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 3p4p_1_A DATA FIRST_RESID 0 DATA SEQUENCE MQTFQADLAI VGAGGAGLRA AIAAAQANPN AKIALISKVY PMRSHTVAAE DATA SEQUENCE GGSAAVAQDH DSFEYHFHDT VAGGDWLCEQ DVVDYFVHHC PTEMTQLELW DATA SEQUENCE GCPWSRRPDG SVNVRRFGGM KIERTWFAAD KTGFHMLHTL FQTSLQFPQI DATA SEQUENCE QRFDEHFVLD ILVDDGHVRG LVAMNMMEGT LVQIRANAVV MATGGAGRVY DATA SEQUENCE RYNTNGGIVT GDGMGMALSH GVPLRDMEFV QYHPTGLPGS GILMTEGCRG DATA SEQUENCE EGGILVNKNG YRYLQDYGMG PETPLGEPKN KYMELGPRDK VSQAFWHEWR DATA SEQUENCE KGNTISTPRG DVVYLDLRHL GEKKLHERLP FICELAKAYV GVDPVKEPIP DATA SEQUENCE VRPTAHYTMG GIETDQNCET RIKGLFAVGE CSSVGLHGAN RLGSNSLAEL DATA SEQUENCE VVFGRLAGEQ ATERAATAGN GNEAAIEAQA AGVEQRLKDL VNQDGGENWA DATA SEQUENCE KIRDEMGLAM EEGCGIYRTP ELMQKTIDKL AELQERFKRV RITDTSSVFN DATA SEQUENCE TDLLYTIELG HGLNVAECMA HSAMARKESR GAHQRLDEGC TERDDVNFLK DATA SEQUENCE HTLAFRDADG TTRLEYSDVK ITTLPPA 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 0 M HA 0.000 nan 4.480 nan 0.000 0.227 0 M C 0.000 176.326 176.300 0.044 0.000 1.140 0 M CA 0.000 55.328 55.300 0.046 0.000 0.988 0 M CB 0.000 32.637 32.600 0.062 0.000 1.302 1 Q N 1.177 121.017 119.800 0.067 0.000 2.315 1 Q HA 0.247 4.595 4.340 0.012 0.000 0.289 1 Q C -1.124 174.898 176.000 0.037 0.000 1.044 1 Q CA 0.823 56.642 55.803 0.028 0.000 0.920 1 Q CB 0.769 29.560 28.738 0.087 0.000 1.214 1 Q HN 0.642 nan 8.270 nan 0.000 0.392 2 T N 5.082 119.575 114.554 -0.103 0.000 2.792 2 T HA 0.485 4.842 4.350 0.012 0.000 0.280 2 T C -1.131 173.453 174.700 -0.194 0.000 0.990 2 T CA -0.313 61.760 62.100 -0.045 0.000 0.960 2 T CB 0.272 69.122 68.868 -0.030 0.000 0.939 2 T HN 0.400 nan 8.240 nan 0.000 0.439 3 F N 2.026 121.993 119.950 0.028 0.000 2.480 3 F HA 0.578 5.109 4.527 0.007 0.000 0.329 3 F C 0.459 176.270 175.800 0.017 0.000 1.091 3 F CA -1.029 57.002 58.000 0.051 0.000 0.972 3 F CB 1.842 40.905 39.000 0.104 0.000 1.150 3 F HN 0.276 nan 8.300 nan 0.000 0.467 4 Q N 2.377 122.299 119.800 0.203 0.000 2.333 4 Q HA 0.768 5.116 4.340 0.012 0.000 0.265 4 Q C -1.432 174.644 176.000 0.127 0.000 0.989 4 Q CA -0.460 55.412 55.803 0.115 0.000 0.842 4 Q CB 1.722 30.501 28.738 0.067 0.000 1.262 4 Q HN 0.766 nan 8.270 nan 0.000 0.451 5 A N 3.104 125.977 122.820 0.087 0.000 2.515 5 A HA 0.521 4.849 4.320 0.012 0.000 0.296 5 A C -0.343 177.268 177.584 0.044 0.000 1.094 5 A CA -0.626 51.456 52.037 0.075 0.000 0.718 5 A CB 1.243 20.289 19.000 0.077 0.000 1.307 5 A HN 0.754 nan 8.150 nan 0.000 0.408 6 D N -0.131 120.290 120.400 0.036 0.000 2.149 6 D HA 0.065 4.712 4.640 0.012 0.000 0.201 6 D C 0.189 176.497 176.300 0.013 0.000 0.972 6 D CA 1.491 55.505 54.000 0.024 0.000 0.835 6 D CB 0.170 40.979 40.800 0.016 0.000 0.966 6 D HN 0.349 nan 8.370 nan 0.000 0.476 7 L N -0.344 120.881 121.223 0.003 0.000 2.422 7 L HA 0.595 4.942 4.340 0.012 0.000 0.264 7 L C -1.578 175.279 176.870 -0.021 0.000 0.984 7 L CA -0.764 54.065 54.840 -0.018 0.000 0.819 7 L CB 2.258 44.292 42.059 -0.042 0.000 1.330 7 L HN -0.192 nan 8.230 nan 0.000 0.410 8 A N 4.913 127.712 122.820 -0.035 0.000 2.359 8 A HA 0.776 5.104 4.320 0.012 0.000 0.303 8 A C -1.178 176.371 177.584 -0.057 0.000 1.066 8 A CA -0.416 51.587 52.037 -0.057 0.000 0.730 8 A CB 1.168 20.116 19.000 -0.088 0.000 1.211 8 A HN 0.587 nan 8.150 nan 0.000 0.439 9 I N 2.612 123.149 120.570 -0.055 0.000 2.406 9 I HA 0.377 4.555 4.170 0.012 0.000 0.290 9 I C -0.720 175.361 176.117 -0.060 0.000 0.999 9 I CA -0.995 60.275 61.300 -0.050 0.000 1.124 9 I CB 2.099 40.076 38.000 -0.039 0.000 1.289 9 I HN 0.312 nan 8.210 nan 0.000 0.441 10 V N 5.047 124.920 119.914 -0.068 0.000 2.333 10 V HA 0.796 4.923 4.120 0.012 0.000 0.274 10 V C 0.432 176.479 176.094 -0.079 0.000 1.028 10 V CA -0.446 61.800 62.300 -0.089 0.000 0.851 10 V CB 0.491 32.245 31.823 -0.114 0.000 1.000 10 V HN 1.079 nan 8.190 nan 0.000 0.456 11 G N 3.938 112.694 108.800 -0.073 0.000 3.226 11 G HA2 0.361 4.328 3.960 0.012 0.000 0.685 11 G HA3 0.361 4.328 3.960 0.012 0.000 0.685 11 G C -0.258 174.625 174.900 -0.029 0.000 1.207 11 G CA -0.231 44.833 45.100 -0.059 0.000 0.877 11 G HN 1.472 nan 8.290 nan 0.000 0.585 12 A N 1.427 124.232 122.820 -0.025 0.000 2.676 12 A HA 0.801 5.129 4.320 0.012 0.000 0.297 12 A C 1.290 178.866 177.584 -0.013 0.000 1.132 12 A CA 1.118 53.150 52.037 -0.009 0.000 0.972 12 A CB -0.099 18.895 19.000 -0.010 0.000 1.197 12 A HN 2.121 nan 8.150 nan 0.000 0.524 13 G N -0.969 107.831 108.800 0.000 0.000 2.510 13 G HA2 0.416 4.384 3.960 0.012 0.000 0.280 13 G HA3 0.416 4.384 3.960 0.012 0.000 0.280 13 G C 1.166 176.090 174.900 0.040 0.000 1.386 13 G CA 0.134 45.243 45.100 0.015 0.000 1.047 13 G HN 0.530 nan 8.290 nan 0.000 0.527 14 G N -0.088 108.749 108.800 0.061 0.000 2.529 14 G HA2 -0.053 3.914 3.960 0.012 0.000 0.219 14 G HA3 -0.053 3.914 3.960 0.012 0.000 0.219 14 G C 1.978 176.937 174.900 0.098 0.000 1.177 14 G CA 2.145 47.298 45.100 0.089 0.000 0.773 14 G HN 0.954 nan 8.290 nan 0.000 0.573 15 A N 0.637 123.516 122.820 0.098 0.000 1.873 15 A HA 0.219 4.547 4.320 0.012 0.000 0.215 15 A C 2.739 180.365 177.584 0.069 0.000 1.186 15 A CA 2.071 54.170 52.037 0.104 0.000 0.616 15 A CB -1.078 17.987 19.000 0.109 0.000 0.823 15 A HN 0.586 nan 8.150 nan 0.000 0.442 16 G N -0.168 108.659 108.800 0.045 0.000 2.421 16 G HA2 -0.153 3.814 3.960 0.012 0.000 0.216 16 G HA3 -0.153 3.814 3.960 0.012 0.000 0.216 16 G C 1.575 176.487 174.900 0.020 0.000 1.171 16 G CA 1.019 46.131 45.100 0.020 0.000 0.775 16 G HN 0.409 nan 8.290 nan 0.000 0.543 17 L N -0.234 121.011 121.223 0.036 0.000 2.046 17 L HA -0.052 4.296 4.340 0.012 0.000 0.208 17 L C 2.923 179.802 176.870 0.015 0.000 1.077 17 L CA 1.321 56.182 54.840 0.034 0.000 0.747 17 L CB -0.258 41.837 42.059 0.059 0.000 0.896 17 L HN 0.156 nan 8.230 nan 0.000 0.432 18 R N 0.386 120.919 120.500 0.054 0.000 2.120 18 R HA -0.107 4.240 4.340 0.012 0.000 0.234 18 R C 2.126 178.448 176.300 0.038 0.000 1.123 18 R CA 1.453 57.603 56.100 0.084 0.000 0.975 18 R CB -0.406 29.977 30.300 0.138 0.000 0.866 18 R HN 0.334 nan 8.270 nan 0.000 0.446 19 A N -0.018 122.810 122.820 0.014 0.000 1.929 19 A HA 0.068 4.395 4.320 0.012 0.000 0.216 19 A C 2.308 179.851 177.584 -0.067 0.000 1.176 19 A CA 1.351 53.371 52.037 -0.028 0.000 0.628 19 A CB -0.838 18.141 19.000 -0.035 0.000 0.816 19 A HN 0.449 nan 8.150 nan 0.000 0.444 20 A N 0.349 123.131 122.820 -0.064 0.000 1.858 20 A HA -0.103 4.224 4.320 0.012 0.000 0.216 20 A C 2.095 179.571 177.584 -0.179 0.000 1.190 20 A CA 1.558 53.539 52.037 -0.094 0.000 0.617 20 A CB -0.695 18.270 19.000 -0.058 0.000 0.827 20 A HN 0.474 nan 8.150 nan 0.000 0.443 21 I N -0.106 120.338 120.570 -0.211 0.000 2.208 21 I HA -0.325 3.853 4.170 0.012 0.000 0.245 21 I C 2.937 178.852 176.117 -0.336 0.000 1.097 21 I CA 1.181 62.233 61.300 -0.414 0.000 1.363 21 I CB -0.346 37.463 38.000 -0.318 0.000 1.051 21 I HN 0.375 nan 8.210 nan 0.000 0.413 22 A N 0.581 123.317 122.820 -0.139 0.000 1.930 22 A HA -0.104 4.224 4.320 0.012 0.000 0.217 22 A C 2.524 180.031 177.584 -0.128 0.000 1.175 22 A CA 1.741 53.726 52.037 -0.087 0.000 0.627 22 A CB -0.704 18.275 19.000 -0.035 0.000 0.815 22 A HN 0.437 nan 8.150 nan 0.000 0.443 23 A N -0.226 122.508 122.820 -0.145 0.000 1.929 23 A HA 0.258 4.586 4.320 0.012 0.000 0.216 23 A C 2.467 179.967 177.584 -0.140 0.000 1.176 23 A CA 1.740 53.700 52.037 -0.129 0.000 0.628 23 A CB -0.900 18.029 19.000 -0.119 0.000 0.816 23 A HN 0.982 nan 8.150 nan 0.000 0.444 24 A N -0.613 122.076 122.820 -0.218 0.000 1.933 24 A HA -0.201 4.126 4.320 0.012 0.000 0.218 24 A C 2.110 179.567 177.584 -0.212 0.000 1.175 24 A CA 1.643 53.533 52.037 -0.244 0.000 0.628 24 A CB -0.471 18.252 19.000 -0.461 0.000 0.814 24 A HN 0.648 nan 8.150 nan 0.000 0.444 25 Q N -1.088 118.558 119.800 -0.258 0.000 2.269 25 Q HA 0.103 4.451 4.340 0.012 0.000 0.201 25 Q C 2.288 178.262 176.000 -0.043 0.000 0.946 25 Q CA 0.824 56.559 55.803 -0.113 0.000 0.877 25 Q CB -0.209 28.481 28.738 -0.079 0.000 0.963 25 Q HN 0.667 nan 8.270 nan 0.000 0.472 26 A N 1.609 124.394 122.820 -0.059 0.000 2.014 26 A HA -0.086 4.242 4.320 0.012 0.000 0.218 26 A C 0.895 178.465 177.584 -0.023 0.000 1.163 26 A CA 0.867 52.883 52.037 -0.035 0.000 0.652 26 A CB 0.064 19.035 19.000 -0.048 0.000 0.808 26 A HN 0.295 nan 8.150 nan 0.000 0.449 27 N N -1.653 117.030 118.700 -0.029 0.000 2.549 27 N HA 0.279 5.026 4.740 0.012 0.000 0.290 27 N C -3.035 172.472 175.510 -0.004 0.000 1.122 27 N CA -1.645 51.398 53.050 -0.012 0.000 0.885 27 N CB 1.571 40.050 38.487 -0.013 0.000 1.455 27 N HN -0.243 nan 8.380 nan 0.000 0.521 28 P HA 0.053 nan 4.420 nan 0.000 0.223 28 P C 0.498 177.817 177.300 0.031 0.000 1.151 28 P CA 0.840 63.961 63.100 0.036 0.000 0.787 28 P CB 0.414 32.141 31.700 0.045 0.000 0.788 29 N N -0.618 118.094 118.700 0.021 0.000 2.415 29 N HA 0.047 4.795 4.740 0.012 0.000 0.176 29 N C 0.805 176.327 175.510 0.020 0.000 1.042 29 N CA 0.209 53.272 53.050 0.021 0.000 0.902 29 N CB -0.483 38.014 38.487 0.017 0.000 0.986 29 N HN 0.036 nan 8.380 nan 0.000 0.447 30 A N 1.136 123.963 122.820 0.013 0.000 2.462 30 A HA 0.208 4.536 4.320 0.012 0.000 0.243 30 A C 0.114 177.710 177.584 0.020 0.000 1.076 30 A CA 0.079 52.122 52.037 0.011 0.000 0.773 30 A CB 0.245 19.242 19.000 -0.004 0.000 1.010 30 A HN -0.080 nan 8.150 nan 0.000 0.493 31 K N 1.744 122.163 120.400 0.031 0.000 2.267 31 K HA 0.535 4.862 4.320 0.012 0.000 0.282 31 K C -0.938 175.689 176.600 0.045 0.000 1.078 31 K CA 0.269 56.585 56.287 0.048 0.000 0.903 31 K CB 0.566 33.109 32.500 0.071 0.000 1.111 31 K HN 0.542 nan 8.250 nan 0.000 0.475 32 I N 2.137 122.731 120.570 0.040 0.000 2.378 32 I HA 0.356 4.533 4.170 0.012 0.000 0.291 32 I C -0.179 175.982 176.117 0.073 0.000 0.992 32 I CA -0.876 60.442 61.300 0.029 0.000 1.154 32 I CB 1.948 39.944 38.000 -0.007 0.000 1.315 32 I HN 0.518 nan 8.210 nan 0.000 0.448 33 A N 7.331 130.198 122.820 0.078 0.000 2.366 33 A HA 0.530 4.857 4.320 0.012 0.000 0.322 33 A C -0.721 176.913 177.584 0.084 0.000 1.397 33 A CA -0.387 51.743 52.037 0.154 0.000 0.984 33 A CB 0.218 19.211 19.000 -0.011 0.000 1.149 33 A HN 0.594 nan 8.150 nan 0.000 0.540 34 L N 4.822 126.128 121.223 0.138 0.000 2.259 34 L HA 0.580 4.927 4.340 0.012 0.000 0.288 34 L C -0.688 176.237 176.870 0.092 0.000 1.051 34 L CA -0.052 54.831 54.840 0.072 0.000 0.824 34 L CB 0.049 42.142 42.059 0.057 0.000 1.206 34 L HN 0.570 nan 8.230 nan 0.000 0.429 35 I N 3.681 124.260 120.570 0.015 0.000 2.460 35 I HA 0.614 4.791 4.170 0.012 0.000 0.298 35 I C 0.105 176.204 176.117 -0.030 0.000 0.989 35 I CA -0.288 61.006 61.300 -0.010 0.000 1.173 35 I CB 1.886 39.825 38.000 -0.101 0.000 1.338 35 I HN 0.603 nan 8.210 nan 0.000 0.456 36 S N 3.214 118.903 115.700 -0.018 0.000 2.562 36 S HA 0.242 4.720 4.470 0.012 0.000 0.274 36 S C 0.353 174.931 174.600 -0.036 0.000 1.160 36 S CA -0.896 57.276 58.200 -0.047 0.000 0.933 36 S CB 1.090 64.262 63.200 -0.046 0.000 1.100 36 S HN 0.755 nan 8.310 nan 0.000 0.468 37 K N 2.094 122.457 120.400 -0.062 0.000 2.211 37 K HA 0.050 4.378 4.320 0.012 0.000 0.203 37 K C 0.883 177.496 176.600 0.022 0.000 1.050 37 K CA 1.229 57.516 56.287 -0.001 0.000 0.945 37 K CB -0.487 32.020 32.500 0.011 0.000 0.732 37 K HN 0.456 nan 8.250 nan 0.000 0.451 38 V N -2.113 117.801 119.914 0.000 0.000 3.103 38 V HA 0.394 4.522 4.120 0.012 0.000 0.318 38 V C -0.438 175.617 176.094 -0.066 0.000 1.114 38 V CA -1.603 60.707 62.300 0.018 0.000 1.020 38 V CB 0.653 32.531 31.823 0.090 0.000 1.085 38 V HN 0.047 nan 8.190 nan 0.000 0.446 39 Y N 1.848 122.149 120.300 0.002 0.000 2.702 39 Y HA 0.210 4.768 4.550 0.014 0.000 0.336 39 Y C -1.383 174.380 175.900 -0.229 0.000 1.235 39 Y CA -0.487 57.550 58.100 -0.106 0.000 1.492 39 Y CB 0.099 38.488 38.460 -0.118 0.000 1.308 39 Y HN 0.493 nan 8.280 nan 0.000 0.589 40 P HA -0.255 nan 4.420 nan 0.000 0.216 40 P C 1.533 178.583 177.300 -0.416 0.000 1.150 40 P CA 1.893 64.781 63.100 -0.352 0.000 0.843 40 P CB 0.011 31.374 31.700 -0.562 0.000 0.787 41 M N -2.585 116.657 119.600 -0.596 0.000 2.686 41 M HA 0.083 4.571 4.480 0.012 0.000 0.246 41 M C 1.060 177.243 176.300 -0.194 0.000 1.096 41 M CA 1.588 56.569 55.300 -0.531 0.000 1.076 41 M CB -0.812 31.396 32.600 -0.652 0.000 1.504 41 M HN -0.204 nan 8.290 nan 0.000 0.524 42 R N 1.120 121.569 120.500 -0.084 0.000 2.300 42 R HA 0.292 4.639 4.340 0.012 0.000 0.199 42 R C 0.301 176.631 176.300 0.050 0.000 0.920 42 R CA 0.060 56.178 56.100 0.030 0.000 1.046 42 R CB 0.033 30.381 30.300 0.081 0.000 0.984 42 R HN 0.371 nan 8.270 nan 0.000 0.493 43 S N -0.022 115.685 115.700 0.012 0.000 2.573 43 S HA -0.081 4.397 4.470 0.012 0.000 0.277 43 S C 0.857 175.518 174.600 0.100 0.000 1.346 43 S CA -0.216 58.013 58.200 0.048 0.000 1.034 43 S CB 0.649 63.855 63.200 0.010 0.000 0.879 43 S HN 0.369 nan 8.310 nan 0.000 0.528 44 H N 1.839 120.929 119.070 0.033 0.000 2.518 44 H HA -0.047 4.517 4.556 0.012 0.000 0.289 44 H C 1.655 177.030 175.328 0.079 0.000 1.051 44 H CA 1.868 57.949 56.048 0.054 0.000 1.280 44 H CB -0.514 29.268 29.762 0.035 0.000 1.380 44 H HN 0.616 nan 8.280 nan 0.000 0.566 45 T N -0.918 113.648 114.554 0.020 0.000 2.849 45 T HA -0.162 4.195 4.350 0.012 0.000 0.270 45 T C 2.155 176.850 174.700 -0.009 0.000 1.066 45 T CA 1.107 63.210 62.100 0.005 0.000 1.130 45 T CB -0.540 68.359 68.868 0.051 0.000 0.864 45 T HN 0.266 nan 8.240 nan 0.000 0.481 46 V N 1.280 121.201 119.914 0.013 0.000 2.626 46 V HA 0.002 4.130 4.120 0.012 0.000 0.252 46 V C 2.413 178.569 176.094 0.102 0.000 1.067 46 V CA 1.621 63.984 62.300 0.104 0.000 1.081 46 V CB -0.729 31.195 31.823 0.169 0.000 0.686 46 V HN 0.528 nan 8.190 nan 0.000 0.468 47 A N -0.325 122.472 122.820 -0.038 0.000 2.208 47 A HA 0.564 4.892 4.320 0.012 0.000 0.209 47 A C 1.306 178.903 177.584 0.021 0.000 1.161 47 A CA 0.667 52.701 52.037 -0.005 0.000 0.782 47 A CB -0.496 18.447 19.000 -0.094 0.000 0.816 47 A HN 0.744 nan 8.150 nan 0.000 0.477 48 A N -0.159 122.665 122.820 0.008 0.000 2.462 48 A HA 0.478 4.805 4.320 0.012 0.000 0.243 48 A C 0.569 178.236 177.584 0.137 0.000 1.076 48 A CA 0.260 52.342 52.037 0.075 0.000 0.773 48 A CB 0.224 19.273 19.000 0.082 0.000 1.010 48 A HN 0.472 nan 8.150 nan 0.000 0.493 49 E N 1.367 121.655 120.200 0.146 0.000 2.467 49 E HA 0.106 4.463 4.350 0.012 0.000 0.213 49 E C 1.892 178.571 176.600 0.132 0.000 0.823 49 E CA 0.552 57.054 56.400 0.169 0.000 1.233 49 E CB 0.328 30.140 29.700 0.186 0.000 1.233 49 E HN 0.791 nan 8.360 nan 0.000 0.585 50 G N 1.117 109.966 108.800 0.082 0.000 2.433 50 G HA2 0.199 4.166 3.960 0.012 0.000 0.216 50 G HA3 0.199 4.166 3.960 0.012 0.000 0.216 50 G C 0.810 175.400 174.900 -0.515 0.000 1.186 50 G CA 0.812 45.736 45.100 -0.293 0.000 0.779 50 G HN 0.476 nan 8.290 nan 0.000 0.543 51 G N -2.121 106.539 108.800 -0.232 0.000 2.359 51 G HA2 0.372 4.339 3.960 0.012 0.000 0.303 51 G HA3 0.372 4.339 3.960 0.012 0.000 0.303 51 G C -1.059 173.868 174.900 0.045 0.000 1.293 51 G CA 0.278 45.382 45.100 0.007 0.000 0.964 51 G HN 0.822 nan 8.290 nan 0.000 0.531 52 S N -0.926 114.860 115.700 0.143 0.000 2.500 52 S HA 0.801 5.279 4.470 0.012 0.000 0.301 52 S C 0.246 174.813 174.600 -0.055 0.000 1.092 52 S CA 0.530 58.779 58.200 0.081 0.000 1.030 52 S CB 1.149 64.436 63.200 0.145 0.000 1.031 52 S HN 2.019 nan 8.310 nan 0.000 0.483 53 A N 3.020 125.828 122.820 -0.021 0.000 2.301 53 A HA 0.856 5.184 4.320 0.012 0.000 0.298 53 A C -0.079 177.359 177.584 -0.243 0.000 1.185 53 A CA -0.309 51.680 52.037 -0.080 0.000 0.830 53 A CB 0.411 19.426 19.000 0.024 0.000 1.112 53 A HN 1.400 nan 8.150 nan 0.000 0.508 54 A N 2.381 125.018 122.820 -0.306 0.000 2.500 54 A HA 0.538 4.866 4.320 0.012 0.000 0.291 54 A C -0.718 176.843 177.584 -0.039 0.000 1.048 54 A CA -0.456 51.401 52.037 -0.300 0.000 0.791 54 A CB 0.672 19.227 19.000 -0.742 0.000 1.309 54 A HN 1.187 nan 8.150 nan 0.000 0.397 55 V N 2.150 121.986 119.914 -0.130 0.000 2.458 55 V HA 0.311 4.438 4.120 0.012 0.000 0.287 55 V C 1.211 177.242 176.094 -0.105 0.000 1.009 55 V CA 1.551 63.722 62.300 -0.214 0.000 1.091 55 V CB 0.463 31.949 31.823 -0.562 0.000 0.960 55 V HN 1.350 nan 8.190 nan 0.000 0.476 56 A N 4.127 126.921 122.820 -0.043 0.000 2.048 56 A HA 0.240 4.568 4.320 0.012 0.000 0.197 56 A C 0.858 178.380 177.584 -0.103 0.000 1.486 56 A CA -0.179 51.840 52.037 -0.030 0.000 1.029 56 A CB 0.194 19.163 19.000 -0.053 0.000 1.101 56 A HN 0.683 nan 8.150 nan 0.000 0.470 57 Q N 0.958 120.683 119.800 -0.125 0.000 2.373 57 Q HA 0.142 4.489 4.340 0.012 0.000 0.255 57 Q C -0.287 175.680 176.000 -0.055 0.000 0.980 57 Q CA -0.319 55.435 55.803 -0.081 0.000 0.882 57 Q CB 0.737 29.397 28.738 -0.131 0.000 1.249 57 Q HN 0.295 nan 8.270 nan 0.000 0.438 58 D N 1.004 121.450 120.400 0.077 0.000 2.123 58 D HA -0.182 4.465 4.640 0.012 0.000 0.196 58 D C 1.691 178.062 176.300 0.119 0.000 0.992 58 D CA 1.825 55.870 54.000 0.075 0.000 0.833 58 D CB -0.149 40.697 40.800 0.078 0.000 0.954 58 D HN 0.709 nan 8.370 nan 0.000 0.455 59 H N -0.929 118.140 119.070 -0.003 0.000 2.462 59 H HA 0.071 4.635 4.556 0.013 0.000 0.292 59 H C 0.705 176.106 175.328 0.122 0.000 1.049 59 H CA 0.075 56.150 56.048 0.046 0.000 1.334 59 H CB -0.047 29.739 29.762 0.040 0.000 1.404 59 H HN -0.109 nan 8.280 nan 0.000 0.544 60 D N 1.122 121.396 120.400 -0.211 0.000 2.368 60 D HA 0.138 4.785 4.640 0.012 0.000 0.240 60 D C -0.158 176.062 176.300 -0.134 0.000 1.169 60 D CA 0.152 54.115 54.000 -0.062 0.000 0.906 60 D CB 1.329 42.005 40.800 -0.207 0.000 1.187 60 D HN 0.300 nan 8.370 nan 0.000 0.435 61 S N 1.196 116.723 115.700 -0.288 0.000 2.599 61 S HA 0.327 4.805 4.470 0.012 0.000 0.287 61 S C 0.737 175.091 174.600 -0.409 0.000 1.105 61 S CA -0.740 57.143 58.200 -0.528 0.000 0.899 61 S CB 0.465 63.137 63.200 -0.881 0.000 1.100 61 S HN 0.394 nan 8.310 nan 0.000 0.482 62 F N 1.248 121.065 119.950 -0.223 0.000 2.307 62 F HA -0.022 4.513 4.527 0.013 0.000 0.301 62 F C 2.344 178.087 175.800 -0.095 0.000 1.076 62 F CA 1.288 59.158 58.000 -0.216 0.000 1.383 62 F CB 0.065 38.741 39.000 -0.540 0.000 1.055 62 F HN 0.672 nan 8.300 nan 0.000 0.526 63 E N -0.331 119.862 120.200 -0.011 0.000 2.158 63 E HA -0.167 4.190 4.350 0.012 0.000 0.191 63 E C 1.768 178.517 176.600 0.248 0.000 0.982 63 E CA 1.324 57.764 56.400 0.067 0.000 0.823 63 E CB -0.402 29.255 29.700 -0.071 0.000 0.766 63 E HN 0.393 nan 8.360 nan 0.000 0.468 64 Y N -0.324 120.082 120.300 0.176 0.000 2.200 64 Y HA -0.056 4.501 4.550 0.012 0.000 0.290 64 Y C 2.486 178.544 175.900 0.264 0.000 1.137 64 Y CA 1.477 59.679 58.100 0.170 0.000 1.163 64 Y CB -1.220 37.275 38.460 0.058 0.000 0.988 64 Y HN 0.351 nan 8.280 nan 0.000 0.518 65 H N -1.226 118.009 119.070 0.275 0.000 2.357 65 H HA -0.203 4.360 4.556 0.013 0.000 0.301 65 H C 2.141 177.627 175.328 0.264 0.000 1.082 65 H CA 1.177 57.359 56.048 0.224 0.000 1.342 65 H CB -0.293 29.562 29.762 0.156 0.000 1.389 65 H HN 0.307 nan 8.280 nan 0.000 0.511 66 F N 0.651 120.714 119.950 0.188 0.000 2.126 66 F HA -0.237 4.298 4.527 0.012 0.000 0.299 66 F C 2.583 178.446 175.800 0.104 0.000 1.096 66 F CA 2.157 60.216 58.000 0.099 0.000 1.255 66 F CB -0.516 38.552 39.000 0.112 0.000 0.997 66 F HN 0.229 nan 8.300 nan 0.000 0.479 67 H N -0.302 118.907 119.070 0.231 0.000 2.326 67 H HA -0.121 4.443 4.556 0.013 0.000 0.301 67 H C 1.981 177.276 175.328 -0.056 0.000 1.081 67 H CA 2.131 58.232 56.048 0.087 0.000 1.334 67 H CB -0.406 29.509 29.762 0.257 0.000 1.385 67 H HN 0.172 nan 8.280 nan 0.000 0.504 68 D N -0.505 120.029 120.400 0.224 0.000 2.133 68 D HA -0.160 4.488 4.640 0.012 0.000 0.195 68 D C 2.082 178.358 176.300 -0.040 0.000 0.997 68 D CA 1.848 55.928 54.000 0.134 0.000 0.840 68 D CB -0.612 40.317 40.800 0.216 0.000 0.947 68 D HN 0.425 nan 8.370 nan 0.000 0.452 69 T N 0.428 114.938 114.554 -0.073 0.000 2.643 69 T HA -0.103 4.254 4.350 0.012 0.000 0.264 69 T C 2.270 176.741 174.700 -0.381 0.000 1.045 69 T CA 1.001 62.998 62.100 -0.171 0.000 1.155 69 T CB -0.519 68.246 68.868 -0.172 0.000 0.863 69 T HN -0.052 nan 8.240 nan 0.000 0.420 70 V N 1.703 121.243 119.914 -0.624 0.000 2.252 70 V HA -0.236 3.892 4.120 0.012 0.000 0.249 70 V C 2.867 178.319 176.094 -1.071 0.000 1.056 70 V CA 1.972 63.755 62.300 -0.862 0.000 1.022 70 V CB -1.198 29.983 31.823 -1.070 0.000 0.641 70 V HN 0.564 nan 8.190 nan 0.000 0.445 71 A N 0.157 122.336 122.820 -1.068 0.000 1.902 71 A HA -0.098 4.230 4.320 0.012 0.000 0.217 71 A C 2.408 179.763 177.584 -0.381 0.000 1.181 71 A CA 1.919 53.401 52.037 -0.926 0.000 0.623 71 A CB -1.223 17.475 19.000 -0.504 0.000 0.818 71 A HN 0.562 nan 8.150 nan 0.000 0.443 72 G N -0.668 107.975 108.800 -0.261 0.000 2.432 72 G HA2 0.057 4.024 3.960 0.012 0.000 0.219 72 G HA3 0.057 4.024 3.960 0.012 0.000 0.219 72 G C 1.307 176.135 174.900 -0.121 0.000 1.135 72 G CA 1.075 46.107 45.100 -0.113 0.000 0.767 72 G HN 0.776 nan 8.290 nan 0.000 0.550 73 G N -0.384 108.286 108.800 -0.218 0.000 3.026 73 G HA2 0.266 4.234 3.960 0.012 0.000 0.208 73 G HA3 0.266 4.234 3.960 0.012 0.000 0.208 73 G C 0.324 175.134 174.900 -0.150 0.000 1.169 73 G CA 0.525 45.511 45.100 -0.190 0.000 0.788 73 G HN 0.350 nan 8.290 nan 0.000 0.533 74 D N -1.999 118.358 120.400 -0.071 0.000 2.860 74 D HA -0.210 4.438 4.640 0.012 0.000 0.229 74 D C 0.701 177.219 176.300 0.362 0.000 1.169 74 D CA 1.151 55.275 54.000 0.206 0.000 0.737 74 D CB -0.933 39.957 40.800 0.150 0.000 1.080 74 D HN 0.567 nan 8.370 nan 0.000 0.424 75 W N -2.708 118.531 121.300 -0.102 0.000 2.046 75 W HA -0.300 4.368 4.660 0.012 0.000 0.263 75 W C 0.724 177.177 176.519 -0.109 0.000 1.048 75 W CA 0.106 57.392 57.345 -0.098 0.000 0.474 75 W CB -1.827 27.595 29.460 -0.065 0.000 2.069 75 W HN 0.265 nan 8.180 nan 0.000 1.264 76 L N 0.251 121.466 121.223 -0.013 0.000 2.612 76 L HA 0.053 4.401 4.340 0.012 0.000 0.230 76 L C 1.167 178.015 176.870 -0.037 0.000 1.140 76 L CA 0.704 55.498 54.840 -0.077 0.000 0.896 76 L CB -0.335 41.632 42.059 -0.154 0.000 1.065 76 L HN -0.100 nan 8.230 nan 0.000 0.447 77 C N 0.503 119.748 119.300 -0.091 0.000 2.534 77 C HA 0.162 4.629 4.460 0.012 0.000 0.385 77 C C 0.865 175.844 174.990 -0.018 0.000 1.264 77 C CA -1.036 57.928 59.018 -0.089 0.000 2.342 77 C CB 0.643 28.242 27.740 -0.234 0.000 2.564 77 C HN 0.251 nan 8.230 nan 0.000 0.603 78 E N 1.838 122.046 120.200 0.014 0.000 1.996 78 E HA 0.055 4.412 4.350 0.012 0.000 0.280 78 E C 0.784 177.415 176.600 0.052 0.000 1.092 78 E CA 0.228 56.662 56.400 0.057 0.000 0.862 78 E CB 0.551 30.282 29.700 0.053 0.000 1.066 78 E HN 0.670 nan 8.360 nan 0.000 0.396 79 Q N 1.324 121.178 119.800 0.090 0.000 2.226 79 Q HA -0.178 4.169 4.340 0.012 0.000 0.204 79 Q C 1.078 177.257 176.000 0.298 0.000 0.975 79 Q CA 1.444 57.361 55.803 0.191 0.000 0.866 79 Q CB 0.185 29.083 28.738 0.268 0.000 0.915 79 Q HN 0.469 nan 8.270 nan 0.000 0.440 80 D N -0.377 120.144 120.400 0.201 0.000 2.312 80 D HA -0.095 4.553 4.640 0.012 0.000 0.211 80 D C 1.637 178.078 176.300 0.234 0.000 0.964 80 D CA 0.561 54.678 54.000 0.196 0.000 0.877 80 D CB -0.213 40.664 40.800 0.127 0.000 0.924 80 D HN 0.067 nan 8.370 nan 0.000 0.515 81 V N 0.371 120.409 119.914 0.207 0.000 2.535 81 V HA -0.118 4.010 4.120 0.012 0.000 0.246 81 V C 2.667 178.981 176.094 0.368 0.000 1.045 81 V CA 0.723 63.176 62.300 0.256 0.000 1.058 81 V CB 0.105 31.970 31.823 0.070 0.000 0.689 81 V HN 0.096 nan 8.190 nan 0.000 0.461 82 V N 0.705 120.768 119.914 0.250 0.000 2.515 82 V HA -0.239 3.888 4.120 0.012 0.000 0.250 82 V C 2.243 178.625 176.094 0.479 0.000 1.058 82 V CA 2.267 64.716 62.300 0.248 0.000 1.064 82 V CB -0.565 31.236 31.823 -0.037 0.000 0.675 82 V HN 0.667 nan 8.190 nan 0.000 0.461 83 D N -0.528 120.190 120.400 0.531 0.000 2.084 83 D HA -0.251 4.397 4.640 0.012 0.000 0.196 83 D C 2.048 178.585 176.300 0.396 0.000 0.985 83 D CA 1.380 55.655 54.000 0.459 0.000 0.826 83 D CB -0.306 40.665 40.800 0.284 0.000 0.978 83 D HN 0.477 nan 8.370 nan 0.000 0.456 84 Y N -0.411 120.049 120.300 0.266 0.000 2.241 84 Y HA -0.211 4.347 4.550 0.014 0.000 0.286 84 Y C 1.871 177.908 175.900 0.229 0.000 1.166 84 Y CA 1.816 60.051 58.100 0.224 0.000 1.203 84 Y CB -0.486 38.065 38.460 0.152 0.000 0.977 84 Y HN 0.122 nan 8.280 nan 0.000 0.529 85 F N -0.056 119.973 119.950 0.132 0.000 2.187 85 F HA -0.084 4.450 4.527 0.012 0.000 0.295 85 F C 2.265 178.039 175.800 -0.044 0.000 1.091 85 F CA 1.690 59.699 58.000 0.016 0.000 1.308 85 F CB -0.855 38.293 39.000 0.246 0.000 1.030 85 F HN -0.069 nan 8.300 nan 0.000 0.487 86 V N -1.629 118.229 119.914 -0.094 0.000 2.358 86 V HA -0.221 3.907 4.120 0.012 0.000 0.246 86 V C 2.400 178.374 176.094 -0.201 0.000 1.047 86 V CA 2.160 64.350 62.300 -0.184 0.000 1.035 86 V CB -1.333 30.510 31.823 0.034 0.000 0.658 86 V HN 0.385 nan 8.190 nan 0.000 0.452 87 H N 0.035 118.850 119.070 -0.424 0.000 2.423 87 H HA -0.062 4.502 4.556 0.012 0.000 0.297 87 H C 2.144 177.056 175.328 -0.694 0.000 1.075 87 H CA 2.286 57.798 56.048 -0.894 0.000 1.342 87 H CB -0.074 29.226 29.762 -0.771 0.000 1.395 87 H HN 0.624 nan 8.280 nan 0.000 0.530 88 H N -1.475 117.305 119.070 -0.484 0.000 2.548 88 H HA 0.029 4.593 4.556 0.014 0.000 0.265 88 H C 2.255 177.349 175.328 -0.389 0.000 0.969 88 H CA 0.169 55.924 56.048 -0.488 0.000 1.155 88 H CB 0.297 29.614 29.762 -0.743 0.000 1.394 88 H HN 0.200 nan 8.280 nan 0.000 0.570 89 C N 0.727 119.839 119.300 -0.312 0.000 2.453 89 C HA -0.068 4.399 4.460 0.012 0.000 0.277 89 C C -0.123 174.692 174.990 -0.291 0.000 1.262 89 C CA 0.774 59.582 59.018 -0.349 0.000 1.718 89 C CB -0.838 26.662 27.740 -0.400 0.000 2.031 89 C HN 0.484 nan 8.230 nan 0.000 0.480 90 P HA -0.091 nan 4.420 nan 0.000 0.216 90 P C 1.569 178.768 177.300 -0.169 0.000 1.150 90 P CA 1.839 64.859 63.100 -0.133 0.000 0.837 90 P CB -0.279 31.466 31.700 0.075 0.000 0.786 91 T N -0.514 113.947 114.554 -0.154 0.000 2.720 91 T HA -0.139 4.218 4.350 0.012 0.000 0.268 91 T C 1.567 176.164 174.700 -0.172 0.000 1.037 91 T CA 1.281 63.294 62.100 -0.145 0.000 1.144 91 T CB -0.506 68.274 68.868 -0.147 0.000 0.864 91 T HN 0.146 nan 8.240 nan 0.000 0.444 92 E N 0.263 120.345 120.200 -0.196 0.000 2.170 92 E HA 0.108 4.465 4.350 0.012 0.000 0.191 92 E C 2.020 178.510 176.600 -0.184 0.000 0.981 92 E CA 0.562 56.860 56.400 -0.171 0.000 0.830 92 E CB -0.232 29.398 29.700 -0.117 0.000 0.775 92 E HN 0.362 nan 8.360 nan 0.000 0.470 93 M N 0.258 119.635 119.600 -0.372 0.000 2.229 93 M HA -0.055 4.432 4.480 0.012 0.000 0.264 93 M C 2.060 178.241 176.300 -0.198 0.000 1.063 93 M CA 1.271 56.251 55.300 -0.533 0.000 1.114 93 M CB -0.655 30.899 32.600 -1.745 0.000 1.387 93 M HN -0.058 nan 8.290 nan 0.000 0.420 94 T N -0.817 113.644 114.554 -0.155 0.000 2.770 94 T HA -0.154 4.204 4.350 0.012 0.000 0.263 94 T C 1.738 176.423 174.700 -0.025 0.000 1.039 94 T CA 1.308 63.439 62.100 0.052 0.000 1.142 94 T CB -0.120 68.770 68.868 0.036 0.000 0.868 94 T HN 0.263 nan 8.240 nan 0.000 0.435 95 Q N 0.854 120.545 119.800 -0.182 0.000 2.135 95 Q HA 0.031 4.379 4.340 0.012 0.000 0.204 95 Q C 2.053 177.779 176.000 -0.456 0.000 0.981 95 Q CA 1.410 56.942 55.803 -0.451 0.000 0.856 95 Q CB -0.739 27.623 28.738 -0.627 0.000 0.902 95 Q HN 0.495 nan 8.270 nan 0.000 0.425 96 L N 0.209 121.391 121.223 -0.068 0.000 2.046 96 L HA -0.169 4.178 4.340 0.012 0.000 0.208 96 L C 2.567 179.591 176.870 0.257 0.000 1.077 96 L CA 1.551 56.525 54.840 0.223 0.000 0.747 96 L CB -0.477 41.794 42.059 0.352 0.000 0.896 96 L HN 0.339 nan 8.230 nan 0.000 0.432 97 E N 0.602 121.026 120.200 0.373 0.000 2.058 97 E HA -0.232 4.125 4.350 0.012 0.000 0.194 97 E C 2.282 178.985 176.600 0.171 0.000 0.997 97 E CA 1.464 58.077 56.400 0.357 0.000 0.801 97 E CB -0.207 29.792 29.700 0.498 0.000 0.746 97 E HN 0.465 nan 8.360 nan 0.000 0.450 98 L N -0.534 120.728 121.223 0.064 0.000 2.051 98 L HA -0.223 4.125 4.340 0.012 0.000 0.214 98 L C 2.497 179.443 176.870 0.126 0.000 1.076 98 L CA 1.363 56.206 54.840 0.006 0.000 0.758 98 L CB -0.691 41.283 42.059 -0.141 0.000 0.890 98 L HN 0.289 nan 8.230 nan 0.000 0.433 99 W N -0.147 121.196 121.300 0.071 0.000 2.800 99 W HA 0.113 4.780 4.660 0.012 0.000 0.249 99 W C 1.611 178.138 176.519 0.013 0.000 1.294 99 W CA 1.178 58.549 57.345 0.043 0.000 1.402 99 W CB -0.614 28.879 29.460 0.054 0.000 1.126 99 W HN 0.411 nan 8.180 nan 0.000 0.652 100 G N -1.133 107.796 108.800 0.215 0.000 2.198 100 G HA2 -0.227 3.741 3.960 0.012 0.000 0.156 100 G HA3 -0.227 3.741 3.960 0.012 0.000 0.156 100 G C 0.004 174.909 174.900 0.009 0.000 1.012 100 G CA -0.417 44.741 45.100 0.097 0.000 0.692 100 G HN 0.105 nan 8.290 nan 0.000 0.492 101 C N 3.645 122.921 119.300 -0.039 0.000 2.633 101 C HA 0.489 4.956 4.460 0.012 0.000 0.415 101 C C -1.116 173.632 174.990 -0.403 0.000 1.393 101 C CA -0.747 58.092 59.018 -0.300 0.000 1.700 101 C CB 0.252 27.666 27.740 -0.543 0.000 2.541 101 C HN 0.359 nan 8.230 nan 0.000 0.603 102 P HA 0.114 nan 4.420 nan 0.000 0.225 102 P C -0.695 176.388 177.300 -0.362 0.000 1.813 102 P CA -0.086 62.803 63.100 -0.352 0.000 1.013 102 P CB -0.421 31.051 31.700 -0.381 0.000 1.961 103 W N 1.002 122.221 121.300 -0.135 0.000 2.170 103 W HA 0.078 4.745 4.660 0.012 0.000 0.342 103 W C 0.973 177.308 176.519 -0.305 0.000 1.294 103 W CA -0.207 57.030 57.345 -0.181 0.000 1.246 103 W CB 0.135 29.545 29.460 -0.083 0.000 1.156 103 W HN 0.141 nan 8.180 nan 0.000 0.572 104 S N 3.148 118.696 115.700 -0.254 0.000 2.560 104 S HA 0.252 4.729 4.470 0.012 0.000 0.284 104 S C 0.236 174.642 174.600 -0.323 0.000 1.327 104 S CA -0.518 57.443 58.200 -0.398 0.000 1.055 104 S CB 0.304 63.010 63.200 -0.823 0.000 0.868 104 S HN 0.244 nan 8.310 nan 0.000 0.506 105 R N 1.758 122.151 120.500 -0.178 0.000 2.803 105 R HA 0.438 4.786 4.340 0.012 0.000 0.276 105 R C -0.122 176.123 176.300 -0.092 0.000 0.978 105 R CA -0.801 55.218 56.100 -0.135 0.000 0.939 105 R CB 1.288 31.539 30.300 -0.082 0.000 1.179 105 R HN 0.614 nan 8.270 nan 0.000 0.472 106 R N 1.274 121.719 120.500 -0.092 0.000 2.615 106 R HA 0.147 4.495 4.340 0.012 0.000 0.270 106 R C -1.427 174.849 176.300 -0.040 0.000 1.081 106 R CA -1.549 54.518 56.100 -0.055 0.000 1.154 106 R CB 0.128 30.388 30.300 -0.067 0.000 1.063 106 R HN 0.246 nan 8.270 nan 0.000 0.519 107 P HA -0.211 nan 4.420 nan 0.000 0.216 107 P C 0.214 177.500 177.300 -0.025 0.000 1.153 107 P CA 1.568 64.657 63.100 -0.019 0.000 0.858 107 P CB 0.021 31.714 31.700 -0.012 0.000 0.789 108 D N -2.251 118.130 120.400 -0.031 0.000 2.384 108 D HA 0.003 4.650 4.640 0.012 0.000 0.222 108 D C 1.440 177.717 176.300 -0.038 0.000 0.976 108 D CA 1.097 55.078 54.000 -0.033 0.000 0.915 108 D CB -1.026 39.753 40.800 -0.036 0.000 0.896 108 D HN 0.257 nan 8.370 nan 0.000 0.523 109 G N -0.148 108.625 108.800 -0.044 0.000 2.176 109 G HA2 -0.313 3.655 3.960 0.012 0.000 0.253 109 G HA3 -0.313 3.655 3.960 0.012 0.000 0.253 109 G C 0.488 175.348 174.900 -0.068 0.000 0.979 109 G CA 0.376 45.447 45.100 -0.047 0.000 0.641 109 G HN 0.875 nan 8.290 nan 0.000 0.530 110 S N -0.180 115.468 115.700 -0.087 0.000 2.593 110 S HA 0.610 5.088 4.470 0.012 0.000 0.269 110 S C 0.901 175.387 174.600 -0.189 0.000 1.334 110 S CA -0.046 58.076 58.200 -0.130 0.000 1.015 110 S CB 1.755 64.877 63.200 -0.130 0.000 0.912 110 S HN 1.877 nan 8.310 nan 0.000 0.541 111 V N 0.823 120.559 119.914 -0.297 0.000 2.740 111 V HA 0.380 4.507 4.120 0.012 0.000 0.303 111 V C 0.444 176.251 176.094 -0.477 0.000 1.054 111 V CA -0.797 61.241 62.300 -0.437 0.000 1.106 111 V CB 0.104 31.465 31.823 -0.769 0.000 0.957 111 V HN 0.901 nan 8.190 nan 0.000 0.486 112 N N 2.135 120.584 118.700 -0.418 0.000 2.434 112 N HA 0.697 5.444 4.740 0.012 0.000 0.266 112 N C -0.581 174.781 175.510 -0.245 0.000 1.223 112 N CA 0.066 52.963 53.050 -0.255 0.000 0.972 112 N CB 1.686 40.107 38.487 -0.110 0.000 1.207 112 N HN 1.078 nan 8.380 nan 0.000 0.525 113 V N -1.301 118.626 119.914 0.022 0.000 3.078 113 V HA 0.853 4.981 4.120 0.012 0.000 0.311 113 V C -0.778 175.453 176.094 0.229 0.000 1.138 113 V CA -1.011 61.368 62.300 0.131 0.000 1.007 113 V CB 1.948 33.740 31.823 -0.050 0.000 1.045 113 V HN 0.907 nan 8.190 nan 0.000 0.432 114 R N 0.889 121.486 120.500 0.163 0.000 2.817 114 R HA 0.712 5.059 4.340 0.012 0.000 0.268 114 R C -0.744 175.613 176.300 0.095 0.000 1.027 114 R CA -1.002 55.115 56.100 0.028 0.000 0.928 114 R CB 1.931 32.071 30.300 -0.266 0.000 1.228 114 R HN 0.815 nan 8.270 nan 0.000 0.469 115 R N 0.756 121.318 120.500 0.104 0.000 2.410 115 R HA 0.458 4.805 4.340 0.012 0.000 0.288 115 R C -1.323 175.158 176.300 0.301 0.000 1.051 115 R CA -0.171 56.018 56.100 0.148 0.000 1.021 115 R CB 0.626 30.970 30.300 0.074 0.000 1.032 115 R HN 0.559 nan 8.270 nan 0.000 0.481 116 F N -0.232 119.730 119.950 0.020 0.000 2.668 116 F HA 0.313 4.847 4.527 0.012 0.000 0.309 116 F C 0.493 176.319 175.800 0.044 0.000 1.117 116 F CA 0.156 58.177 58.000 0.036 0.000 0.951 116 F CB 2.208 41.243 39.000 0.059 0.000 1.323 116 F HN 0.716 nan 8.300 nan 0.000 0.451 117 G N 1.502 110.257 108.800 -0.074 0.000 2.258 117 G HA2 0.075 4.043 3.960 0.012 0.000 0.274 117 G HA3 0.075 4.043 3.960 0.012 0.000 0.274 117 G C 1.122 176.037 174.900 0.026 0.000 1.021 117 G CA 1.132 46.244 45.100 0.020 0.000 0.798 117 G HN 2.236 nan 8.290 nan 0.000 0.507 118 G N -1.597 107.200 108.800 -0.005 0.000 2.168 118 G HA2 -0.298 3.669 3.960 0.012 0.000 0.263 118 G HA3 -0.298 3.669 3.960 0.012 0.000 0.263 118 G C 0.566 175.495 174.900 0.050 0.000 0.977 118 G CA 1.064 46.176 45.100 0.020 0.000 0.659 118 G HN 1.194 nan 8.290 nan 0.000 0.533 119 M N -0.079 119.561 119.600 0.067 0.000 2.245 119 M HA 0.236 4.723 4.480 0.012 0.000 0.344 119 M C 1.648 177.971 176.300 0.038 0.000 1.170 119 M CA 0.542 55.883 55.300 0.069 0.000 1.135 119 M CB 0.826 33.477 32.600 0.084 0.000 1.574 119 M HN 0.180 nan 8.290 nan 0.000 0.452 120 K N 2.408 122.815 120.400 0.012 0.000 2.001 120 K HA -0.012 4.315 4.320 0.012 0.000 0.208 120 K C 0.240 176.821 176.600 -0.032 0.000 1.048 120 K CA 1.039 57.313 56.287 -0.022 0.000 0.932 120 K CB 0.359 32.811 32.500 -0.080 0.000 0.715 120 K HN 0.527 nan 8.250 nan 0.000 0.437 121 I N 3.851 124.385 120.570 -0.059 0.000 2.321 121 I HA 0.062 4.239 4.170 0.012 0.000 0.291 121 I C -0.162 175.922 176.117 -0.055 0.000 0.998 121 I CA -0.714 60.536 61.300 -0.084 0.000 1.227 121 I CB 1.109 39.009 38.000 -0.166 0.000 1.368 121 I HN 0.269 nan 8.210 nan 0.000 0.466 122 E N 7.670 127.855 120.200 -0.025 0.000 2.414 122 E HA 0.032 4.390 4.350 0.012 0.000 0.263 122 E C 0.264 176.850 176.600 -0.023 0.000 1.000 122 E CA -0.141 56.264 56.400 0.009 0.000 0.914 122 E CB 0.779 30.504 29.700 0.040 0.000 0.948 122 E HN 0.783 nan 8.360 nan 0.000 0.444 123 R N 0.218 120.727 120.500 0.014 0.000 2.471 123 R HA 0.136 4.483 4.340 0.012 0.000 0.367 123 R C -0.832 175.554 176.300 0.144 0.000 0.799 123 R CA -0.451 55.660 56.100 0.018 0.000 1.055 123 R CB -0.096 30.135 30.300 -0.115 0.000 1.704 123 R HN 0.272 nan 8.270 nan 0.000 0.531 124 T N 2.048 116.707 114.554 0.175 0.000 2.733 124 T HA 0.300 4.658 4.350 0.012 0.000 0.294 124 T C -0.887 174.053 174.700 0.400 0.000 0.956 124 T CA -0.270 61.965 62.100 0.225 0.000 0.987 124 T CB 0.337 69.257 68.868 0.086 0.000 0.920 124 T HN 0.124 nan 8.240 nan 0.000 0.470 125 W N 4.687 125.901 121.300 -0.144 0.000 2.218 125 W HA 0.505 5.173 4.660 0.014 0.000 0.326 125 W C -0.096 176.535 176.519 0.186 0.000 1.276 125 W CA -1.638 55.554 57.345 -0.256 0.000 1.210 125 W CB -0.455 28.339 29.460 -1.110 0.000 1.143 125 W HN 0.583 nan 8.180 nan 0.000 0.563 126 F N 0.136 120.308 119.950 0.371 0.000 2.547 126 F HA 0.767 5.302 4.527 0.012 0.000 0.316 126 F C -0.102 176.011 175.800 0.522 0.000 1.121 126 F CA -2.013 56.244 58.000 0.428 0.000 0.911 126 F CB 1.099 40.209 39.000 0.184 0.000 1.179 126 F HN 0.385 nan 8.300 nan 0.000 0.443 127 A N 3.948 127.029 122.820 0.435 0.000 3.056 127 A HA 0.691 5.019 4.320 0.012 0.000 0.274 127 A C 0.991 178.697 177.584 0.204 0.000 1.661 127 A CA 0.247 52.327 52.037 0.073 0.000 1.363 127 A CB -1.410 17.487 19.000 -0.172 0.000 1.139 127 A HN 2.349 nan 8.150 nan 0.000 0.598 128 A N 1.235 124.217 122.820 0.270 0.000 5.581 128 A HA -0.264 4.064 4.320 0.012 0.000 0.286 128 A C 0.919 178.748 177.584 0.408 0.000 2.048 128 A CA 1.389 53.647 52.037 0.369 0.000 0.715 128 A CB -1.462 17.656 19.000 0.196 0.000 1.192 128 A HN 0.580 nan 8.150 nan 0.000 0.364 129 D N 0.482 121.045 120.400 0.271 0.000 2.340 129 D HA 0.340 4.987 4.640 0.012 0.000 0.217 129 D C 0.428 176.860 176.300 0.220 0.000 1.081 129 D CA 0.641 54.779 54.000 0.231 0.000 0.842 129 D CB 0.062 40.976 40.800 0.190 0.000 0.934 129 D HN 0.424 nan 8.370 nan 0.000 0.511 130 K N -0.655 119.893 120.400 0.246 0.000 3.237 130 K HA 0.190 4.517 4.320 0.012 0.000 0.197 130 K C 0.767 177.570 176.600 0.338 0.000 1.133 130 K CA -0.019 56.397 56.287 0.214 0.000 0.944 130 K CB 0.955 33.471 32.500 0.026 0.000 0.952 130 K HN -0.168 nan 8.250 nan 0.000 0.515 131 T N -0.685 114.047 114.554 0.297 0.000 2.777 131 T HA -0.124 4.234 4.350 0.012 0.000 0.266 131 T C 1.935 176.766 174.700 0.219 0.000 1.040 131 T CA 1.744 64.016 62.100 0.286 0.000 1.141 131 T CB -0.017 69.049 68.868 0.329 0.000 0.868 131 T HN 0.585 nan 8.240 nan 0.000 0.444 132 G N 0.685 109.602 108.800 0.195 0.000 2.402 132 G HA2 -0.157 3.810 3.960 0.012 0.000 0.216 132 G HA3 -0.157 3.810 3.960 0.012 0.000 0.216 132 G C 1.341 176.333 174.900 0.153 0.000 1.162 132 G CA 0.365 45.555 45.100 0.151 0.000 0.777 132 G HN 0.454 nan 8.290 nan 0.000 0.539 133 F N 1.428 121.376 119.950 -0.003 0.000 2.091 133 F HA -0.196 4.339 4.527 0.013 0.000 0.299 133 F C 2.699 178.450 175.800 -0.082 0.000 1.103 133 F CA 2.138 60.089 58.000 -0.081 0.000 1.228 133 F CB -0.240 38.569 39.000 -0.319 0.000 0.984 133 F HN 0.210 nan 8.300 nan 0.000 0.477 134 H N -0.462 118.624 119.070 0.027 0.000 2.363 134 H HA -0.075 4.489 4.556 0.012 0.000 0.301 134 H C 2.409 177.644 175.328 -0.155 0.000 1.074 134 H CA 1.834 57.799 56.048 -0.139 0.000 1.354 134 H CB -0.526 29.160 29.762 -0.127 0.000 1.397 134 H HN 0.359 nan 8.280 nan 0.000 0.516 135 M N -0.112 119.498 119.600 0.016 0.000 2.117 135 M HA -0.155 4.332 4.480 0.012 0.000 0.262 135 M C 2.406 178.731 176.300 0.041 0.000 1.065 135 M CA 1.134 56.448 55.300 0.023 0.000 1.114 135 M CB -0.187 32.467 32.600 0.089 0.000 1.361 135 M HN 0.110 nan 8.290 nan 0.000 0.408 136 L N -0.188 121.047 121.223 0.020 0.000 2.005 136 L HA -0.192 4.155 4.340 0.012 0.000 0.207 136 L C 2.453 179.288 176.870 -0.058 0.000 1.072 136 L CA 1.974 56.804 54.840 -0.018 0.000 0.744 136 L CB -0.902 41.130 42.059 -0.046 0.000 0.895 136 L HN 0.298 nan 8.230 nan 0.000 0.433 137 H N -1.495 117.427 119.070 -0.246 0.000 2.421 137 H HA -0.107 4.457 4.556 0.013 0.000 0.298 137 H C 1.930 177.213 175.328 -0.075 0.000 1.087 137 H CA 1.668 57.597 56.048 -0.198 0.000 1.330 137 H CB -0.123 29.338 29.762 -0.503 0.000 1.388 137 H HN 0.408 nan 8.280 nan 0.000 0.526 138 T N 1.449 116.023 114.554 0.034 0.000 2.708 138 T HA -0.114 4.244 4.350 0.012 0.000 0.266 138 T C 2.404 177.103 174.700 -0.002 0.000 1.037 138 T CA 0.801 62.918 62.100 0.029 0.000 1.146 138 T CB -0.311 68.592 68.868 0.058 0.000 0.865 138 T HN 0.188 nan 8.240 nan 0.000 0.435 139 L N -0.201 121.039 121.223 0.029 0.000 2.027 139 L HA -0.021 4.326 4.340 0.012 0.000 0.206 139 L C 2.324 179.171 176.870 -0.038 0.000 1.074 139 L CA 1.238 56.069 54.840 -0.015 0.000 0.745 139 L CB -0.566 41.528 42.059 0.059 0.000 0.898 139 L HN 0.183 nan 8.230 nan 0.000 0.433 140 F N 1.086 120.955 119.950 -0.134 0.000 2.095 140 F HA -0.287 4.247 4.527 0.011 0.000 0.298 140 F C 2.578 178.301 175.800 -0.127 0.000 1.104 140 F CA 1.801 59.719 58.000 -0.138 0.000 1.232 140 F CB -0.417 38.468 39.000 -0.192 0.000 0.987 140 F HN 0.075 nan 8.300 nan 0.000 0.475 141 Q N -0.760 118.869 119.800 -0.284 0.000 2.079 141 Q HA -0.152 4.195 4.340 0.012 0.000 0.200 141 Q C 2.115 177.899 176.000 -0.360 0.000 0.974 141 Q CA 2.201 57.780 55.803 -0.375 0.000 0.840 141 Q CB -0.546 28.095 28.738 -0.161 0.000 0.898 141 Q HN 0.358 nan 8.270 nan 0.000 0.430 142 T N 0.710 115.069 114.554 -0.325 0.000 2.759 142 T HA -0.199 4.158 4.350 0.012 0.000 0.269 142 T C 2.059 176.567 174.700 -0.320 0.000 1.042 142 T CA 1.520 63.364 62.100 -0.427 0.000 1.140 142 T CB -0.377 68.030 68.868 -0.770 0.000 0.864 142 T HN 0.467 nan 8.240 nan 0.000 0.455 143 S N 1.836 117.387 115.700 -0.249 0.000 2.400 143 S HA -0.047 4.430 4.470 0.012 0.000 0.232 143 S C 2.065 176.596 174.600 -0.115 0.000 1.025 143 S CA 0.790 58.947 58.200 -0.071 0.000 0.993 143 S CB -0.854 62.287 63.200 -0.098 0.000 0.808 143 S HN 0.503 nan 8.310 nan 0.000 0.478 144 L N 1.814 122.840 121.223 -0.327 0.000 2.127 144 L HA -0.196 4.152 4.340 0.012 0.000 0.211 144 L C 3.061 179.782 176.870 -0.248 0.000 1.089 144 L CA 1.805 56.459 54.840 -0.311 0.000 0.757 144 L CB -0.833 40.993 42.059 -0.388 0.000 0.899 144 L HN 0.641 nan 8.230 nan 0.000 0.434 145 Q N 0.153 119.747 119.800 -0.344 0.000 2.224 145 Q HA -0.129 4.219 4.340 0.012 0.000 0.203 145 Q C 0.264 175.995 176.000 -0.448 0.000 0.970 145 Q CA 0.905 56.440 55.803 -0.446 0.000 0.865 145 Q CB -0.320 28.037 28.738 -0.635 0.000 0.922 145 Q HN 0.313 nan 8.270 nan 0.000 0.445 146 F N 2.942 122.812 119.950 -0.134 0.000 2.421 146 F HA 0.270 4.806 4.527 0.014 0.000 0.358 146 F C -1.552 174.201 175.800 -0.078 0.000 1.115 146 F CA -2.630 55.314 58.000 -0.094 0.000 1.160 146 F CB 1.221 40.165 39.000 -0.093 0.000 1.123 146 F HN 0.010 nan 8.300 nan 0.000 0.508 147 P HA -0.065 nan 4.420 nan 0.000 0.245 147 P C 0.684 178.013 177.300 0.049 0.000 1.212 147 P CA 0.677 63.799 63.100 0.038 0.000 0.774 147 P CB 0.335 32.044 31.700 0.014 0.000 0.999 148 Q N -0.059 119.790 119.800 0.081 0.000 2.230 148 Q HA 0.075 4.423 4.340 0.012 0.000 0.202 148 Q C 0.997 177.016 176.000 0.031 0.000 0.963 148 Q CA 0.743 56.575 55.803 0.048 0.000 0.866 148 Q CB -0.435 28.323 28.738 0.034 0.000 0.931 148 Q HN 0.353 nan 8.270 nan 0.000 0.452 149 I N 1.473 122.063 120.570 0.034 0.000 2.325 149 I HA 0.124 4.301 4.170 0.012 0.000 0.291 149 I C -0.159 175.961 176.117 0.004 0.000 1.019 149 I CA -0.739 60.572 61.300 0.018 0.000 1.302 149 I CB 0.949 38.959 38.000 0.015 0.000 1.401 149 I HN -0.010 nan 8.210 nan 0.000 0.485 150 Q N 7.705 127.508 119.800 0.005 0.000 2.368 150 Q HA 0.374 4.722 4.340 0.012 0.000 0.263 150 Q C -0.946 174.989 176.000 -0.108 0.000 1.009 150 Q CA -0.497 55.258 55.803 -0.079 0.000 0.818 150 Q CB 1.009 29.704 28.738 -0.073 0.000 1.239 150 Q HN 0.482 nan 8.270 nan 0.000 0.464 151 R N 3.062 123.467 120.500 -0.158 0.000 2.490 151 R HA 0.326 4.673 4.340 0.012 0.000 0.278 151 R C -0.673 175.396 176.300 -0.385 0.000 1.069 151 R CA -0.202 55.834 56.100 -0.107 0.000 1.080 151 R CB 0.705 30.996 30.300 -0.015 0.000 1.030 151 R HN 0.578 nan 8.270 nan 0.000 0.491 152 F N 1.661 121.453 119.950 -0.264 0.000 2.371 152 F HA 0.186 4.725 4.527 0.019 0.000 0.343 152 F C -0.152 175.458 175.800 -0.317 0.000 1.150 152 F CA -0.813 56.869 58.000 -0.529 0.000 1.220 152 F CB 0.625 39.159 39.000 -0.777 0.000 1.475 152 F HN 0.269 nan 8.300 nan 0.000 0.521 153 D N 2.421 122.777 120.400 -0.074 0.000 2.382 153 D HA 0.062 4.710 4.640 0.012 0.000 0.245 153 D C 0.452 176.745 176.300 -0.011 0.000 1.120 153 D CA 0.348 54.286 54.000 -0.103 0.000 0.890 153 D CB 0.593 41.258 40.800 -0.224 0.000 1.201 153 D HN 0.500 nan 8.370 nan 0.000 0.433 154 E N 1.095 121.223 120.200 -0.121 0.000 2.240 154 E HA -0.261 4.097 4.350 0.012 0.000 0.194 154 E C -0.795 175.859 176.600 0.089 0.000 1.385 154 E CA 0.604 56.980 56.400 -0.040 0.000 0.686 154 E CB -1.293 28.350 29.700 -0.095 0.000 1.125 154 E HN 0.449 nan 8.360 nan 0.000 0.359 155 H N -0.025 119.032 119.070 -0.023 0.000 2.823 155 H HA 0.369 4.932 4.556 0.011 0.000 0.332 155 H C -1.043 174.300 175.328 0.025 0.000 0.980 155 H CA -0.587 55.472 56.048 0.019 0.000 1.286 155 H CB 0.766 30.548 29.762 0.034 0.000 1.541 155 H HN 0.246 nan 8.280 nan 0.000 0.521 156 F N 4.673 124.603 119.950 -0.034 0.000 2.390 156 F HA 0.361 4.895 4.527 0.011 0.000 0.361 156 F C -0.431 175.358 175.800 -0.018 0.000 1.124 156 F CA -0.678 57.299 58.000 -0.039 0.000 1.149 156 F CB 0.417 39.367 39.000 -0.083 0.000 1.160 156 F HN 0.249 nan 8.300 nan 0.000 0.501 157 V N 8.292 128.089 119.914 -0.194 0.000 2.572 157 V HA -0.019 4.108 4.120 0.012 0.000 0.291 157 V C 0.880 176.995 176.094 0.035 0.000 1.039 157 V CA 0.281 62.536 62.300 -0.073 0.000 1.055 157 V CB 1.101 32.836 31.823 -0.146 0.000 0.969 157 V HN 0.888 nan 8.190 nan 0.000 0.482 158 L N 2.370 123.679 121.223 0.143 0.000 2.269 158 L HA 0.397 4.745 4.340 0.012 0.000 0.200 158 L C 0.612 177.578 176.870 0.160 0.000 1.069 158 L CA 0.741 55.712 54.840 0.219 0.000 0.804 158 L CB 0.231 42.395 42.059 0.175 0.000 0.987 158 L HN 0.622 nan 8.230 nan 0.000 0.468 159 D N -1.182 119.279 120.400 0.102 0.000 2.599 159 D HA 0.417 5.064 4.640 0.012 0.000 0.252 159 D C -1.090 175.240 176.300 0.050 0.000 1.232 159 D CA -0.549 53.517 54.000 0.110 0.000 0.819 159 D CB 2.217 43.115 40.800 0.163 0.000 1.401 159 D HN 0.010 nan 8.370 nan 0.000 0.429 160 I N -1.425 119.158 120.570 0.021 0.000 2.918 160 I HA 0.553 4.731 4.170 0.012 0.000 0.316 160 I C -0.415 175.677 176.117 -0.041 0.000 1.001 160 I CA -0.883 60.364 61.300 -0.088 0.000 1.142 160 I CB 1.074 38.926 38.000 -0.246 0.000 1.356 160 I HN 0.142 nan 8.210 nan 0.000 0.524 161 L N 3.849 125.042 121.223 -0.050 0.000 2.325 161 L HA 0.648 4.996 4.340 0.012 0.000 0.281 161 L C -0.873 175.987 176.870 -0.017 0.000 1.004 161 L CA -0.831 54.018 54.840 0.015 0.000 0.823 161 L CB 1.724 43.798 42.059 0.024 0.000 1.236 161 L HN 0.383 nan 8.230 nan 0.000 0.415 162 V N 1.597 121.533 119.914 0.037 0.000 2.577 162 V HA 0.432 4.560 4.120 0.012 0.000 0.303 162 V C -1.147 174.993 176.094 0.076 0.000 1.042 162 V CA -0.436 61.884 62.300 0.034 0.000 0.872 162 V CB 2.269 34.105 31.823 0.021 0.000 0.998 162 V HN 0.701 nan 8.190 nan 0.000 0.423 163 D N 2.721 123.165 120.400 0.073 0.000 2.649 163 D HA 0.470 5.117 4.640 0.012 0.000 0.249 163 D C -0.157 176.184 176.300 0.069 0.000 1.112 163 D CA -0.139 53.900 54.000 0.064 0.000 0.850 163 D CB 1.738 42.567 40.800 0.049 0.000 1.399 163 D HN 0.684 nan 8.370 nan 0.000 0.503 164 D N 2.917 123.349 120.400 0.053 0.000 2.689 164 D HA -0.144 4.504 4.640 0.012 0.000 0.237 164 D C 0.903 177.244 176.300 0.068 0.000 1.148 164 D CA 1.980 56.008 54.000 0.046 0.000 0.656 164 D CB -0.981 39.837 40.800 0.030 0.000 1.050 164 D HN 0.890 nan 8.370 nan 0.000 0.426 165 G N -0.358 108.481 108.800 0.065 0.000 2.148 165 G HA2 -0.335 3.632 3.960 0.012 0.000 0.254 165 G HA3 -0.335 3.632 3.960 0.012 0.000 0.254 165 G C 0.097 175.042 174.900 0.074 0.000 0.981 165 G CA 0.504 45.638 45.100 0.056 0.000 0.670 165 G HN 0.725 nan 8.290 nan 0.000 0.528 166 H N -1.226 117.833 119.070 -0.018 0.000 2.768 166 H HA 0.550 5.110 4.556 0.006 0.000 0.371 166 H C -0.648 174.660 175.328 -0.033 0.000 1.151 166 H CA -0.357 55.674 56.048 -0.028 0.000 1.165 166 H CB 2.363 32.115 29.762 -0.016 0.000 1.722 166 H HN 0.198 nan 8.280 nan 0.000 0.543 167 V N 4.972 124.808 119.914 -0.131 0.000 2.432 167 V HA 0.228 4.356 4.120 0.012 0.000 0.275 167 V C 0.452 176.586 176.094 0.067 0.000 1.043 167 V CA -0.129 62.133 62.300 -0.063 0.000 0.925 167 V CB 0.884 32.617 31.823 -0.150 0.000 0.985 167 V HN 0.721 nan 8.190 nan 0.000 0.466 168 R N 4.432 124.963 120.500 0.051 0.000 2.373 168 R HA 0.446 4.793 4.340 0.012 0.000 0.221 168 R C 0.538 176.856 176.300 0.030 0.000 0.893 168 R CA 0.767 56.906 56.100 0.066 0.000 1.049 168 R CB 0.994 31.329 30.300 0.059 0.000 1.119 168 R HN 0.915 nan 8.270 nan 0.000 0.535 169 G N 0.551 109.352 108.800 0.002 0.000 2.452 169 G HA2 0.286 4.253 3.960 0.012 0.000 0.224 169 G HA3 0.286 4.253 3.960 0.012 0.000 0.224 169 G C -1.917 172.962 174.900 -0.035 0.000 1.208 169 G CA -0.350 44.741 45.100 -0.014 0.000 0.946 169 G HN 0.035 nan 8.290 nan 0.000 0.481 170 L N -2.189 119.011 121.223 -0.038 0.000 2.710 170 L HA 0.891 5.239 4.340 0.012 0.000 0.260 170 L C -1.396 175.459 176.870 -0.024 0.000 0.993 170 L CA -1.004 53.813 54.840 -0.039 0.000 0.877 170 L CB 0.856 42.874 42.059 -0.069 0.000 1.461 170 L HN 0.732 nan 8.230 nan 0.000 0.413 171 V N 0.949 120.864 119.914 0.002 0.000 2.459 171 V HA 0.948 5.076 4.120 0.012 0.000 0.295 171 V C 0.386 176.498 176.094 0.030 0.000 1.029 171 V CA 0.056 62.369 62.300 0.022 0.000 0.874 171 V CB 1.241 33.089 31.823 0.042 0.000 0.985 171 V HN 1.198 nan 8.190 nan 0.000 0.438 172 A N 5.034 127.877 122.820 0.039 0.000 2.498 172 A HA 0.881 5.209 4.320 0.012 0.000 0.298 172 A C -0.824 176.811 177.584 0.085 0.000 1.075 172 A CA -0.716 51.364 52.037 0.070 0.000 0.714 172 A CB 1.954 20.982 19.000 0.047 0.000 1.299 172 A HN 0.884 nan 8.150 nan 0.000 0.407 173 M N 2.428 122.077 119.600 0.082 0.000 2.157 173 M HA 0.261 4.749 4.480 0.012 0.000 0.354 173 M C -0.214 175.972 176.300 -0.190 0.000 1.170 173 M CA -0.532 54.759 55.300 -0.016 0.000 1.060 173 M CB 0.599 33.173 32.600 -0.043 0.000 1.615 173 M HN 0.798 nan 8.290 nan 0.000 0.460 174 N N 5.918 124.422 118.700 -0.327 0.000 2.416 174 N HA 0.034 4.782 4.740 0.012 0.000 0.271 174 N C 0.613 175.915 175.510 -0.347 0.000 1.245 174 N CA 0.217 52.869 53.050 -0.663 0.000 0.940 174 N CB 0.583 38.875 38.487 -0.324 0.000 1.175 174 N HN 0.866 nan 8.380 nan 0.000 0.483 175 M N 2.581 121.976 119.600 -0.342 0.000 2.254 175 M HA -0.131 4.356 4.480 0.012 0.000 0.265 175 M C 1.734 177.932 176.300 -0.169 0.000 1.066 175 M CA 1.076 56.191 55.300 -0.308 0.000 1.123 175 M CB -0.204 32.119 32.600 -0.460 0.000 1.388 175 M HN 0.417 nan 8.290 nan 0.000 0.425 176 M N 1.109 120.713 119.600 0.006 0.000 2.160 176 M HA -0.049 4.438 4.480 0.012 0.000 0.264 176 M C 1.927 178.261 176.300 0.056 0.000 1.073 176 M CA 1.687 57.079 55.300 0.153 0.000 1.142 176 M CB -0.172 32.533 32.600 0.175 0.000 1.358 176 M HN 0.029 nan 8.290 nan 0.000 0.422 177 E N -0.305 119.898 120.200 0.005 0.000 2.347 177 E HA 0.068 4.426 4.350 0.012 0.000 0.196 177 E C 1.382 177.971 176.600 -0.018 0.000 1.008 177 E CA 0.912 57.315 56.400 0.005 0.000 0.852 177 E CB -0.490 29.219 29.700 0.015 0.000 0.783 177 E HN 0.687 nan 8.360 nan 0.000 0.505 178 G N 2.195 110.961 108.800 -0.057 0.000 2.180 178 G HA2 -0.318 3.650 3.960 0.012 0.000 0.263 178 G HA3 -0.318 3.650 3.960 0.012 0.000 0.263 178 G C 0.586 175.453 174.900 -0.054 0.000 0.989 178 G CA 1.162 46.218 45.100 -0.073 0.000 0.692 178 G HN 0.437 nan 8.290 nan 0.000 0.526 179 T N -1.749 112.783 114.554 -0.038 0.000 2.943 179 T HA 0.756 5.113 4.350 0.012 0.000 0.284 179 T C 0.310 175.014 174.700 0.008 0.000 1.015 179 T CA -1.067 61.031 62.100 -0.003 0.000 1.042 179 T CB 2.278 71.165 68.868 0.032 0.000 1.055 179 T HN 0.385 nan 8.240 nan 0.000 0.500 180 L N 1.689 122.931 121.223 0.033 0.000 2.343 180 L HA 0.753 5.100 4.340 0.012 0.000 0.275 180 L C -0.546 176.384 176.870 0.100 0.000 1.056 180 L CA -1.058 53.813 54.840 0.051 0.000 0.804 180 L CB 1.709 43.791 42.059 0.038 0.000 1.203 180 L HN 0.546 nan 8.230 nan 0.000 0.440 181 V N 1.584 121.570 119.914 0.119 0.000 3.130 181 V HA 0.451 4.579 4.120 0.012 0.000 0.310 181 V C -0.873 175.292 176.094 0.119 0.000 1.158 181 V CA -0.744 61.667 62.300 0.184 0.000 1.029 181 V CB 2.166 34.137 31.823 0.247 0.000 1.057 181 V HN 0.851 nan 8.190 nan 0.000 0.436 182 Q N 2.181 122.069 119.800 0.146 0.000 2.269 182 Q HA 0.669 5.016 4.340 0.012 0.000 0.263 182 Q C -2.081 173.971 176.000 0.087 0.000 0.983 182 Q CA -0.487 55.362 55.803 0.076 0.000 0.777 182 Q CB 1.965 30.740 28.738 0.063 0.000 1.273 182 Q HN 0.767 nan 8.270 nan 0.000 0.440 183 I N 3.150 123.715 120.570 -0.008 0.000 2.412 183 I HA 0.540 4.717 4.170 0.012 0.000 0.296 183 I C -0.221 175.889 176.117 -0.011 0.000 0.987 183 I CA -1.135 60.146 61.300 -0.032 0.000 1.180 183 I CB 1.442 39.304 38.000 -0.230 0.000 1.340 183 I HN 0.487 nan 8.210 nan 0.000 0.455 184 R N 4.642 125.155 120.500 0.022 0.000 2.387 184 R HA 0.847 5.194 4.340 0.012 0.000 0.314 184 R C -1.062 175.251 176.300 0.021 0.000 0.958 184 R CA -0.848 55.265 56.100 0.022 0.000 0.846 184 R CB 1.785 32.103 30.300 0.031 0.000 1.147 184 R HN 0.809 nan 8.270 nan 0.000 0.447 185 A N 2.265 125.096 122.820 0.018 0.000 2.566 185 A HA 0.376 4.703 4.320 0.012 0.000 0.297 185 A C -0.366 177.246 177.584 0.046 0.000 1.059 185 A CA -0.693 51.358 52.037 0.024 0.000 0.691 185 A CB 1.319 20.320 19.000 0.002 0.000 1.282 185 A HN 0.556 nan 8.150 nan 0.000 0.401 186 N N 0.232 118.972 118.700 0.067 0.000 2.336 186 N HA 0.387 5.135 4.740 0.012 0.000 0.189 186 N C 0.021 175.620 175.510 0.148 0.000 1.113 186 N CA 1.141 54.265 53.050 0.123 0.000 0.858 186 N CB 0.800 39.355 38.487 0.114 0.000 0.970 186 N HN 0.943 nan 8.380 nan 0.000 0.471 187 A N -0.434 122.444 122.820 0.096 0.000 2.486 187 A HA 0.722 5.050 4.320 0.012 0.000 0.300 187 A C -1.181 176.449 177.584 0.076 0.000 1.048 187 A CA -0.480 51.631 52.037 0.124 0.000 0.696 187 A CB 1.681 20.748 19.000 0.113 0.000 1.278 187 A HN -0.110 nan 8.150 nan 0.000 0.405 188 V N 1.770 121.755 119.914 0.119 0.000 2.733 188 V HA 0.512 4.639 4.120 0.012 0.000 0.306 188 V C -0.799 175.357 176.094 0.102 0.000 1.084 188 V CA -0.512 61.817 62.300 0.048 0.000 0.905 188 V CB 2.036 33.851 31.823 -0.014 0.000 1.010 188 V HN 0.785 nan 8.190 nan 0.000 0.424 189 V N 5.311 125.242 119.914 0.028 0.000 2.417 189 V HA 0.500 4.627 4.120 0.012 0.000 0.291 189 V C 0.013 176.105 176.094 -0.004 0.000 1.024 189 V CA -0.564 61.760 62.300 0.041 0.000 0.861 189 V CB 1.798 33.603 31.823 -0.030 0.000 0.985 189 V HN 0.740 nan 8.190 nan 0.000 0.436 190 M N 4.200 123.799 119.600 -0.001 0.000 2.108 190 M HA 0.540 5.028 4.480 0.012 0.000 0.354 190 M C 0.140 176.421 176.300 -0.033 0.000 1.229 190 M CA -0.133 55.140 55.300 -0.044 0.000 1.081 190 M CB 1.309 33.868 32.600 -0.068 0.000 1.606 190 M HN 0.754 nan 8.290 nan 0.000 0.467 191 A N 2.352 125.146 122.820 -0.043 0.000 3.176 191 A HA 0.340 4.667 4.320 0.012 0.000 0.265 191 A C 0.838 178.398 177.584 -0.041 0.000 0.936 191 A CA -0.475 51.548 52.037 -0.024 0.000 1.033 191 A CB -0.343 18.653 19.000 -0.006 0.000 1.158 191 A HN 0.815 nan 8.150 nan 0.000 0.485 192 T N -2.992 111.521 114.554 -0.069 0.000 3.107 192 T HA 0.480 4.838 4.350 0.012 0.000 0.249 192 T C 1.121 175.774 174.700 -0.078 0.000 1.096 192 T CA 0.777 62.822 62.100 -0.092 0.000 1.012 192 T CB -0.043 68.742 68.868 -0.140 0.000 0.977 192 T HN 2.101 nan 8.240 nan 0.000 0.527 193 G N -0.119 108.645 108.800 -0.059 0.000 2.685 193 G HA2 0.291 4.258 3.960 0.012 0.000 0.387 193 G HA3 0.291 4.258 3.960 0.012 0.000 0.387 193 G C 0.063 174.896 174.900 -0.111 0.000 1.324 193 G CA -0.564 44.504 45.100 -0.055 0.000 0.878 193 G HN 0.756 nan 8.290 nan 0.000 0.527 194 G N -1.488 107.222 108.800 -0.150 0.000 2.531 194 G HA2 0.718 4.686 3.960 0.012 0.000 0.253 194 G HA3 0.718 4.686 3.960 0.012 0.000 0.253 194 G C 0.781 175.579 174.900 -0.169 0.000 1.439 194 G CA 0.833 45.803 45.100 -0.216 0.000 1.056 194 G HN 2.148 nan 8.290 nan 0.000 0.555 195 A N -1.101 121.620 122.820 -0.166 0.000 2.610 195 A HA 0.550 4.877 4.320 0.012 0.000 0.290 195 A C 1.510 179.054 177.584 -0.066 0.000 1.001 195 A CA 0.799 52.773 52.037 -0.106 0.000 1.004 195 A CB 0.175 19.123 19.000 -0.087 0.000 1.220 195 A HN 1.056 nan 8.150 nan 0.000 0.507 196 G N -0.256 108.483 108.800 -0.102 0.000 2.679 196 G HA2 -0.072 3.896 3.960 0.012 0.000 0.212 196 G HA3 -0.072 3.896 3.960 0.012 0.000 0.212 196 G C 1.173 176.079 174.900 0.010 0.000 1.137 196 G CA 0.099 45.169 45.100 -0.049 0.000 0.787 196 G HN 0.378 nan 8.290 nan 0.000 0.534 197 R N 0.595 121.075 120.500 -0.033 0.000 2.335 197 R HA 0.056 4.404 4.340 0.012 0.000 0.223 197 R C 2.082 178.365 176.300 -0.028 0.000 0.940 197 R CA 0.419 56.501 56.100 -0.030 0.000 1.086 197 R CB 0.141 30.411 30.300 -0.050 0.000 1.073 197 R HN 0.466 nan 8.270 nan 0.000 0.504 198 V N -2.919 116.977 119.914 -0.030 0.000 3.541 198 V HA 0.098 4.226 4.120 0.012 0.000 0.267 198 V C 0.435 176.384 176.094 -0.243 0.000 1.213 198 V CA 0.239 62.459 62.300 -0.134 0.000 1.149 198 V CB -0.764 30.948 31.823 -0.185 0.000 0.822 198 V HN -0.058 nan 8.190 nan 0.000 0.462 199 Y N 0.546 120.780 120.300 -0.110 0.000 2.334 199 Y HA 0.497 5.054 4.550 0.012 0.000 0.328 199 Y C 1.739 177.540 175.900 -0.164 0.000 1.130 199 Y CA -0.448 57.581 58.100 -0.118 0.000 1.163 199 Y CB 1.358 39.745 38.460 -0.122 0.000 1.207 199 Y HN -0.093 nan 8.280 nan 0.000 0.471 200 R N 1.930 122.376 120.500 -0.091 0.000 2.083 200 R HA -0.125 4.222 4.340 0.012 0.000 0.237 200 R C -0.748 175.296 176.300 -0.428 0.000 1.137 200 R CA 1.488 57.375 56.100 -0.356 0.000 0.951 200 R CB -0.062 29.872 30.300 -0.609 0.000 0.851 200 R HN 0.696 nan 8.270 nan 0.000 0.434 201 Y N 0.724 121.053 120.300 0.048 0.000 2.328 201 Y HA 0.279 4.837 4.550 0.013 0.000 0.336 201 Y C -0.377 175.491 175.900 -0.054 0.000 0.960 201 Y CA -1.133 56.963 58.100 -0.007 0.000 1.134 201 Y CB 1.448 39.900 38.460 -0.013 0.000 1.166 201 Y HN 0.274 nan 8.280 nan 0.000 0.464 202 N N -2.056 116.688 118.700 0.073 0.000 2.934 202 N HA 0.295 5.043 4.740 0.012 0.000 0.253 202 N C -0.089 175.414 175.510 -0.012 0.000 1.466 202 N CA -0.759 52.276 53.050 -0.026 0.000 0.858 202 N CB 1.119 39.572 38.487 -0.057 0.000 1.459 202 N HN 0.302 nan 8.380 nan 0.000 0.532 203 T N -3.464 111.093 114.554 0.006 0.000 3.107 203 T HA 0.230 4.588 4.350 0.012 0.000 0.249 203 T C -0.150 174.591 174.700 0.068 0.000 1.096 203 T CA -0.085 62.049 62.100 0.056 0.000 1.012 203 T CB -1.064 67.908 68.868 0.174 0.000 0.977 203 T HN 0.514 nan 8.240 nan 0.000 0.527 204 N N 0.762 119.408 118.700 -0.089 0.000 2.495 204 N HA 0.509 5.257 4.740 0.012 0.000 0.280 204 N C 0.454 175.848 175.510 -0.193 0.000 1.168 204 N CA -0.957 51.863 53.050 -0.383 0.000 0.978 204 N CB 0.878 39.092 38.487 -0.456 0.000 1.191 204 N HN 0.335 nan 8.380 nan 0.000 0.497 205 G N -0.600 108.098 108.800 -0.171 0.000 2.614 205 G HA2 0.104 4.072 3.960 0.012 0.000 0.239 205 G HA3 0.104 4.072 3.960 0.012 0.000 0.239 205 G C 1.092 175.961 174.900 -0.051 0.000 1.240 205 G CA -0.403 44.703 45.100 0.011 0.000 0.842 205 G HN 0.641 nan 8.290 nan 0.000 0.584 206 G N 0.146 108.935 108.800 -0.018 0.000 2.501 206 G HA2 -0.175 3.793 3.960 0.012 0.000 0.220 206 G HA3 -0.175 3.793 3.960 0.012 0.000 0.220 206 G C 1.422 176.290 174.900 -0.054 0.000 1.114 206 G CA 1.113 46.183 45.100 -0.050 0.000 0.757 206 G HN 0.894 nan 8.290 nan 0.000 0.559 207 I N -1.716 118.842 120.570 -0.021 0.000 3.812 207 I HA 0.295 4.472 4.170 0.012 0.000 0.320 207 I C -0.091 176.006 176.117 -0.033 0.000 1.276 207 I CA -0.146 61.151 61.300 -0.003 0.000 1.164 207 I CB 0.485 38.504 38.000 0.031 0.000 1.009 207 I HN -0.177 nan 8.210 nan 0.000 0.431 208 V N 2.764 122.634 119.914 -0.073 0.000 2.154 208 V HA 0.158 4.285 4.120 0.012 0.000 0.265 208 V C 1.139 177.181 176.094 -0.086 0.000 1.293 208 V CA 0.309 62.546 62.300 -0.104 0.000 1.205 208 V CB -0.184 31.520 31.823 -0.198 0.000 1.306 208 V HN 0.530 nan 8.190 nan 0.000 0.479 209 T N -2.103 112.420 114.554 -0.053 0.000 3.044 209 T HA 0.332 4.689 4.350 0.012 0.000 0.260 209 T C 1.496 176.183 174.700 -0.021 0.000 1.019 209 T CA 0.421 62.509 62.100 -0.020 0.000 0.921 209 T CB 0.705 69.593 68.868 0.033 0.000 1.053 209 T HN 0.996 nan 8.240 nan 0.000 0.533 210 G N 2.209 110.969 108.800 -0.067 0.000 2.143 210 G HA2 -0.275 3.692 3.960 0.012 0.000 0.248 210 G HA3 -0.275 3.692 3.960 0.012 0.000 0.248 210 G C 0.489 175.292 174.900 -0.162 0.000 0.991 210 G CA 0.262 45.304 45.100 -0.097 0.000 0.689 210 G HN 0.471 nan 8.290 nan 0.000 0.522 211 D N 0.442 120.727 120.400 -0.191 0.000 2.149 211 D HA -0.125 4.522 4.640 0.012 0.000 0.194 211 D C 2.437 178.394 176.300 -0.572 0.000 1.001 211 D CA 1.973 55.691 54.000 -0.470 0.000 0.849 211 D CB -0.795 39.829 40.800 -0.293 0.000 0.939 211 D HN 0.620 nan 8.370 nan 0.000 0.449 212 G N 0.305 108.907 108.800 -0.329 0.000 2.402 212 G HA2 -0.219 3.749 3.960 0.012 0.000 0.216 212 G HA3 -0.219 3.749 3.960 0.012 0.000 0.216 212 G C 1.696 176.465 174.900 -0.218 0.000 1.162 212 G CA 0.545 45.491 45.100 -0.256 0.000 0.777 212 G HN 0.197 nan 8.290 nan 0.000 0.539 213 M N 0.829 120.313 119.600 -0.193 0.000 2.159 213 M HA 0.041 4.528 4.480 0.012 0.000 0.263 213 M C 2.829 179.050 176.300 -0.133 0.000 1.063 213 M CA 1.303 56.514 55.300 -0.148 0.000 1.110 213 M CB -0.386 32.138 32.600 -0.126 0.000 1.374 213 M HN 0.285 nan 8.290 nan 0.000 0.411 214 G N 0.419 109.113 108.800 -0.177 0.000 2.446 214 G HA2 -0.237 3.731 3.960 0.012 0.000 0.217 214 G HA3 -0.237 3.731 3.960 0.012 0.000 0.217 214 G C 1.505 176.392 174.900 -0.022 0.000 1.168 214 G CA 0.876 45.942 45.100 -0.057 0.000 0.771 214 G HN 0.366 nan 8.290 nan 0.000 0.551 215 M N 0.787 120.306 119.600 -0.135 0.000 2.149 215 M HA -0.053 4.434 4.480 0.012 0.000 0.261 215 M C 3.050 179.408 176.300 0.096 0.000 1.064 215 M CA 1.441 56.753 55.300 0.020 0.000 1.102 215 M CB -0.329 32.233 32.600 -0.063 0.000 1.369 215 M HN 0.333 nan 8.290 nan 0.000 0.408 216 A N 0.634 123.447 122.820 -0.012 0.000 1.898 216 A HA -0.109 4.219 4.320 0.012 0.000 0.216 216 A C 2.132 179.734 177.584 0.029 0.000 1.181 216 A CA 1.240 53.270 52.037 -0.012 0.000 0.620 216 A CB -0.907 18.043 19.000 -0.083 0.000 0.819 216 A HN 0.436 nan 8.150 nan 0.000 0.442 217 L N -0.403 120.820 121.223 0.000 0.000 2.013 217 L HA -0.237 4.111 4.340 0.012 0.000 0.212 217 L C 2.850 179.744 176.870 0.040 0.000 1.073 217 L CA 1.663 56.505 54.840 0.004 0.000 0.753 217 L CB -0.586 41.471 42.059 -0.004 0.000 0.890 217 L HN 0.354 nan 8.230 nan 0.000 0.432 218 S N -1.533 114.203 115.700 0.060 0.000 2.407 218 S HA -0.219 4.258 4.470 0.012 0.000 0.235 218 S C 1.354 175.863 174.600 -0.151 0.000 1.036 218 S CA 1.171 59.353 58.200 -0.030 0.000 1.013 218 S CB -0.364 62.819 63.200 -0.029 0.000 0.820 218 S HN 0.493 nan 8.310 nan 0.000 0.476 219 H N -1.030 118.042 119.070 0.004 0.000 2.486 219 H HA 0.321 4.882 4.556 0.008 0.000 0.284 219 H C 1.491 176.829 175.328 0.017 0.000 1.103 219 H CA 0.410 56.461 56.048 0.005 0.000 1.089 219 H CB 0.233 29.988 29.762 -0.012 0.000 1.603 219 H HN 0.503 nan 8.280 nan 0.000 0.557 220 G N 1.329 110.202 108.800 0.122 0.000 2.159 220 G HA2 -0.294 3.674 3.960 0.012 0.000 0.256 220 G HA3 -0.294 3.674 3.960 0.012 0.000 0.256 220 G C 0.303 175.303 174.900 0.167 0.000 0.977 220 G CA 0.314 45.510 45.100 0.160 0.000 0.652 220 G HN 0.219 nan 8.290 nan 0.000 0.531 221 V N 3.042 122.987 119.914 0.051 0.000 2.488 221 V HA 0.453 4.580 4.120 0.012 0.000 0.277 221 V C -1.034 174.910 176.094 -0.250 0.000 1.046 221 V CA -1.032 61.227 62.300 -0.067 0.000 0.986 221 V CB 1.361 33.136 31.823 -0.080 0.000 0.989 221 V HN 0.277 nan 8.190 nan 0.000 0.475 222 P HA 0.372 nan 4.420 nan 0.000 0.284 222 P C -0.852 176.194 177.300 -0.423 0.000 1.258 222 P CA -0.536 62.090 63.100 -0.789 0.000 0.824 222 P CB 1.279 32.080 31.700 -1.498 0.000 1.038 223 L N 1.862 122.888 121.223 -0.328 0.000 2.350 223 L HA 0.497 4.844 4.340 0.012 0.000 0.275 223 L C 1.106 177.851 176.870 -0.209 0.000 1.099 223 L CA -0.574 54.136 54.840 -0.216 0.000 0.808 223 L CB 0.693 42.660 42.059 -0.154 0.000 1.149 223 L HN 0.432 nan 8.230 nan 0.000 0.442 224 R N 2.038 122.443 120.500 -0.158 0.000 2.562 224 R HA 0.251 4.598 4.340 0.012 0.000 0.298 224 R C -0.755 175.530 176.300 -0.025 0.000 0.961 224 R CA -0.378 55.651 56.100 -0.118 0.000 0.881 224 R CB 1.130 31.321 30.300 -0.182 0.000 1.159 224 R HN 0.682 nan 8.270 nan 0.000 0.450 225 D N 3.924 124.370 120.400 0.077 0.000 2.870 225 D HA -0.171 4.476 4.640 0.012 0.000 0.228 225 D C 0.760 177.189 176.300 0.215 0.000 1.147 225 D CA 0.818 54.974 54.000 0.260 0.000 0.757 225 D CB -0.370 40.615 40.800 0.308 0.000 1.091 225 D HN 0.587 nan 8.370 nan 0.000 0.429 226 M N -0.152 119.480 119.600 0.054 0.000 2.279 226 M HA -0.140 4.347 4.480 0.012 0.000 0.264 226 M C 2.165 178.440 176.300 -0.042 0.000 1.062 226 M CA 1.398 56.698 55.300 -0.000 0.000 1.099 226 M CB -0.632 31.945 32.600 -0.038 0.000 1.394 226 M HN 0.326 nan 8.290 nan 0.000 0.426 227 E N -0.057 120.037 120.200 -0.178 0.000 2.409 227 E HA -0.137 4.220 4.350 0.012 0.000 0.198 227 E C -0.216 176.158 176.600 -0.378 0.000 1.024 227 E CA 0.464 56.648 56.400 -0.360 0.000 0.861 227 E CB -0.584 28.708 29.700 -0.680 0.000 0.788 227 E HN 0.378 nan 8.360 nan 0.000 0.521 228 F N 1.766 121.733 119.950 0.028 0.000 2.406 228 F HA 0.256 4.790 4.527 0.012 0.000 0.358 228 F C -0.221 175.622 175.800 0.072 0.000 1.161 228 F CA -0.702 57.342 58.000 0.073 0.000 1.185 228 F CB 1.125 40.175 39.000 0.083 0.000 1.421 228 F HN -0.293 nan 8.300 nan 0.000 0.576 229 V N 3.375 123.402 119.914 0.189 0.000 2.357 229 V HA 0.240 4.368 4.120 0.012 0.000 0.284 229 V C -0.032 176.153 176.094 0.151 0.000 1.018 229 V CA -0.959 61.412 62.300 0.119 0.000 0.841 229 V CB 1.448 33.316 31.823 0.075 0.000 0.991 229 V HN 0.613 nan 8.190 nan 0.000 0.437 230 Q N 3.346 123.236 119.800 0.150 0.000 2.304 230 Q HA 0.300 4.647 4.340 0.012 0.000 0.260 230 Q C -1.560 174.532 176.000 0.153 0.000 0.965 230 Q CA -0.114 55.809 55.803 0.200 0.000 0.898 230 Q CB 0.662 29.546 28.738 0.243 0.000 1.196 230 Q HN 0.670 nan 8.270 nan 0.000 0.402 231 Y N 1.862 122.185 120.300 0.037 0.000 2.419 231 Y HA 0.277 4.835 4.550 0.013 0.000 0.328 231 Y C 0.042 175.977 175.900 0.058 0.000 1.162 231 Y CA -0.592 57.515 58.100 0.013 0.000 1.174 231 Y CB 1.371 39.782 38.460 -0.080 0.000 1.228 231 Y HN 0.610 nan 8.280 nan 0.000 0.473 232 H N 3.905 123.008 119.070 0.055 0.000 2.472 232 H HA 0.239 4.802 4.556 0.012 0.000 0.338 232 H C -2.024 173.274 175.328 -0.050 0.000 1.133 232 H CA -2.364 53.641 56.048 -0.071 0.000 1.216 232 H CB 2.453 32.030 29.762 -0.309 0.000 1.497 232 H HN 0.384 nan 8.280 nan 0.000 0.500 233 P HA -0.046 nan 4.420 nan 0.000 0.219 233 P C -0.043 177.216 177.300 -0.068 0.000 1.150 233 P CA 1.114 64.118 63.100 -0.159 0.000 0.814 233 P CB 0.269 31.848 31.700 -0.201 0.000 0.787 234 T N -2.602 112.010 114.554 0.095 0.000 3.064 234 T HA 0.702 5.060 4.350 0.012 0.000 0.367 234 T C -0.007 174.739 174.700 0.077 0.000 1.202 234 T CA -0.826 61.323 62.100 0.081 0.000 1.133 234 T CB 0.870 69.789 68.868 0.084 0.000 1.074 234 T HN -0.010 nan 8.240 nan 0.000 0.519 235 G N 2.764 111.549 108.800 -0.026 0.000 2.519 235 G HA2 0.642 4.609 3.960 0.012 0.000 0.307 235 G HA3 0.642 4.609 3.960 0.012 0.000 0.307 235 G C -0.497 174.351 174.900 -0.087 0.000 1.266 235 G CA -1.179 43.877 45.100 -0.073 0.000 0.970 235 G HN 0.778 nan 8.290 nan 0.000 0.481 236 L N 1.210 122.385 121.223 -0.081 0.000 2.467 236 L HA 0.223 4.570 4.340 0.012 0.000 0.270 236 L C -1.925 174.882 176.870 -0.105 0.000 1.205 236 L CA -1.364 53.436 54.840 -0.066 0.000 0.828 236 L CB 0.815 42.849 42.059 -0.043 0.000 1.101 236 L HN 0.229 nan 8.230 nan 0.000 0.479 237 P HA 0.123 nan 4.420 nan 0.000 0.275 237 P C 0.668 177.878 177.300 -0.150 0.000 1.227 237 P CA 0.609 63.610 63.100 -0.166 0.000 0.781 237 P CB 1.174 32.805 31.700 -0.114 0.000 0.906 238 G N 2.530 111.168 108.800 -0.271 0.000 4.825 238 G HA2 -0.386 3.582 3.960 0.012 0.000 0.224 238 G HA3 -0.386 3.582 3.960 0.012 0.000 0.224 238 G C 1.617 176.552 174.900 0.058 0.000 1.356 238 G CA 0.971 46.019 45.100 -0.086 0.000 0.966 238 G HN 0.607 nan 8.290 nan 0.000 0.690 239 S N 1.030 116.730 115.700 -0.001 0.000 2.402 239 S HA 0.282 4.759 4.470 0.012 0.000 0.229 239 S C 2.711 177.303 174.600 -0.013 0.000 1.021 239 S CA 1.960 60.149 58.200 -0.019 0.000 0.974 239 S CB -0.609 62.523 63.200 -0.114 0.000 0.800 239 S HN 2.709 nan 8.310 nan 0.000 0.484 240 G N 1.218 109.994 108.800 -0.041 0.000 2.153 240 G HA2 -0.253 3.714 3.960 0.012 0.000 0.252 240 G HA3 -0.253 3.714 3.960 0.012 0.000 0.252 240 G C 0.082 174.939 174.900 -0.072 0.000 0.994 240 G CA 0.317 45.391 45.100 -0.043 0.000 0.698 240 G HN 0.651 nan 8.290 nan 0.000 0.521 241 I N 0.461 120.966 120.570 -0.108 0.000 2.648 241 I HA 0.160 4.338 4.170 0.012 0.000 0.284 241 I C 1.122 177.160 176.117 -0.132 0.000 1.153 241 I CA -0.700 60.520 61.300 -0.134 0.000 1.426 241 I CB 0.652 38.522 38.000 -0.216 0.000 1.381 241 I HN 0.145 nan 8.210 nan 0.000 0.571 242 L N 8.314 129.448 121.223 -0.148 0.000 2.453 242 L HA 0.147 4.495 4.340 0.012 0.000 0.272 242 L C -0.118 176.645 176.870 -0.179 0.000 1.182 242 L CA 0.706 55.409 54.840 -0.228 0.000 0.858 242 L CB 0.354 42.230 42.059 -0.305 0.000 1.120 242 L HN 0.447 nan 8.230 nan 0.000 0.474 243 M N 4.884 124.399 119.600 -0.142 0.000 2.047 243 M HA 0.174 4.662 4.480 0.012 0.000 0.342 243 M C 0.242 176.534 176.300 -0.014 0.000 1.058 243 M CA -0.275 54.989 55.300 -0.060 0.000 0.991 243 M CB 0.527 33.123 32.600 -0.006 0.000 1.474 243 M HN 0.750 nan 8.290 nan 0.000 0.419 244 T N 1.438 115.991 114.554 -0.002 0.000 2.946 244 T HA -0.061 4.296 4.350 0.012 0.000 0.312 244 T C 1.388 176.171 174.700 0.139 0.000 1.066 244 T CA 0.657 62.812 62.100 0.091 0.000 1.138 244 T CB 0.440 69.403 68.868 0.159 0.000 1.014 244 T HN 0.835 nan 8.240 nan 0.000 0.544 245 E N 2.722 123.023 120.200 0.168 0.000 2.147 245 E HA -0.200 4.157 4.350 0.012 0.000 0.199 245 E C 2.125 178.703 176.600 -0.037 0.000 1.005 245 E CA 1.573 57.951 56.400 -0.038 0.000 0.810 245 E CB -0.843 28.620 29.700 -0.394 0.000 0.736 245 E HN 0.958 nan 8.360 nan 0.000 0.460 246 G N 0.563 109.420 108.800 0.095 0.000 2.550 246 G HA2 -0.363 3.604 3.960 0.012 0.000 0.222 246 G HA3 -0.363 3.604 3.960 0.012 0.000 0.222 246 G C 1.657 176.582 174.900 0.043 0.000 1.113 246 G CA 1.055 46.221 45.100 0.109 0.000 0.748 246 G HN 0.429 nan 8.290 nan 0.000 0.585 247 C N -0.211 119.112 119.300 0.037 0.000 2.403 247 C HA -0.024 4.443 4.460 0.012 0.000 0.277 247 C C 2.947 177.939 174.990 0.004 0.000 1.248 247 C CA 1.088 60.116 59.018 0.016 0.000 1.762 247 C CB -0.735 27.017 27.740 0.020 0.000 2.014 247 C HN 0.512 nan 8.230 nan 0.000 0.486 248 R N -0.227 120.269 120.500 -0.006 0.000 2.189 248 R HA 0.081 4.429 4.340 0.012 0.000 0.203 248 R C 2.479 178.767 176.300 -0.019 0.000 1.012 248 R CA 0.920 57.012 56.100 -0.014 0.000 1.015 248 R CB -0.536 29.744 30.300 -0.034 0.000 0.938 248 R HN 0.546 nan 8.270 nan 0.000 0.472 249 G N 1.514 110.294 108.800 -0.033 0.000 2.442 249 G HA2 -0.229 3.739 3.960 0.012 0.000 0.219 249 G HA3 -0.229 3.739 3.960 0.012 0.000 0.219 249 G C 1.170 176.068 174.900 -0.004 0.000 1.141 249 G CA 0.510 45.597 45.100 -0.022 0.000 0.763 249 G HN 0.148 nan 8.290 nan 0.000 0.554 250 E N 0.494 120.695 120.200 0.001 0.000 2.511 250 E HA 0.119 4.476 4.350 0.012 0.000 0.196 250 E C 1.757 178.365 176.600 0.014 0.000 1.066 250 E CA 0.501 56.902 56.400 0.003 0.000 0.871 250 E CB -0.425 29.273 29.700 -0.003 0.000 0.863 250 E HN 0.459 nan 8.360 nan 0.000 0.520 251 G N 0.956 109.772 108.800 0.027 0.000 2.182 251 G HA2 -0.236 3.732 3.960 0.012 0.000 0.248 251 G HA3 -0.236 3.732 3.960 0.012 0.000 0.248 251 G C 0.623 175.612 174.900 0.147 0.000 1.042 251 G CA 0.070 45.214 45.100 0.074 0.000 0.775 251 G HN 0.498 nan 8.290 nan 0.000 0.501 252 G N -0.580 108.259 108.800 0.064 0.000 2.606 252 G HA2 0.703 4.670 3.960 0.012 0.000 0.252 252 G HA3 0.703 4.670 3.960 0.012 0.000 0.252 252 G C 0.291 175.270 174.900 0.132 0.000 1.206 252 G CA -0.013 45.131 45.100 0.074 0.000 0.861 252 G HN 1.441 nan 8.290 nan 0.000 0.561 253 I N -2.220 118.449 120.570 0.166 0.000 2.892 253 I HA 0.658 4.835 4.170 0.012 0.000 0.306 253 I C -0.759 175.385 176.117 0.045 0.000 1.078 253 I CA -1.231 60.113 61.300 0.074 0.000 1.032 253 I CB 2.284 40.308 38.000 0.041 0.000 1.229 253 I HN 0.221 nan 8.210 nan 0.000 0.435 254 L N 4.998 126.195 121.223 -0.044 0.000 2.322 254 L HA 0.823 5.170 4.340 0.012 0.000 0.281 254 L C -0.481 176.300 176.870 -0.149 0.000 1.014 254 L CA -0.859 53.959 54.840 -0.037 0.000 0.815 254 L CB 1.858 43.891 42.059 -0.044 0.000 1.247 254 L HN 0.665 nan 8.230 nan 0.000 0.421 255 V N -0.212 119.773 119.914 0.119 0.000 3.114 255 V HA 0.662 4.790 4.120 0.012 0.000 0.308 255 V C -0.779 175.583 176.094 0.447 0.000 1.168 255 V CA -0.893 61.528 62.300 0.201 0.000 1.015 255 V CB 1.923 33.844 31.823 0.163 0.000 1.050 255 V HN 0.806 nan 8.190 nan 0.000 0.433 256 N N 1.835 120.823 118.700 0.480 0.000 2.531 256 N HA 0.333 5.080 4.740 0.012 0.000 0.301 256 N C 0.889 176.553 175.510 0.255 0.000 1.310 256 N CA -0.143 53.106 53.050 0.331 0.000 0.949 256 N CB 0.096 38.745 38.487 0.270 0.000 1.111 256 N HN 0.886 nan 8.380 nan 0.000 0.565 257 K N -1.434 119.065 120.400 0.164 0.000 2.209 257 K HA -0.021 4.306 4.320 0.012 0.000 0.204 257 K C 0.109 176.805 176.600 0.160 0.000 1.048 257 K CA 1.233 57.613 56.287 0.156 0.000 0.940 257 K CB -0.386 32.164 32.500 0.084 0.000 0.729 257 K HN 0.341 nan 8.250 nan 0.000 0.451 258 N N 0.755 119.553 118.700 0.164 0.000 2.383 258 N HA 0.048 4.795 4.740 0.012 0.000 0.192 258 N C 0.713 176.335 175.510 0.187 0.000 1.141 258 N CA 0.866 54.004 53.050 0.147 0.000 0.851 258 N CB 0.785 39.341 38.487 0.116 0.000 0.976 258 N HN 0.545 nan 8.380 nan 0.000 0.465 259 G N 0.765 109.698 108.800 0.222 0.000 2.187 259 G HA2 -0.344 3.623 3.960 0.012 0.000 0.261 259 G HA3 -0.344 3.623 3.960 0.012 0.000 0.261 259 G C -0.211 174.829 174.900 0.233 0.000 1.000 259 G CA 0.268 45.491 45.100 0.205 0.000 0.718 259 G HN 0.491 nan 8.290 nan 0.000 0.519 260 Y N 1.189 121.571 120.300 0.137 0.000 2.335 260 Y HA 0.517 5.074 4.550 0.013 0.000 0.331 260 Y C 1.122 177.092 175.900 0.118 0.000 1.094 260 Y CA -1.275 56.899 58.100 0.122 0.000 1.253 260 Y CB 0.525 39.066 38.460 0.134 0.000 1.203 260 Y HN 0.165 nan 8.280 nan 0.000 0.508 261 R N 6.954 127.172 120.500 -0.470 0.000 2.878 261 R HA 0.003 4.350 4.340 0.012 0.000 0.239 261 R C 0.182 175.982 176.300 -0.834 0.000 1.515 261 R CA -0.020 55.753 56.100 -0.545 0.000 1.210 261 R CB -0.443 29.642 30.300 -0.359 0.000 1.209 261 R HN 0.856 nan 8.270 nan 0.000 0.610 262 Y N -0.362 119.711 120.300 -0.379 0.000 2.483 262 Y HA -0.142 4.415 4.550 0.012 0.000 0.291 262 Y C 1.232 177.168 175.900 0.061 0.000 1.143 262 Y CA 0.570 58.557 58.100 -0.189 0.000 1.289 262 Y CB -0.438 38.162 38.460 0.234 0.000 0.983 262 Y HN 0.310 nan 8.280 nan 0.000 0.556 263 L N 1.410 122.620 121.223 -0.021 0.000 2.362 263 L HA -0.178 4.169 4.340 0.012 0.000 0.219 263 L C 2.631 179.581 176.870 0.133 0.000 1.134 263 L CA 1.366 56.346 54.840 0.233 0.000 0.807 263 L CB -0.711 41.365 42.059 0.028 0.000 0.927 263 L HN 0.443 nan 8.230 nan 0.000 0.447 264 Q N -0.949 118.841 119.800 -0.016 0.000 2.369 264 Q HA -0.164 4.184 4.340 0.012 0.000 0.206 264 Q C 0.607 176.595 176.000 -0.020 0.000 0.963 264 Q CA 1.152 56.947 55.803 -0.013 0.000 0.894 264 Q CB -0.121 28.600 28.738 -0.029 0.000 0.965 264 Q HN 0.413 nan 8.270 nan 0.000 0.475 265 D N -0.174 120.179 120.400 -0.078 0.000 2.350 265 D HA 0.028 4.675 4.640 0.012 0.000 0.213 265 D C -0.181 175.832 176.300 -0.477 0.000 1.031 265 D CA 0.336 54.184 54.000 -0.254 0.000 0.861 265 D CB 0.241 40.882 40.800 -0.265 0.000 0.926 265 D HN 0.390 nan 8.370 nan 0.000 0.520 266 Y N -0.478 119.865 120.300 0.073 0.000 2.751 266 Y HA 0.386 4.944 4.550 0.013 0.000 0.289 266 Y C 1.622 177.543 175.900 0.035 0.000 1.110 266 Y CA -0.365 57.771 58.100 0.059 0.000 1.251 266 Y CB 0.828 39.363 38.460 0.125 0.000 1.178 266 Y HN -0.041 nan 8.280 nan 0.000 0.540 267 G N 0.228 109.071 108.800 0.071 0.000 2.176 267 G HA2 -0.321 3.647 3.960 0.012 0.000 0.253 267 G HA3 -0.321 3.647 3.960 0.012 0.000 0.253 267 G C 0.580 175.471 174.900 -0.015 0.000 0.979 267 G CA 0.405 45.521 45.100 0.027 0.000 0.641 267 G HN 0.438 nan 8.290 nan 0.000 0.530 268 M N 1.278 120.884 119.600 0.010 0.000 2.475 268 M HA 0.347 4.835 4.480 0.012 0.000 0.283 268 M C 1.449 177.720 176.300 -0.049 0.000 1.165 268 M CA 0.396 55.667 55.300 -0.048 0.000 0.976 268 M CB 0.900 33.508 32.600 0.013 0.000 1.428 268 M HN 0.283 nan 8.290 nan 0.000 0.495 269 G N 1.793 110.574 108.800 -0.032 0.000 2.606 269 G HA2 0.489 4.456 3.960 0.012 0.000 0.252 269 G HA3 0.489 4.456 3.960 0.012 0.000 0.252 269 G C -2.631 172.283 174.900 0.023 0.000 1.206 269 G CA -0.735 44.369 45.100 0.006 0.000 0.861 269 G HN 0.099 nan 8.290 nan 0.000 0.561 270 P HA 0.328 nan 4.420 nan 0.000 0.283 270 P C -0.277 177.077 177.300 0.091 0.000 1.271 270 P CA -0.908 62.242 63.100 0.084 0.000 0.841 270 P CB 1.027 32.774 31.700 0.078 0.000 1.122 271 E N 0.126 120.350 120.200 0.040 0.000 2.534 271 E HA 0.100 4.458 4.350 0.012 0.000 0.264 271 E C -0.339 176.274 176.600 0.022 0.000 0.981 271 E CA 0.299 56.707 56.400 0.012 0.000 0.948 271 E CB 0.192 29.887 29.700 -0.010 0.000 0.934 271 E HN 0.522 nan 8.360 nan 0.000 0.459 272 T N 2.452 117.008 114.554 0.005 0.000 2.888 272 T HA 0.513 4.870 4.350 0.012 0.000 0.284 272 T C -2.418 172.264 174.700 -0.031 0.000 1.017 272 T CA -1.965 60.128 62.100 -0.011 0.000 1.022 272 T CB 1.463 70.321 68.868 -0.017 0.000 1.013 272 T HN 0.310 nan 8.240 nan 0.000 0.465 273 P HA 0.121 nan 4.420 nan 0.000 0.266 273 P C 1.193 178.459 177.300 -0.056 0.000 1.195 273 P CA -0.402 62.673 63.100 -0.043 0.000 0.768 273 P CB 0.809 32.489 31.700 -0.032 0.000 0.838 274 L N 2.056 123.222 121.223 -0.094 0.000 2.051 274 L HA -0.240 4.107 4.340 0.012 0.000 0.214 274 L C 2.660 179.509 176.870 -0.035 0.000 1.076 274 L CA 2.355 57.106 54.840 -0.148 0.000 0.758 274 L CB -1.225 40.667 42.059 -0.278 0.000 0.890 274 L HN 0.590 nan 8.230 nan 0.000 0.433 275 G N -0.817 107.974 108.800 -0.014 0.000 2.402 275 G HA2 -0.175 3.793 3.960 0.012 0.000 0.216 275 G HA3 -0.175 3.793 3.960 0.012 0.000 0.216 275 G C 0.413 175.319 174.900 0.011 0.000 1.162 275 G CA 0.220 45.331 45.100 0.017 0.000 0.777 275 G HN 0.328 nan 8.290 nan 0.000 0.539 276 E N 1.046 121.240 120.200 -0.010 0.000 2.070 276 E HA 0.370 4.728 4.350 0.012 0.000 0.261 276 E C -2.576 174.007 176.600 -0.027 0.000 0.926 276 E CA -1.731 54.658 56.400 -0.020 0.000 0.760 276 E CB 2.162 31.843 29.700 -0.031 0.000 1.133 276 E HN 0.142 nan 8.360 nan 0.000 0.420 277 P HA 0.168 nan 4.420 nan 0.000 0.287 277 P C -0.785 176.488 177.300 -0.045 0.000 1.281 277 P CA -0.506 62.582 63.100 -0.020 0.000 0.781 277 P CB 0.811 32.511 31.700 -0.000 0.000 0.903 278 K N 2.776 123.136 120.400 -0.067 0.000 2.206 278 K HA 0.259 4.587 4.320 0.012 0.000 0.264 278 K C 0.101 176.680 176.600 -0.035 0.000 0.967 278 K CA -0.661 55.547 56.287 -0.132 0.000 0.844 278 K CB 1.513 33.794 32.500 -0.366 0.000 1.099 278 K HN 0.438 nan 8.250 nan 0.000 0.441 279 N N 2.532 121.221 118.700 -0.019 0.000 2.458 279 N HA -0.070 4.677 4.740 0.012 0.000 0.258 279 N C -0.043 175.589 175.510 0.205 0.000 1.219 279 N CA 0.975 54.059 53.050 0.056 0.000 0.902 279 N CB 0.403 38.908 38.487 0.031 0.000 1.076 279 N HN 0.554 nan 8.380 nan 0.000 0.455 280 K N 0.686 121.202 120.400 0.193 0.000 3.587 280 K HA -0.226 4.102 4.320 0.012 0.000 0.294 280 K C -1.060 175.667 176.600 0.212 0.000 1.279 280 K CA 1.118 57.529 56.287 0.206 0.000 1.004 280 K CB -1.117 31.514 32.500 0.218 0.000 1.276 280 K HN 0.533 nan 8.250 nan 0.000 0.459 281 Y N 0.492 120.789 120.300 -0.005 0.000 2.429 281 Y HA 0.408 4.965 4.550 0.012 0.000 0.342 281 Y C 1.359 177.250 175.900 -0.015 0.000 1.004 281 Y CA -1.137 56.961 58.100 -0.004 0.000 1.075 281 Y CB 1.045 39.501 38.460 -0.006 0.000 1.214 281 Y HN -0.063 nan 8.280 nan 0.000 0.455 282 M N -0.268 119.393 119.600 0.102 0.000 7.319 282 M HA -0.393 4.094 4.480 0.012 0.000 0.311 282 M C 1.384 177.691 176.300 0.012 0.000 0.480 282 M CA 1.553 56.875 55.300 0.035 0.000 1.311 282 M CB -1.386 31.229 32.600 0.025 0.000 0.421 282 M HN 0.792 nan 8.290 nan 0.000 0.799 283 E N 0.645 120.838 120.200 -0.013 0.000 2.333 283 E HA 0.020 4.378 4.350 0.012 0.000 0.198 283 E C 1.676 178.263 176.600 -0.021 0.000 1.007 283 E CA 1.007 57.391 56.400 -0.026 0.000 0.845 283 E CB -0.181 29.501 29.700 -0.029 0.000 0.766 283 E HN 0.461 nan 8.360 nan 0.000 0.507 284 L N -0.162 121.064 121.223 0.005 0.000 2.653 284 L HA 0.254 4.602 4.340 0.012 0.000 0.231 284 L C 1.158 178.036 176.870 0.014 0.000 1.153 284 L CA -0.565 54.273 54.840 -0.005 0.000 0.933 284 L CB -0.126 41.940 42.059 0.011 0.000 1.175 284 L HN 0.072 nan 8.230 nan 0.000 0.473 285 G N 0.860 109.671 108.800 0.019 0.000 2.712 285 G HA2 0.171 4.138 3.960 0.012 0.000 0.258 285 G HA3 0.171 4.138 3.960 0.012 0.000 0.258 285 G C -2.418 172.480 174.900 -0.004 0.000 1.241 285 G CA -0.718 44.391 45.100 0.016 0.000 0.923 285 G HN -0.004 nan 8.290 nan 0.000 0.548 286 P HA 0.061 nan 4.420 nan 0.000 0.265 286 P C 1.000 178.289 177.300 -0.019 0.000 1.193 286 P CA -0.322 62.777 63.100 -0.002 0.000 0.765 286 P CB 0.799 32.508 31.700 0.014 0.000 0.823 287 R N 3.039 123.515 120.500 -0.039 0.000 2.103 287 R HA -0.227 4.120 4.340 0.012 0.000 0.234 287 R C 0.946 177.213 176.300 -0.054 0.000 1.132 287 R CA 2.700 58.759 56.100 -0.070 0.000 0.925 287 R CB -0.831 29.429 30.300 -0.067 0.000 0.842 287 R HN 0.530 nan 8.270 nan 0.000 0.430 288 D N 0.300 120.678 120.400 -0.037 0.000 2.133 288 D HA -0.197 4.450 4.640 0.012 0.000 0.192 288 D C 1.977 178.245 176.300 -0.053 0.000 1.001 288 D CA 1.491 55.455 54.000 -0.060 0.000 0.844 288 D CB -0.074 40.698 40.800 -0.046 0.000 0.944 288 D HN 0.210 nan 8.370 nan 0.000 0.447 289 K N 0.461 120.858 120.400 -0.004 0.000 2.063 289 K HA -0.093 4.234 4.320 0.012 0.000 0.208 289 K C 2.256 178.885 176.600 0.048 0.000 1.048 289 K CA 0.699 57.012 56.287 0.043 0.000 0.928 289 K CB -0.442 32.097 32.500 0.065 0.000 0.713 289 K HN 0.177 nan 8.250 nan 0.000 0.442 290 V N 1.285 121.217 119.914 0.029 0.000 2.358 290 V HA -0.196 3.931 4.120 0.012 0.000 0.246 290 V C 2.289 178.423 176.094 0.065 0.000 1.047 290 V CA 1.764 64.098 62.300 0.056 0.000 1.035 290 V CB -0.434 31.396 31.823 0.011 0.000 0.658 290 V HN 0.235 nan 8.190 nan 0.000 0.452 291 S N -0.516 115.181 115.700 -0.005 0.000 2.368 291 S HA -0.246 4.232 4.470 0.012 0.000 0.224 291 S C 2.020 176.628 174.600 0.014 0.000 1.029 291 S CA 1.461 59.648 58.200 -0.022 0.000 0.988 291 S CB -0.295 62.831 63.200 -0.123 0.000 0.838 291 S HN 0.648 nan 8.310 nan 0.000 0.462 292 Q N 0.912 120.674 119.800 -0.063 0.000 2.124 292 Q HA -0.005 4.342 4.340 0.012 0.000 0.202 292 Q C 2.478 178.526 176.000 0.081 0.000 0.977 292 Q CA 1.306 57.081 55.803 -0.047 0.000 0.850 292 Q CB -0.399 28.330 28.738 -0.015 0.000 0.901 292 Q HN 0.592 nan 8.270 nan 0.000 0.429 293 A N 0.511 123.354 122.820 0.037 0.000 1.940 293 A HA -0.224 4.103 4.320 0.012 0.000 0.219 293 A C 1.867 179.364 177.584 -0.145 0.000 1.176 293 A CA 1.360 53.255 52.037 -0.237 0.000 0.631 293 A CB -0.832 18.084 19.000 -0.139 0.000 0.814 293 A HN 0.521 nan 8.150 nan 0.000 0.446 294 F N -1.344 118.560 119.950 -0.076 0.000 2.134 294 F HA -0.134 4.401 4.527 0.013 0.000 0.299 294 F C 1.958 177.767 175.800 0.015 0.000 1.097 294 F CA 1.798 59.753 58.000 -0.075 0.000 1.264 294 F CB -0.411 38.579 39.000 -0.016 0.000 1.001 294 F HN 0.455 nan 8.300 nan 0.000 0.479 295 W N 1.034 122.315 121.300 -0.031 0.000 2.358 295 W HA -0.209 4.458 4.660 0.013 0.000 0.303 295 W C 2.716 179.182 176.519 -0.088 0.000 1.208 295 W CA 2.392 59.712 57.345 -0.041 0.000 1.274 295 W CB -0.603 28.869 29.460 0.020 0.000 1.138 295 W HN 0.061 nan 8.180 nan 0.000 0.515 296 H N 0.027 119.237 119.070 0.234 0.000 2.319 296 H HA -0.142 4.421 4.556 0.013 0.000 0.299 296 H C 2.041 177.285 175.328 -0.139 0.000 1.092 296 H CA 1.852 57.937 56.048 0.061 0.000 1.302 296 H CB -0.741 29.073 29.762 0.086 0.000 1.373 296 H HN 0.177 nan 8.280 nan 0.000 0.497 297 E N 0.131 120.247 120.200 -0.139 0.000 2.153 297 E HA -0.169 4.188 4.350 0.012 0.000 0.194 297 E C 2.170 178.579 176.600 -0.318 0.000 0.988 297 E CA 0.462 56.708 56.400 -0.256 0.000 0.811 297 E CB -0.439 28.935 29.700 -0.544 0.000 0.746 297 E HN 0.536 nan 8.360 nan 0.000 0.466 298 W N 2.212 123.134 121.300 -0.630 0.000 2.355 298 W HA -0.158 4.509 4.660 0.013 0.000 0.309 298 W C 2.079 178.312 176.519 -0.477 0.000 1.206 298 W CA 1.370 58.338 57.345 -0.627 0.000 1.284 298 W CB -0.132 28.856 29.460 -0.785 0.000 1.145 298 W HN -0.113 nan 8.180 nan 0.000 0.502 299 R N 0.776 120.781 120.500 -0.825 0.000 2.096 299 R HA -0.160 4.187 4.340 0.012 0.000 0.240 299 R C 1.997 177.922 176.300 -0.626 0.000 1.139 299 R CA 1.865 57.395 56.100 -0.950 0.000 0.952 299 R CB -1.077 28.811 30.300 -0.686 0.000 0.854 299 R HN 0.335 nan 8.270 nan 0.000 0.436 300 K N -0.663 119.504 120.400 -0.389 0.000 2.360 300 K HA -0.054 4.274 4.320 0.012 0.000 0.201 300 K C 0.867 177.310 176.600 -0.262 0.000 1.046 300 K CA 0.835 56.972 56.287 -0.249 0.000 0.945 300 K CB 0.020 32.446 32.500 -0.123 0.000 0.750 300 K HN 0.472 nan 8.250 nan 0.000 0.464 301 G N 1.607 110.195 108.800 -0.354 0.000 2.149 301 G HA2 -0.198 3.770 3.960 0.012 0.000 0.235 301 G HA3 -0.198 3.770 3.960 0.012 0.000 0.235 301 G C 0.176 174.972 174.900 -0.173 0.000 1.018 301 G CA 0.143 45.076 45.100 -0.279 0.000 0.728 301 G HN 0.241 nan 8.290 nan 0.000 0.508 302 N N 0.182 118.780 118.700 -0.171 0.000 2.280 302 N HA 0.134 4.881 4.740 0.012 0.000 0.192 302 N C 1.157 176.613 175.510 -0.090 0.000 1.109 302 N CA 1.019 54.011 53.050 -0.096 0.000 0.855 302 N CB 0.486 38.931 38.487 -0.069 0.000 0.974 302 N HN 0.767 nan 8.380 nan 0.000 0.482 303 T N -0.905 113.574 114.554 -0.125 0.000 2.845 303 T HA 0.513 4.870 4.350 0.012 0.000 0.288 303 T C 0.433 175.110 174.700 -0.038 0.000 0.980 303 T CA -0.701 61.344 62.100 -0.092 0.000 1.071 303 T CB 1.115 69.912 68.868 -0.118 0.000 0.941 303 T HN -0.130 nan 8.240 nan 0.000 0.487 304 I N 2.784 123.319 120.570 -0.059 0.000 2.533 304 I HA 0.194 4.371 4.170 0.012 0.000 0.284 304 I C 1.015 177.113 176.117 -0.032 0.000 1.109 304 I CA 0.279 61.544 61.300 -0.059 0.000 1.412 304 I CB 0.820 38.716 38.000 -0.174 0.000 1.396 304 I HN 0.655 nan 8.210 nan 0.000 0.543 305 S N 4.163 119.866 115.700 0.006 0.000 2.513 305 S HA 0.581 5.058 4.470 0.012 0.000 0.276 305 S C 0.040 174.653 174.600 0.022 0.000 1.254 305 S CA -0.494 57.721 58.200 0.024 0.000 1.053 305 S CB 0.195 63.415 63.200 0.034 0.000 0.958 305 S HN 0.795 nan 8.310 nan 0.000 0.491 306 T N 2.603 117.168 114.554 0.019 0.000 2.907 306 T HA 0.590 4.947 4.350 0.012 0.000 0.290 306 T C -2.254 172.460 174.700 0.023 0.000 1.066 306 T CA -1.722 60.393 62.100 0.024 0.000 1.012 306 T CB 0.989 69.868 68.868 0.019 0.000 1.184 306 T HN 0.253 nan 8.240 nan 0.000 0.522 307 P HA 0.059 nan 4.420 nan 0.000 0.215 307 P C 1.462 178.774 177.300 0.021 0.000 1.153 307 P CA 0.959 64.076 63.100 0.028 0.000 0.853 307 P CB 0.107 31.826 31.700 0.032 0.000 0.788 308 R N -1.394 119.111 120.500 0.008 0.000 2.153 308 R HA 0.274 4.622 4.340 0.012 0.000 0.218 308 R C 1.047 177.313 176.300 -0.056 0.000 1.072 308 R CA 0.879 56.969 56.100 -0.017 0.000 0.990 308 R CB -0.145 30.139 30.300 -0.028 0.000 0.889 308 R HN 0.263 nan 8.270 nan 0.000 0.452 309 G N -0.375 108.402 108.800 -0.037 0.000 2.359 309 G HA2 -0.074 3.893 3.960 0.012 0.000 0.293 309 G HA3 -0.074 3.893 3.960 0.012 0.000 0.293 309 G C -1.916 172.979 174.900 -0.008 0.000 1.300 309 G CA -1.046 44.029 45.100 -0.041 0.000 0.888 309 G HN 0.021 nan 8.290 nan 0.000 0.541 310 D N -0.039 120.379 120.400 0.030 0.000 2.350 310 D HA 0.481 5.128 4.640 0.012 0.000 0.249 310 D C 0.732 177.131 176.300 0.164 0.000 1.119 310 D CA 0.705 54.763 54.000 0.096 0.000 0.886 310 D CB 1.717 42.610 40.800 0.155 0.000 1.195 310 D HN 0.978 nan 8.370 nan 0.000 0.437 311 V N -0.239 119.739 119.914 0.108 0.000 3.130 311 V HA 0.795 4.922 4.120 0.012 0.000 0.310 311 V C -0.196 175.960 176.094 0.104 0.000 1.158 311 V CA -1.010 61.360 62.300 0.116 0.000 1.029 311 V CB 1.538 33.305 31.823 -0.094 0.000 1.057 311 V HN 0.319 nan 8.190 nan 0.000 0.436 312 V N -0.287 119.743 119.914 0.193 0.000 3.093 312 V HA 0.680 4.808 4.120 0.012 0.000 0.320 312 V C -0.838 175.253 176.094 -0.005 0.000 1.093 312 V CA -0.822 61.562 62.300 0.139 0.000 1.016 312 V CB 1.351 33.412 31.823 0.398 0.000 1.096 312 V HN 0.849 nan 8.190 nan 0.000 0.452 313 Y N 1.179 121.598 120.300 0.199 0.000 2.342 313 Y HA 0.686 5.243 4.550 0.012 0.000 0.334 313 Y C -0.139 175.828 175.900 0.113 0.000 1.067 313 Y CA -1.054 57.125 58.100 0.132 0.000 1.128 313 Y CB 1.776 40.303 38.460 0.112 0.000 1.200 313 Y HN 0.667 nan 8.280 nan 0.000 0.464 314 L N 4.101 125.498 121.223 0.289 0.000 2.264 314 L HA 0.434 4.782 4.340 0.012 0.000 0.287 314 L C -0.968 175.979 176.870 0.129 0.000 1.039 314 L CA -0.298 54.642 54.840 0.167 0.000 0.829 314 L CB 0.619 42.746 42.059 0.113 0.000 1.211 314 L HN 0.579 nan 8.230 nan 0.000 0.427 315 D N 3.875 124.347 120.400 0.121 0.000 2.359 315 D HA 0.356 5.004 4.640 0.012 0.000 0.230 315 D C 0.311 176.640 176.300 0.048 0.000 1.118 315 D CA -0.054 54.002 54.000 0.094 0.000 0.844 315 D CB 0.856 41.741 40.800 0.141 0.000 1.059 315 D HN 0.653 nan 8.370 nan 0.000 0.493 316 L N 3.494 124.678 121.223 -0.066 0.000 2.959 316 L HA 0.315 4.663 4.340 0.012 0.000 0.259 316 L C 2.108 178.808 176.870 -0.283 0.000 1.185 316 L CA -0.359 54.339 54.840 -0.237 0.000 0.998 316 L CB 0.137 42.121 42.059 -0.126 0.000 1.337 316 L HN 0.344 nan 8.230 nan 0.000 0.555 317 R N 0.502 120.919 120.500 -0.138 0.000 2.127 317 R HA -0.125 4.223 4.340 0.012 0.000 0.238 317 R C 1.423 177.691 176.300 -0.053 0.000 1.134 317 R CA 1.276 57.343 56.100 -0.054 0.000 0.975 317 R CB -0.249 30.064 30.300 0.022 0.000 0.865 317 R HN 0.599 nan 8.270 nan 0.000 0.447 318 H N -0.866 118.206 119.070 0.003 0.000 2.592 318 H HA 0.099 4.663 4.556 0.012 0.000 0.291 318 H C 1.205 176.537 175.328 0.007 0.000 1.052 318 H CA -0.025 56.026 56.048 0.004 0.000 1.175 318 H CB 0.256 30.020 29.762 0.002 0.000 1.378 318 H HN 0.081 nan 8.280 nan 0.000 0.576 319 L N 0.662 121.756 121.223 -0.215 0.000 2.408 319 L HA 0.223 4.571 4.340 0.012 0.000 0.215 319 L C 0.963 177.813 176.870 -0.033 0.000 1.081 319 L CA 1.284 56.052 54.840 -0.120 0.000 0.840 319 L CB -0.644 41.323 42.059 -0.152 0.000 1.002 319 L HN 0.617 nan 8.230 nan 0.000 0.468 320 G N 0.927 109.713 108.800 -0.024 0.000 2.825 320 G HA2 -0.250 3.717 3.960 0.012 0.000 0.686 320 G HA3 -0.250 3.717 3.960 0.012 0.000 0.686 320 G C 0.838 175.746 174.900 0.014 0.000 1.362 320 G CA 0.128 45.230 45.100 0.003 0.000 0.975 320 G HN 0.388 nan 8.290 nan 0.000 0.594 321 E N 1.077 121.291 120.200 0.023 0.000 2.136 321 E HA -0.356 4.001 4.350 0.012 0.000 0.208 321 E C 2.322 178.963 176.600 0.068 0.000 1.035 321 E CA 1.932 58.360 56.400 0.047 0.000 0.838 321 E CB -0.074 29.650 29.700 0.040 0.000 0.748 321 E HN 0.548 nan 8.360 nan 0.000 0.459 322 K N 1.523 121.949 120.400 0.044 0.000 2.026 322 K HA -0.147 4.180 4.320 0.012 0.000 0.208 322 K C 1.896 178.538 176.600 0.070 0.000 1.048 322 K CA 1.544 57.859 56.287 0.047 0.000 0.929 322 K CB -0.010 32.504 32.500 0.023 0.000 0.713 322 K HN -0.053 nan 8.250 nan 0.000 0.439 323 K N 0.173 120.602 120.400 0.048 0.000 2.063 323 K HA -0.115 4.213 4.320 0.012 0.000 0.208 323 K C 2.123 178.753 176.600 0.050 0.000 1.048 323 K CA 1.637 57.948 56.287 0.041 0.000 0.928 323 K CB -0.273 32.237 32.500 0.016 0.000 0.713 323 K HN 0.141 nan 8.250 nan 0.000 0.442 324 L N -0.323 120.928 121.223 0.047 0.000 1.989 324 L HA -0.267 4.080 4.340 0.012 0.000 0.211 324 L C 2.460 179.365 176.870 0.058 0.000 1.071 324 L CA 1.663 56.525 54.840 0.036 0.000 0.749 324 L CB -0.621 41.452 42.059 0.023 0.000 0.890 324 L HN 0.291 nan 8.230 nan 0.000 0.431 325 H N -0.587 118.497 119.070 0.024 0.000 2.321 325 H HA -0.219 4.344 4.556 0.013 0.000 0.300 325 H C 2.327 177.681 175.328 0.042 0.000 1.087 325 H CA 2.043 58.110 56.048 0.032 0.000 1.319 325 H CB 0.192 29.968 29.762 0.024 0.000 1.379 325 H HN 0.289 nan 8.280 nan 0.000 0.501 326 E N -0.071 120.238 120.200 0.182 0.000 2.153 326 E HA -0.165 4.193 4.350 0.012 0.000 0.194 326 E C 1.741 178.409 176.600 0.112 0.000 0.988 326 E CA 1.049 57.529 56.400 0.133 0.000 0.811 326 E CB 0.214 29.974 29.700 0.101 0.000 0.746 326 E HN 0.402 nan 8.360 nan 0.000 0.466 327 R N -1.138 119.416 120.500 0.089 0.000 2.369 327 R HA 0.285 4.633 4.340 0.012 0.000 0.210 327 R C 0.442 176.785 176.300 0.071 0.000 0.881 327 R CA 0.051 56.200 56.100 0.081 0.000 1.031 327 R CB 0.904 31.236 30.300 0.054 0.000 1.184 327 R HN 0.045 nan 8.270 nan 0.000 0.581 328 L N 1.252 122.506 121.223 0.051 0.000 2.861 328 L HA 0.334 4.682 4.340 0.012 0.000 0.290 328 L C -2.148 174.732 176.870 0.016 0.000 1.346 328 L CA -1.182 53.684 54.840 0.045 0.000 0.779 328 L CB 1.540 43.616 42.059 0.028 0.000 1.143 328 L HN -0.097 nan 8.230 nan 0.000 0.548 329 P HA -0.122 nan 4.420 nan 0.000 0.218 329 P C 1.609 178.941 177.300 0.054 0.000 1.152 329 P CA 0.773 63.816 63.100 -0.094 0.000 0.826 329 P CB 0.267 31.871 31.700 -0.160 0.000 0.790 330 F N 1.191 121.101 119.950 -0.067 0.000 2.102 330 F HA -0.138 4.396 4.527 0.012 0.000 0.298 330 F C 2.088 177.878 175.800 -0.016 0.000 1.105 330 F CA 0.687 58.661 58.000 -0.042 0.000 1.239 330 F CB -1.175 37.809 39.000 -0.025 0.000 0.991 330 F HN -0.275 nan 8.300 nan 0.000 0.474 331 I N 0.319 120.878 120.570 -0.018 0.000 2.185 331 I HA -0.388 3.790 4.170 0.012 0.000 0.246 331 I C 2.654 178.725 176.117 -0.076 0.000 1.088 331 I CA 1.392 62.628 61.300 -0.106 0.000 1.347 331 I CB -1.924 36.055 38.000 -0.036 0.000 1.041 331 I HN 0.236 nan 8.210 nan 0.000 0.415 332 C N -0.139 119.142 119.300 -0.032 0.000 2.440 332 C HA -0.093 4.375 4.460 0.012 0.000 0.278 332 C C 2.602 177.576 174.990 -0.027 0.000 1.295 332 C CA 0.124 59.123 59.018 -0.031 0.000 1.738 332 C CB -1.125 26.589 27.740 -0.044 0.000 1.987 332 C HN 0.503 nan 8.230 nan 0.000 0.492 333 E N 0.989 121.192 120.200 0.005 0.000 2.072 333 E HA -0.111 4.246 4.350 0.012 0.000 0.191 333 E C 2.137 178.709 176.600 -0.047 0.000 0.985 333 E CA 0.892 57.304 56.400 0.020 0.000 0.801 333 E CB -0.170 29.617 29.700 0.146 0.000 0.750 333 E HN 0.601 nan 8.360 nan 0.000 0.452 334 L N 0.589 121.742 121.223 -0.116 0.000 2.012 334 L HA -0.246 4.102 4.340 0.012 0.000 0.210 334 L C 2.579 179.458 176.870 0.015 0.000 1.073 334 L CA 1.251 56.051 54.840 -0.068 0.000 0.748 334 L CB -0.490 41.419 42.059 -0.250 0.000 0.891 334 L HN 0.166 nan 8.230 nan 0.000 0.431 335 A N -0.369 122.436 122.820 -0.024 0.000 1.858 335 A HA -0.231 4.097 4.320 0.012 0.000 0.216 335 A C 2.376 179.955 177.584 -0.008 0.000 1.190 335 A CA 1.717 53.756 52.037 0.003 0.000 0.617 335 A CB -0.455 18.542 19.000 -0.005 0.000 0.827 335 A HN 0.254 nan 8.150 nan 0.000 0.443 336 K N -0.622 119.757 120.400 -0.034 0.000 2.032 336 K HA -0.165 4.162 4.320 0.012 0.000 0.209 336 K C 2.311 178.863 176.600 -0.080 0.000 1.048 336 K CA 1.378 57.639 56.287 -0.043 0.000 0.927 336 K CB -0.311 32.166 32.500 -0.039 0.000 0.712 336 K HN 0.469 nan 8.250 nan 0.000 0.441 337 A N -0.097 122.624 122.820 -0.165 0.000 1.855 337 A HA -0.108 4.220 4.320 0.012 0.000 0.213 337 A C 1.861 179.241 177.584 -0.339 0.000 1.195 337 A CA 1.097 52.929 52.037 -0.341 0.000 0.610 337 A CB -0.582 18.038 19.000 -0.632 0.000 0.837 337 A HN 0.322 nan 8.150 nan 0.000 0.444 338 Y N -0.753 119.539 120.300 -0.013 0.000 2.476 338 Y HA 0.052 4.610 4.550 0.013 0.000 0.283 338 Y C 2.186 178.084 175.900 -0.003 0.000 1.109 338 Y CA 0.922 59.016 58.100 -0.009 0.000 1.246 338 Y CB 0.473 38.918 38.460 -0.025 0.000 1.068 338 Y HN 0.232 nan 8.280 nan 0.000 0.552 339 V N -4.643 115.343 119.914 0.121 0.000 3.645 339 V HA 0.542 4.670 4.120 0.012 0.000 0.275 339 V C 1.305 177.430 176.094 0.051 0.000 1.356 339 V CA 0.339 62.688 62.300 0.082 0.000 1.051 339 V CB 0.131 32.001 31.823 0.078 0.000 0.828 339 V HN 0.302 nan 8.190 nan 0.000 0.441 340 G N 0.613 109.427 108.800 0.024 0.000 2.212 340 G HA2 -0.151 3.817 3.960 0.012 0.000 0.255 340 G HA3 -0.151 3.817 3.960 0.012 0.000 0.255 340 G C -0.227 174.681 174.900 0.012 0.000 1.062 340 G CA 0.162 45.267 45.100 0.008 0.000 0.815 340 G HN 0.945 nan 8.290 nan 0.000 0.497 341 V N 0.652 120.573 119.914 0.012 0.000 2.443 341 V HA 0.403 4.531 4.120 0.012 0.000 0.293 341 V C -0.238 175.855 176.094 -0.001 0.000 1.021 341 V CA -1.001 61.306 62.300 0.011 0.000 0.848 341 V CB 1.864 33.704 31.823 0.029 0.000 0.998 341 V HN 0.384 nan 8.190 nan 0.000 0.424 342 D N 7.372 127.769 120.400 -0.005 0.000 2.338 342 D HA 0.223 4.870 4.640 0.012 0.000 0.255 342 D C -1.536 174.759 176.300 -0.010 0.000 1.237 342 D CA -1.919 52.077 54.000 -0.006 0.000 0.883 342 D CB 2.051 42.850 40.800 -0.002 0.000 1.087 342 D HN 0.199 nan 8.370 nan 0.000 0.485 343 P HA -0.167 nan 4.420 nan 0.000 0.218 343 P C 1.485 178.771 177.300 -0.023 0.000 1.146 343 P CA 0.616 63.705 63.100 -0.018 0.000 0.813 343 P CB 0.326 32.013 31.700 -0.020 0.000 0.778 344 V N 0.587 120.493 119.914 -0.012 0.000 2.343 344 V HA -0.234 3.893 4.120 0.012 0.000 0.247 344 V C 2.352 178.440 176.094 -0.011 0.000 1.051 344 V CA 2.170 64.465 62.300 -0.008 0.000 1.036 344 V CB -1.140 30.688 31.823 0.008 0.000 0.654 344 V HN 0.233 nan 8.190 nan 0.000 0.451 345 K N -0.366 120.027 120.400 -0.012 0.000 2.352 345 K HA 0.105 4.432 4.320 0.012 0.000 0.194 345 K C 0.732 177.314 176.600 -0.029 0.000 1.038 345 K CA 0.340 56.618 56.287 -0.014 0.000 1.023 345 K CB 0.603 33.097 32.500 -0.010 0.000 0.840 345 K HN 0.478 nan 8.250 nan 0.000 0.519 346 E N 0.540 120.717 120.200 -0.038 0.000 2.433 346 E HA 0.408 4.766 4.350 0.012 0.000 0.273 346 E C -2.887 173.664 176.600 -0.080 0.000 0.950 346 E CA -2.664 53.695 56.400 -0.068 0.000 0.796 346 E CB 2.426 32.091 29.700 -0.059 0.000 1.330 346 E HN -0.092 nan 8.360 nan 0.000 0.455 347 P HA 0.391 nan 4.420 nan 0.000 0.298 347 P C -0.670 176.625 177.300 -0.008 0.000 1.314 347 P CA -0.342 62.675 63.100 -0.139 0.000 0.854 347 P CB 0.805 32.268 31.700 -0.396 0.000 1.019 348 I N 5.010 125.649 120.570 0.115 0.000 2.416 348 I HA 0.193 4.371 4.170 0.012 0.000 0.288 348 I C -1.868 174.440 176.117 0.318 0.000 1.051 348 I CA -2.348 59.054 61.300 0.170 0.000 1.375 348 I CB 0.484 38.541 38.000 0.093 0.000 1.407 348 I HN 0.112 nan 8.210 nan 0.000 0.516 349 P HA 0.125 nan 4.420 nan 0.000 0.271 349 P C -0.710 176.627 177.300 0.060 0.000 1.220 349 P CA -0.042 63.153 63.100 0.158 0.000 0.768 349 P CB 1.055 32.808 31.700 0.089 0.000 0.848 350 V N 1.278 121.206 119.914 0.023 0.000 2.962 350 V HA 0.788 4.916 4.120 0.012 0.000 0.313 350 V C -0.599 175.424 176.094 -0.119 0.000 1.099 350 V CA -1.133 61.151 62.300 -0.026 0.000 0.971 350 V CB 2.666 34.496 31.823 0.012 0.000 1.028 350 V HN 0.551 nan 8.190 nan 0.000 0.430 351 R N 2.631 122.985 120.500 -0.243 0.000 2.698 351 R HA 0.668 5.015 4.340 0.012 0.000 0.275 351 R C -3.114 172.918 176.300 -0.447 0.000 1.001 351 R CA -1.953 53.824 56.100 -0.539 0.000 0.896 351 R CB 3.035 33.094 30.300 -0.401 0.000 1.218 351 R HN 0.604 nan 8.270 nan 0.000 0.462 352 P HA 0.210 nan 4.420 nan 0.000 0.271 352 P C -1.268 176.014 177.300 -0.029 0.000 1.218 352 P CA -0.024 62.945 63.100 -0.218 0.000 0.780 352 P CB 1.178 32.744 31.700 -0.224 0.000 0.901 353 T N 0.296 114.902 114.554 0.087 0.000 2.923 353 T HA 0.619 4.976 4.350 0.012 0.000 0.311 353 T C -0.704 173.814 174.700 -0.303 0.000 1.183 353 T CA -0.611 61.468 62.100 -0.035 0.000 1.020 353 T CB 1.634 70.467 68.868 -0.059 0.000 1.165 353 T HN 0.335 nan 8.240 nan 0.000 0.482 354 A N 0.887 123.310 122.820 -0.661 0.000 2.425 354 A HA 0.552 4.880 4.320 0.012 0.000 0.249 354 A C 0.398 177.757 177.584 -0.375 0.000 1.084 354 A CA 0.382 51.789 52.037 -1.050 0.000 0.781 354 A CB 0.014 18.247 19.000 -1.278 0.000 1.019 354 A HN 1.133 nan 8.150 nan 0.000 0.490 355 H N 0.130 118.964 119.070 -0.393 0.000 1.933 355 H HA 0.269 4.833 4.556 0.013 0.000 0.174 355 H C -1.018 174.317 175.328 0.011 0.000 0.918 355 H CA 0.715 56.694 56.048 -0.116 0.000 0.958 355 H CB 0.198 29.964 29.762 0.007 0.000 1.056 355 H HN 0.669 nan 8.280 nan 0.000 0.350 356 Y N 0.655 120.773 120.300 -0.304 0.000 2.524 356 Y HA 0.515 5.072 4.550 0.013 0.000 0.347 356 Y C -1.153 174.648 175.900 -0.166 0.000 1.005 356 Y CA -0.796 57.109 58.100 -0.324 0.000 1.025 356 Y CB 2.140 40.380 38.460 -0.367 0.000 1.275 356 Y HN 0.054 nan 8.280 nan 0.000 0.460 357 T N 7.124 121.159 114.554 -0.865 0.000 2.832 357 T HA 0.166 4.523 4.350 0.012 0.000 0.313 357 T C 0.830 175.203 174.700 -0.544 0.000 1.035 357 T CA -0.371 61.406 62.100 -0.538 0.000 0.950 357 T CB 0.620 69.228 68.868 -0.433 0.000 0.984 357 T HN 0.739 nan 8.240 nan 0.000 0.486 358 M N 2.223 121.788 119.600 -0.058 0.000 2.175 358 M HA 0.147 4.635 4.480 0.012 0.000 0.264 358 M C 1.745 178.085 176.300 0.067 0.000 1.063 358 M CA 0.780 56.159 55.300 0.131 0.000 1.119 358 M CB -0.354 32.383 32.600 0.229 0.000 1.377 358 M HN 0.665 nan 8.290 nan 0.000 0.415 359 G N -0.934 107.893 108.800 0.044 0.000 2.651 359 G HA2 0.493 4.460 3.960 0.012 0.000 0.260 359 G HA3 0.493 4.460 3.960 0.012 0.000 0.260 359 G C 0.028 174.890 174.900 -0.063 0.000 1.216 359 G CA -0.016 45.094 45.100 0.017 0.000 0.913 359 G HN 0.583 nan 8.290 nan 0.000 0.535 360 G N -1.546 107.206 108.800 -0.082 0.000 2.315 360 G HA2 0.346 4.314 3.960 0.012 0.000 0.294 360 G HA3 0.346 4.314 3.960 0.012 0.000 0.294 360 G C -0.635 174.189 174.900 -0.127 0.000 1.300 360 G CA -0.997 44.037 45.100 -0.110 0.000 0.843 360 G HN 0.742 nan 8.290 nan 0.000 0.527 361 I N 1.319 121.809 120.570 -0.132 0.000 2.741 361 I HA 0.032 4.210 4.170 0.012 0.000 0.288 361 I C 1.074 177.096 176.117 -0.158 0.000 1.192 361 I CA 0.351 61.563 61.300 -0.147 0.000 1.426 361 I CB 0.657 38.580 38.000 -0.129 0.000 1.367 361 I HN 0.585 nan 8.210 nan 0.000 0.563 362 E N 6.415 126.505 120.200 -0.183 0.000 2.376 362 E HA 0.128 4.485 4.350 0.012 0.000 0.266 362 E C -0.462 176.038 176.600 -0.167 0.000 1.009 362 E CA -0.245 56.042 56.400 -0.188 0.000 0.902 362 E CB 0.768 30.349 29.700 -0.198 0.000 0.972 362 E HN 0.710 nan 8.360 nan 0.000 0.439 363 T N 1.226 115.681 114.554 -0.165 0.000 2.906 363 T HA 0.298 4.655 4.350 0.012 0.000 0.295 363 T C -0.215 174.405 174.700 -0.133 0.000 1.075 363 T CA -0.955 61.058 62.100 -0.146 0.000 1.005 363 T CB 1.502 70.295 68.868 -0.124 0.000 1.136 363 T HN 0.529 nan 8.240 nan 0.000 0.498 364 D N 0.959 121.291 120.400 -0.113 0.000 2.376 364 D HA 0.139 4.786 4.640 0.012 0.000 0.268 364 D C 1.115 177.375 176.300 -0.068 0.000 1.252 364 D CA -0.272 53.678 54.000 -0.083 0.000 1.041 364 D CB 0.111 40.867 40.800 -0.074 0.000 1.109 364 D HN 0.551 nan 8.370 nan 0.000 0.552 365 Q N -1.340 118.433 119.800 -0.045 0.000 2.436 365 Q HA 0.101 4.448 4.340 0.012 0.000 0.209 365 Q C 0.515 176.498 176.000 -0.029 0.000 0.965 365 Q CA 0.709 56.490 55.803 -0.036 0.000 0.910 365 Q CB -0.135 28.581 28.738 -0.037 0.000 0.980 365 Q HN 0.340 nan 8.270 nan 0.000 0.491 366 N N -1.084 117.616 118.700 0.001 0.000 2.235 366 N HA 0.089 4.837 4.740 0.012 0.000 0.209 366 N C -0.385 175.240 175.510 0.192 0.000 1.122 366 N CA 0.136 53.227 53.050 0.068 0.000 0.845 366 N CB 0.579 39.131 38.487 0.108 0.000 1.004 366 N HN 0.153 nan 8.380 nan 0.000 0.499 367 C N 0.584 119.954 119.300 0.117 0.000 4.497 367 C HA -0.172 4.295 4.460 0.012 0.000 0.268 367 C C 0.770 175.845 174.990 0.142 0.000 1.343 367 C CA 0.129 59.238 59.018 0.150 0.000 1.742 367 C CB -2.326 25.573 27.740 0.265 0.000 1.450 367 C HN 0.504 nan 8.230 nan 0.000 0.733 368 E N 0.794 120.945 120.200 -0.081 0.000 2.277 368 E HA 0.502 4.859 4.350 0.012 0.000 0.274 368 E C 0.801 177.192 176.600 -0.347 0.000 1.022 368 E CA 0.481 56.551 56.400 -0.549 0.000 0.853 368 E CB 1.150 30.422 29.700 -0.714 0.000 1.086 368 E HN 0.562 nan 8.360 nan 0.000 0.397 369 T N 0.530 114.848 114.554 -0.393 0.000 2.910 369 T HA 0.315 4.673 4.350 0.012 0.000 0.279 369 T C 0.975 175.537 174.700 -0.230 0.000 0.989 369 T CA -0.533 61.415 62.100 -0.253 0.000 0.968 369 T CB 1.036 69.770 68.868 -0.224 0.000 1.135 369 T HN 0.527 nan 8.240 nan 0.000 0.562 370 R N -0.498 119.910 120.500 -0.153 0.000 2.241 370 R HA 0.173 4.521 4.340 0.012 0.000 0.224 370 R C 0.254 176.483 176.300 -0.118 0.000 1.101 370 R CA 0.671 56.708 56.100 -0.105 0.000 0.995 370 R CB -0.565 29.710 30.300 -0.042 0.000 0.870 370 R HN 0.572 nan 8.270 nan 0.000 0.463 371 I N 1.799 122.273 120.570 -0.161 0.000 2.312 371 I HA 0.047 4.225 4.170 0.012 0.000 0.291 371 I C 0.232 176.168 176.117 -0.302 0.000 1.031 371 I CA -0.472 60.717 61.300 -0.184 0.000 1.293 371 I CB 1.110 39.008 38.000 -0.171 0.000 1.403 371 I HN -0.092 nan 8.210 nan 0.000 0.484 372 K N 4.926 125.143 120.400 -0.305 0.000 2.484 372 K HA 0.157 4.485 4.320 0.012 0.000 0.280 372 K C 1.161 177.310 176.600 -0.750 0.000 1.013 372 K CA 1.253 57.289 56.287 -0.417 0.000 1.029 372 K CB 0.260 32.656 32.500 -0.173 0.000 0.902 372 K HN 0.885 nan 8.250 nan 0.000 0.481 373 G N 2.845 111.330 108.800 -0.524 0.000 2.268 373 G HA2 -0.280 3.688 3.960 0.012 0.000 0.240 373 G HA3 -0.280 3.688 3.960 0.012 0.000 0.240 373 G C -0.332 174.464 174.900 -0.173 0.000 1.010 373 G CA 0.179 45.109 45.100 -0.284 0.000 0.618 373 G HN 0.551 nan 8.290 nan 0.000 0.516 374 L N 1.227 122.233 121.223 -0.360 0.000 2.290 374 L HA 0.825 5.173 4.340 0.012 0.000 0.284 374 L C -0.530 176.123 176.870 -0.362 0.000 1.078 374 L CA -0.787 53.916 54.840 -0.227 0.000 0.815 374 L CB 0.381 42.302 42.059 -0.231 0.000 1.162 374 L HN 0.067 nan 8.230 nan 0.000 0.435 375 F N 3.573 123.457 119.950 -0.111 0.000 2.577 375 F HA 0.839 5.370 4.527 0.007 0.000 0.318 375 F C 0.092 175.839 175.800 -0.088 0.000 1.065 375 F CA -0.358 57.589 58.000 -0.089 0.000 0.929 375 F CB 2.105 41.064 39.000 -0.067 0.000 1.237 375 F HN 0.603 nan 8.300 nan 0.000 0.468 376 A N 1.447 124.340 122.820 0.121 0.000 2.475 376 A HA 0.874 5.201 4.320 0.012 0.000 0.301 376 A C -1.865 175.745 177.584 0.045 0.000 1.059 376 A CA -0.817 51.243 52.037 0.038 0.000 0.710 376 A CB 1.971 20.946 19.000 -0.042 0.000 1.288 376 A HN 0.732 nan 8.150 nan 0.000 0.408 377 V N 0.865 120.796 119.914 0.028 0.000 3.120 377 V HA 0.803 4.930 4.120 0.012 0.000 0.303 377 V C 0.381 176.499 176.094 0.040 0.000 1.238 377 V CA 1.219 63.547 62.300 0.047 0.000 1.008 377 V CB 1.740 33.621 31.823 0.098 0.000 1.064 377 V HN 2.916 nan 8.190 nan 0.000 0.434 378 G N 3.980 112.819 108.800 0.065 0.000 2.545 378 G HA2 -0.203 3.765 3.960 0.012 0.000 0.216 378 G HA3 -0.203 3.765 3.960 0.012 0.000 0.216 378 G C 0.506 175.438 174.900 0.054 0.000 1.314 378 G CA 0.672 45.825 45.100 0.088 0.000 0.906 378 G HN 1.253 nan 8.290 nan 0.000 0.563 379 E N -0.538 119.685 120.200 0.038 0.000 2.268 379 E HA -0.088 4.269 4.350 0.012 0.000 0.195 379 E C 2.460 178.979 176.600 -0.135 0.000 0.995 379 E CA 1.753 58.112 56.400 -0.068 0.000 0.836 379 E CB -0.415 29.196 29.700 -0.149 0.000 0.763 379 E HN 0.966 nan 8.360 nan 0.000 0.491 380 C N 0.664 119.908 119.300 -0.095 0.000 2.546 380 C HA 0.219 4.686 4.460 0.012 0.000 0.275 380 C C 1.178 176.108 174.990 -0.101 0.000 1.393 380 C CA -0.200 58.752 59.018 -0.110 0.000 1.703 380 C CB -1.775 25.903 27.740 -0.102 0.000 1.710 380 C HN 0.247 nan 8.230 nan 0.000 0.581 381 S N -0.534 115.115 115.700 -0.085 0.000 2.715 381 S HA 0.646 5.123 4.470 0.012 0.000 0.307 381 S C -0.477 174.061 174.600 -0.104 0.000 1.119 381 S CA -0.203 57.940 58.200 -0.096 0.000 0.937 381 S CB 1.515 64.663 63.200 -0.087 0.000 1.150 381 S HN 0.355 nan 8.310 nan 0.000 0.521 382 S N 1.119 116.737 115.700 -0.137 0.000 2.269 382 S HA 0.310 4.787 4.470 0.012 0.000 0.194 382 S C 0.898 175.365 174.600 -0.222 0.000 1.547 382 S CA -0.331 57.772 58.200 -0.161 0.000 1.186 382 S CB -0.525 62.572 63.200 -0.172 0.000 1.069 382 S HN 1.076 nan 8.310 nan 0.000 0.473 383 V N 1.862 121.606 119.914 -0.284 0.000 2.407 383 V HA 0.271 4.398 4.120 0.012 0.000 0.248 383 V C 1.602 177.506 176.094 -0.315 0.000 1.055 383 V CA 1.624 63.700 62.300 -0.373 0.000 1.049 383 V CB -1.249 30.147 31.823 -0.711 0.000 0.662 383 V HN 1.147 nan 8.190 nan 0.000 0.455 384 G N -0.394 108.222 108.800 -0.307 0.000 2.164 384 G HA2 -0.174 3.794 3.960 0.012 0.000 0.154 384 G HA3 -0.174 3.794 3.960 0.012 0.000 0.154 384 G C 0.269 175.017 174.900 -0.253 0.000 1.014 384 G CA 0.223 45.191 45.100 -0.220 0.000 0.683 384 G HN 0.552 nan 8.290 nan 0.000 0.500 385 L N 0.488 121.444 121.223 -0.444 0.000 2.044 385 L HA 0.297 4.644 4.340 0.012 0.000 0.205 385 L C 2.147 178.651 176.870 -0.610 0.000 1.075 385 L CA 2.377 56.829 54.840 -0.648 0.000 0.747 385 L CB -0.463 40.946 42.059 -1.083 0.000 0.903 385 L HN 0.372 nan 8.230 nan 0.000 0.435 386 H N -0.652 118.296 119.070 -0.204 0.000 2.575 386 H HA 0.342 4.905 4.556 0.012 0.000 0.267 386 H C 1.516 176.748 175.328 -0.161 0.000 0.966 386 H CA 0.449 56.399 56.048 -0.163 0.000 1.165 386 H CB -0.225 29.487 29.762 -0.084 0.000 1.433 386 H HN 0.424 nan 8.280 nan 0.000 0.544 387 G N 1.546 110.304 108.800 -0.070 0.000 2.684 387 G HA2 -0.425 3.542 3.960 0.012 0.000 0.332 387 G HA3 -0.425 3.542 3.960 0.012 0.000 0.332 387 G C 1.290 175.992 174.900 -0.330 0.000 1.306 387 G CA 1.443 46.456 45.100 -0.146 0.000 1.002 387 G HN 0.549 nan 8.290 nan 0.000 0.545 388 A N -0.127 122.373 122.820 -0.533 0.000 2.251 388 A HA 0.474 4.802 4.320 0.012 0.000 0.209 388 A C 0.876 178.349 177.584 -0.185 0.000 1.187 388 A CA 1.367 52.888 52.037 -0.860 0.000 0.823 388 A CB -0.157 18.409 19.000 -0.724 0.000 0.846 388 A HN 0.942 nan 8.150 nan 0.000 0.486 389 N N -0.565 118.088 118.700 -0.078 0.000 3.392 389 N HA 0.079 4.826 4.740 0.012 0.000 0.223 389 N C -1.052 174.462 175.510 0.008 0.000 1.137 389 N CA -0.348 52.710 53.050 0.014 0.000 0.991 389 N CB 1.004 39.503 38.487 0.021 0.000 1.602 389 N HN 0.454 nan 8.380 nan 0.000 0.702 390 R N 1.808 122.293 120.500 -0.024 0.000 2.679 390 R HA 0.232 4.579 4.340 0.012 0.000 0.268 390 R C -0.335 175.941 176.300 -0.041 0.000 1.044 390 R CA -0.175 55.851 56.100 -0.124 0.000 1.105 390 R CB 0.520 30.456 30.300 -0.606 0.000 0.989 390 R HN 0.382 nan 8.270 nan 0.000 0.447 391 L N 2.662 123.910 121.223 0.041 0.000 2.371 391 L HA 0.288 4.636 4.340 0.012 0.000 0.272 391 L C 0.523 177.458 176.870 0.108 0.000 1.124 391 L CA 0.628 55.522 54.840 0.090 0.000 0.816 391 L CB 1.382 43.539 42.059 0.164 0.000 1.129 391 L HN 0.824 nan 8.230 nan 0.000 0.448 392 G N 1.852 110.749 108.800 0.162 0.000 2.305 392 G HA2 0.349 4.316 3.960 0.012 0.000 0.243 392 G HA3 0.349 4.316 3.960 0.012 0.000 0.243 392 G C 0.690 175.800 174.900 0.351 0.000 1.288 392 G CA 0.506 45.784 45.100 0.297 0.000 0.901 392 G HN 1.438 nan 8.290 nan 0.000 0.516 393 S N 0.950 116.813 115.700 0.271 0.000 2.857 393 S HA -0.264 4.213 4.470 0.012 0.000 0.268 393 S C 1.330 176.053 174.600 0.205 0.000 1.297 393 S CA 1.261 59.558 58.200 0.161 0.000 1.280 393 S CB -1.712 61.535 63.200 0.079 0.000 1.562 393 S HN 0.614 nan 8.310 nan 0.000 0.661 394 N N 1.388 120.231 118.700 0.237 0.000 2.457 394 N HA 0.173 4.921 4.740 0.012 0.000 0.180 394 N C 1.642 177.349 175.510 0.328 0.000 1.050 394 N CA 1.209 54.480 53.050 0.367 0.000 0.906 394 N CB -0.257 38.444 38.487 0.357 0.000 0.968 394 N HN 0.705 nan 8.380 nan 0.000 0.445 395 S N 0.143 115.917 115.700 0.123 0.000 2.371 395 S HA 0.080 4.558 4.470 0.012 0.000 0.224 395 S C 1.849 176.578 174.600 0.216 0.000 1.029 395 S CA 0.504 58.769 58.200 0.108 0.000 0.978 395 S CB -0.157 62.978 63.200 -0.108 0.000 0.833 395 S HN 0.212 nan 8.310 nan 0.000 0.466 396 L N 1.356 122.695 121.223 0.192 0.000 2.012 396 L HA -0.094 4.253 4.340 0.012 0.000 0.210 396 L C 3.049 180.063 176.870 0.240 0.000 1.073 396 L CA 1.371 56.335 54.840 0.207 0.000 0.748 396 L CB -0.859 41.316 42.059 0.193 0.000 0.891 396 L HN 0.429 nan 8.230 nan 0.000 0.431 397 A N 0.003 122.984 122.820 0.268 0.000 1.883 397 A HA -0.281 4.047 4.320 0.012 0.000 0.217 397 A C 2.309 180.159 177.584 0.444 0.000 1.186 397 A CA 1.980 54.175 52.037 0.262 0.000 0.624 397 A CB -0.629 18.519 19.000 0.246 0.000 0.822 397 A HN 0.532 nan 8.150 nan 0.000 0.444 398 E N 0.098 120.687 120.200 0.648 0.000 2.118 398 E HA -0.191 4.166 4.350 0.012 0.000 0.195 398 E C 1.878 178.778 176.600 0.501 0.000 0.992 398 E CA 1.227 58.059 56.400 0.719 0.000 0.804 398 E CB -0.289 29.681 29.700 0.449 0.000 0.741 398 E HN 0.652 nan 8.360 nan 0.000 0.458 399 L N 0.743 122.172 121.223 0.344 0.000 2.042 399 L HA -0.182 4.166 4.340 0.012 0.000 0.210 399 L C 2.741 179.749 176.870 0.229 0.000 1.076 399 L CA 1.446 56.442 54.840 0.260 0.000 0.749 399 L CB -0.630 41.552 42.059 0.204 0.000 0.893 399 L HN 0.224 nan 8.230 nan 0.000 0.432 400 V N -4.923 115.116 119.914 0.208 0.000 2.725 400 V HA -0.012 4.116 4.120 0.012 0.000 0.247 400 V C 2.208 178.362 176.094 0.100 0.000 1.058 400 V CA 0.621 63.013 62.300 0.154 0.000 1.080 400 V CB -0.187 31.720 31.823 0.141 0.000 0.713 400 V HN 0.133 nan 8.190 nan 0.000 0.465 401 V N 0.213 120.184 119.914 0.095 0.000 2.270 401 V HA -0.125 4.003 4.120 0.012 0.000 0.245 401 V C 2.422 178.431 176.094 -0.141 0.000 1.043 401 V CA 2.528 64.778 62.300 -0.084 0.000 1.014 401 V CB -0.876 30.844 31.823 -0.172 0.000 0.645 401 V HN 0.490 nan 8.190 nan 0.000 0.447 402 F N 1.084 121.155 119.950 0.201 0.000 2.416 402 F HA 0.159 4.692 4.527 0.011 0.000 0.296 402 F C 2.411 178.261 175.800 0.084 0.000 1.099 402 F CA 1.008 59.097 58.000 0.148 0.000 1.427 402 F CB -1.054 38.027 39.000 0.134 0.000 1.079 402 F HN 0.183 nan 8.300 nan 0.000 0.536 403 G N 0.244 109.184 108.800 0.232 0.000 2.469 403 G HA2 -0.295 3.673 3.960 0.012 0.000 0.219 403 G HA3 -0.295 3.673 3.960 0.012 0.000 0.219 403 G C 1.835 176.779 174.900 0.073 0.000 1.150 403 G CA 0.814 45.993 45.100 0.133 0.000 0.763 403 G HN 0.208 nan 8.290 nan 0.000 0.561 404 R N -0.390 120.150 120.500 0.067 0.000 2.083 404 R HA -0.069 4.278 4.340 0.012 0.000 0.237 404 R C 2.534 178.832 176.300 -0.004 0.000 1.137 404 R CA 1.615 57.731 56.100 0.028 0.000 0.951 404 R CB -0.493 29.818 30.300 0.019 0.000 0.851 404 R HN 0.367 nan 8.270 nan 0.000 0.434 405 L N 0.892 122.118 121.223 0.007 0.000 1.989 405 L HA -0.136 4.212 4.340 0.012 0.000 0.211 405 L C 2.375 179.220 176.870 -0.041 0.000 1.071 405 L CA 2.313 57.145 54.840 -0.014 0.000 0.749 405 L CB -0.888 41.171 42.059 -0.001 0.000 0.890 405 L HN 0.263 nan 8.230 nan 0.000 0.431 406 A N -0.515 122.296 122.820 -0.014 0.000 1.917 406 A HA -0.178 4.150 4.320 0.012 0.000 0.219 406 A C 2.367 179.771 177.584 -0.299 0.000 1.182 406 A CA 1.927 53.876 52.037 -0.148 0.000 0.633 406 A CB -1.722 17.250 19.000 -0.046 0.000 0.819 406 A HN 0.574 nan 8.150 nan 0.000 0.448 407 G N -0.733 107.966 108.800 -0.168 0.000 2.440 407 G HA2 -0.229 3.739 3.960 0.012 0.000 0.218 407 G HA3 -0.229 3.739 3.960 0.012 0.000 0.218 407 G C 1.466 176.259 174.900 -0.179 0.000 1.154 407 G CA 1.138 46.138 45.100 -0.168 0.000 0.767 407 G HN 0.673 nan 8.290 nan 0.000 0.552 408 E N -0.254 119.863 120.200 -0.138 0.000 2.046 408 E HA -0.070 4.288 4.350 0.012 0.000 0.190 408 E C 2.798 179.318 176.600 -0.133 0.000 0.982 408 E CA 0.701 57.036 56.400 -0.108 0.000 0.800 408 E CB -0.057 29.605 29.700 -0.063 0.000 0.756 408 E HN 0.234 nan 8.360 nan 0.000 0.449 409 Q N 0.294 119.991 119.800 -0.172 0.000 2.084 409 Q HA -0.136 4.211 4.340 0.012 0.000 0.202 409 Q C 2.229 178.060 176.000 -0.282 0.000 0.978 409 Q CA 1.495 57.209 55.803 -0.147 0.000 0.844 409 Q CB -0.404 28.291 28.738 -0.072 0.000 0.898 409 Q HN 0.262 nan 8.270 nan 0.000 0.426 410 A N 0.191 122.592 122.820 -0.698 0.000 1.933 410 A HA -0.146 4.182 4.320 0.012 0.000 0.218 410 A C 2.364 179.819 177.584 -0.215 0.000 1.175 410 A CA 1.887 53.496 52.037 -0.714 0.000 0.628 410 A CB -0.759 17.765 19.000 -0.794 0.000 0.814 410 A HN 0.356 nan 8.150 nan 0.000 0.444 411 T N -0.260 114.188 114.554 -0.176 0.000 2.746 411 T HA -0.128 4.230 4.350 0.012 0.000 0.267 411 T C 1.808 176.488 174.700 -0.033 0.000 1.039 411 T CA 1.731 63.781 62.100 -0.085 0.000 1.142 411 T CB -0.206 68.612 68.868 -0.082 0.000 0.866 411 T HN 0.663 nan 8.240 nan 0.000 0.444 412 E N 0.385 120.571 120.200 -0.024 0.000 2.031 412 E HA -0.143 4.215 4.350 0.012 0.000 0.193 412 E C 2.507 179.139 176.600 0.054 0.000 0.994 412 E CA 0.966 57.376 56.400 0.017 0.000 0.800 412 E CB -0.107 29.608 29.700 0.025 0.000 0.752 412 E HN 0.086 nan 8.360 nan 0.000 0.447 413 R N 0.792 121.353 120.500 0.100 0.000 2.103 413 R HA -0.171 4.177 4.340 0.012 0.000 0.242 413 R C 2.064 178.445 176.300 0.135 0.000 1.142 413 R CA 1.647 57.845 56.100 0.163 0.000 0.960 413 R CB -0.672 29.812 30.300 0.306 0.000 0.858 413 R HN 0.211 nan 8.270 nan 0.000 0.439 414 A N -0.071 122.806 122.820 0.095 0.000 1.883 414 A HA -0.114 4.214 4.320 0.012 0.000 0.217 414 A C 2.336 179.952 177.584 0.053 0.000 1.186 414 A CA 1.907 53.989 52.037 0.075 0.000 0.624 414 A CB -1.094 17.929 19.000 0.039 0.000 0.822 414 A HN 0.458 nan 8.150 nan 0.000 0.444 415 A N -0.602 122.240 122.820 0.037 0.000 1.978 415 A HA -0.062 4.266 4.320 0.012 0.000 0.220 415 A C 2.092 179.692 177.584 0.026 0.000 1.170 415 A CA 2.266 54.318 52.037 0.025 0.000 0.636 415 A CB -0.963 18.047 19.000 0.017 0.000 0.810 415 A HN 0.885 nan 8.150 nan 0.000 0.448 416 T N -4.339 110.239 114.554 0.038 0.000 3.174 416 T HA 0.615 4.973 4.350 0.012 0.000 0.269 416 T C 1.308 176.022 174.700 0.024 0.000 1.017 416 T CA 0.670 62.788 62.100 0.030 0.000 0.899 416 T CB 0.461 69.351 68.868 0.037 0.000 1.077 416 T HN 0.400 nan 8.240 nan 0.000 0.552 417 A N 1.831 124.667 122.820 0.027 0.000 1.854 417 A HA 0.563 4.891 4.320 0.012 0.000 0.214 417 A C 1.740 179.267 177.584 -0.095 0.000 1.192 417 A CA 0.766 52.792 52.037 -0.018 0.000 0.611 417 A CB -1.322 17.701 19.000 0.038 0.000 0.832 417 A HN 1.583 nan 8.150 nan 0.000 0.442 418 G N -0.840 107.927 108.800 -0.055 0.000 2.880 418 G HA2 -0.198 3.769 3.960 0.012 0.000 0.617 418 G HA3 -0.198 3.769 3.960 0.012 0.000 0.617 418 G C -0.467 174.381 174.900 -0.086 0.000 1.493 418 G CA -0.152 44.911 45.100 -0.061 0.000 0.916 418 G HN 0.680 nan 8.290 nan 0.000 0.553 419 N N 0.350 119.013 118.700 -0.061 0.000 2.503 419 N HA 0.485 5.232 4.740 0.012 0.000 0.267 419 N C 0.819 176.290 175.510 -0.066 0.000 1.214 419 N CA 0.645 53.665 53.050 -0.051 0.000 0.959 419 N CB 1.269 39.739 38.487 -0.029 0.000 1.142 419 N HN 0.956 nan 8.380 nan 0.000 0.455 420 G N 0.119 108.891 108.800 -0.047 0.000 2.601 420 G HA2 0.041 4.009 3.960 0.012 0.000 0.317 420 G HA3 0.041 4.009 3.960 0.012 0.000 0.317 420 G C -0.161 174.729 174.900 -0.016 0.000 1.246 420 G CA -0.446 44.633 45.100 -0.035 0.000 1.012 420 G HN 0.527 nan 8.290 nan 0.000 0.494 421 N N 0.253 118.949 118.700 -0.006 0.000 2.508 421 N HA 0.001 4.749 4.740 0.012 0.000 0.253 421 N C 1.171 176.684 175.510 0.005 0.000 1.145 421 N CA -0.196 52.853 53.050 -0.001 0.000 0.973 421 N CB 1.226 39.713 38.487 0.001 0.000 1.305 421 N HN 0.576 nan 8.380 nan 0.000 0.506 422 E N 4.037 124.239 120.200 0.003 0.000 2.113 422 E HA -0.273 4.085 4.350 0.012 0.000 0.210 422 E C 1.480 178.085 176.600 0.008 0.000 1.040 422 E CA 2.363 58.766 56.400 0.005 0.000 0.847 422 E CB -0.288 29.414 29.700 0.002 0.000 0.755 422 E HN 0.676 nan 8.360 nan 0.000 0.459 423 A N 0.242 123.066 122.820 0.006 0.000 1.933 423 A HA -0.035 4.292 4.320 0.012 0.000 0.218 423 A C 2.420 180.011 177.584 0.011 0.000 1.175 423 A CA 2.296 54.337 52.037 0.007 0.000 0.628 423 A CB -0.942 18.061 19.000 0.005 0.000 0.814 423 A HN 0.428 nan 8.150 nan 0.000 0.444 424 A N 0.007 122.835 122.820 0.012 0.000 1.898 424 A HA -0.016 4.312 4.320 0.012 0.000 0.216 424 A C 2.096 179.694 177.584 0.023 0.000 1.181 424 A CA 1.394 53.441 52.037 0.017 0.000 0.620 424 A CB -0.557 18.454 19.000 0.018 0.000 0.819 424 A HN 0.506 nan 8.150 nan 0.000 0.442 425 I N -0.810 119.774 120.570 0.023 0.000 2.202 425 I HA -0.226 3.951 4.170 0.012 0.000 0.242 425 I C 2.499 178.631 176.117 0.026 0.000 1.091 425 I CA 1.875 63.192 61.300 0.027 0.000 1.368 425 I CB -0.398 37.617 38.000 0.024 0.000 1.058 425 I HN 0.432 nan 8.210 nan 0.000 0.410 426 E N 1.148 121.359 120.200 0.020 0.000 2.274 426 E HA -0.134 4.224 4.350 0.012 0.000 0.194 426 E C 2.180 178.792 176.600 0.019 0.000 0.996 426 E CA 0.915 57.326 56.400 0.019 0.000 0.840 426 E CB 0.061 29.769 29.700 0.013 0.000 0.772 426 E HN 0.459 nan 8.360 nan 0.000 0.491 427 A N 0.654 123.485 122.820 0.018 0.000 1.902 427 A HA -0.215 4.113 4.320 0.012 0.000 0.217 427 A C 2.121 179.719 177.584 0.023 0.000 1.181 427 A CA 1.195 53.242 52.037 0.017 0.000 0.623 427 A CB -0.422 18.587 19.000 0.015 0.000 0.818 427 A HN 0.221 nan 8.150 nan 0.000 0.443 428 Q N -0.438 119.381 119.800 0.031 0.000 2.077 428 Q HA -0.212 4.136 4.340 0.012 0.000 0.206 428 Q C 2.459 178.484 176.000 0.043 0.000 0.989 428 Q CA 1.865 57.694 55.803 0.044 0.000 0.853 428 Q CB -0.720 28.052 28.738 0.057 0.000 0.907 428 Q HN 0.664 nan 8.270 nan 0.000 0.418 429 A N 0.767 123.608 122.820 0.036 0.000 1.933 429 A HA -0.062 4.266 4.320 0.012 0.000 0.218 429 A C 2.298 179.900 177.584 0.029 0.000 1.175 429 A CA 1.834 53.892 52.037 0.035 0.000 0.628 429 A CB -0.581 18.438 19.000 0.031 0.000 0.814 429 A HN 0.379 nan 8.150 nan 0.000 0.444 430 A N -0.458 122.375 122.820 0.023 0.000 1.969 430 A HA 0.178 4.505 4.320 0.012 0.000 0.218 430 A C 2.378 179.972 177.584 0.016 0.000 1.169 430 A CA 1.723 53.770 52.037 0.017 0.000 0.635 430 A CB -1.312 17.695 19.000 0.013 0.000 0.810 430 A HN 0.705 nan 8.150 nan 0.000 0.445 431 G N -0.164 108.648 108.800 0.019 0.000 2.440 431 G HA2 -0.179 3.789 3.960 0.012 0.000 0.218 431 G HA3 -0.179 3.789 3.960 0.012 0.000 0.218 431 G C 1.520 176.432 174.900 0.020 0.000 1.154 431 G CA 1.425 46.535 45.100 0.016 0.000 0.767 431 G HN 0.318 nan 8.290 nan 0.000 0.552 432 V N 0.750 120.683 119.914 0.031 0.000 2.220 432 V HA -0.218 3.910 4.120 0.012 0.000 0.246 432 V C 2.552 178.661 176.094 0.024 0.000 1.049 432 V CA 2.397 64.720 62.300 0.038 0.000 1.003 432 V CB -0.728 31.126 31.823 0.053 0.000 0.634 432 V HN 0.583 nan 8.190 nan 0.000 0.444 433 E N -0.301 119.911 120.200 0.021 0.000 2.114 433 E HA -0.369 3.989 4.350 0.012 0.000 0.199 433 E C 2.221 178.822 176.600 0.002 0.000 1.008 433 E CA 2.022 58.428 56.400 0.011 0.000 0.810 433 E CB -0.123 29.584 29.700 0.012 0.000 0.739 433 E HN 0.583 nan 8.360 nan 0.000 0.456 434 Q N 0.977 120.779 119.800 0.003 0.000 1.990 434 Q HA -0.149 4.199 4.340 0.012 0.000 0.200 434 Q C 2.111 178.108 176.000 -0.006 0.000 0.980 434 Q CA 1.962 57.763 55.803 -0.003 0.000 0.832 434 Q CB -0.366 28.372 28.738 -0.001 0.000 0.897 434 Q HN 0.180 nan 8.270 nan 0.000 0.427 435 R N -0.572 119.928 120.500 -0.001 0.000 2.117 435 R HA -0.182 4.165 4.340 0.012 0.000 0.243 435 R C 2.188 178.483 176.300 -0.008 0.000 1.143 435 R CA 1.448 57.547 56.100 -0.002 0.000 0.968 435 R CB -0.474 29.830 30.300 0.006 0.000 0.863 435 R HN 0.371 nan 8.270 nan 0.000 0.444 436 L N 1.473 122.692 121.223 -0.008 0.000 1.976 436 L HA -0.199 4.148 4.340 0.012 0.000 0.209 436 L C 1.718 178.566 176.870 -0.037 0.000 1.071 436 L CA 1.920 56.746 54.840 -0.022 0.000 0.746 436 L CB -0.425 41.623 42.059 -0.019 0.000 0.890 436 L HN 0.031 nan 8.230 nan 0.000 0.432 437 K N -0.495 119.887 120.400 -0.031 0.000 2.113 437 K HA -0.216 4.111 4.320 0.012 0.000 0.208 437 K C 1.786 178.362 176.600 -0.040 0.000 1.047 437 K CA 1.593 57.858 56.287 -0.036 0.000 0.928 437 K CB -0.479 32.006 32.500 -0.026 0.000 0.716 437 K HN 0.419 nan 8.250 nan 0.000 0.446 438 D N 1.121 121.500 120.400 -0.034 0.000 2.104 438 D HA -0.169 4.478 4.640 0.012 0.000 0.194 438 D C 1.849 178.117 176.300 -0.054 0.000 0.994 438 D CA 0.909 54.887 54.000 -0.037 0.000 0.830 438 D CB -0.215 40.569 40.800 -0.026 0.000 0.959 438 D HN 0.063 nan 8.370 nan 0.000 0.452 439 L N 0.277 121.464 121.223 -0.060 0.000 2.141 439 L HA -0.098 4.250 4.340 0.012 0.000 0.209 439 L C 2.089 178.893 176.870 -0.109 0.000 1.094 439 L CA 1.033 55.819 54.840 -0.091 0.000 0.763 439 L CB -0.064 41.949 42.059 -0.077 0.000 0.908 439 L HN -0.138 nan 8.230 nan 0.000 0.437 440 V N 0.159 120.018 119.914 -0.090 0.000 2.358 440 V HA -0.199 3.928 4.120 0.012 0.000 0.246 440 V C 2.134 178.181 176.094 -0.078 0.000 1.047 440 V CA 1.796 64.042 62.300 -0.091 0.000 1.035 440 V CB -0.854 30.922 31.823 -0.079 0.000 0.658 440 V HN 0.515 nan 8.190 nan 0.000 0.452 441 N N -0.026 118.634 118.700 -0.066 0.000 2.457 441 N HA -0.053 4.694 4.740 0.012 0.000 0.180 441 N C 1.132 176.605 175.510 -0.062 0.000 1.050 441 N CA 0.195 53.212 53.050 -0.056 0.000 0.906 441 N CB -0.248 38.212 38.487 -0.044 0.000 0.968 441 N HN 0.682 nan 8.380 nan 0.000 0.445 442 Q N 1.359 121.112 119.800 -0.078 0.000 2.310 442 Q HA -0.080 4.267 4.340 0.012 0.000 0.315 442 Q C -0.740 175.209 176.000 -0.086 0.000 1.081 442 Q CA 0.761 56.510 55.803 -0.090 0.000 0.981 442 Q CB 0.488 29.147 28.738 -0.132 0.000 1.184 442 Q HN 0.079 nan 8.270 nan 0.000 0.389 443 D N 1.632 121.988 120.400 -0.072 0.000 2.490 443 D HA 0.583 5.230 4.640 0.012 0.000 0.232 443 D C -0.078 176.187 176.300 -0.058 0.000 1.053 443 D CA 0.114 54.078 54.000 -0.060 0.000 0.914 443 D CB 1.822 42.596 40.800 -0.043 0.000 1.431 443 D HN 0.708 nan 8.370 nan 0.000 0.483 444 G N 0.099 108.871 108.800 -0.047 0.000 3.942 444 G HA2 0.150 4.118 3.960 0.012 0.000 0.219 444 G HA3 0.150 4.118 3.960 0.012 0.000 0.219 444 G C 0.876 175.760 174.900 -0.027 0.000 0.869 444 G CA 0.430 45.508 45.100 -0.037 0.000 0.851 444 G HN 1.280 nan 8.290 nan 0.000 0.560 445 G N 0.073 108.859 108.800 -0.025 0.000 2.148 445 G HA2 -0.243 3.725 3.960 0.012 0.000 0.254 445 G HA3 -0.243 3.725 3.960 0.012 0.000 0.254 445 G C -0.007 174.891 174.900 -0.003 0.000 0.981 445 G CA 0.644 45.737 45.100 -0.011 0.000 0.670 445 G HN 0.613 nan 8.290 nan 0.000 0.528 446 E N 0.505 120.701 120.200 -0.006 0.000 2.316 446 E HA 0.180 4.537 4.350 0.012 0.000 0.275 446 E C 0.200 176.824 176.600 0.040 0.000 1.029 446 E CA -0.579 55.826 56.400 0.009 0.000 0.871 446 E CB 0.797 30.500 29.700 0.006 0.000 1.022 446 E HN 0.267 nan 8.360 nan 0.000 0.418 447 N N 4.502 123.223 118.700 0.036 0.000 2.401 447 N HA -0.038 4.709 4.740 0.012 0.000 0.255 447 N C 1.231 176.767 175.510 0.043 0.000 1.110 447 N CA -0.341 52.740 53.050 0.051 0.000 0.949 447 N CB 0.291 38.764 38.487 -0.024 0.000 1.110 447 N HN 0.583 nan 8.380 nan 0.000 0.490 448 W N 4.482 125.795 121.300 0.022 0.000 2.318 448 W HA -0.261 4.408 4.660 0.014 0.000 0.313 448 W C 1.049 177.607 176.519 0.066 0.000 1.221 448 W CA 1.367 58.754 57.345 0.069 0.000 1.266 448 W CB -1.442 28.074 29.460 0.092 0.000 1.150 448 W HN 0.547 nan 8.180 nan 0.000 0.496 449 A N 1.888 123.805 122.820 -1.504 0.000 1.958 449 A HA -0.261 4.066 4.320 0.012 0.000 0.221 449 A C 2.040 179.285 177.584 -0.565 0.000 1.178 449 A CA 2.666 53.908 52.037 -1.324 0.000 0.642 449 A CB -0.683 17.740 19.000 -0.962 0.000 0.816 449 A HN 0.173 nan 8.150 nan 0.000 0.453 450 K N -0.208 119.998 120.400 -0.324 0.000 2.062 450 K HA 0.072 4.400 4.320 0.012 0.000 0.205 450 K C 1.780 178.302 176.600 -0.129 0.000 1.051 450 K CA 1.141 57.320 56.287 -0.180 0.000 0.941 450 K CB -0.697 31.740 32.500 -0.106 0.000 0.719 450 K HN 0.643 nan 8.250 nan 0.000 0.440 451 I N 0.660 121.184 120.570 -0.076 0.000 2.179 451 I HA -0.277 3.900 4.170 0.012 0.000 0.242 451 I C 2.704 178.797 176.117 -0.039 0.000 1.088 451 I CA 1.083 62.380 61.300 -0.005 0.000 1.357 451 I CB -0.286 37.785 38.000 0.118 0.000 1.051 451 I HN 0.183 nan 8.210 nan 0.000 0.409 452 R N 1.235 121.691 120.500 -0.073 0.000 2.122 452 R HA -0.266 4.082 4.340 0.012 0.000 0.236 452 R C 1.981 178.196 176.300 -0.143 0.000 1.129 452 R CA 2.585 58.622 56.100 -0.104 0.000 0.925 452 R CB -0.410 29.736 30.300 -0.256 0.000 0.850 452 R HN 0.291 nan 8.270 nan 0.000 0.431 453 D N 0.063 120.351 120.400 -0.187 0.000 2.158 453 D HA -0.168 4.480 4.640 0.012 0.000 0.197 453 D C 1.826 178.045 176.300 -0.135 0.000 0.995 453 D CA 1.411 55.311 54.000 -0.168 0.000 0.846 453 D CB -0.149 40.555 40.800 -0.161 0.000 0.941 453 D HN 0.476 nan 8.370 nan 0.000 0.456 454 E N -0.306 119.829 120.200 -0.108 0.000 2.112 454 E HA -0.068 4.289 4.350 0.012 0.000 0.190 454 E C 2.055 178.600 176.600 -0.091 0.000 0.979 454 E CA 0.105 56.455 56.400 -0.084 0.000 0.814 454 E CB -0.004 29.660 29.700 -0.060 0.000 0.762 454 E HN 0.244 nan 8.360 nan 0.000 0.460 455 M N 0.421 119.962 119.600 -0.097 0.000 2.065 455 M HA -0.137 4.350 4.480 0.012 0.000 0.259 455 M C 2.253 178.455 176.300 -0.164 0.000 1.071 455 M CA 2.224 57.453 55.300 -0.120 0.000 1.109 455 M CB -0.452 32.083 32.600 -0.108 0.000 1.313 455 M HN 0.145 nan 8.290 nan 0.000 0.408 456 G N 0.721 109.421 108.800 -0.166 0.000 2.505 456 G HA2 -0.246 3.722 3.960 0.012 0.000 0.220 456 G HA3 -0.246 3.722 3.960 0.012 0.000 0.220 456 G C 1.428 176.222 174.900 -0.176 0.000 1.145 456 G CA 1.255 46.239 45.100 -0.192 0.000 0.761 456 G HN 0.494 nan 8.290 nan 0.000 0.571 457 L N 0.450 121.585 121.223 -0.146 0.000 2.027 457 L HA -0.006 4.342 4.340 0.012 0.000 0.206 457 L C 3.419 180.247 176.870 -0.070 0.000 1.074 457 L CA 1.021 55.802 54.840 -0.098 0.000 0.745 457 L CB -0.401 41.612 42.059 -0.076 0.000 0.898 457 L HN 0.303 nan 8.230 nan 0.000 0.433 458 A N -0.391 122.374 122.820 -0.090 0.000 1.933 458 A HA -0.204 4.124 4.320 0.012 0.000 0.218 458 A C 2.298 179.821 177.584 -0.101 0.000 1.175 458 A CA 1.452 53.442 52.037 -0.079 0.000 0.628 458 A CB -0.339 18.609 19.000 -0.085 0.000 0.814 458 A HN 0.265 nan 8.150 nan 0.000 0.444 459 M N -0.734 118.746 119.600 -0.200 0.000 2.080 459 M HA -0.141 4.346 4.480 0.012 0.000 0.260 459 M C 1.930 178.209 176.300 -0.035 0.000 1.068 459 M CA 1.861 56.955 55.300 -0.343 0.000 1.109 459 M CB -1.508 30.513 32.600 -0.965 0.000 1.342 459 M HN 0.500 nan 8.290 nan 0.000 0.405 460 E N 0.333 120.586 120.200 0.088 0.000 2.077 460 E HA -0.170 4.188 4.350 0.012 0.000 0.193 460 E C 2.052 178.766 176.600 0.190 0.000 0.989 460 E CA 1.386 57.954 56.400 0.280 0.000 0.800 460 E CB -0.035 29.810 29.700 0.241 0.000 0.746 460 E HN 0.496 nan 8.360 nan 0.000 0.452 461 E N -1.422 118.838 120.200 0.099 0.000 2.072 461 E HA -0.077 4.281 4.350 0.012 0.000 0.190 461 E C 1.654 178.299 176.600 0.075 0.000 0.982 461 E CA 1.093 57.542 56.400 0.081 0.000 0.803 461 E CB -0.054 29.676 29.700 0.050 0.000 0.755 461 E HN 0.322 nan 8.360 nan 0.000 0.453 462 G N -1.155 107.674 108.800 0.049 0.000 3.020 462 G HA2 -0.016 3.951 3.960 0.012 0.000 0.217 462 G HA3 -0.016 3.951 3.960 0.012 0.000 0.217 462 G C 0.608 175.533 174.900 0.042 0.000 1.144 462 G CA -0.060 45.059 45.100 0.033 0.000 0.760 462 G HN 0.236 nan 8.290 nan 0.000 0.548 463 C N 1.360 120.715 119.300 0.091 0.000 3.025 463 C HA 0.612 5.079 4.460 0.012 0.000 0.240 463 C C 1.407 176.554 174.990 0.261 0.000 2.061 463 C CA -0.669 58.434 59.018 0.142 0.000 1.571 463 C CB -0.527 27.287 27.740 0.123 0.000 3.075 463 C HN 0.414 nan 8.230 nan 0.000 0.479 464 G N 0.198 109.080 108.800 0.137 0.000 2.782 464 G HA2 0.502 4.469 3.960 0.012 0.000 0.201 464 G HA3 0.502 4.469 3.960 0.012 0.000 0.201 464 G C 0.945 175.670 174.900 -0.291 0.000 1.374 464 G CA -0.333 44.774 45.100 0.012 0.000 1.039 464 G HN 0.200 nan 8.290 nan 0.000 0.576 465 I N -0.786 119.412 120.570 -0.621 0.000 2.099 465 I HA -0.088 4.090 4.170 0.012 0.000 0.239 465 I C 0.552 176.228 176.117 -0.735 0.000 1.066 465 I CA 1.206 62.068 61.300 -0.730 0.000 1.324 465 I CB -0.259 37.293 38.000 -0.746 0.000 1.037 465 I HN 0.175 nan 8.210 nan 0.000 0.401 466 Y N 0.212 120.160 120.300 -0.586 0.000 2.387 466 Y HA 0.518 5.076 4.550 0.013 0.000 0.330 466 Y C 0.185 175.870 175.900 -0.357 0.000 1.133 466 Y CA -0.643 57.105 58.100 -0.587 0.000 1.152 466 Y CB 1.097 38.932 38.460 -1.040 0.000 1.215 466 Y HN -0.070 nan 8.280 nan 0.000 0.466 467 R N 0.846 121.294 120.500 -0.087 0.000 2.686 467 R HA 0.566 4.914 4.340 0.012 0.000 0.286 467 R C -1.040 175.235 176.300 -0.042 0.000 0.969 467 R CA -0.821 55.242 56.100 -0.062 0.000 0.898 467 R CB 2.136 32.391 30.300 -0.075 0.000 1.183 467 R HN 0.768 nan 8.270 nan 0.000 0.456 468 T N -1.250 113.299 114.554 -0.007 0.000 2.906 468 T HA 0.391 4.749 4.350 0.012 0.000 0.295 468 T C -2.371 172.334 174.700 0.009 0.000 1.075 468 T CA -2.109 59.992 62.100 0.001 0.000 1.005 468 T CB 2.438 71.320 68.868 0.022 0.000 1.136 468 T HN 0.162 nan 8.240 nan 0.000 0.498 469 P HA 0.027 nan 4.420 nan 0.000 0.219 469 P C 1.338 178.647 177.300 0.015 0.000 1.150 469 P CA 0.781 63.889 63.100 0.014 0.000 0.814 469 P CB 0.247 31.956 31.700 0.016 0.000 0.787 470 E N -0.165 120.046 120.200 0.019 0.000 2.005 470 E HA -0.156 4.201 4.350 0.012 0.000 0.198 470 E C 1.974 178.585 176.600 0.018 0.000 1.010 470 E CA 1.204 57.617 56.400 0.021 0.000 0.825 470 E CB -0.759 28.959 29.700 0.029 0.000 0.769 470 E HN 0.173 nan 8.360 nan 0.000 0.456 471 L N 0.272 121.511 121.223 0.026 0.000 2.079 471 L HA -0.224 4.124 4.340 0.012 0.000 0.210 471 L C 2.678 179.551 176.870 0.005 0.000 1.081 471 L CA 1.016 55.870 54.840 0.024 0.000 0.752 471 L CB -0.437 41.649 42.059 0.044 0.000 0.896 471 L HN 0.239 nan 8.230 nan 0.000 0.433 472 M N -0.708 118.894 119.600 0.002 0.000 2.117 472 M HA -0.247 4.240 4.480 0.012 0.000 0.262 472 M C 2.427 178.702 176.300 -0.041 0.000 1.065 472 M CA 1.723 57.013 55.300 -0.017 0.000 1.114 472 M CB -0.282 32.313 32.600 -0.007 0.000 1.361 472 M HN 0.190 nan 8.290 nan 0.000 0.408 473 Q N 0.887 120.672 119.800 -0.024 0.000 2.084 473 Q HA -0.168 4.179 4.340 0.012 0.000 0.202 473 Q C 1.851 177.831 176.000 -0.032 0.000 0.978 473 Q CA 1.775 57.561 55.803 -0.029 0.000 0.844 473 Q CB -0.185 28.550 28.738 -0.005 0.000 0.898 473 Q HN 0.332 nan 8.270 nan 0.000 0.426 474 K N -1.135 119.254 120.400 -0.018 0.000 2.103 474 K HA -0.150 4.177 4.320 0.012 0.000 0.207 474 K C 1.777 178.356 176.600 -0.035 0.000 1.048 474 K CA 1.751 58.028 56.287 -0.017 0.000 0.930 474 K CB -0.153 32.345 32.500 -0.002 0.000 0.716 474 K HN 0.264 nan 8.250 nan 0.000 0.444 475 T N 1.171 115.696 114.554 -0.047 0.000 2.857 475 T HA -0.041 4.316 4.350 0.012 0.000 0.266 475 T C 1.784 176.423 174.700 -0.102 0.000 1.048 475 T CA 1.100 63.158 62.100 -0.071 0.000 1.139 475 T CB -0.064 68.760 68.868 -0.072 0.000 0.874 475 T HN 0.178 nan 8.240 nan 0.000 0.455 476 I N 1.226 121.720 120.570 -0.126 0.000 2.286 476 I HA -0.174 4.003 4.170 0.012 0.000 0.248 476 I C 2.202 178.253 176.117 -0.109 0.000 1.115 476 I CA 1.161 62.346 61.300 -0.191 0.000 1.392 476 I CB -0.212 37.628 38.000 -0.267 0.000 1.065 476 I HN 0.136 nan 8.210 nan 0.000 0.418 477 D N 0.472 120.833 120.400 -0.065 0.000 2.103 477 D HA -0.164 4.483 4.640 0.012 0.000 0.199 477 D C 2.068 178.350 176.300 -0.029 0.000 0.978 477 D CA 0.916 54.898 54.000 -0.032 0.000 0.829 477 D CB -0.206 40.583 40.800 -0.017 0.000 0.981 477 D HN 0.009 nan 8.370 nan 0.000 0.464 478 K N 1.246 121.624 120.400 -0.037 0.000 2.044 478 K HA -0.073 4.254 4.320 0.012 0.000 0.210 478 K C 2.187 178.765 176.600 -0.036 0.000 1.049 478 K CA 0.929 57.196 56.287 -0.033 0.000 0.927 478 K CB -0.814 31.661 32.500 -0.041 0.000 0.713 478 K HN 0.155 nan 8.250 nan 0.000 0.443 479 L N -0.240 120.950 121.223 -0.055 0.000 2.079 479 L HA -0.173 4.175 4.340 0.012 0.000 0.210 479 L C 2.398 179.252 176.870 -0.027 0.000 1.081 479 L CA 1.401 56.207 54.840 -0.056 0.000 0.752 479 L CB -0.577 41.432 42.059 -0.084 0.000 0.896 479 L HN 0.247 nan 8.230 nan 0.000 0.433 480 A N -0.451 122.361 122.820 -0.015 0.000 1.968 480 A HA -0.223 4.104 4.320 0.012 0.000 0.217 480 A C 2.275 179.869 177.584 0.016 0.000 1.169 480 A CA 1.508 53.551 52.037 0.010 0.000 0.638 480 A CB -0.430 18.583 19.000 0.022 0.000 0.812 480 A HN 0.490 nan 8.150 nan 0.000 0.446 481 E N 0.166 120.371 120.200 0.008 0.000 2.110 481 E HA -0.170 4.188 4.350 0.012 0.000 0.193 481 E C 1.822 178.438 176.600 0.026 0.000 0.988 481 E CA 1.131 57.540 56.400 0.015 0.000 0.804 481 E CB -0.212 29.491 29.700 0.006 0.000 0.745 481 E HN 0.639 nan 8.360 nan 0.000 0.458 482 L N 0.628 121.862 121.223 0.019 0.000 2.141 482 L HA -0.161 4.186 4.340 0.012 0.000 0.209 482 L C 2.771 179.689 176.870 0.080 0.000 1.094 482 L CA 0.712 55.575 54.840 0.040 0.000 0.763 482 L CB -0.403 41.661 42.059 0.009 0.000 0.908 482 L HN 0.172 nan 8.230 nan 0.000 0.437 483 Q N 0.239 120.069 119.800 0.051 0.000 2.124 483 Q HA -0.214 4.133 4.340 0.012 0.000 0.202 483 Q C 1.976 178.053 176.000 0.129 0.000 0.977 483 Q CA 1.484 57.331 55.803 0.074 0.000 0.850 483 Q CB -0.074 28.683 28.738 0.031 0.000 0.901 483 Q HN 0.617 nan 8.270 nan 0.000 0.429 484 E N 0.321 120.573 120.200 0.086 0.000 2.015 484 E HA -0.104 4.253 4.350 0.012 0.000 0.191 484 E C 2.123 178.771 176.600 0.081 0.000 0.991 484 E CA 0.491 56.934 56.400 0.071 0.000 0.802 484 E CB -0.064 29.662 29.700 0.043 0.000 0.759 484 E HN 0.197 nan 8.360 nan 0.000 0.447 485 R N 0.070 120.617 120.500 0.078 0.000 2.154 485 R HA -0.194 4.153 4.340 0.012 0.000 0.248 485 R C 2.273 178.631 176.300 0.097 0.000 1.155 485 R CA 1.195 57.337 56.100 0.070 0.000 0.979 485 R CB -0.498 29.842 30.300 0.067 0.000 0.869 485 R HN 0.207 nan 8.270 nan 0.000 0.452 486 F N 2.024 121.980 119.950 0.011 0.000 2.202 486 F HA -0.180 4.354 4.527 0.011 0.000 0.301 486 F C 1.803 177.607 175.800 0.007 0.000 1.082 486 F CA 1.536 59.547 58.000 0.017 0.000 1.313 486 F CB 0.024 39.030 39.000 0.011 0.000 1.024 486 F HN -0.168 nan 8.300 nan 0.000 0.495 487 K N -0.289 120.112 120.400 0.001 0.000 2.365 487 K HA -0.042 4.285 4.320 0.012 0.000 0.199 487 K C 1.025 177.557 176.600 -0.114 0.000 1.045 487 K CA 0.675 56.918 56.287 -0.074 0.000 0.962 487 K CB -0.025 32.481 32.500 0.011 0.000 0.759 487 K HN 0.145 nan 8.250 nan 0.000 0.469 488 R N 0.600 121.044 120.500 -0.094 0.000 2.831 488 R HA 0.187 4.534 4.340 0.012 0.000 0.337 488 R C -1.107 175.135 176.300 -0.097 0.000 1.200 488 R CA -0.188 55.867 56.100 -0.075 0.000 1.088 488 R CB 0.871 31.152 30.300 -0.032 0.000 1.397 488 R HN -0.124 nan 8.270 nan 0.000 0.581 489 V N 1.029 120.833 119.914 -0.182 0.000 2.435 489 V HA 0.351 4.479 4.120 0.012 0.000 0.290 489 V C 0.053 176.062 176.094 -0.142 0.000 1.030 489 V CA -0.783 61.422 62.300 -0.158 0.000 0.881 489 V CB 1.757 33.427 31.823 -0.256 0.000 0.983 489 V HN 0.228 nan 8.190 nan 0.000 0.445 490 R N 4.996 125.452 120.500 -0.074 0.000 2.294 490 R HA 0.516 4.863 4.340 0.012 0.000 0.319 490 R C -0.912 175.356 176.300 -0.053 0.000 0.984 490 R CA -0.527 55.533 56.100 -0.067 0.000 0.861 490 R CB 1.101 31.376 30.300 -0.042 0.000 1.104 490 R HN 0.649 nan 8.270 nan 0.000 0.451 491 I N 4.839 125.359 120.570 -0.083 0.000 2.282 491 I HA 0.032 4.210 4.170 0.012 0.000 0.290 491 I C 1.827 177.902 176.117 -0.070 0.000 1.090 491 I CA -0.185 61.061 61.300 -0.089 0.000 1.231 491 I CB 1.446 39.363 38.000 -0.139 0.000 1.434 491 I HN 0.699 nan 8.210 nan 0.000 0.487 492 T N 0.433 114.963 114.554 -0.041 0.000 2.821 492 T HA -0.128 4.230 4.350 0.012 0.000 0.267 492 T C 0.832 175.508 174.700 -0.040 0.000 1.046 492 T CA 0.460 62.541 62.100 -0.031 0.000 1.139 492 T CB -0.051 68.812 68.868 -0.008 0.000 0.871 492 T HN 0.517 nan 8.240 nan 0.000 0.454 493 D N 2.457 122.825 120.400 -0.053 0.000 2.351 493 D HA 0.092 4.740 4.640 0.012 0.000 0.251 493 D C 0.838 177.095 176.300 -0.072 0.000 1.137 493 D CA 0.369 54.334 54.000 -0.059 0.000 0.879 493 D CB 1.508 42.266 40.800 -0.072 0.000 1.181 493 D HN 0.429 nan 8.370 nan 0.000 0.448 494 T N -0.491 114.028 114.554 -0.057 0.000 3.132 494 T HA 0.182 4.539 4.350 0.012 0.000 0.274 494 T C 0.524 175.191 174.700 -0.054 0.000 1.011 494 T CA -0.542 61.523 62.100 -0.059 0.000 0.899 494 T CB -0.248 68.592 68.868 -0.046 0.000 1.089 494 T HN 0.216 nan 8.240 nan 0.000 0.543 495 S N 1.511 117.179 115.700 -0.053 0.000 2.572 495 S HA 0.271 4.749 4.470 0.012 0.000 0.267 495 S C 0.852 175.421 174.600 -0.052 0.000 1.361 495 S CA -0.658 57.517 58.200 -0.041 0.000 1.009 495 S CB 0.806 63.986 63.200 -0.033 0.000 0.888 495 S HN 0.380 nan 8.310 nan 0.000 0.553 496 S N -0.742 114.937 115.700 -0.035 0.000 2.578 496 S HA 0.195 4.672 4.470 0.012 0.000 0.228 496 S C -0.079 174.504 174.600 -0.029 0.000 1.022 496 S CA -0.316 57.859 58.200 -0.042 0.000 0.967 496 S CB 0.494 63.677 63.200 -0.029 0.000 0.914 496 S HN 0.450 nan 8.310 nan 0.000 0.515 497 V N 2.968 122.884 119.914 0.004 0.000 2.293 497 V HA 0.420 4.547 4.120 0.012 0.000 0.275 497 V C -0.490 175.687 176.094 0.139 0.000 1.021 497 V CA -0.696 61.638 62.300 0.057 0.000 0.815 497 V CB -0.047 31.810 31.823 0.057 0.000 1.025 497 V HN 0.547 nan 8.190 nan 0.000 0.448 498 F N 4.420 124.331 119.950 -0.064 0.000 2.773 498 F HA -0.210 4.325 4.527 0.014 0.000 0.251 498 F C 0.671 176.404 175.800 -0.112 0.000 1.020 498 F CA 0.469 58.424 58.000 -0.075 0.000 0.924 498 F CB -0.292 38.682 39.000 -0.042 0.000 0.919 498 F HN 0.668 nan 8.300 nan 0.000 0.846 499 N N 1.294 119.898 118.700 -0.158 0.000 2.439 499 N HA 0.161 4.908 4.740 0.012 0.000 0.243 499 N C 1.134 176.441 175.510 -0.338 0.000 1.088 499 N CA 0.533 53.471 53.050 -0.186 0.000 0.940 499 N CB 0.913 39.293 38.487 -0.179 0.000 1.180 499 N HN 0.395 nan 8.380 nan 0.000 0.505 500 T N -0.310 114.020 114.554 -0.374 0.000 3.054 500 T HA -0.061 4.297 4.350 0.012 0.000 0.259 500 T C 1.313 175.441 174.700 -0.953 0.000 1.092 500 T CA 0.357 62.029 62.100 -0.713 0.000 1.121 500 T CB -0.057 68.322 68.868 -0.815 0.000 0.912 500 T HN 0.318 nan 8.240 nan 0.000 0.489 501 D N 1.446 121.479 120.400 -0.610 0.000 2.133 501 D HA -0.125 4.522 4.640 0.012 0.000 0.195 501 D C 1.896 177.876 176.300 -0.533 0.000 0.997 501 D CA 1.129 54.825 54.000 -0.505 0.000 0.840 501 D CB -0.440 40.205 40.800 -0.259 0.000 0.947 501 D HN 0.407 nan 8.370 nan 0.000 0.452 502 L N 0.189 121.156 121.223 -0.426 0.000 2.044 502 L HA 0.007 4.355 4.340 0.012 0.000 0.205 502 L C 2.398 179.010 176.870 -0.430 0.000 1.075 502 L CA 1.246 55.861 54.840 -0.375 0.000 0.747 502 L CB -0.572 41.307 42.059 -0.299 0.000 0.903 502 L HN 0.073 nan 8.230 nan 0.000 0.435 503 L N -1.570 119.349 121.223 -0.506 0.000 2.046 503 L HA -0.246 4.101 4.340 0.012 0.000 0.208 503 L C 2.503 179.196 176.870 -0.294 0.000 1.077 503 L CA 1.545 56.028 54.840 -0.595 0.000 0.747 503 L CB -0.870 40.795 42.059 -0.657 0.000 0.896 503 L HN 0.313 nan 8.230 nan 0.000 0.432 504 Y N -0.372 119.623 120.300 -0.509 0.000 2.333 504 Y HA -0.215 4.342 4.550 0.012 0.000 0.290 504 Y C 2.732 178.208 175.900 -0.707 0.000 1.144 504 Y CA 0.714 58.455 58.100 -0.599 0.000 1.228 504 Y CB -0.362 37.545 38.460 -0.921 0.000 0.985 504 Y HN 0.216 nan 8.280 nan 0.000 0.542 505 T N 0.467 114.708 114.554 -0.522 0.000 2.942 505 T HA -0.080 4.278 4.350 0.012 0.000 0.265 505 T C 1.795 176.493 174.700 -0.002 0.000 1.062 505 T CA 0.881 62.801 62.100 -0.300 0.000 1.139 505 T CB -0.217 68.457 68.868 -0.324 0.000 0.883 505 T HN 0.262 nan 8.240 nan 0.000 0.468 506 I N 1.188 121.696 120.570 -0.103 0.000 2.179 506 I HA -0.159 4.018 4.170 0.012 0.000 0.242 506 I C 2.557 178.674 176.117 -0.000 0.000 1.088 506 I CA 1.426 62.696 61.300 -0.051 0.000 1.357 506 I CB -0.428 37.501 38.000 -0.118 0.000 1.051 506 I HN 0.286 nan 8.210 nan 0.000 0.409 507 E N 0.752 121.019 120.200 0.112 0.000 2.118 507 E HA -0.271 4.086 4.350 0.012 0.000 0.195 507 E C 2.107 178.762 176.600 0.092 0.000 0.992 507 E CA 1.260 57.783 56.400 0.205 0.000 0.804 507 E CB -0.224 29.593 29.700 0.195 0.000 0.741 507 E HN 0.312 nan 8.360 nan 0.000 0.458 508 L N 0.694 121.965 121.223 0.081 0.000 2.046 508 L HA -0.066 4.281 4.340 0.012 0.000 0.208 508 L C 2.163 178.898 176.870 -0.225 0.000 1.077 508 L CA 2.228 57.116 54.840 0.079 0.000 0.747 508 L CB -0.854 41.415 42.059 0.349 0.000 0.896 508 L HN 0.103 nan 8.230 nan 0.000 0.432 509 G N -1.631 106.912 108.800 -0.428 0.000 2.440 509 G HA2 -0.287 3.681 3.960 0.012 0.000 0.218 509 G HA3 -0.287 3.681 3.960 0.012 0.000 0.218 509 G C 1.472 176.088 174.900 -0.473 0.000 1.154 509 G CA 0.949 45.519 45.100 -0.883 0.000 0.767 509 G HN 0.552 nan 8.290 nan 0.000 0.552 510 H N 0.729 119.708 119.070 -0.151 0.000 2.357 510 H HA -0.049 4.513 4.556 0.011 0.000 0.301 510 H C 2.888 178.148 175.328 -0.113 0.000 1.082 510 H CA 1.147 57.138 56.048 -0.096 0.000 1.342 510 H CB -0.822 28.919 29.762 -0.034 0.000 1.389 510 H HN 0.351 nan 8.280 nan 0.000 0.511 511 G N 1.173 109.974 108.800 0.002 0.000 2.491 511 G HA2 -0.227 3.741 3.960 0.012 0.000 0.218 511 G HA3 -0.227 3.741 3.960 0.012 0.000 0.218 511 G C 1.967 176.811 174.900 -0.094 0.000 1.180 511 G CA 0.864 45.937 45.100 -0.044 0.000 0.774 511 G HN 0.280 nan 8.290 nan 0.000 0.562 512 L N 0.465 121.595 121.223 -0.156 0.000 2.012 512 L HA -0.154 4.193 4.340 0.012 0.000 0.210 512 L C 2.838 179.642 176.870 -0.110 0.000 1.073 512 L CA 1.355 56.099 54.840 -0.160 0.000 0.748 512 L CB -0.587 41.324 42.059 -0.246 0.000 0.891 512 L HN 0.149 nan 8.230 nan 0.000 0.431 513 N N -0.290 118.348 118.700 -0.102 0.000 2.104 513 N HA -0.163 4.584 4.740 0.012 0.000 0.190 513 N C 1.807 177.297 175.510 -0.033 0.000 1.024 513 N CA 1.299 54.320 53.050 -0.049 0.000 0.853 513 N CB -0.679 37.797 38.487 -0.018 0.000 1.008 513 N HN 0.115 nan 8.380 nan 0.000 0.424 514 V N 1.191 121.081 119.914 -0.040 0.000 2.283 514 V HA -0.128 3.999 4.120 0.012 0.000 0.243 514 V C 2.373 178.433 176.094 -0.057 0.000 1.039 514 V CA 1.686 63.959 62.300 -0.046 0.000 1.016 514 V CB -1.065 30.728 31.823 -0.049 0.000 0.650 514 V HN 0.315 nan 8.190 nan 0.000 0.449 515 A N -0.438 122.333 122.820 -0.081 0.000 1.948 515 A HA -0.296 4.031 4.320 0.012 0.000 0.220 515 A C 2.155 179.689 177.584 -0.083 0.000 1.177 515 A CA 2.171 54.142 52.037 -0.110 0.000 0.636 515 A CB -0.533 18.376 19.000 -0.151 0.000 0.815 515 A HN 0.648 nan 8.150 nan 0.000 0.449 516 E N -0.892 119.279 120.200 -0.048 0.000 2.051 516 E HA -0.204 4.154 4.350 0.012 0.000 0.192 516 E C 2.126 178.774 176.600 0.080 0.000 0.991 516 E CA 1.363 57.769 56.400 0.011 0.000 0.799 516 E CB -0.395 29.345 29.700 0.067 0.000 0.748 516 E HN 0.702 nan 8.360 nan 0.000 0.449 517 C N 0.643 119.969 119.300 0.044 0.000 2.401 517 C HA -0.184 4.284 4.460 0.012 0.000 0.276 517 C C 2.712 177.709 174.990 0.010 0.000 1.233 517 C CA 0.806 59.844 59.018 0.033 0.000 1.753 517 C CB -0.807 26.919 27.740 -0.023 0.000 2.029 517 C HN 0.452 nan 8.230 nan 0.000 0.478 518 M N 1.049 120.632 119.600 -0.028 0.000 2.059 518 M HA -0.125 4.363 4.480 0.012 0.000 0.259 518 M C 2.629 178.892 176.300 -0.061 0.000 1.072 518 M CA 2.188 57.460 55.300 -0.047 0.000 1.117 518 M CB -0.778 31.797 32.600 -0.041 0.000 1.320 518 M HN 0.404 nan 8.290 nan 0.000 0.408 519 A N -0.310 122.460 122.820 -0.083 0.000 1.908 519 A HA -0.200 4.128 4.320 0.012 0.000 0.218 519 A C 1.931 179.434 177.584 -0.135 0.000 1.181 519 A CA 1.616 53.576 52.037 -0.128 0.000 0.627 519 A CB -1.125 17.761 19.000 -0.191 0.000 0.818 519 A HN 0.480 nan 8.150 nan 0.000 0.445 520 H N -0.313 118.730 119.070 -0.044 0.000 2.326 520 H HA -0.053 4.510 4.556 0.013 0.000 0.301 520 H C 2.639 177.942 175.328 -0.041 0.000 1.081 520 H CA 1.618 57.648 56.048 -0.031 0.000 1.334 520 H CB -0.381 29.367 29.762 -0.024 0.000 1.385 520 H HN 0.476 nan 8.280 nan 0.000 0.504 521 S N 0.446 116.179 115.700 0.055 0.000 2.365 521 S HA -0.190 4.287 4.470 0.012 0.000 0.225 521 S C 2.441 176.962 174.600 -0.131 0.000 1.039 521 S CA 1.186 59.367 58.200 -0.032 0.000 1.033 521 S CB -0.336 62.813 63.200 -0.085 0.000 0.887 521 S HN 0.563 nan 8.310 nan 0.000 0.447 522 A N 0.926 123.626 122.820 -0.200 0.000 1.902 522 A HA -0.101 4.226 4.320 0.012 0.000 0.217 522 A C 2.115 179.653 177.584 -0.076 0.000 1.181 522 A CA 1.906 53.757 52.037 -0.310 0.000 0.623 522 A CB -0.604 18.302 19.000 -0.157 0.000 0.818 522 A HN 0.486 nan 8.150 nan 0.000 0.443 523 M N 0.163 119.757 119.600 -0.010 0.000 2.159 523 M HA -0.027 4.461 4.480 0.012 0.000 0.263 523 M C 1.974 178.309 176.300 0.059 0.000 1.063 523 M CA 1.840 57.161 55.300 0.035 0.000 1.110 523 M CB -0.365 32.253 32.600 0.031 0.000 1.374 523 M HN 0.342 nan 8.290 nan 0.000 0.411 524 A N -0.612 122.258 122.820 0.083 0.000 2.119 524 A HA 0.015 4.342 4.320 0.012 0.000 0.216 524 A C 1.588 179.231 177.584 0.098 0.000 1.152 524 A CA 0.322 52.448 52.037 0.149 0.000 0.708 524 A CB -0.558 18.588 19.000 0.243 0.000 0.805 524 A HN 0.492 nan 8.150 nan 0.000 0.460 525 R N 1.225 121.695 120.500 -0.051 0.000 2.608 525 R HA 0.170 4.518 4.340 0.012 0.000 0.277 525 R C -0.789 175.284 176.300 -0.378 0.000 1.341 525 R CA -0.114 55.798 56.100 -0.313 0.000 1.199 525 R CB -0.296 29.795 30.300 -0.348 0.000 1.156 525 R HN 0.180 nan 8.270 nan 0.000 0.558 526 K N 4.253 124.261 120.400 -0.653 0.000 2.278 526 K HA 0.002 4.330 4.320 0.012 0.000 0.237 526 K C -0.499 175.831 176.600 -0.450 0.000 1.229 526 K CA 0.034 56.110 56.287 -0.352 0.000 1.155 526 K CB 0.081 32.534 32.500 -0.078 0.000 1.590 526 K HN 0.658 nan 8.250 nan 0.000 0.290 527 E N -1.574 118.422 120.200 -0.340 0.000 2.442 527 E HA 0.357 4.715 4.350 0.012 0.000 0.278 527 E C -1.298 175.237 176.600 -0.109 0.000 1.082 527 E CA -1.073 55.220 56.400 -0.178 0.000 0.861 527 E CB 1.080 30.677 29.700 -0.173 0.000 1.462 527 E HN -0.067 nan 8.360 nan 0.000 0.458 528 S N -0.176 115.499 115.700 -0.042 0.000 2.519 528 S HA 0.649 5.127 4.470 0.012 0.000 0.309 528 S C -1.110 173.541 174.600 0.085 0.000 1.100 528 S CA -0.718 57.453 58.200 -0.049 0.000 1.059 528 S CB 1.100 64.264 63.200 -0.060 0.000 1.008 528 S HN 0.455 nan 8.310 nan 0.000 0.478 529 R N 1.806 122.422 120.500 0.194 0.000 2.515 529 R HA 0.514 4.861 4.340 0.012 0.000 0.278 529 R C 0.597 177.105 176.300 0.346 0.000 1.107 529 R CA 0.395 56.654 56.100 0.265 0.000 0.945 529 R CB 0.905 31.406 30.300 0.336 0.000 1.219 529 R HN 0.923 nan 8.270 nan 0.000 0.434 530 G N 2.487 111.407 108.800 0.201 0.000 2.629 530 G HA2 -0.465 3.502 3.960 0.012 0.000 0.313 530 G HA3 -0.465 3.502 3.960 0.012 0.000 0.313 530 G C 0.764 175.781 174.900 0.194 0.000 1.217 530 G CA 0.669 45.876 45.100 0.177 0.000 0.994 530 G HN 0.864 nan 8.290 nan 0.000 0.549 531 A N -0.477 122.528 122.820 0.308 0.000 2.119 531 A HA 0.292 4.620 4.320 0.012 0.000 0.217 531 A C 1.260 178.948 177.584 0.173 0.000 1.153 531 A CA 2.021 54.193 52.037 0.225 0.000 0.692 531 A CB -0.283 18.898 19.000 0.301 0.000 0.799 531 A HN 1.502 nan 8.150 nan 0.000 0.458 532 H N 1.082 120.229 119.070 0.129 0.000 2.787 532 H HA 0.444 5.007 4.556 0.013 0.000 0.275 532 H C -0.744 174.560 175.328 -0.040 0.000 1.183 532 H CA -0.363 55.647 56.048 -0.063 0.000 1.290 532 H CB 0.020 29.597 29.762 -0.308 0.000 1.438 532 H HN 0.120 nan 8.280 nan 0.000 0.487 533 Q N 4.748 124.330 119.800 -0.364 0.000 2.333 533 Q HA 0.396 4.744 4.340 0.012 0.000 0.268 533 Q C -0.349 175.470 176.000 -0.302 0.000 1.007 533 Q CA -0.543 55.075 55.803 -0.309 0.000 0.810 533 Q CB 1.946 30.508 28.738 -0.293 0.000 1.264 533 Q HN 0.735 nan 8.270 nan 0.000 0.452 534 R N 2.055 122.397 120.500 -0.264 0.000 2.637 534 R HA 0.487 4.835 4.340 0.012 0.000 0.291 534 R C 0.979 177.232 176.300 -0.079 0.000 0.963 534 R CA -0.592 55.398 56.100 -0.183 0.000 0.901 534 R CB 1.565 31.729 30.300 -0.226 0.000 1.160 534 R HN 0.468 nan 8.270 nan 0.000 0.457 535 L N 1.092 122.270 121.223 -0.074 0.000 2.446 535 L HA 0.023 4.371 4.340 0.012 0.000 0.219 535 L C 0.303 177.143 176.870 -0.050 0.000 1.116 535 L CA 0.288 55.077 54.840 -0.085 0.000 0.844 535 L CB -0.333 41.653 42.059 -0.122 0.000 0.970 535 L HN 0.681 nan 8.230 nan 0.000 0.457 536 D N 0.771 121.147 120.400 -0.039 0.000 2.362 536 D HA -0.066 4.582 4.640 0.012 0.000 0.242 536 D C 0.259 176.551 176.300 -0.014 0.000 1.132 536 D CA -0.369 53.620 54.000 -0.020 0.000 0.907 536 D CB 0.717 41.510 40.800 -0.012 0.000 1.195 536 D HN 0.006 nan 8.370 nan 0.000 0.429 537 E N -0.075 120.123 120.200 -0.004 0.000 2.558 537 E HA 0.130 4.488 4.350 0.012 0.000 0.255 537 E C 0.823 177.427 176.600 0.006 0.000 0.968 537 E CA 0.757 57.158 56.400 0.002 0.000 0.939 537 E CB -0.221 29.483 29.700 0.006 0.000 0.921 537 E HN 0.750 nan 8.360 nan 0.000 0.477 538 G N 3.329 112.134 108.800 0.008 0.000 2.143 538 G HA2 -0.274 3.693 3.960 0.012 0.000 0.248 538 G HA3 -0.274 3.693 3.960 0.012 0.000 0.248 538 G C 0.452 175.360 174.900 0.012 0.000 0.991 538 G CA 0.103 45.213 45.100 0.016 0.000 0.689 538 G HN 0.615 nan 8.290 nan 0.000 0.522 539 C N 0.192 119.488 119.300 -0.007 0.000 3.657 539 C HA 0.385 4.853 4.460 0.012 0.000 0.291 539 C C 2.201 177.164 174.990 -0.045 0.000 1.572 539 C CA 0.839 59.837 59.018 -0.033 0.000 1.818 539 C CB -0.374 27.335 27.740 -0.051 0.000 2.903 539 C HN 0.840 nan 8.230 nan 0.000 0.632 540 T N -1.762 112.780 114.554 -0.021 0.000 3.129 540 T HA 0.154 4.511 4.350 0.012 0.000 0.251 540 T C 0.298 175.000 174.700 0.005 0.000 1.117 540 T CA 0.589 62.681 62.100 -0.013 0.000 1.034 540 T CB 0.156 69.023 68.868 -0.001 0.000 0.968 540 T HN 0.577 nan 8.240 nan 0.000 0.526 541 E N 0.874 121.080 120.200 0.009 0.000 2.410 541 E HA 0.469 4.826 4.350 0.012 0.000 0.269 541 E C -0.886 175.736 176.600 0.037 0.000 0.937 541 E CA -1.172 55.243 56.400 0.026 0.000 0.793 541 E CB 1.974 31.690 29.700 0.027 0.000 1.314 541 E HN 0.207 nan 8.360 nan 0.000 0.447 542 R N 0.606 121.137 120.500 0.051 0.000 2.582 542 R HA 0.131 4.478 4.340 0.012 0.000 0.271 542 R C -0.767 175.580 176.300 0.078 0.000 1.078 542 R CA 0.055 56.200 56.100 0.075 0.000 1.127 542 R CB 0.621 30.967 30.300 0.076 0.000 1.038 542 R HN 0.395 nan 8.270 nan 0.000 0.500 543 D N 1.836 122.311 120.400 0.125 0.000 2.402 543 D HA 0.160 4.808 4.640 0.012 0.000 0.252 543 D C -0.997 175.381 176.300 0.130 0.000 1.294 543 D CA -0.401 53.687 54.000 0.146 0.000 0.948 543 D CB 1.445 42.417 40.800 0.287 0.000 1.202 543 D HN 0.555 nan 8.370 nan 0.000 0.561 544 D N 1.831 122.258 120.400 0.046 0.000 2.389 544 D HA 0.034 4.681 4.640 0.012 0.000 0.206 544 D C 2.162 178.448 176.300 -0.024 0.000 1.055 544 D CA 0.231 54.235 54.000 0.008 0.000 0.856 544 D CB 0.971 41.745 40.800 -0.044 0.000 0.957 544 D HN 0.206 nan 8.370 nan 0.000 0.509 545 V N 0.956 120.857 119.914 -0.022 0.000 2.358 545 V HA -0.125 4.002 4.120 0.012 0.000 0.246 545 V C 1.762 177.797 176.094 -0.098 0.000 1.047 545 V CA 1.377 63.649 62.300 -0.048 0.000 1.035 545 V CB -0.165 31.639 31.823 -0.032 0.000 0.658 545 V HN 0.258 nan 8.190 nan 0.000 0.452 546 N N -1.724 116.907 118.700 -0.115 0.000 2.397 546 N HA 0.164 4.911 4.740 0.012 0.000 0.190 546 N C 0.972 176.105 175.510 -0.629 0.000 1.099 546 N CA 0.477 53.319 53.050 -0.347 0.000 0.876 546 N CB 0.680 38.967 38.487 -0.334 0.000 1.143 546 N HN 0.446 nan 8.380 nan 0.000 0.468 547 F N 0.639 120.554 119.950 -0.057 0.000 2.698 547 F HA 0.306 4.840 4.527 0.012 0.000 0.304 547 F C 0.489 176.278 175.800 -0.018 0.000 1.108 547 F CA -0.391 57.577 58.000 -0.053 0.000 1.263 547 F CB 0.533 39.532 39.000 -0.003 0.000 1.013 547 F HN -0.141 nan 8.300 nan 0.000 0.532 548 L N 3.730 124.981 121.223 0.046 0.000 2.391 548 L HA 0.241 4.588 4.340 0.012 0.000 0.249 548 L C -0.060 176.795 176.870 -0.026 0.000 1.308 548 L CA 0.341 55.198 54.840 0.029 0.000 1.209 548 L CB -1.417 40.644 42.059 0.003 0.000 1.401 548 L HN 0.103 nan 8.230 nan 0.000 0.416 549 K N 0.348 120.752 120.400 0.006 0.000 2.597 549 K HA 0.391 4.718 4.320 0.012 0.000 0.282 549 K C -1.336 175.341 176.600 0.127 0.000 0.975 549 K CA -0.923 55.360 56.287 -0.007 0.000 0.867 549 K CB 0.955 33.481 32.500 0.043 0.000 1.465 549 K HN 0.002 nan 8.250 nan 0.000 0.417 550 H N 1.131 120.350 119.070 0.249 0.000 2.548 550 H HA 0.165 4.729 4.556 0.013 0.000 0.331 550 H C -0.248 175.289 175.328 0.348 0.000 1.093 550 H CA -0.109 56.092 56.048 0.256 0.000 1.367 550 H CB 1.304 31.148 29.762 0.136 0.000 1.455 550 H HN 0.503 nan 8.280 nan 0.000 0.519 551 T N 4.907 119.741 114.554 0.467 0.000 2.853 551 T HA 0.195 4.553 4.350 0.012 0.000 0.298 551 T C 0.872 175.577 174.700 0.007 0.000 0.978 551 T CA -0.262 61.934 62.100 0.160 0.000 1.152 551 T CB 0.114 69.075 68.868 0.155 0.000 0.914 551 T HN 0.237 nan 8.240 nan 0.000 0.539 552 L N 2.711 123.848 121.223 -0.144 0.000 2.313 552 L HA 0.669 5.016 4.340 0.012 0.000 0.283 552 L C 0.138 176.895 176.870 -0.189 0.000 1.013 552 L CA -1.089 53.652 54.840 -0.165 0.000 0.816 552 L CB 1.454 43.464 42.059 -0.081 0.000 1.236 552 L HN 0.673 nan 8.230 nan 0.000 0.419 553 A N 3.962 126.622 122.820 -0.265 0.000 2.304 553 A HA 0.792 5.120 4.320 0.012 0.000 0.314 553 A C -1.092 176.327 177.584 -0.274 0.000 1.187 553 A CA -0.297 51.641 52.037 -0.165 0.000 0.810 553 A CB 0.442 19.378 19.000 -0.107 0.000 1.183 553 A HN 0.496 nan 8.150 nan 0.000 0.487 554 F N 0.759 120.656 119.950 -0.087 0.000 2.470 554 F HA 0.712 5.245 4.527 0.010 0.000 0.329 554 F C 0.697 176.457 175.800 -0.068 0.000 1.072 554 F CA -0.448 57.510 58.000 -0.070 0.000 0.989 554 F CB 1.956 40.915 39.000 -0.069 0.000 1.193 554 F HN 0.626 nan 8.300 nan 0.000 0.481 555 R N 1.730 122.308 120.500 0.131 0.000 2.439 555 R HA 0.361 4.708 4.340 0.012 0.000 0.310 555 R C -1.432 174.900 176.300 0.053 0.000 0.955 555 R CA -0.592 55.544 56.100 0.059 0.000 0.853 555 R CB 0.784 31.098 30.300 0.022 0.000 1.171 555 R HN 0.554 nan 8.270 nan 0.000 0.449 556 D N 2.490 122.905 120.400 0.024 0.000 2.423 556 D HA 0.199 4.847 4.640 0.012 0.000 0.255 556 D C 0.982 177.279 176.300 -0.005 0.000 1.174 556 D CA 0.133 54.136 54.000 0.005 0.000 1.008 556 D CB 1.351 42.141 40.800 -0.016 0.000 1.101 556 D HN 0.657 nan 8.370 nan 0.000 0.516 557 A N 0.715 123.527 122.820 -0.013 0.000 2.019 557 A HA -0.181 4.146 4.320 0.012 0.000 0.219 557 A C 1.326 178.903 177.584 -0.012 0.000 1.164 557 A CA 1.641 53.668 52.037 -0.018 0.000 0.644 557 A CB -0.427 18.560 19.000 -0.022 0.000 0.805 557 A HN 0.611 nan 8.150 nan 0.000 0.449 558 D N -1.554 118.839 120.400 -0.012 0.000 2.378 558 D HA 0.185 4.832 4.640 0.012 0.000 0.227 558 D C 1.167 177.465 176.300 -0.003 0.000 1.012 558 D CA 0.960 54.955 54.000 -0.008 0.000 0.905 558 D CB -0.784 40.009 40.800 -0.011 0.000 0.895 558 D HN 0.874 nan 8.370 nan 0.000 0.532 559 G N 0.176 108.975 108.800 -0.003 0.000 2.132 559 G HA2 -0.226 3.741 3.960 0.012 0.000 0.234 559 G HA3 -0.226 3.741 3.960 0.012 0.000 0.234 559 G C 0.256 175.157 174.900 0.002 0.000 0.989 559 G CA 0.323 45.424 45.100 0.003 0.000 0.676 559 G HN 0.649 nan 8.290 nan 0.000 0.522 560 T N -1.026 113.522 114.554 -0.010 0.000 2.907 560 T HA 0.630 4.987 4.350 0.012 0.000 0.284 560 T C -0.003 174.667 174.700 -0.049 0.000 1.004 560 T CA -0.171 61.911 62.100 -0.031 0.000 1.063 560 T CB 2.278 71.120 68.868 -0.043 0.000 0.992 560 T HN 0.165 nan 8.240 nan 0.000 0.483 561 T N 3.468 117.952 114.554 -0.117 0.000 2.781 561 T HA 0.374 4.731 4.350 0.012 0.000 0.305 561 T C 0.206 174.768 174.700 -0.231 0.000 1.001 561 T CA -0.570 61.435 62.100 -0.157 0.000 0.950 561 T CB 0.088 68.861 68.868 -0.158 0.000 0.955 561 T HN 0.418 nan 8.240 nan 0.000 0.471 562 R N 2.684 123.136 120.500 -0.081 0.000 2.540 562 R HA 0.679 5.026 4.340 0.012 0.000 0.287 562 R C -0.612 175.697 176.300 0.015 0.000 0.980 562 R CA -0.827 55.239 56.100 -0.058 0.000 0.966 562 R CB 1.499 31.771 30.300 -0.047 0.000 1.106 562 R HN 0.451 nan 8.270 nan 0.000 0.480 563 L N 1.789 122.993 121.223 -0.032 0.000 2.346 563 L HA 0.503 4.850 4.340 0.012 0.000 0.274 563 L C 0.003 176.806 176.870 -0.112 0.000 1.007 563 L CA -0.643 54.149 54.840 -0.081 0.000 0.818 563 L CB 1.844 43.797 42.059 -0.176 0.000 1.284 563 L HN 0.560 nan 8.230 nan 0.000 0.424 564 E N 1.150 121.277 120.200 -0.123 0.000 2.393 564 E HA 0.547 4.905 4.350 0.012 0.000 0.265 564 E C -1.763 174.603 176.600 -0.390 0.000 0.941 564 E CA -0.853 55.475 56.400 -0.121 0.000 0.801 564 E CB 2.469 32.220 29.700 0.084 0.000 1.313 564 E HN 0.318 nan 8.360 nan 0.000 0.435 565 Y N 0.369 120.742 120.300 0.121 0.000 2.425 565 Y HA 0.326 4.884 4.550 0.014 0.000 0.344 565 Y C -0.023 175.943 175.900 0.110 0.000 0.969 565 Y CA -0.673 57.497 58.100 0.117 0.000 1.052 565 Y CB 2.290 40.797 38.460 0.078 0.000 1.215 565 Y HN 0.481 nan 8.280 nan 0.000 0.451 566 S N 1.079 116.968 115.700 0.314 0.000 2.568 566 S HA 0.506 4.983 4.470 0.012 0.000 0.302 566 S C -1.146 173.570 174.600 0.193 0.000 1.082 566 S CA -1.085 57.258 58.200 0.237 0.000 1.009 566 S CB 1.818 65.157 63.200 0.232 0.000 1.069 566 S HN 0.520 nan 8.310 nan 0.000 0.500 567 D N 0.938 121.416 120.400 0.130 0.000 2.313 567 D HA 0.394 5.041 4.640 0.012 0.000 0.247 567 D C -0.460 175.857 176.300 0.028 0.000 1.094 567 D CA -0.141 53.892 54.000 0.054 0.000 0.925 567 D CB 1.649 42.479 40.800 0.051 0.000 1.188 567 D HN 0.396 nan 8.370 nan 0.000 0.430 568 V N 2.427 122.304 119.914 -0.062 0.000 2.370 568 V HA 0.113 4.241 4.120 0.012 0.000 0.279 568 V C 0.340 176.451 176.094 0.028 0.000 1.029 568 V CA -0.828 61.421 62.300 -0.084 0.000 0.870 568 V CB 1.427 33.124 31.823 -0.210 0.000 0.984 568 V HN 0.360 nan 8.190 nan 0.000 0.451 569 K N 6.036 126.482 120.400 0.076 0.000 2.383 569 K HA 0.288 4.616 4.320 0.012 0.000 0.286 569 K C -0.704 175.958 176.600 0.103 0.000 1.051 569 K CA 0.143 56.482 56.287 0.087 0.000 0.974 569 K CB 0.161 32.718 32.500 0.095 0.000 0.968 569 K HN 0.486 nan 8.250 nan 0.000 0.475 570 I N 5.334 125.969 120.570 0.109 0.000 2.404 570 I HA 0.178 4.355 4.170 0.012 0.000 0.293 570 I C 1.035 177.237 176.117 0.141 0.000 0.992 570 I CA -0.479 60.907 61.300 0.144 0.000 1.149 570 I CB 1.137 39.222 38.000 0.141 0.000 1.315 570 I HN 0.972 nan 8.210 nan 0.000 0.446 571 T N 0.593 115.257 114.554 0.182 0.000 3.480 571 T HA 0.003 4.360 4.350 0.012 0.000 0.229 571 T C 1.215 176.001 174.700 0.142 0.000 0.944 571 T CA 0.987 63.174 62.100 0.145 0.000 1.388 571 T CB -0.165 68.785 68.868 0.136 0.000 1.180 571 T HN 0.572 nan 8.240 nan 0.000 0.414 572 T N -1.023 113.638 114.554 0.179 0.000 3.085 572 T HA 0.465 4.822 4.350 0.012 0.000 0.264 572 T C 0.017 174.865 174.700 0.247 0.000 1.019 572 T CA -0.435 61.757 62.100 0.154 0.000 0.910 572 T CB -0.015 68.886 68.868 0.056 0.000 1.059 572 T HN 0.224 nan 8.240 nan 0.000 0.542 573 L N 3.357 124.778 121.223 0.330 0.000 2.529 573 L HA 0.528 4.875 4.340 0.012 0.000 0.246 573 L C -2.746 174.392 176.870 0.446 0.000 1.394 573 L CA -2.192 52.885 54.840 0.393 0.000 0.906 573 L CB 1.439 43.771 42.059 0.456 0.000 1.170 573 L HN -0.085 nan 8.230 nan 0.000 0.501 574 P HA 0.424 nan 4.420 nan 0.000 0.274 574 P C -2.780 174.530 177.300 0.016 0.000 1.246 574 P CA -1.077 62.130 63.100 0.178 0.000 0.795 574 P CB 0.227 31.976 31.700 0.083 0.000 1.006 575 P HA 0.586 nan 4.420 nan 0.000 0.289 575 P C -2.124 174.959 177.300 -0.363 0.000 1.300 575 P CA -0.918 61.727 63.100 -0.759 0.000 0.828 575 P CB 2.167 33.174 31.700 -1.155 0.000 1.235 576 A N 0.000 122.615 122.820 -0.342 0.000 2.254 576 A HA 0.000 4.327 4.320 0.012 0.000 0.244 576 A CA 0.000 51.928 52.037 -0.181 0.000 0.836 576 A CB 0.000 18.940 19.000 -0.100 0.000 0.831 576 A HN 0.000 nan 8.150 nan 0.000 0.486