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 2j56_1_H DATA FIRST_RESID 12 DATA SEQUENCE ETQGQAAARA AAADLAAGQD DEPRILEAPA PDARRVYVND PAHFAAVTQQ DATA SEQUENCE FVIDGEAGRV IGMIDGGFLP NPVVADDGSF IAHASTVFSR IARGERTDYV DATA SEQUENCE EVFDPVTLLP TADIELPDAP RFLVGTYPWM TSLTPDGKTL LFYQFSPAPA DATA SEQUENCE VGVVDLEGKA FKRMLDVPDc YHIFPTAPDT FFMHcRDGSL AKVAFGTEGT DATA SEQUENCE PEITHTEVFH PEDEFLINHP AYSQKAGRLV WPTYTGKIHQ IDLSSGDAKF DATA SEQUENCE LPAVEALTEA ERADGWRPGG WQQVAYHRAL DRIYLLVDQR DEWRHKTASR DATA SEQUENCE FVVVLDAKTG ERLAKFEMGH EIDSINVSQD EKPLLYALST GDKTLYIHDA DATA SEQUENCE ESGEELRSVN QLGHGPQVIT TADMG 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 12 E HA 0.000 nan 4.350 nan 0.000 0.291 12 E C 0.000 176.589 176.600 -0.019 0.000 1.382 12 E CA 0.000 56.388 56.400 -0.021 0.000 0.976 12 E CB 0.000 29.688 29.700 -0.020 0.000 0.812 13 T N 0.200 114.743 114.554 -0.019 0.000 2.833 13 T HA -0.126 4.224 4.350 -0.000 0.000 0.269 13 T C 1.479 176.169 174.700 -0.017 0.000 1.054 13 T CA 1.928 64.019 62.100 -0.016 0.000 1.135 13 T CB 0.278 69.137 68.868 -0.016 0.000 0.869 13 T HN 0.308 nan 8.240 nan 0.000 0.466 14 Q N -0.143 119.645 119.800 -0.020 0.000 2.030 14 Q HA -0.057 4.283 4.340 -0.000 0.000 0.204 14 Q C 2.622 178.612 176.000 -0.017 0.000 0.986 14 Q CA 1.610 57.401 55.803 -0.019 0.000 0.843 14 Q CB -0.565 28.159 28.738 -0.023 0.000 0.904 14 Q HN 0.575 nan 8.270 nan 0.000 0.420 15 G N 0.467 109.256 108.800 -0.018 0.000 2.442 15 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.219 15 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.219 15 G C 1.221 176.113 174.900 -0.013 0.000 1.141 15 G CA 0.778 45.868 45.100 -0.016 0.000 0.763 15 G HN 0.302 nan 8.290 nan 0.000 0.554 16 Q N 0.060 119.852 119.800 -0.013 0.000 2.049 16 Q HA 0.131 4.471 4.340 -0.000 0.000 0.198 16 Q C 3.048 179.041 176.000 -0.010 0.000 0.971 16 Q CA 1.065 56.862 55.803 -0.011 0.000 0.833 16 Q CB -0.255 28.476 28.738 -0.011 0.000 0.896 16 Q HN 0.443 nan 8.270 nan 0.000 0.434 17 A N 1.228 124.041 122.820 -0.011 0.000 1.940 17 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 17 A C 2.272 179.851 177.584 -0.009 0.000 1.176 17 A CA 1.739 53.770 52.037 -0.010 0.000 0.631 17 A CB -0.812 18.181 19.000 -0.011 0.000 0.814 17 A HN 0.406 nan 8.150 nan 0.000 0.446 18 A N -0.231 122.583 122.820 -0.010 0.000 1.898 18 A HA 0.198 4.518 4.320 -0.000 0.000 0.216 18 A C 2.510 180.090 177.584 -0.008 0.000 1.181 18 A CA 1.970 54.002 52.037 -0.009 0.000 0.620 18 A CB -1.028 17.966 19.000 -0.010 0.000 0.819 18 A HN 1.090 nan 8.150 nan 0.000 0.442 19 A N -0.603 122.213 122.820 -0.008 0.000 1.933 19 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 19 A C 2.288 179.869 177.584 -0.006 0.000 1.175 19 A CA 1.661 53.694 52.037 -0.007 0.000 0.628 19 A CB -0.487 18.509 19.000 -0.007 0.000 0.814 19 A HN 0.438 nan 8.150 nan 0.000 0.444 20 R N -0.218 120.278 120.500 -0.006 0.000 2.073 20 R HA -0.030 4.310 4.340 -0.000 0.000 0.229 20 R C 2.315 178.612 176.300 -0.005 0.000 1.120 20 R CA 1.469 57.565 56.100 -0.006 0.000 0.967 20 R CB -0.598 29.698 30.300 -0.006 0.000 0.862 20 R HN 0.430 nan 8.270 nan 0.000 0.436 21 A N 0.816 123.633 122.820 -0.005 0.000 1.902 21 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 21 A C 2.364 179.945 177.584 -0.004 0.000 1.181 21 A CA 1.870 53.904 52.037 -0.005 0.000 0.623 21 A CB -0.695 18.302 19.000 -0.005 0.000 0.818 21 A HN 0.478 nan 8.150 nan 0.000 0.443 22 A N -0.256 122.561 122.820 -0.004 0.000 1.930 22 A HA 0.212 4.532 4.320 -0.000 0.000 0.217 22 A C 2.501 180.083 177.584 -0.003 0.000 1.175 22 A CA 1.938 53.973 52.037 -0.004 0.000 0.627 22 A CB -1.001 17.997 19.000 -0.004 0.000 0.815 22 A HN 1.049 nan 8.150 nan 0.000 0.443 23 A N 0.094 122.912 122.820 -0.004 0.000 1.883 23 A HA 0.088 4.408 4.320 -0.000 0.000 0.217 23 A C 2.526 180.108 177.584 -0.003 0.000 1.186 23 A CA 2.321 54.356 52.037 -0.003 0.000 0.624 23 A CB -1.107 17.891 19.000 -0.004 0.000 0.822 23 A HN 1.082 nan 8.150 nan 0.000 0.444 24 A N -0.044 122.774 122.820 -0.003 0.000 1.883 24 A HA -0.213 4.106 4.320 -0.000 0.000 0.217 24 A C 1.800 179.383 177.584 -0.002 0.000 1.186 24 A CA 1.973 54.009 52.037 -0.003 0.000 0.624 24 A CB -0.690 18.308 19.000 -0.003 0.000 0.822 24 A HN 0.475 nan 8.150 nan 0.000 0.444 25 D N -0.480 119.919 120.400 -0.002 0.000 2.123 25 D HA -0.152 4.488 4.640 -0.000 0.000 0.196 25 D C 1.852 178.151 176.300 -0.002 0.000 0.992 25 D CA 1.525 55.524 54.000 -0.002 0.000 0.833 25 D CB -0.425 40.373 40.800 -0.002 0.000 0.954 25 D HN 0.376 nan 8.370 nan 0.000 0.455 26 L N 0.746 121.968 121.223 -0.002 0.000 2.056 26 L HA 0.006 4.346 4.340 -0.000 0.000 0.207 26 L C 2.071 178.940 176.870 -0.002 0.000 1.078 26 L CA 1.759 56.598 54.840 -0.002 0.000 0.749 26 L CB -0.702 41.355 42.059 -0.002 0.000 0.901 26 L HN -0.034 nan 8.230 nan 0.000 0.433 27 A N -0.510 122.309 122.820 -0.002 0.000 2.019 27 A HA 0.037 4.357 4.320 -0.000 0.000 0.219 27 A C 2.222 179.805 177.584 -0.001 0.000 1.164 27 A CA 1.313 53.349 52.037 -0.002 0.000 0.644 27 A CB -0.950 18.049 19.000 -0.002 0.000 0.805 27 A HN 0.547 nan 8.150 nan 0.000 0.449 28 A N -1.424 121.396 122.820 -0.001 0.000 2.251 28 A HA 0.425 4.745 4.320 -0.000 0.000 0.209 28 A C 1.676 179.259 177.584 -0.001 0.000 1.187 28 A CA 0.991 53.028 52.037 -0.001 0.000 0.823 28 A CB -1.072 17.928 19.000 -0.001 0.000 0.846 28 A HN 1.798 nan 8.150 nan 0.000 0.486 29 G N -0.278 108.522 108.800 -0.001 0.000 2.249 29 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.273 29 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.273 29 G C -0.102 174.797 174.900 -0.001 0.000 1.036 29 G CA 0.265 45.364 45.100 -0.001 0.000 0.824 29 G HN 0.542 nan 8.290 nan 0.000 0.504 30 Q N 0.911 120.711 119.800 -0.001 0.000 2.295 30 Q HA 0.261 4.601 4.340 -0.000 0.000 0.259 30 Q C 0.026 176.026 176.000 -0.001 0.000 0.976 30 Q CA -0.204 55.598 55.803 -0.001 0.000 0.923 30 Q CB 1.109 29.846 28.738 -0.001 0.000 1.185 30 Q HN 0.412 nan 8.270 nan 0.000 0.410 31 D N 1.990 122.390 120.400 -0.000 0.000 2.382 31 D HA 0.055 4.695 4.640 -0.000 0.000 0.245 31 D C -0.415 175.885 176.300 -0.000 0.000 1.120 31 D CA 0.026 54.026 54.000 -0.000 0.000 0.890 31 D CB 0.812 41.612 40.800 0.000 0.000 1.201 31 D HN 0.227 nan 8.370 nan 0.000 0.433 32 D N 1.708 122.107 120.400 -0.000 0.000 2.371 32 D HA 0.071 4.711 4.640 -0.000 0.000 0.256 32 D C -0.030 176.270 176.300 0.000 0.000 1.193 32 D CA 0.445 54.444 54.000 -0.000 0.000 0.881 32 D CB 0.486 41.285 40.800 -0.001 0.000 1.143 32 D HN 0.264 nan 8.370 nan 0.000 0.473 33 E N 2.535 122.736 120.200 0.000 0.000 2.683 33 E HA 0.246 4.596 4.350 -0.000 0.000 0.224 33 E C -2.160 174.440 176.600 0.001 0.000 1.046 33 E CA -1.562 54.838 56.400 0.001 0.000 0.811 33 E CB 0.925 30.625 29.700 0.001 0.000 1.296 33 E HN 0.174 nan 8.360 nan 0.000 0.421 34 P HA -0.003 nan 4.420 nan 0.000 0.263 34 P C -0.518 176.783 177.300 0.002 0.000 1.175 34 P CA 0.296 63.396 63.100 0.001 0.000 0.761 34 P CB 0.657 32.358 31.700 0.001 0.000 0.794 35 R N 1.757 122.258 120.500 0.002 0.000 2.817 35 R HA 0.551 4.891 4.340 -0.000 0.000 0.268 35 R C -0.868 175.434 176.300 0.003 0.000 1.027 35 R CA -1.036 55.065 56.100 0.003 0.000 0.928 35 R CB 1.418 31.719 30.300 0.003 0.000 1.228 35 R HN 0.344 nan 8.270 nan 0.000 0.469 36 I N 3.363 123.936 120.570 0.004 0.000 2.325 36 I HA 0.219 4.389 4.170 -0.000 0.000 0.291 36 I C 0.291 176.410 176.117 0.004 0.000 1.019 36 I CA -0.388 60.914 61.300 0.004 0.000 1.302 36 I CB 1.071 39.075 38.000 0.007 0.000 1.401 36 I HN 0.318 nan 8.210 nan 0.000 0.485 37 L N 6.015 127.239 121.223 0.002 0.000 2.472 37 L HA 0.274 4.614 4.340 -0.000 0.000 0.260 37 L C 0.363 177.235 176.870 0.004 0.000 1.209 37 L CA -0.292 54.549 54.840 0.002 0.000 0.817 37 L CB 0.254 42.312 42.059 -0.002 0.000 1.106 37 L HN 0.580 nan 8.230 nan 0.000 0.479 38 E N 0.196 120.399 120.200 0.005 0.000 2.202 38 E HA 0.514 4.864 4.350 -0.000 0.000 0.272 38 E C -0.660 175.942 176.600 0.003 0.000 0.951 38 E CA -0.858 55.547 56.400 0.009 0.000 0.813 38 E CB 1.950 31.658 29.700 0.014 0.000 1.151 38 E HN 0.661 nan 8.360 nan 0.000 0.398 39 A N 3.557 126.379 122.820 0.003 0.000 2.406 39 A HA 0.319 4.639 4.320 -0.000 0.000 0.243 39 A C -2.034 175.549 177.584 -0.001 0.000 1.082 39 A CA -1.019 51.014 52.037 -0.007 0.000 0.786 39 A CB -0.375 18.617 19.000 -0.013 0.000 1.029 39 A HN 0.376 nan 8.150 nan 0.000 0.495 40 P HA 0.280 nan 4.420 nan 0.000 0.271 40 P C -0.076 177.226 177.300 0.004 0.000 1.233 40 P CA 0.099 63.197 63.100 -0.002 0.000 0.789 40 P CB 0.368 32.062 31.700 -0.009 0.000 0.951 41 A N 2.924 125.752 122.820 0.012 0.000 2.531 41 A HA 0.269 4.589 4.320 -0.000 0.000 0.236 41 A C -1.888 175.708 177.584 0.020 0.000 1.062 41 A CA -0.785 51.265 52.037 0.022 0.000 0.760 41 A CB -1.706 17.308 19.000 0.024 0.000 0.995 41 A HN 0.418 nan 8.150 nan 0.000 0.501 42 P HA 0.164 nan 4.420 nan 0.000 0.264 42 P C -0.812 176.508 177.300 0.032 0.000 1.183 42 P CA 0.475 63.599 63.100 0.039 0.000 0.763 42 P CB 0.487 32.228 31.700 0.067 0.000 0.807 43 D N 1.000 121.416 120.400 0.026 0.000 2.744 43 D HA 0.443 5.083 4.640 -0.000 0.000 0.304 43 D C 0.602 176.926 176.300 0.040 0.000 1.179 43 D CA -0.907 53.111 54.000 0.030 0.000 1.024 43 D CB 0.089 40.902 40.800 0.022 0.000 1.453 43 D HN 0.124 nan 8.370 nan 0.000 0.529 44 A N -0.613 122.233 122.820 0.045 0.000 2.067 44 A HA -0.070 4.250 4.320 -0.000 0.000 0.219 44 A C 1.715 179.351 177.584 0.086 0.000 1.158 44 A CA 0.884 52.958 52.037 0.060 0.000 0.661 44 A CB -0.536 18.497 19.000 0.054 0.000 0.801 44 A HN 0.453 nan 8.150 nan 0.000 0.452 45 R N -0.809 119.736 120.500 0.075 0.000 2.359 45 R HA 0.121 4.461 4.340 -0.000 0.000 0.231 45 R C 0.663 177.006 176.300 0.072 0.000 0.913 45 R CA -0.295 55.871 56.100 0.110 0.000 1.075 45 R CB 0.044 30.394 30.300 0.083 0.000 1.087 45 R HN 0.392 nan 8.270 nan 0.000 0.515 46 R N 1.512 122.015 120.500 0.006 0.000 2.491 46 R HA 0.193 4.533 4.340 -0.000 0.000 0.283 46 R C -0.949 175.252 176.300 -0.164 0.000 1.072 46 R CA 0.147 56.179 56.100 -0.113 0.000 1.048 46 R CB 1.017 31.234 30.300 -0.139 0.000 0.983 46 R HN -0.089 nan 8.270 nan 0.000 0.450 47 V N 5.606 125.313 119.914 -0.346 0.000 2.888 47 V HA 0.434 4.554 4.120 -0.000 0.000 0.309 47 V C -1.840 173.989 176.094 -0.443 0.000 1.114 47 V CA -0.704 61.359 62.300 -0.396 0.000 0.940 47 V CB 1.881 33.211 31.823 -0.822 0.000 1.021 47 V HN 0.753 nan 8.190 nan 0.000 0.426 48 Y N 4.213 124.414 120.300 -0.164 0.000 2.341 48 Y HA 0.711 5.261 4.550 -0.000 0.000 0.337 48 Y C 0.087 175.943 175.900 -0.074 0.000 1.014 48 Y CA -0.736 57.309 58.100 -0.092 0.000 1.111 48 Y CB 2.176 40.592 38.460 -0.073 0.000 1.194 48 Y HN 0.423 nan 8.280 nan 0.000 0.462 49 V N 3.931 123.916 119.914 0.119 0.000 2.407 49 V HA 0.338 4.458 4.120 -0.000 0.000 0.291 49 V C -0.803 175.402 176.094 0.186 0.000 1.018 49 V CA -1.065 61.298 62.300 0.105 0.000 0.842 49 V CB 1.391 33.233 31.823 0.032 0.000 0.996 49 V HN 0.737 nan 8.190 nan 0.000 0.426 50 N N 2.650 121.427 118.700 0.129 0.000 2.456 50 N HA 0.431 5.171 4.740 -0.000 0.000 0.288 50 N C -0.906 174.657 175.510 0.088 0.000 1.059 50 N CA -0.491 52.626 53.050 0.111 0.000 0.946 50 N CB 1.398 39.933 38.487 0.080 0.000 1.150 50 N HN 0.679 nan 8.380 nan 0.000 0.479 51 D N 2.325 122.783 120.400 0.097 0.000 2.477 51 D HA 0.334 4.974 4.640 -0.000 0.000 0.239 51 D C -2.064 174.231 176.300 -0.009 0.000 1.102 51 D CA -2.305 51.723 54.000 0.047 0.000 0.901 51 D CB 1.190 42.091 40.800 0.168 0.000 1.026 51 D HN 0.267 nan 8.370 nan 0.000 0.515 52 P HA 0.042 nan 4.420 nan 0.000 0.228 52 P C 0.241 177.480 177.300 -0.101 0.000 1.151 52 P CA 0.825 63.870 63.100 -0.093 0.000 0.770 52 P CB 0.080 31.684 31.700 -0.159 0.000 0.786 53 A N -0.724 121.996 122.820 -0.167 0.000 2.791 53 A HA -0.249 4.071 4.320 -0.000 0.000 0.292 53 A C 0.242 177.763 177.584 -0.105 0.000 1.487 53 A CA 0.923 52.904 52.037 -0.094 0.000 0.760 53 A CB -2.874 16.189 19.000 0.106 0.000 1.031 53 A HN 0.492 nan 8.150 nan 0.000 0.503 54 H N -3.050 115.899 119.070 -0.202 0.000 2.713 54 H HA -0.236 4.320 4.556 -0.000 0.000 0.311 54 H C 0.537 175.747 175.328 -0.196 0.000 1.175 54 H CA 1.639 57.472 56.048 -0.358 0.000 1.143 54 H CB -2.064 27.580 29.762 -0.197 0.000 1.434 54 H HN 1.624 nan 8.280 nan 0.000 0.418 55 F N -4.110 115.899 119.950 0.099 0.000 2.844 55 F HA -0.203 4.324 4.527 -0.000 0.000 0.288 55 F C 1.387 177.355 175.800 0.280 0.000 0.732 55 F CA 0.030 58.151 58.000 0.203 0.000 1.378 55 F CB -1.835 37.287 39.000 0.203 0.000 1.597 55 F HN 0.562 nan 8.300 nan 0.000 0.376 56 A N 0.329 123.334 122.820 0.308 0.000 2.425 56 A HA 0.650 4.970 4.320 -0.000 0.000 0.242 56 A C 1.494 179.252 177.584 0.290 0.000 1.077 56 A CA 0.343 52.505 52.037 0.208 0.000 0.781 56 A CB 0.397 19.451 19.000 0.089 0.000 1.020 56 A HN 0.972 nan 8.150 nan 0.000 0.494 57 A N 1.102 124.000 122.820 0.130 0.000 2.015 57 A HA 0.294 4.614 4.320 -0.000 0.000 0.219 57 A C 1.051 178.764 177.584 0.215 0.000 1.163 57 A CA 1.753 53.853 52.037 0.104 0.000 0.646 57 A CB -0.945 18.032 19.000 -0.039 0.000 0.806 57 A HN 1.997 nan 8.150 nan 0.000 0.448 58 V N -3.331 116.678 119.914 0.159 0.000 2.914 58 V HA 0.860 4.980 4.120 -0.000 0.000 0.314 58 V C -0.516 175.654 176.094 0.127 0.000 1.084 58 V CA 0.050 62.435 62.300 0.143 0.000 0.963 58 V CB 1.581 33.467 31.823 0.105 0.000 1.025 58 V HN 0.604 nan 8.190 nan 0.000 0.432 59 T N 0.978 115.592 114.554 0.101 0.000 2.787 59 T HA 0.752 5.102 4.350 -0.000 0.000 0.297 59 T C -1.012 173.705 174.700 0.028 0.000 1.221 59 T CA -0.814 61.333 62.100 0.077 0.000 1.006 59 T CB 2.119 71.023 68.868 0.060 0.000 1.328 59 T HN 0.910 nan 8.240 nan 0.000 0.509 60 Q N -0.010 119.781 119.800 -0.015 0.000 2.389 60 Q HA 0.516 4.856 4.340 -0.000 0.000 0.277 60 Q C -1.487 174.389 176.000 -0.207 0.000 1.082 60 Q CA -0.776 54.920 55.803 -0.178 0.000 0.810 60 Q CB 3.145 31.675 28.738 -0.347 0.000 1.374 60 Q HN 0.739 nan 8.270 nan 0.000 0.422 61 Q N 1.840 121.460 119.800 -0.299 0.000 2.337 61 Q HA 0.546 4.886 4.340 -0.000 0.000 0.266 61 Q C -1.615 174.141 176.000 -0.405 0.000 1.023 61 Q CA -0.535 55.155 55.803 -0.189 0.000 0.829 61 Q CB 1.062 29.759 28.738 -0.069 0.000 1.306 61 Q HN 0.510 nan 8.270 nan 0.000 0.449 62 F N 2.197 122.125 119.950 -0.037 0.000 2.444 62 F HA 0.412 4.939 4.527 -0.000 0.000 0.342 62 F C -0.389 175.339 175.800 -0.119 0.000 1.121 62 F CA -0.812 57.140 58.000 -0.080 0.000 0.997 62 F CB 1.766 40.705 39.000 -0.101 0.000 1.130 62 F HN 0.208 nan 8.300 nan 0.000 0.454 63 V N 5.383 125.275 119.914 -0.037 0.000 2.394 63 V HA 0.466 4.585 4.120 -0.000 0.000 0.282 63 V C -0.017 175.954 176.094 -0.204 0.000 1.031 63 V CA -0.611 61.534 62.300 -0.259 0.000 0.881 63 V CB 1.329 32.998 31.823 -0.257 0.000 0.982 63 V HN 0.572 nan 8.190 nan 0.000 0.451 64 I N 3.204 123.604 120.570 -0.284 0.000 2.545 64 I HA 0.367 4.537 4.170 -0.000 0.000 0.292 64 I C -0.712 175.296 176.117 -0.181 0.000 1.040 64 I CA -0.580 60.610 61.300 -0.183 0.000 1.068 64 I CB 2.355 40.259 38.000 -0.160 0.000 1.251 64 I HN 0.533 nan 8.210 nan 0.000 0.424 65 D N 4.504 124.839 120.400 -0.109 0.000 2.365 65 D HA 0.174 4.814 4.640 -0.000 0.000 0.237 65 D C 1.165 177.451 176.300 -0.024 0.000 1.190 65 D CA -0.103 53.857 54.000 -0.067 0.000 0.867 65 D CB 1.591 42.362 40.800 -0.048 0.000 1.050 65 D HN 0.694 nan 8.370 nan 0.000 0.491 66 G N 3.493 112.307 108.800 0.025 0.000 2.471 66 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.219 66 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.219 66 G C 1.267 176.222 174.900 0.091 0.000 1.125 66 G CA 0.547 45.733 45.100 0.145 0.000 0.775 66 G HN 0.516 nan 8.290 nan 0.000 0.548 67 E N 0.836 121.063 120.200 0.045 0.000 2.076 67 E HA 0.184 4.534 4.350 -0.000 0.000 0.190 67 E C 2.532 179.133 176.600 0.001 0.000 0.979 67 E CA 1.238 57.649 56.400 0.018 0.000 0.807 67 E CB -0.383 29.324 29.700 0.012 0.000 0.761 67 E HN 0.225 nan 8.360 nan 0.000 0.454 68 A N -0.330 122.487 122.820 -0.005 0.000 2.081 68 A HA 0.343 4.663 4.320 -0.000 0.000 0.214 68 A C 1.643 179.214 177.584 -0.021 0.000 1.158 68 A CA 0.794 52.822 52.037 -0.015 0.000 0.724 68 A CB -0.599 18.389 19.000 -0.019 0.000 0.826 68 A HN 0.498 nan 8.150 nan 0.000 0.463 69 G N -0.549 108.240 108.800 -0.018 0.000 2.298 69 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.287 69 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.287 69 G C 0.009 174.878 174.900 -0.051 0.000 1.075 69 G CA 0.537 45.617 45.100 -0.034 0.000 0.960 69 G HN 0.838 nan 8.290 nan 0.000 0.502 70 R N -0.391 120.079 120.500 -0.050 0.000 2.628 70 R HA 0.562 4.902 4.340 -0.000 0.000 0.288 70 R C -0.066 176.201 176.300 -0.056 0.000 0.980 70 R CA -0.836 55.233 56.100 -0.051 0.000 0.891 70 R CB 1.714 31.991 30.300 -0.039 0.000 1.188 70 R HN 0.137 nan 8.270 nan 0.000 0.450 71 V N 6.907 126.794 119.914 -0.046 0.000 2.479 71 V HA 0.064 4.184 4.120 -0.000 0.000 0.281 71 V C 1.292 177.370 176.094 -0.028 0.000 1.031 71 V CA 0.314 62.601 62.300 -0.021 0.000 1.038 71 V CB 0.771 32.614 31.823 0.032 0.000 0.981 71 V HN 0.751 nan 8.190 nan 0.000 0.478 72 I N 1.946 122.487 120.570 -0.048 0.000 4.082 72 I HA 0.721 4.891 4.170 -0.000 0.000 0.337 72 I C 0.724 176.811 176.117 -0.049 0.000 1.352 72 I CA 0.177 61.447 61.300 -0.050 0.000 1.097 72 I CB 0.490 38.451 38.000 -0.064 0.000 1.048 72 I HN 0.637 nan 8.210 nan 0.000 0.393 73 G N 1.043 109.812 108.800 -0.052 0.000 2.356 73 G HA2 0.589 4.549 3.960 -0.000 0.000 0.294 73 G HA3 0.589 4.549 3.960 -0.000 0.000 0.294 73 G C -1.630 173.217 174.900 -0.089 0.000 1.423 73 G CA -0.805 44.257 45.100 -0.063 0.000 0.806 73 G HN 0.039 nan 8.290 nan 0.000 0.527 74 M N -0.135 119.382 119.600 -0.138 0.000 2.569 74 M HA 0.605 5.085 4.480 -0.000 0.000 0.279 74 M C -1.493 174.657 176.300 -0.250 0.000 1.253 74 M CA -0.829 54.326 55.300 -0.242 0.000 0.867 74 M CB 2.747 35.160 32.600 -0.311 0.000 1.727 74 M HN 0.335 nan 8.290 nan 0.000 0.467 75 I N 1.152 121.540 120.570 -0.303 0.000 2.569 75 I HA 0.333 4.502 4.170 -0.000 0.000 0.290 75 I C -1.214 174.782 176.117 -0.200 0.000 1.088 75 I CA -0.546 60.553 61.300 -0.334 0.000 1.047 75 I CB 2.078 39.738 38.000 -0.567 0.000 1.237 75 I HN 0.587 nan 8.210 nan 0.000 0.421 76 D N 4.162 124.510 120.400 -0.087 0.000 2.302 76 D HA 0.589 5.229 4.640 -0.000 0.000 0.248 76 D C 0.367 176.777 176.300 0.184 0.000 1.094 76 D CA 0.296 54.309 54.000 0.022 0.000 0.897 76 D CB 2.241 43.069 40.800 0.048 0.000 1.200 76 D HN 0.782 nan 8.370 nan 0.000 0.429 77 G N -0.303 108.584 108.800 0.145 0.000 2.798 77 G HA2 0.610 4.570 3.960 -0.000 0.000 0.286 77 G HA3 0.610 4.570 3.960 -0.000 0.000 0.286 77 G C 0.103 175.056 174.900 0.089 0.000 1.389 77 G CA -0.491 44.686 45.100 0.129 0.000 0.894 77 G HN 0.444 nan 8.290 nan 0.000 0.488 78 G N -1.008 107.819 108.800 0.045 0.000 3.182 78 G HA2 0.430 4.390 3.960 -0.000 0.000 0.167 78 G HA3 0.430 4.390 3.960 -0.000 0.000 0.167 78 G C -0.808 174.202 174.900 0.183 0.000 1.537 78 G CA -0.506 44.677 45.100 0.139 0.000 1.046 78 G HN 0.497 nan 8.290 nan 0.000 0.580 79 F N 1.317 121.301 119.950 0.056 0.000 2.421 79 F HA 0.480 5.007 4.527 -0.000 0.000 0.358 79 F C 0.862 176.676 175.800 0.023 0.000 1.115 79 F CA -1.450 56.608 58.000 0.096 0.000 1.160 79 F CB -0.184 38.958 39.000 0.237 0.000 1.123 79 F HN 0.263 nan 8.300 nan 0.000 0.508 80 L N 5.875 126.931 121.223 -0.277 0.000 3.854 80 L HA -0.220 4.120 4.340 -0.000 0.000 0.460 80 L C -2.210 174.516 176.870 -0.241 0.000 1.228 80 L CA -0.452 54.182 54.840 -0.343 0.000 0.760 80 L CB -1.565 40.105 42.059 -0.648 0.000 1.597 80 L HN 0.434 nan 8.230 nan 0.000 0.852 81 P HA 0.118 nan 4.420 nan 0.000 0.272 81 P C -0.411 176.805 177.300 -0.140 0.000 1.240 81 P CA -0.130 62.831 63.100 -0.232 0.000 0.791 81 P CB 0.527 32.032 31.700 -0.325 0.000 0.978 82 N N 1.338 119.963 118.700 -0.125 0.000 2.469 82 N HA 0.317 5.057 4.740 -0.000 0.000 0.253 82 N C -2.380 173.135 175.510 0.008 0.000 0.970 82 N CA -1.470 51.550 53.050 -0.050 0.000 0.940 82 N CB 0.689 39.152 38.487 -0.040 0.000 1.128 82 N HN 0.338 nan 8.380 nan 0.000 0.503 83 P HA 0.245 nan 4.420 nan 0.000 0.286 83 P C -0.997 176.264 177.300 -0.066 0.000 1.261 83 P CA -0.502 62.610 63.100 0.020 0.000 0.821 83 P CB 1.504 33.199 31.700 -0.008 0.000 1.013 84 V N 0.035 119.906 119.914 -0.071 0.000 3.007 84 V HA 0.733 4.853 4.120 -0.000 0.000 0.311 84 V C -0.909 175.059 176.094 -0.209 0.000 1.120 84 V CA -1.048 61.173 62.300 -0.131 0.000 0.980 84 V CB 2.135 33.931 31.823 -0.045 0.000 1.033 84 V HN 0.254 nan 8.190 nan 0.000 0.429 85 V N 2.176 121.930 119.914 -0.268 0.000 2.577 85 V HA 0.782 4.902 4.120 -0.000 0.000 0.303 85 V C 0.639 176.521 176.094 -0.352 0.000 1.042 85 V CA -0.159 61.915 62.300 -0.377 0.000 0.872 85 V CB 1.639 33.203 31.823 -0.433 0.000 0.998 85 V HN 1.491 nan 8.190 nan 0.000 0.423 86 A N 2.760 125.222 122.820 -0.597 0.000 2.520 86 A HA 0.172 4.492 4.320 -0.000 0.000 0.245 86 A C 1.126 178.561 177.584 -0.249 0.000 1.072 86 A CA -0.000 51.698 52.037 -0.565 0.000 0.761 86 A CB -0.048 18.359 19.000 -0.989 0.000 1.004 86 A HN 0.888 nan 8.150 nan 0.000 0.499 87 D N 1.356 121.682 120.400 -0.123 0.000 2.221 87 D HA -0.156 4.484 4.640 -0.000 0.000 0.204 87 D C 1.111 177.392 176.300 -0.031 0.000 0.982 87 D CA 1.877 55.851 54.000 -0.043 0.000 0.857 87 D CB 0.018 40.817 40.800 -0.002 0.000 0.934 87 D HN 0.819 nan 8.370 nan 0.000 0.475 88 D N -1.199 119.177 120.400 -0.041 0.000 2.340 88 D HA 0.093 4.733 4.640 -0.000 0.000 0.220 88 D C 1.466 177.763 176.300 -0.004 0.000 1.039 88 D CA 0.759 54.755 54.000 -0.006 0.000 0.866 88 D CB -0.194 40.617 40.800 0.018 0.000 0.913 88 D HN 0.166 nan 8.370 nan 0.000 0.523 89 G N 0.357 109.136 108.800 -0.035 0.000 2.148 89 G HA2 -0.363 3.596 3.960 -0.000 0.000 0.254 89 G HA3 -0.363 3.596 3.960 -0.000 0.000 0.254 89 G C 1.130 176.039 174.900 0.016 0.000 0.981 89 G CA 0.912 46.010 45.100 -0.002 0.000 0.670 89 G HN 0.670 nan 8.290 nan 0.000 0.528 90 S N -0.787 114.917 115.700 0.006 0.000 2.470 90 S HA 0.546 5.016 4.470 -0.000 0.000 0.225 90 S C 0.690 175.441 174.600 0.253 0.000 1.006 90 S CA 1.132 59.410 58.200 0.130 0.000 0.934 90 S CB -0.197 63.124 63.200 0.202 0.000 0.778 90 S HN 1.853 nan 8.310 nan 0.000 0.517 91 F N -0.188 119.790 119.950 0.047 0.000 2.817 91 F HA 0.763 5.290 4.527 -0.000 0.000 0.317 91 F C -1.368 174.449 175.800 0.027 0.000 1.168 91 F CA -1.908 56.121 58.000 0.050 0.000 0.911 91 F CB 0.956 39.980 39.000 0.040 0.000 1.337 91 F HN 0.103 nan 8.300 nan 0.000 0.464 92 I N -0.014 120.703 120.570 0.246 0.000 3.042 92 I HA 1.045 5.215 4.170 -0.000 0.000 0.310 92 I C -1.189 175.146 176.117 0.363 0.000 1.117 92 I CA -1.270 60.080 61.300 0.084 0.000 1.003 92 I CB 1.969 39.895 38.000 -0.123 0.000 1.228 92 I HN 1.171 nan 8.210 nan 0.000 0.443 93 A N 2.022 124.980 122.820 0.230 0.000 2.609 93 A HA 0.839 5.159 4.320 -0.000 0.000 0.291 93 A C -1.444 176.255 177.584 0.192 0.000 1.096 93 A CA -0.531 51.651 52.037 0.241 0.000 0.684 93 A CB 1.554 20.719 19.000 0.274 0.000 1.282 93 A HN 1.144 nan 8.150 nan 0.000 0.412 94 H N -1.049 118.121 119.070 0.167 0.000 3.008 94 H HA 0.838 5.394 4.556 -0.000 0.000 0.354 94 H C -0.593 174.691 175.328 -0.073 0.000 1.252 94 H CA -0.777 55.298 56.048 0.045 0.000 1.117 94 H CB 1.928 31.721 29.762 0.052 0.000 1.857 94 H HN 1.064 nan 8.280 nan 0.000 0.547 95 A N 1.619 124.416 122.820 -0.037 0.000 2.292 95 A HA 0.566 4.886 4.320 -0.000 0.000 0.319 95 A C -0.349 176.933 177.584 -0.503 0.000 1.206 95 A CA -0.257 51.605 52.037 -0.290 0.000 0.835 95 A CB 1.372 20.211 19.000 -0.268 0.000 1.164 95 A HN 0.676 nan 8.150 nan 0.000 0.505 96 S N 0.576 115.792 115.700 -0.807 0.000 2.651 96 S HA 0.863 5.333 4.470 -0.000 0.000 0.279 96 S C -0.826 173.338 174.600 -0.725 0.000 1.148 96 S CA -0.323 57.362 58.200 -0.857 0.000 0.837 96 S CB 1.874 64.388 63.200 -1.143 0.000 1.138 96 S HN 0.848 nan 8.310 nan 0.000 0.478 97 T N 1.614 115.988 114.554 -0.300 0.000 2.991 97 T HA 0.616 4.966 4.350 -0.000 0.000 0.303 97 T C -0.815 173.887 174.700 0.004 0.000 1.015 97 T CA -0.481 61.542 62.100 -0.128 0.000 1.007 97 T CB 1.171 69.999 68.868 -0.066 0.000 1.034 97 T HN 1.013 nan 8.240 nan 0.000 0.446 98 V N 0.437 120.304 119.914 -0.080 0.000 3.126 98 V HA 0.960 5.080 4.120 -0.000 0.000 0.314 98 V C -1.520 174.278 176.094 -0.494 0.000 1.138 98 V CA -1.131 61.108 62.300 -0.103 0.000 1.034 98 V CB 1.836 33.680 31.823 0.035 0.000 1.075 98 V HN 0.729 nan 8.190 nan 0.000 0.442 99 F N 0.146 120.112 119.950 0.026 0.000 2.576 99 F HA 0.594 5.121 4.527 -0.000 0.000 0.313 99 F C 1.432 177.224 175.800 -0.014 0.000 1.078 99 F CA -0.066 57.932 58.000 -0.004 0.000 0.921 99 F CB 2.494 41.474 39.000 -0.033 0.000 1.232 99 F HN 0.693 nan 8.300 nan 0.000 0.459 100 S N 0.751 116.543 115.700 0.153 0.000 2.423 100 S HA 0.014 4.483 4.470 -0.000 0.000 0.231 100 S C 0.810 175.450 174.600 0.067 0.000 1.014 100 S CA 0.811 59.055 58.200 0.073 0.000 0.965 100 S CB -0.097 63.129 63.200 0.043 0.000 0.785 100 S HN 0.510 nan 8.310 nan 0.000 0.495 101 R N 0.621 121.170 120.500 0.083 0.000 2.651 101 R HA 0.504 4.843 4.340 -0.000 0.000 0.282 101 R C 0.050 176.361 176.300 0.019 0.000 1.565 101 R CA -0.077 56.045 56.100 0.036 0.000 1.661 101 R CB -0.514 29.792 30.300 0.011 0.000 1.189 101 R HN 0.374 nan 8.270 nan 0.000 0.621 102 I N 0.252 120.849 120.570 0.044 0.000 4.810 102 I HA -0.508 3.662 4.170 -0.000 0.000 0.042 102 I C 1.265 177.372 176.117 -0.016 0.000 0.632 102 I CA 2.630 63.944 61.300 0.024 0.000 0.518 102 I CB -1.075 36.913 38.000 -0.019 0.000 0.518 102 I HN 0.492 nan 8.210 nan 0.000 0.154 103 A N 0.775 123.491 122.820 -0.174 0.000 2.508 103 A HA 0.536 4.855 4.320 -0.000 0.000 0.250 103 A C 0.636 177.831 177.584 -0.648 0.000 1.208 103 A CA 0.462 52.201 52.037 -0.496 0.000 0.960 103 A CB 0.046 18.783 19.000 -0.437 0.000 1.099 103 A HN 0.594 nan 8.150 nan 0.000 0.542 104 R N -2.837 117.486 120.500 -0.295 0.000 2.869 104 R HA 0.805 5.145 4.340 -0.000 0.000 0.263 104 R C 0.524 176.835 176.300 0.020 0.000 1.066 104 R CA -0.272 55.716 56.100 -0.187 0.000 0.960 104 R CB 0.357 30.573 30.300 -0.141 0.000 1.221 104 R HN 1.142 nan 8.270 nan 0.000 0.474 105 G N 0.391 109.223 108.800 0.053 0.000 2.512 105 G HA2 -0.224 3.735 3.960 -0.000 0.000 0.210 105 G HA3 -0.224 3.735 3.960 -0.000 0.000 0.210 105 G C -1.088 173.907 174.900 0.157 0.000 1.295 105 G CA -0.079 45.074 45.100 0.090 0.000 0.934 105 G HN 0.894 nan 8.290 nan 0.000 0.554 106 E N 0.332 120.596 120.200 0.107 0.000 2.376 106 E HA 0.351 4.701 4.350 -0.000 0.000 0.266 106 E C 0.767 177.403 176.600 0.060 0.000 1.009 106 E CA -0.317 56.127 56.400 0.073 0.000 0.902 106 E CB 0.366 30.078 29.700 0.020 0.000 0.972 106 E HN 0.573 nan 8.360 nan 0.000 0.439 107 R N 2.768 123.267 120.500 -0.002 0.000 2.297 107 R HA 0.219 4.559 4.340 -0.000 0.000 0.308 107 R C -1.118 175.048 176.300 -0.224 0.000 1.029 107 R CA -0.140 55.797 56.100 -0.272 0.000 0.929 107 R CB 1.045 31.243 30.300 -0.170 0.000 1.046 107 R HN 0.384 nan 8.270 nan 0.000 0.461 108 T N 3.853 118.237 114.554 -0.283 0.000 2.809 108 T HA 0.236 4.586 4.350 -0.000 0.000 0.284 108 T C -1.248 173.418 174.700 -0.057 0.000 0.992 108 T CA -0.836 61.184 62.100 -0.133 0.000 0.957 108 T CB 1.329 70.139 68.868 -0.096 0.000 0.942 108 T HN 0.501 nan 8.240 nan 0.000 0.439 109 D N 2.568 122.924 120.400 -0.073 0.000 2.175 109 D HA 0.574 5.214 4.640 -0.000 0.000 0.248 109 D C -0.498 175.792 176.300 -0.018 0.000 1.047 109 D CA 0.020 53.948 54.000 -0.120 0.000 0.883 109 D CB 1.125 41.786 40.800 -0.233 0.000 1.180 109 D HN 0.624 nan 8.370 nan 0.000 0.438 110 Y N -1.896 118.284 120.300 -0.199 0.000 2.624 110 Y HA 0.604 5.154 4.550 -0.000 0.000 0.334 110 Y C -1.678 174.155 175.900 -0.112 0.000 1.155 110 Y CA -1.314 56.701 58.100 -0.142 0.000 1.046 110 Y CB 0.573 38.974 38.460 -0.098 0.000 1.316 110 Y HN 0.082 nan 8.280 nan 0.000 0.457 111 V N 2.424 122.336 119.914 -0.003 0.000 2.459 111 V HA 0.431 4.551 4.120 -0.000 0.000 0.295 111 V C -0.575 175.576 176.094 0.096 0.000 1.029 111 V CA -0.671 61.623 62.300 -0.009 0.000 0.874 111 V CB 1.523 33.351 31.823 0.008 0.000 0.985 111 V HN 0.831 nan 8.190 nan 0.000 0.438 112 E N 2.880 123.141 120.200 0.102 0.000 2.195 112 E HA 0.636 4.986 4.350 -0.000 0.000 0.271 112 E C -1.396 174.971 176.600 -0.388 0.000 0.923 112 E CA -0.630 55.662 56.400 -0.181 0.000 0.790 112 E CB 2.652 32.159 29.700 -0.322 0.000 1.155 112 E HN 0.414 nan 8.360 nan 0.000 0.402 113 V N 3.387 123.011 119.914 -0.483 0.000 2.581 113 V HA 0.493 4.613 4.120 -0.000 0.000 0.303 113 V C -0.820 174.945 176.094 -0.548 0.000 1.041 113 V CA -0.615 61.483 62.300 -0.336 0.000 0.907 113 V CB 0.788 32.460 31.823 -0.253 0.000 0.994 113 V HN 0.511 nan 8.190 nan 0.000 0.442 114 F N 1.052 121.021 119.950 0.032 0.000 2.563 114 F HA 0.405 4.931 4.527 -0.000 0.000 0.316 114 F C 0.201 176.047 175.800 0.076 0.000 1.076 114 F CA -0.846 57.169 58.000 0.025 0.000 0.921 114 F CB 1.398 40.391 39.000 -0.012 0.000 1.209 114 F HN 0.439 nan 8.300 nan 0.000 0.462 115 D N 3.857 124.403 120.400 0.244 0.000 2.390 115 D HA 0.104 4.744 4.640 -0.000 0.000 0.249 115 D C -1.806 174.603 176.300 0.182 0.000 1.144 115 D CA -1.415 52.694 54.000 0.182 0.000 0.880 115 D CB 1.804 42.677 40.800 0.122 0.000 1.182 115 D HN 0.196 nan 8.370 nan 0.000 0.451 116 P HA -0.044 nan 4.420 nan 0.000 0.249 116 P C 1.134 178.492 177.300 0.097 0.000 1.229 116 P CA 0.224 63.411 63.100 0.145 0.000 0.788 116 P CB 0.361 32.151 31.700 0.150 0.000 1.072 117 V N -1.066 118.898 119.914 0.082 0.000 2.908 117 V HA 0.023 4.143 4.120 -0.000 0.000 0.240 117 V C 2.108 178.229 176.094 0.045 0.000 1.117 117 V CA 1.871 64.203 62.300 0.053 0.000 1.133 117 V CB -1.054 30.795 31.823 0.044 0.000 0.857 117 V HN 0.138 nan 8.190 nan 0.000 0.478 118 T N -1.773 112.815 114.554 0.058 0.000 3.067 118 T HA 0.167 4.517 4.350 -0.000 0.000 0.261 118 T C 1.379 176.113 174.700 0.058 0.000 1.110 118 T CA 0.820 62.950 62.100 0.051 0.000 1.113 118 T CB -0.371 68.529 68.868 0.053 0.000 0.917 118 T HN 0.661 nan 8.240 nan 0.000 0.499 119 L N -0.822 120.449 121.223 0.079 0.000 4.625 119 L HA -0.145 4.195 4.340 -0.000 0.000 0.428 119 L C 0.017 176.999 176.870 0.185 0.000 1.129 119 L CA 0.079 54.967 54.840 0.080 0.000 0.978 119 L CB -2.047 39.999 42.059 -0.021 0.000 2.043 119 L HN 0.407 nan 8.230 nan 0.000 0.847 120 L N 1.662 122.992 121.223 0.178 0.000 2.397 120 L HA 0.329 4.669 4.340 -0.000 0.000 0.271 120 L C -1.586 175.414 176.870 0.217 0.000 1.148 120 L CA -1.663 53.285 54.840 0.180 0.000 0.825 120 L CB 0.368 42.482 42.059 0.092 0.000 1.117 120 L HN -0.231 nan 8.230 nan 0.000 0.456 121 P HA 0.051 nan 4.420 nan 0.000 0.271 121 P C 0.261 177.490 177.300 -0.118 0.000 1.220 121 P CA -0.175 62.833 63.100 -0.153 0.000 0.768 121 P CB 0.783 32.383 31.700 -0.166 0.000 0.848 122 T N -0.387 114.066 114.554 -0.169 0.000 3.001 122 T HA 0.531 4.881 4.350 -0.000 0.000 0.251 122 T C 0.492 175.114 174.700 -0.129 0.000 1.040 122 T CA -0.074 61.962 62.100 -0.105 0.000 0.985 122 T CB 0.265 69.090 68.868 -0.073 0.000 1.011 122 T HN 0.507 nan 8.240 nan 0.000 0.509 123 A N 0.684 123.393 122.820 -0.184 0.000 2.549 123 A HA 0.662 4.982 4.320 -0.000 0.000 0.297 123 A C -2.001 175.497 177.584 -0.143 0.000 1.061 123 A CA -0.672 51.281 52.037 -0.141 0.000 0.690 123 A CB 1.762 20.681 19.000 -0.135 0.000 1.287 123 A HN 0.146 nan 8.150 nan 0.000 0.402 124 D N 1.892 122.245 120.400 -0.078 0.000 2.476 124 D HA 0.500 5.140 4.640 -0.000 0.000 0.251 124 D C -1.482 174.821 176.300 0.005 0.000 1.291 124 D CA 0.027 54.008 54.000 -0.031 0.000 0.939 124 D CB 0.914 41.675 40.800 -0.064 0.000 1.221 124 D HN 0.425 nan 8.370 nan 0.000 0.567 125 I N 2.989 123.590 120.570 0.052 0.000 2.382 125 I HA 0.219 4.389 4.170 -0.000 0.000 0.285 125 I C 0.452 176.618 176.117 0.081 0.000 1.007 125 I CA -0.790 60.546 61.300 0.059 0.000 1.142 125 I CB 1.835 39.875 38.000 0.067 0.000 1.289 125 I HN 0.250 nan 8.210 nan 0.000 0.453 126 E N 7.133 127.363 120.200 0.051 0.000 2.354 126 E HA 0.346 4.696 4.350 -0.000 0.000 0.269 126 E C -1.205 175.368 176.600 -0.045 0.000 1.036 126 E CA -0.472 55.941 56.400 0.022 0.000 0.876 126 E CB 0.930 30.621 29.700 -0.015 0.000 1.009 126 E HN 0.530 nan 8.360 nan 0.000 0.416 127 L N 6.989 128.133 121.223 -0.131 0.000 2.265 127 L HA 0.408 4.748 4.340 -0.000 0.000 0.289 127 L C -2.010 174.646 176.870 -0.356 0.000 1.033 127 L CA -2.381 52.265 54.840 -0.323 0.000 0.814 127 L CB 1.193 43.041 42.059 -0.352 0.000 1.203 127 L HN 0.497 nan 8.230 nan 0.000 0.423 128 P HA 0.036 nan 4.420 nan 0.000 0.268 128 P C -0.516 176.645 177.300 -0.232 0.000 1.205 128 P CA 0.137 63.054 63.100 -0.306 0.000 0.771 128 P CB 0.606 32.127 31.700 -0.298 0.000 0.858 129 D N 1.049 121.369 120.400 -0.133 0.000 2.907 129 D HA -0.183 4.457 4.640 -0.000 0.000 0.226 129 D C 0.195 176.454 176.300 -0.069 0.000 1.141 129 D CA 1.360 55.311 54.000 -0.082 0.000 0.779 129 D CB -1.961 38.799 40.800 -0.066 0.000 1.095 129 D HN 0.713 nan 8.370 nan 0.000 0.430 130 A N -0.744 122.023 122.820 -0.088 0.000 2.261 130 A HA -0.171 4.149 4.320 -0.000 0.000 0.282 130 A C -0.859 176.711 177.584 -0.025 0.000 1.403 130 A CA 1.024 53.019 52.037 -0.069 0.000 0.753 130 A CB -0.729 18.251 19.000 -0.035 0.000 1.125 130 A HN 0.331 nan 8.150 nan 0.000 0.358 131 P HA 0.055 nan 4.420 nan 0.000 0.261 131 P C 0.479 177.885 177.300 0.175 0.000 1.268 131 P CA 0.087 63.242 63.100 0.091 0.000 0.833 131 P CB 0.242 32.055 31.700 0.188 0.000 1.231 132 R N 0.096 120.622 120.500 0.043 0.000 2.694 132 R HA 0.223 4.563 4.340 -0.000 0.000 0.268 132 R C -0.076 176.362 176.300 0.231 0.000 1.061 132 R CA -0.421 55.726 56.100 0.078 0.000 1.133 132 R CB 0.173 30.402 30.300 -0.118 0.000 1.020 132 R HN 0.013 nan 8.270 nan 0.000 0.475 133 F N 3.928 123.939 119.950 0.101 0.000 2.413 133 F HA 0.221 4.748 4.527 -0.000 0.000 0.359 133 F C -0.529 175.272 175.800 0.001 0.000 1.122 133 F CA -1.215 56.852 58.000 0.112 0.000 1.160 133 F CB 0.170 39.311 39.000 0.234 0.000 1.146 133 F HN 0.262 nan 8.300 nan 0.000 0.514 134 L N 7.917 129.162 121.223 0.037 0.000 2.295 134 L HA 0.508 4.848 4.340 -0.000 0.000 0.288 134 L C -0.319 176.227 176.870 -0.541 0.000 1.079 134 L CA -0.533 54.158 54.840 -0.248 0.000 0.830 134 L CB 0.704 42.737 42.059 -0.043 0.000 1.200 134 L HN 0.469 nan 8.230 nan 0.000 0.438 135 V N 2.416 121.917 119.914 -0.688 0.000 3.147 135 V HA 0.647 4.767 4.120 -0.000 0.000 0.299 135 V C 0.269 176.106 176.094 -0.428 0.000 1.302 135 V CA -0.447 61.407 62.300 -0.743 0.000 1.015 135 V CB 2.285 33.248 31.823 -1.434 0.000 1.086 135 V HN 0.698 nan 8.190 nan 0.000 0.437 136 G N 2.654 111.409 108.800 -0.075 0.000 2.474 136 G HA2 0.296 4.256 3.960 -0.000 0.000 0.233 136 G HA3 0.296 4.256 3.960 -0.000 0.000 0.233 136 G C 0.140 175.140 174.900 0.167 0.000 1.278 136 G CA 0.462 45.730 45.100 0.281 0.000 0.861 136 G HN 1.004 nan 8.290 nan 0.000 0.567 137 T N 2.644 117.436 114.554 0.397 0.000 2.769 137 T HA 0.201 4.551 4.350 -0.000 0.000 0.293 137 T C -0.761 174.244 174.700 0.508 0.000 0.931 137 T CA 0.503 62.771 62.100 0.279 0.000 1.139 137 T CB 0.041 69.045 68.868 0.227 0.000 0.881 137 T HN 0.294 nan 8.240 nan 0.000 0.532 138 Y N 3.887 124.226 120.300 0.064 0.000 2.356 138 Y HA 0.331 4.881 4.550 -0.000 0.000 0.334 138 Y C -1.810 174.051 175.900 -0.065 0.000 0.958 138 Y CA -3.611 54.414 58.100 -0.125 0.000 1.196 138 Y CB 1.010 39.340 38.460 -0.217 0.000 1.137 138 Y HN 0.444 nan 8.280 nan 0.000 0.485 139 P HA -0.195 nan 4.420 nan 0.000 0.216 139 P C 0.560 177.607 177.300 -0.422 0.000 1.157 139 P CA 2.095 65.053 63.100 -0.237 0.000 0.880 139 P CB 0.106 31.589 31.700 -0.362 0.000 0.791 140 W N -2.236 119.156 121.300 0.152 0.000 3.438 140 W HA 0.181 4.841 4.660 -0.000 0.000 0.322 140 W C 1.478 177.986 176.519 -0.017 0.000 1.261 140 W CA -0.146 57.229 57.345 0.049 0.000 1.788 140 W CB -0.478 28.969 29.460 -0.021 0.000 1.065 140 W HN -0.093 nan 8.180 nan 0.000 0.715 141 M N -0.385 119.295 119.600 0.134 0.000 2.495 141 M HA 0.165 4.645 4.480 -0.000 0.000 0.237 141 M C -0.063 176.329 176.300 0.154 0.000 1.131 141 M CA 0.990 56.364 55.300 0.124 0.000 1.032 141 M CB -0.485 32.200 32.600 0.142 0.000 1.513 141 M HN -0.336 nan 8.290 nan 0.000 0.488 142 T N 0.080 114.687 114.554 0.088 0.000 3.172 142 T HA 0.450 4.800 4.350 -0.000 0.000 0.320 142 T C -0.821 173.906 174.700 0.044 0.000 1.085 142 T CA -0.507 61.655 62.100 0.104 0.000 1.052 142 T CB 2.051 70.976 68.868 0.094 0.000 1.107 142 T HN -0.016 nan 8.240 nan 0.000 0.458 143 S N 2.512 118.273 115.700 0.102 0.000 2.536 143 S HA 0.605 5.075 4.470 -0.000 0.000 0.271 143 S C -0.677 174.038 174.600 0.191 0.000 1.134 143 S CA -0.879 57.426 58.200 0.174 0.000 0.897 143 S CB 1.227 64.636 63.200 0.349 0.000 1.094 143 S HN 0.550 nan 8.310 nan 0.000 0.473 144 L N 2.531 123.887 121.223 0.222 0.000 2.375 144 L HA 0.463 4.803 4.340 -0.000 0.000 0.271 144 L C 1.090 178.120 176.870 0.266 0.000 1.107 144 L CA -0.624 54.355 54.840 0.231 0.000 0.806 144 L CB 0.888 43.071 42.059 0.207 0.000 1.146 144 L HN 0.796 nan 8.230 nan 0.000 0.447 145 T N -1.431 113.267 114.554 0.240 0.000 2.868 145 T HA 0.198 4.548 4.350 -0.000 0.000 0.292 145 T C -1.939 172.888 174.700 0.211 0.000 1.028 145 T CA -1.619 60.624 62.100 0.238 0.000 1.059 145 T CB 1.037 70.033 68.868 0.212 0.000 0.991 145 T HN 0.360 nan 8.240 nan 0.000 0.531 146 P HA -0.085 nan 4.420 nan 0.000 0.218 146 P C 0.992 178.369 177.300 0.128 0.000 1.148 146 P CA 1.065 64.254 63.100 0.148 0.000 0.822 146 P CB -0.119 31.657 31.700 0.127 0.000 0.784 147 D N -1.785 118.692 120.400 0.129 0.000 2.363 147 D HA 0.040 4.680 4.640 -0.000 0.000 0.226 147 D C 1.500 177.901 176.300 0.168 0.000 1.020 147 D CA 0.812 54.886 54.000 0.122 0.000 0.892 147 D CB -1.190 39.667 40.800 0.096 0.000 0.900 147 D HN 0.213 nan 8.370 nan 0.000 0.531 148 G N 0.625 109.554 108.800 0.215 0.000 2.189 148 G HA2 -0.414 3.546 3.960 -0.000 0.000 0.267 148 G HA3 -0.414 3.546 3.960 -0.000 0.000 0.267 148 G C 1.035 176.103 174.900 0.280 0.000 0.975 148 G CA 0.631 45.944 45.100 0.354 0.000 0.644 148 G HN 0.487 nan 8.290 nan 0.000 0.537 149 K N -0.274 120.223 120.400 0.162 0.000 2.400 149 K HA 0.167 4.487 4.320 -0.000 0.000 0.194 149 K C 0.489 177.138 176.600 0.081 0.000 1.033 149 K CA 1.030 57.366 56.287 0.082 0.000 1.021 149 K CB 0.350 32.889 32.500 0.065 0.000 0.808 149 K HN 0.358 nan 8.250 nan 0.000 0.505 150 T N 0.985 115.619 114.554 0.133 0.000 2.886 150 T HA 0.416 4.766 4.350 -0.000 0.000 0.292 150 T C -1.391 173.406 174.700 0.161 0.000 1.012 150 T CA -0.690 61.492 62.100 0.136 0.000 0.982 150 T CB 2.036 71.006 68.868 0.170 0.000 1.018 150 T HN 0.018 nan 8.240 nan 0.000 0.451 151 L N 3.869 125.177 121.223 0.142 0.000 2.346 151 L HA 0.744 5.084 4.340 -0.000 0.000 0.276 151 L C -1.650 175.298 176.870 0.129 0.000 1.006 151 L CA -0.924 54.011 54.840 0.159 0.000 0.817 151 L CB 0.903 43.067 42.059 0.175 0.000 1.272 151 L HN 0.575 nan 8.230 nan 0.000 0.421 152 L N 5.457 126.725 121.223 0.075 0.000 2.346 152 L HA 0.600 4.940 4.340 -0.000 0.000 0.276 152 L C -0.897 175.989 176.870 0.027 0.000 1.006 152 L CA -0.645 54.141 54.840 -0.091 0.000 0.817 152 L CB 1.632 43.502 42.059 -0.315 0.000 1.272 152 L HN 0.589 nan 8.230 nan 0.000 0.421 153 F N 0.902 120.824 119.950 -0.047 0.000 2.599 153 F HA 0.566 5.093 4.527 -0.000 0.000 0.311 153 F C -1.157 174.684 175.800 0.068 0.000 1.076 153 F CA -1.261 56.754 58.000 0.026 0.000 0.937 153 F CB 1.082 40.105 39.000 0.038 0.000 1.282 153 F HN 0.267 nan 8.300 nan 0.000 0.460 154 Y N 2.540 122.915 120.300 0.125 0.000 2.308 154 Y HA 0.376 4.926 4.550 -0.000 0.000 0.329 154 Y C -0.381 175.642 175.900 0.205 0.000 1.111 154 Y CA -0.473 57.663 58.100 0.060 0.000 1.179 154 Y CB 1.198 39.737 38.460 0.131 0.000 1.201 154 Y HN 0.843 nan 8.280 nan 0.000 0.483 155 Q N 5.742 125.155 119.800 -0.644 0.000 2.322 155 Q HA 0.202 4.542 4.340 -0.000 0.000 0.265 155 Q C -0.714 174.675 176.000 -1.019 0.000 0.985 155 Q CA -0.505 55.003 55.803 -0.491 0.000 0.849 155 Q CB 0.987 29.579 28.738 -0.243 0.000 1.274 155 Q HN 0.897 nan 8.270 nan 0.000 0.449 156 F N 2.439 121.898 119.950 -0.818 0.000 2.317 156 F HA 0.272 4.799 4.527 -0.000 0.000 0.290 156 F C 0.297 175.902 175.800 -0.327 0.000 1.075 156 F CA 0.387 57.956 58.000 -0.718 0.000 1.380 156 F CB 0.824 39.117 39.000 -1.179 0.000 1.093 156 F HN 0.430 nan 8.300 nan 0.000 0.524 157 S N 0.473 116.027 115.700 -0.244 0.000 2.614 157 S HA 0.490 4.960 4.470 -0.000 0.000 0.288 157 S C -2.331 172.209 174.600 -0.100 0.000 1.137 157 S CA -1.122 56.943 58.200 -0.225 0.000 0.992 157 S CB 1.534 64.718 63.200 -0.026 0.000 1.026 157 S HN 0.013 nan 8.310 nan 0.000 0.486 158 P HA 0.458 nan 4.420 nan 0.000 0.268 158 P C -0.329 176.860 177.300 -0.185 0.000 1.248 158 P CA 0.116 63.143 63.100 -0.123 0.000 0.851 158 P CB 0.535 32.191 31.700 -0.073 0.000 1.238 159 A N 0.243 122.932 122.820 -0.218 0.000 2.604 159 A HA 0.625 4.945 4.320 -0.000 0.000 0.295 159 A C -3.069 174.348 177.584 -0.278 0.000 1.067 159 A CA -1.660 50.243 52.037 -0.223 0.000 0.683 159 A CB 0.775 19.689 19.000 -0.144 0.000 1.281 159 A HN -0.249 nan 8.150 nan 0.000 0.407 160 P HA 0.420 nan 4.420 nan 0.000 0.267 160 P C -0.317 176.836 177.300 -0.246 0.000 1.209 160 P CA 0.592 63.523 63.100 -0.281 0.000 0.763 160 P CB 1.065 32.673 31.700 -0.154 0.000 0.816 161 A N 3.148 125.748 122.820 -0.366 0.000 2.612 161 A HA 0.602 4.921 4.320 -0.000 0.000 0.293 161 A C -1.491 175.911 177.584 -0.304 0.000 1.075 161 A CA -0.564 51.320 52.037 -0.256 0.000 0.680 161 A CB 1.465 20.337 19.000 -0.214 0.000 1.279 161 A HN 0.249 nan 8.150 nan 0.000 0.411 162 V N 1.145 120.908 119.914 -0.252 0.000 2.407 162 V HA 0.628 4.748 4.120 -0.000 0.000 0.291 162 V C 0.793 176.559 176.094 -0.548 0.000 1.018 162 V CA -0.062 62.007 62.300 -0.385 0.000 0.842 162 V CB 1.522 33.172 31.823 -0.288 0.000 0.996 162 V HN 1.368 nan 8.190 nan 0.000 0.426 163 G N 3.550 111.750 108.800 -1.001 0.000 2.390 163 G HA2 0.505 4.465 3.960 -0.000 0.000 0.270 163 G HA3 0.505 4.465 3.960 -0.000 0.000 0.270 163 G C -0.642 173.922 174.900 -0.561 0.000 1.211 163 G CA -0.238 44.332 45.100 -0.883 0.000 0.842 163 G HN 0.556 nan 8.290 nan 0.000 0.519 164 V N 2.639 122.330 119.914 -0.372 0.000 2.384 164 V HA 0.389 4.509 4.120 -0.000 0.000 0.287 164 V C -0.185 175.793 176.094 -0.194 0.000 1.020 164 V CA -0.611 61.520 62.300 -0.283 0.000 0.850 164 V CB 1.457 33.084 31.823 -0.325 0.000 0.987 164 V HN 0.502 nan 8.190 nan 0.000 0.436 165 V N 3.657 123.580 119.914 0.015 0.000 2.444 165 V HA 0.386 4.506 4.120 -0.000 0.000 0.294 165 V C -0.524 175.605 176.094 0.057 0.000 1.022 165 V CA -0.605 61.750 62.300 0.092 0.000 0.850 165 V CB 2.007 33.974 31.823 0.239 0.000 0.992 165 V HN 0.933 nan 8.190 nan 0.000 0.426 166 D N 4.229 124.644 120.400 0.026 0.000 2.347 166 D HA 0.326 4.966 4.640 -0.000 0.000 0.235 166 D C 0.788 177.091 176.300 0.005 0.000 1.149 166 D CA -0.129 53.883 54.000 0.020 0.000 0.850 166 D CB 1.298 42.102 40.800 0.005 0.000 1.061 166 D HN 0.411 nan 8.370 nan 0.000 0.487 167 L N 2.771 123.986 121.223 -0.013 0.000 2.209 167 L HA 0.053 4.393 4.340 -0.000 0.000 0.207 167 L C 2.186 178.990 176.870 -0.110 0.000 1.094 167 L CA 0.380 55.168 54.840 -0.086 0.000 0.790 167 L CB -0.169 41.790 42.059 -0.168 0.000 0.932 167 L HN 0.522 nan 8.230 nan 0.000 0.447 168 E N 0.847 121.007 120.200 -0.067 0.000 2.031 168 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 168 E C 2.053 178.628 176.600 -0.042 0.000 0.994 168 E CA 1.314 57.681 56.400 -0.055 0.000 0.800 168 E CB -0.129 29.558 29.700 -0.021 0.000 0.752 168 E HN 0.416 nan 8.360 nan 0.000 0.447 169 G N -0.024 108.762 108.800 -0.024 0.000 2.813 169 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.209 169 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.209 169 G C -0.107 174.784 174.900 -0.015 0.000 1.150 169 G CA 0.174 45.265 45.100 -0.015 0.000 0.785 169 G HN 0.231 nan 8.290 nan 0.000 0.535 170 K N -0.987 119.398 120.400 -0.024 0.000 3.393 170 K HA -0.081 4.239 4.320 -0.000 0.000 0.272 170 K C -0.184 176.425 176.600 0.016 0.000 1.004 170 K CA 0.276 56.552 56.287 -0.018 0.000 0.764 170 K CB -1.780 30.700 32.500 -0.034 0.000 1.373 170 K HN 0.679 nan 8.250 nan 0.000 0.458 171 A N 0.997 123.840 122.820 0.038 0.000 2.540 171 A HA 0.584 4.904 4.320 -0.000 0.000 0.297 171 A C -0.928 176.722 177.584 0.111 0.000 1.056 171 A CA -0.871 51.210 52.037 0.074 0.000 0.700 171 A CB 0.785 19.811 19.000 0.044 0.000 1.280 171 A HN 0.301 nan 8.150 nan 0.000 0.398 172 F N 2.700 122.673 119.950 0.039 0.000 2.529 172 F HA 0.401 4.928 4.527 -0.000 0.000 0.365 172 F C 0.929 176.759 175.800 0.050 0.000 1.102 172 F CA 0.333 58.371 58.000 0.063 0.000 1.271 172 F CB 0.811 39.853 39.000 0.070 0.000 1.120 172 F HN 0.589 nan 8.300 nan 0.000 0.579 173 K N 5.250 125.146 120.400 -0.840 0.000 2.167 173 K HA 0.206 4.526 4.320 -0.000 0.000 0.214 173 K C -0.007 176.138 176.600 -0.758 0.000 1.024 173 K CA 0.699 56.650 56.287 -0.560 0.000 0.951 173 K CB -0.156 32.165 32.500 -0.299 0.000 0.907 173 K HN 0.816 nan 8.250 nan 0.000 0.459 174 R N -0.976 118.948 120.500 -0.960 0.000 2.741 174 R HA 0.383 4.722 4.340 -0.000 0.000 0.276 174 R C -1.025 175.099 176.300 -0.295 0.000 1.028 174 R CA -0.778 55.035 56.100 -0.477 0.000 0.865 174 R CB 0.452 30.639 30.300 -0.187 0.000 1.268 174 R HN -0.172 nan 8.270 nan 0.000 0.475 175 M N 2.225 121.834 119.600 0.015 0.000 2.209 175 M HA 0.401 4.881 4.480 -0.000 0.000 0.355 175 M C -0.570 175.666 176.300 -0.105 0.000 1.171 175 M CA -0.661 54.621 55.300 -0.029 0.000 1.069 175 M CB 0.850 33.480 32.600 0.050 0.000 1.622 175 M HN 0.511 nan 8.290 nan 0.000 0.459 176 L N 3.199 124.321 121.223 -0.168 0.000 2.289 176 L HA 0.343 4.683 4.340 -0.000 0.000 0.285 176 L C 0.092 176.906 176.870 -0.093 0.000 1.049 176 L CA -0.796 53.964 54.840 -0.133 0.000 0.804 176 L CB 0.948 42.906 42.059 -0.169 0.000 1.195 176 L HN 0.503 nan 8.230 nan 0.000 0.428 177 D N 2.889 123.250 120.400 -0.066 0.000 2.390 177 D HA 0.341 4.981 4.640 -0.000 0.000 0.249 177 D C -0.050 176.224 176.300 -0.043 0.000 1.144 177 D CA 0.173 54.137 54.000 -0.059 0.000 0.880 177 D CB 1.927 42.699 40.800 -0.047 0.000 1.182 177 D HN 0.268 nan 8.370 nan 0.000 0.451 178 V N 0.025 119.915 119.914 -0.039 0.000 3.141 178 V HA 0.720 4.840 4.120 -0.000 0.000 0.312 178 V C -2.728 173.356 176.094 -0.017 0.000 1.157 178 V CA -2.056 60.234 62.300 -0.017 0.000 1.041 178 V CB 1.582 33.429 31.823 0.040 0.000 1.071 178 V HN 0.246 nan 8.190 nan 0.000 0.441 179 P HA 0.285 nan 4.420 nan 0.000 0.293 179 P C -0.821 176.470 177.300 -0.016 0.000 1.298 179 P CA -0.312 62.810 63.100 0.036 0.000 0.757 179 P CB 0.230 32.027 31.700 0.162 0.000 1.262 180 D N 0.115 120.513 120.400 -0.004 0.000 2.545 180 D HA 0.144 4.784 4.640 -0.000 0.000 0.227 180 D C -0.387 175.819 176.300 -0.157 0.000 1.150 180 D CA 0.439 54.402 54.000 -0.063 0.000 1.046 180 D CB -0.733 40.105 40.800 0.064 0.000 1.098 180 D HN 0.207 nan 8.370 nan 0.000 0.502 181 c N 1.205 119.537 118.600 -0.448 0.000 3.154 181 c HA 0.641 5.211 4.570 -0.000 0.000 0.312 181 c C -0.769 172.828 174.090 -0.822 0.000 1.349 181 c CA -0.965 55.130 56.329 -0.389 0.000 1.518 181 c CB 1.211 43.714 42.510 -0.011 0.000 1.934 181 c HN 0.422 nan 8.230 nan 0.000 0.462 182 Y N -1.108 119.241 120.300 0.082 0.000 2.544 182 Y HA 0.604 5.154 4.550 -0.000 0.000 0.342 182 Y C -0.138 175.845 175.900 0.137 0.000 1.062 182 Y CA -0.291 57.708 58.100 -0.169 0.000 1.023 182 Y CB 0.828 39.321 38.460 0.055 0.000 1.308 182 Y HN 0.999 nan 8.280 nan 0.000 0.457 183 H N 0.287 119.308 119.070 -0.081 0.000 4.796 183 H HA -0.063 4.493 4.556 -0.000 0.000 0.258 183 H C -1.658 173.490 175.328 -0.300 0.000 0.528 183 H CA 0.274 56.247 56.048 -0.125 0.000 0.683 183 H CB -0.310 29.435 29.762 -0.028 0.000 0.880 183 H HN 0.649 nan 8.280 nan 0.000 0.305 184 I N 1.707 122.018 120.570 -0.432 0.000 2.534 184 I HA 0.265 4.435 4.170 -0.000 0.000 0.286 184 I C -0.950 174.871 176.117 -0.494 0.000 1.094 184 I CA -0.242 60.867 61.300 -0.319 0.000 1.055 184 I CB 1.008 38.887 38.000 -0.203 0.000 1.225 184 I HN 0.248 nan 8.210 nan 0.000 0.435 185 F N 6.880 126.900 119.950 0.117 0.000 2.443 185 F HA 0.472 4.999 4.527 -0.000 0.000 0.369 185 F C -2.476 173.363 175.800 0.065 0.000 1.090 185 F CA -2.672 55.134 58.000 -0.322 0.000 1.129 185 F CB 0.772 39.228 39.000 -0.907 0.000 1.367 185 F HN 0.142 nan 8.300 nan 0.000 0.465 186 P HA 0.244 nan 4.420 nan 0.000 0.278 186 P C 0.686 178.275 177.300 0.481 0.000 1.238 186 P CA -0.162 63.222 63.100 0.475 0.000 0.794 186 P CB 1.135 33.074 31.700 0.398 0.000 0.955 187 T N -1.543 113.261 114.554 0.417 0.000 3.004 187 T HA 0.655 5.005 4.350 -0.000 0.000 0.266 187 T C 0.330 175.165 174.700 0.226 0.000 0.986 187 T CA 0.003 62.303 62.100 0.332 0.000 0.902 187 T CB 0.134 69.213 68.868 0.351 0.000 1.118 187 T HN 0.526 nan 8.240 nan 0.000 0.522 188 A N 1.278 124.226 122.820 0.214 0.000 2.536 188 A HA 0.724 5.044 4.320 -0.000 0.000 0.293 188 A C -2.497 175.160 177.584 0.122 0.000 1.119 188 A CA -1.213 50.904 52.037 0.133 0.000 0.654 188 A CB 0.169 19.217 19.000 0.080 0.000 1.291 188 A HN -0.099 nan 8.150 nan 0.000 0.439 189 P HA -0.056 nan 4.420 nan 0.000 0.219 189 P C 0.057 177.295 177.300 -0.102 0.000 1.146 189 P CA 1.673 64.786 63.100 0.021 0.000 0.808 189 P CB 0.217 31.906 31.700 -0.019 0.000 0.779 190 D N -2.836 117.445 120.400 -0.199 0.000 2.469 190 D HA 0.118 4.758 4.640 -0.000 0.000 0.213 190 D C 0.023 176.152 176.300 -0.285 0.000 1.135 190 D CA 0.564 54.217 54.000 -0.578 0.000 0.834 190 D CB 0.600 41.157 40.800 -0.404 0.000 1.009 190 D HN 0.083 nan 8.370 nan 0.000 0.507 191 T N 0.671 115.259 114.554 0.057 0.000 2.912 191 T HA 0.602 4.952 4.350 -0.000 0.000 0.299 191 T C -0.748 174.105 174.700 0.255 0.000 1.052 191 T CA -0.743 61.380 62.100 0.039 0.000 0.996 191 T CB 1.685 70.543 68.868 -0.017 0.000 1.070 191 T HN 0.025 nan 8.240 nan 0.000 0.465 192 F N 0.221 120.175 119.950 0.007 0.000 2.693 192 F HA 0.857 5.384 4.527 -0.000 0.000 0.309 192 F C -2.277 173.451 175.800 -0.120 0.000 1.129 192 F CA -1.748 56.308 58.000 0.094 0.000 0.948 192 F CB 0.882 39.973 39.000 0.152 0.000 1.315 192 F HN 0.400 nan 8.300 nan 0.000 0.447 193 F N 2.071 122.207 119.950 0.311 0.000 2.507 193 F HA 0.844 5.371 4.527 -0.000 0.000 0.327 193 F C -0.000 176.048 175.800 0.415 0.000 1.068 193 F CA -0.906 57.238 58.000 0.239 0.000 0.965 193 F CB 2.256 41.355 39.000 0.164 0.000 1.192 193 F HN 0.414 nan 8.300 nan 0.000 0.476 194 M N 1.297 121.205 119.600 0.514 0.000 2.667 194 M HA 0.345 4.825 4.480 -0.000 0.000 0.286 194 M C -1.359 175.291 176.300 0.583 0.000 1.270 194 M CA -0.797 54.799 55.300 0.494 0.000 0.826 194 M CB 2.957 35.734 32.600 0.295 0.000 1.743 194 M HN 0.589 nan 8.290 nan 0.000 0.460 195 H N 0.544 119.932 119.070 0.531 0.000 2.481 195 H HA 0.495 5.051 4.556 -0.000 0.000 0.333 195 H C -1.675 173.896 175.328 0.407 0.000 1.066 195 H CA -0.605 55.726 56.048 0.472 0.000 1.209 195 H CB 1.289 31.317 29.762 0.443 0.000 1.445 195 H HN 0.802 nan 8.280 nan 0.000 0.488 196 c N 4.666 123.191 118.600 -0.125 0.000 2.351 196 c HA 0.246 4.816 4.570 -0.000 0.000 0.359 196 c C 2.170 176.180 174.090 -0.133 0.000 1.193 196 c CA -0.754 55.558 56.329 -0.028 0.000 2.270 196 c CB 1.051 43.637 42.510 0.126 0.000 2.369 196 c HN 0.974 nan 8.230 nan 0.000 0.553 197 R N 1.166 121.734 120.500 0.113 0.000 2.117 197 R HA -0.177 4.163 4.340 -0.000 0.000 0.243 197 R C 1.360 177.649 176.300 -0.018 0.000 1.143 197 R CA 2.480 58.644 56.100 0.107 0.000 0.968 197 R CB -0.251 30.161 30.300 0.186 0.000 0.863 197 R HN 0.939 nan 8.270 nan 0.000 0.444 198 D N -1.856 118.511 120.400 -0.055 0.000 2.349 198 D HA 0.045 4.685 4.640 -0.000 0.000 0.224 198 D C 1.053 177.214 176.300 -0.232 0.000 1.029 198 D CA 0.892 54.826 54.000 -0.109 0.000 0.879 198 D CB 0.232 40.976 40.800 -0.093 0.000 0.906 198 D HN 0.411 nan 8.370 nan 0.000 0.528 199 G N 0.036 108.660 108.800 -0.293 0.000 2.157 199 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.239 199 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.239 199 G C 0.341 175.031 174.900 -0.350 0.000 0.982 199 G CA 0.324 45.057 45.100 -0.611 0.000 0.650 199 G HN 0.773 nan 8.290 nan 0.000 0.527 200 S N -0.504 115.187 115.700 -0.016 0.000 2.669 200 S HA 0.823 5.293 4.470 -0.000 0.000 0.270 200 S C 0.308 175.205 174.600 0.496 0.000 1.225 200 S CA -0.879 57.495 58.200 0.289 0.000 0.991 200 S CB 1.936 65.300 63.200 0.273 0.000 0.987 200 S HN 0.578 nan 8.310 nan 0.000 0.552 201 L N 0.934 122.496 121.223 0.565 0.000 2.334 201 L HA 0.677 5.017 4.340 -0.000 0.000 0.275 201 L C 0.214 177.246 176.870 0.270 0.000 1.036 201 L CA -0.906 54.214 54.840 0.467 0.000 0.807 201 L CB 1.506 43.813 42.059 0.414 0.000 1.231 201 L HN 0.913 nan 8.230 nan 0.000 0.438 202 A N 3.169 126.063 122.820 0.123 0.000 2.304 202 A HA 0.440 4.760 4.320 -0.000 0.000 0.323 202 A C -0.553 176.908 177.584 -0.204 0.000 1.195 202 A CA -0.610 51.292 52.037 -0.224 0.000 0.826 202 A CB 0.971 19.713 19.000 -0.430 0.000 1.184 202 A HN 0.696 nan 8.150 nan 0.000 0.496 203 K N 2.469 122.642 120.400 -0.378 0.000 2.201 203 K HA 0.538 4.858 4.320 -0.000 0.000 0.278 203 K C -1.353 174.868 176.600 -0.631 0.000 1.027 203 K CA -0.271 55.549 56.287 -0.779 0.000 0.909 203 K CB 0.907 32.976 32.500 -0.718 0.000 1.062 203 K HN 0.411 nan 8.250 nan 0.000 0.465 204 V N 3.308 122.731 119.914 -0.818 0.000 2.409 204 V HA 0.536 4.656 4.120 -0.000 0.000 0.291 204 V C -0.548 175.185 176.094 -0.603 0.000 1.020 204 V CA -0.874 60.971 62.300 -0.757 0.000 0.848 204 V CB 1.158 32.252 31.823 -1.215 0.000 0.990 204 V HN 0.899 nan 8.190 nan 0.000 0.430 205 A N 5.989 128.632 122.820 -0.295 0.000 2.330 205 A HA 0.966 5.286 4.320 -0.000 0.000 0.313 205 A C -0.942 176.641 177.584 -0.002 0.000 1.124 205 A CA -0.445 51.498 52.037 -0.155 0.000 0.774 205 A CB 0.929 19.829 19.000 -0.167 0.000 1.198 205 A HN 1.044 nan 8.150 nan 0.000 0.465 206 F N 0.911 120.803 119.950 -0.095 0.000 2.578 206 F HA 0.864 5.391 4.527 -0.000 0.000 0.311 206 F C 0.245 176.034 175.800 -0.019 0.000 1.094 206 F CA -0.639 57.334 58.000 -0.046 0.000 0.923 206 F CB 1.135 40.133 39.000 -0.003 0.000 1.230 206 F HN 0.709 nan 8.300 nan 0.000 0.450 207 G N 0.781 109.596 108.800 0.023 0.000 2.795 207 G HA2 0.423 4.383 3.960 -0.000 0.000 0.267 207 G HA3 0.423 4.383 3.960 -0.000 0.000 0.267 207 G C 0.120 175.067 174.900 0.079 0.000 1.362 207 G CA -0.327 44.746 45.100 -0.044 0.000 1.048 207 G HN 0.747 nan 8.290 nan 0.000 0.547 208 T N -0.481 114.093 114.554 0.034 0.000 2.833 208 T HA 0.061 4.411 4.350 -0.000 0.000 0.269 208 T C 0.735 175.469 174.700 0.058 0.000 1.054 208 T CA 1.290 63.422 62.100 0.053 0.000 1.135 208 T CB -0.042 68.837 68.868 0.018 0.000 0.869 208 T HN 0.433 nan 8.240 nan 0.000 0.466 209 E N -0.949 119.279 120.200 0.047 0.000 2.369 209 E HA 0.520 4.870 4.350 -0.000 0.000 0.270 209 E C -0.158 176.465 176.600 0.037 0.000 0.909 209 E CA -0.433 55.988 56.400 0.034 0.000 0.775 209 E CB 2.323 32.034 29.700 0.018 0.000 1.270 209 E HN 0.323 nan 8.360 nan 0.000 0.445 210 G N 0.755 109.571 108.800 0.026 0.000 2.756 210 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.678 210 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.678 210 G C -0.267 174.647 174.900 0.024 0.000 1.349 210 G CA -0.540 44.572 45.100 0.020 0.000 0.847 210 G HN 0.559 nan 8.290 nan 0.000 0.548 211 T N 1.105 115.667 114.554 0.012 0.000 2.926 211 T HA 0.540 4.890 4.350 -0.000 0.000 0.307 211 T C -1.539 173.172 174.700 0.018 0.000 1.059 211 T CA -0.180 61.924 62.100 0.007 0.000 1.122 211 T CB 1.121 69.987 68.868 -0.003 0.000 0.972 211 T HN 0.713 nan 8.240 nan 0.000 0.545 212 P HA 0.299 nan 4.420 nan 0.000 0.274 212 P C -0.481 176.804 177.300 -0.025 0.000 1.237 212 P CA -0.445 62.667 63.100 0.020 0.000 0.793 212 P CB 0.485 32.184 31.700 -0.001 0.000 0.977 213 E N 1.084 121.258 120.200 -0.044 0.000 2.194 213 E HA 0.357 4.707 4.350 -0.000 0.000 0.284 213 E C -0.944 175.585 176.600 -0.118 0.000 1.035 213 E CA -0.138 56.223 56.400 -0.066 0.000 0.836 213 E CB -0.327 29.335 29.700 -0.062 0.000 1.070 213 E HN 0.270 nan 8.360 nan 0.000 0.401 214 I N 4.139 124.647 120.570 -0.104 0.000 2.406 214 I HA 0.333 4.503 4.170 -0.000 0.000 0.290 214 I C -0.572 175.478 176.117 -0.113 0.000 0.999 214 I CA -0.555 60.650 61.300 -0.158 0.000 1.124 214 I CB 2.205 40.124 38.000 -0.135 0.000 1.289 214 I HN 0.420 nan 8.210 nan 0.000 0.441 215 T N 3.971 118.421 114.554 -0.173 0.000 2.840 215 T HA 0.412 4.762 4.350 -0.000 0.000 0.287 215 T C -0.488 174.152 174.700 -0.100 0.000 0.991 215 T CA -0.657 61.402 62.100 -0.068 0.000 0.964 215 T CB 0.648 69.484 68.868 -0.054 0.000 0.954 215 T HN 0.365 nan 8.240 nan 0.000 0.438 216 H N 1.877 120.964 119.070 0.030 0.000 2.481 216 H HA 0.401 4.957 4.556 -0.000 0.000 0.339 216 H C 0.997 176.394 175.328 0.115 0.000 1.131 216 H CA -0.431 55.663 56.048 0.076 0.000 1.301 216 H CB 1.512 31.310 29.762 0.059 0.000 1.476 216 H HN 0.709 nan 8.280 nan 0.000 0.529 217 T N -0.009 114.724 114.554 0.298 0.000 2.771 217 T HA 0.075 4.424 4.350 -0.000 0.000 0.290 217 T C 0.556 175.407 174.700 0.251 0.000 1.005 217 T CA -1.076 61.210 62.100 0.310 0.000 0.944 217 T CB 0.831 69.992 68.868 0.488 0.000 1.147 217 T HN 0.439 nan 8.240 nan 0.000 0.534 218 E N 0.259 120.579 120.200 0.200 0.000 2.418 218 E HA 0.164 4.514 4.350 -0.000 0.000 0.261 218 E C -0.044 176.600 176.600 0.073 0.000 1.070 218 E CA -0.176 56.271 56.400 0.079 0.000 0.931 218 E CB 0.595 30.291 29.700 -0.007 0.000 0.954 218 E HN 0.460 nan 8.360 nan 0.000 0.439 219 V N 3.682 123.584 119.914 -0.020 0.000 2.599 219 V HA -0.129 3.990 4.120 -0.000 0.000 0.300 219 V C 0.840 176.837 176.094 -0.163 0.000 1.034 219 V CA 0.771 62.998 62.300 -0.121 0.000 1.115 219 V CB -0.513 31.189 31.823 -0.202 0.000 0.934 219 V HN 0.631 nan 8.190 nan 0.000 0.485 220 F N 3.458 123.194 119.950 -0.356 0.000 2.706 220 F HA 0.433 4.960 4.527 -0.000 0.000 0.313 220 F C 0.499 176.164 175.800 -0.226 0.000 1.096 220 F CA -0.453 57.298 58.000 -0.414 0.000 1.219 220 F CB -0.063 38.522 39.000 -0.692 0.000 1.051 220 F HN 0.649 nan 8.300 nan 0.000 0.568 221 H N -0.885 117.809 119.070 -0.626 0.000 2.996 221 H HA 0.512 5.068 4.556 -0.000 0.000 0.368 221 H C -3.414 171.706 175.328 -0.347 0.000 1.185 221 H CA -2.171 53.600 56.048 -0.462 0.000 1.160 221 H CB 1.393 30.730 29.762 -0.708 0.000 1.820 221 H HN -0.157 nan 8.280 nan 0.000 0.547 222 P HA 0.096 nan 4.420 nan 0.000 0.273 222 P C 0.389 177.597 177.300 -0.154 0.000 1.250 222 P CA -0.216 62.775 63.100 -0.182 0.000 0.793 222 P CB 1.635 33.252 31.700 -0.138 0.000 1.011 223 E N -0.073 120.032 120.200 -0.158 0.000 2.338 223 E HA -0.161 4.189 4.350 -0.000 0.000 0.197 223 E C 0.796 177.277 176.600 -0.198 0.000 1.007 223 E CA 1.156 57.493 56.400 -0.104 0.000 0.849 223 E CB -0.113 29.555 29.700 -0.054 0.000 0.774 223 E HN 0.547 nan 8.360 nan 0.000 0.506 224 D N 0.143 120.337 120.400 -0.344 0.000 2.402 224 D HA -0.045 4.595 4.640 -0.000 0.000 0.216 224 D C -0.043 175.621 176.300 -1.060 0.000 1.128 224 D CA -0.033 53.576 54.000 -0.650 0.000 0.833 224 D CB -0.079 40.571 40.800 -0.249 0.000 0.971 224 D HN 0.061 nan 8.370 nan 0.000 0.503 225 E N 0.500 120.219 120.200 -0.801 0.000 2.092 225 E HA 0.295 4.645 4.350 -0.000 0.000 0.271 225 E C -1.256 174.888 176.600 -0.760 0.000 0.919 225 E CA -0.713 55.295 56.400 -0.653 0.000 0.760 225 E CB 0.483 30.015 29.700 -0.280 0.000 1.106 225 E HN -0.158 nan 8.360 nan 0.000 0.408 226 F N 4.486 124.175 119.950 -0.436 0.000 2.404 226 F HA 0.324 4.851 4.527 -0.000 0.000 0.354 226 F C -0.309 175.133 175.800 -0.596 0.000 1.122 226 F CA -0.893 56.708 58.000 -0.665 0.000 1.080 226 F CB 0.670 38.950 39.000 -1.199 0.000 1.131 226 F HN 0.387 nan 8.300 nan 0.000 0.471 227 L N 5.096 126.096 121.223 -0.371 0.000 2.276 227 L HA 0.411 4.751 4.340 -0.000 0.000 0.286 227 L C 0.432 177.375 176.870 0.121 0.000 1.061 227 L CA -0.419 54.211 54.840 -0.350 0.000 0.807 227 L CB 0.574 41.939 42.059 -1.157 0.000 1.177 227 L HN 0.506 nan 8.230 nan 0.000 0.429 228 I N -0.141 120.681 120.570 0.420 0.000 3.194 228 I HA 0.141 4.311 4.170 -0.000 0.000 0.283 228 I C 0.917 177.243 176.117 0.347 0.000 1.199 228 I CA -0.124 61.429 61.300 0.422 0.000 1.328 228 I CB 0.449 38.667 38.000 0.364 0.000 1.404 228 I HN 0.506 nan 8.210 nan 0.000 0.618 229 N N 0.736 119.471 118.700 0.059 0.000 2.515 229 N HA -0.043 4.696 4.740 -0.000 0.000 0.185 229 N C -0.337 174.746 175.510 -0.711 0.000 1.109 229 N CA 0.832 53.632 53.050 -0.417 0.000 0.903 229 N CB -0.370 37.478 38.487 -1.065 0.000 0.969 229 N HN 0.648 nan 8.380 nan 0.000 0.450 230 H N -0.240 118.662 119.070 -0.279 0.000 2.336 230 H HA 0.267 4.823 4.556 -0.000 0.000 0.230 230 H C -2.232 172.966 175.328 -0.216 0.000 1.426 230 H CA -1.492 54.425 56.048 -0.219 0.000 1.359 230 H CB 0.809 30.433 29.762 -0.231 0.000 1.555 230 H HN 0.113 nan 8.280 nan 0.000 0.512 231 P HA 0.190 nan 4.420 nan 0.000 0.272 231 P C -0.232 176.954 177.300 -0.190 0.000 1.230 231 P CA -0.380 62.329 63.100 -0.652 0.000 0.788 231 P CB 1.305 31.949 31.700 -1.760 0.000 0.949 232 A N 1.987 124.738 122.820 -0.115 0.000 2.306 232 A HA 0.503 4.823 4.320 -0.000 0.000 0.314 232 A C -1.300 176.237 177.584 -0.078 0.000 1.164 232 A CA -0.327 51.756 52.037 0.077 0.000 0.822 232 A CB 0.203 19.301 19.000 0.163 0.000 1.130 232 A HN 0.586 nan 8.150 nan 0.000 0.496 233 Y N 2.016 122.201 120.300 -0.192 0.000 2.354 233 Y HA 0.516 5.066 4.550 -0.000 0.000 0.330 233 Y C -0.175 175.629 175.900 -0.160 0.000 1.011 233 Y CA -0.885 56.921 58.100 -0.490 0.000 1.099 233 Y CB 1.984 39.745 38.460 -1.164 0.000 1.179 233 Y HN 0.572 nan 8.280 nan 0.000 0.442 234 S N 5.964 121.354 115.700 -0.516 0.000 2.434 234 S HA 0.154 4.623 4.470 -0.000 0.000 0.318 234 S C 0.956 175.059 174.600 -0.828 0.000 1.062 234 S CA -0.370 57.597 58.200 -0.389 0.000 1.116 234 S CB 0.766 63.968 63.200 0.003 0.000 0.977 234 S HN 1.012 nan 8.310 nan 0.000 0.480 235 Q N 4.499 123.772 119.800 -0.880 0.000 2.096 235 Q HA -0.150 4.189 4.340 -0.000 0.000 0.204 235 Q C 1.622 177.470 176.000 -0.254 0.000 0.982 235 Q CA 1.658 57.060 55.803 -0.668 0.000 0.850 235 Q CB -0.038 28.595 28.738 -0.176 0.000 0.901 235 Q HN 0.738 nan 8.270 nan 0.000 0.422 236 K N -0.545 119.768 120.400 -0.146 0.000 2.097 236 K HA -0.110 4.210 4.320 -0.000 0.000 0.206 236 K C 1.802 178.366 176.600 -0.059 0.000 1.049 236 K CA 1.117 57.367 56.287 -0.062 0.000 0.933 236 K CB -0.032 32.449 32.500 -0.032 0.000 0.717 236 K HN 0.245 nan 8.250 nan 0.000 0.442 237 A N 0.149 122.920 122.820 -0.081 0.000 2.178 237 A HA 0.175 4.495 4.320 -0.000 0.000 0.211 237 A C 1.406 178.937 177.584 -0.088 0.000 1.157 237 A CA 0.765 52.778 52.037 -0.040 0.000 0.780 237 A CB -0.176 18.860 19.000 0.060 0.000 0.828 237 A HN 0.384 nan 8.150 nan 0.000 0.476 238 G N -0.655 108.057 108.800 -0.146 0.000 2.225 238 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.267 238 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.267 238 G C 0.253 175.084 174.900 -0.115 0.000 1.024 238 G CA 0.727 45.775 45.100 -0.088 0.000 0.784 238 G HN 0.741 nan 8.290 nan 0.000 0.507 239 R N -0.078 120.285 120.500 -0.230 0.000 2.255 239 R HA 0.681 5.021 4.340 -0.000 0.000 0.326 239 R C -0.215 175.909 176.300 -0.293 0.000 0.986 239 R CA -0.925 54.983 56.100 -0.319 0.000 0.847 239 R CB 0.590 30.568 30.300 -0.537 0.000 1.111 239 R HN 0.227 nan 8.270 nan 0.000 0.452 240 L N 5.788 126.835 121.223 -0.294 0.000 2.280 240 L HA 0.511 4.851 4.340 -0.000 0.000 0.287 240 L C -1.153 175.526 176.870 -0.319 0.000 1.023 240 L CA -0.948 53.666 54.840 -0.377 0.000 0.819 240 L CB 1.536 43.242 42.059 -0.588 0.000 1.212 240 L HN 0.455 nan 8.230 nan 0.000 0.420 241 V N 5.074 124.812 119.914 -0.292 0.000 2.334 241 V HA 0.314 4.433 4.120 -0.000 0.000 0.281 241 V C -0.827 175.238 176.094 -0.049 0.000 1.016 241 V CA -0.489 61.723 62.300 -0.147 0.000 0.832 241 V CB 1.615 33.352 31.823 -0.142 0.000 0.999 241 V HN 0.657 nan 8.190 nan 0.000 0.439 242 W N 8.557 129.826 121.300 -0.050 0.000 2.466 242 W HA 0.484 5.144 4.660 -0.000 0.000 0.303 242 W C -2.891 173.672 176.519 0.074 0.000 0.999 242 W CA -2.888 54.447 57.345 -0.016 0.000 1.437 242 W CB 2.053 31.476 29.460 -0.062 0.000 1.274 242 W HN 0.407 nan 8.180 nan 0.000 0.417 243 P HA 0.149 nan 4.420 nan 0.000 0.274 243 P C 0.303 177.787 177.300 0.306 0.000 1.231 243 P CA 0.518 63.792 63.100 0.290 0.000 0.790 243 P CB 1.161 32.996 31.700 0.224 0.000 0.951 244 T N -1.238 113.432 114.554 0.193 0.000 2.910 244 T HA 0.259 4.609 4.350 -0.000 0.000 0.279 244 T C 0.772 175.622 174.700 0.249 0.000 0.989 244 T CA -0.206 61.975 62.100 0.135 0.000 0.968 244 T CB 0.160 69.042 68.868 0.024 0.000 1.135 244 T HN 0.149 nan 8.240 nan 0.000 0.562 245 Y N 0.787 121.117 120.300 0.050 0.000 2.483 245 Y HA 0.021 4.571 4.550 -0.000 0.000 0.291 245 Y C 2.869 178.772 175.900 0.006 0.000 1.143 245 Y CA 1.334 59.449 58.100 0.025 0.000 1.289 245 Y CB -1.242 37.198 38.460 -0.033 0.000 0.983 245 Y HN 0.903 nan 8.280 nan 0.000 0.556 246 T N -5.149 109.495 114.554 0.151 0.000 3.069 246 T HA 0.419 4.769 4.350 -0.000 0.000 0.252 246 T C 1.688 176.433 174.700 0.074 0.000 1.053 246 T CA 0.511 62.658 62.100 0.079 0.000 0.964 246 T CB 0.158 69.044 68.868 0.029 0.000 1.005 246 T HN 0.336 nan 8.240 nan 0.000 0.532 247 G N 1.640 110.495 108.800 0.092 0.000 2.176 247 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.232 247 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.232 247 G C -0.037 174.886 174.900 0.038 0.000 0.986 247 G CA 0.071 45.219 45.100 0.081 0.000 0.643 247 G HN 0.839 nan 8.290 nan 0.000 0.522 248 K N 0.685 121.090 120.400 0.008 0.000 2.436 248 K HA 0.405 4.724 4.320 -0.000 0.000 0.275 248 K C 0.186 176.758 176.600 -0.046 0.000 0.999 248 K CA -0.042 56.212 56.287 -0.055 0.000 0.980 248 K CB 0.107 32.540 32.500 -0.111 0.000 0.919 248 K HN 0.140 nan 8.250 nan 0.000 0.484 249 I N 5.301 125.821 120.570 -0.083 0.000 2.410 249 I HA 0.159 4.329 4.170 -0.000 0.000 0.286 249 I C -0.127 175.946 176.117 -0.074 0.000 1.009 249 I CA -0.638 60.655 61.300 -0.011 0.000 1.111 249 I CB 1.167 39.179 38.000 0.021 0.000 1.262 249 I HN 0.654 nan 8.210 nan 0.000 0.443 250 H N 5.695 124.838 119.070 0.122 0.000 2.610 250 H HA 0.354 4.910 4.556 -0.000 0.000 0.336 250 H C -0.379 174.998 175.328 0.082 0.000 1.087 250 H CA 0.013 56.149 56.048 0.148 0.000 1.405 250 H CB 1.651 31.584 29.762 0.286 0.000 1.460 250 H HN 0.506 nan 8.280 nan 0.000 0.538 251 Q N 2.716 122.597 119.800 0.135 0.000 2.321 251 Q HA 0.407 4.747 4.340 -0.000 0.000 0.270 251 Q C -0.889 175.063 176.000 -0.080 0.000 1.032 251 Q CA -0.827 54.970 55.803 -0.010 0.000 0.784 251 Q CB 2.196 30.903 28.738 -0.051 0.000 1.264 251 Q HN 0.458 nan 8.270 nan 0.000 0.448 252 I N 1.442 121.876 120.570 -0.226 0.000 2.436 252 I HA 0.198 4.368 4.170 -0.000 0.000 0.289 252 I C -0.521 175.358 176.117 -0.396 0.000 1.010 252 I CA -0.568 60.480 61.300 -0.419 0.000 1.098 252 I CB 1.712 39.339 38.000 -0.622 0.000 1.266 252 I HN 0.407 nan 8.210 nan 0.000 0.434 253 D N 6.744 126.919 120.400 -0.375 0.000 2.313 253 D HA 0.305 4.945 4.640 -0.000 0.000 0.239 253 D C 0.105 176.183 176.300 -0.370 0.000 1.142 253 D CA -0.086 53.734 54.000 -0.300 0.000 0.847 253 D CB 1.315 41.991 40.800 -0.207 0.000 1.082 253 D HN 0.525 nan 8.370 nan 0.000 0.480 254 L N 3.050 124.065 121.223 -0.347 0.000 2.857 254 L HA 0.024 4.364 4.340 -0.000 0.000 0.249 254 L C 2.197 178.958 176.870 -0.182 0.000 1.172 254 L CA -0.133 54.453 54.840 -0.424 0.000 0.980 254 L CB 0.148 41.856 42.059 -0.586 0.000 1.299 254 L HN 0.333 nan 8.230 nan 0.000 0.535 255 S N -0.559 115.068 115.700 -0.123 0.000 2.440 255 S HA -0.174 4.295 4.470 -0.000 0.000 0.238 255 S C 1.914 176.502 174.600 -0.021 0.000 1.010 255 S CA 1.301 59.470 58.200 -0.051 0.000 0.972 255 S CB -0.367 62.802 63.200 -0.051 0.000 0.774 255 S HN 0.525 nan 8.310 nan 0.000 0.501 256 S N 0.078 115.757 115.700 -0.036 0.000 2.605 256 S HA 0.466 4.936 4.470 -0.000 0.000 0.217 256 S C 1.526 176.150 174.600 0.040 0.000 0.958 256 S CA 0.314 58.512 58.200 -0.003 0.000 0.919 256 S CB -0.610 62.579 63.200 -0.017 0.000 0.780 256 S HN 1.434 nan 8.310 nan 0.000 0.507 257 G N 0.713 109.558 108.800 0.076 0.000 2.166 257 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.260 257 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.260 257 G C -0.380 174.702 174.900 0.303 0.000 0.986 257 G CA 0.486 45.716 45.100 0.217 0.000 0.683 257 G HN 0.594 nan 8.290 nan 0.000 0.527 258 D N -0.355 120.134 120.400 0.148 0.000 2.732 258 D HA 0.608 5.248 4.640 -0.000 0.000 0.229 258 D C 0.144 176.381 176.300 -0.105 0.000 1.152 258 D CA 0.275 54.361 54.000 0.144 0.000 0.854 258 D CB 1.765 42.607 40.800 0.071 0.000 1.590 258 D HN 0.498 nan 8.370 nan 0.000 0.468 259 A N 2.083 124.816 122.820 -0.145 0.000 2.354 259 A HA 0.348 4.668 4.320 -0.000 0.000 0.281 259 A C -0.023 177.279 177.584 -0.470 0.000 1.174 259 A CA -0.091 51.652 52.037 -0.490 0.000 0.828 259 A CB 0.302 18.981 19.000 -0.536 0.000 1.099 259 A HN 0.323 nan 8.150 nan 0.000 0.516 260 K N 2.423 122.521 120.400 -0.503 0.000 2.358 260 K HA 0.419 4.739 4.320 -0.000 0.000 0.260 260 K C -1.499 174.818 176.600 -0.471 0.000 0.956 260 K CA -0.146 55.927 56.287 -0.356 0.000 0.834 260 K CB 1.498 33.885 32.500 -0.188 0.000 1.102 260 K HN 0.621 nan 8.250 nan 0.000 0.431 261 F N 3.066 122.946 119.950 -0.117 0.000 2.427 261 F HA 0.148 4.675 4.527 -0.000 0.000 0.352 261 F C 0.427 176.182 175.800 -0.074 0.000 1.100 261 F CA -0.719 57.209 58.000 -0.120 0.000 1.191 261 F CB 0.413 39.360 39.000 -0.088 0.000 1.128 261 F HN 0.132 nan 8.300 nan 0.000 0.533 262 L N 4.633 125.899 121.223 0.071 0.000 2.416 262 L HA 0.495 4.835 4.340 -0.000 0.000 0.262 262 L C -1.976 174.934 176.870 0.066 0.000 1.093 262 L CA -2.844 52.017 54.840 0.036 0.000 0.801 262 L CB -0.151 41.898 42.059 -0.017 0.000 1.191 262 L HN 0.356 nan 8.230 nan 0.000 0.459 263 P HA 0.163 nan 4.420 nan 0.000 0.264 263 P C -0.872 176.434 177.300 0.011 0.000 1.193 263 P CA -0.207 62.908 63.100 0.025 0.000 0.763 263 P CB 0.362 32.066 31.700 0.007 0.000 0.810 264 A N 3.074 125.891 122.820 -0.004 0.000 2.445 264 A HA 0.421 4.741 4.320 -0.000 0.000 0.242 264 A C -0.071 177.476 177.584 -0.063 0.000 1.075 264 A CA 0.030 52.028 52.037 -0.064 0.000 0.777 264 A CB 0.238 19.158 19.000 -0.134 0.000 1.013 264 A HN 0.419 nan 8.150 nan 0.000 0.493 265 V N 1.666 121.536 119.914 -0.074 0.000 3.007 265 V HA 0.406 4.526 4.120 -0.000 0.000 0.311 265 V C -0.797 175.259 176.094 -0.062 0.000 1.120 265 V CA -0.755 61.512 62.300 -0.054 0.000 0.980 265 V CB 2.242 34.044 31.823 -0.035 0.000 1.033 265 V HN 0.974 nan 8.190 nan 0.000 0.429 266 E N 1.892 122.059 120.200 -0.054 0.000 2.151 266 E HA 0.517 4.867 4.350 -0.000 0.000 0.275 266 E C 0.436 177.010 176.600 -0.044 0.000 0.936 266 E CA -0.235 56.136 56.400 -0.049 0.000 0.777 266 E CB 2.091 31.761 29.700 -0.049 0.000 1.108 266 E HN 0.736 nan 8.360 nan 0.000 0.401 267 A N 3.963 126.766 122.820 -0.028 0.000 2.072 267 A HA 0.103 4.423 4.320 -0.000 0.000 0.216 267 A C 0.858 178.411 177.584 -0.051 0.000 1.156 267 A CA 0.582 52.600 52.037 -0.031 0.000 0.701 267 A CB 0.158 19.160 19.000 0.004 0.000 0.816 267 A HN 0.498 nan 8.150 nan 0.000 0.458 268 L N 0.226 121.425 121.223 -0.040 0.000 2.334 268 L HA 0.381 4.721 4.340 -0.000 0.000 0.272 268 L C 0.741 177.560 176.870 -0.084 0.000 1.020 268 L CA -0.731 54.068 54.840 -0.069 0.000 0.812 268 L CB 1.898 43.953 42.059 -0.007 0.000 1.264 268 L HN 0.272 nan 8.230 nan 0.000 0.439 269 T N -2.523 111.954 114.554 -0.128 0.000 2.868 269 T HA 0.160 4.509 4.350 -0.000 0.000 0.292 269 T C 0.938 175.593 174.700 -0.075 0.000 1.028 269 T CA -0.602 61.433 62.100 -0.108 0.000 1.059 269 T CB 1.078 69.864 68.868 -0.136 0.000 0.991 269 T HN 0.650 nan 8.240 nan 0.000 0.531 270 E N 1.781 121.945 120.200 -0.059 0.000 2.132 270 E HA -0.265 4.085 4.350 -0.000 0.000 0.218 270 E C 2.367 178.946 176.600 -0.035 0.000 1.058 270 E CA 2.044 58.419 56.400 -0.041 0.000 0.882 270 E CB -1.049 28.626 29.700 -0.041 0.000 0.774 270 E HN 0.823 nan 8.360 nan 0.000 0.467 271 A N 0.653 123.443 122.820 -0.051 0.000 1.898 271 A HA -0.219 4.100 4.320 -0.000 0.000 0.216 271 A C 2.067 179.630 177.584 -0.035 0.000 1.181 271 A CA 1.634 53.645 52.037 -0.042 0.000 0.620 271 A CB -0.487 18.478 19.000 -0.058 0.000 0.819 271 A HN 0.254 nan 8.150 nan 0.000 0.442 272 E N -0.427 119.712 120.200 -0.101 0.000 2.038 272 E HA -0.224 4.126 4.350 -0.000 0.000 0.195 272 E C 2.336 179.008 176.600 0.120 0.000 1.000 272 E CA 1.348 57.674 56.400 -0.122 0.000 0.803 272 E CB -0.194 29.282 29.700 -0.373 0.000 0.750 272 E HN 0.504 nan 8.360 nan 0.000 0.448 273 R N 0.177 120.715 120.500 0.065 0.000 2.096 273 R HA -0.189 4.151 4.340 -0.000 0.000 0.240 273 R C 2.384 178.729 176.300 0.075 0.000 1.139 273 R CA 1.314 57.463 56.100 0.082 0.000 0.952 273 R CB -0.380 29.940 30.300 0.033 0.000 0.854 273 R HN 0.148 nan 8.270 nan 0.000 0.436 274 A N 0.846 123.696 122.820 0.051 0.000 1.933 274 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 274 A C 1.639 179.261 177.584 0.064 0.000 1.175 274 A CA 1.773 53.835 52.037 0.042 0.000 0.628 274 A CB -0.379 18.635 19.000 0.023 0.000 0.814 274 A HN 0.208 nan 8.150 nan 0.000 0.444 275 D N -1.429 119.037 120.400 0.109 0.000 2.352 275 D HA 0.235 4.875 4.640 -0.000 0.000 0.232 275 D C 1.207 177.596 176.300 0.148 0.000 1.055 275 D CA 1.091 55.181 54.000 0.151 0.000 0.891 275 D CB -0.320 40.619 40.800 0.231 0.000 0.897 275 D HN 0.584 nan 8.370 nan 0.000 0.529 276 G N -0.370 108.497 108.800 0.112 0.000 2.132 276 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.234 276 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.234 276 G C -0.142 174.734 174.900 -0.039 0.000 0.989 276 G CA -0.187 44.921 45.100 0.014 0.000 0.676 276 G HN 0.180 nan 8.290 nan 0.000 0.522 277 W N 0.588 121.861 121.300 -0.044 0.000 2.266 277 W HA 0.752 5.412 4.660 -0.000 0.000 0.317 277 W C 1.025 177.528 176.519 -0.026 0.000 1.310 277 W CA -0.133 57.184 57.345 -0.047 0.000 1.207 277 W CB 0.549 29.962 29.460 -0.078 0.000 1.199 277 W HN 0.194 nan 8.180 nan 0.000 0.544 278 R N 3.569 124.162 120.500 0.156 0.000 2.707 278 R HA 0.378 4.718 4.340 -0.000 0.000 0.272 278 R C -2.495 173.886 176.300 0.135 0.000 1.011 278 R CA -2.011 54.158 56.100 0.116 0.000 0.893 278 R CB 2.140 32.464 30.300 0.041 0.000 1.233 278 R HN 0.109 nan 8.270 nan 0.000 0.464 279 P HA 0.229 nan 4.420 nan 0.000 0.272 279 P C -0.616 176.756 177.300 0.120 0.000 1.230 279 P CA -0.110 63.079 63.100 0.147 0.000 0.788 279 P CB 0.988 32.782 31.700 0.156 0.000 0.949 280 G N -1.427 107.450 108.800 0.128 0.000 2.667 280 G HA2 0.604 4.564 3.960 -0.000 0.000 0.294 280 G HA3 0.604 4.564 3.960 -0.000 0.000 0.294 280 G C -0.711 174.266 174.900 0.128 0.000 1.467 280 G CA 0.034 45.201 45.100 0.111 0.000 0.852 280 G HN 0.821 nan 8.290 nan 0.000 0.521 281 G N -0.608 108.275 108.800 0.139 0.000 2.255 281 G HA2 0.052 4.012 3.960 -0.000 0.000 0.216 281 G HA3 0.052 4.012 3.960 -0.000 0.000 0.216 281 G C 0.325 175.374 174.900 0.247 0.000 1.307 281 G CA 0.438 45.642 45.100 0.174 0.000 1.162 281 G HN 1.174 nan 8.290 nan 0.000 0.494 282 W N 0.236 121.494 121.300 -0.069 0.000 4.059 282 W HA 0.319 4.979 4.660 -0.000 0.000 0.200 282 W C 0.564 176.823 176.519 -0.433 0.000 1.818 282 W CA 0.555 57.743 57.345 -0.262 0.000 2.501 282 W CB 0.182 29.501 29.460 -0.234 0.000 1.455 282 W HN 0.475 nan 8.180 nan 0.000 0.604 283 Q N 2.585 122.300 119.800 -0.142 0.000 2.641 283 Q HA -0.010 4.330 4.340 -0.000 0.000 0.225 283 Q C 0.962 177.012 176.000 0.083 0.000 1.309 283 Q CA 0.203 55.976 55.803 -0.050 0.000 0.935 283 Q CB 0.676 29.476 28.738 0.104 0.000 1.557 283 Q HN 0.392 nan 8.270 nan 0.000 0.563 284 Q N 0.076 119.927 119.800 0.085 0.000 2.297 284 Q HA -0.014 4.326 4.340 -0.000 0.000 0.204 284 Q C 0.444 176.542 176.000 0.164 0.000 0.962 284 Q CA 0.614 56.500 55.803 0.137 0.000 0.879 284 Q CB 0.572 29.398 28.738 0.146 0.000 0.947 284 Q HN 0.317 nan 8.270 nan 0.000 0.462 285 V N -0.548 119.467 119.914 0.167 0.000 2.789 285 V HA 0.776 4.896 4.120 -0.000 0.000 0.311 285 V C -1.724 174.505 176.094 0.225 0.000 1.073 285 V CA -0.647 61.771 62.300 0.196 0.000 0.921 285 V CB 1.887 33.808 31.823 0.163 0.000 1.009 285 V HN 0.080 nan 8.190 nan 0.000 0.426 286 A N 4.963 127.958 122.820 0.291 0.000 2.430 286 A HA 0.913 5.233 4.320 -0.000 0.000 0.300 286 A C -1.980 175.881 177.584 0.462 0.000 1.124 286 A CA -0.599 51.622 52.037 0.307 0.000 0.766 286 A CB 1.846 20.953 19.000 0.178 0.000 1.328 286 A HN 1.427 nan 8.150 nan 0.000 0.424 287 Y N 1.211 121.664 120.300 0.255 0.000 2.361 287 Y HA 0.427 4.977 4.550 -0.000 0.000 0.328 287 Y C -0.762 175.291 175.900 0.255 0.000 1.044 287 Y CA -0.532 57.729 58.100 0.268 0.000 1.085 287 Y CB 1.337 39.876 38.460 0.131 0.000 1.194 287 Y HN 0.823 nan 8.280 nan 0.000 0.438 288 H N 7.153 126.048 119.070 -0.291 0.000 2.594 288 H HA 0.289 4.845 4.556 -0.000 0.000 0.304 288 H C 0.828 175.739 175.328 -0.695 0.000 1.068 288 H CA 0.096 55.962 56.048 -0.305 0.000 1.308 288 H CB 1.230 30.989 29.762 -0.005 0.000 1.409 288 H HN 1.024 nan 8.280 nan 0.000 0.460 289 R N 3.670 123.787 120.500 -0.638 0.000 2.057 289 R HA -0.076 4.264 4.340 -0.000 0.000 0.229 289 R C 1.727 177.932 176.300 -0.157 0.000 1.136 289 R CA 1.419 57.311 56.100 -0.348 0.000 0.952 289 R CB -0.132 30.099 30.300 -0.114 0.000 0.848 289 R HN 0.612 nan 8.270 nan 0.000 0.430 290 A N 0.874 123.617 122.820 -0.129 0.000 1.969 290 A HA -0.030 4.289 4.320 -0.000 0.000 0.218 290 A C 2.090 179.759 177.584 0.140 0.000 1.169 290 A CA 0.907 52.976 52.037 0.053 0.000 0.635 290 A CB -0.263 18.794 19.000 0.095 0.000 0.810 290 A HN 0.363 nan 8.150 nan 0.000 0.445 291 L N -1.331 120.083 121.223 0.319 0.000 2.509 291 L HA 0.021 4.361 4.340 -0.000 0.000 0.222 291 L C 0.547 177.432 176.870 0.024 0.000 1.123 291 L CA 0.518 55.423 54.840 0.109 0.000 0.856 291 L CB -0.219 41.819 42.059 -0.034 0.000 0.985 291 L HN 0.415 nan 8.230 nan 0.000 0.456 292 D N 1.323 121.699 120.400 -0.040 0.000 2.689 292 D HA -0.208 4.432 4.640 -0.000 0.000 0.237 292 D C 0.085 176.375 176.300 -0.015 0.000 1.148 292 D CA 0.672 54.652 54.000 -0.032 0.000 0.656 292 D CB -0.312 40.543 40.800 0.091 0.000 1.050 292 D HN 0.280 nan 8.370 nan 0.000 0.426 293 R N 0.061 120.482 120.500 -0.132 0.000 2.637 293 R HA 0.729 5.069 4.340 -0.000 0.000 0.291 293 R C 0.043 176.312 176.300 -0.052 0.000 0.963 293 R CA -0.969 55.053 56.100 -0.130 0.000 0.901 293 R CB 1.499 31.640 30.300 -0.266 0.000 1.160 293 R HN 0.128 nan 8.270 nan 0.000 0.457 294 I N 2.410 122.926 120.570 -0.090 0.000 2.460 294 I HA 0.344 4.514 4.170 -0.000 0.000 0.298 294 I C -1.003 174.966 176.117 -0.245 0.000 0.989 294 I CA -0.809 60.529 61.300 0.063 0.000 1.173 294 I CB 1.167 39.235 38.000 0.113 0.000 1.338 294 I HN 0.419 nan 8.210 nan 0.000 0.456 295 Y N 6.045 126.410 120.300 0.108 0.000 2.350 295 Y HA 0.641 5.191 4.550 -0.000 0.000 0.338 295 Y C -0.645 175.314 175.900 0.099 0.000 0.961 295 Y CA -0.858 57.291 58.100 0.082 0.000 1.100 295 Y CB 1.828 40.352 38.460 0.108 0.000 1.179 295 Y HN 0.325 nan 8.280 nan 0.000 0.454 296 L N 3.846 125.181 121.223 0.188 0.000 2.410 296 L HA 0.582 4.922 4.340 -0.000 0.000 0.270 296 L C -1.455 175.524 176.870 0.182 0.000 0.983 296 L CA -0.627 54.317 54.840 0.174 0.000 0.822 296 L CB 1.664 43.800 42.059 0.128 0.000 1.285 296 L HN 0.639 nan 8.230 nan 0.000 0.409 297 L N 5.726 127.063 121.223 0.189 0.000 2.418 297 L HA 0.502 4.842 4.340 -0.000 0.000 0.274 297 L C -0.360 176.637 176.870 0.212 0.000 1.135 297 L CA -0.218 54.741 54.840 0.197 0.000 0.870 297 L CB 0.828 42.992 42.059 0.174 0.000 1.154 297 L HN 0.595 nan 8.230 nan 0.000 0.462 298 V N 0.122 120.203 119.914 0.279 0.000 3.078 298 V HA 0.774 4.894 4.120 -0.000 0.000 0.311 298 V C -1.069 175.268 176.094 0.405 0.000 1.138 298 V CA -0.696 61.798 62.300 0.325 0.000 1.007 298 V CB 2.457 34.495 31.823 0.359 0.000 1.045 298 V HN 0.681 nan 8.190 nan 0.000 0.432 299 D N 0.107 120.637 120.400 0.218 0.000 2.692 299 D HA 0.259 4.899 4.640 -0.000 0.000 0.290 299 D C -1.323 174.568 176.300 -0.681 0.000 1.281 299 D CA -0.497 53.398 54.000 -0.174 0.000 0.804 299 D CB 2.412 43.211 40.800 -0.001 0.000 1.331 299 D HN 0.797 nan 8.370 nan 0.000 0.432 300 Q N 0.871 119.963 119.800 -1.181 0.000 2.296 300 Q HA 0.408 4.748 4.340 -0.000 0.000 0.262 300 Q C -0.301 175.472 176.000 -0.378 0.000 0.981 300 Q CA 0.243 55.524 55.803 -0.871 0.000 0.905 300 Q CB 1.061 29.311 28.738 -0.814 0.000 1.186 300 Q HN 0.314 nan 8.270 nan 0.000 0.399 301 R N 0.407 120.766 120.500 -0.235 0.000 2.664 301 R HA 0.277 4.617 4.340 -0.000 0.000 0.260 301 R C -1.605 174.648 176.300 -0.079 0.000 1.062 301 R CA -0.988 55.040 56.100 -0.121 0.000 0.902 301 R CB 0.629 30.882 30.300 -0.078 0.000 1.258 301 R HN 0.478 nan 8.270 nan 0.000 0.465 302 D N 0.760 121.135 120.400 -0.041 0.000 2.378 302 D HA -0.082 4.558 4.640 -0.000 0.000 0.238 302 D C 0.939 177.212 176.300 -0.044 0.000 1.180 302 D CA 0.184 54.173 54.000 -0.019 0.000 0.895 302 D CB 1.090 41.910 40.800 0.035 0.000 1.192 302 D HN 0.687 nan 8.370 nan 0.000 0.438 303 E N 1.136 121.264 120.200 -0.120 0.000 2.347 303 E HA -0.128 4.222 4.350 -0.000 0.000 0.196 303 E C 0.513 176.860 176.600 -0.420 0.000 1.008 303 E CA 0.545 56.752 56.400 -0.322 0.000 0.852 303 E CB -0.167 29.234 29.700 -0.498 0.000 0.783 303 E HN 0.634 nan 8.360 nan 0.000 0.505 304 W N 0.901 122.274 121.300 0.121 0.000 3.015 304 W HA 0.311 4.971 4.660 -0.000 0.000 0.429 304 W C 0.303 176.902 176.519 0.133 0.000 0.976 304 W CA -0.994 56.468 57.345 0.196 0.000 2.086 304 W CB 0.862 30.407 29.460 0.142 0.000 1.125 304 W HN -0.173 nan 8.180 nan 0.000 0.721 305 R N 0.692 121.317 120.500 0.208 0.000 2.767 305 R HA 0.085 4.425 4.340 -0.000 0.000 0.377 305 R C 1.288 177.578 176.300 -0.016 0.000 1.151 305 R CA -0.037 56.097 56.100 0.058 0.000 1.046 305 R CB -0.991 29.334 30.300 0.042 0.000 1.404 305 R HN 0.489 nan 8.270 nan 0.000 0.580 306 H N -0.914 118.123 119.070 -0.056 0.000 2.555 306 H HA 0.154 4.710 4.556 -0.000 0.000 0.269 306 H C 0.248 175.572 175.328 -0.006 0.000 0.988 306 H CA 0.350 56.314 56.048 -0.139 0.000 1.178 306 H CB 0.387 29.858 29.762 -0.485 0.000 1.373 306 H HN 0.056 nan 8.280 nan 0.000 0.588 307 K N 1.487 121.771 120.400 -0.194 0.000 2.373 307 K HA 0.087 4.407 4.320 -0.000 0.000 0.202 307 K C 0.403 177.034 176.600 0.051 0.000 1.025 307 K CA 0.201 56.498 56.287 0.017 0.000 1.115 307 K CB 0.936 33.470 32.500 0.056 0.000 0.858 307 K HN 0.305 nan 8.250 nan 0.000 0.525 308 T N -0.910 113.653 114.554 0.015 0.000 2.828 308 T HA 0.478 4.828 4.350 -0.000 0.000 0.290 308 T C 0.568 175.300 174.700 0.053 0.000 1.019 308 T CA -0.937 61.179 62.100 0.027 0.000 1.031 308 T CB 1.467 70.341 68.868 0.010 0.000 1.001 308 T HN 0.100 nan 8.240 nan 0.000 0.531 309 A N 1.728 124.577 122.820 0.049 0.000 2.425 309 A HA 0.535 4.855 4.320 -0.000 0.000 0.242 309 A C 0.529 178.150 177.584 0.063 0.000 1.077 309 A CA -0.552 51.523 52.037 0.063 0.000 0.781 309 A CB -0.170 18.863 19.000 0.054 0.000 1.020 309 A HN 0.842 nan 8.150 nan 0.000 0.494 310 S N -0.423 115.327 115.700 0.083 0.000 2.536 310 S HA 0.496 4.966 4.470 -0.000 0.000 0.298 310 S C 0.590 175.233 174.600 0.072 0.000 1.083 310 S CA -0.699 57.564 58.200 0.106 0.000 0.995 310 S CB 1.709 65.005 63.200 0.159 0.000 1.058 310 S HN 0.644 nan 8.310 nan 0.000 0.488 311 R N 0.291 120.825 120.500 0.055 0.000 2.362 311 R HA 0.306 4.646 4.340 -0.000 0.000 0.227 311 R C -0.940 175.063 176.300 -0.496 0.000 0.905 311 R CA 0.382 56.346 56.100 -0.227 0.000 1.067 311 R CB 0.217 30.304 30.300 -0.355 0.000 1.078 311 R HN 0.416 nan 8.270 nan 0.000 0.516 312 F N -0.860 119.182 119.950 0.153 0.000 2.588 312 F HA 0.465 4.992 4.527 -0.000 0.000 0.314 312 F C -0.289 175.613 175.800 0.169 0.000 1.069 312 F CA -1.283 56.835 58.000 0.197 0.000 0.931 312 F CB 1.797 40.996 39.000 0.332 0.000 1.260 312 F HN -0.438 nan 8.300 nan 0.000 0.465 313 V N 2.813 122.921 119.914 0.324 0.000 2.531 313 V HA 0.579 4.699 4.120 -0.000 0.000 0.301 313 V C -0.767 175.365 176.094 0.062 0.000 1.034 313 V CA -0.941 61.491 62.300 0.219 0.000 0.865 313 V CB 1.951 33.930 31.823 0.260 0.000 0.995 313 V HN 0.645 nan 8.190 nan 0.000 0.424 314 V N 3.688 123.610 119.914 0.015 0.000 2.617 314 V HA 0.848 4.968 4.120 -0.000 0.000 0.298 314 V C -0.405 175.577 176.094 -0.186 0.000 1.048 314 V CA -0.542 61.677 62.300 -0.135 0.000 0.964 314 V CB 1.675 33.431 31.823 -0.111 0.000 1.004 314 V HN 0.498 nan 8.190 nan 0.000 0.466 315 V N 5.786 125.500 119.914 -0.333 0.000 2.540 315 V HA 0.698 4.818 4.120 -0.000 0.000 0.302 315 V C -0.207 175.687 176.094 -0.334 0.000 1.035 315 V CA -0.399 61.636 62.300 -0.441 0.000 0.873 315 V CB 1.232 32.735 31.823 -0.533 0.000 0.992 315 V HN 1.076 nan 8.190 nan 0.000 0.428 316 L N 0.497 121.538 121.223 -0.303 0.000 2.376 316 L HA 0.775 5.115 4.340 -0.000 0.000 0.258 316 L C -0.599 176.177 176.870 -0.157 0.000 1.013 316 L CA -0.737 53.989 54.840 -0.190 0.000 0.822 316 L CB 2.110 44.093 42.059 -0.126 0.000 1.388 316 L HN 0.481 nan 8.230 nan 0.000 0.413 317 D N 1.383 121.720 120.400 -0.105 0.000 2.358 317 D HA 0.258 4.898 4.640 -0.000 0.000 0.258 317 D C 0.958 177.247 176.300 -0.018 0.000 1.223 317 D CA 0.558 54.522 54.000 -0.061 0.000 0.886 317 D CB 2.176 42.946 40.800 -0.050 0.000 1.120 317 D HN 0.800 nan 8.370 nan 0.000 0.482 318 A N 5.119 127.961 122.820 0.035 0.000 1.972 318 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 318 A C 2.051 179.661 177.584 0.043 0.000 1.169 318 A CA 1.416 53.502 52.037 0.082 0.000 0.635 318 A CB -0.234 18.905 19.000 0.232 0.000 0.810 318 A HN 0.674 nan 8.150 nan 0.000 0.446 319 K N -0.739 119.682 120.400 0.035 0.000 2.062 319 K HA -0.104 4.216 4.320 -0.000 0.000 0.205 319 K C 1.908 178.509 176.600 0.001 0.000 1.051 319 K CA 1.804 58.102 56.287 0.018 0.000 0.941 319 K CB -0.100 32.410 32.500 0.018 0.000 0.719 319 K HN 0.608 nan 8.250 nan 0.000 0.440 320 T N -4.410 110.139 114.554 -0.008 0.000 2.990 320 T HA 0.235 4.585 4.350 -0.000 0.000 0.250 320 T C 1.304 175.989 174.700 -0.026 0.000 1.041 320 T CA 0.481 62.571 62.100 -0.017 0.000 1.010 320 T CB 0.689 69.544 68.868 -0.022 0.000 1.003 320 T HN 0.349 nan 8.240 nan 0.000 0.499 321 G N 1.581 110.363 108.800 -0.029 0.000 2.184 321 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.264 321 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.264 321 G C -0.129 174.738 174.900 -0.055 0.000 0.975 321 G CA 0.307 45.383 45.100 -0.040 0.000 0.642 321 G HN 0.851 nan 8.290 nan 0.000 0.536 322 E N 0.671 120.838 120.200 -0.055 0.000 2.417 322 E HA 0.229 4.579 4.350 -0.000 0.000 0.261 322 E C 0.899 177.446 176.600 -0.090 0.000 1.000 322 E CA -0.558 55.802 56.400 -0.067 0.000 0.919 322 E CB 0.259 29.924 29.700 -0.058 0.000 0.955 322 E HN 0.429 nan 8.360 nan 0.000 0.455 323 R N 4.522 124.961 120.500 -0.102 0.000 2.449 323 R HA 0.014 4.354 4.340 -0.000 0.000 0.296 323 R C 0.667 176.887 176.300 -0.133 0.000 1.047 323 R CA 0.067 56.089 56.100 -0.131 0.000 1.018 323 R CB 0.368 30.583 30.300 -0.141 0.000 0.962 323 R HN 0.674 nan 8.270 nan 0.000 0.428 324 L N 3.303 124.427 121.223 -0.165 0.000 2.357 324 L HA 0.380 4.719 4.340 -0.000 0.000 0.211 324 L C 0.533 177.298 176.870 -0.175 0.000 1.075 324 L CA 0.281 55.030 54.840 -0.151 0.000 0.830 324 L CB 0.294 42.260 42.059 -0.154 0.000 0.996 324 L HN 0.733 nan 8.230 nan 0.000 0.467 325 A N 0.039 122.695 122.820 -0.274 0.000 2.586 325 A HA 0.620 4.940 4.320 -0.000 0.000 0.291 325 A C -1.488 175.818 177.584 -0.464 0.000 1.062 325 A CA -0.551 51.267 52.037 -0.365 0.000 0.666 325 A CB 1.628 20.311 19.000 -0.528 0.000 1.281 325 A HN -0.049 nan 8.150 nan 0.000 0.421 326 K N 0.905 121.070 120.400 -0.391 0.000 2.565 326 K HA 0.666 4.986 4.320 -0.000 0.000 0.249 326 K C -2.035 174.529 176.600 -0.061 0.000 0.958 326 K CA -0.412 55.707 56.287 -0.280 0.000 0.806 326 K CB 0.912 33.309 32.500 -0.172 0.000 1.194 326 K HN 0.448 nan 8.250 nan 0.000 0.434 327 F N 1.945 121.976 119.950 0.134 0.000 2.443 327 F HA 0.333 4.859 4.527 -0.000 0.000 0.335 327 F C 0.334 176.227 175.800 0.155 0.000 1.104 327 F CA -1.056 57.012 58.000 0.114 0.000 1.013 327 F CB 1.726 40.758 39.000 0.054 0.000 1.136 327 F HN 0.497 nan 8.300 nan 0.000 0.470 328 E N 3.296 123.670 120.200 0.290 0.000 2.130 328 E HA 0.191 4.541 4.350 -0.000 0.000 0.284 328 E C 0.384 176.917 176.600 -0.112 0.000 1.018 328 E CA -0.391 55.982 56.400 -0.045 0.000 0.817 328 E CB 0.737 30.459 29.700 0.036 0.000 1.078 328 E HN 0.533 nan 8.360 nan 0.000 0.396 329 M N 2.555 122.014 119.600 -0.234 0.000 2.476 329 M HA 0.122 4.602 4.480 -0.000 0.000 0.262 329 M C 1.409 177.613 176.300 -0.161 0.000 1.111 329 M CA 1.118 56.329 55.300 -0.148 0.000 1.127 329 M CB -0.459 32.040 32.600 -0.169 0.000 1.376 329 M HN 0.866 nan 8.290 nan 0.000 0.465 330 G N 0.633 109.244 108.800 -0.314 0.000 2.159 330 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.256 330 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.256 330 G C -0.040 174.347 174.900 -0.856 0.000 0.977 330 G CA 0.546 45.354 45.100 -0.487 0.000 0.652 330 G HN 0.555 nan 8.290 nan 0.000 0.531 331 H N -0.999 117.906 119.070 -0.275 0.000 2.990 331 H HA 0.533 5.089 4.556 -0.000 0.000 0.343 331 H C -0.925 174.309 175.328 -0.156 0.000 1.270 331 H CA -0.976 54.907 56.048 -0.276 0.000 1.118 331 H CB 0.954 30.365 29.762 -0.584 0.000 1.861 331 H HN 0.049 nan 8.280 nan 0.000 0.544 332 E N 2.022 122.260 120.200 0.063 0.000 2.070 332 E HA 0.137 4.487 4.350 -0.000 0.000 0.282 332 E C -0.344 176.312 176.600 0.094 0.000 1.104 332 E CA -0.105 56.326 56.400 0.052 0.000 0.876 332 E CB 0.590 30.322 29.700 0.054 0.000 1.055 332 E HN 0.252 nan 8.360 nan 0.000 0.401 333 I N 3.077 123.697 120.570 0.084 0.000 2.354 333 I HA 0.125 4.295 4.170 -0.000 0.000 0.292 333 I C 1.087 177.270 176.117 0.109 0.000 0.989 333 I CA -0.388 60.981 61.300 0.115 0.000 1.188 333 I CB 1.287 39.351 38.000 0.106 0.000 1.342 333 I HN 0.350 nan 8.210 nan 0.000 0.457 334 D N 3.103 123.569 120.400 0.110 0.000 2.277 334 D HA 0.054 4.694 4.640 -0.000 0.000 0.209 334 D C 0.130 176.524 176.300 0.156 0.000 0.970 334 D CA 0.875 54.946 54.000 0.119 0.000 0.874 334 D CB 0.896 41.740 40.800 0.073 0.000 0.982 334 D HN 0.389 nan 8.370 nan 0.000 0.504 335 S N 0.055 115.843 115.700 0.147 0.000 2.541 335 S HA 0.592 5.062 4.470 -0.000 0.000 0.280 335 S C -0.226 174.468 174.600 0.157 0.000 1.112 335 S CA -0.794 57.502 58.200 0.161 0.000 0.925 335 S CB 2.447 65.751 63.200 0.175 0.000 1.067 335 S HN 0.154 nan 8.310 nan 0.000 0.479 336 I N 0.225 120.893 120.570 0.162 0.000 2.892 336 I HA 0.806 4.976 4.170 -0.000 0.000 0.306 336 I C -0.763 175.459 176.117 0.176 0.000 1.078 336 I CA -0.633 60.768 61.300 0.168 0.000 1.032 336 I CB 2.251 40.345 38.000 0.157 0.000 1.229 336 I HN 0.480 nan 8.210 nan 0.000 0.435 337 N N 1.572 120.388 118.700 0.194 0.000 3.020 337 N HA 0.701 5.441 4.740 -0.000 0.000 0.248 337 N C -1.712 173.900 175.510 0.171 0.000 1.480 337 N CA -0.328 52.839 53.050 0.195 0.000 0.874 337 N CB 2.663 41.279 38.487 0.216 0.000 1.433 337 N HN 0.760 nan 8.380 nan 0.000 0.530 338 V N -1.035 118.949 119.914 0.116 0.000 2.914 338 V HA 0.772 4.892 4.120 -0.000 0.000 0.314 338 V C 0.400 176.598 176.094 0.173 0.000 1.084 338 V CA -0.847 61.452 62.300 -0.001 0.000 0.963 338 V CB 1.073 32.752 31.823 -0.240 0.000 1.025 338 V HN 0.759 nan 8.190 nan 0.000 0.432 339 S N 2.308 118.088 115.700 0.134 0.000 2.584 339 S HA 0.278 4.748 4.470 -0.000 0.000 0.270 339 S C 0.274 174.950 174.600 0.127 0.000 1.346 339 S CA -0.364 57.948 58.200 0.187 0.000 1.018 339 S CB 0.935 64.227 63.200 0.153 0.000 0.899 339 S HN 0.834 nan 8.310 nan 0.000 0.542 340 Q N 1.228 121.060 119.800 0.053 0.000 2.189 340 Q HA 0.177 4.517 4.340 -0.000 0.000 0.221 340 Q C -0.298 175.688 176.000 -0.024 0.000 0.848 340 Q CA -0.164 55.563 55.803 -0.127 0.000 1.007 340 Q CB -0.066 28.579 28.738 -0.154 0.000 1.116 340 Q HN 0.875 nan 8.270 nan 0.000 0.481 341 D N -0.969 119.507 120.400 0.126 0.000 2.539 341 D HA 0.049 4.689 4.640 -0.000 0.000 0.280 341 D C 0.853 177.273 176.300 0.199 0.000 1.208 341 D CA -0.622 53.449 54.000 0.118 0.000 1.088 341 D CB 0.822 41.668 40.800 0.076 0.000 1.149 341 D HN -0.152 nan 8.370 nan 0.000 0.596 342 E N -0.706 119.559 120.200 0.108 0.000 2.047 342 E HA -0.094 4.256 4.350 -0.000 0.000 0.191 342 E C 0.173 176.791 176.600 0.030 0.000 0.987 342 E CA 0.891 57.342 56.400 0.084 0.000 0.799 342 E CB 0.191 29.919 29.700 0.046 0.000 0.752 342 E HN 0.248 nan 8.360 nan 0.000 0.449 343 K N 1.671 122.079 120.400 0.013 0.000 2.533 343 K HA 0.249 4.569 4.320 -0.000 0.000 0.207 343 K C -2.514 174.064 176.600 -0.035 0.000 1.052 343 K CA -1.662 54.609 56.287 -0.027 0.000 1.030 343 K CB 1.601 34.089 32.500 -0.019 0.000 1.522 343 K HN 0.115 nan 8.250 nan 0.000 0.543 344 P HA 0.036 nan 4.420 nan 0.000 0.270 344 P C -0.284 176.944 177.300 -0.121 0.000 1.223 344 P CA -0.175 62.900 63.100 -0.041 0.000 0.785 344 P CB 0.965 32.659 31.700 -0.011 0.000 0.923 345 L N 1.051 122.150 121.223 -0.208 0.000 2.379 345 L HA 0.372 4.712 4.340 -0.000 0.000 0.269 345 L C 0.517 177.088 176.870 -0.499 0.000 1.084 345 L CA -1.010 53.602 54.840 -0.380 0.000 0.802 345 L CB 0.645 42.353 42.059 -0.585 0.000 1.175 345 L HN 0.261 nan 8.230 nan 0.000 0.448 346 L N 2.546 123.534 121.223 -0.392 0.000 2.298 346 L HA 0.441 4.780 4.340 -0.000 0.000 0.284 346 L C -1.115 175.616 176.870 -0.230 0.000 1.013 346 L CA -0.010 54.656 54.840 -0.290 0.000 0.824 346 L CB 0.695 42.694 42.059 -0.100 0.000 1.221 346 L HN 0.202 nan 8.230 nan 0.000 0.418 347 Y N 3.969 124.291 120.300 0.037 0.000 2.323 347 Y HA 0.723 5.273 4.550 -0.000 0.000 0.331 347 Y C 0.370 176.325 175.900 0.091 0.000 1.092 347 Y CA -0.537 57.609 58.100 0.078 0.000 1.150 347 Y CB 1.864 40.352 38.460 0.047 0.000 1.200 347 Y HN 0.731 nan 8.280 nan 0.000 0.472 348 A N 4.208 127.213 122.820 0.309 0.000 2.457 348 A HA 0.575 4.895 4.320 -0.000 0.000 0.283 348 A C -1.850 175.890 177.584 0.259 0.000 1.166 348 A CA -0.563 51.617 52.037 0.239 0.000 0.740 348 A CB 0.442 19.551 19.000 0.182 0.000 1.181 348 A HN 0.648 nan 8.150 nan 0.000 0.446 349 L N 2.664 123.992 121.223 0.174 0.000 2.295 349 L HA 0.711 5.051 4.340 -0.000 0.000 0.285 349 L C 0.290 177.228 176.870 0.112 0.000 1.035 349 L CA 0.160 55.059 54.840 0.098 0.000 0.806 349 L CB 1.774 43.861 42.059 0.047 0.000 1.214 349 L HN 0.522 nan 8.230 nan 0.000 0.426 350 S N 2.598 118.357 115.700 0.099 0.000 2.420 350 S HA 0.298 4.767 4.470 -0.000 0.000 0.313 350 S C 0.978 175.581 174.600 0.005 0.000 1.079 350 S CA -0.262 57.999 58.200 0.101 0.000 1.104 350 S CB 0.759 64.091 63.200 0.221 0.000 0.969 350 S HN 0.861 nan 8.310 nan 0.000 0.471 351 T N 4.648 119.194 114.554 -0.012 0.000 2.746 351 T HA -0.032 4.317 4.350 -0.000 0.000 0.267 351 T C 2.010 176.701 174.700 -0.015 0.000 1.039 351 T CA 1.636 63.699 62.100 -0.061 0.000 1.142 351 T CB -0.692 68.117 68.868 -0.099 0.000 0.866 351 T HN 0.778 nan 8.240 nan 0.000 0.444 352 G N 1.409 110.220 108.800 0.018 0.000 2.408 352 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.217 352 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.217 352 G C 1.150 176.063 174.900 0.022 0.000 1.150 352 G CA 0.757 45.876 45.100 0.031 0.000 0.776 352 G HN 0.392 nan 8.290 nan 0.000 0.542 353 D N 0.342 120.757 120.400 0.026 0.000 2.349 353 D HA 0.088 4.728 4.640 -0.000 0.000 0.215 353 D C 0.725 176.980 176.300 -0.075 0.000 1.016 353 D CA 0.130 54.134 54.000 0.006 0.000 0.870 353 D CB 0.050 40.891 40.800 0.069 0.000 0.917 353 D HN 0.203 nan 8.370 nan 0.000 0.524 354 K N -0.181 120.162 120.400 -0.095 0.000 3.156 354 K HA -0.145 4.174 4.320 -0.000 0.000 0.266 354 K C -0.698 175.743 176.600 -0.265 0.000 0.966 354 K CA 0.641 56.823 56.287 -0.175 0.000 0.719 354 K CB -2.045 30.349 32.500 -0.176 0.000 1.333 354 K HN 0.040 nan 8.250 nan 0.000 0.468 355 T N 0.352 114.732 114.554 -0.291 0.000 2.921 355 T HA 0.478 4.828 4.350 -0.000 0.000 0.297 355 T C -1.119 173.263 174.700 -0.529 0.000 1.013 355 T CA -0.868 60.940 62.100 -0.488 0.000 0.990 355 T CB 1.530 69.988 68.868 -0.684 0.000 1.023 355 T HN 0.197 nan 8.240 nan 0.000 0.447 356 L N 4.233 125.168 121.223 -0.481 0.000 2.260 356 L HA 0.524 4.864 4.340 -0.000 0.000 0.289 356 L C -1.401 175.212 176.870 -0.429 0.000 1.057 356 L CA -0.315 54.333 54.840 -0.320 0.000 0.811 356 L CB -0.146 41.803 42.059 -0.183 0.000 1.184 356 L HN 0.569 nan 8.230 nan 0.000 0.429 357 Y N 5.591 125.902 120.300 0.019 0.000 2.313 357 Y HA 0.492 5.041 4.550 -0.000 0.000 0.332 357 Y C 0.120 176.120 175.900 0.167 0.000 1.071 357 Y CA -0.334 57.794 58.100 0.046 0.000 1.169 357 Y CB 0.957 39.497 38.460 0.132 0.000 1.192 357 Y HN 0.417 nan 8.280 nan 0.000 0.487 358 I N 4.570 125.239 120.570 0.165 0.000 2.355 358 I HA 0.272 4.442 4.170 -0.000 0.000 0.288 358 I C -0.305 175.782 176.117 -0.051 0.000 0.999 358 I CA -0.395 60.978 61.300 0.122 0.000 1.163 358 I CB 0.638 38.693 38.000 0.090 0.000 1.316 358 I HN 0.606 nan 8.210 nan 0.000 0.454 359 H N 3.344 122.366 119.070 -0.080 0.000 2.573 359 H HA 0.213 4.769 4.556 -0.000 0.000 0.351 359 H C -1.043 174.177 175.328 -0.178 0.000 1.163 359 H CA -0.844 55.133 56.048 -0.119 0.000 1.205 359 H CB 2.419 32.104 29.762 -0.128 0.000 1.605 359 H HN 0.495 nan 8.280 nan 0.000 0.525 360 D N 0.768 121.125 120.400 -0.072 0.000 2.371 360 D HA 0.122 4.762 4.640 -0.000 0.000 0.256 360 D C 0.867 177.098 176.300 -0.115 0.000 1.193 360 D CA -0.024 53.915 54.000 -0.101 0.000 0.881 360 D CB 0.950 41.688 40.800 -0.104 0.000 1.143 360 D HN 0.600 nan 8.370 nan 0.000 0.473 361 A N 3.776 126.558 122.820 -0.064 0.000 2.067 361 A HA -0.126 4.193 4.320 -0.000 0.000 0.219 361 A C 1.898 179.604 177.584 0.203 0.000 1.158 361 A CA 1.242 53.319 52.037 0.067 0.000 0.661 361 A CB -0.395 18.623 19.000 0.030 0.000 0.801 361 A HN 0.667 nan 8.150 nan 0.000 0.452 362 E N 0.529 120.778 120.200 0.082 0.000 2.051 362 E HA -0.105 4.245 4.350 -0.000 0.000 0.189 362 E C 2.155 178.851 176.600 0.160 0.000 0.979 362 E CA 1.798 58.279 56.400 0.135 0.000 0.803 362 E CB -0.176 29.552 29.700 0.047 0.000 0.761 362 E HN 0.603 nan 8.360 nan 0.000 0.451 363 S N -1.857 113.816 115.700 -0.046 0.000 2.503 363 S HA 0.270 4.740 4.470 -0.000 0.000 0.215 363 S C 1.704 175.999 174.600 -0.509 0.000 1.003 363 S CA 0.484 58.623 58.200 -0.102 0.000 0.910 363 S CB 0.460 63.610 63.200 -0.084 0.000 0.790 363 S HN 0.514 nan 8.310 nan 0.000 0.514 364 G N 1.443 109.625 108.800 -1.031 0.000 2.184 364 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.264 364 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.264 364 G C -0.127 174.530 174.900 -0.404 0.000 0.975 364 G CA 0.403 44.603 45.100 -1.499 0.000 0.642 364 G HN 0.798 nan 8.290 nan 0.000 0.536 365 E N 1.028 121.084 120.200 -0.241 0.000 2.376 365 E HA 0.295 4.645 4.350 -0.000 0.000 0.266 365 E C 0.419 176.917 176.600 -0.170 0.000 1.009 365 E CA -0.291 56.035 56.400 -0.124 0.000 0.902 365 E CB 0.256 29.887 29.700 -0.115 0.000 0.972 365 E HN 0.434 nan 8.360 nan 0.000 0.439 366 E N 4.444 124.463 120.200 -0.302 0.000 2.351 366 E HA -0.019 4.331 4.350 -0.000 0.000 0.266 366 E C 0.391 176.815 176.600 -0.293 0.000 1.031 366 E CA -0.089 55.931 56.400 -0.633 0.000 0.911 366 E CB 0.576 30.001 29.700 -0.459 0.000 0.986 366 E HN 0.645 nan 8.360 nan 0.000 0.446 367 L N 4.834 125.903 121.223 -0.256 0.000 2.316 367 L HA 0.205 4.545 4.340 -0.000 0.000 0.207 367 L C 1.047 177.863 176.870 -0.090 0.000 1.070 367 L CA 0.300 55.060 54.840 -0.134 0.000 0.820 367 L CB -0.085 41.911 42.059 -0.106 0.000 0.992 367 L HN 0.573 nan 8.230 nan 0.000 0.466 368 R N -0.814 119.636 120.500 -0.082 0.000 2.752 368 R HA 0.552 4.892 4.340 -0.000 0.000 0.277 368 R C -1.422 174.855 176.300 -0.039 0.000 1.024 368 R CA -0.541 55.530 56.100 -0.047 0.000 0.866 368 R CB 1.321 31.595 30.300 -0.043 0.000 1.278 368 R HN -0.060 nan 8.270 nan 0.000 0.473 369 S N -0.362 115.296 115.700 -0.069 0.000 2.607 369 S HA 0.720 5.190 4.470 -0.000 0.000 0.273 369 S C -1.141 173.343 174.600 -0.194 0.000 1.148 369 S CA -0.766 57.333 58.200 -0.169 0.000 0.833 369 S CB 2.223 65.263 63.200 -0.266 0.000 1.130 369 S HN 0.455 nan 8.310 nan 0.000 0.470 370 V N 3.182 122.932 119.914 -0.273 0.000 2.482 370 V HA 0.511 4.631 4.120 -0.000 0.000 0.295 370 V C -0.519 175.376 176.094 -0.332 0.000 1.026 370 V CA -0.767 61.385 62.300 -0.247 0.000 0.856 370 V CB 1.002 32.699 31.823 -0.210 0.000 1.001 370 V HN 1.036 nan 8.190 nan 0.000 0.424 371 N N 3.068 121.594 118.700 -0.289 0.000 2.538 371 N HA 0.329 5.069 4.740 -0.000 0.000 0.292 371 N C 0.079 175.407 175.510 -0.304 0.000 1.262 371 N CA -0.815 52.056 53.050 -0.298 0.000 0.976 371 N CB 0.298 38.654 38.487 -0.218 0.000 1.161 371 N HN 0.590 nan 8.380 nan 0.000 0.598 372 Q N -1.297 118.338 119.800 -0.274 0.000 2.468 372 Q HA -0.139 4.201 4.340 -0.000 0.000 0.289 372 Q C -0.769 174.965 176.000 -0.443 0.000 1.299 372 Q CA 0.336 55.978 55.803 -0.268 0.000 0.838 372 Q CB -1.928 26.702 28.738 -0.179 0.000 1.195 372 Q HN 0.490 nan 8.270 nan 0.000 0.456 373 L N 0.636 121.510 121.223 -0.581 0.000 2.648 373 L HA 0.349 4.689 4.340 -0.000 0.000 0.238 373 L C 1.321 177.833 176.870 -0.597 0.000 1.316 373 L CA 0.426 54.631 54.840 -1.059 0.000 1.241 373 L CB -0.604 40.914 42.059 -0.902 0.000 1.499 373 L HN 0.572 nan 8.230 nan 0.000 0.411 374 G N 0.185 108.800 108.800 -0.308 0.000 2.553 374 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.242 374 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.242 374 G C 0.409 175.066 174.900 -0.405 0.000 1.277 374 G CA -0.113 44.885 45.100 -0.170 0.000 0.910 374 G HN 0.478 nan 8.290 nan 0.000 0.576 375 H N 0.542 119.615 119.070 0.005 0.000 2.506 375 H HA 0.344 4.900 4.556 -0.000 0.000 0.289 375 H C 1.747 177.033 175.328 -0.070 0.000 1.009 375 H CA 1.309 57.360 56.048 0.005 0.000 1.303 375 H CB 0.955 30.748 29.762 0.052 0.000 1.453 375 H HN 1.222 nan 8.280 nan 0.000 0.526 376 G N 2.821 111.505 108.800 -0.193 0.000 3.846 376 G HA2 0.176 4.136 3.960 -0.000 0.000 0.281 376 G HA3 0.176 4.136 3.960 -0.000 0.000 0.281 376 G C -3.087 171.594 174.900 -0.364 0.000 1.384 376 G CA -0.754 44.054 45.100 -0.487 0.000 0.641 376 G HN -0.084 nan 8.290 nan 0.000 0.458 377 P HA 0.178 nan 4.420 nan 0.000 0.271 377 P C -0.209 176.989 177.300 -0.171 0.000 1.216 377 P CA 0.199 63.209 63.100 -0.150 0.000 0.776 377 P CB 2.302 33.924 31.700 -0.131 0.000 0.881 378 Q N 0.600 120.320 119.800 -0.133 0.000 2.237 378 Q HA 0.180 4.519 4.340 -0.000 0.000 0.254 378 Q C -0.292 175.770 176.000 0.103 0.000 0.771 378 Q CA 0.164 55.881 55.803 -0.143 0.000 0.958 378 Q CB 1.089 29.539 28.738 -0.480 0.000 1.202 378 Q HN 0.235 nan 8.270 nan 0.000 0.492 379 V N 2.021 122.007 119.914 0.121 0.000 2.448 379 V HA 0.457 4.577 4.120 -0.000 0.000 0.295 379 V C -0.642 175.521 176.094 0.115 0.000 1.025 379 V CA -0.523 61.890 62.300 0.189 0.000 0.859 379 V CB 1.809 33.764 31.823 0.221 0.000 0.988 379 V HN 0.142 nan 8.190 nan 0.000 0.431 380 I N 3.899 124.536 120.570 0.111 0.000 2.404 380 I HA 0.590 4.760 4.170 -0.000 0.000 0.293 380 I C -0.055 176.103 176.117 0.068 0.000 0.992 380 I CA -0.098 61.236 61.300 0.057 0.000 1.149 380 I CB 2.128 40.156 38.000 0.048 0.000 1.315 380 I HN 0.535 nan 8.210 nan 0.000 0.446 381 T N 3.091 117.683 114.554 0.064 0.000 2.893 381 T HA 0.621 4.971 4.350 -0.000 0.000 0.293 381 T C -0.239 174.532 174.700 0.118 0.000 1.027 381 T CA -0.738 61.401 62.100 0.065 0.000 0.988 381 T CB 1.943 70.804 68.868 -0.012 0.000 1.043 381 T HN 0.729 nan 8.240 nan 0.000 0.461 382 T N -0.893 113.725 114.554 0.106 0.000 2.901 382 T HA 0.843 5.193 4.350 -0.000 0.000 0.293 382 T C -0.596 174.165 174.700 0.101 0.000 1.084 382 T CA -1.051 61.129 62.100 0.134 0.000 1.008 382 T CB 1.750 70.703 68.868 0.141 0.000 1.170 382 T HN 0.767 nan 8.240 nan 0.000 0.509 383 A N 1.088 123.969 122.820 0.102 0.000 2.301 383 A HA 0.587 4.907 4.320 -0.000 0.000 0.312 383 A C -0.196 177.414 177.584 0.044 0.000 1.182 383 A CA -0.614 51.454 52.037 0.051 0.000 0.826 383 A CB 0.522 19.549 19.000 0.045 0.000 1.134 383 A HN 0.856 nan 8.150 nan 0.000 0.501 384 D N 3.173 123.588 120.400 0.024 0.000 2.479 384 D HA 0.322 4.962 4.640 -0.000 0.000 0.218 384 D C 0.663 176.965 176.300 0.003 0.000 1.131 384 D CA -0.074 53.928 54.000 0.004 0.000 0.916 384 D CB 0.354 41.149 40.800 -0.009 0.000 1.022 384 D HN 0.499 nan 8.370 nan 0.000 0.515 385 M N 1.330 120.937 119.600 0.011 0.000 2.541 385 M HA 0.247 4.727 4.480 -0.000 0.000 0.252 385 M C 1.033 177.340 176.300 0.011 0.000 1.125 385 M CA 0.142 55.451 55.300 0.014 0.000 1.091 385 M CB 0.567 33.182 32.600 0.024 0.000 1.420 385 M HN 0.420 nan 8.290 nan 0.000 0.486 386 G N 0.000 108.802 108.800 0.004 0.000 5.446 386 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 386 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 386 G CA 0.000 45.102 45.100 0.003 0.000 0.502 386 G HN 0.000 nan 8.290 nan 0.000 0.925