456 582 L N 2.373 123.658 121.223 0.103 0.000 2.362 582 L HA 0.431 4.771 4.340 -0.000 0.000 0.271 582 L C 0.219 176.700 176.870 -0.648 0.000 1.002 582 L CA -1.011 53.742 54.840 -0.144 0.000 0.818 582 L CB 1.994 44.007 42.059 -0.077 0.000 1.298 582 L HN 0.518 nan 8.230 nan 0.000 0.420 583 K N 3.303 123.125 120.400 -0.962 0.000 2.419 583 K HA 0.138 4.458 4.320 -0.000 0.000 0.282 583 K C -2.253 174.038 176.600 -0.516 0.000 1.056 583 K CA -1.227 54.383 56.287 -1.127 0.000 1.035 583 K CB -0.173 31.924 32.500 -0.672 0.000 0.921 583 K HN 0.273 nan 8.250 nan 0.000 0.472 584 P HA 0.059 nan 4.420 nan 0.000 0.280 584 P C -0.634 176.575 177.300 -0.151 0.000 1.244 584 P CA -0.308 62.687 63.100 -0.175 0.000 0.784 584 P CB 1.237 32.888 31.700 -0.082 0.000 0.913 585 S N 1.321 116.992 115.700 -0.048 0.000 2.603 585 S HA 0.434 4.904 4.470 -0.000 0.000 0.268 585 S C 0.605 175.262 174.600 0.095 0.000 1.317 585 S CA -0.396 57.795 58.200 -0.015 0.000 1.012 585 S CB 0.551 63.749 63.200 -0.004 0.000 0.926 585 S HN 0.573 nan 8.310 nan 0.000 0.539 586 A N 1.723 124.611 122.820 0.114 0.000 3.094 586 A HA 0.380 4.700 4.320 -0.000 0.000 0.288 586 A C 0.823 178.497 177.584 0.151 0.000 1.519 586 A CA -0.534 51.672 52.037 0.283 0.000 1.227 586 A CB -0.613 18.555 19.000 0.280 0.000 1.175 586 A HN 0.858 nan 8.150 nan 0.000 0.568 587 K N -0.699 119.762 120.400 0.100 0.000 2.538 587 K HA 0.270 4.590 4.320 -0.000 0.000 0.215 587 K C -0.213 176.353 176.600 -0.058 0.000 1.345 587 K CA -0.203 56.086 56.287 0.003 0.000 0.985 587 K CB 0.557 33.055 32.500 -0.003 0.000 1.116 587 K HN 0.346 nan 8.250 nan 0.000 0.582 588 N N 0.248 118.943 118.700 -0.009 0.000 2.591 588 N HA 0.189 4.929 4.740 -0.000 0.000 0.263 588 N C -1.584 173.941 175.510 0.025 0.000 1.308 588 N CA -0.645 52.376 53.050 -0.049 0.000 0.837 588 N CB 2.631 41.114 38.487 -0.007 0.000 1.548 588 N HN -0.136 nan 8.380 nan 0.000 0.493 589 V N 2.007 121.905 119.914 -0.027 0.000 2.276 589 V HA 0.131 4.251 4.120 -0.000 0.000 0.249 589 V C -0.595 175.611 176.094 0.187 0.000 1.160 589 V CA 0.059 62.408 62.300 0.081 0.000 1.042 589 V CB -1.146 30.665 31.823 -0.020 0.000 1.224 589 V HN 0.570 nan 8.190 nan 0.000 0.496 590 H N 2.684 121.823 119.070 0.114 0.000 2.744 590 H HA 0.522 5.078 4.556 0.000 0.000 0.339 590 H C -0.851 174.536 175.328 0.097 0.000 1.004 590 H CA -0.489 55.612 56.048 0.088 0.000 1.257 590 H CB 1.931 31.732 29.762 0.064 0.000 1.552 590 H HN 0.354 nan 8.280 nan 0.000 0.522 591 V N 8.118 127.917 119.914 -0.192 0.000 2.368 591 V HA 0.484 4.604 4.120 -0.000 0.000 0.266 591 V C -2.477 173.571 176.094 -0.077 0.000 1.045 591 V CA -1.522 60.735 62.300 -0.073 0.000 0.899 591 V CB 0.569 32.387 31.823 -0.009 0.000 1.006 591 V HN 0.737 nan 8.190 nan 0.000 0.470 592 P HA 0.553 nan 4.420 nan 0.000 0.282 592 P C -1.688 175.723 177.300 0.184 0.000 1.259 592 P CA -0.237 62.898 63.100 0.058 0.000 0.826 592 P CB 0.976 32.691 31.700 0.026 0.000 1.064 593 Y N -2.897 117.390 120.300 -0.021 0.000 2.522 593 Y HA 0.512 5.062 4.550 0.000 0.000 0.326 593 Y C -0.682 175.218 175.900 -0.000 0.000 1.198 593 Y CA -1.023 57.071 58.100 -0.010 0.000 1.112 593 Y CB -0.050 38.398 38.460 -0.020 0.000 1.342 593 Y HN 0.566 nan 8.280 nan 0.000 0.460 594 T N 0.210 114.791 114.554 0.044 0.000 2.880 594 T HA 0.743 5.093 4.350 -0.000 0.000 0.279 594 T C -0.593 174.210 174.700 0.172 0.000 0.990 594 T CA -0.192 61.907 62.100 -0.003 0.000 0.938 594 T CB 2.245 71.119 68.868 0.010 0.000 1.206 594 T HN 1.047 nan 8.240 nan 0.000 0.573 595 Q N -1.292 118.581 119.800 0.121 0.000 2.776 595 Q HA 0.542 4.882 4.340 -0.000 0.000 0.289 595 Q C -1.619 174.454 176.000 0.122 0.000 0.912 595 Q CA -0.996 54.902 55.803 0.159 0.000 0.789 595 Q CB 1.503 30.405 28.738 0.273 0.000 1.498 595 Q HN 1.132 nan 8.270 nan 0.000 0.408 596 A N 0.967 123.858 122.820 0.118 0.000 2.280 596 A HA 0.697 5.017 4.320 -0.000 0.000 0.268 596 A C -0.278 177.425 177.584 0.198 0.000 1.111 596 A CA -0.071 52.041 52.037 0.125 0.000 0.814 596 A CB 0.568 19.627 19.000 0.099 0.000 1.093 596 A HN 0.664 nan 8.150 nan 0.000 0.498 597 S N -0.367 115.435 115.700 0.169 0.000 2.645 597 S HA 0.336 4.806 4.470 -0.000 0.000 0.266 597 S C 0.528 175.269 174.600 0.234 0.000 1.258 597 S CA -0.300 57.998 58.200 0.162 0.000 0.990 597 S CB 1.070 64.332 63.200 0.102 0.000 0.967 597 S HN 0.760 nan 8.310 nan 0.000 0.556 598 S N 1.036 116.820 115.700 0.140 0.000 2.498 598 S HA 0.267 4.737 4.470 -0.000 0.000 0.314 598 S C 1.596 176.323 174.600 0.213 0.000 1.141 598 S CA -0.407 57.873 58.200 0.133 0.000 1.087 598 S CB -0.835 62.291 63.200 -0.124 0.000 1.178 598 S HN 0.833 nan 8.310 nan 0.000 0.533 599 G N 4.692 113.660 108.800 0.280 0.000 2.550 599 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.222 599 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.222 599 G C 0.988 176.105 174.900 0.362 0.000 1.113 599 G CA 0.921 46.190 45.100 0.281 0.000 0.748 599 G HN 0.695 nan 8.290 nan 0.000 0.585 600 F N 1.231 121.265 119.950 0.140 0.000 2.009 600 F HA 0.186 4.713 4.527 0.000 0.000 0.293 600 F C 1.689 177.654 175.800 0.274 0.000 1.156 600 F CA 0.487 58.602 58.000 0.192 0.000 1.168 600 F CB -0.933 38.129 39.000 0.104 0.000 0.981 600 F HN 0.199 nan 8.300 nan 0.000 0.475 604 K N 0.989 121.222 120.400 -0.279 0.000 2.001 604 K HA -0.249 4.071 4.320 -0.000 0.000 0.214 604 K C 1.298 177.531 176.600 -0.612 0.000 1.050 604 K CA 2.056 57.952 56.287 -0.652 0.000 0.934 604 K CB -0.697 31.490 32.500 -0.522 0.000 0.718 604 K HN 0.103 nan 8.250 nan 0.000 0.443 605 N N 0.916 119.388 118.700 -0.381 0.000 2.651 605 N HA -0.155 4.585 4.740 -0.000 0.000 0.193 605 N C 0.586 175.909 175.510 -0.312 0.000 1.149 605 N CA 0.886 53.756 53.050 -0.300 0.000 0.933 605 N CB 0.026 38.396 38.487 -0.196 0.000 0.974 605 N HN 0.112 nan 8.380 nan 0.000 0.448 606 N N -1.139 117.295 118.700 -0.443 0.000 2.142 606 N HA 0.050 4.790 4.740 -0.000 0.000 0.233 606 N C -1.240 173.893 175.510 -0.628 0.000 1.335 606 N CA -0.044 52.771 53.050 -0.392 0.000 0.837 606 N CB 0.292 38.648 38.487 -0.219 0.000 1.238 606 N HN 0.147 nan 8.380 nan 0.000 0.501 607 S N -0.832 114.205 115.700 -1.106 0.000 2.558 607 S HA 0.475 4.945 4.470 -0.000 0.000 0.288 607 S C 1.125 175.368 174.600 -0.594 0.000 1.318 607 S CA -0.128 57.256 58.200 -1.359 0.000 1.056 607 S CB 1.045 63.014 63.200 -2.052 0.000 0.853 607 S HN 0.236 nan 8.310 nan 0.000 0.505 608 G N 1.862 110.478 108.800 -0.306 0.000 2.486 608 G HA2 0.315 4.275 3.960 -0.000 0.000 0.272 608 G HA3 0.315 4.275 3.960 -0.000 0.000 0.272 608 G C -0.102 174.867 174.900 0.116 0.000 1.426 608 G CA -0.931 44.156 45.100 -0.022 0.000 1.058 608 G HN 0.703 nan 8.290 nan 0.000 0.531 609 R N 1.168 121.740 120.500 0.120 0.000 2.347 609 R HA 0.208 4.548 4.340 -0.000 0.000 0.304 609 R C -1.907 174.474 176.300 0.135 0.000 1.072 609 R CA -1.439 54.731 56.100 0.116 0.000 0.980 609 R CB 0.754 31.084 30.300 0.049 0.000 0.986 609 R HN 0.328 nan 8.270 nan 0.000 0.448 610 P HA -0.120 nan 4.420 nan 0.000 0.270 610 P C 0.967 178.189 177.300 -0.131 0.000 1.216 610 P CA -0.018 62.924 63.100 -0.264 0.000 0.788 610 P CB 0.756 32.273 31.700 -0.305 0.000 0.883 611 L N 0.645 121.768 121.223 -0.167 0.000 2.141 611 L HA -0.192 4.148 4.340 -0.000 0.000 0.209 611 L C 2.543 179.357 176.870 -0.094 0.000 1.094 611 L CA 1.292 56.074 54.840 -0.096 0.000 0.763 611 L CB -0.545 41.459 42.059 -0.093 0.000 0.908 611 L HN 0.405 nan 8.230 nan 0.000 0.437 612 Q N -0.241 119.503 119.800 -0.093 0.000 2.368 612 Q HA -0.242 4.098 4.340 -0.000 0.000 0.210 612 Q C 0.830 176.797 176.000 -0.054 0.000 0.982 612 Q CA 1.394 57.161 55.803 -0.060 0.000 0.884 612 Q CB -0.270 28.438 28.738 -0.050 0.000 0.933 612 Q HN 0.659 nan 8.270 nan 0.000 0.460 613 E N 0.244 120.408 120.200 -0.060 0.000 2.562 613 E HA 0.033 4.383 4.350 -0.000 0.000 0.214 613 E C 1.046 177.616 176.600 -0.050 0.000 0.979 613 E CA 0.756 57.126 56.400 -0.051 0.000 1.002 613 E CB 0.853 30.527 29.700 -0.043 0.000 1.048 613 E HN 0.470 nan 8.360 nan 0.000 0.488 614 T N -2.596 111.927 114.554 -0.051 0.000 2.986 614 T HA 0.342 4.692 4.350 -0.000 0.000 0.264 614 T C 0.930 175.594 174.700 -0.059 0.000 0.964 614 T CA 0.015 62.087 62.100 -0.048 0.000 0.895 614 T CB 0.366 69.220 68.868 -0.023 0.000 1.163 614 T HN 0.062 nan 8.240 nan 0.000 0.517 615 A N 3.325 126.105 122.820 -0.066 0.000 2.573 615 A HA 0.378 4.698 4.320 -0.000 0.000 0.250 615 A C -1.153 176.408 177.584 -0.039 0.000 1.049 615 A CA -0.756 51.246 52.037 -0.059 0.000 0.767 615 A CB -0.085 18.875 19.000 -0.067 0.000 0.965 615 A HN 0.299 nan 8.150 nan 0.000 0.514 616 P HA 0.022 nan 4.420 nan 0.000 0.239 616 P C 0.014 176.996 177.300 -0.528 0.000 1.184 616 P CA 1.240 64.219 63.100 -0.202 0.000 0.760 616 P CB -0.024 31.640 31.700 -0.060 0.000 0.884 617 F N -2.154 117.745 119.950 -0.084 0.000 2.856 617 F HA 0.369 4.896 4.527 0.000 0.000 0.333 617 F C 1.316 177.093 175.800 -0.037 0.000 1.200 617 F CA -0.184 57.734 58.000 -0.136 0.000 1.128 617 F CB 0.493 39.307 39.000 -0.309 0.000 1.172 617 F HN -0.081 nan 8.300 nan 0.000 0.511 618 G N 0.723 109.569 108.800 0.078 0.000 2.160 618 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.251 618 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.251 618 G C 0.199 175.153 174.900 0.091 0.000 1.008 618 G CA -0.003 45.136 45.100 0.065 0.000 0.724 618 G HN 0.360 nan 8.290 nan 0.000 0.514 619 c N 0.170 118.835 118.600 0.108 0.000 2.676 619 c HA 0.426 4.996 4.570 -0.000 0.000 0.416 619 c C 1.179 175.300 174.090 0.052 0.000 1.299 619 c CA 0.015 56.404 56.329 0.101 0.000 2.048 619 c CB 0.639 43.209 42.510 0.101 0.000 2.713 619 c HN 0.490 nan 8.230 nan 0.000 0.624 620 K N 2.448 122.884 120.400 0.059 0.000 2.526 620 K HA 0.272 4.592 4.320 -0.000 0.000 0.214 620 K C -0.692 175.940 176.600 0.053 0.000 1.088 620 K CA -0.439 55.873 56.287 0.042 0.000 1.058 620 K CB 0.125 32.650 32.500 0.042 0.000 1.653 620 K HN 0.463 nan 8.250 nan 0.000 0.521 621 I N 2.431 123.028 120.570 0.045 0.000 3.089 621 I HA -0.225 3.945 4.170 -0.000 0.000 0.321 621 I C 0.543 176.713 176.117 0.088 0.000 1.222 621 I CA 0.951 62.304 61.300 0.089 0.000 1.452 621 I CB -0.063 37.967 38.000 0.051 0.000 1.321 621 I HN 0.490 nan 8.210 nan 0.000 0.539 622 A N 6.035 128.924 122.820 0.117 0.000 2.401 622 A HA 0.871 5.191 4.320 -0.000 0.000 0.310 622 A C -1.068 176.558 177.584 0.069 0.000 1.075 622 A CA -0.564 51.518 52.037 0.075 0.000 0.746 622 A CB 1.807 20.845 19.000 0.062 0.000 1.277 622 A HN 0.355 nan 8.150 nan 0.000 0.425 623 V N 2.836 122.778 119.914 0.046 0.000 2.398 623 V HA 0.429 4.549 4.120 -0.000 0.000 0.282 623 V C -0.155 175.953 176.094 0.023 0.000 1.014 623 V CA -0.295 62.026 62.300 0.034 0.000 0.838 623 V CB 0.862 32.709 31.823 0.040 0.000 1.018 623 V HN 1.027 nan 8.190 nan 0.000 0.432 624 N N 3.535 122.244 118.700 0.014 0.000 2.584 624 N HA 0.217 4.957 4.740 -0.000 0.000 0.318 624 N C -2.455 173.054 175.510 -0.001 0.000 0.669 624 N CA 0.207 53.262 53.050 0.008 0.000 1.248 624 N CB 0.004 38.497 38.487 0.011 0.000 1.659 624 N HN 0.458 nan 8.380 nan 0.000 1.460 625 P HA 0.157 nan 4.420 nan 0.000 0.271 625 P C -0.575 176.716 177.300 -0.016 0.000 1.220 625 P CA -0.164 62.931 63.100 -0.008 0.000 0.768 625 P CB 0.591 32.293 31.700 0.004 0.000 0.848 626 L N 5.528 126.716 121.223 -0.058 0.000 2.360 626 L HA 0.305 4.645 4.340 -0.000 0.000 0.276 626 L C 0.390 177.204 176.870 -0.093 0.000 1.121 626 L CA 0.315 55.091 54.840 -0.106 0.000 0.845 626 L CB -0.262 41.653 42.059 -0.239 0.000 1.143 626 L HN 0.660 nan 8.230 nan 0.000 0.452 627 R N 3.933 124.460 120.500 0.044 0.000 2.692 627 R HA 0.716 5.056 4.340 -0.000 0.000 0.269 627 R C -1.674 174.807 176.300 0.302 0.000 1.030 627 R CA -0.921 55.260 56.100 0.135 0.000 0.882 627 R CB 1.363 31.709 30.300 0.077 0.000 1.250 627 R HN 0.489 nan 8.270 nan 0.000 0.465 628 A N 2.018 125.008 122.820 0.283 0.000 2.786 628 A HA 0.431 4.751 4.320 -0.000 0.000 0.346 628 A C -0.318 177.359 177.584 0.154 0.000 1.265 628 A CA -0.691 51.481 52.037 0.224 0.000 0.858 628 A CB 0.664 19.791 19.000 0.212 0.000 1.118 628 A HN 0.397 nan 8.150 nan 0.000 0.482 629 V N 2.620 122.605 119.914 0.118 0.000 2.599 629 V HA 0.071 4.191 4.120 -0.000 0.000 0.300 629 V C 0.430 176.581 176.094 0.095 0.000 1.034 629 V CA 0.465 62.819 62.300 0.091 0.000 1.115 629 V CB 0.086 31.950 31.823 0.068 0.000 0.934 629 V HN 0.940 nan 8.190 nan 0.000 0.485 630 D N 1.738 122.191 120.400 0.089 0.000 2.772 630 D HA -0.170 4.470 4.640 -0.000 0.000 0.233 630 D C 0.484 176.856 176.300 0.121 0.000 1.143 630 D CA 0.588 54.641 54.000 0.088 0.000 0.700 630 D CB -1.253 39.590 40.800 0.071 0.000 1.076 630 D HN 0.657 nan 8.370 nan 0.000 0.430 631 c N 0.154 118.856 118.600 0.170 0.000 2.758 631 c HA 0.335 4.905 4.570 -0.000 0.000 0.371 631 c C 1.313 175.535 174.090 0.220 0.000 1.342 631 c CA -0.122 56.353 56.329 0.243 0.000 2.257 631 c CB 0.830 43.565 42.510 0.376 0.000 2.621 631 c HN 0.370 nan 8.230 nan 0.000 0.730 632 S N 0.820 116.674 115.700 0.256 0.000 2.721 632 S HA 0.619 5.089 4.470 -0.000 0.000 0.264 632 S C -1.094 173.564 174.600 0.097 0.000 1.161 632 S CA -0.437 57.852 58.200 0.149 0.000 1.113 632 S CB 0.456 63.737 63.200 0.135 0.000 1.079 632 S HN 0.740 nan 8.310 nan 0.000 0.479 633 Y N -0.716 119.382 120.300 -0.336 0.000 2.604 633 Y HA 0.702 5.252 4.550 0.000 0.000 0.331 633 Y C 0.109 175.829 175.900 -0.299 0.000 1.158 633 Y CA -0.548 57.246 58.100 -0.510 0.000 1.056 633 Y CB 0.225 37.929 38.460 -1.259 0.000 1.330 633 Y HN 0.898 nan 8.280 nan 0.000 0.457 634 G N 2.160 110.824 108.800 -0.227 0.000 2.907 634 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.242 634 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.242 634 G C -1.412 173.344 174.900 -0.238 0.000 1.448 634 G CA -0.068 44.901 45.100 -0.219 0.000 0.911 634 G HN 0.967 nan 8.290 nan 0.000 0.553 635 N N -1.100 117.488 118.700 -0.188 0.000 2.370 635 N HA 0.682 5.422 4.740 -0.000 0.000 0.303 635 N C -0.023 175.371 175.510 -0.194 0.000 1.103 635 N CA -0.617 52.320 53.050 -0.188 0.000 0.848 635 N CB 1.434 39.831 38.487 -0.150 0.000 1.235 635 N HN 0.597 nan 8.380 nan 0.000 0.496 636 I N 1.901 122.348 120.570 -0.206 0.000 2.330 636 I HA 0.357 4.527 4.170 -0.000 0.000 0.289 636 I C -2.239 173.776 176.117 -0.169 0.000 1.001 636 I CA -2.113 59.078 61.300 -0.182 0.000 1.193 636 I CB 1.623 39.512 38.000 -0.185 0.000 1.345 636 I HN 0.206 nan 8.210 nan 0.000 0.461 637 P HA 0.331 nan 4.420 nan 0.000 0.271 637 P C -0.732 176.493 177.300 -0.125 0.000 1.216 637 P CA 0.068 63.092 63.100 -0.127 0.000 0.776 637 P CB 0.712 32.352 31.700 -0.100 0.000 0.881 638 I N 1.134 121.626 120.570 -0.131 0.000 2.571 638 I HA 0.206 4.376 4.170 -0.000 0.000 0.289 638 I C -0.507 175.538 176.117 -0.120 0.000 1.115 638 I CA -0.486 60.743 61.300 -0.119 0.000 1.045 638 I CB 2.224 40.153 38.000 -0.119 0.000 1.238 638 I HN 0.108 nan 8.210 nan 0.000 0.424 639 S N 6.704 122.341 115.700 -0.106 0.000 2.433 639 S HA 0.652 5.122 4.470 -0.000 0.000 0.310 639 S C -0.347 174.201 174.600 -0.087 0.000 1.097 639 S CA -0.497 57.638 58.200 -0.109 0.000 1.103 639 S CB 1.089 64.228 63.200 -0.103 0.000 0.992 639 S HN 0.335 nan 8.310 nan 0.000 0.469 640 I N 2.247 122.776 120.570 -0.069 0.000 2.404 640 I HA 0.317 4.487 4.170 -0.000 0.000 0.293 640 I C -0.611 175.476 176.117 -0.049 0.000 0.992 640 I CA -0.666 60.599 61.300 -0.058 0.000 1.149 640 I CB 1.784 39.763 38.000 -0.035 0.000 1.315 640 I HN 0.438 nan 8.210 nan 0.000 0.446 641 D N 6.770 127.138 120.400 -0.054 0.000 2.485 641 D HA 0.419 5.059 4.640 -0.000 0.000 0.221 641 D C -0.520 175.790 176.300 0.017 0.000 1.112 641 D CA -0.309 53.680 54.000 -0.019 0.000 0.911 641 D CB 0.401 41.189 40.800 -0.021 0.000 1.019 641 D HN 0.219 nan 8.370 nan 0.000 0.516 642 I N 4.229 124.865 120.570 0.109 0.000 2.416 642 I HA 0.256 4.426 4.170 -0.000 0.000 0.288 642 I C -1.944 174.396 176.117 0.371 0.000 1.051 642 I CA -2.060 59.349 61.300 0.182 0.000 1.375 642 I CB 0.750 38.929 38.000 0.298 0.000 1.407 642 I HN 0.219 nan 8.210 nan 0.000 0.516 643 P HA 0.036 nan 4.420 nan 0.000 0.262 643 P C 0.369 177.926 177.300 0.428 0.000 1.199 643 P CA 0.088 63.356 63.100 0.280 0.000 0.763 643 P CB 0.361 32.197 31.700 0.226 0.000 0.790 644 N N 3.232 122.132 118.700 0.333 0.000 2.258 644 N HA -0.194 4.546 4.740 -0.000 0.000 0.187 644 N C 1.464 177.204 175.510 0.384 0.000 1.012 644 N CA 1.336 54.581 53.050 0.325 0.000 0.870 644 N CB -0.311 38.209 38.487 0.055 0.000 0.977 644 N HN 0.420 nan 8.380 nan 0.000 0.434 645 A N -0.112 122.853 122.820 0.241 0.000 2.259 645 A HA 0.179 4.499 4.320 -0.000 0.000 0.212 645 A C 1.721 179.371 177.584 0.110 0.000 1.178 645 A CA 1.331 53.461 52.037 0.155 0.000 0.734 645 A CB -0.133 18.930 19.000 0.104 0.000 0.774 645 A HN 0.297 nan 8.150 nan 0.000 0.481 646 A N -1.628 121.256 122.820 0.107 0.000 2.551 646 A HA 0.565 4.885 4.320 -0.000 0.000 0.252 646 A C -0.013 177.468 177.584 -0.171 0.000 1.199 646 A CA -0.453 51.531 52.037 -0.087 0.000 0.972 646 A CB 0.155 19.022 19.000 -0.221 0.000 1.153 646 A HN 0.264 nan 8.150 nan 0.000 0.559 647 F N 0.767 120.733 119.950 0.025 0.000 2.410 647 F HA 0.475 5.002 4.527 0.000 0.000 0.348 647 F C 0.336 176.217 175.800 0.136 0.000 1.106 647 F CA -0.309 57.711 58.000 0.033 0.000 1.163 647 F CB 0.899 39.822 39.000 -0.128 0.000 1.129 647 F HN -0.004 nan 8.300 nan 0.000 0.516 648 I N 4.410 125.148 120.570 0.281 0.000 2.321 648 I HA 0.343 4.513 4.170 -0.000 0.000 0.291 648 I C -0.449 175.823 176.117 0.257 0.000 0.998 648 I CA -0.944 60.484 61.300 0.214 0.000 1.227 648 I CB 1.233 39.289 38.000 0.095 0.000 1.368 648 I HN 0.549 nan 8.210 nan 0.000 0.466 649 R N 3.691 124.268 120.500 0.129 0.000 2.198 649 R HA 0.349 4.689 4.340 -0.000 0.000 0.339 649 R C 0.255 176.492 176.300 -0.105 0.000 1.020 649 R CA -0.651 55.359 56.100 -0.151 0.000 0.864 649 R CB 0.128 30.056 30.300 -0.620 0.000 1.105 649 R HN 0.570 nan 8.270 nan 0.000 0.463 650 T N 1.377 115.890 114.554 -0.068 0.000 3.390 650 T HA -0.215 4.135 4.350 -0.000 0.000 0.385 650 T C 0.541 175.218 174.700 -0.038 0.000 0.768 650 T CA 1.690 63.762 62.100 -0.047 0.000 1.948 650 T CB -0.928 67.901 68.868 -0.065 0.000 1.746 650 T HN 0.731 nan 8.240 nan 0.000 0.630 651 S N -0.382 115.306 115.700 -0.020 0.000 2.593 651 S HA 0.163 4.633 4.470 -0.000 0.000 0.236 651 S C 0.193 174.792 174.600 -0.001 0.000 0.991 651 S CA -0.482 57.709 58.200 -0.014 0.000 0.963 651 S CB 0.350 63.543 63.200 -0.011 0.000 0.865 651 S HN 0.437 nan 8.310 nan 0.000 0.488 652 D N 1.898 122.299 120.400 0.001 0.000 2.344 652 D HA 0.388 5.028 4.640 -0.000 0.000 0.253 652 D C 1.059 177.362 176.300 0.005 0.000 1.255 652 D CA -0.024 53.979 54.000 0.005 0.000 0.894 652 D CB 1.272 42.075 40.800 0.005 0.000 1.067 652 D HN 0.228 nan 8.370 nan 0.000 0.492 653 A N 5.896 128.720 122.820 0.008 0.000 1.986 653 A HA -0.073 4.247 4.320 -0.000 0.000 0.220 653 A C -1.183 176.408 177.584 0.013 0.000 1.171 653 A CA 0.604 52.646 52.037 0.008 0.000 0.640 653 A CB -1.225 17.781 19.000 0.010 0.000 0.811 653 A HN 0.474 nan 8.150 nan 0.000 0.451 654 P HA 0.193 nan 4.420 nan 0.000 0.271 654 P C -0.465 176.847 177.300 0.020 0.000 1.233 654 P CA -0.035 63.081 63.100 0.027 0.000 0.764 654 P CB 0.739 32.462 31.700 0.038 0.000 0.825 655 L N 4.659 125.896 121.223 0.022 0.000 2.380 655 L HA 0.203 4.543 4.340 -0.000 0.000 0.273 655 L C 0.230 177.119 176.870 0.031 0.000 1.138 655 L CA -0.150 54.701 54.840 0.019 0.000 0.832 655 L CB 1.238 43.308 42.059 0.017 0.000 1.124 655 L HN 0.170 nan 8.230 nan 0.000 0.454 656 V N 3.258 123.183 119.914 0.019 0.000 2.495 656 V HA 0.660 4.780 4.120 -0.000 0.000 0.298 656 V C -0.047 176.064 176.094 0.028 0.000 1.031 656 V CA -0.521 61.792 62.300 0.022 0.000 0.871 656 V CB 1.857 33.657 31.823 -0.038 0.000 0.988 656 V HN 0.956 nan 8.190 nan 0.000 0.432 657 S N 1.384 117.122 115.700 0.064 0.000 2.550 657 S HA 0.648 5.118 4.470 -0.000 0.000 0.270 657 S C -0.131 174.518 174.600 0.081 0.000 1.145 657 S CA -0.005 58.228 58.200 0.055 0.000 0.852 657 S CB 1.820 65.046 63.200 0.043 0.000 1.119 657 S HN 2.263 nan 8.310 nan 0.000 0.465 658 T N -1.456 113.132 114.554 0.056 0.000 3.860 658 T HA -0.146 4.204 4.350 -0.000 0.000 0.378 658 T C -0.113 174.639 174.700 0.088 0.000 0.761 658 T CA 0.284 62.418 62.100 0.058 0.000 2.004 658 T CB -2.923 65.975 68.868 0.050 0.000 1.778 658 T HN 1.492 nan 8.240 nan 0.000 0.801 659 V N 1.647 121.605 119.914 0.073 0.000 2.607 659 V HA 0.686 4.806 4.120 -0.000 0.000 0.289 659 V C 0.733 176.859 176.094 0.054 0.000 1.053 659 V CA -0.368 61.985 62.300 0.088 0.000 0.996 659 V CB 1.643 33.486 31.823 0.034 0.000 0.995 659 V HN 0.720 nan 8.190 nan 0.000 0.476 660 K N 1.791 122.229 120.400 0.063 0.000 2.482 660 K HA 0.661 4.981 4.320 -0.000 0.000 0.257 660 K C -1.589 175.024 176.600 0.022 0.000 0.969 660 K CA -0.549 55.754 56.287 0.026 0.000 0.842 660 K CB 2.358 34.870 32.500 0.020 0.000 1.359 660 K HN 0.695 nan 8.250 nan 0.000 0.441 661 c N 1.513 120.106 118.600 -0.012 0.000 2.369 661 c HA 0.463 5.033 4.570 -0.000 0.000 0.322 661 c C -1.112 172.963 174.090 -0.025 0.000 1.258 661 c CA -0.216 56.098 56.329 -0.024 0.000 1.487 661 c CB 0.205 42.666 42.510 -0.081 0.000 2.165 661 c HN 0.755 nan 8.230 nan 0.000 0.483 662 E N 3.568 123.771 120.200 0.005 0.000 2.234 662 E HA 0.484 4.834 4.350 -0.000 0.000 0.266 662 E C -1.300 175.332 176.600 0.054 0.000 0.877 662 E CA -0.557 55.854 56.400 0.017 0.000 0.758 662 E CB 2.275 31.989 29.700 0.024 0.000 1.170 662 E HN 0.498 nan 8.360 nan 0.000 0.415 663 V N 3.101 123.058 119.914 0.071 0.000 2.350 663 V HA 0.034 4.154 4.120 -0.000 0.000 0.276 663 V C 1.154 177.325 176.094 0.129 0.000 1.028 663 V CA 0.005 62.397 62.300 0.154 0.000 0.860 663 V CB 1.103 33.053 31.823 0.213 0.000 0.990 663 V HN 0.879 nan 8.190 nan 0.000 0.453 664 S N 4.104 119.880 115.700 0.128 0.000 2.317 664 S HA 0.125 4.595 4.470 -0.000 0.000 0.212 664 S C 0.493 175.147 174.600 0.090 0.000 1.030 664 S CA 0.247 58.500 58.200 0.088 0.000 0.970 664 S CB 0.060 63.301 63.200 0.068 0.000 0.928 664 S HN 0.745 nan 8.310 nan 0.000 0.451 665 E N -1.033 119.224 120.200 0.094 0.000 2.378 665 E HA 0.673 5.023 4.350 -0.000 0.000 0.265 665 E C -1.675 174.968 176.600 0.073 0.000 0.932 665 E CA -0.932 55.512 56.400 0.074 0.000 0.795 665 E CB 2.307 32.034 29.700 0.046 0.000 1.296 665 E HN 0.433 nan 8.360 nan 0.000 0.438 666 c N 0.973 119.610 118.600 0.061 0.000 3.181 666 c HA 0.579 5.149 4.570 -0.000 0.000 0.362 666 c C -1.318 172.803 174.090 0.052 0.000 1.125 666 c CA -0.217 56.139 56.329 0.044 0.000 1.265 666 c CB 0.889 43.505 42.510 0.177 0.000 1.632 666 c HN 0.860 nan 8.230 nan 0.000 0.525 667 T N 1.816 116.374 114.554 0.006 0.000 2.876 667 T HA 0.675 5.025 4.350 -0.000 0.000 0.289 667 T C -0.848 173.873 174.700 0.034 0.000 1.014 667 T CA -0.473 61.633 62.100 0.009 0.000 0.986 667 T CB 1.243 70.059 68.868 -0.086 0.000 1.021 667 T HN 1.185 nan 8.240 nan 0.000 0.458 668 Y N 1.831 122.143 120.300 0.020 0.000 2.336 668 Y HA 0.487 5.037 4.550 -0.000 0.000 0.335 668 Y C 0.829 176.734 175.900 0.008 0.000 1.046 668 Y CA -0.250 57.868 58.100 0.030 0.000 1.198 668 Y CB 0.527 39.017 38.460 0.049 0.000 1.182 668 Y HN 1.350 nan 8.280 nan 0.000 0.502 669 S N 0.966 116.688 115.700 0.036 0.000 3.706 669 S HA -0.163 4.307 4.470 -0.000 0.000 0.363 669 S C -0.196 174.310 174.600 -0.156 0.000 0.999 669 S CA 0.145 58.320 58.200 -0.041 0.000 1.143 669 S CB -2.241 60.983 63.200 0.040 0.000 0.902 669 S HN 1.803 nan 8.310 nan 0.000 0.476 670 A N 0.236 122.948 122.820 -0.179 0.000 2.312 670 A HA 0.806 5.126 4.320 -0.000 0.000 0.310 670 A C 0.913 178.340 177.584 -0.263 0.000 1.139 670 A CA -0.081 51.833 52.037 -0.205 0.000 0.886 670 A CB 0.370 19.257 19.000 -0.188 0.000 1.350 670 A HN 0.265 nan 8.150 nan 0.000 0.479 671 D N -0.738 119.493 120.400 -0.281 0.000 2.077 671 D HA -0.007 4.633 4.640 -0.000 0.000 0.193 671 D C -0.390 175.422 176.300 -0.813 0.000 0.989 671 D CA 2.245 55.960 54.000 -0.474 0.000 0.831 671 D CB -0.136 40.503 40.800 -0.269 0.000 0.979 671 D HN 0.346 nan 8.370 nan 0.000 0.449 672 F N -1.249 118.629 119.950 -0.120 0.000 2.766 672 F HA 0.384 4.911 4.527 -0.000 0.000 0.355 672 F C 1.056 176.750 175.800 -0.175 0.000 1.434 672 F CA -0.577 57.339 58.000 -0.140 0.000 1.139 672 F CB 1.385 40.311 39.000 -0.123 0.000 1.816 672 F HN -0.096 nan 8.300 nan 0.000 0.600 673 G N 0.055 108.798 108.800 -0.095 0.000 2.939 673 G HA2 0.305 4.265 3.960 -0.000 0.000 0.210 673 G HA3 0.305 4.265 3.960 -0.000 0.000 0.210 673 G C 0.900 175.655 174.900 -0.240 0.000 1.160 673 G CA 0.347 45.373 45.100 -0.123 0.000 0.770 673 G HN 0.635 nan 8.290 nan 0.000 0.543 677 T N -0.621 113.984 114.554 0.085 0.000 2.893 677 T HA 0.762 5.112 4.350 -0.000 0.000 0.291 677 T C -0.829 173.913 174.700 0.070 0.000 1.028 677 T CA -0.632 61.506 62.100 0.062 0.000 0.995 677 T CB 1.255 70.151 68.868 0.047 0.000 1.051 677 T HN 0.780 nan 8.240 nan 0.000 0.470 678 L N 2.365 123.647 121.223 0.099 0.000 2.345 678 L HA 0.423 4.763 4.340 -0.000 0.000 0.274 678 L C 0.197 177.208 176.870 0.236 0.000 0.999 678 L CA -0.767 54.156 54.840 0.138 0.000 0.849 678 L CB 1.711 43.842 42.059 0.120 0.000 1.220 678 L HN 0.661 nan 8.230 nan 0.000 0.422 679 Q N 2.980 122.870 119.800 0.151 0.000 2.260 679 Q HA 0.585 4.925 4.340 -0.000 0.000 0.242 679 Q C -1.204 174.912 176.000 0.193 0.000 0.932 679 Q CA -0.289 55.561 55.803 0.078 0.000 0.891 679 Q CB 1.865 30.605 28.738 0.002 0.000 1.222 679 Q HN 0.539 nan 8.270 nan 0.000 0.453 680 Y N -3.132 117.170 120.300 0.002 0.000 2.965 680 Y HA 0.639 5.189 4.550 0.000 0.000 0.341 680 Y C -1.796 174.106 175.900 0.003 0.000 1.443 680 Y CA -1.293 56.808 58.100 0.003 0.000 1.101 680 Y CB 0.685 39.148 38.460 0.005 0.000 1.969 680 Y HN 0.252 nan 8.280 nan 0.000 0.419 681 V N 2.122 122.181 119.914 0.241 0.000 2.612 681 V HA 0.652 4.772 4.120 -0.000 0.000 0.301 681 V C -0.960 175.281 176.094 0.246 0.000 1.059 681 V CA -0.180 62.192 62.300 0.120 0.000 0.886 681 V CB 1.546 33.400 31.823 0.051 0.000 1.007 681 V HN 1.039 nan 8.190 nan 0.000 0.426 682 S N 1.367 117.202 115.700 0.226 0.000 2.513 682 S HA 0.540 5.010 4.470 -0.000 0.000 0.299 682 S C 0.158 174.817 174.600 0.098 0.000 1.087 682 S CA -0.718 57.595 58.200 0.188 0.000 1.012 682 S CB 2.188 65.546 63.200 0.264 0.000 1.044 682 S HN 0.540 nan 8.310 nan 0.000 0.485 683 D N 1.423 121.863 120.400 0.068 0.000 2.097 683 D HA 0.083 4.723 4.640 -0.000 0.000 0.195 683 D C 1.056 177.380 176.300 0.040 0.000 0.989 683 D CA 1.498 55.523 54.000 0.043 0.000 0.827 683 D CB 0.110 40.928 40.800 0.030 0.000 0.966 683 D HN 0.580 nan 8.370 nan 0.000 0.456 684 R N -0.895 119.633 120.500 0.047 0.000 3.270 684 R HA 0.467 4.807 4.340 -0.000 0.000 0.252 684 R C -0.432 175.902 176.300 0.056 0.000 1.331 684 R CA -0.759 55.366 56.100 0.042 0.000 1.028 684 R CB 1.163 31.481 30.300 0.029 0.000 1.450 684 R HN -0.136 nan 8.270 nan 0.000 0.471 685 E N -0.518 119.711 120.200 0.048 0.000 2.222 685 E HA 0.563 4.913 4.350 -0.000 0.000 0.272 685 E C -0.491 176.139 176.600 0.050 0.000 0.982 685 E CA -0.583 55.852 56.400 0.058 0.000 0.842 685 E CB 2.013 31.743 29.700 0.051 0.000 1.144 685 E HN 0.656 nan 8.360 nan 0.000 0.397 686 G N 0.853 109.689 108.800 0.060 0.000 2.500 686 G HA2 0.258 4.218 3.960 -0.000 0.000 0.299 686 G HA3 0.258 4.218 3.960 -0.000 0.000 0.299 686 G C -1.612 173.321 174.900 0.055 0.000 1.242 686 G CA -0.643 44.485 45.100 0.047 0.000 0.859 686 G HN 0.395 nan 8.290 nan 0.000 0.481 687 Q N -0.557 119.252 119.800 0.015 0.000 2.294 687 Q HA 0.485 4.825 4.340 -0.000 0.000 0.264 687 Q C -1.256 174.706 176.000 -0.064 0.000 0.992 687 Q CA -0.522 55.261 55.803 -0.034 0.000 0.747 687 Q CB 2.120 30.835 28.738 -0.039 0.000 1.262 687 Q HN 0.547 nan 8.270 nan 0.000 0.452 688 c N 3.438 121.986 118.600 -0.087 0.000 2.370 688 c HA 0.627 5.197 4.570 -0.000 0.000 0.354 688 c C -2.199 171.839 174.090 -0.086 0.000 1.218 688 c CA -1.344 54.936 56.329 -0.082 0.000 2.154 688 c CB 0.613 43.062 42.510 -0.102 0.000 2.391 688 c HN 0.567 nan 8.230 nan 0.000 0.540 689 P HA 0.350 nan 4.420 nan 0.000 0.300 689 P C -1.017 176.269 177.300 -0.023 0.000 1.356 689 P CA -0.134 62.936 63.100 -0.051 0.000 0.823 689 P CB 0.772 32.445 31.700 -0.045 0.000 0.934 690 V N 4.829 124.732 119.914 -0.019 0.000 2.439 690 V HA 0.520 4.640 4.120 -0.000 0.000 0.282 690 V C -0.067 176.061 176.094 0.057 0.000 1.039 690 V CA -0.085 62.220 62.300 0.007 0.000 0.913 690 V CB 0.694 32.512 31.823 -0.008 0.000 0.983 690 V HN 0.707 nan 8.190 nan 0.000 0.460 691 H N 2.120 121.133 119.070 -0.096 0.000 3.064 691 H HA 0.557 5.113 4.556 0.000 0.000 0.352 691 H C -0.566 174.633 175.328 -0.216 0.000 1.260 691 H CA -0.293 55.654 56.048 -0.169 0.000 1.160 691 H CB 1.952 31.577 29.762 -0.228 0.000 1.879 691 H HN 0.697 nan 8.280 nan 0.000 0.544 692 S N 2.698 117.832 115.700 -0.943 0.000 2.462 692 S HA 0.237 4.707 4.470 -0.000 0.000 0.294 692 S C -0.198 173.942 174.600 -0.766 0.000 1.144 692 S CA -0.809 57.021 58.200 -0.616 0.000 1.088 692 S CB 0.670 63.633 63.200 -0.394 0.000 1.009 692 S HN 0.753 nan 8.310 nan 0.000 0.484 693 H N 2.388 121.340 119.070 -0.197 0.000 2.704 693 H HA 0.350 4.906 4.556 -0.000 0.000 0.315 693 H C -0.024 175.290 175.328 -0.024 0.000 1.117 693 H CA 0.023 56.028 56.048 -0.072 0.000 1.129 693 H CB -0.468 29.300 29.762 0.010 0.000 1.439 693 H HN 0.824 nan 8.280 nan 0.000 0.528 694 S N -0.804 114.903 115.700 0.011 0.000 2.584 694 S HA 0.073 4.543 4.470 -0.000 0.000 0.280 694 S C 0.843 175.437 174.600 -0.010 0.000 1.162 694 S CA -0.628 57.598 58.200 0.044 0.000 0.951 694 S CB 1.503 64.761 63.200 0.098 0.000 1.108 694 S HN 0.189 nan 8.310 nan 0.000 0.464 695 S N 0.987 116.695 115.700 0.013 0.000 2.547 695 S HA -0.123 4.347 4.470 -0.000 0.000 0.235 695 S C 1.779 176.375 174.600 -0.008 0.000 0.980 695 S CA 1.129 59.330 58.200 0.002 0.000 0.941 695 S CB -1.231 61.993 63.200 0.040 0.000 0.763 695 S HN 1.256 nan 8.310 nan 0.000 0.532 696 T N -1.102 113.459 114.554 0.012 0.000 3.077 696 T HA 0.440 4.790 4.350 -0.000 0.000 0.269 696 T C 0.510 175.182 174.700 -0.047 0.000 1.146 696 T CA 0.573 62.689 62.100 0.026 0.000 1.091 696 T CB -0.471 68.453 68.868 0.093 0.000 0.892 696 T HN 0.849 nan 8.240 nan 0.000 0.533 697 A N 0.489 123.210 122.820 -0.164 0.000 2.605 697 A HA 0.656 4.976 4.320 -0.000 0.000 0.294 697 A C -0.332 177.077 177.584 -0.292 0.000 1.062 697 A CA -0.595 51.242 52.037 -0.333 0.000 0.682 697 A CB 1.234 19.657 19.000 -0.961 0.000 1.278 697 A HN 0.658 nan 8.150 nan 0.000 0.410 698 T N -0.434 114.012 114.554 -0.180 0.000 2.912 698 T HA 0.707 5.057 4.350 -0.000 0.000 0.299 698 T C -0.653 174.064 174.700 0.029 0.000 1.052 698 T CA -0.627 61.413 62.100 -0.101 0.000 0.996 698 T CB 0.874 69.725 68.868 -0.028 0.000 1.070 698 T HN 0.656 nan 8.240 nan 0.000 0.465 699 L N 2.574 123.812 121.223 0.026 0.000 2.375 699 L HA 0.443 4.783 4.340 -0.000 0.000 0.271 699 L C 2.068 179.015 176.870 0.129 0.000 1.107 699 L CA -0.802 54.103 54.840 0.107 0.000 0.806 699 L CB 1.194 43.278 42.059 0.042 0.000 1.146 699 L HN 0.872 nan 8.230 nan 0.000 0.447 700 Q N 1.184 121.024 119.800 0.067 0.000 2.172 700 Q HA -0.007 4.333 4.340 -0.000 0.000 0.200 700 Q C -0.167 175.737 176.000 -0.160 0.000 0.964 700 Q CA 1.098 56.749 55.803 -0.253 0.000 0.855 700 Q CB 0.465 28.709 28.738 -0.823 0.000 0.918 700 Q HN 0.638 nan 8.270 nan 0.000 0.444 701 E N -0.916 119.246 120.200 -0.064 0.000 2.244 701 E HA 0.166 4.516 4.350 -0.000 0.000 0.266 701 E C -0.160 176.428 176.600 -0.019 0.000 0.914 701 E CA 0.078 56.450 56.400 -0.046 0.000 0.794 701 E CB 1.961 31.640 29.700 -0.035 0.000 1.210 701 E HN 0.162 nan 8.360 nan 0.000 0.414 702 S N -0.545 115.137 115.700 -0.030 0.000 2.520 702 S HA 0.051 4.521 4.470 -0.000 0.000 0.219 702 S C 0.692 175.260 174.600 -0.052 0.000 1.028 702 S CA -0.235 57.949 58.200 -0.027 0.000 0.921 702 S CB 0.166 63.346 63.200 -0.034 0.000 0.844 702 S HN 0.543 nan 8.310 nan 0.000 0.495 703 T N -0.394 114.112 114.554 -0.079 0.000 2.908 703 T HA 0.806 5.156 4.350 -0.000 0.000 0.290 703 T C -0.924 173.679 174.700 -0.162 0.000 1.034 703 T CA -0.771 61.253 62.100 -0.127 0.000 1.010 703 T CB 1.979 70.749 68.868 -0.163 0.000 1.068 703 T HN 0.059 nan 8.240 nan 0.000 0.481 704 V N 1.763 121.555 119.914 -0.202 0.000 2.851 704 V HA 0.337 4.457 4.120 -0.000 0.000 0.307 704 V C -0.861 175.097 176.094 -0.225 0.000 1.129 704 V CA -1.027 61.161 62.300 -0.187 0.000 0.932 704 V CB 2.107 33.885 31.823 -0.075 0.000 1.024 704 V HN 0.988 nan 8.190 nan 0.000 0.426 705 H N 3.173 122.247 119.070 0.007 0.000 3.109 705 H HA 0.246 4.802 4.556 -0.000 0.000 0.266 705 H C -0.128 175.221 175.328 0.036 0.000 1.334 705 H CA -0.095 55.962 56.048 0.015 0.000 1.456 705 H CB 0.940 30.712 29.762 0.016 0.000 1.587 705 H HN 0.332 nan 8.280 nan 0.000 0.500 706 V N 6.144 126.119 119.914 0.102 0.000 2.485 706 V HA -0.017 4.103 4.120 -0.000 0.000 0.287 706 V C 0.940 177.134 176.094 0.168 0.000 1.022 706 V CA 0.205 62.579 62.300 0.122 0.000 1.067 706 V CB 0.111 31.940 31.823 0.010 0.000 0.967 706 V HN 0.498 nan 8.190 nan 0.000 0.479 707 L N 3.905 125.256 121.223 0.213 0.000 2.421 707 L HA 0.484 4.824 4.340 -0.000 0.000 0.267 707 L C 1.268 178.226 176.870 0.147 0.000 1.036 707 L CA -0.713 54.212 54.840 0.142 0.000 0.829 707 L CB 0.810 42.923 42.059 0.091 0.000 1.437 707 L HN 0.513 nan 8.230 nan 0.000 0.488 708 E N -0.398 119.843 120.200 0.067 0.000 2.371 708 E HA -0.073 4.277 4.350 -0.000 0.000 0.194 708 E C 1.515 178.081 176.600 -0.058 0.000 1.012 708 E CA 0.348 56.765 56.400 0.029 0.000 0.860 708 E CB 0.200 29.911 29.700 0.018 0.000 0.811 708 E HN 0.416 nan 8.360 nan 0.000 0.502 709 K N 0.212 120.574 120.400 -0.062 0.000 2.089 709 K HA -0.144 4.176 4.320 -0.000 0.000 0.210 709 K C 1.252 177.697 176.600 -0.260 0.000 1.048 709 K CA 1.129 57.348 56.287 -0.113 0.000 0.926 709 K CB -0.231 32.229 32.500 -0.066 0.000 0.714 709 K HN 0.275 nan 8.250 nan 0.000 0.448 710 G N 0.531 109.020 108.800 -0.519 0.000 2.203 710 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.231 710 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.231 710 G C -0.336 174.132 174.900 -0.720 0.000 1.058 710 G CA -0.012 44.391 45.100 -1.163 0.000 0.781 710 G HN 0.549 nan 8.290 nan 0.000 0.496 711 A N -0.692 121.939 122.820 -0.315 0.000 2.442 711 A HA 0.789 5.109 4.320 -0.000 0.000 0.284 711 A C -0.667 177.004 177.584 0.145 0.000 1.058 711 A CA -0.294 51.728 52.037 -0.024 0.000 0.738 711 A CB 2.144 21.120 19.000 -0.039 0.000 1.242 711 A HN 1.331 nan 8.150 nan 0.000 0.421 712 V N 2.884 122.925 119.914 0.212 0.000 2.443 712 V HA 0.595 4.715 4.120 -0.000 0.000 0.293 712 V C 0.241 176.383 176.094 0.079 0.000 1.021 712 V CA -0.161 62.236 62.300 0.162 0.000 0.848 712 V CB 2.062 33.990 31.823 0.175 0.000 0.998 712 V HN 1.049 nan 8.190 nan 0.000 0.424 713 T N 2.691 117.265 114.554 0.033 0.000 2.767 713 T HA 0.809 5.159 4.350 -0.000 0.000 0.288 713 T C -0.601 174.043 174.700 -0.092 0.000 0.963 713 T CA -0.596 61.485 62.100 -0.032 0.000 1.019 713 T CB 1.486 70.321 68.868 -0.056 0.000 0.923 713 T HN 0.319 nan 8.240 nan 0.000 0.468 714 V N 3.463 123.309 119.914 -0.114 0.000 2.876 714 V HA 0.444 4.564 4.120 -0.000 0.000 0.312 714 V C -0.554 175.455 176.094 -0.142 0.000 1.085 714 V CA -1.085 61.155 62.300 -0.100 0.000 0.945 714 V CB 2.067 33.912 31.823 0.037 0.000 1.017 714 V HN 0.928 nan 8.190 nan 0.000 0.428 715 H N 3.744 122.867 119.070 0.089 0.000 2.463 715 H HA 0.671 5.227 4.556 -0.000 0.000 0.332 715 H C -0.769 174.660 175.328 0.168 0.000 1.127 715 H CA -0.124 55.958 56.048 0.055 0.000 1.238 715 H CB 1.910 31.624 29.762 -0.080 0.000 1.478 715 H HN 0.649 nan 8.280 nan 0.000 0.499 716 F N -0.495 119.579 119.950 0.207 0.000 2.692 716 F HA 0.639 5.166 4.527 0.000 0.000 0.320 716 F C -0.810 175.112 175.800 0.203 0.000 1.123 716 F CA -1.173 56.923 58.000 0.160 0.000 0.961 716 F CB 1.542 40.526 39.000 -0.026 0.000 1.383 716 F HN 0.389 nan 8.300 nan 0.000 0.483 717 S N 0.018 115.877 115.700 0.265 0.000 2.541 717 S HA 0.874 5.344 4.470 -0.000 0.000 0.280 717 S C -0.818 173.816 174.600 0.056 0.000 1.112 717 S CA 0.065 58.276 58.200 0.018 0.000 0.925 717 S CB 1.601 64.655 63.200 -0.244 0.000 1.067 717 S HN 1.336 nan 8.310 nan 0.000 0.479 718 T N -2.001 112.574 114.554 0.036 0.000 2.618 718 T HA 0.865 5.215 4.350 -0.000 0.000 0.286 718 T C -0.369 174.357 174.700 0.043 0.000 1.027 718 T CA -0.470 61.665 62.100 0.058 0.000 1.063 718 T CB 1.171 70.133 68.868 0.156 0.000 1.440 718 T HN 1.856 nan 8.240 nan 0.000 0.505 719 A N 0.800 123.669 122.820 0.081 0.000 3.214 719 A HA 0.680 5.000 4.320 -0.000 0.000 0.203 719 A C 0.023 177.687 177.584 0.133 0.000 0.960 719 A CA 0.011 52.110 52.037 0.103 0.000 1.113 719 A CB -0.468 18.567 19.000 0.058 0.000 1.280 719 A HN 1.599 nan 8.150 nan 0.000 0.573 720 S N -1.091 114.702 115.700 0.155 0.000 2.607 720 S HA 0.823 5.293 4.470 -0.000 0.000 0.273 720 S C -2.511 172.162 174.600 0.123 0.000 1.148 720 S CA -0.908 57.365 58.200 0.123 0.000 0.833 720 S CB 1.782 65.048 63.200 0.110 0.000 1.130 720 S HN -0.027 nan 8.310 nan 0.000 0.470 721 P HA 0.156 nan 4.420 nan 0.000 0.214 721 P C -0.343 176.999 177.300 0.069 0.000 1.163 721 P CA 0.947 64.063 63.100 0.025 0.000 0.881 721 P CB 0.001 31.681 31.700 -0.034 0.000 0.775 722 Q N -0.015 119.821 119.800 0.061 0.000 2.523 722 Q HA 0.625 4.965 4.340 -0.000 0.000 0.251 722 Q C -0.815 175.234 176.000 0.081 0.000 1.033 722 Q CA -0.604 55.239 55.803 0.067 0.000 0.746 722 Q CB 1.556 30.316 28.738 0.036 0.000 1.189 722 Q HN 0.104 nan 8.270 nan 0.000 0.508 723 A N 2.597 125.496 122.820 0.131 0.000 2.286 723 A HA 0.575 4.895 4.320 -0.000 0.000 0.286 723 A C -0.222 177.427 177.584 0.108 0.000 1.097 723 A CA -0.516 51.623 52.037 0.170 0.000 0.821 723 A CB 0.645 19.820 19.000 0.292 0.000 1.076 723 A HN 0.574 nan 8.150 nan 0.000 0.490 724 N N 0.619 119.385 118.700 0.109 0.000 2.540 724 N HA 0.565 5.305 4.740 -0.000 0.000 0.275 724 N C -1.671 173.877 175.510 0.062 0.000 1.053 724 N CA -0.073 52.966 53.050 -0.019 0.000 0.876 724 N CB 1.177 39.653 38.487 -0.018 0.000 1.284 724 N HN 0.545 nan 8.380 nan 0.000 0.518 725 F N 0.354 120.266 119.950 -0.064 0.000 2.576 725 F HA 0.683 5.210 4.527 -0.000 0.000 0.313 725 F C -0.479 175.278 175.800 -0.071 0.000 1.078 725 F CA -1.158 56.798 58.000 -0.073 0.000 0.921 725 F CB 1.148 40.081 39.000 -0.112 0.000 1.232 725 F HN 0.066 nan 8.300 nan 0.000 0.459 726 I N 4.019 124.669 120.570 0.133 0.000 2.287 726 I HA 0.288 4.458 4.170 -0.000 0.000 0.290 726 I C -0.479 175.732 176.117 0.157 0.000 1.069 726 I CA -0.826 60.523 61.300 0.082 0.000 1.237 726 I CB 1.003 39.054 38.000 0.084 0.000 1.418 726 I HN 0.430 nan 8.210 nan 0.000 0.481 727 V N 5.292 125.276 119.914 0.116 0.000 2.732 727 V HA 0.298 4.418 4.120 -0.000 0.000 0.297 727 V C 0.440 176.598 176.094 0.106 0.000 1.060 727 V CA -0.210 62.153 62.300 0.105 0.000 1.038 727 V CB 1.745 33.625 31.823 0.094 0.000 1.003 727 V HN 0.859 nan 8.190 nan 0.000 0.481 728 S N 5.073 120.836 115.700 0.106 0.000 2.707 728 S HA 0.705 5.175 4.470 -0.000 0.000 0.303 728 S C -0.964 173.673 174.600 0.062 0.000 1.132 728 S CA -0.778 57.503 58.200 0.135 0.000 1.046 728 S CB 0.915 64.318 63.200 0.338 0.000 1.004 728 S HN 0.447 nan 8.310 nan 0.000 0.483 729 L N 1.970 123.200 121.223 0.012 0.000 2.454 729 L HA 0.396 4.736 4.340 -0.000 0.000 0.256 729 L C 1.537 178.391 176.870 -0.026 0.000 1.136 729 L CA -1.129 53.686 54.840 -0.042 0.000 0.804 729 L CB 0.303 42.286 42.059 -0.127 0.000 1.181 729 L HN 0.936 nan 8.230 nan 0.000 0.469 730 c N 1.237 119.807 118.600 -0.050 0.000 2.119 730 c HA -0.338 4.232 4.570 -0.000 0.000 0.221 730 c C 2.110 176.203 174.090 0.005 0.000 1.056 730 c CA 1.710 58.022 56.329 -0.029 0.000 1.803 730 c CB -1.428 41.052 42.510 -0.050 0.000 1.371 730 c HN 1.105 nan 8.230 nan 0.000 0.341 731 G N -0.218 108.580 108.800 -0.003 0.000 2.781 731 G HA2 0.164 4.124 3.960 -0.000 0.000 0.208 731 G HA3 0.164 4.124 3.960 -0.000 0.000 0.208 731 G C 0.350 175.256 174.900 0.010 0.000 1.099 731 G CA 0.124 45.231 45.100 0.012 0.000 0.776 731 G HN 0.498 nan 8.290 nan 0.000 0.532 732 K N 0.957 121.355 120.400 -0.004 0.000 2.107 732 K HA 0.533 4.853 4.320 -0.000 0.000 0.251 732 K C -0.282 176.325 176.600 0.011 0.000 1.012 732 K CA 0.083 56.368 56.287 -0.004 0.000 0.920 732 K CB 1.258 33.748 32.500 -0.017 0.000 1.033 732 K HN 0.103 nan 8.250 nan 0.000 0.478 733 K N 0.199 120.602 120.400 0.005 0.000 2.469 733 K HA 0.417 4.737 4.320 -0.000 0.000 0.254 733 K C -0.276 176.324 176.600 -0.000 0.000 0.939 733 K CA -0.648 55.648 56.287 0.015 0.000 0.812 733 K CB 2.124 34.619 32.500 -0.008 0.000 1.301 733 K HN 0.853 nan 8.250 nan 0.000 0.433 734 T N -2.615 111.939 114.554 -0.001 0.000 2.590 734 T HA 0.596 4.946 4.350 -0.000 0.000 0.282 734 T C -0.674 173.990 174.700 -0.060 0.000 0.989 734 T CA -0.727 61.356 62.100 -0.028 0.000 1.091 734 T CB 1.537 70.388 68.868 -0.029 0.000 1.460 734 T HN 0.609 nan 8.240 nan 0.000 0.499 735 T N -1.413 113.079 114.554 -0.103 0.000 2.933 735 T HA 0.698 5.048 4.350 -0.000 0.000 0.305 735 T C -0.605 173.935 174.700 -0.267 0.000 1.092 735 T CA -0.784 61.206 62.100 -0.183 0.000 1.008 735 T CB 0.619 69.403 68.868 -0.140 0.000 1.102 735 T HN 1.002 nan 8.240 nan 0.000 0.469 736 c N 2.345 120.642 118.600 -0.505 0.000 2.719 736 c HA 0.947 5.517 4.570 -0.000 0.000 0.327 736 c C -0.286 173.492 174.090 -0.519 0.000 1.238 736 c CA -0.705 55.294 56.329 -0.550 0.000 1.727 736 c CB 1.367 43.398 42.510 -0.798 0.000 2.256 736 c HN 1.025 nan 8.230 nan 0.000 0.489 737 N N -0.040 118.485 118.700 -0.292 0.000 2.504 737 N HA 0.803 5.543 4.740 -0.000 0.000 0.268 737 N C -1.168 174.324 175.510 -0.030 0.000 1.184 737 N CA 0.046 53.004 53.050 -0.154 0.000 0.875 737 N CB 2.135 40.558 38.487 -0.107 0.000 1.630 737 N HN 1.194 nan 8.380 nan 0.000 0.486 738 A N 0.704 123.546 122.820 0.036 0.000 2.489 738 A HA 0.525 4.845 4.320 -0.000 0.000 0.293 738 A C -1.807 175.840 177.584 0.106 0.000 1.004 738 A CA -0.693 51.398 52.037 0.091 0.000 0.626 738 A CB 0.800 19.896 19.000 0.161 0.000 1.345 738 A HN 0.517 nan 8.150 nan 0.000 0.447 739 E N -0.195 120.064 120.200 0.100 0.000 2.183 739 E HA 0.607 4.957 4.350 -0.000 0.000 0.271 739 E C -0.822 175.849 176.600 0.118 0.000 0.919 739 E CA -0.576 55.878 56.400 0.091 0.000 0.781 739 E CB 1.775 31.509 29.700 0.056 0.000 1.140 739 E HN 0.720 nan 8.360 nan 0.000 0.402 740 c N 0.000 118.678 118.600 0.131 0.000 2.653 740 c HA 0.000 4.570 4.570 -0.000 0.000 0.325 740 c CA 0.000 56.444 56.329 0.192 0.000 1.963 740 c CB 0.000 42.656 42.510 0.243 0.000 2.134 740 c HN 0.000 nan 8.230 nan 0.000 0.568