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 1p0v_1_A DATA FIRST_RESID 3 DATA SEQUENCE KEMPQPKTFG ELKNLPLLNT DKPVQALMKI ADELGEIFKF EAPGRVTRYL DATA SEQUENCE SSQRLIKEAC DESRFDKNLS QALKFVRDFA GDGLFTSWTH EKNWKKAHNI DATA SEQUENCE LLPSFSQQAM KGYHAMMVDI AVQLVQKWER LNADEHIEVP EDMTRLTLDT DATA SEQUENCE IGLCGFNYRF NSFYRDQPHP FITSMVRALD EAMNKLXXXX XXXXXXXXNK DATA SEQUENCE RQFQEDIKVM NDLVDKIIAD RKASGEQSDD LLTHMLNGKD PETGEPLDDE DATA SEQUENCE NIRYQIITFL IAGHETTSGL LSFALYFLVK NPHVLQKAAE EAARVLVDPV DATA SEQUENCE PSYKQVKQLK YVGMVLNEAL RLWPTAPAFS LYAKEDTVLG GEYPLEKGDE DATA SEQUENCE LMVLIPQLHR DKTIWGDDVE EFRPERFENP SAIPQHAFKP AGNGQRACIG DATA SEQUENCE QQFALHEATL VLGMMLKHFD FEDHTNYELD IKETLTLKPE GFVVKAKSKK DATA SEQUENCE IPL 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 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.665 176.600 0.108 0.000 0.988 3 K CA 0.000 56.237 56.287 -0.083 0.000 0.838 3 K CB 0.000 32.459 32.500 -0.069 0.000 1.064 4 E N 2.511 122.783 120.200 0.121 0.000 2.223 4 E HA 0.438 4.747 4.350 -0.069 0.000 0.282 4 E C -0.325 176.400 176.600 0.208 0.000 1.046 4 E CA -0.216 56.269 56.400 0.141 0.000 0.857 4 E CB 0.256 30.008 29.700 0.086 0.000 1.055 4 E HN 0.232 nan 8.360 nan 0.000 0.409 5 M N 3.723 123.444 119.600 0.202 0.000 2.200 5 M HA 0.298 4.736 4.480 -0.069 0.000 0.355 5 M C -2.166 174.196 176.300 0.104 0.000 1.283 5 M CA -1.450 53.928 55.300 0.130 0.000 1.124 5 M CB 1.025 33.652 32.600 0.046 0.000 1.625 5 M HN 0.347 nan 8.290 nan 0.000 0.463 6 P HA 0.134 nan 4.420 nan 0.000 0.272 6 P C -1.841 175.540 177.300 0.135 0.000 1.230 6 P CA -0.315 62.846 63.100 0.103 0.000 0.788 6 P CB 0.530 32.291 31.700 0.102 0.000 0.949 7 Q N 1.375 121.229 119.800 0.090 0.000 2.295 7 Q HA 0.385 4.684 4.340 -0.069 0.000 0.268 7 Q C -2.749 173.258 176.000 0.012 0.000 1.010 7 Q CA -1.778 54.084 55.803 0.099 0.000 0.856 7 Q CB 1.955 30.735 28.738 0.071 0.000 1.349 7 Q HN 0.245 nan 8.270 nan 0.000 0.412 8 P HA 0.094 nan 4.420 nan 0.000 0.277 8 P C -0.997 176.265 177.300 -0.063 0.000 1.276 8 P CA -0.449 62.608 63.100 -0.072 0.000 0.788 8 P CB 0.576 32.217 31.700 -0.098 0.000 1.114 9 K N 0.104 120.462 120.400 -0.069 0.000 2.524 9 K HA 0.095 4.374 4.320 -0.069 0.000 0.279 9 K C -0.091 176.409 176.600 -0.167 0.000 0.993 9 K CA 0.252 56.446 56.287 -0.155 0.000 1.030 9 K CB -0.142 32.239 32.500 -0.199 0.000 0.891 9 K HN 0.568 nan 8.250 nan 0.000 0.488 10 T N 0.957 115.347 114.554 -0.273 0.000 2.895 10 T HA 0.451 4.760 4.350 -0.069 0.000 0.283 10 T C -0.252 174.221 174.700 -0.378 0.000 1.014 10 T CA -0.798 61.197 62.100 -0.174 0.000 1.037 10 T CB 0.628 69.434 68.868 -0.103 0.000 1.006 10 T HN 0.364 nan 8.240 nan 0.000 0.468 11 F N 1.911 121.826 119.950 -0.059 0.000 2.532 11 F HA 0.561 5.046 4.527 -0.070 0.000 0.313 11 F C 1.594 177.375 175.800 -0.032 0.000 1.301 11 F CA -0.235 57.741 58.000 -0.039 0.000 1.154 11 F CB 0.035 39.015 39.000 -0.034 0.000 1.335 11 F HN 1.227 nan 8.300 nan 0.000 0.542 12 G N 0.987 109.813 108.800 0.042 0.000 2.596 12 G HA2 -0.431 3.487 3.960 -0.069 0.000 0.304 12 G HA3 -0.431 3.487 3.960 -0.069 0.000 0.304 12 G C 1.128 176.051 174.900 0.038 0.000 1.189 12 G CA 0.768 45.886 45.100 0.031 0.000 0.986 12 G HN 0.542 nan 8.290 nan 0.000 0.548 13 E N 0.119 120.343 120.200 0.040 0.000 2.482 13 E HA 0.484 4.792 4.350 -0.069 0.000 0.196 13 E C 2.561 179.184 176.600 0.038 0.000 1.047 13 E CA 1.462 57.882 56.400 0.032 0.000 0.869 13 E CB -0.154 29.561 29.700 0.026 0.000 0.836 13 E HN 0.763 nan 8.360 nan 0.000 0.520 14 L N -0.715 120.545 121.223 0.062 0.000 2.509 14 L HA 0.064 4.363 4.340 -0.069 0.000 0.222 14 L C 0.931 177.831 176.870 0.051 0.000 1.123 14 L CA 0.125 54.997 54.840 0.054 0.000 0.856 14 L CB -0.012 42.081 42.059 0.056 0.000 0.985 14 L HN 0.073 nan 8.230 nan 0.000 0.456 15 K N 0.108 120.542 120.400 0.057 0.000 1.882 15 K HA -0.337 3.942 4.320 -0.069 0.000 0.199 15 K C 0.526 177.137 176.600 0.018 0.000 1.562 15 K CA 2.066 58.358 56.287 0.008 0.000 0.515 15 K CB -1.235 31.243 32.500 -0.037 0.000 0.682 15 K HN 0.216 nan 8.250 nan 0.000 0.843 16 N N 1.198 119.785 118.700 -0.189 0.000 2.336 16 N HA 0.037 4.735 4.740 -0.069 0.000 0.189 16 N C 1.360 176.724 175.510 -0.243 0.000 1.113 16 N CA 0.167 53.017 53.050 -0.334 0.000 0.858 16 N CB 0.051 37.901 38.487 -1.062 0.000 0.970 16 N HN 0.268 nan 8.380 nan 0.000 0.471 17 L N 2.154 123.323 121.223 -0.091 0.000 1.997 17 L HA -0.110 4.189 4.340 -0.069 0.000 0.216 17 L C -0.922 175.937 176.870 -0.017 0.000 1.074 17 L CA 2.176 57.041 54.840 0.043 0.000 0.763 17 L CB -1.181 40.900 42.059 0.038 0.000 0.890 17 L HN 0.071 nan 8.230 nan 0.000 0.434 18 P HA -0.187 nan 4.420 nan 0.000 0.218 18 P C 2.062 179.174 177.300 -0.314 0.000 1.146 18 P CA 1.351 64.200 63.100 -0.418 0.000 0.813 18 P CB -0.132 30.942 31.700 -1.044 0.000 0.778 19 L N -1.772 119.361 121.223 -0.150 0.000 2.353 19 L HA -0.099 4.200 4.340 -0.069 0.000 0.220 19 L C 1.786 178.706 176.870 0.082 0.000 1.133 19 L CA 0.971 55.833 54.840 0.036 0.000 0.798 19 L CB -0.539 41.638 42.059 0.197 0.000 0.922 19 L HN 0.038 nan 8.230 nan 0.000 0.445 20 L N -0.204 121.087 121.223 0.114 0.000 2.769 20 L HA 0.087 4.386 4.340 -0.069 0.000 0.240 20 L C 0.836 177.723 176.870 0.028 0.000 1.163 20 L CA -0.062 54.828 54.840 0.082 0.000 0.962 20 L CB -0.329 41.805 42.059 0.124 0.000 1.258 20 L HN 0.400 nan 8.230 nan 0.000 0.513 21 N N 0.019 118.711 118.700 -0.013 0.000 3.178 21 N HA 0.042 4.740 4.740 -0.069 0.000 0.300 21 N C -0.169 175.324 175.510 -0.028 0.000 1.242 21 N CA 0.023 53.054 53.050 -0.032 0.000 1.192 21 N CB 0.487 38.933 38.487 -0.069 0.000 1.463 21 N HN -0.041 nan 8.380 nan 0.000 0.539 22 T N -0.331 114.215 114.554 -0.013 0.000 2.853 22 T HA 0.127 4.436 4.350 -0.069 0.000 0.311 22 T C -0.288 174.407 174.700 -0.008 0.000 1.307 22 T CA -0.549 61.544 62.100 -0.013 0.000 1.019 22 T CB 1.525 70.387 68.868 -0.010 0.000 1.264 22 T HN 0.241 nan 8.240 nan 0.000 0.497 23 D N 1.408 121.801 120.400 -0.011 0.000 2.264 23 D HA 0.085 4.684 4.640 -0.069 0.000 0.208 23 D C 0.354 176.649 176.300 -0.008 0.000 0.966 23 D CA 0.911 54.905 54.000 -0.010 0.000 0.864 23 D CB 0.210 41.001 40.800 -0.016 0.000 0.933 23 D HN 0.331 nan 8.370 nan 0.000 0.499 24 K N 0.596 120.990 120.400 -0.009 0.000 2.762 24 K HA 0.156 4.435 4.320 -0.069 0.000 0.180 24 K C -2.046 174.553 176.600 -0.002 0.000 1.067 24 K CA -1.138 55.144 56.287 -0.008 0.000 0.973 24 K CB 2.014 34.502 32.500 -0.020 0.000 1.290 24 K HN -0.033 nan 8.250 nan 0.000 0.604 25 P HA -0.119 nan 4.420 nan 0.000 0.217 25 P C 1.361 178.645 177.300 -0.025 0.000 1.151 25 P CA 0.773 63.865 63.100 -0.014 0.000 0.828 25 P CB 0.297 31.990 31.700 -0.011 0.000 0.788 26 V N 0.708 120.626 119.914 0.007 0.000 2.343 26 V HA -0.232 3.847 4.120 -0.069 0.000 0.247 26 V C 2.796 178.921 176.094 0.052 0.000 1.051 26 V CA 1.888 64.205 62.300 0.028 0.000 1.036 26 V CB -1.457 30.416 31.823 0.082 0.000 0.654 26 V HN 0.126 nan 8.190 nan 0.000 0.451 27 Q N -0.340 119.499 119.800 0.066 0.000 2.167 27 Q HA -0.094 4.205 4.340 -0.069 0.000 0.202 27 Q C 2.377 178.402 176.000 0.041 0.000 0.970 27 Q CA 1.517 57.373 55.803 0.087 0.000 0.855 27 Q CB -0.340 28.435 28.738 0.061 0.000 0.911 27 Q HN 0.692 nan 8.270 nan 0.000 0.438 28 A N 0.737 123.561 122.820 0.007 0.000 1.872 28 A HA -0.124 4.155 4.320 -0.069 0.000 0.214 28 A C 2.028 179.585 177.584 -0.044 0.000 1.187 28 A CA 0.903 52.932 52.037 -0.013 0.000 0.614 28 A CB -0.587 18.406 19.000 -0.012 0.000 0.826 28 A HN 0.276 nan 8.150 nan 0.000 0.442 29 L N -1.041 120.135 121.223 -0.077 0.000 2.079 29 L HA -0.229 4.069 4.340 -0.069 0.000 0.210 29 L C 2.821 179.679 176.870 -0.020 0.000 1.081 29 L CA 1.561 56.334 54.840 -0.112 0.000 0.752 29 L CB -0.495 41.401 42.059 -0.272 0.000 0.896 29 L HN 0.412 nan 8.230 nan 0.000 0.433 30 M N -0.123 119.486 119.600 0.015 0.000 2.159 30 M HA -0.220 4.218 4.480 -0.069 0.000 0.263 30 M C 2.831 179.143 176.300 0.020 0.000 1.063 30 M CA 2.272 57.597 55.300 0.043 0.000 1.110 30 M CB -0.499 32.145 32.600 0.074 0.000 1.374 30 M HN 0.263 nan 8.290 nan 0.000 0.411 31 K N 0.726 121.126 120.400 -0.001 0.000 2.097 31 K HA -0.047 4.232 4.320 -0.069 0.000 0.205 31 K C 1.508 178.060 176.600 -0.079 0.000 1.050 31 K CA 1.514 57.788 56.287 -0.020 0.000 0.938 31 K CB -1.290 31.202 32.500 -0.014 0.000 0.718 31 K HN 0.395 nan 8.250 nan 0.000 0.442 32 I N 0.717 121.193 120.570 -0.157 0.000 2.226 32 I HA -0.202 3.927 4.170 -0.069 0.000 0.245 32 I C 3.017 178.927 176.117 -0.345 0.000 1.100 32 I CA 1.118 62.203 61.300 -0.358 0.000 1.374 32 I CB -0.228 37.392 38.000 -0.634 0.000 1.057 32 I HN 0.383 nan 8.210 nan 0.000 0.413 33 A N 0.740 123.505 122.820 -0.092 0.000 1.940 33 A HA -0.311 3.968 4.320 -0.069 0.000 0.219 33 A C 2.159 179.774 177.584 0.051 0.000 1.176 33 A CA 2.443 54.566 52.037 0.145 0.000 0.631 33 A CB -1.592 17.550 19.000 0.237 0.000 0.814 33 A HN 0.509 nan 8.150 nan 0.000 0.446 34 D N -0.816 119.592 120.400 0.013 0.000 2.116 34 D HA -0.203 4.396 4.640 -0.069 0.000 0.193 34 D C 1.998 178.298 176.300 -0.001 0.000 0.998 34 D CA 2.189 56.196 54.000 0.011 0.000 0.836 34 D CB -0.669 40.133 40.800 0.003 0.000 0.951 34 D HN 0.542 nan 8.370 nan 0.000 0.449 35 E N -0.916 119.262 120.200 -0.036 0.000 2.112 35 E HA 0.065 4.373 4.350 -0.069 0.000 0.190 35 E C 2.191 178.771 176.600 -0.032 0.000 0.979 35 E CA 0.815 57.191 56.400 -0.041 0.000 0.814 35 E CB -0.198 29.457 29.700 -0.075 0.000 0.762 35 E HN 0.702 nan 8.360 nan 0.000 0.460 36 L N -1.080 120.115 121.223 -0.047 0.000 2.554 36 L HA 0.417 4.715 4.340 -0.069 0.000 0.225 36 L C 1.514 178.433 176.870 0.080 0.000 1.104 36 L CA 0.312 55.156 54.840 0.006 0.000 0.866 36 L CB 0.099 42.135 42.059 -0.039 0.000 1.047 36 L HN 0.514 nan 8.230 nan 0.000 0.468 37 G N 1.561 110.417 108.800 0.092 0.000 2.548 37 G HA2 -0.259 3.660 3.960 -0.069 0.000 0.208 37 G HA3 -0.259 3.660 3.960 -0.069 0.000 0.208 37 G C 0.479 175.459 174.900 0.134 0.000 1.308 37 G CA 0.063 45.224 45.100 0.102 0.000 0.924 37 G HN 0.407 nan 8.290 nan 0.000 0.540 38 E N -0.588 119.670 120.200 0.095 0.000 2.409 38 E HA 0.169 4.478 4.350 -0.069 0.000 0.198 38 E C 1.153 177.753 176.600 0.001 0.000 1.024 38 E CA 1.284 57.720 56.400 0.059 0.000 0.861 38 E CB 0.579 30.313 29.700 0.057 0.000 0.788 38 E HN 0.970 nan 8.360 nan 0.000 0.521 39 I N 0.376 120.945 120.570 -0.001 0.000 2.680 39 I HA 0.369 4.498 4.170 -0.069 0.000 0.291 39 I C -1.775 174.350 176.117 0.013 0.000 1.244 39 I CA -1.233 59.986 61.300 -0.136 0.000 1.042 39 I CB 1.346 39.117 38.000 -0.382 0.000 1.277 39 I HN 0.071 nan 8.210 nan 0.000 0.423 40 F N 4.084 124.018 119.950 -0.028 0.000 2.613 40 F HA 0.670 5.156 4.527 -0.069 0.000 0.310 40 F C -1.047 174.807 175.800 0.091 0.000 1.085 40 F CA -1.102 56.913 58.000 0.026 0.000 0.945 40 F CB 1.205 40.245 39.000 0.066 0.000 1.298 40 F HN 0.239 nan 8.300 nan 0.000 0.455 41 K N 2.225 122.795 120.400 0.284 0.000 2.205 41 K HA 0.602 4.881 4.320 -0.069 0.000 0.279 41 K C -2.053 174.797 176.600 0.417 0.000 1.027 41 K CA -0.400 56.021 56.287 0.222 0.000 0.932 41 K CB 0.746 33.323 32.500 0.128 0.000 1.032 41 K HN 0.694 nan 8.250 nan 0.000 0.466 42 F N 2.651 122.735 119.950 0.222 0.000 2.579 42 F HA 0.416 4.901 4.527 -0.070 0.000 0.325 42 F C -0.321 175.580 175.800 0.169 0.000 1.162 42 F CA -0.429 57.734 58.000 0.272 0.000 0.946 42 F CB 1.689 40.959 39.000 0.451 0.000 1.211 42 F HN 0.732 nan 8.300 nan 0.000 0.447 43 E N 4.022 124.112 120.200 -0.184 0.000 2.244 43 E HA 0.822 5.130 4.350 -0.069 0.000 0.266 43 E C -1.244 175.314 176.600 -0.070 0.000 0.914 43 E CA -1.315 55.063 56.400 -0.037 0.000 0.794 43 E CB 2.227 31.902 29.700 -0.041 0.000 1.210 43 E HN 0.621 nan 8.360 nan 0.000 0.414 44 A N 2.500 125.355 122.820 0.059 0.000 2.469 44 A HA 0.564 4.843 4.320 -0.069 0.000 0.299 44 A C -2.205 175.407 177.584 0.047 0.000 1.098 44 A CA -1.604 50.475 52.037 0.070 0.000 0.737 44 A CB 0.874 19.959 19.000 0.142 0.000 1.312 44 A HN 0.389 nan 8.150 nan 0.000 0.414 45 P HA -0.246 nan 4.420 nan 0.000 0.218 45 P C 1.054 178.372 177.300 0.029 0.000 1.132 45 P CA 2.835 65.954 63.100 0.031 0.000 0.968 45 P CB 0.210 31.930 31.700 0.033 0.000 0.783 46 G N -2.870 105.949 108.800 0.031 0.000 4.098 46 G HA2 0.525 4.443 3.960 -0.069 0.000 0.300 46 G HA3 0.525 4.443 3.960 -0.069 0.000 0.300 46 G C -0.041 174.875 174.900 0.027 0.000 1.187 46 G CA 0.101 45.215 45.100 0.024 0.000 0.964 46 G HN 0.494 nan 8.290 nan 0.000 0.559 47 R N -0.738 119.786 120.500 0.040 0.000 2.668 47 R HA 0.835 5.133 4.340 -0.069 0.000 0.272 47 R C -1.772 174.569 176.300 0.068 0.000 1.019 47 R CA -0.434 55.695 56.100 0.049 0.000 0.894 47 R CB 1.693 32.026 30.300 0.056 0.000 1.228 47 R HN 0.444 nan 8.270 nan 0.000 0.460 48 V N 1.530 121.480 119.914 0.062 0.000 2.709 48 V HA 0.880 4.958 4.120 -0.069 0.000 0.308 48 V C -0.355 175.774 176.094 0.058 0.000 1.062 48 V CA -0.556 61.788 62.300 0.073 0.000 0.901 48 V CB 2.327 34.179 31.823 0.047 0.000 1.003 48 V HN 1.136 nan 8.190 nan 0.000 0.425 49 T N 2.791 117.394 114.554 0.082 0.000 2.894 49 T HA 0.660 4.969 4.350 -0.069 0.000 0.309 49 T C -0.808 173.853 174.700 -0.067 0.000 1.208 49 T CA -0.981 61.089 62.100 -0.050 0.000 1.016 49 T CB 2.073 70.805 68.868 -0.227 0.000 1.192 49 T HN 0.560 nan 8.240 nan 0.000 0.491 50 R N 0.680 121.041 120.500 -0.232 0.000 2.360 50 R HA 0.469 4.767 4.340 -0.069 0.000 0.318 50 R C -1.388 174.621 176.300 -0.485 0.000 0.950 50 R CA -0.672 55.270 56.100 -0.263 0.000 0.837 50 R CB 1.043 31.212 30.300 -0.219 0.000 1.165 50 R HN 0.565 nan 8.270 nan 0.000 0.458 51 Y N 3.424 123.333 120.300 -0.652 0.000 2.365 51 Y HA 0.246 4.756 4.550 -0.066 0.000 0.340 51 Y C 0.259 175.802 175.900 -0.596 0.000 1.016 51 Y CA -0.358 57.301 58.100 -0.735 0.000 1.196 51 Y CB 0.856 38.623 38.460 -1.155 0.000 1.167 51 Y HN 0.273 nan 8.280 nan 0.000 0.509 52 L N 2.768 123.803 121.223 -0.315 0.000 2.295 52 L HA 0.376 4.674 4.340 -0.069 0.000 0.285 52 L C 0.563 177.347 176.870 -0.143 0.000 1.035 52 L CA -0.203 54.496 54.840 -0.235 0.000 0.806 52 L CB 1.526 43.423 42.059 -0.269 0.000 1.214 52 L HN 0.658 nan 8.230 nan 0.000 0.426 53 S N -0.310 115.349 115.700 -0.068 0.000 2.589 53 S HA 0.070 4.499 4.470 -0.069 0.000 0.235 53 S C 0.470 175.081 174.600 0.018 0.000 1.051 53 S CA -0.296 57.898 58.200 -0.010 0.000 0.978 53 S CB 0.683 63.912 63.200 0.048 0.000 0.929 53 S HN 0.781 nan 8.310 nan 0.000 0.523 54 S N 1.014 116.723 115.700 0.015 0.000 2.565 54 S HA 0.412 4.841 4.470 -0.069 0.000 0.290 54 S C 0.709 175.339 174.600 0.050 0.000 1.150 54 S CA -0.579 57.649 58.200 0.048 0.000 1.058 54 S CB 1.497 64.725 63.200 0.048 0.000 1.032 54 S HN 0.111 nan 8.310 nan 0.000 0.510 55 Q N 1.613 121.463 119.800 0.084 0.000 2.135 55 Q HA -0.202 4.097 4.340 -0.069 0.000 0.204 55 Q C 2.093 178.129 176.000 0.061 0.000 0.981 55 Q CA 1.536 57.394 55.803 0.091 0.000 0.856 55 Q CB -0.319 28.479 28.738 0.099 0.000 0.902 55 Q HN 0.890 nan 8.270 nan 0.000 0.425 56 R N -0.058 120.471 120.500 0.048 0.000 2.096 56 R HA -0.160 4.139 4.340 -0.069 0.000 0.240 56 R C 2.428 178.746 176.300 0.030 0.000 1.139 56 R CA 1.703 57.827 56.100 0.041 0.000 0.952 56 R CB -0.265 30.061 30.300 0.044 0.000 0.854 56 R HN 0.337 nan 8.270 nan 0.000 0.436 57 L N -0.123 121.108 121.223 0.013 0.000 2.162 57 L HA -0.027 4.271 4.340 -0.069 0.000 0.205 57 L C 2.410 179.228 176.870 -0.087 0.000 1.086 57 L CA 0.537 55.364 54.840 -0.023 0.000 0.778 57 L CB -0.200 41.839 42.059 -0.034 0.000 0.928 57 L HN 0.201 nan 8.230 nan 0.000 0.446 58 I N 0.417 120.939 120.570 -0.079 0.000 2.394 58 I HA -0.284 3.845 4.170 -0.069 0.000 0.251 58 I C 2.928 178.972 176.117 -0.121 0.000 1.136 58 I CA 1.326 62.556 61.300 -0.118 0.000 1.425 58 I CB -0.319 37.642 38.000 -0.065 0.000 1.079 58 I HN 0.237 nan 8.210 nan 0.000 0.425 59 K N 0.434 120.806 120.400 -0.047 0.000 2.097 59 K HA -0.125 4.154 4.320 -0.069 0.000 0.206 59 K C 1.569 178.094 176.600 -0.125 0.000 1.049 59 K CA 1.417 57.662 56.287 -0.071 0.000 0.933 59 K CB -0.869 31.713 32.500 0.137 0.000 0.717 59 K HN 0.519 nan 8.250 nan 0.000 0.442 60 E N 0.321 120.486 120.200 -0.060 0.000 2.107 60 E HA 0.042 4.350 4.350 -0.069 0.000 0.191 60 E C 2.294 178.869 176.600 -0.043 0.000 0.982 60 E CA 0.988 57.387 56.400 -0.002 0.000 0.809 60 E CB -0.287 29.438 29.700 0.041 0.000 0.756 60 E HN 0.652 nan 8.360 nan 0.000 0.459 61 A N 0.525 123.175 122.820 -0.284 0.000 2.019 61 A HA -0.157 4.121 4.320 -0.069 0.000 0.219 61 A C 2.146 179.579 177.584 -0.251 0.000 1.164 61 A CA 0.861 52.539 52.037 -0.598 0.000 0.644 61 A CB -0.456 18.193 19.000 -0.585 0.000 0.805 61 A HN 0.332 nan 8.150 nan 0.000 0.449 62 C N 0.545 119.717 119.300 -0.214 0.000 2.576 62 C HA 0.107 4.525 4.460 -0.069 0.000 0.267 62 C C 0.750 175.674 174.990 -0.110 0.000 1.364 62 C CA -0.555 58.333 59.018 -0.218 0.000 1.723 62 C CB -1.495 25.884 27.740 -0.601 0.000 1.778 62 C HN 0.535 nan 8.230 nan 0.000 0.572 63 D N 1.443 121.851 120.400 0.014 0.000 2.352 63 D HA 0.036 4.634 4.640 -0.069 0.000 0.245 63 D C 0.943 177.293 176.300 0.085 0.000 1.224 63 D CA 0.243 54.286 54.000 0.072 0.000 0.879 63 D CB 0.447 41.309 40.800 0.103 0.000 1.057 63 D HN 0.453 nan 8.370 nan 0.000 0.491 64 E N 1.307 121.530 120.200 0.039 0.000 2.409 64 E HA -0.121 4.188 4.350 -0.069 0.000 0.198 64 E C 1.668 178.243 176.600 -0.043 0.000 1.024 64 E CA 0.519 56.919 56.400 0.001 0.000 0.861 64 E CB 0.203 29.906 29.700 0.006 0.000 0.788 64 E HN 0.514 nan 8.360 nan 0.000 0.521 65 S N 0.269 115.945 115.700 -0.041 0.000 2.489 65 S HA 0.001 4.430 4.470 -0.069 0.000 0.228 65 S C 1.801 176.306 174.600 -0.159 0.000 0.995 65 S CA 0.257 58.411 58.200 -0.077 0.000 0.934 65 S CB 0.161 63.332 63.200 -0.048 0.000 0.771 65 S HN 0.149 nan 8.310 nan 0.000 0.522 66 R N -0.827 119.546 120.500 -0.212 0.000 2.221 66 R HA 0.424 4.722 4.340 -0.069 0.000 0.195 66 R C -0.717 175.065 176.300 -0.863 0.000 0.956 66 R CA 0.324 56.112 56.100 -0.520 0.000 1.064 66 R CB 0.365 30.346 30.300 -0.532 0.000 1.049 66 R HN 0.392 nan 8.270 nan 0.000 0.534 67 F N -0.264 119.572 119.950 -0.190 0.000 2.588 67 F HA 0.369 4.856 4.527 -0.067 0.000 0.310 67 F C -0.415 175.182 175.800 -0.340 0.000 1.082 67 F CA -1.337 56.489 58.000 -0.291 0.000 0.929 67 F CB 1.901 40.772 39.000 -0.215 0.000 1.254 67 F HN -0.244 nan 8.300 nan 0.000 0.455 68 D N 0.705 120.864 120.400 -0.401 0.000 2.531 68 D HA 0.256 4.855 4.640 -0.069 0.000 0.244 68 D C -1.191 175.000 176.300 -0.180 0.000 1.090 68 D CA -0.883 52.922 54.000 -0.324 0.000 0.989 68 D CB 1.958 42.529 40.800 -0.381 0.000 1.433 68 D HN 0.490 nan 8.370 nan 0.000 0.492 69 K N 1.385 121.766 120.400 -0.033 0.000 2.484 69 K HA 0.085 4.364 4.320 -0.069 0.000 0.280 69 K C -0.463 176.275 176.600 0.229 0.000 1.013 69 K CA -0.093 56.215 56.287 0.035 0.000 1.029 69 K CB 0.216 32.657 32.500 -0.098 0.000 0.902 69 K HN 0.340 nan 8.250 nan 0.000 0.481 70 N N 3.807 122.618 118.700 0.185 0.000 2.443 70 N HA 0.212 4.911 4.740 -0.069 0.000 0.295 70 N C -1.165 174.208 175.510 -0.228 0.000 1.076 70 N CA -0.597 52.572 53.050 0.199 0.000 0.919 70 N CB 0.805 39.428 38.487 0.225 0.000 1.176 70 N HN 0.505 nan 8.380 nan 0.000 0.487 71 L N 2.670 123.516 121.223 -0.630 0.000 2.385 71 L HA 0.231 4.529 4.340 -0.069 0.000 0.285 71 L C 0.817 177.465 176.870 -0.371 0.000 1.125 71 L CA -0.563 53.848 54.840 -0.715 0.000 0.890 71 L CB -0.153 41.207 42.059 -1.164 0.000 1.251 71 L HN 0.644 nan 8.230 nan 0.000 0.445 72 S N 1.452 116.979 115.700 -0.288 0.000 2.606 72 S HA -0.022 4.406 4.470 -0.069 0.000 0.257 72 S C 0.881 175.338 174.600 -0.238 0.000 1.327 72 S CA -0.339 57.740 58.200 -0.202 0.000 0.984 72 S CB 1.146 64.244 63.200 -0.171 0.000 0.941 72 S HN 0.618 nan 8.310 nan 0.000 0.576 73 Q N 0.824 120.497 119.800 -0.212 0.000 2.124 73 Q HA 0.002 4.300 4.340 -0.069 0.000 0.202 73 Q C 2.186 177.969 176.000 -0.362 0.000 0.977 73 Q CA 2.099 57.696 55.803 -0.343 0.000 0.850 73 Q CB -1.096 27.477 28.738 -0.276 0.000 0.901 73 Q HN 0.889 nan 8.270 nan 0.000 0.429 74 A N -0.146 122.586 122.820 -0.147 0.000 1.877 74 A HA -0.149 4.130 4.320 -0.069 0.000 0.216 74 A C 1.851 179.384 177.584 -0.085 0.000 1.186 74 A CA 1.434 53.461 52.037 -0.017 0.000 0.620 74 A CB -0.713 18.302 19.000 0.025 0.000 0.822 74 A HN 0.422 nan 8.150 nan 0.000 0.443 75 L N -0.119 120.975 121.223 -0.215 0.000 2.131 75 L HA -0.122 4.176 4.340 -0.069 0.000 0.210 75 L C 2.298 178.988 176.870 -0.299 0.000 1.092 75 L CA 1.855 56.506 54.840 -0.315 0.000 0.759 75 L CB -0.824 40.956 42.059 -0.465 0.000 0.903 75 L HN 0.387 nan 8.230 nan 0.000 0.435 76 K N -1.623 118.584 120.400 -0.322 0.000 2.097 76 K HA -0.149 4.129 4.320 -0.069 0.000 0.205 76 K C 2.037 178.536 176.600 -0.168 0.000 1.050 76 K CA 1.151 57.259 56.287 -0.298 0.000 0.938 76 K CB -0.219 32.058 32.500 -0.372 0.000 0.718 76 K HN 0.096 nan 8.250 nan 0.000 0.442 77 F N 0.596 120.496 119.950 -0.082 0.000 2.146 77 F HA -0.130 4.355 4.527 -0.070 0.000 0.298 77 F C 2.226 177.991 175.800 -0.058 0.000 1.096 77 F CA 0.554 58.539 58.000 -0.025 0.000 1.275 77 F CB -0.876 38.122 39.000 -0.003 0.000 1.008 77 F HN -0.252 nan 8.300 nan 0.000 0.480 78 V N 0.112 120.030 119.914 0.006 0.000 2.626 78 V HA -0.242 3.837 4.120 -0.069 0.000 0.252 78 V C 2.461 178.170 176.094 -0.642 0.000 1.067 78 V CA 1.627 63.694 62.300 -0.388 0.000 1.081 78 V CB -0.773 30.959 31.823 -0.151 0.000 0.686 78 V HN 0.232 nan 8.190 nan 0.000 0.468 79 R N 0.340 120.637 120.500 -0.339 0.000 2.193 79 R HA -0.166 4.132 4.340 -0.069 0.000 0.229 79 R C 1.793 177.932 176.300 -0.269 0.000 1.110 79 R CA 1.436 57.343 56.100 -0.322 0.000 0.988 79 R CB -0.289 29.858 30.300 -0.256 0.000 0.871 79 R HN 0.472 nan 8.270 nan 0.000 0.458 80 D N -0.099 120.230 120.400 -0.118 0.000 2.221 80 D HA -0.188 4.411 4.640 -0.069 0.000 0.204 80 D C 1.251 177.554 176.300 0.006 0.000 0.982 80 D CA 1.470 55.487 54.000 0.028 0.000 0.857 80 D CB -0.013 40.967 40.800 0.299 0.000 0.934 80 D HN 0.528 nan 8.370 nan 0.000 0.475 81 F N -2.143 117.802 119.950 -0.008 0.000 2.752 81 F HA 0.566 5.051 4.527 -0.070 0.000 0.310 81 F C 1.789 177.624 175.800 0.058 0.000 1.097 81 F CA -0.240 57.758 58.000 -0.004 0.000 1.238 81 F CB -0.135 38.814 39.000 -0.084 0.000 1.061 81 F HN -0.118 nan 8.300 nan 0.000 0.591 82 A N 0.957 123.576 122.820 -0.335 0.000 2.195 82 A HA 0.561 4.840 4.320 -0.069 0.000 0.210 82 A C 1.945 179.281 177.584 -0.413 0.000 1.165 82 A CA 0.659 52.590 52.037 -0.176 0.000 0.806 82 A CB -1.235 17.654 19.000 -0.185 0.000 0.847 82 A HN 0.754 nan 8.150 nan 0.000 0.482 83 G N 1.302 109.654 108.800 -0.748 0.000 2.634 83 G HA2 -0.393 3.525 3.960 -0.069 0.000 0.309 83 G HA3 -0.393 3.525 3.960 -0.069 0.000 0.309 83 G C 0.176 174.720 174.900 -0.592 0.000 1.265 83 G CA 0.632 45.047 45.100 -1.140 0.000 0.998 83 G HN 0.950 nan 8.290 nan 0.000 0.551 84 D N 1.565 121.683 120.400 -0.469 0.000 2.889 84 D HA 0.474 5.073 4.640 -0.069 0.000 0.243 84 D C 1.015 177.307 176.300 -0.012 0.000 1.270 84 D CA 0.706 54.622 54.000 -0.140 0.000 0.838 84 D CB -0.369 40.414 40.800 -0.027 0.000 1.040 84 D HN 0.788 nan 8.370 nan 0.000 0.480 85 G N -0.188 108.596 108.800 -0.028 0.000 2.621 85 G HA2 0.265 4.184 3.960 -0.069 0.000 0.271 85 G HA3 0.265 4.184 3.960 -0.069 0.000 0.271 85 G C 1.062 176.035 174.900 0.122 0.000 1.236 85 G CA -0.768 44.366 45.100 0.057 0.000 0.958 85 G HN 0.250 nan 8.290 nan 0.000 0.512 86 L N -0.870 120.457 121.223 0.174 0.000 2.079 86 L HA -0.114 4.185 4.340 -0.069 0.000 0.210 86 L C 2.499 179.595 176.870 0.378 0.000 1.081 86 L CA 1.154 56.188 54.840 0.324 0.000 0.752 86 L CB -0.339 41.891 42.059 0.284 0.000 0.896 86 L HN 0.527 nan 8.230 nan 0.000 0.433 87 F N 0.877 120.877 119.950 0.084 0.000 2.259 87 F HA -0.126 4.359 4.527 -0.070 0.000 0.298 87 F C 2.162 177.917 175.800 -0.075 0.000 1.088 87 F CA 1.527 59.536 58.000 0.015 0.000 1.358 87 F CB -0.193 38.808 39.000 0.001 0.000 1.040 87 F HN 0.045 nan 8.300 nan 0.000 0.505 88 T N -2.122 112.395 114.554 -0.062 0.000 3.269 88 T HA 0.373 4.682 4.350 -0.069 0.000 0.269 88 T C 0.261 174.776 174.700 -0.308 0.000 0.993 88 T CA -0.286 61.634 62.100 -0.301 0.000 0.909 88 T CB -0.296 68.409 68.868 -0.272 0.000 1.115 88 T HN -0.012 nan 8.240 nan 0.000 0.543 89 S N 0.641 116.213 115.700 -0.212 0.000 2.578 89 S HA 0.598 5.027 4.470 -0.069 0.000 0.301 89 S C -0.788 173.622 174.600 -0.316 0.000 1.091 89 S CA -0.974 57.116 58.200 -0.183 0.000 1.032 89 S CB 0.824 64.095 63.200 0.119 0.000 1.064 89 S HN 0.549 nan 8.310 nan 0.000 0.508 90 W N 1.208 122.389 121.300 -0.198 0.000 2.170 90 W HA 0.176 4.795 4.660 -0.068 0.000 0.336 90 W C 1.710 178.035 176.519 -0.323 0.000 1.283 90 W CA -0.178 56.987 57.345 -0.300 0.000 1.224 90 W CB 0.052 29.164 29.460 -0.579 0.000 1.132 90 W HN 0.623 nan 8.180 nan 0.000 0.571 91 T N 0.850 115.359 114.554 -0.075 0.000 2.881 91 T HA -0.242 4.067 4.350 -0.069 0.000 0.270 91 T C 1.389 176.143 174.700 0.090 0.000 1.068 91 T CA 1.682 63.580 62.100 -0.336 0.000 1.131 91 T CB -0.330 68.353 68.868 -0.309 0.000 0.871 91 T HN 0.477 nan 8.240 nan 0.000 0.479 92 H N 0.375 119.519 119.070 0.122 0.000 2.539 92 H HA 0.348 4.862 4.556 -0.069 0.000 0.269 92 H C 0.290 175.715 175.328 0.161 0.000 0.980 92 H CA -0.146 55.979 56.048 0.128 0.000 1.152 92 H CB -0.286 29.511 29.762 0.059 0.000 1.407 92 H HN 0.363 nan 8.280 nan 0.000 0.564 93 E N 2.293 122.499 120.200 0.010 0.000 2.316 93 E HA 0.006 4.314 4.350 -0.069 0.000 0.275 93 E C 1.175 177.883 176.600 0.179 0.000 1.029 93 E CA -0.264 56.185 56.400 0.082 0.000 0.871 93 E CB 1.691 31.459 29.700 0.113 0.000 1.022 93 E HN 0.336 nan 8.360 nan 0.000 0.418 94 K N 3.925 124.405 120.400 0.133 0.000 2.074 94 K HA -0.277 4.002 4.320 -0.069 0.000 0.209 94 K C 0.945 177.622 176.600 0.130 0.000 1.048 94 K CA 1.999 58.363 56.287 0.129 0.000 0.926 94 K CB -0.030 32.524 32.500 0.091 0.000 0.713 94 K HN 0.467 nan 8.250 nan 0.000 0.444 95 N N -0.632 118.142 118.700 0.123 0.000 2.381 95 N HA -0.153 4.546 4.740 -0.069 0.000 0.182 95 N C 1.294 176.870 175.510 0.111 0.000 1.025 95 N CA 0.838 53.949 53.050 0.102 0.000 0.888 95 N CB -0.113 38.431 38.487 0.096 0.000 0.965 95 N HN 0.370 nan 8.380 nan 0.000 0.438 96 W N 2.253 123.590 121.300 0.061 0.000 2.380 96 W HA -0.059 4.559 4.660 -0.069 0.000 0.317 96 W C 2.165 178.752 176.519 0.113 0.000 1.196 96 W CA 1.148 58.536 57.345 0.071 0.000 1.307 96 W CB -0.122 29.364 29.460 0.042 0.000 1.157 96 W HN -0.246 nan 8.180 nan 0.000 0.483 97 K N 1.049 121.515 120.400 0.110 0.000 2.032 97 K HA -0.179 4.100 4.320 -0.069 0.000 0.209 97 K C 1.933 178.453 176.600 -0.132 0.000 1.048 97 K CA 1.923 58.163 56.287 -0.079 0.000 0.927 97 K CB -0.732 31.866 32.500 0.164 0.000 0.712 97 K HN 0.224 nan 8.250 nan 0.000 0.441 98 K N -0.132 120.245 120.400 -0.039 0.000 2.020 98 K HA -0.142 4.137 4.320 -0.069 0.000 0.212 98 K C 2.139 178.696 176.600 -0.072 0.000 1.050 98 K CA 1.653 57.923 56.287 -0.028 0.000 0.929 98 K CB -0.245 32.260 32.500 0.009 0.000 0.714 98 K HN 0.159 nan 8.250 nan 0.000 0.443 99 A N 0.784 123.544 122.820 -0.100 0.000 1.933 99 A HA -0.222 4.056 4.320 -0.069 0.000 0.218 99 A C 1.966 179.462 177.584 -0.146 0.000 1.175 99 A CA 1.908 53.897 52.037 -0.081 0.000 0.628 99 A CB -0.765 18.210 19.000 -0.042 0.000 0.814 99 A HN 0.480 nan 8.150 nan 0.000 0.444 100 H N 0.465 119.250 119.070 -0.475 0.000 2.293 100 H HA -0.100 4.414 4.556 -0.069 0.000 0.300 100 H C 1.907 177.085 175.328 -0.250 0.000 1.082 100 H CA 2.150 57.883 56.048 -0.524 0.000 1.308 100 H CB -0.119 28.896 29.762 -1.244 0.000 1.375 100 H HN 0.398 nan 8.280 nan 0.000 0.495 101 N N 0.168 118.733 118.700 -0.226 0.000 2.166 101 N HA -0.105 4.593 4.740 -0.069 0.000 0.186 101 N C 2.049 177.486 175.510 -0.122 0.000 1.019 101 N CA 1.428 54.386 53.050 -0.152 0.000 0.856 101 N CB -0.138 38.328 38.487 -0.035 0.000 0.993 101 N HN 0.468 nan 8.380 nan 0.000 0.426 102 I N 0.324 120.844 120.570 -0.083 0.000 2.233 102 I HA -0.144 3.985 4.170 -0.069 0.000 0.243 102 I C 1.750 177.851 176.117 -0.026 0.000 1.093 102 I CA 0.806 62.084 61.300 -0.036 0.000 1.380 102 I CB -0.020 37.980 38.000 0.002 0.000 1.067 102 I HN 0.020 nan 8.210 nan 0.000 0.413 103 L N -0.288 120.933 121.223 -0.004 0.000 2.341 103 L HA -0.058 4.241 4.340 -0.069 0.000 0.214 103 L C 2.349 179.275 176.870 0.094 0.000 1.115 103 L CA 0.289 55.190 54.840 0.101 0.000 0.820 103 L CB -0.247 41.983 42.059 0.284 0.000 0.944 103 L HN 0.250 nan 8.230 nan 0.000 0.452 104 L N 0.912 122.091 121.223 -0.074 0.000 1.991 104 L HA -0.220 4.078 4.340 -0.069 0.000 0.221 104 L C -0.046 176.832 176.870 0.013 0.000 1.079 104 L CA 2.117 56.910 54.840 -0.080 0.000 0.778 104 L CB -1.444 40.474 42.059 -0.236 0.000 0.893 104 L HN 0.265 nan 8.230 nan 0.000 0.437 105 P HA -0.098 nan 4.420 nan 0.000 0.220 105 P C 1.330 178.578 177.300 -0.088 0.000 1.148 105 P CA 1.272 64.341 63.100 -0.053 0.000 0.803 105 P CB -0.000 31.652 31.700 -0.079 0.000 0.782 106 S N -1.525 114.089 115.700 -0.144 0.000 2.607 106 S HA 0.086 4.515 4.470 -0.069 0.000 0.224 106 S C 0.818 175.320 174.600 -0.163 0.000 0.969 106 S CA 0.415 58.462 58.200 -0.256 0.000 0.927 106 S CB -0.747 62.219 63.200 -0.391 0.000 0.772 106 S HN 0.112 nan 8.310 nan 0.000 0.533 107 F N 1.485 121.461 119.950 0.044 0.000 2.688 107 F HA 0.255 4.741 4.527 -0.069 0.000 0.310 107 F C 1.275 177.138 175.800 0.104 0.000 1.098 107 F CA -0.634 57.421 58.000 0.092 0.000 1.228 107 F CB 0.097 39.099 39.000 0.004 0.000 1.042 107 F HN 0.032 nan 8.300 nan 0.000 0.557 108 S N -0.561 115.253 115.700 0.190 0.000 2.596 108 S HA 0.023 4.451 4.470 -0.069 0.000 0.260 108 S C 1.339 176.023 174.600 0.140 0.000 1.336 108 S CA -0.395 57.886 58.200 0.136 0.000 0.993 108 S CB 0.979 64.215 63.200 0.061 0.000 0.923 108 S HN 0.251 nan 8.310 nan 0.000 0.567 109 Q N 0.507 120.385 119.800 0.129 0.000 2.096 109 Q HA -0.150 4.148 4.340 -0.069 0.000 0.204 109 Q C 2.117 178.171 176.000 0.090 0.000 0.982 109 Q CA 1.917 57.806 55.803 0.143 0.000 0.850 109 Q CB -0.490 28.337 28.738 0.150 0.000 0.901 109 Q HN 0.762 nan 8.270 nan 0.000 0.422 110 Q N -0.529 119.285 119.800 0.024 0.000 2.170 110 Q HA -0.083 4.216 4.340 -0.069 0.000 0.203 110 Q C 1.941 177.841 176.000 -0.166 0.000 0.976 110 Q CA 1.484 57.239 55.803 -0.080 0.000 0.858 110 Q CB -0.504 28.192 28.738 -0.069 0.000 0.907 110 Q HN 0.521 nan 8.270 nan 0.000 0.433 111 A N 0.586 123.338 122.820 -0.114 0.000 2.067 111 A HA -0.109 4.170 4.320 -0.069 0.000 0.219 111 A C 2.006 179.430 177.584 -0.268 0.000 1.158 111 A CA 0.912 52.828 52.037 -0.201 0.000 0.661 111 A CB -0.285 18.667 19.000 -0.081 0.000 0.801 111 A HN 0.195 nan 8.150 nan 0.000 0.452 112 M N 0.009 119.563 119.600 -0.076 0.000 2.279 112 M HA -0.126 4.312 4.480 -0.069 0.000 0.264 112 M C 1.701 177.861 176.300 -0.233 0.000 1.062 112 M CA 1.357 56.629 55.300 -0.047 0.000 1.099 112 M CB -1.157 31.388 32.600 -0.091 0.000 1.394 112 M HN 0.426 nan 8.290 nan 0.000 0.426 113 K N 0.024 120.124 120.400 -0.501 0.000 2.074 113 K HA -0.127 4.152 4.320 -0.069 0.000 0.209 113 K C 2.037 178.449 176.600 -0.314 0.000 1.048 113 K CA 1.480 57.389 56.287 -0.629 0.000 0.926 113 K CB -0.592 31.454 32.500 -0.756 0.000 0.713 113 K HN 0.495 nan 8.250 nan 0.000 0.444 114 G N -0.536 108.035 108.800 -0.382 0.000 2.712 114 G HA2 -0.138 3.780 3.960 -0.069 0.000 0.212 114 G HA3 -0.138 3.780 3.960 -0.069 0.000 0.212 114 G C 0.774 175.489 174.900 -0.308 0.000 1.142 114 G CA 0.195 45.092 45.100 -0.339 0.000 0.789 114 G HN 0.221 nan 8.290 nan 0.000 0.535 115 Y N -0.960 119.343 120.300 0.004 0.000 2.510 115 Y HA 0.169 4.678 4.550 -0.068 0.000 0.273 115 Y C 2.290 178.203 175.900 0.022 0.000 1.119 115 Y CA -0.456 57.654 58.100 0.016 0.000 1.286 115 Y CB -0.601 37.864 38.460 0.009 0.000 1.061 115 Y HN 0.299 nan 8.280 nan 0.000 0.542 116 H N 0.607 119.730 119.070 0.088 0.000 2.265 116 H HA -0.264 4.251 4.556 -0.069 0.000 0.293 116 H C 2.203 177.605 175.328 0.122 0.000 1.089 116 H CA 1.857 58.001 56.048 0.161 0.000 1.244 116 H CB -0.049 29.836 29.762 0.204 0.000 1.355 116 H HN 0.354 nan 8.280 nan 0.000 0.485 117 A N 1.267 124.141 122.820 0.090 0.000 1.908 117 A HA -0.196 4.082 4.320 -0.069 0.000 0.218 117 A C 2.594 180.163 177.584 -0.025 0.000 1.181 117 A CA 2.016 54.065 52.037 0.021 0.000 0.627 117 A CB -0.517 18.520 19.000 0.061 0.000 0.818 117 A HN 0.388 nan 8.150 nan 0.000 0.445 118 M N -0.951 118.661 119.600 0.019 0.000 2.175 118 M HA -0.050 4.389 4.480 -0.069 0.000 0.264 118 M C 2.271 178.569 176.300 -0.003 0.000 1.063 118 M CA 1.289 56.602 55.300 0.021 0.000 1.119 118 M CB -1.209 31.429 32.600 0.063 0.000 1.377 118 M HN 0.473 nan 8.290 nan 0.000 0.415 119 M N -0.805 118.775 119.600 -0.033 0.000 2.117 119 M HA -0.174 4.264 4.480 -0.069 0.000 0.262 119 M C 2.222 178.456 176.300 -0.109 0.000 1.065 119 M CA 1.253 56.511 55.300 -0.070 0.000 1.114 119 M CB -0.690 31.849 32.600 -0.101 0.000 1.361 119 M HN 0.042 nan 8.290 nan 0.000 0.408 120 V N 0.834 120.627 119.914 -0.201 0.000 2.343 120 V HA -0.282 3.797 4.120 -0.069 0.000 0.247 120 V C 2.238 178.284 176.094 -0.079 0.000 1.051 120 V CA 2.110 64.309 62.300 -0.170 0.000 1.036 120 V CB -0.737 30.958 31.823 -0.214 0.000 0.654 120 V HN 0.522 nan 8.190 nan 0.000 0.451 121 D N 0.411 120.781 120.400 -0.050 0.000 2.106 121 D HA -0.196 4.403 4.640 -0.069 0.000 0.191 121 D C 2.002 178.300 176.300 -0.003 0.000 0.997 121 D CA 1.733 55.722 54.000 -0.019 0.000 0.834 121 D CB -0.049 40.748 40.800 -0.004 0.000 0.956 121 D HN 0.331 nan 8.370 nan 0.000 0.448 122 I N 1.238 121.821 120.570 0.022 0.000 2.439 122 I HA -0.109 4.020 4.170 -0.069 0.000 0.251 122 I C 2.687 178.815 176.117 0.019 0.000 1.139 122 I CA 0.729 62.075 61.300 0.077 0.000 1.438 122 I CB -1.666 36.412 38.000 0.130 0.000 1.085 122 I HN -0.012 nan 8.210 nan 0.000 0.427 123 A N 1.039 123.839 122.820 -0.034 0.000 1.877 123 A HA -0.133 4.146 4.320 -0.069 0.000 0.216 123 A C 2.562 180.054 177.584 -0.154 0.000 1.186 123 A CA 1.772 53.757 52.037 -0.086 0.000 0.620 123 A CB -0.983 17.972 19.000 -0.075 0.000 0.822 123 A HN 0.226 nan 8.150 nan 0.000 0.443 124 V N 0.140 119.979 119.914 -0.125 0.000 2.407 124 V HA -0.329 3.749 4.120 -0.069 0.000 0.248 124 V C 2.638 178.605 176.094 -0.212 0.000 1.055 124 V CA 2.269 64.479 62.300 -0.150 0.000 1.049 124 V CB -0.931 30.832 31.823 -0.099 0.000 0.662 124 V HN 0.647 nan 8.190 nan 0.000 0.455 125 Q N -0.759 118.923 119.800 -0.198 0.000 2.124 125 Q HA -0.188 4.111 4.340 -0.069 0.000 0.202 125 Q C 2.324 177.903 176.000 -0.702 0.000 0.977 125 Q CA 1.431 57.047 55.803 -0.313 0.000 0.850 125 Q CB -0.289 28.374 28.738 -0.124 0.000 0.901 125 Q HN 0.499 nan 8.270 nan 0.000 0.429 126 L N 0.573 121.326 121.223 -0.784 0.000 2.027 126 L HA -0.114 4.184 4.340 -0.069 0.000 0.206 126 L C 2.109 178.454 176.870 -0.874 0.000 1.074 126 L CA 1.523 55.718 54.840 -1.075 0.000 0.745 126 L CB -0.713 40.918 42.059 -0.712 0.000 0.898 126 L HN 0.079 nan 8.230 nan 0.000 0.433 127 V N 0.365 119.966 119.914 -0.521 0.000 2.358 127 V HA -0.230 3.849 4.120 -0.069 0.000 0.246 127 V C 2.797 178.833 176.094 -0.096 0.000 1.047 127 V CA 1.322 63.486 62.300 -0.227 0.000 1.035 127 V CB -0.565 31.166 31.823 -0.153 0.000 0.658 127 V HN 0.480 nan 8.190 nan 0.000 0.452 128 Q N 0.226 119.901 119.800 -0.209 0.000 2.084 128 Q HA -0.250 4.049 4.340 -0.069 0.000 0.202 128 Q C 2.306 178.230 176.000 -0.127 0.000 0.978 128 Q CA 1.871 57.589 55.803 -0.142 0.000 0.844 128 Q CB -0.378 28.264 28.738 -0.161 0.000 0.898 128 Q HN 0.676 nan 8.270 nan 0.000 0.426 129 K N -0.193 120.050 120.400 -0.261 0.000 2.044 129 K HA -0.191 4.087 4.320 -0.069 0.000 0.210 129 K C 1.794 178.435 176.600 0.067 0.000 1.049 129 K CA 1.586 57.771 56.287 -0.170 0.000 0.927 129 K CB -0.136 32.178 32.500 -0.310 0.000 0.713 129 K HN 0.147 nan 8.250 nan 0.000 0.443 130 W N 1.829 123.014 121.300 -0.192 0.000 2.402 130 W HA -0.052 4.567 4.660 -0.068 0.000 0.286 130 W C 2.036 178.507 176.519 -0.080 0.000 1.221 130 W CA 0.401 57.588 57.345 -0.264 0.000 1.257 130 W CB -0.592 28.507 29.460 -0.603 0.000 1.120 130 W HN 0.215 nan 8.180 nan 0.000 0.551 131 E N 0.123 120.537 120.200 0.356 0.000 2.153 131 E HA -0.155 4.154 4.350 -0.069 0.000 0.194 131 E C 1.856 178.529 176.600 0.121 0.000 0.988 131 E CA 1.117 57.695 56.400 0.298 0.000 0.811 131 E CB -0.358 29.428 29.700 0.144 0.000 0.746 131 E HN 0.381 nan 8.360 nan 0.000 0.466 132 R N 0.151 120.689 120.500 0.064 0.000 2.310 132 R HA 0.185 4.484 4.340 -0.069 0.000 0.202 132 R C 0.687 176.987 176.300 -0.000 0.000 0.933 132 R CA -0.161 55.949 56.100 0.016 0.000 1.054 132 R CB 0.106 30.399 30.300 -0.012 0.000 0.985 132 R HN 0.047 nan 8.270 nan 0.000 0.489 133 L N 1.822 123.042 121.223 -0.004 0.000 2.461 133 L HA 0.039 4.338 4.340 -0.069 0.000 0.272 133 L C 0.585 177.426 176.870 -0.047 0.000 1.197 133 L CA -0.106 54.704 54.840 -0.050 0.000 0.836 133 L CB 0.221 42.213 42.059 -0.113 0.000 1.105 133 L HN 0.157 nan 8.230 nan 0.000 0.477 134 N N 1.050 119.718 118.700 -0.054 0.000 2.327 134 N HA 0.137 4.836 4.740 -0.069 0.000 0.257 134 N C 0.799 176.274 175.510 -0.057 0.000 1.281 134 N CA 0.163 53.186 53.050 -0.044 0.000 0.942 134 N CB 0.877 39.342 38.487 -0.037 0.000 1.199 134 N HN 0.712 nan 8.380 nan 0.000 0.532 135 A N 0.170 122.963 122.820 -0.045 0.000 1.972 135 A HA -0.136 4.143 4.320 -0.069 0.000 0.219 135 A C 0.655 178.207 177.584 -0.053 0.000 1.169 135 A CA 1.355 53.363 52.037 -0.049 0.000 0.635 135 A CB -0.206 18.775 19.000 -0.033 0.000 0.810 135 A HN 0.578 nan 8.150 nan 0.000 0.446 136 D N 0.661 121.036 120.400 -0.041 0.000 2.504 136 D HA 0.224 4.822 4.640 -0.069 0.000 0.243 136 D C -0.133 176.147 176.300 -0.033 0.000 1.203 136 D CA 0.338 54.321 54.000 -0.029 0.000 0.847 136 D CB 0.006 40.797 40.800 -0.016 0.000 0.973 136 D HN 0.606 nan 8.370 nan 0.000 0.490 137 E N 0.055 120.211 120.200 -0.073 0.000 2.393 137 E HA 0.290 4.599 4.350 -0.069 0.000 0.273 137 E C -0.225 176.276 176.600 -0.164 0.000 0.918 137 E CA -0.872 55.456 56.400 -0.120 0.000 0.773 137 E CB 2.264 31.869 29.700 -0.159 0.000 1.275 137 E HN 0.220 nan 8.360 nan 0.000 0.451 138 H N 0.172 119.109 119.070 -0.220 0.000 2.908 138 H HA 0.607 5.124 4.556 -0.065 0.000 0.350 138 H C -0.864 174.276 175.328 -0.314 0.000 1.217 138 H CA -1.008 54.842 56.048 -0.330 0.000 1.168 138 H CB 0.899 30.480 29.762 -0.302 0.000 1.891 138 H HN 0.351 nan 8.280 nan 0.000 0.566 139 I N 0.887 121.265 120.570 -0.319 0.000 2.460 139 I HA 0.133 4.262 4.170 -0.069 0.000 0.298 139 I C -0.136 175.872 176.117 -0.181 0.000 0.989 139 I CA -0.575 60.477 61.300 -0.413 0.000 1.173 139 I CB 1.844 39.345 38.000 -0.832 0.000 1.338 139 I HN 0.491 nan 8.210 nan 0.000 0.456 140 E N 5.014 125.146 120.200 -0.114 0.000 2.014 140 E HA 0.161 4.470 4.350 -0.069 0.000 0.275 140 E C 0.639 177.203 176.600 -0.059 0.000 0.997 140 E CA -0.313 56.054 56.400 -0.056 0.000 0.804 140 E CB 1.492 31.191 29.700 -0.003 0.000 1.090 140 E HN 0.425 nan 8.360 nan 0.000 0.401 141 V N 5.064 124.871 119.914 -0.178 0.000 2.220 141 V HA -0.216 3.862 4.120 -0.069 0.000 0.246 141 V C -0.852 175.272 176.094 0.049 0.000 1.049 141 V CA 1.841 64.087 62.300 -0.090 0.000 1.003 141 V CB -1.214 30.435 31.823 -0.290 0.000 0.634 141 V HN 0.583 nan 8.190 nan 0.000 0.444 142 P HA -0.140 nan 4.420 nan 0.000 0.216 142 P C 1.393 178.718 177.300 0.041 0.000 1.150 142 P CA 1.422 64.531 63.100 0.016 0.000 0.837 142 P CB 0.007 31.683 31.700 -0.040 0.000 0.786 143 E N -0.230 119.995 120.200 0.041 0.000 2.051 143 E HA -0.159 4.150 4.350 -0.069 0.000 0.192 143 E C 1.858 178.515 176.600 0.095 0.000 0.991 143 E CA 1.304 57.735 56.400 0.052 0.000 0.799 143 E CB -0.930 28.794 29.700 0.040 0.000 0.748 143 E HN 0.217 nan 8.360 nan 0.000 0.449 144 D N -0.716 119.790 120.400 0.176 0.000 2.183 144 D HA -0.058 4.541 4.640 -0.069 0.000 0.203 144 D C 1.699 178.147 176.300 0.248 0.000 0.969 144 D CA 0.693 54.871 54.000 0.298 0.000 0.842 144 D CB 0.020 41.113 40.800 0.488 0.000 0.957 144 D HN 0.096 nan 8.370 nan 0.000 0.484 145 M N 0.164 119.880 119.600 0.194 0.000 2.175 145 M HA -0.070 4.369 4.480 -0.069 0.000 0.264 145 M C 2.060 178.433 176.300 0.123 0.000 1.063 145 M CA 1.035 56.428 55.300 0.156 0.000 1.119 145 M CB -1.193 31.488 32.600 0.134 0.000 1.377 145 M HN -0.081 nan 8.290 nan 0.000 0.415 146 T N 0.180 114.791 114.554 0.095 0.000 2.821 146 T HA -0.074 4.235 4.350 -0.069 0.000 0.267 146 T C 2.007 176.737 174.700 0.050 0.000 1.046 146 T CA 1.001 63.158 62.100 0.095 0.000 1.139 146 T CB -0.100 68.822 68.868 0.090 0.000 0.871 146 T HN 0.358 nan 8.240 nan 0.000 0.454 147 R N 0.357 120.831 120.500 -0.044 0.000 2.091 147 R HA -0.061 4.238 4.340 -0.069 0.000 0.238 147 R C 2.446 178.605 176.300 -0.235 0.000 1.136 147 R CA 1.262 57.193 56.100 -0.281 0.000 0.959 147 R CB -0.587 29.291 30.300 -0.704 0.000 0.856 147 R HN 0.314 nan 8.270 nan 0.000 0.437 148 L N 0.703 121.940 121.223 0.023 0.000 2.005 148 L HA -0.166 4.133 4.340 -0.069 0.000 0.207 148 L C 2.466 179.430 176.870 0.157 0.000 1.072 148 L CA 2.344 57.299 54.840 0.191 0.000 0.744 148 L CB -0.693 41.509 42.059 0.239 0.000 0.895 148 L HN 0.255 nan 8.230 nan 0.000 0.433 149 T N -2.252 112.398 114.554 0.159 0.000 2.777 149 T HA -0.164 4.145 4.350 -0.069 0.000 0.266 149 T C 2.003 176.845 174.700 0.236 0.000 1.040 149 T CA 1.570 63.795 62.100 0.207 0.000 1.141 149 T CB -0.904 68.087 68.868 0.205 0.000 0.868 149 T HN 0.382 nan 8.240 nan 0.000 0.444 150 L N 0.990 122.330 121.223 0.195 0.000 2.012 150 L HA -0.096 4.203 4.340 -0.069 0.000 0.210 150 L C 2.722 179.778 176.870 0.310 0.000 1.073 150 L CA 1.888 56.836 54.840 0.180 0.000 0.748 150 L CB -0.641 41.413 42.059 -0.009 0.000 0.891 150 L HN 0.210 nan 8.230 nan 0.000 0.431 151 D N -0.921 119.624 120.400 0.242 0.000 2.117 151 D HA -0.145 4.454 4.640 -0.069 0.000 0.198 151 D C 2.182 178.606 176.300 0.207 0.000 0.982 151 D CA 1.474 55.633 54.000 0.265 0.000 0.828 151 D CB -0.157 40.729 40.800 0.144 0.000 0.967 151 D HN 0.207 nan 8.370 nan 0.000 0.464 152 T N 0.437 115.116 114.554 0.209 0.000 2.746 152 T HA -0.073 4.236 4.350 -0.069 0.000 0.267 152 T C 2.124 176.996 174.700 0.287 0.000 1.039 152 T CA 0.638 62.866 62.100 0.213 0.000 1.142 152 T CB -0.217 68.780 68.868 0.216 0.000 0.866 152 T HN 0.160 nan 8.240 nan 0.000 0.444 153 I N 1.156 121.923 120.570 0.328 0.000 2.394 153 I HA -0.071 4.058 4.170 -0.069 0.000 0.251 153 I C 2.844 179.142 176.117 0.302 0.000 1.136 153 I CA 1.085 62.562 61.300 0.295 0.000 1.425 153 I CB -0.617 37.538 38.000 0.259 0.000 1.079 153 I HN 0.305 nan 8.210 nan 0.000 0.425 154 G N 0.803 109.796 108.800 0.321 0.000 2.402 154 G HA2 -0.170 3.749 3.960 -0.069 0.000 0.216 154 G HA3 -0.170 3.749 3.960 -0.069 0.000 0.216 154 G C 1.707 176.491 174.900 -0.192 0.000 1.162 154 G CA 0.312 45.453 45.100 0.069 0.000 0.777 154 G HN 0.226 nan 8.290 nan 0.000 0.539 155 L N 0.051 121.221 121.223 -0.088 0.000 2.023 155 L HA -0.069 4.229 4.340 -0.069 0.000 0.205 155 L C 2.953 179.831 176.870 0.014 0.000 1.073 155 L CA 1.162 55.947 54.840 -0.092 0.000 0.745 155 L CB -0.334 41.705 42.059 -0.034 0.000 0.900 155 L HN 0.276 nan 8.230 nan 0.000 0.435 156 C N -0.523 118.843 119.300 0.111 0.000 2.432 156 C HA -0.034 4.385 4.460 -0.069 0.000 0.280 156 C C 2.684 177.709 174.990 0.059 0.000 1.353 156 C CA 0.601 59.698 59.018 0.132 0.000 1.766 156 C CB -1.471 26.393 27.740 0.206 0.000 1.924 156 C HN 0.706 nan 8.230 nan 0.000 0.509 157 G N 0.400 109.279 108.800 0.131 0.000 2.408 157 G HA2 0.053 3.972 3.960 -0.069 0.000 0.213 157 G HA3 0.053 3.972 3.960 -0.069 0.000 0.213 157 G C 0.829 175.944 174.900 0.358 0.000 1.177 157 G CA 1.099 46.339 45.100 0.232 0.000 0.802 157 G HN 0.606 nan 8.290 nan 0.000 0.533 158 F N -1.950 117.997 119.950 -0.004 0.000 2.856 158 F HA 0.436 4.921 4.527 -0.070 0.000 0.333 158 F C 0.110 175.891 175.800 -0.032 0.000 1.200 158 F CA -1.682 56.301 58.000 -0.028 0.000 1.128 158 F CB -1.015 37.949 39.000 -0.061 0.000 1.172 158 F HN 0.038 nan 8.300 nan 0.000 0.511 159 N N 1.377 120.003 118.700 -0.124 0.000 2.708 159 N HA -0.310 4.388 4.740 -0.069 0.000 0.249 159 N C -1.165 174.150 175.510 -0.326 0.000 1.097 159 N CA 0.849 53.793 53.050 -0.176 0.000 0.710 159 N CB -1.607 36.830 38.487 -0.083 0.000 1.032 159 N HN 0.757 nan 8.380 nan 0.000 0.551 160 Y N 0.446 120.249 120.300 -0.829 0.000 2.352 160 Y HA 0.529 5.038 4.550 -0.069 0.000 0.339 160 Y C 0.271 175.637 175.900 -0.889 0.000 0.992 160 Y CA -0.888 56.627 58.100 -0.975 0.000 1.100 160 Y CB 0.927 38.374 38.460 -1.687 0.000 1.192 160 Y HN -0.007 nan 8.280 nan 0.000 0.458 161 R N 5.894 125.690 120.500 -1.174 0.000 2.229 161 R HA 0.200 4.498 4.340 -0.069 0.000 0.332 161 R C -0.227 175.633 176.300 -0.732 0.000 0.989 161 R CA -0.348 55.305 56.100 -0.745 0.000 0.842 161 R CB 0.485 30.515 30.300 -0.450 0.000 1.119 161 R HN 0.732 nan 8.270 nan 0.000 0.456 162 F N 1.151 120.945 119.950 -0.260 0.000 2.558 162 F HA -0.017 4.470 4.527 -0.068 0.000 0.298 162 F C 0.775 176.571 175.800 -0.006 0.000 1.119 162 F CA 0.007 57.930 58.000 -0.128 0.000 1.451 162 F CB -0.084 38.870 39.000 -0.077 0.000 1.091 162 F HN 0.518 nan 8.300 nan 0.000 0.563 163 N N 0.192 118.973 118.700 0.135 0.000 2.725 163 N HA -0.201 4.497 4.740 -0.069 0.000 0.251 163 N C 1.012 176.667 175.510 0.241 0.000 1.031 163 N CA 0.861 54.044 53.050 0.222 0.000 0.720 163 N CB -1.401 37.139 38.487 0.088 0.000 0.930 163 N HN 0.155 nan 8.380 nan 0.000 0.543 164 S N -1.048 114.695 115.700 0.072 0.000 2.447 164 S HA 0.018 4.447 4.470 -0.069 0.000 0.233 164 S C 1.206 175.680 174.600 -0.209 0.000 1.006 164 S CA 0.463 58.601 58.200 -0.102 0.000 0.957 164 S CB -0.045 62.989 63.200 -0.278 0.000 0.773 164 S HN 0.419 nan 8.310 nan 0.000 0.507 165 F N -0.183 119.809 119.950 0.070 0.000 2.811 165 F HA 0.229 4.713 4.527 -0.070 0.000 0.301 165 F C 0.727 176.376 175.800 -0.251 0.000 1.151 165 F CA -0.152 57.791 58.000 -0.096 0.000 1.412 165 F CB -0.422 38.466 39.000 -0.186 0.000 1.113 165 F HN 0.219 nan 8.300 nan 0.000 0.579 166 Y N 0.287 120.668 120.300 0.135 0.000 2.507 166 Y HA 0.243 4.752 4.550 -0.068 0.000 0.254 166 Y C 0.897 176.834 175.900 0.062 0.000 1.171 166 Y CA -0.531 57.623 58.100 0.090 0.000 1.238 166 Y CB 0.145 38.643 38.460 0.062 0.000 1.148 166 Y HN -0.123 nan 8.280 nan 0.000 0.525 167 R N -1.517 119.071 120.500 0.146 0.000 2.739 167 R HA 0.328 4.627 4.340 -0.069 0.000 0.271 167 R C -0.798 175.537 176.300 0.058 0.000 1.010 167 R CA -0.566 55.594 56.100 0.101 0.000 0.897 167 R CB 1.281 31.647 30.300 0.111 0.000 1.236 167 R HN -0.087 nan 8.270 nan 0.000 0.466 168 D N 0.636 121.063 120.400 0.046 0.000 2.201 168 D HA -0.021 4.578 4.640 -0.069 0.000 0.209 168 D C -0.277 176.037 176.300 0.023 0.000 0.961 168 D CA 1.377 55.394 54.000 0.029 0.000 0.861 168 D CB 0.457 41.271 40.800 0.023 0.000 0.997 168 D HN 0.382 nan 8.370 nan 0.000 0.486 169 Q N 1.176 120.991 119.800 0.026 0.000 2.278 169 Q HA 0.333 4.631 4.340 -0.069 0.000 0.257 169 Q C -2.374 173.645 176.000 0.032 0.000 0.928 169 Q CA -1.663 54.152 55.803 0.020 0.000 0.932 169 Q CB 1.602 30.349 28.738 0.014 0.000 1.221 169 Q HN -0.036 nan 8.270 nan 0.000 0.434 170 P HA -0.093 nan 4.420 nan 0.000 0.269 170 P C -0.506 176.860 177.300 0.111 0.000 1.217 170 P CA -0.205 62.924 63.100 0.049 0.000 0.783 170 P CB 0.437 32.140 31.700 0.006 0.000 0.898 171 H N 4.203 123.313 119.070 0.066 0.000 3.092 171 H HA -0.060 4.454 4.556 -0.069 0.000 0.332 171 H C -1.286 174.110 175.328 0.113 0.000 1.029 171 H CA -0.634 55.499 56.048 0.142 0.000 1.376 171 H CB 0.308 30.249 29.762 0.299 0.000 1.329 171 H HN 0.264 nan 8.280 nan 0.000 0.598 172 P HA -0.196 nan 4.420 nan 0.000 0.219 172 P C 1.620 179.066 177.300 0.244 0.000 1.146 172 P CA 1.061 64.233 63.100 0.119 0.000 0.808 172 P CB -0.251 31.451 31.700 0.003 0.000 0.779 173 F N 0.740 120.922 119.950 0.387 0.000 2.102 173 F HA -0.167 4.318 4.527 -0.069 0.000 0.298 173 F C 2.176 177.946 175.800 -0.050 0.000 1.105 173 F CA 1.405 59.499 58.000 0.157 0.000 1.239 173 F CB -0.866 38.263 39.000 0.214 0.000 0.991 173 F HN -0.272 nan 8.300 nan 0.000 0.474 174 I N -0.333 120.294 120.570 0.094 0.000 2.163 174 I HA -0.344 3.785 4.170 -0.069 0.000 0.243 174 I C 2.290 178.311 176.117 -0.159 0.000 1.085 174 I CA 1.827 63.043 61.300 -0.141 0.000 1.347 174 I CB -0.933 36.947 38.000 -0.199 0.000 1.044 174 I HN 0.158 nan 8.210 nan 0.000 0.408 175 T N 0.007 114.516 114.554 -0.075 0.000 2.684 175 T HA -0.183 4.126 4.350 -0.069 0.000 0.267 175 T C 2.122 176.735 174.700 -0.144 0.000 1.036 175 T CA 1.970 64.019 62.100 -0.084 0.000 1.148 175 T CB -0.210 68.635 68.868 -0.038 0.000 0.863 175 T HN 0.285 nan 8.240 nan 0.000 0.436 176 S N 0.830 116.414 115.700 -0.193 0.000 2.383 176 S HA 0.008 4.437 4.470 -0.069 0.000 0.227 176 S C 2.013 176.382 174.600 -0.386 0.000 1.026 176 S CA 0.994 59.038 58.200 -0.260 0.000 0.981 176 S CB -0.354 62.679 63.200 -0.279 0.000 0.818 176 S HN 0.430 nan 8.310 nan 0.000 0.472 177 M N 1.501 120.790 119.600 -0.519 0.000 2.086 177 M HA -0.108 4.331 4.480 -0.069 0.000 0.261 177 M C 2.247 178.330 176.300 -0.361 0.000 1.067 177 M CA 1.793 56.758 55.300 -0.558 0.000 1.116 177 M CB -0.285 31.947 32.600 -0.612 0.000 1.348 177 M HN 0.315 nan 8.290 nan 0.000 0.407 178 V N -0.924 118.848 119.914 -0.236 0.000 2.453 178 V HA -0.194 3.885 4.120 -0.069 0.000 0.247 178 V C 2.185 178.223 176.094 -0.093 0.000 1.048 178 V CA 2.063 64.297 62.300 -0.110 0.000 1.049 178 V CB -0.888 30.913 31.823 -0.037 0.000 0.672 178 V HN 0.593 nan 8.190 nan 0.000 0.457 179 R N 0.370 120.800 120.500 -0.116 0.000 2.081 179 R HA -0.053 4.246 4.340 -0.069 0.000 0.235 179 R C 2.404 178.666 176.300 -0.063 0.000 1.131 179 R CA 1.794 57.849 56.100 -0.074 0.000 0.960 179 R CB -0.754 29.503 30.300 -0.071 0.000 0.856 179 R HN 0.628 nan 8.270 nan 0.000 0.436 180 A N 0.840 123.555 122.820 -0.176 0.000 1.883 180 A HA -0.191 4.087 4.320 -0.069 0.000 0.217 180 A C 2.010 179.552 177.584 -0.070 0.000 1.186 180 A CA 1.348 53.271 52.037 -0.190 0.000 0.624 180 A CB -0.648 17.870 19.000 -0.803 0.000 0.822 180 A HN 0.360 nan 8.150 nan 0.000 0.444 181 L N -0.241 120.888 121.223 -0.156 0.000 2.093 181 L HA -0.107 4.192 4.340 -0.069 0.000 0.208 181 L C 1.783 178.746 176.870 0.154 0.000 1.085 181 L CA 2.333 57.270 54.840 0.161 0.000 0.755 181 L CB -0.669 41.486 42.059 0.160 0.000 0.904 181 L HN 0.359 nan 8.230 nan 0.000 0.435 182 D N -0.950 119.486 120.400 0.060 0.000 2.117 182 D HA -0.204 4.394 4.640 -0.069 0.000 0.198 182 D C 2.091 178.385 176.300 -0.009 0.000 0.982 182 D CA 0.958 54.977 54.000 0.032 0.000 0.828 182 D CB 0.180 40.985 40.800 0.008 0.000 0.967 182 D HN 0.361 nan 8.370 nan 0.000 0.464 183 E N 0.480 120.661 120.200 -0.032 0.000 2.058 183 E HA -0.121 4.187 4.350 -0.069 0.000 0.194 183 E C 1.807 178.250 176.600 -0.261 0.000 0.997 183 E CA 1.679 57.977 56.400 -0.169 0.000 0.801 183 E CB -0.482 29.086 29.700 -0.220 0.000 0.746 183 E HN 0.177 nan 8.360 nan 0.000 0.450 184 A N 0.261 123.029 122.820 -0.087 0.000 1.930 184 A HA -0.119 4.160 4.320 -0.069 0.000 0.217 184 A C 2.166 179.744 177.584 -0.011 0.000 1.175 184 A CA 1.739 53.741 52.037 -0.059 0.000 0.627 184 A CB -0.420 18.788 19.000 0.347 0.000 0.815 184 A HN 0.295 nan 8.150 nan 0.000 0.443 185 M N 0.077 119.714 119.600 0.062 0.000 2.254 185 M HA -0.056 4.383 4.480 -0.069 0.000 0.265 185 M C 1.457 177.759 176.300 0.004 0.000 1.066 185 M CA 0.940 56.285 55.300 0.074 0.000 1.123 185 M CB -1.455 31.199 32.600 0.090 0.000 1.388 185 M HN 0.377 nan 8.290 nan 0.000 0.425 186 N N 1.005 119.668 118.700 -0.061 0.000 2.166 186 N HA -0.118 4.580 4.740 -0.069 0.000 0.186 186 N C 1.569 176.997 175.510 -0.137 0.000 1.019 186 N CA 1.071 54.069 53.050 -0.088 0.000 0.856 186 N CB -0.234 38.192 38.487 -0.103 0.000 0.993 186 N HN 0.396 nan 8.380 nan 0.000 0.426 187 K N 0.162 120.394 120.400 -0.280 0.000 2.103 187 K HA -0.102 4.176 4.320 -0.069 0.000 0.207 187 K C 0.595 177.125 176.600 -0.115 0.000 1.048 187 K CA 0.279 56.321 56.287 -0.408 0.000 0.930 187 K CB -0.173 31.642 32.500 -1.142 0.000 0.716 187 K HN 0.004 nan 8.250 nan 0.000 0.444 202 K N 1.969 122.385 120.400 0.027 0.000 2.032 202 K HA -0.022 4.257 4.320 -0.069 0.000 0.209 202 K C 2.071 178.743 176.600 0.120 0.000 1.048 202 K CA 1.336 57.679 56.287 0.093 0.000 0.927 202 K CB 0.023 32.555 32.500 0.054 0.000 0.712 202 K HN 0.118 nan 8.250 nan 0.000 0.441 203 R N 1.104 121.644 120.500 0.066 0.000 2.073 203 R HA -0.218 4.081 4.340 -0.069 0.000 0.234 203 R C 2.375 178.708 176.300 0.055 0.000 1.134 203 R CA 1.879 58.010 56.100 0.051 0.000 0.952 203 R CB -0.092 30.224 30.300 0.027 0.000 0.850 203 R HN 0.107 nan 8.270 nan 0.000 0.433 204 Q N -0.046 119.789 119.800 0.059 0.000 2.084 204 Q HA -0.173 4.126 4.340 -0.069 0.000 0.202 204 Q C 1.744 177.798 176.000 0.089 0.000 0.978 204 Q CA 1.731 57.564 55.803 0.050 0.000 0.844 204 Q CB -0.522 28.237 28.738 0.035 0.000 0.898 204 Q HN 0.362 nan 8.270 nan 0.000 0.426 205 F N 0.570 120.492 119.950 -0.046 0.000 2.126 205 F HA -0.200 4.286 4.527 -0.069 0.000 0.299 205 F C 1.989 177.774 175.800 -0.026 0.000 1.096 205 F CA 1.653 59.627 58.000 -0.044 0.000 1.255 205 F CB -0.188 38.797 39.000 -0.024 0.000 0.997 205 F HN 0.173 nan 8.300 nan 0.000 0.479 206 Q N 0.019 119.831 119.800 0.019 0.000 2.172 206 Q HA -0.189 4.110 4.340 -0.069 0.000 0.200 206 Q C 2.256 178.204 176.000 -0.086 0.000 0.964 206 Q CA 1.467 57.228 55.803 -0.071 0.000 0.855 206 Q CB -0.603 28.141 28.738 0.009 0.000 0.918 206 Q HN 0.614 nan 8.270 nan 0.000 0.444 207 E N 0.709 120.879 120.200 -0.050 0.000 2.072 207 E HA -0.181 4.128 4.350 -0.069 0.000 0.191 207 E C 0.993 177.536 176.600 -0.094 0.000 0.985 207 E CA 0.985 57.353 56.400 -0.053 0.000 0.801 207 E CB 0.245 29.928 29.700 -0.028 0.000 0.750 207 E HN 0.196 nan 8.360 nan 0.000 0.452 208 D N 0.479 120.800 120.400 -0.131 0.000 2.144 208 D HA -0.124 4.475 4.640 -0.069 0.000 0.200 208 D C 2.033 178.169 176.300 -0.273 0.000 0.978 208 D CA 0.779 54.658 54.000 -0.202 0.000 0.833 208 D CB -0.138 40.541 40.800 -0.201 0.000 0.961 208 D HN 0.302 nan 8.370 nan 0.000 0.470 209 I N 0.617 121.007 120.570 -0.301 0.000 2.163 209 I HA -0.293 3.836 4.170 -0.069 0.000 0.243 209 I C 2.537 178.576 176.117 -0.129 0.000 1.085 209 I CA 1.056 62.214 61.300 -0.237 0.000 1.347 209 I CB -0.159 37.689 38.000 -0.254 0.000 1.044 209 I HN -0.079 nan 8.210 nan 0.000 0.408 210 K N 0.488 120.826 120.400 -0.103 0.000 2.057 210 K HA -0.096 4.183 4.320 -0.069 0.000 0.206 210 K C 1.981 178.557 176.600 -0.039 0.000 1.050 210 K CA 1.279 57.533 56.287 -0.056 0.000 0.935 210 K CB -0.655 31.820 32.500 -0.042 0.000 0.715 210 K HN 0.266 nan 8.250 nan 0.000 0.439 211 V N 1.275 121.154 119.914 -0.058 0.000 2.287 211 V HA -0.280 3.799 4.120 -0.069 0.000 0.248 211 V C 2.545 178.651 176.094 0.019 0.000 1.053 211 V CA 2.536 64.825 62.300 -0.018 0.000 1.027 211 V CB -0.490 31.306 31.823 -0.045 0.000 0.646 211 V HN 0.478 nan 8.190 nan 0.000 0.447 212 M N 0.034 119.572 119.600 -0.104 0.000 2.067 212 M HA -0.172 4.266 4.480 -0.069 0.000 0.260 212 M C 2.177 178.552 176.300 0.125 0.000 1.069 212 M CA 1.927 57.207 55.300 -0.034 0.000 1.117 212 M CB -0.699 31.742 32.600 -0.266 0.000 1.334 212 M HN 0.407 nan 8.290 nan 0.000 0.407 213 N N 0.647 119.358 118.700 0.018 0.000 2.120 213 N HA -0.145 4.554 4.740 -0.069 0.000 0.188 213 N C 1.209 176.715 175.510 -0.005 0.000 1.024 213 N CA 1.322 54.363 53.050 -0.014 0.000 0.852 213 N CB -0.738 37.718 38.487 -0.051 0.000 1.003 213 N HN 0.311 nan 8.380 nan 0.000 0.424 214 D N 0.839 121.247 120.400 0.014 0.000 2.104 214 D HA -0.123 4.475 4.640 -0.069 0.000 0.194 214 D C 2.078 178.394 176.300 0.027 0.000 0.994 214 D CA 0.518 54.527 54.000 0.016 0.000 0.830 214 D CB -0.410 40.404 40.800 0.023 0.000 0.959 214 D HN 0.126 nan 8.370 nan 0.000 0.452 215 L N 0.560 121.831 121.223 0.080 0.000 2.017 215 L HA -0.142 4.157 4.340 -0.069 0.000 0.208 215 L C 2.272 179.114 176.870 -0.046 0.000 1.073 215 L CA 1.345 56.209 54.840 0.040 0.000 0.745 215 L CB -0.425 41.710 42.059 0.127 0.000 0.894 215 L HN -0.113 nan 8.230 nan 0.000 0.432 216 V N -0.160 119.726 119.914 -0.047 0.000 2.358 216 V HA -0.257 3.821 4.120 -0.069 0.000 0.246 216 V C 2.260 178.278 176.094 -0.126 0.000 1.047 216 V CA 1.823 64.021 62.300 -0.171 0.000 1.035 216 V CB -0.889 30.792 31.823 -0.238 0.000 0.658 216 V HN 0.441 nan 8.190 nan 0.000 0.452 217 D N 0.069 120.415 120.400 -0.091 0.000 2.123 217 D HA -0.163 4.436 4.640 -0.069 0.000 0.196 217 D C 2.272 178.542 176.300 -0.051 0.000 0.992 217 D CA 1.631 55.583 54.000 -0.080 0.000 0.833 217 D CB -0.262 40.496 40.800 -0.071 0.000 0.954 217 D HN 0.333 nan 8.370 nan 0.000 0.455 218 K N 0.401 120.780 120.400 -0.034 0.000 2.026 218 K HA -0.078 4.200 4.320 -0.069 0.000 0.208 218 K C 2.373 178.967 176.600 -0.009 0.000 1.048 218 K CA 0.547 56.825 56.287 -0.016 0.000 0.929 218 K CB -0.826 31.672 32.500 -0.003 0.000 0.713 218 K HN 0.241 nan 8.250 nan 0.000 0.439 219 I N 0.302 120.863 120.570 -0.015 0.000 2.208 219 I HA -0.222 3.907 4.170 -0.069 0.000 0.245 219 I C 2.376 178.506 176.117 0.022 0.000 1.097 219 I CA 1.740 63.055 61.300 0.025 0.000 1.363 219 I CB -0.274 37.786 38.000 0.100 0.000 1.051 219 I HN 0.219 nan 8.210 nan 0.000 0.413 220 I N 0.456 121.020 120.570 -0.011 0.000 2.179 220 I HA -0.309 3.820 4.170 -0.069 0.000 0.242 220 I C 2.744 178.854 176.117 -0.012 0.000 1.088 220 I CA 1.430 62.719 61.300 -0.018 0.000 1.357 220 I CB -0.486 37.482 38.000 -0.053 0.000 1.051 220 I HN 0.200 nan 8.210 nan 0.000 0.409 221 A N 0.450 123.260 122.820 -0.016 0.000 1.933 221 A HA -0.223 4.055 4.320 -0.069 0.000 0.218 221 A C 1.932 179.515 177.584 -0.002 0.000 1.175 221 A CA 1.956 53.986 52.037 -0.011 0.000 0.628 221 A CB -0.551 18.441 19.000 -0.013 0.000 0.814 221 A HN 0.364 nan 8.150 nan 0.000 0.444 222 D N -0.630 119.772 120.400 0.004 0.000 2.117 222 D HA -0.147 4.451 4.640 -0.069 0.000 0.197 222 D C 2.086 178.390 176.300 0.007 0.000 0.987 222 D CA 1.500 55.505 54.000 0.008 0.000 0.829 222 D CB -0.296 40.514 40.800 0.016 0.000 0.961 222 D HN 0.357 nan 8.370 nan 0.000 0.460 223 R N 1.528 122.035 120.500 0.011 0.000 2.081 223 R HA -0.054 4.245 4.340 -0.069 0.000 0.235 223 R C 1.922 178.224 176.300 0.003 0.000 1.131 223 R CA 1.335 57.441 56.100 0.009 0.000 0.960 223 R CB -0.117 30.193 30.300 0.016 0.000 0.856 223 R HN 0.069 nan 8.270 nan 0.000 0.436 224 K N -0.403 119.998 120.400 0.002 0.000 2.097 224 K HA -0.053 4.226 4.320 -0.069 0.000 0.206 224 K C 2.060 178.660 176.600 -0.001 0.000 1.049 224 K CA 1.355 57.642 56.287 -0.000 0.000 0.933 224 K CB -0.209 32.289 32.500 -0.002 0.000 0.717 224 K HN 0.254 nan 8.250 nan 0.000 0.442 225 A N 1.652 124.472 122.820 -0.001 0.000 1.877 225 A HA -0.201 4.078 4.320 -0.069 0.000 0.216 225 A C 2.266 179.849 177.584 -0.002 0.000 1.186 225 A CA 2.269 54.305 52.037 -0.001 0.000 0.620 225 A CB -0.752 18.247 19.000 -0.001 0.000 0.822 225 A HN 0.408 nan 8.150 nan 0.000 0.443 226 S N -1.746 113.953 115.700 -0.002 0.000 2.402 226 S HA 0.262 4.690 4.470 -0.069 0.000 0.229 226 S C 1.701 176.298 174.600 -0.004 0.000 1.021 226 S CA 1.431 59.629 58.200 -0.004 0.000 0.974 226 S CB -0.688 62.509 63.200 -0.005 0.000 0.800 226 S HN 2.042 nan 8.310 nan 0.000 0.484 227 G N 1.787 110.585 108.800 -0.003 0.000 2.159 227 G HA2 -0.294 3.625 3.960 -0.069 0.000 0.256 227 G HA3 -0.294 3.625 3.960 -0.069 0.000 0.256 227 G C -0.174 174.722 174.900 -0.007 0.000 0.977 227 G CA 0.260 45.358 45.100 -0.004 0.000 0.652 227 G HN 0.957 nan 8.290 nan 0.000 0.531 228 E N 0.527 120.722 120.200 -0.008 0.000 2.354 228 E HA 0.513 4.821 4.350 -0.069 0.000 0.269 228 E C -0.417 176.173 176.600 -0.016 0.000 1.036 228 E CA -0.452 55.940 56.400 -0.013 0.000 0.876 228 E CB 0.790 30.481 29.700 -0.015 0.000 1.009 228 E HN 0.224 nan 8.360 nan 0.000 0.416 229 Q N 2.189 121.977 119.800 -0.020 0.000 2.325 229 Q HA 0.309 4.608 4.340 -0.069 0.000 0.262 229 Q C -0.696 175.281 176.000 -0.038 0.000 0.968 229 Q CA -0.484 55.302 55.803 -0.028 0.000 0.877 229 Q CB 1.832 30.558 28.738 -0.021 0.000 1.253 229 Q HN 0.716 nan 8.270 nan 0.000 0.448 230 S N 0.655 116.322 115.700 -0.054 0.000 2.841 230 S HA 0.434 4.863 4.470 -0.069 0.000 0.318 230 S C -0.000 174.548 174.600 -0.087 0.000 1.127 230 S CA -0.830 57.337 58.200 -0.055 0.000 0.883 230 S CB 0.982 64.158 63.200 -0.040 0.000 1.271 230 S HN 0.411 nan 8.310 nan 0.000 0.567 231 D N 1.760 122.123 120.400 -0.061 0.000 2.325 231 D HA 0.135 4.734 4.640 -0.069 0.000 0.234 231 D C -0.219 176.076 176.300 -0.008 0.000 1.122 231 D CA 0.205 54.164 54.000 -0.068 0.000 0.850 231 D CB -0.349 40.432 40.800 -0.031 0.000 0.921 231 D HN 0.599 nan 8.370 nan 0.000 0.513 232 D N -0.785 119.582 120.400 -0.054 0.000 2.387 232 D HA 0.083 4.682 4.640 -0.069 0.000 0.255 232 D C 1.449 177.673 176.300 -0.126 0.000 1.081 232 D CA -0.737 53.281 54.000 0.030 0.000 0.994 232 D CB 1.130 41.953 40.800 0.039 0.000 1.127 232 D HN -0.106 nan 8.370 nan 0.000 0.513 233 L N -0.451 120.783 121.223 0.018 0.000 2.201 233 L HA -0.111 4.188 4.340 -0.069 0.000 0.212 233 L C 2.238 179.167 176.870 0.099 0.000 1.105 233 L CA 0.528 55.413 54.840 0.076 0.000 0.775 233 L CB -0.429 41.622 42.059 -0.013 0.000 0.913 233 L HN 0.377 nan 8.230 nan 0.000 0.440 234 L N -0.761 120.512 121.223 0.083 0.000 2.046 234 L HA -0.166 4.132 4.340 -0.069 0.000 0.208 234 L C 2.359 179.242 176.870 0.023 0.000 1.077 234 L CA 2.026 56.912 54.840 0.076 0.000 0.747 234 L CB -0.826 41.294 42.059 0.100 0.000 0.896 234 L HN 0.085 nan 8.230 nan 0.000 0.432 235 T N -1.082 113.437 114.554 -0.058 0.000 2.746 235 T HA -0.199 4.110 4.350 -0.069 0.000 0.267 235 T C 1.646 176.337 174.700 -0.015 0.000 1.039 235 T CA 1.919 63.974 62.100 -0.075 0.000 1.142 235 T CB -0.492 68.280 68.868 -0.159 0.000 0.866 235 T HN 0.605 nan 8.240 nan 0.000 0.444 236 H N 0.493 119.588 119.070 0.041 0.000 2.321 236 H HA 0.033 4.547 4.556 -0.069 0.000 0.300 236 H C 2.388 177.737 175.328 0.035 0.000 1.087 236 H CA 1.300 57.365 56.048 0.028 0.000 1.319 236 H CB -0.150 29.626 29.762 0.023 0.000 1.379 236 H HN 0.252 nan 8.280 nan 0.000 0.501 237 M N 0.153 119.857 119.600 0.172 0.000 2.229 237 M HA -0.116 4.322 4.480 -0.069 0.000 0.264 237 M C 1.933 178.276 176.300 0.071 0.000 1.063 237 M CA 1.172 56.542 55.300 0.117 0.000 1.114 237 M CB -0.016 32.654 32.600 0.116 0.000 1.387 237 M HN 0.243 nan 8.290 nan 0.000 0.420 238 L N -0.104 121.152 121.223 0.056 0.000 2.156 238 L HA -0.153 4.145 4.340 -0.069 0.000 0.208 238 L C 1.748 178.640 176.870 0.037 0.000 1.095 238 L CA 0.732 55.593 54.840 0.034 0.000 0.770 238 L CB -0.539 41.532 42.059 0.020 0.000 0.914 238 L HN 0.315 nan 8.230 nan 0.000 0.439 239 N N -0.111 118.619 118.700 0.050 0.000 2.373 239 N HA 0.040 4.739 4.740 -0.069 0.000 0.181 239 N C 0.822 176.359 175.510 0.045 0.000 1.082 239 N CA 0.396 53.473 53.050 0.046 0.000 0.885 239 N CB 0.073 38.592 38.487 0.054 0.000 0.977 239 N HN 0.181 nan 8.380 nan 0.000 0.462 240 G N 0.490 109.323 108.800 0.054 0.000 2.503 240 G HA2 0.354 4.273 3.960 -0.069 0.000 0.257 240 G HA3 0.354 4.273 3.960 -0.069 0.000 0.257 240 G C -0.197 174.719 174.900 0.026 0.000 1.214 240 G CA -0.178 44.946 45.100 0.039 0.000 0.839 240 G HN -0.115 nan 8.290 nan 0.000 0.559 241 K N 1.122 121.533 120.400 0.017 0.000 2.507 241 K HA 0.212 4.491 4.320 -0.069 0.000 0.251 241 K C -1.207 175.398 176.600 0.009 0.000 0.943 241 K CA -0.906 55.389 56.287 0.014 0.000 0.794 241 K CB 2.410 34.918 32.500 0.013 0.000 1.188 241 K HN 0.666 nan 8.250 nan 0.000 0.428 242 D N 4.239 124.645 120.400 0.010 0.000 2.401 242 D HA 0.055 4.654 4.640 -0.069 0.000 0.254 242 D C -1.172 175.135 176.300 0.012 0.000 1.192 242 D CA -1.555 52.449 54.000 0.007 0.000 0.885 242 D CB 1.069 41.875 40.800 0.010 0.000 1.147 242 D HN 0.134 nan 8.370 nan 0.000 0.478 243 P HA -0.178 nan 4.420 nan 0.000 0.219 243 P C 0.987 178.300 177.300 0.021 0.000 1.146 243 P CA 0.995 64.103 63.100 0.014 0.000 0.808 243 P CB 0.343 32.050 31.700 0.012 0.000 0.779 244 E N 0.534 120.750 120.200 0.027 0.000 2.005 244 E HA -0.122 4.186 4.350 -0.069 0.000 0.191 244 E C 1.939 178.558 176.600 0.031 0.000 0.987 244 E CA 2.181 58.601 56.400 0.034 0.000 0.814 244 E CB -0.542 29.185 29.700 0.046 0.000 0.772 244 E HN 0.183 nan 8.360 nan 0.000 0.453 245 T N -2.971 111.602 114.554 0.032 0.000 2.995 245 T HA 0.136 4.444 4.350 -0.069 0.000 0.269 245 T C 1.600 176.315 174.700 0.025 0.000 1.091 245 T CA 0.932 63.050 62.100 0.030 0.000 1.128 245 T CB -0.096 68.792 68.868 0.033 0.000 0.891 245 T HN 0.531 nan 8.240 nan 0.000 0.492 246 G N 1.192 110.005 108.800 0.022 0.000 2.179 246 G HA2 -0.234 3.685 3.960 -0.069 0.000 0.260 246 G HA3 -0.234 3.685 3.960 -0.069 0.000 0.260 246 G C -0.227 174.684 174.900 0.018 0.000 0.977 246 G CA 0.215 45.326 45.100 0.018 0.000 0.641 246 G HN 0.680 nan 8.290 nan 0.000 0.533 247 E N 1.322 121.534 120.200 0.020 0.000 2.283 247 E HA 0.509 4.818 4.350 -0.069 0.000 0.271 247 E C -2.179 174.433 176.600 0.019 0.000 1.031 247 E CA -1.900 54.512 56.400 0.020 0.000 0.868 247 E CB 1.761 31.475 29.700 0.023 0.000 1.094 247 E HN 0.243 nan 8.360 nan 0.000 0.401 248 P HA 0.158 nan 4.420 nan 0.000 0.279 248 P C -0.602 176.712 177.300 0.022 0.000 1.276 248 P CA -0.453 62.659 63.100 0.021 0.000 0.801 248 P CB 0.726 32.437 31.700 0.019 0.000 1.127 249 L N 0.651 121.889 121.223 0.025 0.000 2.395 249 L HA 0.235 4.533 4.340 -0.069 0.000 0.269 249 L C 1.042 177.922 176.870 0.018 0.000 1.133 249 L CA -0.450 54.405 54.840 0.025 0.000 0.812 249 L CB -0.075 42.001 42.059 0.029 0.000 1.125 249 L HN 0.458 nan 8.230 nan 0.000 0.452 250 D N -0.458 119.952 120.400 0.017 0.000 2.411 250 D HA 0.049 4.648 4.640 -0.069 0.000 0.251 250 D C 0.247 176.540 176.300 -0.012 0.000 1.201 250 D CA -0.565 53.438 54.000 0.006 0.000 0.996 250 D CB 0.766 41.572 40.800 0.010 0.000 1.101 250 D HN 0.378 nan 8.370 nan 0.000 0.504 251 D N -0.814 119.570 120.400 -0.027 0.000 2.144 251 D HA -0.165 4.433 4.640 -0.069 0.000 0.199 251 D C 1.544 177.786 176.300 -0.096 0.000 0.984 251 D CA 1.000 54.969 54.000 -0.052 0.000 0.834 251 D CB -0.184 40.587 40.800 -0.048 0.000 0.955 251 D HN 0.707 nan 8.370 nan 0.000 0.465 252 E N 0.492 120.634 120.200 -0.096 0.000 2.047 252 E HA -0.176 4.132 4.350 -0.069 0.000 0.191 252 E C 1.928 178.409 176.600 -0.199 0.000 0.987 252 E CA 0.706 56.996 56.400 -0.184 0.000 0.799 252 E CB 0.018 29.654 29.700 -0.107 0.000 0.752 252 E HN 0.122 nan 8.360 nan 0.000 0.449 253 N N 0.606 119.289 118.700 -0.027 0.000 2.188 253 N HA -0.147 4.552 4.740 -0.069 0.000 0.184 253 N C 2.052 177.558 175.510 -0.006 0.000 1.018 253 N CA 0.930 54.020 53.050 0.068 0.000 0.858 253 N CB -0.062 38.474 38.487 0.083 0.000 0.989 253 N HN 0.244 nan 8.380 nan 0.000 0.426 254 I N 1.140 121.678 120.570 -0.053 0.000 2.226 254 I HA -0.246 3.883 4.170 -0.069 0.000 0.245 254 I C 2.803 178.828 176.117 -0.153 0.000 1.100 254 I CA 0.749 62.005 61.300 -0.073 0.000 1.374 254 I CB -0.332 37.636 38.000 -0.053 0.000 1.057 254 I HN 0.181 nan 8.210 nan 0.000 0.413 255 R N 0.765 121.142 120.500 -0.204 0.000 2.083 255 R HA -0.228 4.070 4.340 -0.069 0.000 0.237 255 R C 2.374 178.532 176.300 -0.236 0.000 1.137 255 R CA 1.999 57.934 56.100 -0.274 0.000 0.951 255 R CB -0.518 29.572 30.300 -0.351 0.000 0.851 255 R HN 0.260 nan 8.270 nan 0.000 0.434 256 Y N 1.312 121.543 120.300 -0.116 0.000 2.224 256 Y HA -0.148 4.360 4.550 -0.069 0.000 0.289 256 Y C 2.717 178.490 175.900 -0.211 0.000 1.146 256 Y CA 1.046 59.079 58.100 -0.112 0.000 1.182 256 Y CB -0.437 37.983 38.460 -0.066 0.000 0.983 256 Y HN 0.116 nan 8.280 nan 0.000 0.524 257 Q N 0.036 119.743 119.800 -0.155 0.000 2.084 257 Q HA -0.156 4.143 4.340 -0.069 0.000 0.202 257 Q C 2.490 177.871 176.000 -1.031 0.000 0.978 257 Q CA 1.425 56.913 55.803 -0.526 0.000 0.844 257 Q CB -0.661 27.833 28.738 -0.406 0.000 0.898 257 Q HN 0.543 nan 8.270 nan 0.000 0.426 258 I N 0.270 120.460 120.570 -0.634 0.000 2.142 258 I HA -0.270 3.859 4.170 -0.069 0.000 0.240 258 I C 2.293 178.224 176.117 -0.310 0.000 1.078 258 I CA 0.948 61.935 61.300 -0.522 0.000 1.343 258 I CB -0.285 37.404 38.000 -0.519 0.000 1.046 258 I HN 0.112 nan 8.210 nan 0.000 0.405 259 I N 0.310 120.784 120.570 -0.160 0.000 2.208 259 I HA -0.314 3.814 4.170 -0.069 0.000 0.245 259 I C 2.518 178.668 176.117 0.054 0.000 1.097 259 I CA 1.644 62.985 61.300 0.069 0.000 1.363 259 I CB -0.546 37.561 38.000 0.178 0.000 1.051 259 I HN 0.261 nan 8.210 nan 0.000 0.413 260 T N 0.931 115.443 114.554 -0.070 0.000 2.746 260 T HA -0.144 4.165 4.350 -0.069 0.000 0.267 260 T C 1.605 176.298 174.700 -0.012 0.000 1.039 260 T CA 1.396 63.464 62.100 -0.054 0.000 1.142 260 T CB -0.313 68.501 68.868 -0.090 0.000 0.866 260 T HN 0.108 nan 8.240 nan 0.000 0.444 261 F N 1.315 121.274 119.950 0.015 0.000 2.126 261 F HA 0.026 4.511 4.527 -0.070 0.000 0.299 261 F C 2.141 177.949 175.800 0.013 0.000 1.096 261 F CA 0.197 58.184 58.000 -0.021 0.000 1.255 261 F CB -1.390 37.607 39.000 -0.005 0.000 0.997 261 F HN 0.121 nan 8.300 nan 0.000 0.479 262 L N -0.684 120.683 121.223 0.240 0.000 1.994 262 L HA -0.228 4.071 4.340 -0.069 0.000 0.208 262 L C 2.535 179.531 176.870 0.211 0.000 1.071 262 L CA 0.808 55.778 54.840 0.217 0.000 0.745 262 L CB -0.659 41.540 42.059 0.234 0.000 0.892 262 L HN 0.035 nan 8.230 nan 0.000 0.431 263 I N 0.237 120.917 120.570 0.184 0.000 2.142 263 I HA -0.269 3.860 4.170 -0.069 0.000 0.240 263 I C 2.728 178.934 176.117 0.148 0.000 1.078 263 I CA 1.888 63.328 61.300 0.233 0.000 1.343 263 I CB -1.483 36.659 38.000 0.237 0.000 1.046 263 I HN 0.211 nan 8.210 nan 0.000 0.405 264 A N 0.062 122.820 122.820 -0.103 0.000 2.016 264 A HA 0.084 4.362 4.320 -0.069 0.000 0.217 264 A C 2.375 179.877 177.584 -0.137 0.000 1.162 264 A CA 1.463 53.270 52.037 -0.384 0.000 0.662 264 A CB -0.937 17.646 19.000 -0.695 0.000 0.812 264 A HN 0.447 nan 8.150 nan 0.000 0.450 265 G N -0.900 107.909 108.800 0.015 0.000 2.656 265 G HA2 0.071 3.990 3.960 -0.069 0.000 0.211 265 G HA3 0.071 3.990 3.960 -0.069 0.000 0.211 265 G C 1.256 176.237 174.900 0.136 0.000 1.137 265 G CA 0.886 46.021 45.100 0.060 0.000 0.802 265 G HN 0.873 nan 8.290 nan 0.000 0.527 266 H N -0.520 118.595 119.070 0.075 0.000 2.326 266 H HA 0.197 4.712 4.556 -0.068 0.000 0.301 266 H C 2.135 177.515 175.328 0.087 0.000 1.081 266 H CA 1.527 57.633 56.048 0.096 0.000 1.334 266 H CB -0.109 29.705 29.762 0.087 0.000 1.385 266 H HN 0.355 nan 8.280 nan 0.000 0.504 267 E N 0.069 119.837 120.200 -0.719 0.000 2.122 267 E HA -0.091 4.218 4.350 -0.069 0.000 0.190 267 E C 2.256 178.771 176.600 -0.142 0.000 0.977 267 E CA 1.161 57.257 56.400 -0.505 0.000 0.820 267 E CB 0.193 29.517 29.700 -0.628 0.000 0.770 267 E HN 0.750 nan 8.360 nan 0.000 0.462 268 T N -1.258 113.253 114.554 -0.071 0.000 2.684 268 T HA -0.160 4.149 4.350 -0.069 0.000 0.267 268 T C 2.002 176.753 174.700 0.084 0.000 1.036 268 T CA 1.821 63.945 62.100 0.040 0.000 1.148 268 T CB -0.772 68.120 68.868 0.040 0.000 0.863 268 T HN -0.008 nan 8.240 nan 0.000 0.436 269 T N 2.450 117.053 114.554 0.081 0.000 2.812 269 T HA -0.070 4.239 4.350 -0.069 0.000 0.264 269 T C 2.551 177.323 174.700 0.119 0.000 1.042 269 T CA 1.550 63.726 62.100 0.126 0.000 1.140 269 T CB -0.585 68.382 68.868 0.166 0.000 0.870 269 T HN 0.728 nan 8.240 nan 0.000 0.445 270 S N 1.489 117.238 115.700 0.081 0.000 2.402 270 S HA 0.024 4.453 4.470 -0.069 0.000 0.229 270 S C 2.407 177.048 174.600 0.068 0.000 1.021 270 S CA 1.078 59.325 58.200 0.079 0.000 0.974 270 S CB -1.077 62.157 63.200 0.057 0.000 0.800 270 S HN 0.500 nan 8.310 nan 0.000 0.484 271 G N 2.181 111.017 108.800 0.060 0.000 2.421 271 G HA2 -0.119 3.800 3.960 -0.069 0.000 0.216 271 G HA3 -0.119 3.800 3.960 -0.069 0.000 0.216 271 G C 1.364 176.402 174.900 0.231 0.000 1.171 271 G CA 1.012 46.154 45.100 0.070 0.000 0.775 271 G HN 0.476 nan 8.290 nan 0.000 0.543 272 L N 0.638 122.025 121.223 0.274 0.000 1.989 272 L HA 0.010 4.309 4.340 -0.069 0.000 0.211 272 L C 2.705 179.741 176.870 0.277 0.000 1.071 272 L CA 1.538 56.571 54.840 0.322 0.000 0.749 272 L CB -0.810 41.385 42.059 0.227 0.000 0.890 272 L HN 0.227 nan 8.230 nan 0.000 0.431 273 L N -0.954 120.386 121.223 0.195 0.000 2.042 273 L HA -0.236 4.063 4.340 -0.069 0.000 0.210 273 L C 2.472 179.452 176.870 0.184 0.000 1.076 273 L CA 1.547 56.493 54.840 0.176 0.000 0.749 273 L CB -0.576 41.571 42.059 0.146 0.000 0.893 273 L HN 0.299 nan 8.230 nan 0.000 0.432 274 S N -0.586 115.196 115.700 0.137 0.000 2.356 274 S HA -0.130 4.299 4.470 -0.069 0.000 0.223 274 S C 1.755 176.377 174.600 0.038 0.000 1.032 274 S CA 1.253 59.515 58.200 0.105 0.000 1.005 274 S CB -0.387 62.776 63.200 -0.061 0.000 0.867 274 S HN 0.216 nan 8.310 nan 0.000 0.449 275 F N 1.990 121.988 119.950 0.079 0.000 2.186 275 F HA 0.018 4.497 4.527 -0.080 0.000 0.299 275 F C 2.575 178.489 175.800 0.190 0.000 1.090 275 F CA 0.537 58.570 58.000 0.055 0.000 1.307 275 F CB -0.967 38.158 39.000 0.210 0.000 1.019 275 F HN 0.169 nan 8.300 nan 0.000 0.489 276 A N -0.143 122.926 122.820 0.414 0.000 1.902 276 A HA -0.178 4.101 4.320 -0.069 0.000 0.217 276 A C 2.134 179.828 177.584 0.183 0.000 1.181 276 A CA 1.638 53.871 52.037 0.326 0.000 0.623 276 A CB -1.134 18.024 19.000 0.265 0.000 0.818 276 A HN 0.345 nan 8.150 nan 0.000 0.443 277 L N -1.455 119.866 121.223 0.164 0.000 2.083 277 L HA -0.139 4.159 4.340 -0.069 0.000 0.209 277 L C 2.301 179.224 176.870 0.089 0.000 1.083 277 L CA 2.400 57.309 54.840 0.115 0.000 0.752 277 L CB -0.876 41.274 42.059 0.152 0.000 0.899 277 L HN 0.552 nan 8.230 nan 0.000 0.433 278 Y N -0.650 119.498 120.300 -0.252 0.000 2.097 278 Y HA -0.322 4.184 4.550 -0.074 0.000 0.282 278 Y C 2.138 177.761 175.900 -0.462 0.000 1.152 278 Y CA 2.122 59.763 58.100 -0.765 0.000 1.136 278 Y CB -0.647 37.096 38.460 -1.195 0.000 0.975 278 Y HN 0.181 nan 8.280 nan 0.000 0.498 279 F N 0.181 119.921 119.950 -0.349 0.000 2.171 279 F HA -0.212 4.277 4.527 -0.063 0.000 0.300 279 F C 2.224 177.658 175.800 -0.611 0.000 1.090 279 F CA 1.407 58.962 58.000 -0.743 0.000 1.293 279 F CB -0.769 37.352 39.000 -1.464 0.000 1.013 279 F HN 0.104 nan 8.300 nan 0.000 0.486 280 L N -0.316 120.803 121.223 -0.173 0.000 2.027 280 L HA -0.163 4.136 4.340 -0.069 0.000 0.206 280 L C 2.515 179.368 176.870 -0.028 0.000 1.074 280 L CA 1.301 56.127 54.840 -0.023 0.000 0.745 280 L CB -0.918 41.170 42.059 0.048 0.000 0.898 280 L HN 0.133 nan 8.230 nan 0.000 0.433 281 V N -3.371 116.504 119.914 -0.065 0.000 2.759 281 V HA -0.121 3.958 4.120 -0.069 0.000 0.256 281 V C 2.172 178.214 176.094 -0.087 0.000 1.080 281 V CA 1.190 63.482 62.300 -0.013 0.000 1.101 281 V CB -0.633 31.238 31.823 0.080 0.000 0.698 281 V HN 0.314 nan 8.190 nan 0.000 0.477 282 K N 1.160 121.419 120.400 -0.234 0.000 2.418 282 K HA 0.163 4.442 4.320 -0.069 0.000 0.195 282 K C 0.303 176.858 176.600 -0.074 0.000 1.035 282 K CA 0.340 56.496 56.287 -0.219 0.000 1.003 282 K CB -0.211 32.023 32.500 -0.443 0.000 0.793 282 K HN 0.590 nan 8.250 nan 0.000 0.494 283 N N 1.090 119.778 118.700 -0.020 0.000 2.752 283 N HA 0.134 4.833 4.740 -0.069 0.000 0.260 283 N C -2.423 173.132 175.510 0.076 0.000 1.562 283 N CA -1.082 52.012 53.050 0.073 0.000 0.788 283 N CB 1.744 40.352 38.487 0.202 0.000 1.192 283 N HN -0.179 nan 8.380 nan 0.000 0.503 284 P HA -0.161 nan 4.420 nan 0.000 0.217 284 P C 1.165 178.479 177.300 0.022 0.000 1.148 284 P CA 1.360 64.450 63.100 -0.016 0.000 0.828 284 P CB 0.259 31.900 31.700 -0.098 0.000 0.783 285 H N -1.218 117.918 119.070 0.111 0.000 2.389 285 H HA -0.005 4.510 4.556 -0.068 0.000 0.299 285 H C 1.976 177.389 175.328 0.141 0.000 1.081 285 H CA 1.001 57.112 56.048 0.104 0.000 1.345 285 H CB -0.891 28.925 29.762 0.090 0.000 1.393 285 H HN -0.008 nan 8.280 nan 0.000 0.520 286 V N 1.140 121.245 119.914 0.318 0.000 2.379 286 V HA -0.172 3.906 4.120 -0.069 0.000 0.245 286 V C 2.767 179.073 176.094 0.353 0.000 1.044 286 V CA 1.003 63.530 62.300 0.379 0.000 1.036 286 V CB -0.650 31.442 31.823 0.449 0.000 0.664 286 V HN 0.208 nan 8.190 nan 0.000 0.453 287 L N -0.164 121.215 121.223 0.260 0.000 2.012 287 L HA -0.299 4.000 4.340 -0.069 0.000 0.210 287 L C 2.711 179.706 176.870 0.208 0.000 1.073 287 L CA 2.315 57.289 54.840 0.223 0.000 0.748 287 L CB -0.311 41.852 42.059 0.172 0.000 0.891 287 L HN 0.414 nan 8.230 nan 0.000 0.431 288 Q N -0.048 119.857 119.800 0.176 0.000 2.061 288 Q HA -0.326 3.972 4.340 -0.069 0.000 0.204 288 Q C 2.266 178.330 176.000 0.106 0.000 0.984 288 Q CA 2.319 58.205 55.803 0.137 0.000 0.846 288 Q CB -0.128 28.690 28.738 0.133 0.000 0.902 288 Q HN 0.416 nan 8.270 nan 0.000 0.421 289 K N -0.482 119.971 120.400 0.087 0.000 2.097 289 K HA -0.144 4.135 4.320 -0.069 0.000 0.206 289 K C 1.879 178.481 176.600 0.004 0.000 1.049 289 K CA 1.238 57.490 56.287 -0.058 0.000 0.933 289 K CB -0.226 32.119 32.500 -0.258 0.000 0.717 289 K HN 0.298 nan 8.250 nan 0.000 0.442 290 A N 0.703 123.670 122.820 0.245 0.000 1.929 290 A HA -0.005 4.274 4.320 -0.069 0.000 0.216 290 A C 2.270 179.974 177.584 0.201 0.000 1.176 290 A CA 1.545 53.790 52.037 0.346 0.000 0.628 290 A CB -0.655 18.580 19.000 0.392 0.000 0.816 290 A HN 0.453 nan 8.150 nan 0.000 0.444 291 A N -0.083 122.839 122.820 0.170 0.000 1.969 291 A HA -0.119 4.160 4.320 -0.069 0.000 0.218 291 A C 1.866 179.499 177.584 0.081 0.000 1.169 291 A CA 1.525 53.643 52.037 0.135 0.000 0.635 291 A CB -0.418 18.670 19.000 0.147 0.000 0.810 291 A HN 0.628 nan 8.150 nan 0.000 0.445 292 E N -0.549 119.688 120.200 0.060 0.000 2.107 292 E HA -0.182 4.127 4.350 -0.069 0.000 0.191 292 E C 2.009 178.622 176.600 0.021 0.000 0.982 292 E CA 1.046 57.461 56.400 0.026 0.000 0.809 292 E CB -0.096 29.607 29.700 0.005 0.000 0.756 292 E HN 0.827 nan 8.360 nan 0.000 0.459 293 E N 1.011 121.232 120.200 0.035 0.000 2.051 293 E HA -0.211 4.098 4.350 -0.069 0.000 0.192 293 E C 2.114 178.741 176.600 0.045 0.000 0.991 293 E CA 1.008 57.434 56.400 0.043 0.000 0.799 293 E CB -0.092 29.659 29.700 0.084 0.000 0.748 293 E HN 0.195 nan 8.360 nan 0.000 0.449 294 A N 1.456 124.314 122.820 0.063 0.000 1.892 294 A HA -0.223 4.055 4.320 -0.069 0.000 0.218 294 A C 2.447 180.034 177.584 0.005 0.000 1.188 294 A CA 2.338 54.401 52.037 0.044 0.000 0.631 294 A CB -1.010 18.029 19.000 0.066 0.000 0.822 294 A HN 0.463 nan 8.150 nan 0.000 0.447 295 A N -0.434 122.384 122.820 -0.003 0.000 1.877 295 A HA -0.183 4.096 4.320 -0.069 0.000 0.216 295 A C 2.271 179.843 177.584 -0.020 0.000 1.186 295 A CA 1.932 53.952 52.037 -0.028 0.000 0.620 295 A CB -0.496 18.491 19.000 -0.022 0.000 0.822 295 A HN 0.612 nan 8.150 nan 0.000 0.443 296 R N -0.615 119.882 120.500 -0.006 0.000 2.075 296 R HA -0.057 4.242 4.340 -0.069 0.000 0.232 296 R C 1.847 178.146 176.300 -0.002 0.000 1.126 296 R CA 1.781 57.878 56.100 -0.005 0.000 0.963 296 R CB -0.322 29.977 30.300 -0.000 0.000 0.858 296 R HN 0.284 nan 8.270 nan 0.000 0.435 297 V N 1.317 121.233 119.914 0.004 0.000 2.302 297 V HA -0.075 4.004 4.120 -0.069 0.000 0.243 297 V C 1.407 177.502 176.094 0.003 0.000 1.036 297 V CA 1.035 63.338 62.300 0.006 0.000 1.020 297 V CB -0.172 31.659 31.823 0.013 0.000 0.657 297 V HN 0.249 nan 8.190 nan 0.000 0.453 298 L N 2.264 123.487 121.223 -0.001 0.000 2.391 298 L HA 0.096 4.395 4.340 -0.069 0.000 0.249 298 L C 1.239 178.102 176.870 -0.011 0.000 1.308 298 L CA -0.158 54.682 54.840 0.001 0.000 1.209 298 L CB 0.251 42.310 42.059 0.001 0.000 1.401 298 L HN 0.306 nan 8.230 nan 0.000 0.416 299 V N -3.659 116.254 119.914 -0.003 0.000 3.461 299 V HA 0.098 4.177 4.120 -0.069 0.000 0.267 299 V C 0.614 176.709 176.094 0.002 0.000 1.186 299 V CA 0.423 62.718 62.300 -0.007 0.000 1.154 299 V CB -0.433 31.389 31.823 -0.003 0.000 0.802 299 V HN 0.418 nan 8.190 nan 0.000 0.474 300 D N 0.966 121.376 120.400 0.016 0.000 2.228 300 D HA 0.382 4.981 4.640 -0.069 0.000 0.247 300 D C -1.927 174.399 176.300 0.043 0.000 0.995 300 D CA -1.849 52.167 54.000 0.028 0.000 0.903 300 D CB 1.912 42.734 40.800 0.036 0.000 1.205 300 D HN 0.014 nan 8.370 nan 0.000 0.459 301 P HA -0.077 nan 4.420 nan 0.000 0.219 301 P C 0.090 177.432 177.300 0.070 0.000 1.146 301 P CA 0.820 63.959 63.100 0.066 0.000 0.808 301 P CB 0.414 32.139 31.700 0.041 0.000 0.779 302 V N 1.023 120.975 119.914 0.063 0.000 2.350 302 V HA 0.293 4.372 4.120 -0.069 0.000 0.285 302 V C -2.372 173.784 176.094 0.103 0.000 1.014 302 V CA -2.182 60.161 62.300 0.072 0.000 0.831 302 V CB 1.277 33.137 31.823 0.063 0.000 1.000 302 V HN -0.097 nan 8.190 nan 0.000 0.433 303 P HA 0.154 nan 4.420 nan 0.000 0.266 303 P C -0.016 177.435 177.300 0.252 0.000 1.195 303 P CA 0.239 63.425 63.100 0.145 0.000 0.768 303 P CB 0.515 32.297 31.700 0.137 0.000 0.838 304 S N 2.209 117.989 115.700 0.135 0.000 2.672 304 S HA 0.208 4.637 4.470 -0.069 0.000 0.276 304 S C 0.897 175.374 174.600 -0.206 0.000 1.207 304 S CA -0.440 57.773 58.200 0.022 0.000 1.002 304 S CB 0.389 63.593 63.200 0.008 0.000 0.998 304 S HN 0.494 nan 8.310 nan 0.000 0.542 305 Y N 1.868 121.748 120.300 -0.700 0.000 2.128 305 Y HA -0.123 4.386 4.550 -0.069 0.000 0.284 305 Y C 2.126 177.955 175.900 -0.119 0.000 1.154 305 Y CA 2.005 59.784 58.100 -0.534 0.000 1.149 305 Y CB -0.295 37.911 38.460 -0.423 0.000 0.976 305 Y HN 0.692 nan 8.280 nan 0.000 0.505 306 K N -0.010 120.375 120.400 -0.026 0.000 2.147 306 K HA -0.205 4.074 4.320 -0.069 0.000 0.205 306 K C 2.064 178.609 176.600 -0.092 0.000 1.049 306 K CA 1.746 58.000 56.287 -0.056 0.000 0.936 306 K CB -0.233 32.296 32.500 0.048 0.000 0.722 306 K HN 0.553 nan 8.250 nan 0.000 0.446 307 Q N 0.446 120.210 119.800 -0.060 0.000 2.084 307 Q HA -0.114 4.185 4.340 -0.069 0.000 0.202 307 Q C 2.177 178.141 176.000 -0.060 0.000 0.978 307 Q CA 1.207 56.988 55.803 -0.036 0.000 0.844 307 Q CB -0.111 28.627 28.738 -0.001 0.000 0.898 307 Q HN 0.047 nan 8.270 nan 0.000 0.426 308 V N 1.445 121.304 119.914 -0.092 0.000 2.392 308 V HA -0.263 3.816 4.120 -0.069 0.000 0.249 308 V C 1.999 178.011 176.094 -0.136 0.000 1.059 308 V CA 1.535 63.760 62.300 -0.126 0.000 1.051 308 V CB -0.447 31.242 31.823 -0.224 0.000 0.658 308 V HN 0.274 nan 8.190 nan 0.000 0.455 309 K N -0.233 120.050 120.400 -0.195 0.000 2.280 309 K HA -0.113 4.165 4.320 -0.069 0.000 0.202 309 K C 1.951 178.515 176.600 -0.060 0.000 1.047 309 K CA 0.880 57.079 56.287 -0.147 0.000 0.942 309 K CB -0.254 32.125 32.500 -0.201 0.000 0.739 309 K HN 0.441 nan 8.250 nan 0.000 0.457 310 Q N 0.030 119.804 119.800 -0.044 0.000 2.403 310 Q HA 0.138 4.437 4.340 -0.069 0.000 0.203 310 Q C 0.725 176.732 176.000 0.012 0.000 0.932 310 Q CA 0.161 55.959 55.803 -0.008 0.000 0.945 310 Q CB 0.246 28.982 28.738 -0.005 0.000 1.045 310 Q HN 0.269 nan 8.270 nan 0.000 0.511 311 L N 1.432 122.659 121.223 0.007 0.000 2.533 311 L HA 0.035 4.334 4.340 -0.069 0.000 0.239 311 L C 1.214 178.115 176.870 0.050 0.000 1.376 311 L CA -0.235 54.625 54.840 0.034 0.000 1.240 311 L CB 0.066 42.135 42.059 0.017 0.000 1.487 311 L HN -0.172 nan 8.230 nan 0.000 0.419 312 K N 0.314 120.756 120.400 0.069 0.000 2.026 312 K HA -0.203 4.076 4.320 -0.069 0.000 0.208 312 K C 1.718 178.386 176.600 0.113 0.000 1.048 312 K CA 1.536 57.871 56.287 0.081 0.000 0.929 312 K CB -0.313 32.238 32.500 0.085 0.000 0.713 312 K HN 0.339 nan 8.250 nan 0.000 0.439 313 Y N 0.366 120.683 120.300 0.028 0.000 2.314 313 Y HA -0.132 4.376 4.550 -0.069 0.000 0.293 313 Y C 1.827 177.754 175.900 0.044 0.000 1.129 313 Y CA 0.788 58.910 58.100 0.036 0.000 1.201 313 Y CB -0.060 38.425 38.460 0.042 0.000 0.999 313 Y HN -0.207 nan 8.280 nan 0.000 0.541 314 V N -0.396 119.575 119.914 0.095 0.000 2.343 314 V HA -0.282 3.796 4.120 -0.069 0.000 0.247 314 V C 2.570 178.644 176.094 -0.032 0.000 1.051 314 V CA 2.014 64.337 62.300 0.039 0.000 1.036 314 V CB -1.465 30.404 31.823 0.077 0.000 0.654 314 V HN 0.589 nan 8.190 nan 0.000 0.451 315 G N -0.875 107.910 108.800 -0.025 0.000 2.432 315 G HA2 -0.261 3.657 3.960 -0.069 0.000 0.219 315 G HA3 -0.261 3.657 3.960 -0.069 0.000 0.219 315 G C 1.606 176.425 174.900 -0.135 0.000 1.135 315 G CA 1.050 46.122 45.100 -0.048 0.000 0.767 315 G HN 0.448 nan 8.290 nan 0.000 0.550 316 M N -0.074 119.418 119.600 -0.179 0.000 2.132 316 M HA -0.012 4.427 4.480 -0.069 0.000 0.263 316 M C 2.669 178.744 176.300 -0.375 0.000 1.065 316 M CA 0.750 55.886 55.300 -0.274 0.000 1.122 316 M CB -0.303 32.151 32.600 -0.245 0.000 1.365 316 M HN 0.077 nan 8.290 nan 0.000 0.411 317 V N 0.952 120.646 119.914 -0.366 0.000 2.282 317 V HA -0.287 3.792 4.120 -0.069 0.000 0.249 317 V C 2.295 178.373 176.094 -0.026 0.000 1.057 317 V CA 1.845 64.047 62.300 -0.163 0.000 1.032 317 V CB -0.658 31.164 31.823 -0.002 0.000 0.645 317 V HN 0.454 nan 8.190 nan 0.000 0.447 318 L N -0.300 120.898 121.223 -0.041 0.000 2.046 318 L HA -0.199 4.099 4.340 -0.069 0.000 0.208 318 L C 2.247 179.071 176.870 -0.076 0.000 1.077 318 L CA 2.108 56.958 54.840 0.015 0.000 0.747 318 L CB -0.755 41.322 42.059 0.031 0.000 0.896 318 L HN 0.414 nan 8.230 nan 0.000 0.432 319 N N -0.579 117.934 118.700 -0.312 0.000 2.166 319 N HA -0.232 4.467 4.740 -0.069 0.000 0.186 319 N C 1.790 176.866 175.510 -0.723 0.000 1.019 319 N CA 0.900 53.587 53.050 -0.605 0.000 0.856 319 N CB 0.041 37.707 38.487 -1.368 0.000 0.993 319 N HN 0.226 nan 8.380 nan 0.000 0.426 320 E N 1.086 120.906 120.200 -0.634 0.000 2.106 320 E HA -0.018 4.291 4.350 -0.069 0.000 0.192 320 E C 1.765 178.293 176.600 -0.121 0.000 0.984 320 E CA 1.058 57.243 56.400 -0.359 0.000 0.806 320 E CB -0.158 29.182 29.700 -0.600 0.000 0.750 320 E HN 0.345 nan 8.360 nan 0.000 0.458 321 A N 0.365 123.265 122.820 0.134 0.000 1.930 321 A HA -0.093 4.186 4.320 -0.069 0.000 0.217 321 A C 2.225 179.914 177.584 0.175 0.000 1.175 321 A CA 1.239 53.464 52.037 0.314 0.000 0.627 321 A CB -0.637 18.641 19.000 0.462 0.000 0.815 321 A HN 0.341 nan 8.150 nan 0.000 0.443 322 L N -1.140 120.158 121.223 0.124 0.000 2.201 322 L HA -0.124 4.175 4.340 -0.069 0.000 0.212 322 L C 2.727 179.681 176.870 0.139 0.000 1.105 322 L CA 1.369 56.290 54.840 0.134 0.000 0.775 322 L CB -0.407 41.734 42.059 0.137 0.000 0.913 322 L HN 0.467 nan 8.230 nan 0.000 0.440 323 R N 0.649 121.196 120.500 0.077 0.000 2.062 323 R HA -0.149 4.149 4.340 -0.069 0.000 0.231 323 R C 2.310 178.527 176.300 -0.138 0.000 1.136 323 R CA 1.438 57.466 56.100 -0.120 0.000 0.948 323 R CB -0.168 29.921 30.300 -0.352 0.000 0.845 323 R HN 0.273 nan 8.270 nan 0.000 0.430 324 L N -1.248 119.819 121.223 -0.260 0.000 2.044 324 L HA -0.078 4.221 4.340 -0.069 0.000 0.205 324 L C 0.499 176.877 176.870 -0.819 0.000 1.075 324 L CA 1.008 55.537 54.840 -0.518 0.000 0.747 324 L CB -0.070 41.727 42.059 -0.436 0.000 0.903 324 L HN 0.262 nan 8.230 nan 0.000 0.435 325 W N 0.256 121.471 121.300 -0.142 0.000 2.104 325 W HA 0.286 4.910 4.660 -0.060 0.000 0.291 325 W C -2.256 174.139 176.519 -0.207 0.000 0.936 325 W CA -1.856 55.275 57.345 -0.356 0.000 1.856 325 W CB 0.442 29.202 29.460 -1.167 0.000 2.036 325 W HN -0.186 nan 8.180 nan 0.000 0.393 326 P HA -0.010 nan 4.420 nan 0.000 0.267 326 P C 1.056 178.456 177.300 0.166 0.000 1.209 326 P CA 0.677 63.855 63.100 0.130 0.000 0.763 326 P CB 1.251 33.006 31.700 0.091 0.000 0.816 327 T N 0.105 114.771 114.554 0.187 0.000 3.085 327 T HA 0.119 4.427 4.350 -0.069 0.000 0.263 327 T C 0.960 175.762 174.700 0.171 0.000 1.127 327 T CA 0.394 62.628 62.100 0.223 0.000 1.103 327 T CB -0.057 68.962 68.868 0.251 0.000 0.921 327 T HN 0.460 nan 8.240 nan 0.000 0.510 328 A N 2.890 125.798 122.820 0.146 0.000 2.802 328 A HA 0.593 4.872 4.320 -0.069 0.000 0.344 328 A C -1.507 176.169 177.584 0.153 0.000 1.215 328 A CA -1.500 50.628 52.037 0.151 0.000 0.821 328 A CB 0.980 20.072 19.000 0.152 0.000 1.099 328 A HN 0.207 nan 8.150 nan 0.000 0.479 329 P HA 0.156 nan 4.420 nan 0.000 0.236 329 P C 0.344 177.701 177.300 0.094 0.000 1.177 329 P CA 0.974 64.144 63.100 0.116 0.000 0.773 329 P CB 0.440 32.221 31.700 0.136 0.000 0.878 330 A N 0.167 123.057 122.820 0.116 0.000 2.486 330 A HA 0.678 4.956 4.320 -0.069 0.000 0.300 330 A C -1.139 176.508 177.584 0.104 0.000 1.048 330 A CA -0.625 51.437 52.037 0.041 0.000 0.696 330 A CB 1.026 20.044 19.000 0.029 0.000 1.278 330 A HN 0.081 nan 8.150 nan 0.000 0.405 331 F N 0.092 119.993 119.950 -0.081 0.000 2.599 331 F HA 0.858 5.343 4.527 -0.070 0.000 0.311 331 F C -0.180 175.532 175.800 -0.147 0.000 1.076 331 F CA -1.006 56.934 58.000 -0.100 0.000 0.937 331 F CB 1.685 40.640 39.000 -0.075 0.000 1.282 331 F HN 0.462 nan 8.300 nan 0.000 0.460 332 S N 2.707 118.383 115.700 -0.041 0.000 2.475 332 S HA 0.853 5.282 4.470 -0.069 0.000 0.298 332 S C -1.074 173.508 174.600 -0.030 0.000 1.119 332 S CA -0.497 57.624 58.200 -0.133 0.000 1.085 332 S CB 0.668 63.792 63.200 -0.127 0.000 1.028 332 S HN 0.694 nan 8.310 nan 0.000 0.489 333 L N 4.034 125.213 121.223 -0.072 0.000 2.333 333 L HA 0.681 4.980 4.340 -0.069 0.000 0.263 333 L C -1.195 175.748 176.870 0.121 0.000 1.014 333 L CA -1.207 53.639 54.840 0.009 0.000 0.820 333 L CB 1.865 43.868 42.059 -0.094 0.000 1.352 333 L HN 0.801 nan 8.230 nan 0.000 0.421 334 Y N -0.072 120.312 120.300 0.139 0.000 2.499 334 Y HA 0.855 5.364 4.550 -0.069 0.000 0.347 334 Y C -0.272 175.775 175.900 0.246 0.000 0.987 334 Y CA -1.518 56.675 58.100 0.155 0.000 1.044 334 Y CB 1.297 39.827 38.460 0.116 0.000 1.245 334 Y HN 0.577 nan 8.280 nan 0.000 0.461 335 A N 3.617 126.608 122.820 0.286 0.000 2.454 335 A HA 0.271 4.549 4.320 -0.069 0.000 0.260 335 A C 0.624 178.157 177.584 -0.085 0.000 1.106 335 A CA -0.541 51.482 52.037 -0.023 0.000 0.780 335 A CB 0.265 19.276 19.000 0.018 0.000 1.044 335 A HN 0.998 nan 8.150 nan 0.000 0.498 336 K N 0.732 120.937 120.400 -0.324 0.000 2.155 336 K HA 0.002 4.281 4.320 -0.069 0.000 0.203 336 K C 0.194 176.729 176.600 -0.109 0.000 1.052 336 K CA 1.066 57.255 56.287 -0.164 0.000 0.948 336 K CB 0.120 32.476 32.500 -0.241 0.000 0.728 336 K HN 0.763 nan 8.250 nan 0.000 0.448 337 E N 0.255 120.352 120.200 -0.171 0.000 2.446 337 E HA 0.159 4.467 4.350 -0.069 0.000 0.276 337 E C -1.388 175.141 176.600 -0.118 0.000 0.969 337 E CA -0.758 55.570 56.400 -0.119 0.000 0.800 337 E CB 1.040 30.668 29.700 -0.119 0.000 1.341 337 E HN -0.080 nan 8.360 nan 0.000 0.460 338 D N 0.952 121.310 120.400 -0.071 0.000 2.525 338 D HA 0.247 4.846 4.640 -0.069 0.000 0.235 338 D C -0.096 176.168 176.300 -0.061 0.000 1.137 338 D CA 1.113 55.086 54.000 -0.046 0.000 0.868 338 D CB 0.604 41.386 40.800 -0.029 0.000 1.180 338 D HN 0.244 nan 8.370 nan 0.000 0.465 339 T N 0.173 114.708 114.554 -0.032 0.000 2.749 339 T HA 0.422 4.731 4.350 -0.069 0.000 0.310 339 T C -1.689 173.037 174.700 0.043 0.000 1.496 339 T CA -0.681 61.404 62.100 -0.025 0.000 1.006 339 T CB 0.904 69.711 68.868 -0.102 0.000 1.457 339 T HN -0.020 nan 8.240 nan 0.000 0.497 340 V N 3.247 123.192 119.914 0.052 0.000 2.417 340 V HA 0.610 4.689 4.120 -0.069 0.000 0.291 340 V C -0.327 175.837 176.094 0.117 0.000 1.024 340 V CA -0.805 61.539 62.300 0.074 0.000 0.861 340 V CB 1.320 33.161 31.823 0.030 0.000 0.985 340 V HN 0.779 nan 8.190 nan 0.000 0.436 341 L N 4.752 126.077 121.223 0.169 0.000 2.276 341 L HA 0.710 5.009 4.340 -0.069 0.000 0.286 341 L C 1.121 178.091 176.870 0.167 0.000 1.061 341 L CA 1.224 56.178 54.840 0.191 0.000 0.807 341 L CB 0.791 42.975 42.059 0.209 0.000 1.177 341 L HN 0.955 nan 8.230 nan 0.000 0.429 342 G N 3.418 112.285 108.800 0.112 0.000 2.258 342 G HA2 -0.164 3.755 3.960 -0.069 0.000 0.274 342 G HA3 -0.164 3.755 3.960 -0.069 0.000 0.274 342 G C 1.034 175.938 174.900 0.006 0.000 1.021 342 G CA 0.673 45.817 45.100 0.075 0.000 0.798 342 G HN 1.931 nan 8.290 nan 0.000 0.507 343 G N -1.274 107.521 108.800 -0.008 0.000 2.196 343 G HA2 -0.310 3.608 3.960 -0.069 0.000 0.268 343 G HA3 -0.310 3.608 3.960 -0.069 0.000 0.268 343 G C 0.792 175.618 174.900 -0.125 0.000 0.975 343 G CA 1.558 46.630 45.100 -0.047 0.000 0.648 343 G HN 0.953 nan 8.290 nan 0.000 0.538 344 E N -1.866 118.192 120.200 -0.238 0.000 2.441 344 E HA 0.198 4.507 4.350 -0.069 0.000 0.207 344 E C -0.202 176.033 176.600 -0.609 0.000 0.803 344 E CA -0.039 56.047 56.400 -0.524 0.000 1.240 344 E CB 0.648 29.770 29.700 -0.964 0.000 1.233 344 E HN 0.521 nan 8.360 nan 0.000 0.590 345 Y N 2.392 122.705 120.300 0.022 0.000 2.478 345 Y HA 0.345 4.855 4.550 -0.068 0.000 0.329 345 Y C -2.455 173.463 175.900 0.031 0.000 0.967 345 Y CA -2.930 55.184 58.100 0.024 0.000 1.255 345 Y CB 1.023 39.494 38.460 0.018 0.000 1.103 345 Y HN -0.093 nan 8.280 nan 0.000 0.497 346 P HA 0.204 nan 4.420 nan 0.000 0.276 346 P C -0.686 176.677 177.300 0.105 0.000 1.235 346 P CA 0.089 63.243 63.100 0.091 0.000 0.772 346 P CB 0.987 32.719 31.700 0.053 0.000 0.871 347 L N 2.230 123.511 121.223 0.097 0.000 2.341 347 L HA 0.509 4.807 4.340 -0.069 0.000 0.267 347 L C 0.555 177.460 176.870 0.059 0.000 1.009 347 L CA -0.873 54.025 54.840 0.096 0.000 0.819 347 L CB 2.085 44.236 42.059 0.153 0.000 1.323 347 L HN 0.270 nan 8.230 nan 0.000 0.425 348 E N 0.713 120.944 120.200 0.051 0.000 2.232 348 E HA 0.269 4.577 4.350 -0.069 0.000 0.264 348 E C -0.867 175.751 176.600 0.030 0.000 0.973 348 E CA -1.024 55.392 56.400 0.027 0.000 0.849 348 E CB 1.775 31.487 29.700 0.021 0.000 1.198 348 E HN 0.285 nan 8.360 nan 0.000 0.407 349 K N 0.673 121.077 120.400 0.007 0.000 2.504 349 K HA -0.096 4.183 4.320 -0.069 0.000 0.278 349 K C 0.624 177.251 176.600 0.045 0.000 1.025 349 K CA 1.356 57.651 56.287 0.013 0.000 1.093 349 K CB -0.165 32.327 32.500 -0.014 0.000 0.873 349 K HN 0.791 nan 8.250 nan 0.000 0.483 350 G N 3.384 112.260 108.800 0.127 0.000 2.217 350 G HA2 -0.216 3.703 3.960 -0.069 0.000 0.246 350 G HA3 -0.216 3.703 3.960 -0.069 0.000 0.246 350 G C -0.296 174.683 174.900 0.131 0.000 0.990 350 G CA 0.202 45.371 45.100 0.117 0.000 0.627 350 G HN 0.730 nan 8.290 nan 0.000 0.522 351 D N 1.878 122.352 120.400 0.123 0.000 2.424 351 D HA 0.410 5.008 4.640 -0.069 0.000 0.244 351 D C 0.724 177.104 176.300 0.132 0.000 1.134 351 D CA 0.452 54.513 54.000 0.101 0.000 0.881 351 D CB 0.585 41.437 40.800 0.087 0.000 1.191 351 D HN 0.564 nan 8.370 nan 0.000 0.445 352 E N 1.438 121.677 120.200 0.064 0.000 2.216 352 E HA 0.444 4.753 4.350 -0.069 0.000 0.279 352 E C -0.341 176.198 176.600 -0.102 0.000 0.997 352 E CA -0.602 55.810 56.400 0.020 0.000 0.817 352 E CB 1.506 31.195 29.700 -0.019 0.000 1.096 352 E HN 0.257 nan 8.360 nan 0.000 0.393 353 L N 2.737 123.859 121.223 -0.169 0.000 2.346 353 L HA 0.526 4.825 4.340 -0.069 0.000 0.274 353 L C -0.555 176.057 176.870 -0.431 0.000 1.007 353 L CA -1.039 53.602 54.840 -0.331 0.000 0.818 353 L CB 1.555 43.370 42.059 -0.406 0.000 1.284 353 L HN 0.419 nan 8.230 nan 0.000 0.424 354 M N 2.971 122.209 119.600 -0.603 0.000 2.227 354 M HA 0.428 4.867 4.480 -0.069 0.000 0.335 354 M C -1.145 174.790 176.300 -0.608 0.000 1.053 354 M CA -0.365 54.526 55.300 -0.681 0.000 0.973 354 M CB 1.671 33.624 32.600 -1.078 0.000 1.623 354 M HN 0.214 nan 8.290 nan 0.000 0.434 355 V N 6.244 125.738 119.914 -0.701 0.000 2.432 355 V HA 0.268 4.347 4.120 -0.069 0.000 0.271 355 V C -0.442 175.407 176.094 -0.408 0.000 1.046 355 V CA -0.652 61.249 62.300 -0.664 0.000 0.945 355 V CB 0.976 32.095 31.823 -1.173 0.000 0.992 355 V HN 0.728 nan 8.190 nan 0.000 0.471 356 L N 7.000 128.098 121.223 -0.208 0.000 2.352 356 L HA 0.413 4.711 4.340 -0.069 0.000 0.272 356 L C 1.056 177.853 176.870 -0.122 0.000 1.109 356 L CA 0.584 55.374 54.840 -0.083 0.000 0.952 356 L CB 0.055 42.123 42.059 0.015 0.000 1.314 356 L HN 0.596 nan 8.230 nan 0.000 0.427 357 I N 4.172 124.651 120.570 -0.151 0.000 2.145 357 I HA -0.227 3.902 4.170 -0.069 0.000 0.244 357 I C -0.510 175.370 176.117 -0.396 0.000 1.075 357 I CA 1.231 62.358 61.300 -0.288 0.000 1.332 357 I CB -1.384 36.475 38.000 -0.235 0.000 1.033 357 I HN 0.495 nan 8.210 nan 0.000 0.410 358 P HA -0.167 nan 4.420 nan 0.000 0.219 358 P C 1.514 178.719 177.300 -0.160 0.000 1.146 358 P CA 1.305 64.275 63.100 -0.216 0.000 0.808 358 P CB -0.059 31.534 31.700 -0.179 0.000 0.779 359 Q N -1.140 118.604 119.800 -0.093 0.000 2.204 359 Q HA 0.009 4.308 4.340 -0.069 0.000 0.198 359 Q C 2.079 178.087 176.000 0.013 0.000 0.946 359 Q CA 0.606 56.391 55.803 -0.030 0.000 0.859 359 Q CB -1.162 27.581 28.738 0.008 0.000 0.946 359 Q HN 0.225 nan 8.270 nan 0.000 0.474 360 L N 0.958 122.175 121.223 -0.009 0.000 2.042 360 L HA -0.176 4.122 4.340 -0.069 0.000 0.210 360 L C 1.707 178.747 176.870 0.283 0.000 1.076 360 L CA 1.945 56.843 54.840 0.096 0.000 0.749 360 L CB -0.638 41.442 42.059 0.035 0.000 0.893 360 L HN 0.198 nan 8.230 nan 0.000 0.432 361 H N -0.222 118.890 119.070 0.070 0.000 2.563 361 H HA 0.149 4.662 4.556 -0.070 0.000 0.272 361 H C 1.343 176.505 175.328 -0.277 0.000 1.005 361 H CA 0.535 56.533 56.048 -0.085 0.000 1.171 361 H CB -0.128 29.531 29.762 -0.172 0.000 1.351 361 H HN 0.415 nan 8.280 nan 0.000 0.602 362 R N 0.257 120.769 120.500 0.020 0.000 2.546 362 R HA 0.046 4.344 4.340 -0.069 0.000 0.320 362 R C -0.179 176.196 176.300 0.125 0.000 1.021 362 R CA -0.206 55.889 56.100 -0.008 0.000 1.088 362 R CB 0.767 31.036 30.300 -0.051 0.000 1.278 362 R HN 0.022 nan 8.270 nan 0.000 0.557 363 D N 1.784 122.342 120.400 0.263 0.000 2.342 363 D HA -0.013 4.585 4.640 -0.069 0.000 0.260 363 D C 0.524 176.979 176.300 0.259 0.000 1.278 363 D CA 0.418 54.563 54.000 0.242 0.000 0.910 363 D CB 0.845 41.787 40.800 0.236 0.000 1.079 363 D HN 0.024 nan 8.370 nan 0.000 0.496 364 K N 1.409 121.901 120.400 0.154 0.000 2.280 364 K HA -0.119 4.159 4.320 -0.069 0.000 0.202 364 K C 1.828 178.477 176.600 0.082 0.000 1.047 364 K CA 1.389 57.749 56.287 0.122 0.000 0.942 364 K CB -0.000 32.546 32.500 0.077 0.000 0.739 364 K HN 0.526 nan 8.250 nan 0.000 0.457 365 T N -0.974 113.616 114.554 0.060 0.000 3.035 365 T HA 0.002 4.311 4.350 -0.069 0.000 0.268 365 T C 1.689 176.365 174.700 -0.040 0.000 1.109 365 T CA 0.534 62.642 62.100 0.013 0.000 1.119 365 T CB 0.037 68.914 68.868 0.014 0.000 0.900 365 T HN -0.033 nan 8.240 nan 0.000 0.503 366 I N -1.344 119.187 120.570 -0.066 0.000 2.947 366 I HA 0.262 4.391 4.170 -0.069 0.000 0.263 366 I C 1.502 177.374 176.117 -0.408 0.000 1.130 366 I CA 0.393 61.514 61.300 -0.298 0.000 1.448 366 I CB -0.725 36.988 38.000 -0.479 0.000 1.222 366 I HN 0.317 nan 8.210 nan 0.000 0.453 367 W N 1.751 123.022 121.300 -0.049 0.000 3.211 367 W HA 0.445 5.066 4.660 -0.063 0.000 0.292 367 W C 1.233 177.707 176.519 -0.076 0.000 1.268 367 W CA 0.873 58.167 57.345 -0.085 0.000 1.702 367 W CB 0.171 29.582 29.460 -0.082 0.000 1.092 367 W HN 0.239 nan 8.180 nan 0.000 0.643 368 G N 0.704 109.572 108.800 0.114 0.000 2.566 368 G HA2 -0.233 3.686 3.960 -0.069 0.000 0.599 368 G HA3 -0.233 3.686 3.960 -0.069 0.000 0.599 368 G C -0.104 174.841 174.900 0.075 0.000 1.292 368 G CA -0.209 44.930 45.100 0.064 0.000 0.922 368 G HN -0.017 nan 8.290 nan 0.000 0.514 369 D N 0.216 120.644 120.400 0.048 0.000 2.333 369 D HA 0.053 4.652 4.640 -0.069 0.000 0.208 369 D C 1.664 177.987 176.300 0.040 0.000 0.984 369 D CA 1.172 55.198 54.000 0.043 0.000 0.873 369 D CB 0.000 40.820 40.800 0.032 0.000 0.935 369 D HN 0.588 nan 8.370 nan 0.000 0.521 370 D N 1.041 121.462 120.400 0.036 0.000 2.504 370 D HA -0.081 4.518 4.640 -0.069 0.000 0.243 370 D C 1.793 178.099 176.300 0.010 0.000 1.203 370 D CA -0.054 53.961 54.000 0.026 0.000 0.847 370 D CB -0.461 40.352 40.800 0.022 0.000 0.973 370 D HN 0.114 nan 8.370 nan 0.000 0.490 371 V N -1.837 118.082 119.914 0.009 0.000 2.568 371 V HA -0.198 3.881 4.120 -0.069 0.000 0.253 371 V C 1.677 177.721 176.094 -0.083 0.000 1.072 371 V CA 1.300 63.574 62.300 -0.045 0.000 1.084 371 V CB -0.456 31.348 31.823 -0.032 0.000 0.676 371 V HN 0.055 nan 8.190 nan 0.000 0.469 372 E N 0.319 120.502 120.200 -0.028 0.000 2.481 372 E HA 0.062 4.371 4.350 -0.069 0.000 0.195 372 E C 0.525 177.145 176.600 0.034 0.000 1.047 372 E CA 0.123 56.521 56.400 -0.002 0.000 0.867 372 E CB -0.042 29.686 29.700 0.047 0.000 0.858 372 E HN 0.734 nan 8.360 nan 0.000 0.513 373 E N 0.415 120.626 120.200 0.018 0.000 2.331 373 E HA 0.097 4.405 4.350 -0.069 0.000 0.272 373 E C -0.453 176.147 176.600 -0.000 0.000 1.036 373 E CA -0.551 55.880 56.400 0.052 0.000 0.864 373 E CB 0.569 30.293 29.700 0.040 0.000 1.035 373 E HN -0.052 nan 8.360 nan 0.000 0.408 374 F N 3.052 122.938 119.950 -0.106 0.000 2.377 374 F HA 0.199 4.686 4.527 -0.065 0.000 0.360 374 F C 0.371 176.117 175.800 -0.090 0.000 1.147 374 F CA -0.338 57.531 58.000 -0.219 0.000 1.170 374 F CB 0.262 39.116 39.000 -0.243 0.000 1.339 374 F HN 0.197 nan 8.300 nan 0.000 0.552 375 R N 7.973 128.179 120.500 -0.490 0.000 2.487 375 R HA 0.355 4.653 4.340 -0.069 0.000 0.288 375 R C -2.370 173.715 176.300 -0.359 0.000 1.394 375 R CA -1.670 54.244 56.100 -0.310 0.000 1.155 375 R CB 1.072 31.299 30.300 -0.123 0.000 1.156 375 R HN 0.277 nan 8.270 nan 0.000 0.553 376 P HA -0.144 nan 4.420 nan 0.000 0.219 376 P C 0.185 177.434 177.300 -0.085 0.000 1.146 376 P CA 1.055 63.941 63.100 -0.356 0.000 0.808 376 P CB 0.365 31.719 31.700 -0.576 0.000 0.779 377 E N -0.613 119.581 120.200 -0.009 0.000 2.331 377 E HA -0.172 4.137 4.350 -0.069 0.000 0.199 377 E C 1.865 178.445 176.600 -0.034 0.000 1.008 377 E CA 0.757 57.182 56.400 0.042 0.000 0.843 377 E CB -0.569 29.166 29.700 0.059 0.000 0.761 377 E HN 0.278 nan 8.360 nan 0.000 0.507 378 R N -0.690 119.744 120.500 -0.109 0.000 2.152 378 R HA -0.090 4.208 4.340 -0.069 0.000 0.232 378 R C 0.839 176.853 176.300 -0.475 0.000 1.117 378 R CA 0.923 56.868 56.100 -0.259 0.000 0.981 378 R CB -0.153 29.934 30.300 -0.355 0.000 0.870 378 R HN 0.208 nan 8.270 nan 0.000 0.451 379 F N 0.278 120.153 119.950 -0.124 0.000 2.645 379 F HA 0.132 4.617 4.527 -0.070 0.000 0.300 379 F C 2.327 178.079 175.800 -0.079 0.000 1.115 379 F CA 0.371 58.290 58.000 -0.135 0.000 1.355 379 F CB -0.163 38.713 39.000 -0.207 0.000 1.026 379 F HN 0.120 nan 8.300 nan 0.000 0.536 380 E N 0.492 120.710 120.200 0.030 0.000 2.118 380 E HA -0.211 4.098 4.350 -0.069 0.000 0.195 380 E C 0.913 177.528 176.600 0.025 0.000 0.992 380 E CA 1.489 57.916 56.400 0.046 0.000 0.804 380 E CB -0.404 29.316 29.700 0.033 0.000 0.741 380 E HN 0.262 nan 8.360 nan 0.000 0.458 381 N N -0.166 118.525 118.700 -0.017 0.000 2.776 381 N HA 0.260 4.959 4.740 -0.069 0.000 0.245 381 N C -2.411 173.077 175.510 -0.036 0.000 1.121 381 N CA -2.422 50.615 53.050 -0.022 0.000 0.852 381 N CB 1.754 40.218 38.487 -0.039 0.000 1.142 381 N HN -0.134 nan 8.380 nan 0.000 0.514 382 P HA -0.059 nan 4.420 nan 0.000 0.219 382 P C 0.846 178.144 177.300 -0.004 0.000 1.146 382 P CA 0.966 64.082 63.100 0.027 0.000 0.808 382 P CB 0.395 32.143 31.700 0.080 0.000 0.779 383 S N -0.707 114.985 115.700 -0.013 0.000 2.474 383 S HA -0.018 4.410 4.470 -0.069 0.000 0.235 383 S C 1.905 176.470 174.600 -0.057 0.000 0.997 383 S CA 1.006 59.192 58.200 -0.024 0.000 0.949 383 S CB -0.643 62.547 63.200 -0.016 0.000 0.766 383 S HN 0.191 nan 8.310 nan 0.000 0.517 384 A N 1.028 123.796 122.820 -0.086 0.000 2.123 384 A HA 0.212 4.491 4.320 -0.069 0.000 0.214 384 A C 0.735 178.209 177.584 -0.183 0.000 1.152 384 A CA 0.199 52.161 52.037 -0.125 0.000 0.728 384 A CB -0.151 18.768 19.000 -0.135 0.000 0.814 384 A HN 0.342 nan 8.150 nan 0.000 0.464 385 I N 1.716 122.170 120.570 -0.193 0.000 2.517 385 I HA 0.156 4.285 4.170 -0.069 0.000 0.285 385 I C -2.290 173.718 176.117 -0.182 0.000 1.106 385 I CA -2.246 58.893 61.300 -0.269 0.000 1.402 385 I CB -0.376 37.497 38.000 -0.213 0.000 1.399 385 I HN 0.022 nan 8.210 nan 0.000 0.535 386 P HA -0.012 nan 4.420 nan 0.000 0.267 386 P C -0.002 177.243 177.300 -0.091 0.000 1.201 386 P CA -0.175 62.841 63.100 -0.141 0.000 0.775 386 P CB 0.476 32.081 31.700 -0.157 0.000 0.854 387 Q N 1.764 121.505 119.800 -0.099 0.000 2.349 387 Q HA -0.088 4.210 4.340 -0.069 0.000 0.287 387 Q C 0.226 176.137 176.000 -0.148 0.000 1.044 387 Q CA 0.201 55.877 55.803 -0.211 0.000 0.918 387 Q CB 0.029 28.597 28.738 -0.284 0.000 1.242 387 Q HN 0.547 nan 8.270 nan 0.000 0.405 388 H N 0.287 119.421 119.070 0.107 0.000 3.010 388 H HA -0.263 4.252 4.556 -0.069 0.000 0.272 388 H C 0.536 175.970 175.328 0.177 0.000 1.151 388 H CA 0.909 57.038 56.048 0.135 0.000 1.159 388 H CB -1.736 28.085 29.762 0.100 0.000 1.295 388 H HN 0.653 nan 8.280 nan 0.000 0.344 389 A N -0.080 122.886 122.820 0.244 0.000 2.021 389 A HA 0.167 4.446 4.320 -0.069 0.000 0.216 389 A C 0.729 178.702 177.584 0.649 0.000 1.163 389 A CA 0.661 52.879 52.037 0.301 0.000 0.676 389 A CB 0.274 19.267 19.000 -0.011 0.000 0.818 389 A HN 0.172 nan 8.150 nan 0.000 0.453 390 F N 0.814 121.014 119.950 0.418 0.000 2.513 390 F HA 0.483 4.967 4.527 -0.071 0.000 0.358 390 F C -0.291 175.778 175.800 0.448 0.000 1.118 390 F CA -1.027 57.265 58.000 0.487 0.000 1.037 390 F CB 1.170 40.436 39.000 0.443 0.000 1.276 390 F HN -0.120 nan 8.300 nan 0.000 0.446 391 K N 7.676 128.263 120.400 0.312 0.000 3.206 391 K HA 0.217 4.496 4.320 -0.069 0.000 0.180 391 K C -2.236 174.342 176.600 -0.036 0.000 1.088 391 K CA -1.244 55.090 56.287 0.080 0.000 0.872 391 K CB 0.977 33.613 32.500 0.226 0.000 0.976 391 K HN 0.345 nan 8.250 nan 0.000 0.564 392 P HA -0.105 nan 4.420 nan 0.000 0.223 392 P C 0.737 177.985 177.300 -0.087 0.000 1.151 392 P CA 0.883 63.912 63.100 -0.119 0.000 0.787 392 P CB 0.364 31.926 31.700 -0.230 0.000 0.788 393 A N -0.810 121.939 122.820 -0.119 0.000 2.423 393 A HA 0.572 4.851 4.320 -0.069 0.000 0.246 393 A C 1.126 178.596 177.584 -0.189 0.000 1.278 393 A CA 0.389 52.369 52.037 -0.095 0.000 0.903 393 A CB -0.684 18.287 19.000 -0.050 0.000 0.997 393 A HN 0.356 nan 8.150 nan 0.000 0.510 394 G N 0.054 108.655 108.800 -0.333 0.000 2.542 394 G HA2 -0.227 3.692 3.960 -0.069 0.000 0.235 394 G HA3 -0.227 3.692 3.960 -0.069 0.000 0.235 394 G C -0.360 174.236 174.900 -0.506 0.000 1.286 394 G CA -0.046 44.553 45.100 -0.836 0.000 0.904 394 G HN 0.885 nan 8.290 nan 0.000 0.577 395 N N 0.313 118.734 118.700 -0.464 0.000 2.242 395 N HA 0.531 5.230 4.740 -0.069 0.000 0.292 395 N C 0.875 176.362 175.510 -0.038 0.000 1.125 395 N CA 0.963 53.936 53.050 -0.127 0.000 0.783 395 N CB 1.606 40.072 38.487 -0.035 0.000 1.558 395 N HN 2.376 nan 8.380 nan 0.000 0.472 396 G N 2.602 111.434 108.800 0.053 0.000 2.614 396 G HA2 -0.404 3.515 3.960 -0.069 0.000 0.303 396 G HA3 -0.404 3.515 3.960 -0.069 0.000 0.303 396 G C 0.679 175.627 174.900 0.079 0.000 1.270 396 G CA 0.955 46.099 45.100 0.073 0.000 0.988 396 G HN 0.813 nan 8.290 nan 0.000 0.551 397 Q N -0.177 119.668 119.800 0.075 0.000 2.436 397 Q HA 0.084 4.383 4.340 -0.069 0.000 0.209 397 Q C 1.839 177.926 176.000 0.145 0.000 0.965 397 Q CA 1.308 57.191 55.803 0.134 0.000 0.910 397 Q CB 0.089 28.886 28.738 0.099 0.000 0.980 397 Q HN 0.424 nan 8.270 nan 0.000 0.491 398 R N 0.561 121.067 120.500 0.009 0.000 2.466 398 R HA 0.404 4.703 4.340 -0.069 0.000 0.279 398 R C 0.086 176.378 176.300 -0.014 0.000 0.976 398 R CA 0.366 56.450 56.100 -0.026 0.000 1.081 398 R CB 0.153 30.347 30.300 -0.176 0.000 1.215 398 R HN 0.324 nan 8.270 nan 0.000 0.546 399 A N 0.390 123.217 122.820 0.012 0.000 2.327 399 A HA 0.107 4.386 4.320 -0.069 0.000 0.255 399 A C 0.212 177.807 177.584 0.018 0.000 1.099 399 A CA -0.404 51.609 52.037 -0.039 0.000 0.801 399 A CB 0.358 19.350 19.000 -0.014 0.000 1.062 399 A HN 0.430 nan 8.150 nan 0.000 0.496 400 C N 1.611 120.901 119.300 -0.017 0.000 2.648 400 C HA 0.144 4.563 4.460 -0.069 0.000 0.406 400 C C 1.724 176.687 174.990 -0.045 0.000 1.406 400 C CA 0.119 59.127 59.018 -0.017 0.000 1.610 400 C CB -2.058 25.665 27.740 -0.027 0.000 2.451 400 C HN 0.745 nan 8.230 nan 0.000 0.608 401 I N 4.594 125.091 120.570 -0.121 0.000 2.546 401 I HA 0.062 4.191 4.170 -0.069 0.000 0.255 401 I C 2.058 177.880 176.117 -0.493 0.000 1.163 401 I CA 1.580 62.718 61.300 -0.270 0.000 1.457 401 I CB -0.059 37.725 38.000 -0.360 0.000 1.092 401 I HN 0.924 nan 8.210 nan 0.000 0.434 402 G N -0.357 108.163 108.800 -0.466 0.000 3.181 402 G HA2 -0.130 3.788 3.960 -0.069 0.000 0.219 402 G HA3 -0.130 3.788 3.960 -0.069 0.000 0.219 402 G C 1.207 176.144 174.900 0.061 0.000 1.182 402 G CA -0.116 44.812 45.100 -0.287 0.000 0.791 402 G HN 0.305 nan 8.290 nan 0.000 0.537 403 Q N 0.313 120.144 119.800 0.052 0.000 2.124 403 Q HA -0.114 4.185 4.340 -0.069 0.000 0.202 403 Q C 2.590 178.701 176.000 0.186 0.000 0.977 403 Q CA 1.406 57.276 55.803 0.112 0.000 0.850 403 Q CB -0.032 28.751 28.738 0.075 0.000 0.901 403 Q HN 0.357 nan 8.270 nan 0.000 0.429 404 Q N -0.933 119.002 119.800 0.225 0.000 2.119 404 Q HA -0.117 4.181 4.340 -0.069 0.000 0.201 404 Q C 1.897 178.098 176.000 0.336 0.000 0.972 404 Q CA 1.058 57.015 55.803 0.257 0.000 0.847 404 Q CB -0.587 28.304 28.738 0.255 0.000 0.903 404 Q HN 0.418 nan 8.270 nan 0.000 0.433 405 F N 1.549 121.636 119.950 0.228 0.000 2.075 405 F HA -0.145 4.340 4.527 -0.070 0.000 0.297 405 F C 2.224 178.144 175.800 0.200 0.000 1.113 405 F CA 1.398 59.534 58.000 0.226 0.000 1.218 405 F CB -0.463 38.666 39.000 0.216 0.000 0.984 405 F HN 0.064 nan 8.300 nan 0.000 0.472 406 A N 0.724 123.831 122.820 0.478 0.000 1.892 406 A HA -0.190 4.089 4.320 -0.069 0.000 0.218 406 A C 2.302 180.010 177.584 0.205 0.000 1.188 406 A CA 2.096 54.324 52.037 0.318 0.000 0.631 406 A CB -1.290 17.847 19.000 0.229 0.000 0.822 406 A HN 0.507 nan 8.150 nan 0.000 0.447 407 L N -1.989 119.348 121.223 0.191 0.000 2.156 407 L HA -0.145 4.154 4.340 -0.069 0.000 0.208 407 L C 2.607 179.552 176.870 0.126 0.000 1.095 407 L CA 1.649 56.574 54.840 0.142 0.000 0.770 407 L CB -0.742 41.396 42.059 0.133 0.000 0.914 407 L HN 0.613 nan 8.230 nan 0.000 0.439 408 H N 0.451 119.561 119.070 0.067 0.000 2.326 408 H HA -0.222 4.293 4.556 -0.069 0.000 0.301 408 H C 2.196 177.527 175.328 0.005 0.000 1.081 408 H CA 2.056 58.125 56.048 0.035 0.000 1.334 408 H CB 0.215 30.011 29.762 0.056 0.000 1.385 408 H HN 0.298 nan 8.280 nan 0.000 0.504 409 E N 0.503 120.712 120.200 0.015 0.000 2.038 409 E HA -0.193 4.116 4.350 -0.069 0.000 0.195 409 E C 2.276 178.866 176.600 -0.016 0.000 1.000 409 E CA 1.806 58.181 56.400 -0.042 0.000 0.803 409 E CB -0.720 28.976 29.700 -0.007 0.000 0.750 409 E HN 0.512 nan 8.360 nan 0.000 0.448 410 A N -0.336 122.507 122.820 0.039 0.000 1.933 410 A HA -0.155 4.124 4.320 -0.069 0.000 0.218 410 A C 2.485 180.084 177.584 0.025 0.000 1.175 410 A CA 2.108 54.178 52.037 0.055 0.000 0.628 410 A CB -1.080 17.976 19.000 0.094 0.000 0.814 410 A HN 0.420 nan 8.150 nan 0.000 0.444 411 T N 0.112 114.658 114.554 -0.014 0.000 2.777 411 T HA -0.114 4.194 4.350 -0.069 0.000 0.266 411 T C 1.854 176.517 174.700 -0.061 0.000 1.040 411 T CA 1.429 63.509 62.100 -0.033 0.000 1.141 411 T CB -0.395 68.436 68.868 -0.062 0.000 0.868 411 T HN 0.368 nan 8.240 nan 0.000 0.444 412 L N 1.482 122.620 121.223 -0.143 0.000 1.989 412 L HA -0.072 4.226 4.340 -0.069 0.000 0.211 412 L C 2.412 179.265 176.870 -0.029 0.000 1.071 412 L CA 1.743 56.509 54.840 -0.122 0.000 0.749 412 L CB -0.857 41.087 42.059 -0.191 0.000 0.890 412 L HN 0.072 nan 8.230 nan 0.000 0.431 413 V N -0.588 119.315 119.914 -0.019 0.000 2.307 413 V HA -0.237 3.841 4.120 -0.069 0.000 0.245 413 V C 2.499 178.633 176.094 0.066 0.000 1.045 413 V CA 1.662 63.970 62.300 0.013 0.000 1.024 413 V CB -0.696 31.133 31.823 0.009 0.000 0.651 413 V HN 0.503 nan 8.190 nan 0.000 0.449 414 L N 1.333 122.603 121.223 0.078 0.000 2.046 414 L HA -0.005 4.294 4.340 -0.069 0.000 0.208 414 L C 2.372 179.323 176.870 0.135 0.000 1.077 414 L CA 2.338 57.248 54.840 0.116 0.000 0.747 414 L CB -1.417 40.706 42.059 0.105 0.000 0.896 414 L HN 0.285 nan 8.230 nan 0.000 0.432 415 G N -0.713 108.144 108.800 0.096 0.000 2.446 415 G HA2 -0.330 3.588 3.960 -0.069 0.000 0.217 415 G HA3 -0.330 3.588 3.960 -0.069 0.000 0.217 415 G C 1.565 176.542 174.900 0.128 0.000 1.168 415 G CA 1.227 46.385 45.100 0.097 0.000 0.771 415 G HN 0.410 nan 8.290 nan 0.000 0.551 416 M N -0.325 119.359 119.600 0.140 0.000 2.086 416 M HA 0.006 4.445 4.480 -0.069 0.000 0.261 416 M C 2.777 179.281 176.300 0.340 0.000 1.067 416 M CA 1.441 56.875 55.300 0.224 0.000 1.116 416 M CB -0.366 32.337 32.600 0.172 0.000 1.348 416 M HN 0.208 nan 8.290 nan 0.000 0.407 417 M N 0.148 119.965 119.600 0.362 0.000 2.082 417 M HA -0.245 4.194 4.480 -0.069 0.000 0.258 417 M C 2.054 178.762 176.300 0.681 0.000 1.069 417 M CA 1.770 57.462 55.300 0.653 0.000 1.102 417 M CB -0.566 32.380 32.600 0.577 0.000 1.336 417 M HN 0.258 nan 8.290 nan 0.000 0.404 418 L N -0.460 121.027 121.223 0.439 0.000 2.201 418 L HA -0.173 4.126 4.340 -0.069 0.000 0.212 418 L C 2.500 179.483 176.870 0.187 0.000 1.105 418 L CA 0.985 56.042 54.840 0.361 0.000 0.775 418 L CB -0.640 41.568 42.059 0.248 0.000 0.913 418 L HN 0.321 nan 8.230 nan 0.000 0.440 419 K N -0.601 119.844 120.400 0.075 0.000 2.031 419 K HA -0.156 4.123 4.320 -0.069 0.000 0.205 419 K C 2.111 178.531 176.600 -0.301 0.000 1.049 419 K CA 1.186 57.384 56.287 -0.148 0.000 0.939 419 K CB 0.010 32.324 32.500 -0.310 0.000 0.717 419 K HN 0.368 nan 8.250 nan 0.000 0.438 420 H N -1.471 117.513 119.070 -0.143 0.000 2.497 420 H HA 0.097 4.611 4.556 -0.069 0.000 0.282 420 H C -0.016 174.838 175.328 -0.790 0.000 1.003 420 H CA 0.628 56.368 56.048 -0.513 0.000 1.307 420 H CB 0.335 29.643 29.762 -0.755 0.000 1.437 420 H HN 0.032 nan 8.280 nan 0.000 0.544 421 F N 0.485 120.467 119.950 0.054 0.000 2.593 421 F HA 0.300 4.787 4.527 -0.067 0.000 0.320 421 F C 0.107 175.735 175.800 -0.287 0.000 1.060 421 F CA -1.182 56.686 58.000 -0.219 0.000 0.940 421 F CB 1.513 40.153 39.000 -0.599 0.000 1.268 421 F HN -0.228 nan 8.300 nan 0.000 0.475 422 D N 0.905 121.226 120.400 -0.131 0.000 2.181 422 D HA 0.397 4.995 4.640 -0.069 0.000 0.248 422 D C -1.080 175.036 176.300 -0.307 0.000 1.020 422 D CA 0.031 53.982 54.000 -0.082 0.000 0.891 422 D CB 1.728 42.523 40.800 -0.008 0.000 1.187 422 D HN 0.154 nan 8.370 nan 0.000 0.443 423 F N 0.553 120.549 119.950 0.078 0.000 2.522 423 F HA 0.276 4.761 4.527 -0.068 0.000 0.324 423 F C 0.716 176.518 175.800 0.003 0.000 1.077 423 F CA -0.801 57.208 58.000 0.016 0.000 0.944 423 F CB 1.968 40.987 39.000 0.031 0.000 1.175 423 F HN 0.116 nan 8.300 nan 0.000 0.468 424 E N 1.438 121.721 120.200 0.138 0.000 2.210 424 E HA 0.151 4.459 4.350 -0.069 0.000 0.266 424 E C -1.590 175.101 176.600 0.153 0.000 0.883 424 E CA -0.718 55.746 56.400 0.107 0.000 0.761 424 E CB 1.506 31.229 29.700 0.038 0.000 1.156 424 E HN 0.569 nan 8.360 nan 0.000 0.412 425 D N 3.224 123.721 120.400 0.162 0.000 2.631 425 D HA 0.023 4.621 4.640 -0.069 0.000 0.227 425 D C 0.904 177.303 176.300 0.164 0.000 1.146 425 D CA -0.080 54.034 54.000 0.190 0.000 1.009 425 D CB -0.241 40.654 40.800 0.158 0.000 1.057 425 D HN 0.654 nan 8.370 nan 0.000 0.509 426 H N -0.497 118.577 119.070 0.006 0.000 2.521 426 H HA -0.056 4.463 4.556 -0.063 0.000 0.286 426 H C 1.231 176.552 175.328 -0.011 0.000 1.034 426 H CA 1.403 57.443 56.048 -0.013 0.000 1.278 426 H CB 0.147 29.884 29.762 -0.042 0.000 1.386 426 H HN 0.208 nan 8.280 nan 0.000 0.567 427 T N -3.278 111.014 114.554 -0.436 0.000 3.054 427 T HA 0.040 4.349 4.350 -0.069 0.000 0.255 427 T C 0.695 175.346 174.700 -0.081 0.000 1.035 427 T CA 0.023 61.934 62.100 -0.316 0.000 0.941 427 T CB -0.259 68.405 68.868 -0.340 0.000 1.026 427 T HN 0.446 nan 8.240 nan 0.000 0.533 428 N N 1.176 119.872 118.700 -0.006 0.000 2.714 428 N HA -0.229 4.470 4.740 -0.069 0.000 0.253 428 N C -0.508 175.046 175.510 0.072 0.000 1.024 428 N CA 0.179 53.250 53.050 0.036 0.000 0.726 428 N CB -2.370 36.118 38.487 0.001 0.000 0.908 428 N HN 0.770 nan 8.380 nan 0.000 0.542 429 Y N 0.694 121.009 120.300 0.024 0.000 2.895 429 Y HA 0.040 4.582 4.550 -0.014 0.000 0.334 429 Y C 0.700 176.642 175.900 0.070 0.000 1.261 429 Y CA 0.504 58.644 58.100 0.066 0.000 1.560 429 Y CB 0.407 39.000 38.460 0.221 0.000 1.253 429 Y HN 0.226 nan 8.280 nan 0.000 0.582 430 E N 6.732 126.536 120.200 -0.659 0.000 2.146 430 E HA 0.149 4.457 4.350 -0.069 0.000 0.282 430 E C -1.096 174.827 176.600 -1.128 0.000 0.989 430 E CA -1.113 54.908 56.400 -0.632 0.000 0.799 430 E CB 0.891 30.402 29.700 -0.315 0.000 1.088 430 E HN 0.710 nan 8.360 nan 0.000 0.397 431 L N 4.875 125.618 121.223 -0.801 0.000 2.584 431 L HA -0.020 4.279 4.340 -0.069 0.000 0.272 431 L C -0.527 176.071 176.870 -0.454 0.000 1.195 431 L CA 0.955 55.367 54.840 -0.713 0.000 0.920 431 L CB 0.252 41.979 42.059 -0.553 0.000 1.173 431 L HN 0.372 nan 8.230 nan 0.000 0.489 432 D N 5.520 125.725 120.400 -0.325 0.000 2.476 432 D HA 0.294 4.893 4.640 -0.069 0.000 0.251 432 D C -0.824 175.368 176.300 -0.180 0.000 1.291 432 D CA -0.227 53.655 54.000 -0.196 0.000 0.939 432 D CB 0.597 41.327 40.800 -0.116 0.000 1.221 432 D HN 0.457 nan 8.370 nan 0.000 0.567 433 I N 3.332 123.763 120.570 -0.233 0.000 2.301 433 I HA 0.198 4.326 4.170 -0.069 0.000 0.292 433 I C 0.468 176.501 176.117 -0.140 0.000 1.046 433 I CA -0.760 60.398 61.300 -0.237 0.000 1.282 433 I CB 0.856 38.606 38.000 -0.416 0.000 1.409 433 I HN 0.150 nan 8.210 nan 0.000 0.484 434 K N 7.016 127.355 120.400 -0.103 0.000 2.205 434 K HA 0.318 4.596 4.320 -0.069 0.000 0.279 434 K C -0.590 175.993 176.600 -0.029 0.000 1.027 434 K CA -0.219 56.033 56.287 -0.058 0.000 0.932 434 K CB 0.910 33.378 32.500 -0.053 0.000 1.032 434 K HN 0.466 nan 8.250 nan 0.000 0.466 435 E N 3.150 123.344 120.200 -0.009 0.000 2.176 435 E HA 0.224 4.533 4.350 -0.069 0.000 0.267 435 E C -0.476 176.141 176.600 0.028 0.000 0.893 435 E CA -0.594 55.818 56.400 0.019 0.000 0.761 435 E CB 1.910 31.622 29.700 0.021 0.000 1.133 435 E HN 0.951 nan 8.360 nan 0.000 0.409 436 T N -0.712 113.870 114.554 0.047 0.000 1.796 436 T HA 0.106 4.415 4.350 -0.069 0.000 0.177 436 T C 0.956 175.707 174.700 0.085 0.000 0.689 436 T CA -0.553 61.582 62.100 0.058 0.000 1.180 436 T CB -0.237 68.663 68.868 0.054 0.000 3.041 436 T HN 0.258 nan 8.240 nan 0.000 0.426 437 L N 2.443 123.731 121.223 0.110 0.000 2.217 437 L HA 0.309 4.608 4.340 -0.069 0.000 0.211 437 L C 0.926 177.871 176.870 0.125 0.000 1.107 437 L CA 1.675 56.598 54.840 0.139 0.000 0.783 437 L CB -0.720 41.451 42.059 0.188 0.000 0.919 437 L HN 0.994 nan 8.230 nan 0.000 0.442 438 T N -3.054 111.559 114.554 0.097 0.000 2.883 438 T HA 0.562 4.870 4.350 -0.069 0.000 0.284 438 T C -0.317 174.445 174.700 0.103 0.000 1.041 438 T CA -0.877 61.283 62.100 0.100 0.000 1.007 438 T CB 1.220 70.124 68.868 0.061 0.000 1.220 438 T HN 0.011 nan 8.240 nan 0.000 0.552 439 L N 0.938 122.256 121.223 0.159 0.000 2.331 439 L HA 0.764 5.063 4.340 -0.069 0.000 0.275 439 L C -0.200 176.786 176.870 0.192 0.000 1.022 439 L CA -1.048 53.909 54.840 0.196 0.000 0.812 439 L CB 1.726 43.976 42.059 0.317 0.000 1.257 439 L HN 0.927 nan 8.230 nan 0.000 0.435 440 K N 1.275 121.676 120.400 0.002 0.000 2.575 440 K HA 0.491 4.770 4.320 -0.069 0.000 0.279 440 K C -3.036 173.249 176.600 -0.525 0.000 0.969 440 K CA -1.677 54.389 56.287 -0.368 0.000 0.868 440 K CB 2.116 34.479 32.500 -0.229 0.000 1.457 440 K HN 0.125 nan 8.250 nan 0.000 0.426 441 P HA 0.078 nan 4.420 nan 0.000 0.274 441 P C -0.918 176.253 177.300 -0.215 0.000 1.470 441 P CA 0.058 62.838 63.100 -0.534 0.000 1.001 441 P CB 0.685 31.921 31.700 -0.772 0.000 1.332 442 E N 2.638 122.775 120.200 -0.105 0.000 2.384 442 E HA 0.249 4.558 4.350 -0.069 0.000 0.266 442 E C 1.166 177.794 176.600 0.048 0.000 1.012 442 E CA 0.544 56.922 56.400 -0.036 0.000 0.901 442 E CB -0.211 29.474 29.700 -0.025 0.000 0.967 442 E HN 0.692 nan 8.360 nan 0.000 0.435 443 G N 3.918 112.720 108.800 0.003 0.000 2.179 443 G HA2 -0.316 3.603 3.960 -0.069 0.000 0.260 443 G HA3 -0.316 3.603 3.960 -0.069 0.000 0.260 443 G C -0.048 174.760 174.900 -0.154 0.000 0.977 443 G CA 0.112 45.224 45.100 0.021 0.000 0.641 443 G HN 0.560 nan 8.290 nan 0.000 0.533 444 F N 2.603 122.185 119.950 -0.613 0.000 2.533 444 F HA 0.491 4.977 4.527 -0.069 0.000 0.378 444 F C 0.599 176.121 175.800 -0.463 0.000 1.070 444 F CA -0.697 56.681 58.000 -1.037 0.000 1.172 444 F CB 0.635 39.105 39.000 -0.884 0.000 1.085 444 F HN 0.598 nan 8.300 nan 0.000 0.552 445 V N 5.864 125.414 119.914 -0.607 0.000 2.876 445 V HA 0.915 4.993 4.120 -0.069 0.000 0.312 445 V C -0.818 175.040 176.094 -0.394 0.000 1.085 445 V CA -0.600 61.448 62.300 -0.419 0.000 0.945 445 V CB 1.075 32.828 31.823 -0.116 0.000 1.017 445 V HN 0.885 nan 8.190 nan 0.000 0.428 446 V N 0.056 119.781 119.914 -0.316 0.000 3.159 446 V HA 0.730 4.809 4.120 -0.069 0.000 0.308 446 V C -0.830 175.060 176.094 -0.340 0.000 1.190 446 V CA -1.049 61.129 62.300 -0.203 0.000 1.037 446 V CB 2.143 33.808 31.823 -0.263 0.000 1.060 446 V HN 1.001 nan 8.190 nan 0.000 0.437 447 K N 1.204 121.386 120.400 -0.364 0.000 2.221 447 K HA 0.850 5.129 4.320 -0.069 0.000 0.258 447 K C -0.574 175.824 176.600 -0.337 0.000 0.944 447 K CA -0.341 55.687 56.287 -0.431 0.000 0.823 447 K CB 2.104 34.329 32.500 -0.459 0.000 1.113 447 K HN 1.149 nan 8.250 nan 0.000 0.431 448 A N 3.091 125.629 122.820 -0.470 0.000 2.303 448 A HA 0.352 4.631 4.320 -0.069 0.000 0.320 448 A C -0.851 176.547 177.584 -0.310 0.000 1.192 448 A CA -0.613 51.060 52.037 -0.607 0.000 0.821 448 A CB 0.689 19.060 19.000 -1.048 0.000 1.188 448 A HN 0.688 nan 8.150 nan 0.000 0.492 449 K N 2.240 122.534 120.400 -0.177 0.000 2.265 449 K HA 0.401 4.679 4.320 -0.069 0.000 0.267 449 K C 0.014 176.674 176.600 0.099 0.000 0.994 449 K CA -0.219 56.048 56.287 -0.032 0.000 0.860 449 K CB 1.047 33.518 32.500 -0.049 0.000 1.099 449 K HN 0.689 nan 8.250 nan 0.000 0.448 450 S N 3.254 119.058 115.700 0.173 0.000 2.549 450 S HA 0.059 4.488 4.470 -0.069 0.000 0.286 450 S C 0.571 175.146 174.600 -0.042 0.000 1.314 450 S CA 0.067 58.317 58.200 0.083 0.000 1.062 450 S CB 0.538 63.787 63.200 0.081 0.000 0.865 450 S HN 0.689 nan 8.310 nan 0.000 0.498 451 K N 2.494 122.817 120.400 -0.130 0.000 2.444 451 K HA 0.128 4.407 4.320 -0.069 0.000 0.193 451 K C -0.054 176.497 176.600 -0.081 0.000 1.024 451 K CA -0.080 56.148 56.287 -0.098 0.000 1.077 451 K CB 0.027 32.456 32.500 -0.119 0.000 0.833 451 K HN 0.589 nan 8.250 nan 0.000 0.517 452 K N 0.774 121.127 120.400 -0.078 0.000 3.257 452 K HA -0.203 4.075 4.320 -0.069 0.000 0.270 452 K C -0.605 175.977 176.600 -0.031 0.000 0.984 452 K CA 0.820 57.080 56.287 -0.044 0.000 0.739 452 K CB -1.988 30.495 32.500 -0.029 0.000 1.351 452 K HN 0.279 nan 8.250 nan 0.000 0.463 453 I N 1.243 121.805 120.570 -0.015 0.000 2.392 453 I HA 0.185 4.314 4.170 -0.069 0.000 0.295 453 I C -1.810 174.363 176.117 0.094 0.000 0.985 453 I CA -2.520 58.779 61.300 -0.002 0.000 1.221 453 I CB 1.206 39.133 38.000 -0.122 0.000 1.366 453 I HN -0.087 nan 8.210 nan 0.000 0.467 454 P HA 0.008 nan 4.420 nan 0.000 0.261 454 P C -0.891 176.478 177.300 0.115 0.000 1.173 454 P CA 0.109 63.241 63.100 0.054 0.000 0.760 454 P CB 0.434 32.150 31.700 0.027 0.000 0.783 455 L N 0.000 121.242 121.223 0.032 0.000 2.949 455 L HA 0.000 4.299 4.340 -0.069 0.000 0.249 455 L CA 0.000 54.818 54.840 -0.037 0.000 0.813 455 L CB 0.000 41.902 42.059 -0.261 0.000 0.961 455 L HN 0.000 nan 8.230 nan 0.000 0.502