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 2weu_1_D DATA FIRST_RESID 1 DATA SEQUENCE MIRSVVIVGG GTAGWMTASY LKAAFDDRID VTLVESGXXX XXXVGEATFS DATA SEQUENCE TVRHFFDYLG LDEREWLPRC AGGYKLGIRF ENWSEPGEYF YHPFERLRVV DATA SEQUENCE DGFNMAEWWL AVGDXXTSFS EACYLTHRLC EAKRAPRMLD GSLFAXXXXX DATA SEQUENCE SLGRSTLAEQ RAQFPYAYHF DADEVARYLS EYAIARGVRH VVDDVQHVGQ DATA SEQUENCE DERGWISGVH TKQHGEISGD LFVDCTGFRG LLINQTLGGR FQSFSDVLPN DATA SEQUENCE NRAVALRVPR ENDEDMRPYT TATAMSAGWM WTIPLFKRDG NGYVYSDEFI DATA SEQUENCE SPEEAERELR STVAPGRDDL EANHIQMRIG RNERTWINNC VAVGLSAAFV DATA SEQUENCE EPLESTGIFF IQHAIEQLVK HFPGERWDPV LISAYNERMA HMVDGVKEFL DATA SEQUENCE VLHYKGAQRE DTPYWKAAKT RAMPDGLARK LELSASHLLD EQTIYPYYHG DATA SEQUENCE FETYSWITMN LGLGIVPERP RPALLHMDPA PALAEFERLR REGDELIAAL DATA SEQUENCE PSCYEYLASI Q 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.281 176.300 -0.031 0.000 1.140 1 M CA 0.000 55.271 55.300 -0.049 0.000 0.988 1 M CB 0.000 32.569 32.600 -0.052 0.000 1.302 2 I N -0.840 119.699 120.570 -0.051 0.000 3.021 2 I HA 0.531 4.701 4.170 0.000 0.000 0.303 2 I C 0.691 176.830 176.117 0.037 0.000 1.044 2 I CA -0.247 61.053 61.300 0.000 0.000 1.266 2 I CB 1.047 39.013 38.000 -0.056 0.000 1.447 2 I HN 0.969 nan 8.210 nan 0.000 0.593 3 R N 1.638 122.173 120.500 0.058 0.000 2.383 3 R HA 0.259 4.599 4.340 0.000 0.000 0.205 3 R C -0.233 176.101 176.300 0.057 0.000 0.875 3 R CA 0.613 56.740 56.100 0.046 0.000 1.039 3 R CB 0.398 30.718 30.300 0.034 0.000 1.267 3 R HN 0.917 nan 8.270 nan 0.000 0.635 4 S N 0.031 115.765 115.700 0.057 0.000 2.536 4 S HA 0.654 5.124 4.470 0.000 0.000 0.287 4 S C -0.830 173.759 174.600 -0.018 0.000 1.101 4 S CA -0.776 57.434 58.200 0.017 0.000 0.950 4 S CB 2.580 65.769 63.200 -0.019 0.000 1.056 4 S HN -0.067 nan 8.310 nan 0.000 0.481 5 V N 1.973 121.861 119.914 -0.043 0.000 2.588 5 V HA 0.590 4.710 4.120 0.000 0.000 0.304 5 V C -0.798 175.170 176.094 -0.209 0.000 1.042 5 V CA -0.703 61.531 62.300 -0.110 0.000 0.877 5 V CB 1.819 33.663 31.823 0.035 0.000 0.996 5 V HN 0.853 nan 8.190 nan 0.000 0.425 6 V N 5.981 125.658 119.914 -0.396 0.000 2.378 6 V HA 0.506 4.626 4.120 0.000 0.000 0.288 6 V C -0.216 175.755 176.094 -0.205 0.000 1.016 6 V CA -0.354 61.744 62.300 -0.337 0.000 0.840 6 V CB 1.639 33.165 31.823 -0.494 0.000 0.994 6 V HN 0.691 nan 8.190 nan 0.000 0.431 7 I N 5.272 125.750 120.570 -0.154 0.000 2.321 7 I HA 0.384 4.554 4.170 0.000 0.000 0.291 7 I C -0.374 175.668 176.117 -0.124 0.000 0.998 7 I CA -0.671 60.540 61.300 -0.149 0.000 1.227 7 I CB 1.784 39.650 38.000 -0.224 0.000 1.368 7 I HN 0.269 nan 8.210 nan 0.000 0.466 8 V N 5.873 125.742 119.914 -0.074 0.000 2.318 8 V HA 0.783 4.903 4.120 0.000 0.000 0.271 8 V C 0.464 176.504 176.094 -0.090 0.000 1.030 8 V CA -0.379 61.888 62.300 -0.055 0.000 0.844 8 V CB 0.464 32.286 31.823 -0.002 0.000 1.015 8 V HN 1.076 nan 8.190 nan 0.000 0.460 9 G N 3.485 112.220 108.800 -0.109 0.000 2.885 9 G HA2 0.323 4.283 3.960 0.000 0.000 0.685 9 G HA3 0.323 4.283 3.960 0.000 0.000 0.685 9 G C -0.050 174.725 174.900 -0.208 0.000 1.216 9 G CA -0.334 44.695 45.100 -0.117 0.000 0.790 9 G HN 1.057 nan 8.290 nan 0.000 0.631 10 G N 0.046 108.757 108.800 -0.148 0.000 3.182 10 G HA2 1.013 4.973 3.960 0.000 0.000 0.167 10 G HA3 1.013 4.973 3.960 0.000 0.000 0.167 10 G C 1.382 176.249 174.900 -0.054 0.000 1.537 10 G CA 1.177 46.152 45.100 -0.208 0.000 1.046 10 G HN 2.681 nan 8.290 nan 0.000 0.580 11 G N -1.709 107.192 108.800 0.167 0.000 2.645 11 G HA2 -0.167 3.793 3.960 0.000 0.000 0.246 11 G HA3 -0.167 3.793 3.960 0.000 0.000 0.246 11 G C 1.039 176.036 174.900 0.162 0.000 1.322 11 G CA 0.804 45.992 45.100 0.146 0.000 0.898 11 G HN 1.057 nan 8.290 nan 0.000 0.573 12 T N 1.029 115.632 114.554 0.082 0.000 2.708 12 T HA 0.074 4.424 4.350 0.000 0.000 0.266 12 T C 2.903 177.599 174.700 -0.006 0.000 1.037 12 T CA 3.130 65.258 62.100 0.046 0.000 1.146 12 T CB -0.659 68.228 68.868 0.032 0.000 0.865 12 T HN 1.519 nan 8.240 nan 0.000 0.435 13 A N 1.445 124.240 122.820 -0.041 0.000 1.877 13 A HA 0.120 4.440 4.320 0.000 0.000 0.216 13 A C 2.648 180.169 177.584 -0.105 0.000 1.186 13 A CA 1.901 53.889 52.037 -0.081 0.000 0.620 13 A CB -1.424 17.528 19.000 -0.080 0.000 0.822 13 A HN 0.507 nan 8.150 nan 0.000 0.443 14 G N -1.727 106.978 108.800 -0.159 0.000 2.421 14 G HA2 -0.240 3.720 3.960 0.000 0.000 0.216 14 G HA3 -0.240 3.720 3.960 0.000 0.000 0.216 14 G C 1.430 176.115 174.900 -0.357 0.000 1.171 14 G CA 0.927 45.833 45.100 -0.323 0.000 0.775 14 G HN 0.673 nan 8.290 nan 0.000 0.543 15 W N 0.157 121.435 121.300 -0.036 0.000 2.518 15 W HA 0.276 4.936 4.660 0.000 0.000 0.273 15 W C 2.847 179.375 176.519 0.015 0.000 1.247 15 W CA -0.088 57.242 57.345 -0.024 0.000 1.288 15 W CB -0.039 29.396 29.460 -0.042 0.000 1.107 15 W HN 0.089 nan 8.180 nan 0.000 0.586 16 M N -0.421 119.283 119.600 0.173 0.000 2.117 16 M HA -0.180 4.300 4.480 0.000 0.000 0.262 16 M C 1.918 178.339 176.300 0.201 0.000 1.065 16 M CA 1.815 57.210 55.300 0.159 0.000 1.114 16 M CB -0.862 31.623 32.600 -0.192 0.000 1.361 16 M HN -0.151 nan 8.290 nan 0.000 0.408 17 T N 0.675 115.264 114.554 0.058 0.000 2.737 17 T HA -0.069 4.281 4.350 0.000 0.000 0.265 17 T C 1.905 176.651 174.700 0.077 0.000 1.038 17 T CA 1.500 63.622 62.100 0.036 0.000 1.144 17 T CB -0.337 68.498 68.868 -0.055 0.000 0.866 17 T HN 0.481 nan 8.240 nan 0.000 0.434 18 A N 2.046 124.899 122.820 0.054 0.000 1.877 18 A HA -0.126 4.194 4.320 0.000 0.000 0.216 18 A C 2.619 180.314 177.584 0.185 0.000 1.186 18 A CA 2.327 54.414 52.037 0.084 0.000 0.620 18 A CB -1.016 18.018 19.000 0.057 0.000 0.822 18 A HN 0.606 nan 8.150 nan 0.000 0.443 19 S N -1.933 113.933 115.700 0.276 0.000 2.383 19 S HA -0.205 4.265 4.470 0.000 0.000 0.227 19 S C 1.974 176.685 174.600 0.184 0.000 1.026 19 S CA 1.461 59.845 58.200 0.307 0.000 0.981 19 S CB -0.789 62.554 63.200 0.238 0.000 0.818 19 S HN 0.570 nan 8.310 nan 0.000 0.472 20 Y N 2.174 122.470 120.300 -0.007 0.000 2.200 20 Y HA 0.120 4.670 4.550 0.000 0.000 0.290 20 Y C 2.135 177.909 175.900 -0.210 0.000 1.137 20 Y CA 1.225 59.227 58.100 -0.163 0.000 1.163 20 Y CB -0.375 38.009 38.460 -0.127 0.000 0.988 20 Y HN 0.187 nan 8.280 nan 0.000 0.518 21 L N -0.141 121.062 121.223 -0.033 0.000 2.043 21 L HA -0.289 4.051 4.340 0.000 0.000 0.212 21 L C 2.447 179.196 176.870 -0.202 0.000 1.075 21 L CA 1.463 56.172 54.840 -0.219 0.000 0.752 21 L CB -0.507 41.518 42.059 -0.056 0.000 0.891 21 L HN 0.097 nan 8.230 nan 0.000 0.432 22 K N -0.140 120.227 120.400 -0.055 0.000 2.103 22 K HA -0.022 4.298 4.320 0.000 0.000 0.204 22 K C 2.178 178.746 176.600 -0.053 0.000 1.052 22 K CA 1.260 57.533 56.287 -0.024 0.000 0.945 22 K CB -0.331 32.175 32.500 0.010 0.000 0.722 22 K HN 0.270 nan 8.250 nan 0.000 0.443 23 A N 1.387 124.176 122.820 -0.051 0.000 1.902 23 A HA -0.111 4.209 4.320 0.000 0.000 0.217 23 A C 2.377 179.896 177.584 -0.108 0.000 1.181 23 A CA 2.148 54.155 52.037 -0.050 0.000 0.623 23 A CB -0.524 18.458 19.000 -0.030 0.000 0.818 23 A HN 0.292 nan 8.150 nan 0.000 0.443 24 A N -1.559 121.093 122.820 -0.280 0.000 1.872 24 A HA 0.198 4.518 4.320 0.000 0.000 0.214 24 A C 1.616 179.101 177.584 -0.166 0.000 1.187 24 A CA 1.516 53.341 52.037 -0.354 0.000 0.614 24 A CB -0.410 18.015 19.000 -0.958 0.000 0.826 24 A HN 0.471 nan 8.150 nan 0.000 0.442 25 F N -1.226 118.651 119.950 -0.121 0.000 2.706 25 F HA 0.234 4.761 4.527 0.000 0.000 0.308 25 F C 0.984 176.729 175.800 -0.093 0.000 1.095 25 F CA -0.748 57.175 58.000 -0.128 0.000 1.244 25 F CB -0.553 38.329 39.000 -0.196 0.000 1.063 25 F HN 0.309 nan 8.300 nan 0.000 0.582 26 D N 1.461 121.903 120.400 0.070 0.000 3.750 26 D HA -0.326 4.314 4.640 0.000 0.000 0.149 26 D C 1.032 177.348 176.300 0.027 0.000 0.867 26 D CA 2.304 56.315 54.000 0.017 0.000 1.010 26 D CB -0.712 40.085 40.800 -0.004 0.000 0.462 26 D HN 0.310 nan 8.370 nan 0.000 0.436 27 D N -0.054 120.350 120.400 0.008 0.000 2.324 27 D HA -0.021 4.619 4.640 0.000 0.000 0.235 27 D C 1.177 177.478 176.300 0.003 0.000 1.095 27 D CA 0.314 54.316 54.000 0.002 0.000 0.871 27 D CB -0.452 40.343 40.800 -0.010 0.000 0.906 27 D HN 0.382 nan 8.370 nan 0.000 0.522 28 R N -0.387 120.118 120.500 0.009 0.000 2.426 28 R HA 0.352 4.692 4.340 0.000 0.000 0.263 28 R C -0.381 175.892 176.300 -0.044 0.000 0.961 28 R CA -0.260 55.820 56.100 -0.033 0.000 1.086 28 R CB 0.300 30.554 30.300 -0.075 0.000 1.186 28 R HN 0.108 nan 8.270 nan 0.000 0.537 29 I N -0.127 120.456 120.570 0.023 0.000 2.775 29 I HA 0.198 4.368 4.170 0.000 0.000 0.295 29 I C -1.741 174.406 176.117 0.050 0.000 1.287 29 I CA -0.907 60.424 61.300 0.051 0.000 1.029 29 I CB 2.181 40.269 38.000 0.146 0.000 1.282 29 I HN -0.140 nan 8.210 nan 0.000 0.426 30 D N 6.103 126.529 120.400 0.043 0.000 2.198 30 D HA 0.599 5.239 4.640 0.000 0.000 0.245 30 D C -0.895 175.421 176.300 0.026 0.000 1.079 30 D CA 0.070 54.087 54.000 0.028 0.000 0.854 30 D CB 2.085 42.894 40.800 0.015 0.000 1.148 30 D HN 0.187 nan 8.370 nan 0.000 0.456 31 V N 1.991 121.917 119.914 0.019 0.000 2.638 31 V HA 0.496 4.617 4.120 0.000 0.000 0.306 31 V C -0.040 176.048 176.094 -0.009 0.000 1.052 31 V CA -0.606 61.696 62.300 0.003 0.000 0.885 31 V CB 2.196 34.032 31.823 0.021 0.000 0.999 31 V HN 0.510 nan 8.190 nan 0.000 0.424 32 T N 5.693 120.219 114.554 -0.047 0.000 2.824 32 T HA 0.643 4.993 4.350 0.000 0.000 0.282 32 T C -0.773 173.873 174.700 -0.090 0.000 0.993 32 T CA -0.329 61.745 62.100 -0.043 0.000 0.967 32 T CB 1.697 70.536 68.868 -0.049 0.000 0.960 32 T HN 0.526 nan 8.240 nan 0.000 0.441 33 L N 3.909 125.081 121.223 -0.085 0.000 2.325 33 L HA 0.721 5.061 4.340 0.000 0.000 0.281 33 L C -1.155 175.681 176.870 -0.056 0.000 1.004 33 L CA -0.743 53.984 54.840 -0.188 0.000 0.823 33 L CB 0.974 42.711 42.059 -0.537 0.000 1.236 33 L HN 0.414 nan 8.230 nan 0.000 0.415 34 V N 4.883 124.749 119.914 -0.081 0.000 2.370 34 V HA 0.491 4.611 4.120 0.000 0.000 0.283 34 V C -0.318 175.754 176.094 -0.036 0.000 1.023 34 V CA -0.460 61.811 62.300 -0.049 0.000 0.857 34 V CB 1.332 33.128 31.823 -0.045 0.000 0.985 34 V HN 0.864 nan 8.190 nan 0.000 0.443 35 E N 2.643 122.851 120.200 0.013 0.000 2.383 35 E HA 0.613 4.963 4.350 0.000 0.000 0.275 35 E C -0.845 175.780 176.600 0.042 0.000 0.918 35 E CA -0.750 55.673 56.400 0.038 0.000 0.764 35 E CB 2.005 31.769 29.700 0.106 0.000 1.252 35 E HN 0.411 nan 8.360 nan 0.000 0.449 36 S N 0.638 116.362 115.700 0.041 0.000 2.585 36 S HA 0.505 4.975 4.470 0.000 0.000 0.273 36 S C 0.281 174.915 174.600 0.057 0.000 1.339 36 S CA 0.225 58.449 58.200 0.040 0.000 1.028 36 S CB 0.438 63.658 63.200 0.033 0.000 0.906 36 S HN 0.629 nan 8.310 nan 0.000 0.528 45 G N 0.267 109.168 108.800 0.167 0.000 2.379 45 G HA2 0.421 4.381 3.960 0.000 0.000 0.609 45 G HA3 0.421 4.381 3.960 0.000 0.000 0.609 45 G C -1.512 173.397 174.900 0.015 0.000 1.484 45 G CA 0.099 45.279 45.100 0.134 0.000 0.921 45 G HN 0.635 nan 8.290 nan 0.000 0.658 46 E N -0.523 119.676 120.200 -0.002 0.000 2.408 46 E HA 0.757 5.107 4.350 0.000 0.000 0.275 46 E C -0.083 176.399 176.600 -0.197 0.000 0.935 46 E CA -0.540 55.788 56.400 -0.119 0.000 0.775 46 E CB 2.264 31.942 29.700 -0.038 0.000 1.277 46 E HN 1.317 nan 8.360 nan 0.000 0.455 47 A N 0.958 123.710 122.820 -0.113 0.000 2.330 47 A HA 0.796 5.116 4.320 0.000 0.000 0.329 47 A C -0.308 177.254 177.584 -0.036 0.000 1.135 47 A CA -0.310 51.724 52.037 -0.006 0.000 0.817 47 A CB 1.512 20.638 19.000 0.210 0.000 1.269 47 A HN 0.599 nan 8.150 nan 0.000 0.469 48 T N -2.032 112.559 114.554 0.061 0.000 2.858 48 T HA 0.780 5.130 4.350 0.000 0.000 0.285 48 T C -0.559 174.400 174.700 0.432 0.000 1.052 48 T CA -0.583 61.622 62.100 0.175 0.000 1.009 48 T CB 0.586 69.602 68.868 0.246 0.000 1.241 48 T HN 0.264 nan 8.240 nan 0.000 0.542 49 F N 1.350 121.384 119.950 0.139 0.000 2.370 49 F HA 0.434 4.961 4.527 0.000 0.000 0.319 49 F C 2.276 177.988 175.800 -0.146 0.000 1.129 49 F CA -1.225 56.838 58.000 0.106 0.000 1.109 49 F CB 1.136 40.152 39.000 0.027 0.000 1.262 49 F HN 0.872 nan 8.300 nan 0.000 0.534 50 S N -0.979 114.508 115.700 -0.355 0.000 2.419 50 S HA -0.168 4.302 4.470 0.000 0.000 0.233 50 S C 1.587 176.167 174.600 -0.034 0.000 1.016 50 S CA 1.418 59.357 58.200 -0.436 0.000 0.974 50 S CB -1.159 61.695 63.200 -0.577 0.000 0.786 50 S HN 0.768 nan 8.310 nan 0.000 0.492 51 T N -0.952 113.707 114.554 0.175 0.000 3.118 51 T HA 0.171 4.521 4.350 0.000 0.000 0.260 51 T C 1.503 176.429 174.700 0.377 0.000 1.139 51 T CA 0.553 62.863 62.100 0.350 0.000 1.085 51 T CB -0.479 68.628 68.868 0.399 0.000 0.934 51 T HN 0.210 nan 8.240 nan 0.000 0.518 52 V N 3.071 123.173 119.914 0.313 0.000 2.828 52 V HA -0.224 3.896 4.120 0.000 0.000 0.260 52 V C 2.822 179.153 176.094 0.396 0.000 1.101 52 V CA 2.002 64.491 62.300 0.314 0.000 1.123 52 V CB -0.789 31.261 31.823 0.377 0.000 0.704 52 V HN 0.713 nan 8.190 nan 0.000 0.493 53 R N -1.162 119.518 120.500 0.300 0.000 2.152 53 R HA -0.199 4.141 4.340 0.000 0.000 0.232 53 R C 2.010 178.370 176.300 0.101 0.000 1.117 53 R CA 1.963 58.179 56.100 0.192 0.000 0.981 53 R CB -0.946 29.202 30.300 -0.254 0.000 0.870 53 R HN 0.606 nan 8.270 nan 0.000 0.451 54 H N -0.102 119.066 119.070 0.163 0.000 2.353 54 H HA -0.138 4.418 4.556 0.000 0.000 0.300 54 H C 1.857 177.327 175.328 0.237 0.000 1.090 54 H CA 1.810 57.965 56.048 0.177 0.000 1.327 54 H CB -0.322 29.543 29.762 0.171 0.000 1.383 54 H HN 0.267 nan 8.280 nan 0.000 0.508 55 F N 1.074 121.115 119.950 0.153 0.000 2.084 55 F HA -0.205 4.322 4.527 0.000 0.000 0.296 55 F C 2.139 177.930 175.800 -0.015 0.000 1.111 55 F CA 1.187 59.191 58.000 0.008 0.000 1.224 55 F CB -0.551 38.279 39.000 -0.283 0.000 0.991 55 F HN -0.120 nan 8.300 nan 0.000 0.471 56 F N 1.077 121.154 119.950 0.212 0.000 2.134 56 F HA -0.176 4.351 4.527 0.000 0.000 0.299 56 F C 2.309 178.103 175.800 -0.010 0.000 1.097 56 F CA 1.658 59.669 58.000 0.017 0.000 1.264 56 F CB -1.102 37.966 39.000 0.113 0.000 1.001 56 F HN -0.012 nan 8.300 nan 0.000 0.479 57 D N -1.323 119.215 120.400 0.229 0.000 2.178 57 D HA -0.224 4.416 4.640 0.000 0.000 0.201 57 D C 2.041 178.381 176.300 0.066 0.000 0.980 57 D CA 1.031 55.103 54.000 0.120 0.000 0.842 57 D CB -0.672 40.168 40.800 0.066 0.000 0.948 57 D HN 0.335 nan 8.370 nan 0.000 0.472 58 Y N 0.524 120.789 120.300 -0.058 0.000 2.181 58 Y HA -0.196 4.354 4.550 0.000 0.000 0.288 58 Y C 1.910 177.681 175.900 -0.215 0.000 1.146 58 Y CA 0.978 58.999 58.100 -0.132 0.000 1.164 58 Y CB -0.025 38.360 38.460 -0.125 0.000 0.982 58 Y HN -0.100 nan 8.280 nan 0.000 0.515 59 L N 0.006 121.188 121.223 -0.068 0.000 2.275 59 L HA 0.071 4.411 4.340 0.000 0.000 0.215 59 L C 1.832 178.708 176.870 0.010 0.000 1.119 59 L CA 1.683 56.436 54.840 -0.145 0.000 0.790 59 L CB -1.004 40.752 42.059 -0.505 0.000 0.919 59 L HN 0.466 nan 8.230 nan 0.000 0.443 60 G N -0.821 107.991 108.800 0.021 0.000 2.142 60 G HA2 -0.225 3.735 3.960 0.000 0.000 0.225 60 G HA3 -0.225 3.735 3.960 0.000 0.000 0.225 60 G C 0.080 175.055 174.900 0.125 0.000 1.015 60 G CA -0.016 45.124 45.100 0.067 0.000 0.716 60 G HN 0.227 nan 8.290 nan 0.000 0.508 61 L N 0.573 121.884 121.223 0.147 0.000 2.325 61 L HA 0.570 4.910 4.340 0.000 0.000 0.279 61 L C 0.050 177.073 176.870 0.255 0.000 1.054 61 L CA -0.909 54.063 54.840 0.220 0.000 0.804 61 L CB 1.511 43.689 42.059 0.199 0.000 1.200 61 L HN 0.201 nan 8.230 nan 0.000 0.436 62 D N 1.786 122.328 120.400 0.237 0.000 2.192 62 D HA 0.060 4.700 4.640 0.000 0.000 0.246 62 D C 0.805 177.138 176.300 0.055 0.000 1.042 62 D CA -0.348 53.749 54.000 0.162 0.000 0.847 62 D CB 1.998 42.855 40.800 0.095 0.000 1.186 62 D HN 0.781 nan 8.370 nan 0.000 0.461 63 E N 3.411 123.564 120.200 -0.079 0.000 2.160 63 E HA -0.230 4.120 4.350 0.000 0.000 0.195 63 E C 1.242 177.414 176.600 -0.714 0.000 0.991 63 E CA 0.880 56.864 56.400 -0.693 0.000 0.810 63 E CB -0.030 29.479 29.700 -0.318 0.000 0.742 63 E HN 0.413 nan 8.360 nan 0.000 0.466 64 R N 0.813 121.138 120.500 -0.293 0.000 2.152 64 R HA -0.081 4.259 4.340 0.000 0.000 0.232 64 R C 2.109 178.263 176.300 -0.243 0.000 1.117 64 R CA 1.520 57.478 56.100 -0.235 0.000 0.981 64 R CB -0.127 30.113 30.300 -0.100 0.000 0.870 64 R HN 0.403 nan 8.270 nan 0.000 0.451 65 E N 0.035 120.124 120.200 -0.185 0.000 2.015 65 E HA -0.180 4.170 4.350 0.000 0.000 0.191 65 E C 1.889 178.364 176.600 -0.208 0.000 0.991 65 E CA 1.496 57.847 56.400 -0.082 0.000 0.802 65 E CB -0.110 29.662 29.700 0.121 0.000 0.759 65 E HN 0.568 nan 8.360 nan 0.000 0.447 66 W N 0.263 121.286 121.300 -0.462 0.000 2.762 66 W HA 0.196 4.856 4.660 0.000 0.000 0.265 66 W C 1.653 177.841 176.519 -0.551 0.000 1.263 66 W CA -0.278 56.604 57.345 -0.772 0.000 1.411 66 W CB -0.597 28.071 29.460 -1.321 0.000 1.065 66 W HN 0.033 nan 8.180 nan 0.000 0.609 67 L N 3.042 123.566 121.223 -1.164 0.000 2.017 67 L HA -0.041 4.299 4.340 0.000 0.000 0.208 67 L C -0.549 176.035 176.870 -0.476 0.000 1.073 67 L CA 2.262 56.491 54.840 -1.018 0.000 0.745 67 L CB -1.854 39.469 42.059 -1.227 0.000 0.894 67 L HN -0.288 nan 8.230 nan 0.000 0.432 68 P HA -0.182 nan 4.420 nan 0.000 0.217 68 P C 1.463 178.634 177.300 -0.215 0.000 1.150 68 P CA 1.397 64.285 63.100 -0.352 0.000 0.832 68 P CB -0.149 31.341 31.700 -0.351 0.000 0.787 69 R N -0.368 120.032 120.500 -0.167 0.000 2.148 69 R HA -0.072 4.268 4.340 0.000 0.000 0.227 69 R C 0.564 176.847 176.300 -0.028 0.000 1.103 69 R CA 1.330 57.388 56.100 -0.071 0.000 0.983 69 R CB -0.654 29.626 30.300 -0.032 0.000 0.874 69 R HN 0.142 nan 8.270 nan 0.000 0.451 70 C N 1.073 120.351 119.300 -0.038 0.000 2.435 70 C HA 0.484 4.944 4.460 0.000 0.000 0.326 70 C C 0.756 175.803 174.990 0.095 0.000 1.328 70 C CA -0.138 58.903 59.018 0.040 0.000 1.741 70 C CB -0.853 26.924 27.740 0.061 0.000 1.998 70 C HN 0.613 nan 8.230 nan 0.000 0.585 71 A N 0.390 123.242 122.820 0.053 0.000 2.783 71 A HA -0.044 4.276 4.320 0.000 0.000 0.292 71 A C 0.828 178.507 177.584 0.157 0.000 1.495 71 A CA 0.751 52.862 52.037 0.124 0.000 0.787 71 A CB -1.733 17.365 19.000 0.164 0.000 1.017 71 A HN 0.875 nan 8.150 nan 0.000 0.516 72 G N -1.535 107.294 108.800 0.048 0.000 2.572 72 G HA2 0.691 4.651 3.960 0.000 0.000 0.261 72 G HA3 0.691 4.651 3.960 0.000 0.000 0.261 72 G C 0.394 175.331 174.900 0.062 0.000 1.197 72 G CA 0.230 45.366 45.100 0.059 0.000 0.870 72 G HN 1.689 nan 8.290 nan 0.000 0.548 73 G N -1.612 107.244 108.800 0.093 0.000 2.766 73 G HA2 0.572 4.532 3.960 0.000 0.000 0.288 73 G HA3 0.572 4.532 3.960 0.000 0.000 0.288 73 G C -1.911 172.950 174.900 -0.065 0.000 1.408 73 G CA -0.826 44.341 45.100 0.111 0.000 0.852 73 G HN 0.470 nan 8.290 nan 0.000 0.487 74 Y N -0.103 120.286 120.300 0.148 0.000 2.387 74 Y HA 0.591 5.141 4.550 0.000 0.000 0.336 74 Y C 0.518 176.364 175.900 -0.090 0.000 1.067 74 Y CA -0.553 57.530 58.100 -0.029 0.000 1.114 74 Y CB 2.393 40.756 38.460 -0.162 0.000 1.208 74 Y HN 0.349 nan 8.280 nan 0.000 0.458 75 K N 3.858 124.247 120.400 -0.017 0.000 2.450 75 K HA 0.406 4.726 4.320 0.000 0.000 0.257 75 K C -0.520 176.285 176.600 0.342 0.000 0.953 75 K CA -0.311 55.985 56.287 0.016 0.000 0.844 75 K CB 0.696 33.062 32.500 -0.223 0.000 1.103 75 K HN 0.855 nan 8.250 nan 0.000 0.429 76 L N 2.630 124.059 121.223 0.344 0.000 2.567 76 L HA 0.308 4.648 4.340 0.000 0.000 0.225 76 L C 0.966 177.982 176.870 0.242 0.000 1.119 76 L CA 0.259 55.303 54.840 0.340 0.000 0.871 76 L CB 0.391 42.535 42.059 0.140 0.000 1.036 76 L HN 0.960 nan 8.230 nan 0.000 0.459 77 G N -0.030 108.856 108.800 0.143 0.000 2.351 77 G HA2 0.248 4.209 3.960 0.000 0.000 0.279 77 G HA3 0.248 4.209 3.960 0.000 0.000 0.279 77 G C -1.689 173.217 174.900 0.010 0.000 1.297 77 G CA -0.788 44.186 45.100 -0.210 0.000 0.886 77 G HN -0.114 nan 8.290 nan 0.000 0.493 78 I N 0.573 121.109 120.570 -0.057 0.000 2.509 78 I HA 0.512 4.682 4.170 0.000 0.000 0.293 78 I C 0.320 176.309 176.117 -0.214 0.000 1.020 78 I CA -0.760 60.475 61.300 -0.109 0.000 1.088 78 I CB 2.194 40.008 38.000 -0.310 0.000 1.267 78 I HN 0.452 nan 8.210 nan 0.000 0.430 79 R N 5.589 125.896 120.500 -0.322 0.000 2.196 79 R HA 0.402 4.742 4.340 0.000 0.000 0.340 79 R C -1.576 174.344 176.300 -0.634 0.000 1.043 79 R CA -0.393 55.330 56.100 -0.628 0.000 0.883 79 R CB 0.475 30.387 30.300 -0.647 0.000 1.078 79 R HN 0.370 nan 8.270 nan 0.000 0.462 80 F N 3.565 123.117 119.950 -0.663 0.000 2.371 80 F HA 0.267 4.794 4.527 0.000 0.000 0.363 80 F C 0.210 175.866 175.800 -0.239 0.000 1.122 80 F CA -0.157 57.492 58.000 -0.584 0.000 1.129 80 F CB 1.313 39.541 39.000 -1.287 0.000 1.173 80 F HN 0.382 nan 8.300 nan 0.000 0.489 81 E N 2.804 123.173 120.200 0.282 0.000 2.222 81 E HA 0.308 4.658 4.350 0.000 0.000 0.267 81 E C -0.339 176.425 176.600 0.272 0.000 0.884 81 E CA -0.837 55.708 56.400 0.240 0.000 0.764 81 E CB 1.348 31.089 29.700 0.067 0.000 1.169 81 E HN 0.499 nan 8.360 nan 0.000 0.413 82 N N 0.860 119.673 118.700 0.188 0.000 2.782 82 N HA -0.177 4.563 4.740 0.000 0.000 0.251 82 N C -0.191 175.246 175.510 -0.123 0.000 1.101 82 N CA 0.838 53.895 53.050 0.012 0.000 0.764 82 N CB -1.213 37.229 38.487 -0.076 0.000 1.122 82 N HN 0.677 nan 8.380 nan 0.000 0.561 83 W N 0.459 121.716 121.300 -0.072 0.000 2.584 83 W HA 0.160 4.820 4.660 0.000 0.000 0.264 83 W C 1.947 178.330 176.519 -0.226 0.000 1.264 83 W CA 0.989 58.226 57.345 -0.181 0.000 1.306 83 W CB 0.151 29.577 29.460 -0.056 0.000 1.110 83 W HN 0.036 nan 8.180 nan 0.000 0.606 84 S N -1.631 114.120 115.700 0.085 0.000 3.465 84 S HA 0.101 4.571 4.470 0.000 0.000 0.179 84 S C -0.109 174.485 174.600 -0.010 0.000 0.922 84 S CA -0.548 57.663 58.200 0.018 0.000 1.168 84 S CB -0.236 63.000 63.200 0.059 0.000 1.229 84 S HN -0.274 nan 8.310 nan 0.000 0.867 85 E N 3.058 123.272 120.200 0.024 0.000 2.344 85 E HA 0.258 4.608 4.350 0.000 0.000 0.270 85 E C -2.592 174.018 176.600 0.017 0.000 1.021 85 E CA -1.934 54.474 56.400 0.014 0.000 0.887 85 E CB 0.139 29.854 29.700 0.024 0.000 0.997 85 E HN 0.127 nan 8.360 nan 0.000 0.429 86 P HA -0.017 nan 4.420 nan 0.000 0.262 86 P C 0.746 178.064 177.300 0.030 0.000 1.182 86 P CA 0.874 63.972 63.100 -0.003 0.000 0.761 86 P CB 0.441 32.134 31.700 -0.012 0.000 0.795 87 G N 1.810 110.640 108.800 0.049 0.000 2.205 87 G HA2 -0.248 3.712 3.960 0.000 0.000 0.261 87 G HA3 -0.248 3.712 3.960 0.000 0.000 0.261 87 G C 0.087 175.083 174.900 0.160 0.000 0.980 87 G CA -0.179 44.977 45.100 0.092 0.000 0.632 87 G HN 0.556 nan 8.290 nan 0.000 0.533 88 E N -0.426 119.854 120.200 0.133 0.000 2.283 88 E HA 0.643 4.993 4.350 0.000 0.000 0.271 88 E C -0.091 176.644 176.600 0.224 0.000 1.031 88 E CA -0.434 56.035 56.400 0.115 0.000 0.868 88 E CB 0.911 30.652 29.700 0.068 0.000 1.094 88 E HN 0.663 nan 8.360 nan 0.000 0.401 89 Y N -0.552 119.809 120.300 0.102 0.000 2.670 89 Y HA 0.673 5.223 4.550 0.000 0.000 0.334 89 Y C -1.250 174.728 175.900 0.130 0.000 1.185 89 Y CA -1.511 56.608 58.100 0.031 0.000 1.053 89 Y CB 0.974 39.344 38.460 -0.150 0.000 1.298 89 Y HN 0.507 nan 8.280 nan 0.000 0.459 90 F N -1.486 118.493 119.950 0.049 0.000 2.741 90 F HA 0.784 5.311 4.527 0.000 0.000 0.313 90 F C -2.414 173.332 175.800 -0.091 0.000 1.153 90 F CA -1.997 56.018 58.000 0.025 0.000 0.931 90 F CB 1.174 40.222 39.000 0.080 0.000 1.335 90 F HN 0.472 nan 8.300 nan 0.000 0.460 91 Y N 0.360 120.846 120.300 0.311 0.000 2.409 91 Y HA 0.390 4.940 4.550 0.000 0.000 0.339 91 Y C -0.371 175.730 175.900 0.334 0.000 1.033 91 Y CA -0.746 57.425 58.100 0.118 0.000 1.094 91 Y CB 1.356 39.792 38.460 -0.039 0.000 1.210 91 Y HN 0.783 nan 8.280 nan 0.000 0.456 92 H N 5.268 124.500 119.070 0.270 0.000 2.597 92 H HA 0.358 4.914 4.556 0.000 0.000 0.303 92 H C -2.796 172.503 175.328 -0.048 0.000 1.057 92 H CA -2.432 53.728 56.048 0.186 0.000 1.261 92 H CB 1.222 31.146 29.762 0.269 0.000 1.397 92 H HN 0.410 nan 8.280 nan 0.000 0.461 93 P HA 0.148 nan 4.420 nan 0.000 0.287 93 P C -0.845 176.210 177.300 -0.408 0.000 1.292 93 P CA -0.846 62.036 63.100 -0.363 0.000 0.879 93 P CB 1.531 32.942 31.700 -0.481 0.000 1.214 94 F N 0.433 120.332 119.950 -0.085 0.000 2.640 94 F HA 0.373 4.900 4.527 0.000 0.000 0.354 94 F C 1.016 176.761 175.800 -0.092 0.000 1.213 94 F CA 0.382 58.366 58.000 -0.027 0.000 1.314 94 F CB -0.284 38.712 39.000 -0.005 0.000 1.679 94 F HN 0.254 nan 8.300 nan 0.000 0.622 95 E N 1.126 121.237 120.200 -0.149 0.000 2.343 95 E HA 0.324 4.674 4.350 0.000 0.000 0.286 95 E C -0.702 175.475 176.600 -0.706 0.000 0.915 95 E CA -0.789 55.450 56.400 -0.269 0.000 0.784 95 E CB 1.416 31.014 29.700 -0.171 0.000 1.251 95 E HN 0.322 nan 8.360 nan 0.000 0.407 96 R N 2.732 122.952 120.500 -0.467 0.000 2.531 96 R HA 0.371 4.711 4.340 0.000 0.000 0.273 96 R C -0.006 176.247 176.300 -0.078 0.000 1.070 96 R CA -0.477 55.347 56.100 -0.461 0.000 1.112 96 R CB 0.650 30.890 30.300 -0.101 0.000 1.049 96 R HN 0.433 nan 8.270 nan 0.000 0.508 97 L N 2.779 124.036 121.223 0.057 0.000 2.426 97 L HA 0.193 4.533 4.340 0.000 0.000 0.271 97 L C 0.898 177.805 176.870 0.062 0.000 1.169 97 L CA 0.045 54.946 54.840 0.102 0.000 0.836 97 L CB 0.339 42.499 42.059 0.169 0.000 1.112 97 L HN 0.380 nan 8.230 nan 0.000 0.465 98 R N 1.513 122.026 120.500 0.022 0.000 2.679 98 R HA 0.417 4.757 4.340 0.000 0.000 0.269 98 R C -0.915 175.419 176.300 0.056 0.000 1.076 98 R CA -0.501 55.608 56.100 0.015 0.000 1.160 98 R CB 0.859 31.137 30.300 -0.036 0.000 1.054 98 R HN 0.317 nan 8.270 nan 0.000 0.507 99 V N 2.526 122.478 119.914 0.064 0.000 2.487 99 V HA 0.328 4.448 4.120 0.000 0.000 0.298 99 V C -0.491 175.672 176.094 0.115 0.000 1.028 99 V CA -0.719 61.653 62.300 0.120 0.000 0.860 99 V CB 1.938 33.815 31.823 0.090 0.000 0.991 99 V HN 0.409 nan 8.190 nan 0.000 0.427 100 V N 3.421 123.468 119.914 0.221 0.000 2.487 100 V HA 0.459 4.579 4.120 0.000 0.000 0.298 100 V C -0.072 176.262 176.094 0.400 0.000 1.028 100 V CA -0.575 61.828 62.300 0.171 0.000 0.860 100 V CB 1.627 33.390 31.823 -0.101 0.000 0.991 100 V HN 0.981 nan 8.190 nan 0.000 0.427 101 D N 4.196 124.749 120.400 0.255 0.000 2.701 101 D HA -0.195 4.445 4.640 0.000 0.000 0.235 101 D C 1.298 177.802 176.300 0.340 0.000 1.155 101 D CA 1.902 56.082 54.000 0.301 0.000 0.649 101 D CB -1.107 39.916 40.800 0.372 0.000 1.050 101 D HN 1.435 nan 8.370 nan 0.000 0.425 102 G N -1.781 107.125 108.800 0.176 0.000 2.176 102 G HA2 -0.307 3.653 3.960 0.000 0.000 0.253 102 G HA3 -0.307 3.653 3.960 0.000 0.000 0.253 102 G C 0.121 174.850 174.900 -0.283 0.000 0.979 102 G CA 0.137 45.196 45.100 -0.069 0.000 0.641 102 G HN 0.405 nan 8.290 nan 0.000 0.530 103 F N 1.396 121.425 119.950 0.132 0.000 2.520 103 F HA 0.551 5.078 4.527 -0.000 0.000 0.322 103 F C 0.442 176.336 175.800 0.157 0.000 1.103 103 F CA -0.881 57.127 58.000 0.014 0.000 0.926 103 F CB 1.492 40.282 39.000 -0.348 0.000 1.154 103 F HN 0.245 nan 8.300 nan 0.000 0.453 104 N N 1.852 120.704 118.700 0.254 0.000 2.354 104 N HA 0.070 4.810 4.740 0.000 0.000 0.246 104 N C 0.708 176.424 175.510 0.342 0.000 1.285 104 N CA -0.356 52.844 53.050 0.250 0.000 0.925 104 N CB 0.529 39.126 38.487 0.184 0.000 1.174 104 N HN 0.475 nan 8.380 nan 0.000 0.478 105 M N -0.390 119.368 119.600 0.263 0.000 2.374 105 M HA 0.000 4.481 4.480 0.000 0.000 0.264 105 M C 1.828 178.390 176.300 0.438 0.000 1.067 105 M CA 1.091 56.545 55.300 0.256 0.000 1.103 105 M CB -1.811 30.781 32.600 -0.014 0.000 1.402 105 M HN 0.830 nan 8.290 nan 0.000 0.444 106 A N 0.292 123.347 122.820 0.391 0.000 1.877 106 A HA -0.140 4.180 4.320 0.000 0.000 0.216 106 A C 2.128 179.917 177.584 0.341 0.000 1.186 106 A CA 1.362 53.642 52.037 0.405 0.000 0.620 106 A CB -0.439 18.657 19.000 0.160 0.000 0.822 106 A HN 0.410 nan 8.150 nan 0.000 0.443 107 E N -0.767 119.566 120.200 0.222 0.000 2.058 107 E HA -0.243 4.107 4.350 0.000 0.000 0.194 107 E C 1.848 178.492 176.600 0.073 0.000 0.997 107 E CA 1.351 57.800 56.400 0.082 0.000 0.801 107 E CB -0.424 29.272 29.700 -0.007 0.000 0.746 107 E HN 0.886 nan 8.360 nan 0.000 0.450 108 W N 0.003 121.438 121.300 0.225 0.000 2.388 108 W HA -0.152 4.508 4.660 0.000 0.000 0.294 108 W C 2.261 179.007 176.519 0.378 0.000 1.212 108 W CA 0.233 57.718 57.345 0.234 0.000 1.271 108 W CB -0.650 28.929 29.460 0.198 0.000 1.126 108 W HN 0.214 nan 8.180 nan 0.000 0.535 109 W N 0.764 122.413 121.300 0.583 0.000 2.335 109 W HA -0.223 4.437 4.660 -0.000 0.000 0.311 109 W C 1.983 178.598 176.519 0.161 0.000 1.213 109 W CA 1.980 59.554 57.345 0.382 0.000 1.274 109 W CB -0.695 29.006 29.460 0.402 0.000 1.148 109 W HN -0.221 nan 8.180 nan 0.000 0.498 110 L N 0.300 121.665 121.223 0.237 0.000 2.079 110 L HA -0.232 4.108 4.340 0.000 0.000 0.210 110 L C 2.626 179.408 176.870 -0.145 0.000 1.081 110 L CA 1.570 56.375 54.840 -0.058 0.000 0.752 110 L CB -1.269 40.816 42.059 0.044 0.000 0.896 110 L HN 0.147 nan 8.230 nan 0.000 0.433 111 A N -0.517 122.281 122.820 -0.038 0.000 1.878 111 A HA -0.010 4.310 4.320 0.000 0.000 0.213 111 A C 1.795 179.367 177.584 -0.021 0.000 1.192 111 A CA 1.446 53.460 52.037 -0.039 0.000 0.619 111 A CB -0.169 18.813 19.000 -0.030 0.000 0.837 111 A HN 0.290 nan 8.150 nan 0.000 0.446 112 V N -3.665 116.283 119.914 0.056 0.000 3.252 112 V HA 0.516 4.636 4.120 0.000 0.000 0.320 112 V C 1.227 177.243 176.094 -0.130 0.000 1.459 112 V CA 0.577 62.888 62.300 0.018 0.000 1.095 112 V CB -0.259 31.658 31.823 0.156 0.000 0.997 112 V HN 0.334 nan 8.190 nan 0.000 0.469 113 G N 0.491 109.098 108.800 -0.321 0.000 2.658 113 G HA2 -0.003 3.957 3.960 0.000 0.000 0.217 113 G HA3 -0.003 3.957 3.960 0.000 0.000 0.217 113 G C 0.444 175.023 174.900 -0.536 0.000 1.319 113 G CA 0.870 45.609 45.100 -0.601 0.000 0.885 113 G HN 0.515 nan 8.290 nan 0.000 0.553 118 S N 2.273 118.002 115.700 0.049 0.000 2.569 118 S HA 0.293 4.763 4.470 0.000 0.000 0.274 118 S C 1.311 175.750 174.600 -0.267 0.000 1.353 118 S CA -0.513 57.689 58.200 0.002 0.000 1.023 118 S CB 0.123 63.273 63.200 -0.083 0.000 0.876 118 S HN 0.677 nan 8.310 nan 0.000 0.540 119 F N 2.703 122.124 119.950 -0.883 0.000 2.065 119 F HA -0.166 4.361 4.527 0.000 0.000 0.298 119 F C 2.623 178.002 175.800 -0.702 0.000 1.112 119 F CA 2.461 59.535 58.000 -1.543 0.000 1.212 119 F CB -1.231 36.881 39.000 -1.480 0.000 0.975 119 F HN 0.778 nan 8.300 nan 0.000 0.476 120 S N -0.748 114.517 115.700 -0.725 0.000 2.402 120 S HA -0.221 4.249 4.470 0.000 0.000 0.229 120 S C 2.075 176.451 174.600 -0.374 0.000 1.021 120 S CA 1.158 59.072 58.200 -0.476 0.000 0.974 120 S CB -0.872 62.481 63.200 0.255 0.000 0.800 120 S HN 0.722 nan 8.310 nan 0.000 0.484 121 E N 1.139 120.947 120.200 -0.654 0.000 2.106 121 E HA -0.032 4.318 4.350 0.000 0.000 0.192 121 E C 2.124 178.521 176.600 -0.339 0.000 0.984 121 E CA 0.919 56.853 56.400 -0.777 0.000 0.806 121 E CB -0.403 28.823 29.700 -0.790 0.000 0.750 121 E HN 0.716 nan 8.360 nan 0.000 0.458 122 A N -0.148 122.486 122.820 -0.309 0.000 1.968 122 A HA -0.108 4.212 4.320 0.000 0.000 0.217 122 A C 2.190 179.763 177.584 -0.018 0.000 1.169 122 A CA 1.087 53.063 52.037 -0.102 0.000 0.638 122 A CB -0.272 18.704 19.000 -0.040 0.000 0.812 122 A HN 0.470 nan 8.150 nan 0.000 0.446 123 C N -2.584 116.504 119.300 -0.353 0.000 2.865 123 C HA 0.361 4.821 4.460 0.000 0.000 0.280 123 C C -0.211 174.465 174.990 -0.523 0.000 1.255 123 C CA -0.421 58.313 59.018 -0.472 0.000 1.705 123 C CB -1.031 26.173 27.740 -0.894 0.000 2.080 123 C HN 0.504 nan 8.230 nan 0.000 0.591 124 Y N 0.080 120.283 120.300 -0.163 0.000 2.338 124 Y HA 0.398 4.948 4.550 0.000 0.000 0.333 124 Y C 0.835 176.707 175.900 -0.047 0.000 0.968 124 Y CA -1.207 56.835 58.100 -0.097 0.000 1.123 124 Y CB 0.528 38.931 38.460 -0.095 0.000 1.165 124 Y HN -0.056 nan 8.280 nan 0.000 0.452 125 L N 0.752 122.056 121.223 0.135 0.000 2.081 125 L HA -0.261 4.079 4.340 0.000 0.000 0.212 125 L C 1.876 178.748 176.870 0.004 0.000 1.080 125 L CA 1.953 56.830 54.840 0.062 0.000 0.754 125 L CB -0.584 41.523 42.059 0.079 0.000 0.893 125 L HN 0.734 nan 8.230 nan 0.000 0.433 126 T N -2.002 112.559 114.554 0.012 0.000 2.737 126 T HA -0.315 4.035 4.350 0.000 0.000 0.269 126 T C 1.749 176.310 174.700 -0.232 0.000 1.040 126 T CA 1.898 63.932 62.100 -0.110 0.000 1.142 126 T CB -0.410 68.390 68.868 -0.113 0.000 0.861 126 T HN 0.498 nan 8.240 nan 0.000 0.456 127 H N 0.901 119.848 119.070 -0.205 0.000 2.319 127 H HA -0.035 4.521 4.556 0.000 0.000 0.297 127 H C 2.477 177.645 175.328 -0.267 0.000 1.097 127 H CA 1.698 57.576 56.048 -0.283 0.000 1.285 127 H CB 0.102 29.868 29.762 0.007 0.000 1.368 127 H HN 0.207 nan 8.280 nan 0.000 0.495 128 R N -0.662 119.872 120.500 0.056 0.000 2.161 128 R HA -0.029 4.311 4.340 0.000 0.000 0.213 128 R C 2.131 178.383 176.300 -0.080 0.000 1.055 128 R CA 0.710 56.832 56.100 0.036 0.000 0.996 128 R CB 0.054 30.390 30.300 0.060 0.000 0.901 128 R HN 0.226 nan 8.270 nan 0.000 0.456 129 L N 0.334 121.462 121.223 -0.158 0.000 2.012 129 L HA -0.261 4.080 4.340 0.000 0.000 0.210 129 L C 2.403 179.176 176.870 -0.162 0.000 1.073 129 L CA 1.679 56.397 54.840 -0.203 0.000 0.748 129 L CB -0.857 41.018 42.059 -0.307 0.000 0.891 129 L HN 0.225 nan 8.230 nan 0.000 0.431 130 C N -0.942 118.197 119.300 -0.269 0.000 2.446 130 C HA -0.099 4.361 4.460 0.000 0.000 0.277 130 C C 2.698 177.675 174.990 -0.022 0.000 1.275 130 C CA 0.266 59.157 59.018 -0.210 0.000 1.727 130 C CB -0.687 26.484 27.740 -0.949 0.000 2.010 130 C HN 0.521 nan 8.230 nan 0.000 0.486 131 E N 0.932 121.066 120.200 -0.111 0.000 2.118 131 E HA -0.137 4.213 4.350 0.000 0.000 0.195 131 E C 2.095 178.736 176.600 0.068 0.000 0.992 131 E CA 1.528 57.959 56.400 0.052 0.000 0.804 131 E CB -0.407 29.351 29.700 0.095 0.000 0.741 131 E HN 0.680 nan 8.360 nan 0.000 0.458 132 A N 0.497 123.332 122.820 0.025 0.000 2.275 132 A HA 0.028 4.348 4.320 0.000 0.000 0.212 132 A C 0.437 178.035 177.584 0.023 0.000 1.201 132 A CA -0.051 51.998 52.037 0.020 0.000 0.843 132 A CB -0.195 18.800 19.000 -0.009 0.000 0.873 132 A HN 0.158 nan 8.150 nan 0.000 0.492 133 K N 0.157 120.586 120.400 0.049 0.000 3.077 133 K HA -0.158 4.162 4.320 0.000 0.000 0.264 133 K C -0.552 176.058 176.600 0.016 0.000 1.008 133 K CA 0.431 56.751 56.287 0.054 0.000 0.740 133 K CB -0.999 31.529 32.500 0.048 0.000 1.273 133 K HN 0.412 nan 8.250 nan 0.000 0.477 134 R N 0.192 120.672 120.500 -0.034 0.000 2.582 134 R HA 0.414 4.754 4.340 0.000 0.000 0.271 134 R C 0.668 176.902 176.300 -0.111 0.000 1.078 134 R CA 0.109 56.159 56.100 -0.083 0.000 1.127 134 R CB 0.613 30.818 30.300 -0.160 0.000 1.038 134 R HN 0.355 nan 8.270 nan 0.000 0.500 135 A N 3.669 126.408 122.820 -0.135 0.000 2.332 135 A HA 0.355 4.675 4.320 0.000 0.000 0.258 135 A C -1.516 175.838 177.584 -0.384 0.000 1.087 135 A CA -1.131 50.748 52.037 -0.265 0.000 0.802 135 A CB 0.141 18.990 19.000 -0.253 0.000 1.042 135 A HN 0.505 nan 8.150 nan 0.000 0.489 136 P HA 0.087 nan 4.420 nan 0.000 0.249 136 P C -0.073 177.077 177.300 -0.251 0.000 1.229 136 P CA 0.575 63.506 63.100 -0.282 0.000 0.788 136 P CB 0.293 31.840 31.700 -0.255 0.000 1.072 137 R N -0.446 119.697 120.500 -0.594 0.000 2.744 137 R HA 0.503 4.843 4.340 0.000 0.000 0.279 137 R C 0.369 176.419 176.300 -0.418 0.000 0.977 137 R CA -1.081 54.678 56.100 -0.569 0.000 0.906 137 R CB 1.558 31.250 30.300 -1.012 0.000 1.197 137 R HN -0.079 nan 8.270 nan 0.000 0.463 138 M N 2.446 121.950 119.600 -0.161 0.000 2.198 138 M HA 0.090 4.570 4.480 0.000 0.000 0.315 138 M C 1.616 177.986 176.300 0.117 0.000 1.134 138 M CA 0.218 55.507 55.300 -0.019 0.000 1.171 138 M CB 0.304 32.910 32.600 0.010 0.000 1.413 138 M HN 0.631 nan 8.290 nan 0.000 0.467 139 L N 1.003 122.323 121.223 0.162 0.000 2.191 139 L HA -0.234 4.106 4.340 0.000 0.000 0.212 139 L C 1.685 178.648 176.870 0.154 0.000 1.103 139 L CA 1.123 56.083 54.840 0.201 0.000 0.769 139 L CB -0.726 41.389 42.059 0.093 0.000 0.908 139 L HN 0.730 nan 8.230 nan 0.000 0.438 140 D N -0.356 120.107 120.400 0.104 0.000 2.378 140 D HA -0.034 4.606 4.640 0.000 0.000 0.227 140 D C 1.499 177.860 176.300 0.100 0.000 1.012 140 D CA 0.905 54.952 54.000 0.078 0.000 0.905 140 D CB 0.058 40.886 40.800 0.048 0.000 0.895 140 D HN 0.306 nan 8.370 nan 0.000 0.532 141 G N -0.111 108.786 108.800 0.161 0.000 2.194 141 G HA2 -0.266 3.694 3.960 0.000 0.000 0.236 141 G HA3 -0.266 3.694 3.960 0.000 0.000 0.236 141 G C 0.343 175.278 174.900 0.057 0.000 0.987 141 G CA 0.292 45.491 45.100 0.165 0.000 0.635 141 G HN 0.843 nan 8.290 nan 0.000 0.520 142 S N 0.375 116.092 115.700 0.028 0.000 2.564 142 S HA 0.668 5.138 4.470 0.000 0.000 0.278 142 S C 0.287 174.868 174.600 -0.032 0.000 1.333 142 S CA -0.457 57.747 58.200 0.007 0.000 1.048 142 S CB 2.283 65.489 63.200 0.010 0.000 0.900 142 S HN 1.228 nan 8.310 nan 0.000 0.505 143 L N 3.628 124.833 121.223 -0.030 0.000 2.397 143 L HA 0.330 4.670 4.340 0.000 0.000 0.271 143 L C 0.978 177.797 176.870 -0.085 0.000 1.148 143 L CA -0.535 54.262 54.840 -0.073 0.000 0.825 143 L CB 0.065 42.062 42.059 -0.105 0.000 1.117 143 L HN 0.823 nan 8.230 nan 0.000 0.456 144 F N 3.076 122.945 119.950 -0.136 0.000 2.269 144 F HA 0.231 4.758 4.527 0.000 0.000 0.301 144 F C 0.948 176.694 175.800 -0.090 0.000 1.082 144 F CA 0.381 58.314 58.000 -0.112 0.000 1.360 144 F CB -0.768 38.156 39.000 -0.126 0.000 1.041 144 F HN 0.478 nan 8.300 nan 0.000 0.512 152 L N 2.342 123.546 121.223 -0.031 0.000 2.478 152 L HA 0.216 4.556 4.340 0.000 0.000 0.223 152 L C 1.726 178.601 176.870 0.008 0.000 1.140 152 L CA 0.956 55.786 54.840 -0.015 0.000 0.842 152 L CB -0.996 41.031 42.059 -0.054 0.000 0.953 152 L HN 1.076 nan 8.230 nan 0.000 0.452 153 G N 0.856 109.647 108.800 -0.014 0.000 2.574 153 G HA2 -0.361 3.599 3.960 0.000 0.000 0.286 153 G HA3 -0.361 3.599 3.960 0.000 0.000 0.286 153 G C 0.073 174.916 174.900 -0.095 0.000 1.212 153 G CA -0.053 45.012 45.100 -0.057 0.000 0.979 153 G HN 0.355 nan 8.290 nan 0.000 0.557 154 R N 1.362 121.752 120.500 -0.184 0.000 2.391 154 R HA 0.551 4.891 4.340 0.000 0.000 0.310 154 R C 0.341 176.681 176.300 0.067 0.000 1.174 154 R CA 0.493 56.383 56.100 -0.350 0.000 1.118 154 R CB 0.763 30.632 30.300 -0.720 0.000 1.134 154 R HN 0.815 nan 8.270 nan 0.000 0.524 155 S N 0.035 115.909 115.700 0.290 0.000 2.667 155 S HA 0.649 5.119 4.470 0.000 0.000 0.292 155 S C 0.025 174.865 174.600 0.400 0.000 1.126 155 S CA -0.784 57.609 58.200 0.322 0.000 0.881 155 S CB 2.103 65.482 63.200 0.298 0.000 1.132 155 S HN 0.370 nan 8.310 nan 0.000 0.492 156 T N -1.309 113.384 114.554 0.231 0.000 2.883 156 T HA 0.544 4.894 4.350 0.000 0.000 0.284 156 T C 1.272 175.850 174.700 -0.204 0.000 1.041 156 T CA -1.065 61.101 62.100 0.109 0.000 1.007 156 T CB 0.295 69.220 68.868 0.095 0.000 1.220 156 T HN 0.483 nan 8.240 nan 0.000 0.552 157 L N 0.531 121.647 121.223 -0.178 0.000 2.089 157 L HA -0.123 4.217 4.340 0.000 0.000 0.213 157 L C 3.128 179.825 176.870 -0.288 0.000 1.079 157 L CA 1.831 56.503 54.840 -0.280 0.000 0.758 157 L CB -0.930 41.136 42.059 0.011 0.000 0.891 157 L HN 0.945 nan 8.230 nan 0.000 0.433 158 A N -0.517 122.191 122.820 -0.187 0.000 2.125 158 A HA -0.183 4.137 4.320 0.000 0.000 0.219 158 A C 1.889 179.423 177.584 -0.082 0.000 1.156 158 A CA 1.500 53.453 52.037 -0.140 0.000 0.671 158 A CB -0.300 18.661 19.000 -0.065 0.000 0.794 158 A HN 0.373 nan 8.150 nan 0.000 0.459 159 E N -0.400 119.740 120.200 -0.101 0.000 2.463 159 E HA 0.064 4.414 4.350 0.000 0.000 0.193 159 E C 0.648 177.299 176.600 0.085 0.000 1.041 159 E CA -0.173 56.236 56.400 0.016 0.000 0.879 159 E CB -0.000 29.759 29.700 0.099 0.000 0.997 159 E HN 0.729 nan 8.360 nan 0.000 0.478 160 Q N 1.141 120.929 119.800 -0.021 0.000 2.263 160 Q HA -0.049 4.291 4.340 0.000 0.000 0.289 160 Q C 0.296 176.379 176.000 0.138 0.000 1.061 160 Q CA 0.421 56.319 55.803 0.159 0.000 0.927 160 Q CB 0.492 29.308 28.738 0.131 0.000 1.154 160 Q HN 0.007 nan 8.270 nan 0.000 0.378 161 R N 2.707 123.301 120.500 0.158 0.000 2.242 161 R HA 0.351 4.691 4.340 0.000 0.000 0.138 161 R C -0.109 176.258 176.300 0.113 0.000 2.004 161 R CA 0.512 56.681 56.100 0.115 0.000 1.618 161 R CB -0.966 29.392 30.300 0.096 0.000 1.371 161 R HN 0.674 nan 8.270 nan 0.000 0.480 162 A N 2.038 124.921 122.820 0.104 0.000 2.466 162 A HA 0.086 4.406 4.320 0.000 0.000 0.238 162 A C 0.028 177.685 177.584 0.121 0.000 1.074 162 A CA -0.044 52.047 52.037 0.090 0.000 0.774 162 A CB 0.074 19.111 19.000 0.061 0.000 1.015 162 A HN 0.254 nan 8.150 nan 0.000 0.498 163 Q N 1.092 120.951 119.800 0.100 0.000 2.286 163 Q HA 0.331 4.671 4.340 0.000 0.000 0.265 163 Q C -0.868 175.178 176.000 0.076 0.000 1.080 163 Q CA 0.194 56.071 55.803 0.124 0.000 0.906 163 Q CB -0.227 28.575 28.738 0.106 0.000 1.227 163 Q HN 0.487 nan 8.270 nan 0.000 0.409 164 F N 7.351 127.275 119.950 -0.043 0.000 2.529 164 F HA 0.265 4.792 4.527 0.000 0.000 0.365 164 F C -1.512 174.190 175.800 -0.162 0.000 1.102 164 F CA -1.967 55.940 58.000 -0.155 0.000 1.271 164 F CB 1.054 39.911 39.000 -0.238 0.000 1.120 164 F HN 0.622 nan 8.300 nan 0.000 0.579 165 P HA 0.019 nan 4.420 nan 0.000 0.255 165 P C -1.549 175.757 177.300 0.011 0.000 1.248 165 P CA 0.731 63.684 63.100 -0.245 0.000 0.807 165 P CB -0.118 31.430 31.700 -0.255 0.000 1.150 166 Y N -2.413 117.739 120.300 -0.247 0.000 2.638 166 Y HA 0.773 5.323 4.550 0.000 0.000 0.335 166 Y C -1.170 174.476 175.900 -0.423 0.000 1.155 166 Y CA -1.797 56.189 58.100 -0.190 0.000 1.046 166 Y CB 0.404 38.834 38.460 -0.051 0.000 1.303 166 Y HN -0.049 nan 8.280 nan 0.000 0.460 167 A N 0.902 123.569 122.820 -0.255 0.000 2.726 167 A HA 0.873 5.193 4.320 0.000 0.000 0.248 167 A C -2.097 175.329 177.584 -0.263 0.000 1.249 167 A CA -1.019 50.797 52.037 -0.368 0.000 0.846 167 A CB 0.790 19.593 19.000 -0.329 0.000 1.391 167 A HN 0.788 nan 8.150 nan 0.000 0.497 168 Y N -0.934 119.425 120.300 0.098 0.000 2.485 168 Y HA 0.560 5.110 4.550 0.000 0.000 0.345 168 Y C -0.241 175.509 175.900 -0.250 0.000 0.998 168 Y CA -0.376 57.717 58.100 -0.012 0.000 1.059 168 Y CB 1.862 40.471 38.460 0.248 0.000 1.234 168 Y HN 0.688 nan 8.280 nan 0.000 0.461 169 H N 2.576 121.735 119.070 0.148 0.000 2.457 169 H HA 0.622 5.178 4.556 0.000 0.000 0.335 169 H C -1.051 174.328 175.328 0.085 0.000 1.115 169 H CA -0.827 55.225 56.048 0.006 0.000 1.219 169 H CB 1.284 31.090 29.762 0.073 0.000 1.471 169 H HN 0.590 nan 8.280 nan 0.000 0.491 170 F N -1.072 119.049 119.950 0.285 0.000 2.713 170 F HA 0.242 4.769 4.527 0.000 0.000 0.311 170 F C -1.175 174.719 175.800 0.157 0.000 1.141 170 F CA -1.475 56.645 58.000 0.201 0.000 0.939 170 F CB 1.309 40.442 39.000 0.223 0.000 1.325 170 F HN 0.298 nan 8.300 nan 0.000 0.453 171 D N 1.836 122.508 120.400 0.453 0.000 2.359 171 D HA 0.278 4.918 4.640 0.000 0.000 0.250 171 D C 1.019 177.496 176.300 0.296 0.000 1.264 171 D CA 0.515 54.697 54.000 0.305 0.000 0.911 171 D CB 1.731 42.644 40.800 0.188 0.000 1.056 171 D HN 0.792 nan 8.370 nan 0.000 0.499 172 A N 4.446 127.481 122.820 0.359 0.000 1.972 172 A HA -0.183 4.137 4.320 0.000 0.000 0.219 172 A C 1.731 179.376 177.584 0.102 0.000 1.169 172 A CA 1.069 53.263 52.037 0.261 0.000 0.635 172 A CB -0.017 19.164 19.000 0.302 0.000 0.810 172 A HN 0.548 nan 8.150 nan 0.000 0.446 173 D N -0.056 120.410 120.400 0.109 0.000 2.117 173 D HA -0.130 4.510 4.640 0.000 0.000 0.197 173 D C 1.777 178.104 176.300 0.046 0.000 0.987 173 D CA 1.225 55.272 54.000 0.078 0.000 0.829 173 D CB -0.219 40.630 40.800 0.083 0.000 0.961 173 D HN 0.386 nan 8.370 nan 0.000 0.460 174 E N 0.483 120.711 120.200 0.046 0.000 2.106 174 E HA -0.066 4.284 4.350 0.000 0.000 0.192 174 E C 2.459 179.050 176.600 -0.014 0.000 0.984 174 E CA 0.149 56.565 56.400 0.027 0.000 0.806 174 E CB -0.211 29.517 29.700 0.046 0.000 0.750 174 E HN 0.152 nan 8.360 nan 0.000 0.458 175 V N 1.564 121.413 119.914 -0.109 0.000 2.343 175 V HA -0.239 3.881 4.120 0.000 0.000 0.247 175 V C 2.433 178.474 176.094 -0.089 0.000 1.051 175 V CA 1.737 63.899 62.300 -0.230 0.000 1.036 175 V CB -0.855 30.584 31.823 -0.640 0.000 0.654 175 V HN 0.232 nan 8.190 nan 0.000 0.451 176 A N -0.052 122.743 122.820 -0.042 0.000 1.908 176 A HA -0.276 4.044 4.320 0.000 0.000 0.218 176 A C 2.402 179.897 177.584 -0.148 0.000 1.181 176 A CA 2.178 54.223 52.037 0.013 0.000 0.627 176 A CB -0.580 18.494 19.000 0.124 0.000 0.818 176 A HN 0.480 nan 8.150 nan 0.000 0.445 177 R N -2.118 118.313 120.500 -0.115 0.000 2.073 177 R HA -0.199 4.141 4.340 0.000 0.000 0.234 177 R C 2.093 178.281 176.300 -0.186 0.000 1.134 177 R CA 1.963 57.953 56.100 -0.183 0.000 0.952 177 R CB -0.531 29.729 30.300 -0.068 0.000 0.850 177 R HN 0.621 nan 8.270 nan 0.000 0.433 178 Y N 1.048 121.241 120.300 -0.178 0.000 2.128 178 Y HA -0.234 4.316 4.550 0.000 0.000 0.284 178 Y C 1.880 177.687 175.900 -0.154 0.000 1.154 178 Y CA 1.904 59.922 58.100 -0.138 0.000 1.149 178 Y CB -0.225 38.172 38.460 -0.105 0.000 0.976 178 Y HN 0.053 nan 8.280 nan 0.000 0.505 179 L N -0.452 120.730 121.223 -0.068 0.000 2.093 179 L HA -0.201 4.139 4.340 0.000 0.000 0.208 179 L C 2.766 179.501 176.870 -0.226 0.000 1.085 179 L CA 1.403 56.200 54.840 -0.071 0.000 0.755 179 L CB -0.921 41.178 42.059 0.067 0.000 0.904 179 L HN 0.366 nan 8.230 nan 0.000 0.435 180 S N -0.104 115.187 115.700 -0.683 0.000 2.370 180 S HA -0.255 4.215 4.470 0.000 0.000 0.226 180 S C 1.722 175.865 174.600 -0.763 0.000 1.033 180 S CA 1.552 58.876 58.200 -1.461 0.000 1.011 180 S CB -0.385 61.546 63.200 -2.116 0.000 0.852 180 S HN 0.494 nan 8.310 nan 0.000 0.457 181 E N 0.006 119.904 120.200 -0.503 0.000 2.072 181 E HA -0.119 4.231 4.350 0.000 0.000 0.191 181 E C 1.888 178.336 176.600 -0.252 0.000 0.985 181 E CA 1.369 57.563 56.400 -0.344 0.000 0.801 181 E CB -0.396 29.110 29.700 -0.323 0.000 0.750 181 E HN 0.769 nan 8.360 nan 0.000 0.452 182 Y N 1.257 121.329 120.300 -0.381 0.000 2.128 182 Y HA -0.307 4.243 4.550 0.000 0.000 0.284 182 Y C 2.226 178.035 175.900 -0.151 0.000 1.154 182 Y CA 1.810 59.753 58.100 -0.262 0.000 1.149 182 Y CB -0.249 38.068 38.460 -0.239 0.000 0.976 182 Y HN 0.015 nan 8.280 nan 0.000 0.505 183 A N 0.196 123.067 122.820 0.085 0.000 1.872 183 A HA -0.112 4.208 4.320 0.000 0.000 0.214 183 A C 2.247 179.837 177.584 0.010 0.000 1.187 183 A CA 1.743 53.855 52.037 0.126 0.000 0.614 183 A CB -1.050 18.166 19.000 0.360 0.000 0.826 183 A HN 0.573 nan 8.150 nan 0.000 0.442 184 I N -0.037 120.503 120.570 -0.050 0.000 2.226 184 I HA -0.264 3.906 4.170 0.000 0.000 0.245 184 I C 2.890 178.962 176.117 -0.076 0.000 1.100 184 I CA 0.986 62.263 61.300 -0.038 0.000 1.374 184 I CB -0.260 37.689 38.000 -0.085 0.000 1.057 184 I HN 0.343 nan 8.210 nan 0.000 0.413 185 A N 0.540 123.276 122.820 -0.139 0.000 2.024 185 A HA -0.179 4.141 4.320 0.000 0.000 0.220 185 A C 2.248 179.733 177.584 -0.165 0.000 1.164 185 A CA 1.492 53.436 52.037 -0.156 0.000 0.643 185 A CB -0.495 18.383 19.000 -0.203 0.000 0.806 185 A HN 0.366 nan 8.150 nan 0.000 0.451 186 R N -1.951 118.434 120.500 -0.191 0.000 2.334 186 R HA 0.276 4.616 4.340 0.000 0.000 0.216 186 R C 1.025 177.276 176.300 -0.083 0.000 0.905 186 R CA 0.600 56.595 56.100 -0.175 0.000 1.064 186 R CB 0.254 30.393 30.300 -0.269 0.000 1.046 186 R HN 0.635 nan 8.270 nan 0.000 0.508 187 G N -0.051 108.721 108.800 -0.047 0.000 2.205 187 G HA2 -0.202 3.758 3.960 0.000 0.000 0.180 187 G HA3 -0.202 3.758 3.960 0.000 0.000 0.180 187 G C -0.013 174.900 174.900 0.022 0.000 1.004 187 G CA -0.448 44.645 45.100 -0.012 0.000 0.670 187 G HN 0.076 nan 8.290 nan 0.000 0.496 188 V N 1.920 121.864 119.914 0.049 0.000 2.572 188 V HA 0.312 4.432 4.120 0.000 0.000 0.291 188 V C 1.253 177.416 176.094 0.115 0.000 1.039 188 V CA -0.083 62.273 62.300 0.094 0.000 1.055 188 V CB 1.283 33.212 31.823 0.178 0.000 0.969 188 V HN 0.439 nan 8.190 nan 0.000 0.482 189 R N 4.297 124.853 120.500 0.094 0.000 2.216 189 R HA 0.206 4.546 4.340 0.000 0.000 0.332 189 R C -0.152 176.251 176.300 0.172 0.000 1.056 189 R CA -0.397 55.765 56.100 0.102 0.000 0.901 189 R CB 0.218 30.548 30.300 0.050 0.000 1.039 189 R HN 0.905 nan 8.270 nan 0.000 0.456 190 H N 4.021 123.143 119.070 0.086 0.000 2.552 190 H HA 0.292 4.848 4.556 0.000 0.000 0.311 190 H C -1.121 174.210 175.328 0.005 0.000 1.071 190 H CA -0.815 55.304 56.048 0.117 0.000 1.307 190 H CB 1.163 31.049 29.762 0.206 0.000 1.416 190 H HN 0.256 nan 8.280 nan 0.000 0.464 191 V N 6.883 126.728 119.914 -0.116 0.000 2.407 191 V HA 0.114 4.234 4.120 0.000 0.000 0.291 191 V C -0.256 175.611 176.094 -0.378 0.000 1.018 191 V CA -0.801 61.274 62.300 -0.374 0.000 0.842 191 V CB 1.438 33.037 31.823 -0.373 0.000 0.996 191 V HN 0.508 nan 8.190 nan 0.000 0.426 192 V N 4.604 124.273 119.914 -0.408 0.000 2.334 192 V HA 0.622 4.742 4.120 0.000 0.000 0.267 192 V C -0.288 175.766 176.094 -0.066 0.000 1.040 192 V CA 0.172 62.346 62.300 -0.210 0.000 0.866 192 V CB 0.994 32.711 31.823 -0.177 0.000 1.019 192 V HN 0.950 nan 8.190 nan 0.000 0.468 193 D N 1.992 122.377 120.400 -0.025 0.000 2.755 193 D HA 0.250 4.890 4.640 0.000 0.000 0.277 193 D C -1.799 174.525 176.300 0.039 0.000 1.261 193 D CA -0.513 53.519 54.000 0.054 0.000 0.759 193 D CB 2.373 43.250 40.800 0.128 0.000 1.279 193 D HN 0.388 nan 8.370 nan 0.000 0.420 194 D N 0.281 120.715 120.400 0.057 0.000 2.175 194 D HA 0.341 4.981 4.640 0.000 0.000 0.248 194 D C -0.090 176.244 176.300 0.056 0.000 1.047 194 D CA -0.307 53.721 54.000 0.047 0.000 0.883 194 D CB 1.984 42.812 40.800 0.045 0.000 1.180 194 D HN -0.032 nan 8.370 nan 0.000 0.438 195 V N 3.327 123.268 119.914 0.046 0.000 2.432 195 V HA -0.002 4.118 4.120 0.000 0.000 0.271 195 V C 1.293 177.431 176.094 0.072 0.000 1.046 195 V CA -0.167 62.167 62.300 0.058 0.000 0.945 195 V CB 1.363 33.206 31.823 0.033 0.000 0.992 195 V HN 0.414 nan 8.190 nan 0.000 0.471 196 Q N 2.477 122.342 119.800 0.109 0.000 2.204 196 Q HA 0.136 4.476 4.340 0.000 0.000 0.198 196 Q C 0.651 176.753 176.000 0.169 0.000 0.946 196 Q CA 0.966 56.837 55.803 0.113 0.000 0.859 196 Q CB 0.474 29.277 28.738 0.108 0.000 0.946 196 Q HN 0.851 nan 8.270 nan 0.000 0.474 197 H N -0.916 118.199 119.070 0.076 0.000 2.974 197 H HA 0.365 4.921 4.556 0.000 0.000 0.366 197 H C -1.532 173.883 175.328 0.145 0.000 1.155 197 H CA -0.512 55.574 56.048 0.062 0.000 1.186 197 H CB 1.937 31.681 29.762 -0.030 0.000 1.799 197 H HN -0.204 nan 8.280 nan 0.000 0.541 198 V N 4.006 123.645 119.914 -0.459 0.000 2.328 198 V HA 0.310 4.430 4.120 0.000 0.000 0.278 198 V C 0.991 176.683 176.094 -0.670 0.000 1.021 198 V CA -0.306 61.749 62.300 -0.407 0.000 0.838 198 V CB 0.936 32.586 31.823 -0.289 0.000 0.999 198 V HN 0.825 nan 8.190 nan 0.000 0.447 199 G N 4.165 112.777 108.800 -0.314 0.000 2.503 199 G HA2 0.499 4.459 3.960 0.000 0.000 0.257 199 G HA3 0.499 4.459 3.960 0.000 0.000 0.257 199 G C -0.576 174.242 174.900 -0.135 0.000 1.214 199 G CA -0.206 44.823 45.100 -0.118 0.000 0.839 199 G HN 0.644 nan 8.290 nan 0.000 0.559 200 Q N -0.112 119.664 119.800 -0.040 0.000 2.397 200 Q HA 0.285 4.625 4.340 0.000 0.000 0.275 200 Q C -0.887 175.127 176.000 0.023 0.000 1.090 200 Q CA -0.950 54.837 55.803 -0.028 0.000 0.809 200 Q CB 2.451 31.175 28.738 -0.024 0.000 1.362 200 Q HN 0.782 nan 8.270 nan 0.000 0.431 201 D N -0.351 120.068 120.400 0.032 0.000 2.478 201 D HA -0.048 4.592 4.640 0.000 0.000 0.274 201 D C 0.804 177.116 176.300 0.020 0.000 1.234 201 D CA -0.278 53.736 54.000 0.024 0.000 1.069 201 D CB 0.426 41.228 40.800 0.004 0.000 1.113 201 D HN 0.659 nan 8.370 nan 0.000 0.571 202 E N -0.559 119.639 120.200 -0.004 0.000 2.268 202 E HA -0.187 4.163 4.350 0.000 0.000 0.195 202 E C 1.434 178.033 176.600 -0.001 0.000 0.995 202 E CA 0.624 57.021 56.400 -0.005 0.000 0.836 202 E CB -0.274 29.415 29.700 -0.018 0.000 0.763 202 E HN 0.368 nan 8.360 nan 0.000 0.491 203 R N 0.134 120.627 120.500 -0.012 0.000 2.297 203 R HA 0.114 4.454 4.340 0.000 0.000 0.197 203 R C 1.133 177.541 176.300 0.180 0.000 0.943 203 R CA 0.488 56.601 56.100 0.021 0.000 1.038 203 R CB 0.388 30.590 30.300 -0.164 0.000 0.957 203 R HN 0.394 nan 8.270 nan 0.000 0.484 204 G N 0.403 109.292 108.800 0.148 0.000 2.157 204 G HA2 -0.218 3.742 3.960 0.000 0.000 0.248 204 G HA3 -0.218 3.742 3.960 0.000 0.000 0.248 204 G C -0.472 174.528 174.900 0.168 0.000 0.979 204 G CA -0.249 44.930 45.100 0.131 0.000 0.650 204 G HN 0.186 nan 8.290 nan 0.000 0.529 205 W N 0.607 121.834 121.300 -0.123 0.000 2.261 205 W HA 0.680 5.340 4.660 -0.000 0.000 0.323 205 W C 1.091 177.496 176.519 -0.189 0.000 1.243 205 W CA -1.259 55.985 57.345 -0.167 0.000 1.210 205 W CB 0.309 29.647 29.460 -0.202 0.000 1.149 205 W HN 0.100 nan 8.180 nan 0.000 0.562 206 I N 3.396 123.895 120.570 -0.119 0.000 2.598 206 I HA -0.117 4.053 4.170 0.000 0.000 0.284 206 I C 1.366 177.324 176.117 -0.264 0.000 1.140 206 I CA 0.511 61.598 61.300 -0.355 0.000 1.420 206 I CB 0.537 38.058 38.000 -0.797 0.000 1.387 206 I HN 0.543 nan 8.210 nan 0.000 0.553 207 S N 3.859 119.446 115.700 -0.188 0.000 2.456 207 S HA 0.353 4.823 4.470 0.000 0.000 0.224 207 S C 0.725 175.335 174.600 0.017 0.000 1.035 207 S CA 0.207 58.397 58.200 -0.017 0.000 0.940 207 S CB 0.602 63.820 63.200 0.029 0.000 0.799 207 S HN 0.874 nan 8.310 nan 0.000 0.508 208 G N 0.593 109.286 108.800 -0.178 0.000 2.368 208 G HA2 0.443 4.403 3.960 0.000 0.000 0.293 208 G HA3 0.443 4.403 3.960 0.000 0.000 0.293 208 G C -1.498 173.263 174.900 -0.231 0.000 1.467 208 G CA -0.278 44.778 45.100 -0.073 0.000 0.804 208 G HN 0.930 nan 8.290 nan 0.000 0.535 209 V N -1.556 118.288 119.914 -0.117 0.000 2.459 209 V HA 0.714 4.834 4.120 0.000 0.000 0.295 209 V C -0.517 175.469 176.094 -0.180 0.000 1.029 209 V CA -1.040 61.192 62.300 -0.113 0.000 0.874 209 V CB 1.363 33.193 31.823 0.012 0.000 0.985 209 V HN 0.780 nan 8.190 nan 0.000 0.438 210 H N 3.928 123.022 119.070 0.040 0.000 2.594 210 H HA 0.497 5.053 4.556 0.000 0.000 0.304 210 H C 0.375 175.748 175.328 0.074 0.000 1.068 210 H CA 0.120 56.214 56.048 0.077 0.000 1.308 210 H CB 1.793 31.626 29.762 0.118 0.000 1.409 210 H HN 0.973 nan 8.280 nan 0.000 0.460 211 T N -0.287 114.360 114.554 0.154 0.000 2.943 211 T HA 0.230 4.580 4.350 0.000 0.000 0.284 211 T C 1.322 176.100 174.700 0.129 0.000 1.015 211 T CA -1.094 61.084 62.100 0.131 0.000 1.042 211 T CB 2.285 71.236 68.868 0.139 0.000 1.055 211 T HN 0.438 nan 8.240 nan 0.000 0.500 212 K N 0.299 120.764 120.400 0.108 0.000 2.097 212 K HA -0.116 4.204 4.320 0.000 0.000 0.206 212 K C 1.734 178.365 176.600 0.053 0.000 1.049 212 K CA 1.735 58.068 56.287 0.076 0.000 0.933 212 K CB -0.019 32.518 32.500 0.062 0.000 0.717 212 K HN 0.702 nan 8.250 nan 0.000 0.442 213 Q N -2.073 117.761 119.800 0.056 0.000 2.126 213 Q HA 0.092 4.432 4.340 0.000 0.000 0.233 213 Q C 0.265 176.142 176.000 -0.205 0.000 0.788 213 Q CA 0.059 55.819 55.803 -0.071 0.000 0.968 213 Q CB 0.846 29.508 28.738 -0.127 0.000 1.163 213 Q HN 0.329 nan 8.270 nan 0.000 0.471 214 H N 0.028 119.111 119.070 0.022 0.000 2.674 214 H HA 0.351 4.907 4.556 0.000 0.000 0.274 214 H C 0.821 176.164 175.328 0.025 0.000 1.121 214 H CA 0.359 56.417 56.048 0.018 0.000 1.132 214 H CB 1.016 30.783 29.762 0.009 0.000 1.606 214 H HN 0.364 nan 8.280 nan 0.000 0.558 215 G N 1.100 109.969 108.800 0.115 0.000 2.575 215 G HA2 -0.344 3.616 3.960 0.000 0.000 0.267 215 G HA3 -0.344 3.616 3.960 0.000 0.000 0.267 215 G C -0.069 174.882 174.900 0.086 0.000 1.264 215 G CA -0.104 45.057 45.100 0.103 0.000 0.935 215 G HN 0.474 nan 8.290 nan 0.000 0.568 216 E N -0.181 120.042 120.200 0.040 0.000 2.259 216 E HA 0.458 4.808 4.350 0.000 0.000 0.281 216 E C -0.107 176.461 176.600 -0.054 0.000 1.037 216 E CA -0.532 55.798 56.400 -0.117 0.000 0.854 216 E CB 0.260 29.850 29.700 -0.184 0.000 1.051 216 E HN 0.397 nan 8.360 nan 0.000 0.409 217 I N 4.753 125.289 120.570 -0.056 0.000 2.330 217 I HA 0.101 4.271 4.170 0.000 0.000 0.286 217 I C 0.087 176.239 176.117 0.058 0.000 1.025 217 I CA -0.351 60.952 61.300 0.006 0.000 1.197 217 I CB 1.197 39.203 38.000 0.011 0.000 1.358 217 I HN 0.421 nan 8.210 nan 0.000 0.467 218 S N 4.326 120.063 115.700 0.061 0.000 2.687 218 S HA 0.963 5.433 4.470 0.000 0.000 0.283 218 S C -0.077 174.555 174.600 0.053 0.000 1.170 218 S CA -0.540 57.748 58.200 0.145 0.000 1.008 218 S CB 2.268 65.530 63.200 0.103 0.000 1.026 218 S HN 0.762 nan 8.310 nan 0.000 0.541 219 G N -0.166 108.667 108.800 0.055 0.000 2.550 219 G HA2 0.456 4.416 3.960 0.000 0.000 0.293 219 G HA3 0.456 4.416 3.960 0.000 0.000 0.293 219 G C -0.838 174.048 174.900 -0.023 0.000 1.402 219 G CA -0.625 44.372 45.100 -0.172 0.000 0.784 219 G HN 0.540 nan 8.290 nan 0.000 0.482 220 D N -1.117 119.282 120.400 -0.001 0.000 2.197 220 D HA 0.071 4.711 4.640 0.000 0.000 0.212 220 D C 0.589 177.083 176.300 0.322 0.000 0.963 220 D CA 0.815 54.957 54.000 0.237 0.000 0.864 220 D CB 0.427 41.383 40.800 0.261 0.000 1.009 220 D HN 0.154 nan 8.370 nan 0.000 0.479 221 L N 0.258 121.528 121.223 0.080 0.000 2.341 221 L HA 0.415 4.755 4.340 0.000 0.000 0.278 221 L C -1.475 175.238 176.870 -0.262 0.000 1.005 221 L CA -0.542 54.353 54.840 0.093 0.000 0.818 221 L CB 1.418 43.488 42.059 0.018 0.000 1.259 221 L HN -0.285 nan 8.230 nan 0.000 0.418 222 F N 4.348 124.258 119.950 -0.067 0.000 2.458 222 F HA 0.608 5.135 4.527 0.000 0.000 0.336 222 F C -0.239 175.461 175.800 -0.168 0.000 1.114 222 F CA -0.803 57.135 58.000 -0.103 0.000 0.987 222 F CB 2.021 40.958 39.000 -0.104 0.000 1.130 222 F HN 0.095 nan 8.300 nan 0.000 0.458 223 V N 2.301 122.194 119.914 -0.035 0.000 2.370 223 V HA 0.209 4.329 4.120 0.000 0.000 0.283 223 V C -0.576 175.482 176.094 -0.060 0.000 1.023 223 V CA -0.777 61.466 62.300 -0.094 0.000 0.857 223 V CB 1.439 33.188 31.823 -0.122 0.000 0.985 223 V HN 0.581 nan 8.190 nan 0.000 0.443 224 D N 3.795 124.156 120.400 -0.065 0.000 2.393 224 D HA 0.212 4.852 4.640 0.000 0.000 0.232 224 D C -0.019 176.242 176.300 -0.065 0.000 1.192 224 D CA -0.171 53.798 54.000 -0.052 0.000 0.882 224 D CB 0.984 41.758 40.800 -0.043 0.000 1.038 224 D HN 0.596 nan 8.370 nan 0.000 0.499 225 C N 3.292 122.544 119.300 -0.080 0.000 2.557 225 C HA 0.147 4.608 4.460 0.000 0.000 0.281 225 C C 1.755 176.689 174.990 -0.094 0.000 1.490 225 C CA -0.299 58.661 59.018 -0.096 0.000 1.771 225 C CB -1.253 26.408 27.740 -0.132 0.000 2.887 225 C HN 0.708 nan 8.230 nan 0.000 0.527 226 T N -2.197 112.311 114.554 -0.077 0.000 3.144 226 T HA 0.440 4.790 4.350 0.000 0.000 0.249 226 T C 1.178 175.820 174.700 -0.097 0.000 1.089 226 T CA 0.830 62.886 62.100 -0.073 0.000 0.989 226 T CB 0.164 69.002 68.868 -0.050 0.000 0.992 226 T HN 0.954 nan 8.240 nan 0.000 0.540 227 G N 1.516 110.235 108.800 -0.135 0.000 2.553 227 G HA2 -0.242 3.718 3.960 0.000 0.000 0.242 227 G HA3 -0.242 3.718 3.960 0.000 0.000 0.242 227 G C 0.167 174.969 174.900 -0.163 0.000 1.277 227 G CA -0.129 44.818 45.100 -0.254 0.000 0.910 227 G HN 0.174 nan 8.290 nan 0.000 0.576 228 F N 1.338 121.211 119.950 -0.128 0.000 2.250 228 F HA -0.032 4.495 4.527 0.000 0.000 0.301 228 F C 2.957 178.658 175.800 -0.165 0.000 1.077 228 F CA 1.912 59.808 58.000 -0.174 0.000 1.348 228 F CB -0.491 38.391 39.000 -0.198 0.000 1.040 228 F HN 0.385 nan 8.300 nan 0.000 0.509 229 R N 0.090 120.619 120.500 0.048 0.000 2.113 229 R HA -0.159 4.181 4.340 0.000 0.000 0.244 229 R C 1.645 177.930 176.300 -0.025 0.000 1.142 229 R CA 1.263 57.361 56.100 -0.003 0.000 0.953 229 R CB -1.180 29.111 30.300 -0.014 0.000 0.860 229 R HN 0.390 nan 8.270 nan 0.000 0.438 230 G N 1.231 110.018 108.800 -0.023 0.000 2.338 230 G HA2 -0.243 3.717 3.960 0.000 0.000 0.296 230 G HA3 -0.243 3.717 3.960 0.000 0.000 0.296 230 G C 0.477 175.362 174.900 -0.026 0.000 1.040 230 G CA 0.389 45.477 45.100 -0.019 0.000 1.004 230 G HN 0.286 nan 8.290 nan 0.000 0.509 231 L N -0.682 120.522 121.223 -0.031 0.000 2.042 231 L HA 0.013 4.353 4.340 0.000 0.000 0.210 231 L C 2.646 179.486 176.870 -0.050 0.000 1.076 231 L CA 2.484 57.303 54.840 -0.035 0.000 0.749 231 L CB -0.238 41.802 42.059 -0.033 0.000 0.893 231 L HN 0.515 nan 8.230 nan 0.000 0.432 232 L N -2.048 119.142 121.223 -0.055 0.000 2.121 232 L HA -0.027 4.313 4.340 0.000 0.000 0.200 232 L C 2.404 179.234 176.870 -0.066 0.000 1.077 232 L CA 0.686 55.478 54.840 -0.080 0.000 0.766 232 L CB -0.627 41.382 42.059 -0.084 0.000 0.931 232 L HN 0.184 nan 8.230 nan 0.000 0.452 233 I N 0.534 121.080 120.570 -0.040 0.000 2.315 233 I HA -0.208 3.962 4.170 0.000 0.000 0.248 233 I C 1.740 177.857 176.117 -0.001 0.000 1.117 233 I CA 1.792 63.081 61.300 -0.019 0.000 1.404 233 I CB -0.207 37.799 38.000 0.009 0.000 1.071 233 I HN 0.255 nan 8.210 nan 0.000 0.419 234 N N -1.109 117.592 118.700 0.001 0.000 2.513 234 N HA 0.018 4.758 4.740 0.000 0.000 0.196 234 N C 1.669 177.175 175.510 -0.008 0.000 1.041 234 N CA 0.434 53.491 53.050 0.010 0.000 0.916 234 N CB -0.133 38.361 38.487 0.010 0.000 1.172 234 N HN 0.226 nan 8.380 nan 0.000 0.444 235 Q N -0.020 119.768 119.800 -0.020 0.000 2.119 235 Q HA -0.011 4.329 4.340 0.000 0.000 0.201 235 Q C 1.224 177.208 176.000 -0.026 0.000 0.972 235 Q CA 1.382 57.173 55.803 -0.021 0.000 0.847 235 Q CB 0.048 28.773 28.738 -0.022 0.000 0.903 235 Q HN 0.367 nan 8.270 nan 0.000 0.433 236 T N 0.593 115.120 114.554 -0.045 0.000 2.953 236 T HA 0.095 4.445 4.350 0.000 0.000 0.247 236 T C 1.682 176.348 174.700 -0.057 0.000 1.029 236 T CA 0.460 62.522 62.100 -0.064 0.000 1.144 236 T CB 0.088 68.889 68.868 -0.112 0.000 0.870 236 T HN 0.099 nan 8.240 nan 0.000 0.446 237 L N 0.641 121.828 121.223 -0.060 0.000 2.558 237 L HA 0.310 4.650 4.340 0.000 0.000 0.225 237 L C 1.719 178.572 176.870 -0.027 0.000 1.128 237 L CA 0.213 55.020 54.840 -0.056 0.000 0.868 237 L CB -0.301 41.710 42.059 -0.079 0.000 1.006 237 L HN 0.517 nan 8.230 nan 0.000 0.454 238 G N 0.594 109.386 108.800 -0.013 0.000 2.176 238 G HA2 -0.237 3.723 3.960 0.000 0.000 0.252 238 G HA3 -0.237 3.723 3.960 0.000 0.000 0.252 238 G C 0.595 175.505 174.900 0.016 0.000 1.024 238 G CA -0.034 45.068 45.100 0.003 0.000 0.755 238 G HN 0.505 nan 8.290 nan 0.000 0.507 239 G N -0.445 108.368 108.800 0.021 0.000 2.432 239 G HA2 0.430 4.390 3.960 0.000 0.000 0.239 239 G HA3 0.430 4.390 3.960 0.000 0.000 0.239 239 G C 0.411 175.352 174.900 0.069 0.000 1.291 239 G CA -0.402 44.722 45.100 0.041 0.000 0.863 239 G HN 0.594 nan 8.290 nan 0.000 0.560 240 R N 0.794 121.334 120.500 0.066 0.000 2.308 240 R HA 0.230 4.570 4.340 0.000 0.000 0.305 240 R C -1.033 175.340 176.300 0.121 0.000 1.053 240 R CA -0.410 55.740 56.100 0.083 0.000 0.957 240 R CB 1.294 31.622 30.300 0.048 0.000 1.022 240 R HN 0.463 nan 8.270 nan 0.000 0.461 241 F N 2.374 122.323 119.950 -0.001 0.000 2.415 241 F HA 0.144 4.671 4.527 0.000 0.000 0.348 241 F C 0.126 175.919 175.800 -0.011 0.000 1.119 241 F CA -0.451 57.541 58.000 -0.013 0.000 1.069 241 F CB 1.426 40.412 39.000 -0.023 0.000 1.124 241 F HN 0.337 nan 8.300 nan 0.000 0.472 242 Q N 5.220 124.714 119.800 -0.509 0.000 2.390 242 Q HA 0.222 4.562 4.340 0.000 0.000 0.249 242 Q C -0.491 175.254 176.000 -0.425 0.000 0.996 242 Q CA -0.409 55.225 55.803 -0.281 0.000 0.899 242 Q CB 1.038 29.688 28.738 -0.146 0.000 1.216 242 Q HN 0.726 nan 8.270 nan 0.000 0.465 243 S N 3.337 119.015 115.700 -0.036 0.000 2.565 243 S HA 0.206 4.676 4.470 0.000 0.000 0.276 243 S C 0.100 174.823 174.600 0.205 0.000 1.326 243 S CA -0.448 57.790 58.200 0.064 0.000 1.045 243 S CB 0.308 63.610 63.200 0.169 0.000 0.918 243 S HN 0.603 nan 8.310 nan 0.000 0.505 244 F N 2.559 122.556 119.950 0.078 0.000 2.641 244 F HA 0.302 4.829 4.527 0.000 0.000 0.302 244 F C 2.169 178.004 175.800 0.058 0.000 1.098 244 F CA -0.578 57.456 58.000 0.057 0.000 1.318 244 F CB -1.233 37.806 39.000 0.066 0.000 1.035 244 F HN 0.487 nan 8.300 nan 0.000 0.551 245 S N 0.577 116.409 115.700 0.220 0.000 2.400 245 S HA -0.197 4.273 4.470 0.000 0.000 0.232 245 S C 1.921 176.580 174.600 0.098 0.000 1.025 245 S CA 1.606 59.887 58.200 0.136 0.000 0.993 245 S CB -0.291 62.966 63.200 0.094 0.000 0.808 245 S HN 0.554 nan 8.310 nan 0.000 0.478 246 D N 1.621 122.081 120.400 0.100 0.000 2.182 246 D HA -0.113 4.527 4.640 0.000 0.000 0.201 246 D C 1.817 178.141 176.300 0.040 0.000 0.986 246 D CA 1.643 55.681 54.000 0.063 0.000 0.847 246 D CB -0.611 40.226 40.800 0.062 0.000 0.942 246 D HN 0.517 nan 8.370 nan 0.000 0.467 247 V N -2.890 117.053 119.914 0.049 0.000 3.523 247 V HA 0.328 4.448 4.120 0.000 0.000 0.255 247 V C 0.946 177.041 176.094 0.000 0.000 1.226 247 V CA -0.208 62.100 62.300 0.013 0.000 1.092 247 V CB -0.163 31.656 31.823 -0.006 0.000 0.817 247 V HN 0.049 nan 8.190 nan 0.000 0.458 248 L N 2.557 123.811 121.223 0.052 0.000 2.462 248 L HA 0.483 4.823 4.340 0.000 0.000 0.255 248 L C -1.912 174.990 176.870 0.052 0.000 1.076 248 L CA -1.148 53.716 54.840 0.040 0.000 0.920 248 L CB 2.295 44.452 42.059 0.164 0.000 1.214 248 L HN 0.029 nan 8.230 nan 0.000 0.472 249 P HA -0.036 nan 4.420 nan 0.000 0.241 249 P C -0.065 177.277 177.300 0.070 0.000 1.191 249 P CA 0.150 63.270 63.100 0.034 0.000 0.771 249 P CB 0.133 31.849 31.700 0.025 0.000 0.929 250 N N 2.745 121.497 118.700 0.086 0.000 2.411 250 N HA -0.050 4.690 4.740 0.000 0.000 0.265 250 N C 1.012 176.550 175.510 0.045 0.000 1.266 250 N CA 0.510 53.619 53.050 0.099 0.000 0.889 250 N CB -0.088 38.525 38.487 0.209 0.000 1.069 250 N HN 0.332 nan 8.380 nan 0.000 0.476 251 N N 1.291 119.943 118.700 -0.080 0.000 2.145 251 N HA 0.081 4.821 4.740 0.000 0.000 0.219 251 N C -0.136 175.246 175.510 -0.213 0.000 1.266 251 N CA 0.079 53.065 53.050 -0.107 0.000 0.902 251 N CB 0.917 39.351 38.487 -0.089 0.000 1.078 251 N HN 0.300 nan 8.380 nan 0.000 0.513 252 R N -0.490 119.750 120.500 -0.433 0.000 2.799 252 R HA 0.852 5.193 4.340 0.000 0.000 0.270 252 R C -1.485 174.518 176.300 -0.495 0.000 1.010 252 R CA -0.870 54.923 56.100 -0.512 0.000 0.916 252 R CB 2.225 32.067 30.300 -0.762 0.000 1.228 252 R HN 0.126 nan 8.270 nan 0.000 0.469 253 A N 0.659 123.406 122.820 -0.122 0.000 2.539 253 A HA 0.690 5.010 4.320 0.000 0.000 0.296 253 A C -1.688 175.969 177.584 0.122 0.000 1.073 253 A CA -0.649 51.428 52.037 0.068 0.000 0.700 253 A CB 2.249 21.354 19.000 0.175 0.000 1.296 253 A HN 0.362 nan 8.150 nan 0.000 0.405 254 V N 0.674 120.589 119.914 0.002 0.000 2.638 254 V HA 0.858 4.978 4.120 0.000 0.000 0.306 254 V C -0.229 175.708 176.094 -0.262 0.000 1.052 254 V CA 0.269 62.431 62.300 -0.228 0.000 0.885 254 V CB 1.457 33.025 31.823 -0.424 0.000 0.999 254 V HN 2.021 nan 8.190 nan 0.000 0.424 255 A N 6.564 129.258 122.820 -0.211 0.000 2.413 255 A HA 0.975 5.295 4.320 0.000 0.000 0.307 255 A C -1.561 175.955 177.584 -0.113 0.000 1.087 255 A CA -0.731 51.198 52.037 -0.181 0.000 0.750 255 A CB 1.861 20.891 19.000 0.051 0.000 1.296 255 A HN 0.917 nan 8.150 nan 0.000 0.423 256 L N 0.833 121.998 121.223 -0.096 0.000 2.445 256 L HA 0.523 4.863 4.340 0.000 0.000 0.262 256 L C -0.370 176.499 176.870 -0.002 0.000 0.974 256 L CA -0.613 54.197 54.840 -0.050 0.000 0.822 256 L CB 2.505 44.517 42.059 -0.079 0.000 1.339 256 L HN 0.843 nan 8.230 nan 0.000 0.409 257 R N 1.813 122.326 120.500 0.022 0.000 2.265 257 R HA 0.562 4.902 4.340 0.000 0.000 0.319 257 R C -1.147 175.160 176.300 0.012 0.000 1.006 257 R CA -0.555 55.568 56.100 0.039 0.000 0.880 257 R CB 1.708 32.041 30.300 0.055 0.000 1.077 257 R HN 0.239 nan 8.270 nan 0.000 0.454 258 V N 5.550 125.468 119.914 0.006 0.000 2.349 258 V HA 0.261 4.381 4.120 0.000 0.000 0.284 258 V C -2.157 173.929 176.094 -0.013 0.000 1.014 258 V CA -2.422 59.870 62.300 -0.012 0.000 0.826 258 V CB 1.421 33.227 31.823 -0.030 0.000 1.009 258 V HN 0.646 nan 8.190 nan 0.000 0.431 259 P HA 0.104 nan 4.420 nan 0.000 0.266 259 P C -0.306 176.967 177.300 -0.046 0.000 1.195 259 P CA -0.041 63.046 63.100 -0.023 0.000 0.768 259 P CB 0.543 32.232 31.700 -0.019 0.000 0.838 260 R N 2.534 122.994 120.500 -0.067 0.000 2.221 260 R HA 0.077 4.417 4.340 0.000 0.000 0.327 260 R C 1.130 177.363 176.300 -0.110 0.000 1.033 260 R CA -0.218 55.825 56.100 -0.095 0.000 0.887 260 R CB 0.460 30.685 30.300 -0.125 0.000 1.057 260 R HN 0.360 nan 8.270 nan 0.000 0.455 261 E N 3.271 123.413 120.200 -0.097 0.000 2.046 261 E HA -0.090 4.260 4.350 0.000 0.000 0.190 261 E C -0.529 175.995 176.600 -0.127 0.000 0.982 261 E CA 1.444 57.787 56.400 -0.095 0.000 0.800 261 E CB 0.228 29.884 29.700 -0.072 0.000 0.756 261 E HN 0.643 nan 8.360 nan 0.000 0.449 262 N N 1.076 119.691 118.700 -0.143 0.000 2.469 262 N HA 0.097 4.837 4.740 0.000 0.000 0.253 262 N C -0.469 174.879 175.510 -0.269 0.000 0.970 262 N CA -0.350 52.595 53.050 -0.175 0.000 0.940 262 N CB 1.515 39.925 38.487 -0.128 0.000 1.128 262 N HN -0.020 nan 8.380 nan 0.000 0.503 263 D N 1.869 122.016 120.400 -0.422 0.000 2.158 263 D HA -0.178 4.462 4.640 0.000 0.000 0.197 263 D C 0.768 176.714 176.300 -0.590 0.000 0.995 263 D CA 1.594 55.112 54.000 -0.803 0.000 0.846 263 D CB 0.220 40.113 40.800 -1.511 0.000 0.941 263 D HN 0.598 nan 8.370 nan 0.000 0.456 264 E N 0.526 120.523 120.200 -0.340 0.000 2.478 264 E HA -0.065 4.285 4.350 0.000 0.000 0.198 264 E C 1.087 177.627 176.600 -0.099 0.000 1.046 264 E CA 0.343 56.651 56.400 -0.153 0.000 0.870 264 E CB 0.001 29.647 29.700 -0.090 0.000 0.818 264 E HN 0.193 nan 8.360 nan 0.000 0.527 265 D N 0.007 120.328 120.400 -0.130 0.000 2.347 265 D HA -0.039 4.601 4.640 0.000 0.000 0.215 265 D C 0.445 176.688 176.300 -0.095 0.000 0.976 265 D CA 0.273 54.215 54.000 -0.097 0.000 0.884 265 D CB -0.061 40.678 40.800 -0.101 0.000 0.915 265 D HN 0.235 nan 8.370 nan 0.000 0.526 266 M N 1.334 120.881 119.600 -0.089 0.000 2.327 266 M HA -0.009 4.471 4.480 0.000 0.000 0.353 266 M C -0.202 176.057 176.300 -0.068 0.000 1.539 266 M CA 0.346 55.615 55.300 -0.052 0.000 1.039 266 M CB 0.303 32.934 32.600 0.052 0.000 1.967 266 M HN -0.282 nan 8.290 nan 0.000 0.459 267 R N 6.752 127.140 120.500 -0.186 0.000 2.349 267 R HA 0.354 4.694 4.340 0.000 0.000 0.299 267 R C -1.995 174.138 176.300 -0.277 0.000 1.027 267 R CA -1.469 54.382 56.100 -0.414 0.000 0.958 267 R CB 0.536 30.260 30.300 -0.959 0.000 1.047 267 R HN 0.457 nan 8.270 nan 0.000 0.468 268 P HA 0.054 nan 4.420 nan 0.000 0.228 268 P C -1.672 175.813 177.300 0.308 0.000 1.764 268 P CA 0.090 63.270 63.100 0.135 0.000 0.929 268 P CB -0.100 31.678 31.700 0.129 0.000 1.675 269 Y N -4.572 115.928 120.300 0.333 0.000 2.662 269 Y HA 0.522 5.072 4.550 0.000 0.000 0.334 269 Y C -0.724 175.359 175.900 0.305 0.000 1.185 269 Y CA -1.334 56.962 58.100 0.327 0.000 1.074 269 Y CB -0.044 38.542 38.460 0.210 0.000 1.330 269 Y HN -0.373 nan 8.280 nan 0.000 0.458 270 T N 1.976 116.854 114.554 0.540 0.000 2.909 270 T HA 0.554 4.904 4.350 0.000 0.000 0.289 270 T C -0.487 174.375 174.700 0.271 0.000 1.005 270 T CA -0.246 62.044 62.100 0.317 0.000 1.084 270 T CB 0.970 70.024 68.868 0.310 0.000 0.975 270 T HN 0.683 nan 8.240 nan 0.000 0.509 271 T N 2.295 116.966 114.554 0.195 0.000 2.823 271 T HA 0.647 4.997 4.350 0.000 0.000 0.279 271 T C -0.426 174.359 174.700 0.141 0.000 0.998 271 T CA -0.698 61.471 62.100 0.114 0.000 0.994 271 T CB 1.400 70.342 68.868 0.123 0.000 0.960 271 T HN 0.660 nan 8.240 nan 0.000 0.448 272 A N 2.703 125.519 122.820 -0.007 0.000 2.293 272 A HA 0.641 4.961 4.320 0.000 0.000 0.312 272 A C 0.084 177.936 177.584 0.446 0.000 1.309 272 A CA -0.691 51.502 52.037 0.259 0.000 0.839 272 A CB 0.403 19.233 19.000 -0.284 0.000 1.155 272 A HN 0.694 nan 8.150 nan 0.000 0.501 273 T N 2.535 117.347 114.554 0.430 0.000 2.756 273 T HA 0.547 4.897 4.350 0.000 0.000 0.290 273 T C 0.486 175.206 174.700 0.034 0.000 0.985 273 T CA 0.046 62.261 62.100 0.191 0.000 0.955 273 T CB 1.236 70.136 68.868 0.052 0.000 0.930 273 T HN 1.000 nan 8.240 nan 0.000 0.451 274 A N 5.781 128.363 122.820 -0.397 0.000 2.520 274 A HA 0.547 4.867 4.320 0.000 0.000 0.245 274 A C 0.385 177.838 177.584 -0.218 0.000 1.072 274 A CA -0.115 51.553 52.037 -0.615 0.000 0.761 274 A CB -0.024 18.253 19.000 -1.206 0.000 1.004 274 A HN 0.706 nan 8.150 nan 0.000 0.499 275 M N 1.663 121.244 119.600 -0.032 0.000 2.861 275 M HA 0.261 4.741 4.480 0.000 0.000 0.294 275 M C 1.774 178.162 176.300 0.147 0.000 1.185 275 M CA -0.007 55.228 55.300 -0.109 0.000 0.809 275 M CB 0.952 33.242 32.600 -0.518 0.000 1.722 275 M HN 0.935 nan 8.290 nan 0.000 0.496 276 S N 0.385 116.128 115.700 0.072 0.000 2.399 276 S HA -0.005 4.465 4.470 0.000 0.000 0.231 276 S C 0.932 175.560 174.600 0.047 0.000 1.022 276 S CA 1.192 59.493 58.200 0.168 0.000 0.983 276 S CB -0.210 63.053 63.200 0.104 0.000 0.803 276 S HN 0.759 nan 8.310 nan 0.000 0.480 277 A N -0.354 122.365 122.820 -0.168 0.000 2.676 277 A HA 0.733 5.053 4.320 0.000 0.000 0.258 277 A C 0.573 177.470 177.584 -1.144 0.000 0.898 277 A CA -0.056 51.515 52.037 -0.777 0.000 1.087 277 A CB -0.064 18.823 19.000 -0.188 0.000 1.214 277 A HN 1.297 nan 8.150 nan 0.000 0.474 278 G N -0.566 107.700 108.800 -0.889 0.000 2.403 278 G HA2 0.338 4.298 3.960 0.000 0.000 0.223 278 G HA3 0.338 4.298 3.960 0.000 0.000 0.223 278 G C -1.259 173.836 174.900 0.325 0.000 1.287 278 G CA 0.058 45.050 45.100 -0.179 0.000 0.982 278 G HN 1.312 nan 8.290 nan 0.000 0.471 279 W N -0.800 120.658 121.300 0.263 0.000 3.075 279 W HA 0.786 5.446 4.660 0.000 0.000 0.334 279 W C -1.370 175.248 176.519 0.165 0.000 1.243 279 W CA -1.536 55.889 57.345 0.135 0.000 1.170 279 W CB 1.302 30.908 29.460 0.244 0.000 1.452 279 W HN 0.811 nan 8.180 nan 0.000 0.572 280 M N 3.320 122.988 119.600 0.114 0.000 2.311 280 M HA 0.414 4.894 4.480 0.000 0.000 0.325 280 M C -1.155 175.256 176.300 0.185 0.000 1.061 280 M CA -0.518 54.691 55.300 -0.153 0.000 0.957 280 M CB 2.043 34.489 32.600 -0.256 0.000 1.646 280 M HN 0.504 nan 8.290 nan 0.000 0.434 281 W N 4.140 125.431 121.300 -0.016 0.000 2.313 281 W HA 0.700 5.360 4.660 0.000 0.000 0.328 281 W C -1.606 174.963 176.519 0.083 0.000 1.197 281 W CA -0.551 56.923 57.345 0.214 0.000 1.235 281 W CB 0.375 29.968 29.460 0.223 0.000 1.158 281 W HN 0.540 nan 8.180 nan 0.000 0.578 282 T N 5.552 120.341 114.554 0.392 0.000 2.864 282 T HA 0.443 4.793 4.350 0.000 0.000 0.299 282 T C -0.562 174.257 174.700 0.199 0.000 1.011 282 T CA -0.466 61.775 62.100 0.235 0.000 0.975 282 T CB 0.333 69.248 68.868 0.077 0.000 0.962 282 T HN 0.389 nan 8.240 nan 0.000 0.448 283 I N 5.685 126.374 120.570 0.199 0.000 2.359 283 I HA 0.296 4.466 4.170 0.000 0.000 0.284 283 I C -2.422 173.583 176.117 -0.186 0.000 1.018 283 I CA -2.623 58.621 61.300 -0.093 0.000 1.173 283 I CB 1.837 39.830 38.000 -0.012 0.000 1.326 283 I HN 0.249 nan 8.210 nan 0.000 0.462 284 P HA 0.290 nan 4.420 nan 0.000 0.281 284 P C -0.562 176.710 177.300 -0.047 0.000 1.286 284 P CA 0.053 63.040 63.100 -0.188 0.000 0.772 284 P CB 0.654 32.240 31.700 -0.189 0.000 0.862 285 L N 2.585 123.839 121.223 0.051 0.000 2.347 285 L HA 0.434 4.774 4.340 0.000 0.000 0.268 285 L C 1.653 178.634 176.870 0.186 0.000 1.019 285 L CA -0.858 54.075 54.840 0.154 0.000 0.806 285 L CB 0.355 42.509 42.059 0.158 0.000 1.339 285 L HN 0.240 nan 8.230 nan 0.000 0.463 286 F N 0.180 120.184 119.950 0.090 0.000 2.171 286 F HA -0.125 4.402 4.527 0.000 0.000 0.300 286 F C 1.819 177.708 175.800 0.149 0.000 1.090 286 F CA 1.560 59.627 58.000 0.113 0.000 1.293 286 F CB 0.326 39.363 39.000 0.062 0.000 1.013 286 F HN 0.245 nan 8.300 nan 0.000 0.486 287 K N 0.679 121.078 120.400 -0.001 0.000 2.501 287 K HA 0.197 4.517 4.320 0.000 0.000 0.204 287 K C -0.693 175.881 176.600 -0.044 0.000 1.067 287 K CA -0.016 56.210 56.287 -0.101 0.000 1.060 287 K CB 0.638 33.123 32.500 -0.025 0.000 0.873 287 K HN 0.422 nan 8.250 nan 0.000 0.540 288 R N -0.783 119.714 120.500 -0.005 0.000 2.690 288 R HA 0.394 4.734 4.340 0.000 0.000 0.269 288 R C -1.698 174.608 176.300 0.011 0.000 1.037 288 R CA -0.792 55.308 56.100 0.001 0.000 0.877 288 R CB 0.838 31.156 30.300 0.030 0.000 1.255 288 R HN -0.292 nan 8.270 nan 0.000 0.467 289 D N 0.684 121.085 120.400 0.002 0.000 2.163 289 D HA 0.331 4.971 4.640 0.000 0.000 0.248 289 D C -0.241 176.094 176.300 0.058 0.000 1.035 289 D CA -0.215 53.792 54.000 0.012 0.000 0.872 289 D CB 2.004 42.794 40.800 -0.017 0.000 1.183 289 D HN 0.678 nan 8.370 nan 0.000 0.445 290 G N 1.667 110.541 108.800 0.123 0.000 2.325 290 G HA2 0.296 4.256 3.960 0.000 0.000 0.298 290 G HA3 0.296 4.256 3.960 0.000 0.000 0.298 290 G C -0.094 174.962 174.900 0.259 0.000 1.134 290 G CA -0.506 44.733 45.100 0.230 0.000 0.876 290 G HN 0.301 nan 8.290 nan 0.000 0.452 291 N N 0.535 119.257 118.700 0.037 0.000 2.284 291 N HA 0.651 5.391 4.740 0.000 0.000 0.300 291 N C -0.394 174.632 175.510 -0.807 0.000 1.047 291 N CA -0.330 52.528 53.050 -0.320 0.000 0.821 291 N CB 2.470 40.826 38.487 -0.219 0.000 1.337 291 N HN 0.690 nan 8.380 nan 0.000 0.482 292 G N 0.852 108.588 108.800 -1.773 0.000 2.731 292 G HA2 0.305 4.265 3.960 0.000 0.000 0.298 292 G HA3 0.305 4.265 3.960 0.000 0.000 0.298 292 G C -1.967 172.188 174.900 -1.242 0.000 1.424 292 G CA -0.274 43.644 45.100 -1.970 0.000 1.029 292 G HN 0.335 nan 8.290 nan 0.000 0.518 293 Y N 3.341 123.178 120.300 -0.772 0.000 2.385 293 Y HA 0.542 5.092 4.550 0.000 0.000 0.341 293 Y C -0.339 175.394 175.900 -0.279 0.000 0.965 293 Y CA -1.498 56.318 58.100 -0.474 0.000 1.180 293 Y CB 1.297 39.569 38.460 -0.313 0.000 1.139 293 Y HN 0.277 nan 8.280 nan 0.000 0.502 294 V N 9.546 129.369 119.914 -0.151 0.000 2.432 294 V HA 0.297 4.417 4.120 0.000 0.000 0.275 294 V C -0.655 175.434 176.094 -0.008 0.000 1.043 294 V CA -0.282 61.934 62.300 -0.139 0.000 0.925 294 V CB -0.011 31.616 31.823 -0.328 0.000 0.985 294 V HN 0.690 nan 8.190 nan 0.000 0.466 295 Y N 2.029 122.197 120.300 -0.219 0.000 2.655 295 Y HA 0.759 5.309 4.550 0.000 0.000 0.336 295 Y C -0.360 175.502 175.900 -0.064 0.000 1.154 295 Y CA -1.231 56.711 58.100 -0.264 0.000 1.055 295 Y CB 1.768 39.829 38.460 -0.665 0.000 1.295 295 Y HN 0.380 nan 8.280 nan 0.000 0.465 296 S N 0.808 116.588 115.700 0.133 0.000 2.442 296 S HA 0.208 4.678 4.470 0.000 0.000 0.297 296 S C 0.085 174.855 174.600 0.284 0.000 1.131 296 S CA -0.301 58.008 58.200 0.182 0.000 1.092 296 S CB 0.378 63.830 63.200 0.420 0.000 0.998 296 S HN 0.793 nan 8.310 nan 0.000 0.478 297 D N 3.688 124.160 120.400 0.119 0.000 2.371 297 D HA -0.085 4.555 4.640 0.000 0.000 0.221 297 D C 1.033 177.387 176.300 0.091 0.000 0.986 297 D CA 0.664 54.769 54.000 0.175 0.000 0.899 297 D CB -0.145 40.711 40.800 0.093 0.000 0.902 297 D HN 0.767 nan 8.370 nan 0.000 0.530 298 E N -0.939 119.294 120.200 0.055 0.000 2.268 298 E HA -0.078 4.272 4.350 0.000 0.000 0.195 298 E C 0.781 177.199 176.600 -0.304 0.000 0.995 298 E CA 0.712 57.018 56.400 -0.157 0.000 0.836 298 E CB -0.136 29.401 29.700 -0.272 0.000 0.763 298 E HN 0.406 nan 8.360 nan 0.000 0.491 299 F N -0.485 119.520 119.950 0.092 0.000 2.727 299 F HA 0.347 4.874 4.527 0.000 0.000 0.302 299 F C 0.746 176.579 175.800 0.055 0.000 1.107 299 F CA -0.072 57.985 58.000 0.094 0.000 1.277 299 F CB 1.194 40.304 39.000 0.185 0.000 1.079 299 F HN -0.159 nan 8.300 nan 0.000 0.594 300 I N -0.354 120.335 120.570 0.198 0.000 2.775 300 I HA 0.297 4.467 4.170 0.000 0.000 0.295 300 I C -0.401 175.726 176.117 0.016 0.000 1.287 300 I CA -0.791 60.539 61.300 0.051 0.000 1.029 300 I CB 1.689 39.654 38.000 -0.058 0.000 1.282 300 I HN -0.063 nan 8.210 nan 0.000 0.426 301 S N 5.809 121.486 115.700 -0.039 0.000 2.617 301 S HA 0.491 4.962 4.470 0.000 0.000 0.269 301 S C -2.151 172.380 174.600 -0.115 0.000 1.292 301 S CA -0.866 57.318 58.200 -0.026 0.000 1.010 301 S CB 1.338 64.520 63.200 -0.030 0.000 0.944 301 S HN 0.504 nan 8.310 nan 0.000 0.536 302 P HA -0.041 nan 4.420 nan 0.000 0.216 302 P C 0.962 178.233 177.300 -0.048 0.000 1.150 302 P CA 1.157 64.248 63.100 -0.014 0.000 0.837 302 P CB 0.011 31.716 31.700 0.009 0.000 0.786 303 E N -0.112 120.045 120.200 -0.070 0.000 2.072 303 E HA -0.171 4.179 4.350 0.000 0.000 0.191 303 E C 1.945 178.515 176.600 -0.050 0.000 0.985 303 E CA 1.196 57.569 56.400 -0.045 0.000 0.801 303 E CB -0.743 28.929 29.700 -0.048 0.000 0.750 303 E HN 0.410 nan 8.360 nan 0.000 0.452 304 E N 0.279 120.430 120.200 -0.081 0.000 2.106 304 E HA -0.136 4.214 4.350 0.000 0.000 0.192 304 E C 2.036 178.566 176.600 -0.117 0.000 0.984 304 E CA 0.881 57.233 56.400 -0.080 0.000 0.806 304 E CB -0.150 29.507 29.700 -0.072 0.000 0.750 304 E HN 0.267 nan 8.360 nan 0.000 0.458 305 A N 1.533 124.184 122.820 -0.282 0.000 1.877 305 A HA -0.267 4.053 4.320 0.000 0.000 0.216 305 A C 2.089 179.593 177.584 -0.135 0.000 1.186 305 A CA 1.661 53.428 52.037 -0.450 0.000 0.620 305 A CB -0.484 17.719 19.000 -1.329 0.000 0.822 305 A HN 0.248 nan 8.150 nan 0.000 0.443 306 E N -0.421 119.727 120.200 -0.085 0.000 2.085 306 E HA -0.221 4.129 4.350 0.000 0.000 0.194 306 E C 2.302 178.891 176.600 -0.019 0.000 0.994 306 E CA 1.076 57.461 56.400 -0.025 0.000 0.801 306 E CB -0.115 29.631 29.700 0.077 0.000 0.743 306 E HN 0.557 nan 8.360 nan 0.000 0.453 307 R N 0.247 120.737 120.500 -0.017 0.000 2.091 307 R HA -0.169 4.171 4.340 0.000 0.000 0.238 307 R C 2.447 178.732 176.300 -0.024 0.000 1.136 307 R CA 1.642 57.731 56.100 -0.019 0.000 0.959 307 R CB -0.221 30.068 30.300 -0.018 0.000 0.856 307 R HN 0.303 nan 8.270 nan 0.000 0.437 308 E N 0.563 120.758 120.200 -0.008 0.000 2.072 308 E HA -0.197 4.153 4.350 0.000 0.000 0.191 308 E C 1.974 178.520 176.600 -0.090 0.000 0.985 308 E CA 0.798 57.180 56.400 -0.031 0.000 0.801 308 E CB 0.020 29.737 29.700 0.028 0.000 0.750 308 E HN 0.093 nan 8.360 nan 0.000 0.452 309 L N 1.419 122.611 121.223 -0.052 0.000 1.989 309 L HA -0.189 4.151 4.340 0.000 0.000 0.211 309 L C 2.322 179.127 176.870 -0.109 0.000 1.071 309 L CA 1.828 56.597 54.840 -0.117 0.000 0.749 309 L CB -0.383 41.630 42.059 -0.077 0.000 0.890 309 L HN 0.005 nan 8.230 nan 0.000 0.431 310 R N -0.942 119.513 120.500 -0.075 0.000 2.083 310 R HA -0.126 4.214 4.340 0.000 0.000 0.237 310 R C 2.244 178.506 176.300 -0.063 0.000 1.137 310 R CA 1.614 57.675 56.100 -0.064 0.000 0.951 310 R CB -0.543 29.730 30.300 -0.044 0.000 0.851 310 R HN 0.414 nan 8.270 nan 0.000 0.434 311 S N -0.197 115.467 115.700 -0.060 0.000 2.399 311 S HA -0.114 4.356 4.470 0.000 0.000 0.231 311 S C 1.802 176.360 174.600 -0.070 0.000 1.022 311 S CA 1.694 59.860 58.200 -0.057 0.000 0.983 311 S CB -0.122 63.047 63.200 -0.051 0.000 0.803 311 S HN 0.414 nan 8.310 nan 0.000 0.480 312 T N 1.210 115.707 114.554 -0.095 0.000 2.894 312 T HA 0.018 4.368 4.350 0.000 0.000 0.258 312 T C 1.927 176.570 174.700 -0.095 0.000 1.043 312 T CA 1.388 63.423 62.100 -0.107 0.000 1.141 312 T CB -0.052 68.722 68.868 -0.157 0.000 0.873 312 T HN 0.470 nan 8.240 nan 0.000 0.449 313 V N -2.570 117.286 119.914 -0.097 0.000 3.612 313 V HA 0.820 4.940 4.120 0.000 0.000 0.268 313 V C 0.717 176.771 176.094 -0.068 0.000 1.365 313 V CA 0.201 62.450 62.300 -0.086 0.000 1.044 313 V CB 0.203 31.964 31.823 -0.103 0.000 0.820 313 V HN 0.291 nan 8.190 nan 0.000 0.444 314 A N 1.329 124.111 122.820 -0.062 0.000 3.426 314 A HA 0.612 4.932 4.320 0.000 0.000 0.222 314 A C -2.940 174.618 177.584 -0.042 0.000 1.090 314 A CA -0.664 51.344 52.037 -0.049 0.000 1.026 314 A CB -0.061 18.911 19.000 -0.047 0.000 1.342 314 A HN 0.368 nan 8.150 nan 0.000 0.695 315 P HA 0.302 nan 4.420 nan 0.000 0.268 315 P C 1.017 178.301 177.300 -0.027 0.000 1.205 315 P CA 1.893 64.973 63.100 -0.034 0.000 0.771 315 P CB 0.812 32.492 31.700 -0.033 0.000 0.858 316 G N 2.678 111.465 108.800 -0.022 0.000 2.249 316 G HA2 -0.242 3.718 3.960 0.000 0.000 0.273 316 G HA3 -0.242 3.718 3.960 0.000 0.000 0.273 316 G C 0.278 175.168 174.900 -0.017 0.000 1.036 316 G CA -0.238 44.852 45.100 -0.018 0.000 0.824 316 G HN 0.569 nan 8.290 nan 0.000 0.504 317 R N 0.407 120.896 120.500 -0.018 0.000 3.194 317 R HA 0.227 4.567 4.340 0.000 0.000 0.306 317 R C 0.318 176.610 176.300 -0.012 0.000 1.347 317 R CA -0.547 55.543 56.100 -0.016 0.000 1.540 317 R CB 0.303 30.590 30.300 -0.021 0.000 1.352 317 R HN 0.268 nan 8.270 nan 0.000 0.621 318 D N 0.884 121.279 120.400 -0.008 0.000 2.371 318 D HA -0.130 4.510 4.640 0.000 0.000 0.221 318 D C 1.134 177.435 176.300 0.000 0.000 0.986 318 D CA 0.772 54.770 54.000 -0.003 0.000 0.899 318 D CB 0.342 41.141 40.800 -0.002 0.000 0.902 318 D HN 0.435 nan 8.370 nan 0.000 0.530 319 D N 0.516 120.915 120.400 -0.001 0.000 2.263 319 D HA -0.157 4.483 4.640 0.000 0.000 0.208 319 D C 0.793 177.095 176.300 0.004 0.000 0.971 319 D CA 0.334 54.335 54.000 0.002 0.000 0.867 319 D CB -0.095 40.705 40.800 0.000 0.000 0.929 319 D HN 0.235 nan 8.370 nan 0.000 0.492 320 L N 1.038 122.261 121.223 -0.000 0.000 2.275 320 L HA 0.285 4.625 4.340 0.000 0.000 0.288 320 L C 0.485 177.357 176.870 0.003 0.000 1.046 320 L CA -0.590 54.250 54.840 0.001 0.000 0.805 320 L CB 1.542 43.596 42.059 -0.008 0.000 1.193 320 L HN -0.117 nan 8.230 nan 0.000 0.426 321 E N 2.218 122.424 120.200 0.011 0.000 2.289 321 E HA 0.441 4.791 4.350 0.000 0.000 0.278 321 E C -0.517 176.088 176.600 0.008 0.000 1.032 321 E CA -0.565 55.846 56.400 0.018 0.000 0.854 321 E CB 1.349 31.066 29.700 0.029 0.000 1.046 321 E HN 0.681 nan 8.360 nan 0.000 0.409 322 A N 4.844 127.666 122.820 0.003 0.000 2.331 322 A HA 0.239 4.559 4.320 0.000 0.000 0.283 322 A C -0.192 177.375 177.584 -0.029 0.000 1.142 322 A CA -0.547 51.461 52.037 -0.050 0.000 0.812 322 A CB 0.605 19.555 19.000 -0.083 0.000 1.074 322 A HN 0.675 nan 8.150 nan 0.000 0.497 323 N N 1.182 119.838 118.700 -0.073 0.000 2.392 323 N HA 0.240 4.981 4.740 0.000 0.000 0.283 323 N C -1.326 174.126 175.510 -0.097 0.000 1.003 323 N CA -0.287 52.758 53.050 -0.009 0.000 0.892 323 N CB 0.780 39.296 38.487 0.049 0.000 1.193 323 N HN 0.718 nan 8.380 nan 0.000 0.487 324 H N 3.269 122.376 119.070 0.062 0.000 2.458 324 H HA 0.433 4.989 4.556 0.000 0.000 0.330 324 H C -0.298 175.074 175.328 0.074 0.000 1.111 324 H CA -0.356 55.735 56.048 0.071 0.000 1.245 324 H CB 2.062 31.858 29.762 0.057 0.000 1.456 324 H HN 0.400 nan 8.280 nan 0.000 0.488 325 I N 2.704 123.382 120.570 0.180 0.000 2.619 325 I HA 0.130 4.300 4.170 0.000 0.000 0.292 325 I C -0.275 175.885 176.117 0.071 0.000 1.100 325 I CA -0.545 60.835 61.300 0.133 0.000 1.043 325 I CB 2.348 40.443 38.000 0.158 0.000 1.239 325 I HN 0.530 nan 8.210 nan 0.000 0.420 326 Q N 6.025 125.840 119.800 0.025 0.000 2.241 326 Q HA 0.594 4.934 4.340 0.000 0.000 0.254 326 Q C -0.878 175.005 176.000 -0.195 0.000 0.917 326 Q CA -0.496 55.258 55.803 -0.081 0.000 0.919 326 Q CB 2.385 31.067 28.738 -0.094 0.000 1.237 326 Q HN 0.477 nan 8.270 nan 0.000 0.434 327 M N 1.763 121.191 119.600 -0.286 0.000 2.404 327 M HA 0.445 4.925 4.480 0.000 0.000 0.338 327 M C -0.299 175.556 176.300 -0.742 0.000 1.150 327 M CA -0.557 54.402 55.300 -0.568 0.000 1.016 327 M CB 1.873 34.467 32.600 -0.010 0.000 1.672 327 M HN 0.330 nan 8.290 nan 0.000 0.448 328 R N 3.170 122.830 120.500 -1.399 0.000 2.230 328 R HA 0.417 4.757 4.340 0.000 0.000 0.337 328 R C -1.269 174.985 176.300 -0.077 0.000 1.063 328 R CA -0.390 55.293 56.100 -0.696 0.000 0.935 328 R CB 0.443 30.259 30.300 -0.807 0.000 1.121 328 R HN 0.639 nan 8.270 nan 0.000 0.486 329 I N 4.306 124.940 120.570 0.108 0.000 2.315 329 I HA 0.486 4.656 4.170 0.000 0.000 0.291 329 I C 0.957 177.106 176.117 0.054 0.000 1.006 329 I CA 0.297 61.738 61.300 0.234 0.000 1.265 329 I CB 0.717 38.840 38.000 0.205 0.000 1.387 329 I HN 0.949 nan 8.210 nan 0.000 0.475 330 G N 7.332 115.927 108.800 -0.341 0.000 2.302 330 G HA2 0.163 4.123 3.960 0.000 0.000 0.264 330 G HA3 0.163 4.123 3.960 0.000 0.000 0.264 330 G C -1.142 173.081 174.900 -1.127 0.000 1.335 330 G CA -0.873 43.255 45.100 -1.621 0.000 0.982 330 G HN 0.776 nan 8.290 nan 0.000 0.473 331 R N -0.558 119.120 120.500 -1.369 0.000 2.739 331 R HA 0.620 4.960 4.340 0.000 0.000 0.271 331 R C -0.912 174.895 176.300 -0.823 0.000 1.010 331 R CA -1.047 54.609 56.100 -0.740 0.000 0.897 331 R CB 1.045 31.194 30.300 -0.251 0.000 1.236 331 R HN 0.444 nan 8.270 nan 0.000 0.466 332 N N 1.227 119.771 118.700 -0.261 0.000 2.492 332 N HA -0.072 4.668 4.740 0.000 0.000 0.260 332 N C 0.482 175.935 175.510 -0.095 0.000 1.215 332 N CA 0.235 53.243 53.050 -0.070 0.000 0.923 332 N CB 1.392 39.939 38.487 0.100 0.000 1.092 332 N HN 0.728 nan 8.380 nan 0.000 0.448 333 E N 2.322 122.486 120.200 -0.060 0.000 2.077 333 E HA -0.094 4.256 4.350 0.000 0.000 0.193 333 E C -0.197 176.391 176.600 -0.019 0.000 0.989 333 E CA 1.576 57.953 56.400 -0.039 0.000 0.800 333 E CB 0.330 30.020 29.700 -0.017 0.000 0.746 333 E HN 0.446 nan 8.360 nan 0.000 0.452 334 R N -0.970 119.536 120.500 0.011 0.000 2.513 334 R HA 0.246 4.586 4.340 0.000 0.000 0.301 334 R C 0.453 176.804 176.300 0.085 0.000 0.968 334 R CA 0.442 56.567 56.100 0.042 0.000 0.872 334 R CB 1.598 31.923 30.300 0.043 0.000 1.177 334 R HN 0.114 nan 8.270 nan 0.000 0.444 335 T N -1.456 113.176 114.554 0.130 0.000 3.081 335 T HA 0.044 4.394 4.350 0.000 0.000 0.255 335 T C 0.254 175.095 174.700 0.235 0.000 1.113 335 T CA 0.137 62.335 62.100 0.162 0.000 1.082 335 T CB 0.326 69.288 68.868 0.156 0.000 0.939 335 T HN 0.470 nan 8.240 nan 0.000 0.506 336 W N 1.844 123.178 121.300 0.058 0.000 2.475 336 W HA 0.689 5.349 4.660 0.000 0.000 0.320 336 W C -1.994 174.481 176.519 -0.073 0.000 1.022 336 W CA -2.870 54.459 57.345 -0.027 0.000 1.240 336 W CB 0.640 30.066 29.460 -0.056 0.000 1.328 336 W HN 0.067 nan 8.180 nan 0.000 0.439 337 I N 7.756 128.498 120.570 0.287 0.000 2.498 337 I HA 0.212 4.382 4.170 0.000 0.000 0.290 337 I C 0.453 176.502 176.117 -0.113 0.000 1.032 337 I CA -0.609 60.721 61.300 0.050 0.000 1.073 337 I CB 1.750 39.734 38.000 -0.025 0.000 1.251 337 I HN 0.447 nan 8.210 nan 0.000 0.426 338 N N 3.764 122.234 118.700 -0.383 0.000 1.194 338 N HA -0.311 4.429 4.740 0.000 0.000 0.131 338 N C 0.460 175.347 175.510 -1.037 0.000 0.688 338 N CA 2.106 54.463 53.050 -1.154 0.000 0.927 338 N CB -0.798 36.813 38.487 -1.460 0.000 1.224 338 N HN 0.913 nan 8.380 nan 0.000 0.529 339 N N 0.679 118.682 118.700 -1.162 0.000 2.320 339 N HA 0.226 4.966 4.740 0.000 0.000 0.237 339 N C -0.600 174.807 175.510 -0.172 0.000 1.129 339 N CA -0.219 52.441 53.050 -0.650 0.000 0.854 339 N CB -0.383 37.710 38.487 -0.658 0.000 1.083 339 N HN 0.561 nan 8.380 nan 0.000 0.504 340 C N 0.657 119.828 119.300 -0.215 0.000 2.396 340 C HA 0.718 5.178 4.460 0.000 0.000 0.321 340 C C -0.886 173.902 174.990 -0.337 0.000 1.233 340 C CA -0.390 58.512 59.018 -0.193 0.000 1.440 340 C CB 0.388 28.042 27.740 -0.143 0.000 2.110 340 C HN 0.174 nan 8.230 nan 0.000 0.473 341 V N 5.846 125.499 119.914 -0.435 0.000 2.487 341 V HA 0.734 4.855 4.120 0.000 0.000 0.298 341 V C 0.569 176.543 176.094 -0.199 0.000 1.028 341 V CA -0.324 61.701 62.300 -0.459 0.000 0.860 341 V CB 1.412 32.719 31.823 -0.859 0.000 0.991 341 V HN 1.139 nan 8.190 nan 0.000 0.427 342 A N 4.605 127.381 122.820 -0.073 0.000 2.331 342 A HA 0.808 5.128 4.320 0.000 0.000 0.283 342 A C -0.546 177.033 177.584 -0.008 0.000 1.142 342 A CA -0.375 51.646 52.037 -0.026 0.000 0.812 342 A CB 0.955 19.970 19.000 0.024 0.000 1.074 342 A HN 0.747 nan 8.150 nan 0.000 0.497 343 V N 2.306 122.204 119.914 -0.027 0.000 2.577 343 V HA 0.742 4.862 4.120 0.000 0.000 0.303 343 V C 0.764 176.847 176.094 -0.017 0.000 1.042 343 V CA 0.663 62.949 62.300 -0.023 0.000 0.872 343 V CB 0.808 32.595 31.823 -0.059 0.000 0.998 343 V HN 2.174 nan 8.190 nan 0.000 0.423 344 G N 3.596 112.409 108.800 0.020 0.000 2.484 344 G HA2 -0.150 3.810 3.960 0.000 0.000 0.225 344 G HA3 -0.150 3.810 3.960 0.000 0.000 0.225 344 G C 0.162 175.118 174.900 0.094 0.000 1.250 344 G CA 0.005 45.132 45.100 0.046 0.000 0.926 344 G HN 0.667 nan 8.290 nan 0.000 0.581 345 L N 2.093 123.321 121.223 0.009 0.000 2.187 345 L HA 0.005 4.345 4.340 0.000 0.000 0.213 345 L C 3.309 180.221 176.870 0.071 0.000 1.100 345 L CA 3.024 57.851 54.840 -0.022 0.000 0.765 345 L CB -0.814 40.902 42.059 -0.573 0.000 0.904 345 L HN 0.977 nan 8.230 nan 0.000 0.437 346 S N -1.230 114.480 115.700 0.016 0.000 2.399 346 S HA -0.148 4.323 4.470 0.000 0.000 0.231 346 S C 2.053 176.735 174.600 0.136 0.000 1.022 346 S CA 0.880 59.112 58.200 0.053 0.000 0.983 346 S CB -0.490 62.712 63.200 0.004 0.000 0.803 346 S HN 0.356 nan 8.310 nan 0.000 0.480 347 A N 1.607 124.511 122.820 0.140 0.000 1.887 347 A HA 0.755 5.075 4.320 0.000 0.000 0.212 347 A C 1.062 178.769 177.584 0.204 0.000 1.198 347 A CA 0.808 52.930 52.037 0.141 0.000 0.628 347 A CB -0.382 18.663 19.000 0.076 0.000 0.847 347 A HN 1.325 nan 8.150 nan 0.000 0.449 348 A N -2.388 120.590 122.820 0.263 0.000 2.583 348 A HA 0.583 4.903 4.320 0.000 0.000 0.292 348 A C -1.642 176.262 177.584 0.533 0.000 1.045 348 A CA -0.275 51.942 52.037 0.299 0.000 0.672 348 A CB 0.407 19.434 19.000 0.046 0.000 1.283 348 A HN 1.149 nan 8.150 nan 0.000 0.419 349 F N 0.674 120.840 119.950 0.360 0.000 2.635 349 F HA 0.594 5.121 4.527 0.000 0.000 0.314 349 F C -0.940 175.096 175.800 0.394 0.000 1.119 349 F CA -0.281 57.981 58.000 0.438 0.000 1.000 349 F CB 1.924 41.234 39.000 0.516 0.000 1.278 349 F HN 1.127 nan 8.300 nan 0.000 0.446 350 V N 2.022 121.779 119.914 -0.261 0.000 3.001 350 V HA 0.612 4.732 4.120 0.000 0.000 0.314 350 V C -0.494 175.230 176.094 -0.616 0.000 1.099 350 V CA -0.976 61.229 62.300 -0.159 0.000 0.989 350 V CB 1.644 33.587 31.823 0.200 0.000 1.040 350 V HN 0.902 nan 8.190 nan 0.000 0.434 351 E N 3.222 123.358 120.200 -0.105 0.000 2.467 351 E HA 0.086 4.436 4.350 0.000 0.000 0.264 351 E C -2.027 174.664 176.600 0.151 0.000 1.020 351 E CA -0.960 55.524 56.400 0.140 0.000 0.945 351 E CB 0.270 30.258 29.700 0.479 0.000 0.942 351 E HN 0.638 nan 8.360 nan 0.000 0.449 352 P HA 0.004 nan 4.420 nan 0.000 0.254 352 P C 0.578 178.112 177.300 0.390 0.000 1.631 352 P CA -0.132 63.120 63.100 0.253 0.000 0.861 352 P CB -0.030 31.769 31.700 0.165 0.000 1.663 353 L N 0.270 121.637 121.223 0.240 0.000 2.275 353 L HA -0.003 4.337 4.340 0.000 0.000 0.215 353 L C 1.268 178.048 176.870 -0.151 0.000 1.119 353 L CA 1.948 56.611 54.840 -0.295 0.000 0.790 353 L CB -0.478 41.277 42.059 -0.507 0.000 0.919 353 L HN -0.079 nan 8.230 nan 0.000 0.443 354 E N -0.858 119.353 120.200 0.019 0.000 2.887 354 E HA 0.230 4.581 4.350 0.000 0.000 0.206 354 E C 0.036 176.878 176.600 0.403 0.000 0.983 354 E CA 0.242 56.771 56.400 0.215 0.000 1.141 354 E CB 0.332 30.148 29.700 0.194 0.000 1.061 354 E HN 0.259 nan 8.360 nan 0.000 0.468 355 S N 0.313 116.167 115.700 0.257 0.000 3.706 355 S HA -0.166 4.304 4.470 0.000 0.000 0.363 355 S C 1.161 175.870 174.600 0.181 0.000 0.999 355 S CA 1.170 59.512 58.200 0.236 0.000 1.143 355 S CB -1.900 61.494 63.200 0.322 0.000 0.902 355 S HN 0.528 nan 8.310 nan 0.000 0.476 356 T N -2.860 111.685 114.554 -0.016 0.000 3.060 356 T HA 0.320 4.670 4.350 0.000 0.000 0.249 356 T C 1.912 176.233 174.700 -0.631 0.000 1.079 356 T CA 0.707 62.586 62.100 -0.369 0.000 1.013 356 T CB 0.177 68.774 68.868 -0.452 0.000 0.975 356 T HN 0.567 nan 8.240 nan 0.000 0.518 357 G N 2.446 111.047 108.800 -0.332 0.000 2.421 357 G HA2 -0.062 3.898 3.960 0.000 0.000 0.216 357 G HA3 -0.062 3.898 3.960 0.000 0.000 0.216 357 G C 1.419 176.246 174.900 -0.122 0.000 1.171 357 G CA 0.670 45.668 45.100 -0.172 0.000 0.775 357 G HN 0.453 nan 8.290 nan 0.000 0.543 358 I N 0.370 120.868 120.570 -0.120 0.000 2.252 358 I HA -0.061 4.109 4.170 0.000 0.000 0.245 358 I C 2.477 178.488 176.117 -0.175 0.000 1.102 358 I CA 0.798 62.034 61.300 -0.107 0.000 1.385 358 I CB -1.055 36.935 38.000 -0.016 0.000 1.064 358 I HN 0.217 nan 8.210 nan 0.000 0.414 359 F N 2.093 121.771 119.950 -0.454 0.000 2.126 359 F HA -0.272 4.255 4.527 -0.000 0.000 0.299 359 F C 2.253 178.012 175.800 -0.068 0.000 1.096 359 F CA 1.613 59.325 58.000 -0.480 0.000 1.255 359 F CB -0.554 37.683 39.000 -1.271 0.000 0.997 359 F HN -0.105 nan 8.300 nan 0.000 0.479 360 F N 0.675 120.362 119.950 -0.438 0.000 2.186 360 F HA -0.114 4.413 4.527 0.000 0.000 0.299 360 F C 2.403 178.032 175.800 -0.286 0.000 1.090 360 F CA 0.852 58.609 58.000 -0.405 0.000 1.307 360 F CB -1.365 37.563 39.000 -0.120 0.000 1.019 360 F HN 0.042 nan 8.300 nan 0.000 0.489 361 I N -0.324 120.226 120.570 -0.033 0.000 2.142 361 I HA -0.332 3.838 4.170 0.000 0.000 0.240 361 I C 2.628 178.618 176.117 -0.211 0.000 1.078 361 I CA 1.488 62.719 61.300 -0.114 0.000 1.343 361 I CB -0.579 37.335 38.000 -0.143 0.000 1.046 361 I HN 0.158 nan 8.210 nan 0.000 0.405 362 Q N 0.321 119.956 119.800 -0.275 0.000 2.030 362 Q HA -0.324 4.016 4.340 0.000 0.000 0.204 362 Q C 2.346 178.240 176.000 -0.175 0.000 0.986 362 Q CA 2.107 57.729 55.803 -0.301 0.000 0.843 362 Q CB -0.180 28.415 28.738 -0.238 0.000 0.904 362 Q HN 0.496 nan 8.270 nan 0.000 0.420 363 H N -0.167 118.730 119.070 -0.288 0.000 2.353 363 H HA -0.046 4.511 4.556 0.000 0.000 0.300 363 H C 1.738 176.975 175.328 -0.150 0.000 1.090 363 H CA 1.934 57.851 56.048 -0.217 0.000 1.327 363 H CB -0.336 29.220 29.762 -0.344 0.000 1.383 363 H HN 0.411 nan 8.280 nan 0.000 0.508 364 A N 0.185 122.904 122.820 -0.169 0.000 1.933 364 A HA -0.096 4.224 4.320 0.000 0.000 0.218 364 A C 2.601 180.179 177.584 -0.010 0.000 1.175 364 A CA 1.606 53.584 52.037 -0.098 0.000 0.628 364 A CB -0.676 18.302 19.000 -0.036 0.000 0.814 364 A HN 0.484 nan 8.150 nan 0.000 0.444 365 I N -0.897 119.593 120.570 -0.133 0.000 2.277 365 I HA -0.180 3.991 4.170 0.000 0.000 0.243 365 I C 2.474 178.436 176.117 -0.259 0.000 1.094 365 I CA 1.218 62.401 61.300 -0.195 0.000 1.393 365 I CB -0.368 37.445 38.000 -0.312 0.000 1.078 365 I HN 0.385 nan 8.210 nan 0.000 0.417 366 E N 0.394 120.391 120.200 -0.339 0.000 2.110 366 E HA -0.228 4.122 4.350 0.000 0.000 0.193 366 E C 2.142 178.740 176.600 -0.003 0.000 0.988 366 E CA 0.903 57.151 56.400 -0.255 0.000 0.804 366 E CB 0.017 29.626 29.700 -0.153 0.000 0.745 366 E HN 0.421 nan 8.360 nan 0.000 0.458 367 Q N 0.228 120.035 119.800 0.012 0.000 2.311 367 Q HA -0.080 4.260 4.340 0.000 0.000 0.203 367 Q C 2.225 178.544 176.000 0.533 0.000 0.954 367 Q CA 0.475 56.421 55.803 0.240 0.000 0.885 367 Q CB -0.140 28.573 28.738 -0.041 0.000 0.963 367 Q HN 0.234 nan 8.270 nan 0.000 0.471 368 L N 0.024 121.472 121.223 0.375 0.000 2.056 368 L HA -0.103 4.237 4.340 0.000 0.000 0.207 368 L C 2.051 179.150 176.870 0.382 0.000 1.078 368 L CA 1.311 56.296 54.840 0.242 0.000 0.749 368 L CB -0.611 41.471 42.059 0.038 0.000 0.901 368 L HN -0.083 nan 8.230 nan 0.000 0.433 369 V N -0.078 120.005 119.914 0.281 0.000 2.295 369 V HA -0.300 3.820 4.120 0.000 0.000 0.246 369 V C 2.596 178.886 176.094 0.326 0.000 1.049 369 V CA 2.140 64.601 62.300 0.269 0.000 1.024 369 V CB -0.675 31.198 31.823 0.084 0.000 0.648 369 V HN 0.463 nan 8.190 nan 0.000 0.447 370 K N -0.686 119.870 120.400 0.260 0.000 2.147 370 K HA -0.145 4.175 4.320 0.000 0.000 0.205 370 K C 1.452 178.079 176.600 0.045 0.000 1.049 370 K CA 1.486 57.857 56.287 0.140 0.000 0.936 370 K CB -0.168 32.380 32.500 0.080 0.000 0.722 370 K HN 0.597 nan 8.250 nan 0.000 0.446 371 H N -1.274 117.971 119.070 0.291 0.000 2.487 371 H HA 0.137 4.693 4.556 0.000 0.000 0.290 371 H C -0.694 174.820 175.328 0.310 0.000 1.081 371 H CA -0.613 55.595 56.048 0.267 0.000 1.116 371 H CB -0.246 29.707 29.762 0.318 0.000 1.560 371 H HN -0.027 nan 8.280 nan 0.000 0.548 372 F N 4.057 124.153 119.950 0.244 0.000 2.572 372 F HA 0.130 4.657 4.527 0.000 0.000 0.370 372 F C -1.796 174.045 175.800 0.069 0.000 1.103 372 F CA -2.366 55.750 58.000 0.194 0.000 1.286 372 F CB 0.636 39.762 39.000 0.210 0.000 1.105 372 F HN 0.111 nan 8.300 nan 0.000 0.583 373 P HA 0.320 nan 4.420 nan 0.000 0.279 373 P C -0.431 176.558 177.300 -0.518 0.000 1.252 373 P CA -0.409 62.382 63.100 -0.514 0.000 0.811 373 P CB 1.262 32.368 31.700 -0.990 0.000 1.035 374 G N 0.540 109.095 108.800 -0.408 0.000 2.557 374 G HA2 0.211 4.171 3.960 0.000 0.000 0.302 374 G HA3 0.211 4.171 3.960 0.000 0.000 0.302 374 G C 0.785 175.410 174.900 -0.458 0.000 1.311 374 G CA -0.504 44.405 45.100 -0.318 0.000 1.030 374 G HN 0.591 nan 8.290 nan 0.000 0.509 375 E N -0.631 119.442 120.200 -0.210 0.000 2.265 375 E HA -0.121 4.229 4.350 0.000 0.000 0.196 375 E C 1.705 178.362 176.600 0.095 0.000 0.996 375 E CA 0.558 56.927 56.400 -0.052 0.000 0.832 375 E CB 0.006 29.723 29.700 0.029 0.000 0.756 375 E HN 0.232 nan 8.360 nan 0.000 0.491 376 R N -0.055 120.461 120.500 0.028 0.000 2.275 376 R HA -0.049 4.291 4.340 0.000 0.000 0.199 376 R C -0.165 176.294 176.300 0.266 0.000 0.989 376 R CA 0.398 56.573 56.100 0.125 0.000 1.016 376 R CB -0.916 29.417 30.300 0.055 0.000 0.918 376 R HN 0.316 nan 8.270 nan 0.000 0.473 377 W N 2.480 123.829 121.300 0.082 0.000 6.562 377 W HA -0.209 4.451 4.660 -0.000 0.000 0.418 377 W C -0.202 176.342 176.519 0.042 0.000 1.645 377 W CA 0.160 57.576 57.345 0.118 0.000 1.086 377 W CB -1.944 27.720 29.460 0.340 0.000 2.865 377 W HN 0.076 nan 8.180 nan 0.000 1.517 378 D N 1.648 122.109 120.400 0.103 0.000 2.570 378 D HA -0.063 4.577 4.640 0.000 0.000 0.243 378 D C -0.231 176.071 176.300 0.004 0.000 1.171 378 D CA -0.596 53.431 54.000 0.044 0.000 0.879 378 D CB 0.962 41.760 40.800 -0.003 0.000 1.143 378 D HN 0.079 nan 8.370 nan 0.000 0.511 379 P HA -0.100 nan 4.420 nan 0.000 0.223 379 P C 1.509 178.770 177.300 -0.065 0.000 1.151 379 P CA 0.239 63.318 63.100 -0.035 0.000 0.787 379 P CB 0.384 32.089 31.700 0.008 0.000 0.788 380 V N 0.003 119.898 119.914 -0.032 0.000 2.453 380 V HA -0.179 3.941 4.120 0.000 0.000 0.247 380 V C 2.563 178.646 176.094 -0.019 0.000 1.048 380 V CA 1.207 63.495 62.300 -0.020 0.000 1.049 380 V CB -1.181 30.643 31.823 0.002 0.000 0.672 380 V HN 0.030 nan 8.190 nan 0.000 0.457 381 L N -0.119 121.088 121.223 -0.028 0.000 2.056 381 L HA -0.085 4.255 4.340 0.000 0.000 0.207 381 L C 2.160 178.982 176.870 -0.080 0.000 1.078 381 L CA 1.838 56.690 54.840 0.019 0.000 0.749 381 L CB -0.426 41.630 42.059 -0.004 0.000 0.901 381 L HN 0.199 nan 8.230 nan 0.000 0.433 382 I N -1.572 118.799 120.570 -0.332 0.000 2.179 382 I HA -0.320 3.850 4.170 0.000 0.000 0.242 382 I C 2.671 178.617 176.117 -0.286 0.000 1.088 382 I CA 1.490 62.406 61.300 -0.641 0.000 1.357 382 I CB -0.532 36.957 38.000 -0.852 0.000 1.051 382 I HN 0.326 nan 8.210 nan 0.000 0.409 383 S N 0.716 116.315 115.700 -0.169 0.000 2.365 383 S HA -0.252 4.218 4.470 0.000 0.000 0.225 383 S C 2.228 176.788 174.600 -0.065 0.000 1.039 383 S CA 1.646 59.792 58.200 -0.091 0.000 1.033 383 S CB -0.269 62.895 63.200 -0.061 0.000 0.887 383 S HN 0.481 nan 8.310 nan 0.000 0.447 384 A N -0.054 122.748 122.820 -0.030 0.000 1.902 384 A HA -0.082 4.238 4.320 0.000 0.000 0.217 384 A C 2.038 179.547 177.584 -0.124 0.000 1.181 384 A CA 1.766 53.803 52.037 -0.001 0.000 0.623 384 A CB -1.230 17.860 19.000 0.150 0.000 0.818 384 A HN 0.791 nan 8.150 nan 0.000 0.443 385 Y N 1.241 121.308 120.300 -0.388 0.000 2.145 385 Y HA -0.234 4.316 4.550 0.000 0.000 0.286 385 Y C 2.315 178.089 175.900 -0.210 0.000 1.145 385 Y CA 2.136 59.938 58.100 -0.498 0.000 1.148 385 Y CB -0.227 38.041 38.460 -0.320 0.000 0.981 385 Y HN 0.317 nan 8.280 nan 0.000 0.507 386 N N 0.609 119.313 118.700 0.007 0.000 2.104 386 N HA -0.227 4.513 4.740 0.000 0.000 0.190 386 N C 1.869 177.270 175.510 -0.181 0.000 1.024 386 N CA 1.737 54.761 53.050 -0.042 0.000 0.853 386 N CB -0.448 38.047 38.487 0.013 0.000 1.008 386 N HN 0.607 nan 8.380 nan 0.000 0.424 387 E N 0.908 120.989 120.200 -0.199 0.000 2.077 387 E HA -0.089 4.261 4.350 0.000 0.000 0.193 387 E C 2.013 178.403 176.600 -0.349 0.000 0.989 387 E CA 0.871 57.087 56.400 -0.306 0.000 0.800 387 E CB 0.124 29.679 29.700 -0.242 0.000 0.746 387 E HN 0.227 nan 8.360 nan 0.000 0.452 388 R N -0.508 119.866 120.500 -0.210 0.000 2.091 388 R HA -0.125 4.215 4.340 0.000 0.000 0.238 388 R C 2.387 178.630 176.300 -0.095 0.000 1.136 388 R CA 1.789 57.846 56.100 -0.072 0.000 0.959 388 R CB -0.149 30.079 30.300 -0.121 0.000 0.856 388 R HN 0.297 nan 8.270 nan 0.000 0.437 389 M N -0.306 119.115 119.600 -0.298 0.000 2.175 389 M HA -0.035 4.445 4.480 0.000 0.000 0.264 389 M C 2.370 178.575 176.300 -0.159 0.000 1.063 389 M CA 1.379 56.514 55.300 -0.275 0.000 1.119 389 M CB -0.905 31.460 32.600 -0.391 0.000 1.377 389 M HN 0.194 nan 8.290 nan 0.000 0.415 390 A N -0.687 122.034 122.820 -0.165 0.000 1.873 390 A HA -0.180 4.140 4.320 0.000 0.000 0.215 390 A C 1.933 179.515 177.584 -0.003 0.000 1.186 390 A CA 1.636 53.602 52.037 -0.118 0.000 0.616 390 A CB -1.188 17.702 19.000 -0.183 0.000 0.823 390 A HN 0.580 nan 8.150 nan 0.000 0.442 391 H N -1.464 117.644 119.070 0.064 0.000 2.387 391 H HA -0.099 4.457 4.556 0.000 0.000 0.299 391 H C 2.156 177.626 175.328 0.237 0.000 1.090 391 H CA 1.389 57.571 56.048 0.223 0.000 1.332 391 H CB -0.147 29.763 29.762 0.247 0.000 1.386 391 H HN 0.553 nan 8.280 nan 0.000 0.516 392 M N 0.629 120.416 119.600 0.313 0.000 2.082 392 M HA -0.210 4.270 4.480 0.000 0.000 0.258 392 M C 1.869 178.256 176.300 0.146 0.000 1.071 392 M CA 1.833 57.292 55.300 0.264 0.000 1.103 392 M CB -0.074 32.622 32.600 0.161 0.000 1.307 392 M HN 0.143 nan 8.290 nan 0.000 0.409 393 V N 0.525 120.408 119.914 -0.052 0.000 2.488 393 V HA -0.217 3.903 4.120 0.000 0.000 0.246 393 V C 1.855 177.995 176.094 0.076 0.000 1.046 393 V CA 1.879 64.147 62.300 -0.053 0.000 1.053 393 V CB -1.010 30.740 31.823 -0.122 0.000 0.679 393 V HN 0.457 nan 8.190 nan 0.000 0.458 394 D N 1.069 121.473 120.400 0.008 0.000 2.117 394 D HA -0.117 4.523 4.640 0.000 0.000 0.197 394 D C 2.234 178.285 176.300 -0.415 0.000 0.987 394 D CA 1.674 55.595 54.000 -0.131 0.000 0.829 394 D CB -0.589 40.223 40.800 0.020 0.000 0.961 394 D HN 0.451 nan 8.370 nan 0.000 0.460 395 G N 0.603 108.958 108.800 -0.741 0.000 2.418 395 G HA2 -0.214 3.746 3.960 0.000 0.000 0.217 395 G HA3 -0.214 3.746 3.960 0.000 0.000 0.217 395 G C 1.860 176.635 174.900 -0.209 0.000 1.158 395 G CA 0.755 45.147 45.100 -1.181 0.000 0.771 395 G HN 0.247 nan 8.290 nan 0.000 0.545 396 V N 0.782 120.801 119.914 0.175 0.000 2.407 396 V HA -0.150 3.970 4.120 0.000 0.000 0.248 396 V C 2.668 178.871 176.094 0.181 0.000 1.055 396 V CA 2.198 64.736 62.300 0.397 0.000 1.049 396 V CB -0.374 31.857 31.823 0.679 0.000 0.662 396 V HN 0.443 nan 8.190 nan 0.000 0.455 397 K N 0.157 120.591 120.400 0.056 0.000 2.020 397 K HA -0.256 4.064 4.320 0.000 0.000 0.212 397 K C 2.157 178.704 176.600 -0.088 0.000 1.050 397 K CA 2.125 58.354 56.287 -0.097 0.000 0.929 397 K CB -0.175 32.063 32.500 -0.437 0.000 0.714 397 K HN 0.564 nan 8.250 nan 0.000 0.443 398 E N -0.285 119.871 120.200 -0.073 0.000 2.058 398 E HA -0.212 4.138 4.350 0.000 0.000 0.194 398 E C 1.971 178.578 176.600 0.012 0.000 0.997 398 E CA 1.252 57.674 56.400 0.036 0.000 0.801 398 E CB -0.280 29.536 29.700 0.192 0.000 0.746 398 E HN 0.306 nan 8.360 nan 0.000 0.450 399 F N 1.811 121.563 119.950 -0.331 0.000 2.126 399 F HA -0.180 4.347 4.527 0.000 0.000 0.299 399 F C 1.979 177.548 175.800 -0.386 0.000 1.096 399 F CA 1.263 58.810 58.000 -0.756 0.000 1.255 399 F CB -0.328 38.153 39.000 -0.865 0.000 0.997 399 F HN -0.082 nan 8.300 nan 0.000 0.479 400 L N -1.030 119.983 121.223 -0.349 0.000 2.056 400 L HA -0.193 4.147 4.340 0.000 0.000 0.207 400 L C 2.399 179.174 176.870 -0.158 0.000 1.078 400 L CA 0.946 55.492 54.840 -0.489 0.000 0.749 400 L CB -0.934 40.969 42.059 -0.261 0.000 0.901 400 L HN -0.046 nan 8.230 nan 0.000 0.433 401 V N 0.109 120.012 119.914 -0.017 0.000 2.407 401 V HA -0.288 3.832 4.120 0.000 0.000 0.248 401 V C 2.436 178.574 176.094 0.074 0.000 1.055 401 V CA 1.476 63.834 62.300 0.097 0.000 1.049 401 V CB -0.425 31.430 31.823 0.053 0.000 0.662 401 V HN 0.325 nan 8.190 nan 0.000 0.455 402 L N -0.158 121.049 121.223 -0.028 0.000 2.127 402 L HA -0.200 4.140 4.340 0.000 0.000 0.211 402 L C 2.300 179.068 176.870 -0.171 0.000 1.089 402 L CA 2.044 56.835 54.840 -0.081 0.000 0.757 402 L CB -0.846 41.129 42.059 -0.139 0.000 0.899 402 L HN 0.407 nan 8.230 nan 0.000 0.434 403 H N -2.036 116.746 119.070 -0.479 0.000 2.321 403 H HA -0.156 4.400 4.556 0.000 0.000 0.300 403 H C 1.895 177.035 175.328 -0.315 0.000 1.087 403 H CA 2.420 58.086 56.048 -0.635 0.000 1.319 403 H CB -0.627 28.550 29.762 -0.974 0.000 1.379 403 H HN 0.379 nan 8.280 nan 0.000 0.501 404 Y N 0.749 121.150 120.300 0.168 0.000 2.314 404 Y HA -0.101 4.449 4.550 0.000 0.000 0.293 404 Y C 2.175 178.195 175.900 0.200 0.000 1.129 404 Y CA 0.788 59.063 58.100 0.293 0.000 1.201 404 Y CB 0.101 38.683 38.460 0.205 0.000 0.999 404 Y HN 0.020 nan 8.280 nan 0.000 0.541 405 K N -0.520 120.005 120.400 0.208 0.000 2.155 405 K HA 0.015 4.335 4.320 0.000 0.000 0.203 405 K C 2.299 178.941 176.600 0.069 0.000 1.052 405 K CA 1.055 57.417 56.287 0.125 0.000 0.948 405 K CB -0.890 31.655 32.500 0.075 0.000 0.728 405 K HN 0.402 nan 8.250 nan 0.000 0.448 406 G N 1.301 110.100 108.800 -0.002 0.000 2.421 406 G HA2 -0.045 3.915 3.960 0.000 0.000 0.217 406 G HA3 -0.045 3.915 3.960 0.000 0.000 0.217 406 G C 0.548 175.446 174.900 -0.003 0.000 1.143 406 G CA 0.476 45.539 45.100 -0.061 0.000 0.784 406 G HN 0.348 nan 8.290 nan 0.000 0.541 407 A N 0.475 123.352 122.820 0.094 0.000 2.548 407 A HA 0.326 4.646 4.320 0.000 0.000 0.247 407 A C 1.352 178.993 177.584 0.094 0.000 1.067 407 A CA 0.103 52.239 52.037 0.164 0.000 0.757 407 A CB 0.362 19.590 19.000 0.381 0.000 0.996 407 A HN 0.289 nan 8.150 nan 0.000 0.504 408 Q N 1.273 121.090 119.800 0.028 0.000 2.402 408 Q HA -0.026 4.314 4.340 0.000 0.000 0.206 408 Q C 0.785 176.776 176.000 -0.015 0.000 0.919 408 Q CA 0.492 56.303 55.803 0.013 0.000 0.923 408 Q CB -0.071 28.669 28.738 0.002 0.000 1.048 408 Q HN 0.922 nan 8.270 nan 0.000 0.515 409 R N 0.894 121.325 120.500 -0.114 0.000 2.643 409 R HA 0.150 4.490 4.340 0.000 0.000 0.270 409 R C -0.076 176.208 176.300 -0.028 0.000 1.061 409 R CA 0.390 56.385 56.100 -0.175 0.000 1.107 409 R CB 0.423 30.450 30.300 -0.455 0.000 0.999 409 R HN -0.087 nan 8.270 nan 0.000 0.460 410 E N 0.911 121.134 120.200 0.039 0.000 3.254 410 E HA -0.010 4.340 4.350 0.000 0.000 0.184 410 E C -0.604 176.084 176.600 0.147 0.000 0.967 410 E CA -0.081 56.405 56.400 0.143 0.000 1.311 410 E CB 0.642 30.401 29.700 0.099 0.000 1.071 410 E HN 0.791 nan 8.360 nan 0.000 0.456 411 D N 0.088 120.574 120.400 0.145 0.000 2.366 411 D HA -0.052 4.588 4.640 0.000 0.000 0.205 411 D C 0.932 177.335 176.300 0.172 0.000 1.022 411 D CA 0.425 54.496 54.000 0.119 0.000 0.868 411 D CB 0.290 41.124 40.800 0.056 0.000 0.953 411 D HN 0.089 nan 8.370 nan 0.000 0.514 412 T N -3.773 110.947 114.554 0.277 0.000 2.916 412 T HA 0.440 4.790 4.350 0.000 0.000 0.292 412 T C -2.323 172.518 174.700 0.236 0.000 1.064 412 T CA -1.803 60.452 62.100 0.258 0.000 1.011 412 T CB 2.476 71.529 68.868 0.307 0.000 1.152 412 T HN -0.427 nan 8.240 nan 0.000 0.510 413 P HA -0.150 nan 4.420 nan 0.000 0.216 413 P C 1.037 178.399 177.300 0.103 0.000 1.154 413 P CA 1.149 64.394 63.100 0.240 0.000 0.865 413 P CB -0.179 31.734 31.700 0.355 0.000 0.789 414 Y N -1.610 118.520 120.300 -0.283 0.000 2.145 414 Y HA -0.198 4.352 4.550 0.000 0.000 0.286 414 Y C 2.029 177.515 175.900 -0.689 0.000 1.145 414 Y CA 1.576 59.063 58.100 -1.021 0.000 1.148 414 Y CB -0.835 37.031 38.460 -0.991 0.000 0.981 414 Y HN -0.074 nan 8.280 nan 0.000 0.507 415 W N 0.660 121.989 121.300 0.048 0.000 2.467 415 W HA -0.021 4.639 4.660 -0.000 0.000 0.275 415 W C 2.292 178.803 176.519 -0.014 0.000 1.239 415 W CA 0.918 58.294 57.345 0.051 0.000 1.266 415 W CB -0.050 29.488 29.460 0.130 0.000 1.112 415 W HN -0.108 nan 8.180 nan 0.000 0.576 416 K N 0.174 120.679 120.400 0.173 0.000 2.057 416 K HA -0.099 4.222 4.320 0.000 0.000 0.206 416 K C 2.273 178.897 176.600 0.041 0.000 1.050 416 K CA 1.397 57.753 56.287 0.116 0.000 0.935 416 K CB -0.503 32.068 32.500 0.119 0.000 0.715 416 K HN 0.090 nan 8.250 nan 0.000 0.439 417 A N 1.551 124.343 122.820 -0.046 0.000 1.933 417 A HA -0.101 4.219 4.320 0.000 0.000 0.218 417 A C 2.369 179.861 177.584 -0.153 0.000 1.175 417 A CA 1.722 53.713 52.037 -0.076 0.000 0.628 417 A CB -0.662 18.303 19.000 -0.059 0.000 0.814 417 A HN 0.323 nan 8.150 nan 0.000 0.444 418 A N -0.122 122.534 122.820 -0.273 0.000 1.940 418 A HA -0.194 4.126 4.320 0.000 0.000 0.219 418 A C 2.106 179.695 177.584 0.009 0.000 1.176 418 A CA 1.824 53.752 52.037 -0.181 0.000 0.631 418 A CB -0.383 18.554 19.000 -0.104 0.000 0.814 418 A HN 0.427 nan 8.150 nan 0.000 0.446 419 K N -0.697 119.739 120.400 0.059 0.000 2.097 419 K HA -0.103 4.217 4.320 0.000 0.000 0.206 419 K C 1.822 178.451 176.600 0.048 0.000 1.049 419 K CA 1.815 58.150 56.287 0.079 0.000 0.933 419 K CB -0.442 32.112 32.500 0.089 0.000 0.717 419 K HN 0.736 nan 8.250 nan 0.000 0.442 420 T N -2.062 112.509 114.554 0.029 0.000 3.054 420 T HA 0.125 4.475 4.350 0.000 0.000 0.255 420 T C 0.738 175.447 174.700 0.015 0.000 1.035 420 T CA -0.434 61.682 62.100 0.026 0.000 0.941 420 T CB 0.296 69.182 68.868 0.030 0.000 1.026 420 T HN 0.013 nan 8.240 nan 0.000 0.533 421 R N 1.493 121.992 120.500 -0.001 0.000 2.594 421 R HA 0.580 4.920 4.340 0.000 0.000 0.272 421 R C 0.421 176.724 176.300 0.004 0.000 1.074 421 R CA -0.164 55.931 56.100 -0.010 0.000 1.105 421 R CB 0.212 30.481 30.300 -0.052 0.000 1.008 421 R HN 0.344 nan 8.270 nan 0.000 0.472 422 A N 4.997 127.821 122.820 0.008 0.000 2.547 422 A HA 0.172 4.492 4.320 0.000 0.000 0.233 422 A C 0.297 177.888 177.584 0.012 0.000 1.067 422 A CA 0.397 52.442 52.037 0.013 0.000 0.763 422 A CB 0.081 19.090 19.000 0.016 0.000 1.007 422 A HN 0.830 nan 8.150 nan 0.000 0.506 423 M N 0.623 120.233 119.600 0.017 0.000 2.658 423 M HA 0.716 5.196 4.480 0.000 0.000 0.295 423 M C -2.936 173.371 176.300 0.012 0.000 1.248 423 M CA -2.186 53.124 55.300 0.017 0.000 0.843 423 M CB 1.385 34.004 32.600 0.031 0.000 1.749 423 M HN 0.251 nan 8.290 nan 0.000 0.464 424 P HA 0.171 nan 4.420 nan 0.000 0.268 424 P C -0.453 176.866 177.300 0.031 0.000 1.205 424 P CA -0.050 63.052 63.100 0.003 0.000 0.771 424 P CB 0.430 32.119 31.700 -0.019 0.000 0.858 425 D N 2.173 122.593 120.400 0.033 0.000 2.149 425 D HA -0.121 4.519 4.640 0.000 0.000 0.198 425 D C 2.100 178.428 176.300 0.046 0.000 0.990 425 D CA 1.793 55.815 54.000 0.037 0.000 0.839 425 D CB -0.705 40.116 40.800 0.034 0.000 0.948 425 D HN 0.583 nan 8.370 nan 0.000 0.460 426 G N 0.299 109.139 108.800 0.067 0.000 2.559 426 G HA2 -0.172 3.788 3.960 0.000 0.000 0.216 426 G HA3 -0.172 3.788 3.960 0.000 0.000 0.216 426 G C 1.507 176.454 174.900 0.079 0.000 1.126 426 G CA 0.081 45.226 45.100 0.074 0.000 0.778 426 G HN 0.201 nan 8.290 nan 0.000 0.543 427 L N 0.911 122.186 121.223 0.088 0.000 2.240 427 L HA 0.336 4.676 4.340 0.000 0.000 0.211 427 L C 2.977 179.886 176.870 0.064 0.000 1.106 427 L CA 1.421 56.322 54.840 0.102 0.000 0.793 427 L CB -0.541 41.580 42.059 0.103 0.000 0.927 427 L HN 0.202 nan 8.230 nan 0.000 0.446 428 A N -0.162 122.684 122.820 0.042 0.000 1.883 428 A HA -0.297 4.024 4.320 0.000 0.000 0.217 428 A C 2.438 180.030 177.584 0.014 0.000 1.186 428 A CA 1.981 54.033 52.037 0.026 0.000 0.624 428 A CB -0.600 18.413 19.000 0.020 0.000 0.822 428 A HN 0.436 nan 8.150 nan 0.000 0.444 429 R N 0.272 120.777 120.500 0.009 0.000 2.091 429 R HA -0.118 4.222 4.340 0.000 0.000 0.238 429 R C 1.993 178.279 176.300 -0.023 0.000 1.136 429 R CA 2.247 58.341 56.100 -0.010 0.000 0.959 429 R CB -0.431 29.860 30.300 -0.016 0.000 0.856 429 R HN 0.585 nan 8.270 nan 0.000 0.437 430 K N -0.036 120.361 120.400 -0.005 0.000 2.057 430 K HA -0.091 4.229 4.320 0.000 0.000 0.207 430 K C 2.112 178.707 176.600 -0.009 0.000 1.049 430 K CA 1.654 57.937 56.287 -0.008 0.000 0.931 430 K CB -0.233 32.303 32.500 0.059 0.000 0.714 430 K HN 0.195 nan 8.250 nan 0.000 0.440 431 L N 1.114 122.343 121.223 0.011 0.000 2.046 431 L HA -0.199 4.141 4.340 0.000 0.000 0.208 431 L C 2.214 179.063 176.870 -0.035 0.000 1.077 431 L CA 1.392 56.228 54.840 -0.006 0.000 0.747 431 L CB -0.387 41.678 42.059 0.010 0.000 0.896 431 L HN 0.218 nan 8.230 nan 0.000 0.432 432 E N 0.190 120.370 120.200 -0.034 0.000 2.077 432 E HA -0.212 4.138 4.350 0.000 0.000 0.193 432 E C 2.332 178.881 176.600 -0.084 0.000 0.989 432 E CA 1.057 57.432 56.400 -0.041 0.000 0.800 432 E CB -0.170 29.516 29.700 -0.024 0.000 0.746 432 E HN 0.418 nan 8.360 nan 0.000 0.452 433 L N 0.660 121.810 121.223 -0.123 0.000 2.083 433 L HA -0.181 4.159 4.340 0.000 0.000 0.209 433 L C 2.397 179.041 176.870 -0.376 0.000 1.083 433 L CA 0.904 55.578 54.840 -0.276 0.000 0.752 433 L CB -0.241 41.655 42.059 -0.272 0.000 0.899 433 L HN 0.056 nan 8.230 nan 0.000 0.433 434 S N -0.411 115.161 115.700 -0.214 0.000 2.453 434 S HA -0.012 4.458 4.470 0.000 0.000 0.231 434 S C 2.056 176.577 174.600 -0.132 0.000 1.005 434 S CA 0.823 58.919 58.200 -0.173 0.000 0.949 434 S CB -0.049 63.096 63.200 -0.093 0.000 0.774 434 S HN 0.468 nan 8.310 nan 0.000 0.510 435 A N 0.645 123.401 122.820 -0.107 0.000 2.066 435 A HA 0.036 4.356 4.320 0.000 0.000 0.218 435 A C 2.150 179.702 177.584 -0.053 0.000 1.157 435 A CA 1.557 53.555 52.037 -0.065 0.000 0.670 435 A CB -0.373 18.601 19.000 -0.044 0.000 0.804 435 A HN 0.472 nan 8.150 nan 0.000 0.453 436 S N -1.251 114.401 115.700 -0.079 0.000 2.591 436 S HA 0.157 4.627 4.470 0.000 0.000 0.235 436 S C 0.646 175.291 174.600 0.076 0.000 1.074 436 S CA 0.586 58.792 58.200 0.010 0.000 0.925 436 S CB -0.050 63.201 63.200 0.086 0.000 0.818 436 S HN 0.813 nan 8.310 nan 0.000 0.535 437 H N -0.991 118.066 119.070 -0.022 0.000 2.948 437 H HA 0.418 4.974 4.556 0.000 0.000 0.315 437 H C -1.192 174.123 175.328 -0.021 0.000 1.360 437 H CA -0.997 55.038 56.048 -0.021 0.000 1.125 437 H CB 0.069 29.822 29.762 -0.015 0.000 1.844 437 H HN 0.195 nan 8.280 nan 0.000 0.529 438 L N 1.738 123.018 121.223 0.096 0.000 2.426 438 L HA 0.140 4.480 4.340 0.000 0.000 0.271 438 L C 0.742 177.638 176.870 0.043 0.000 1.169 438 L CA -0.483 54.373 54.840 0.026 0.000 0.836 438 L CB 0.326 42.411 42.059 0.044 0.000 1.112 438 L HN 0.312 nan 8.230 nan 0.000 0.465 439 L N 2.352 123.563 121.223 -0.020 0.000 2.482 439 L HA 0.040 4.380 4.340 0.000 0.000 0.273 439 L C -0.024 176.846 176.870 -0.001 0.000 1.228 439 L CA 0.270 55.092 54.840 -0.030 0.000 0.827 439 L CB 0.419 42.444 42.059 -0.058 0.000 1.099 439 L HN 0.743 nan 8.230 nan 0.000 0.494 440 D N -1.262 119.116 120.400 -0.036 0.000 2.798 440 D HA 0.183 4.823 4.640 0.000 0.000 0.308 440 D C 0.278 176.522 176.300 -0.092 0.000 1.187 440 D CA -0.648 53.332 54.000 -0.034 0.000 1.033 440 D CB 0.496 41.291 40.800 -0.010 0.000 1.445 440 D HN 0.313 nan 8.370 nan 0.000 0.550 441 E N -1.020 119.139 120.200 -0.068 0.000 2.160 441 E HA -0.140 4.210 4.350 0.000 0.000 0.195 441 E C 1.471 177.995 176.600 -0.126 0.000 0.991 441 E CA 1.390 57.739 56.400 -0.086 0.000 0.810 441 E CB -0.060 29.612 29.700 -0.047 0.000 0.742 441 E HN 0.312 nan 8.360 nan 0.000 0.466 442 Q N -0.911 118.821 119.800 -0.115 0.000 2.424 442 Q HA 0.066 4.406 4.340 0.000 0.000 0.204 442 Q C 1.389 177.293 176.000 -0.158 0.000 0.933 442 Q CA 1.313 57.038 55.803 -0.129 0.000 0.929 442 Q CB 0.645 29.326 28.738 -0.095 0.000 1.037 442 Q HN 0.471 nan 8.270 nan 0.000 0.511 443 T N -3.309 111.140 114.554 -0.175 0.000 3.004 443 T HA 0.269 4.619 4.350 0.000 0.000 0.266 443 T C 1.155 175.657 174.700 -0.330 0.000 0.986 443 T CA -0.356 61.625 62.100 -0.197 0.000 0.902 443 T CB -0.187 68.613 68.868 -0.113 0.000 1.118 443 T HN 0.203 nan 8.240 nan 0.000 0.522 444 I N -1.193 119.094 120.570 -0.472 0.000 3.418 444 I HA 0.517 4.687 4.170 0.000 0.000 0.279 444 I C 0.528 176.248 176.117 -0.661 0.000 1.143 444 I CA -1.516 59.241 61.300 -0.906 0.000 0.983 444 I CB 0.236 37.466 38.000 -1.283 0.000 1.558 444 I HN -0.016 nan 8.210 nan 0.000 0.766 445 Y N 3.464 123.220 120.300 -0.908 0.000 2.721 445 Y HA 0.126 4.676 4.550 0.000 0.000 0.329 445 Y C -1.662 174.043 175.900 -0.324 0.000 1.211 445 Y CA -1.224 56.586 58.100 -0.484 0.000 1.512 445 Y CB 0.453 38.629 38.460 -0.473 0.000 1.249 445 Y HN 0.410 nan 8.280 nan 0.000 0.549 446 P HA -0.016 nan 4.420 nan 0.000 0.251 446 P C -1.067 175.826 177.300 -0.679 0.000 1.223 446 P CA 0.873 63.584 63.100 -0.648 0.000 0.796 446 P CB 0.309 31.519 31.700 -0.817 0.000 1.068 447 Y N -1.333 118.830 120.300 -0.229 0.000 2.567 447 Y HA 0.368 4.918 4.550 0.000 0.000 0.333 447 Y C 0.530 176.682 175.900 0.420 0.000 1.106 447 Y CA -1.587 56.531 58.100 0.030 0.000 1.157 447 Y CB 0.184 38.505 38.460 -0.231 0.000 1.277 447 Y HN -0.240 nan 8.280 nan 0.000 0.490 448 Y N 4.193 124.774 120.300 0.467 0.000 2.650 448 Y HA 0.037 4.587 4.550 -0.000 0.000 0.331 448 Y C 0.930 177.142 175.900 0.520 0.000 1.165 448 Y CA 0.247 58.579 58.100 0.387 0.000 1.473 448 Y CB 0.088 38.705 38.460 0.260 0.000 1.224 448 Y HN 0.665 nan 8.280 nan 0.000 0.533 449 H N 3.466 122.393 119.070 -0.238 0.000 3.297 449 H HA 0.289 4.845 4.556 0.000 0.000 0.254 449 H C 1.128 176.342 175.328 -0.189 0.000 1.192 449 H CA 0.112 56.153 56.048 -0.011 0.000 1.058 449 H CB 0.096 29.986 29.762 0.213 0.000 1.777 449 H HN 0.883 nan 8.280 nan 0.000 0.696 450 G N 0.756 108.864 108.800 -1.153 0.000 2.199 450 G HA2 -0.258 3.703 3.960 0.000 0.000 0.254 450 G HA3 -0.258 3.703 3.960 0.000 0.000 0.254 450 G C -0.337 173.701 174.900 -1.437 0.000 0.982 450 G CA 0.298 44.595 45.100 -1.339 0.000 0.632 450 G HN 0.342 nan 8.290 nan 0.000 0.529 451 F N 0.549 119.971 119.950 -0.879 0.000 2.563 451 F HA 0.729 5.256 4.527 -0.000 0.000 0.316 451 F C 0.443 175.939 175.800 -0.507 0.000 1.076 451 F CA -0.933 56.652 58.000 -0.692 0.000 0.921 451 F CB 1.799 40.348 39.000 -0.752 0.000 1.209 451 F HN 0.036 nan 8.300 nan 0.000 0.462 452 E N -0.073 120.034 120.200 -0.155 0.000 2.303 452 E HA 0.310 4.660 4.350 0.000 0.000 0.254 452 E C 0.374 176.964 176.600 -0.018 0.000 0.979 452 E CA -0.518 55.834 56.400 -0.080 0.000 0.843 452 E CB 1.717 31.376 29.700 -0.068 0.000 1.245 452 E HN 0.631 nan 8.360 nan 0.000 0.413 453 T N 0.161 114.729 114.554 0.023 0.000 2.665 453 T HA -0.259 4.091 4.350 0.000 0.000 0.268 453 T C 1.824 176.613 174.700 0.147 0.000 1.035 453 T CA 2.083 64.221 62.100 0.064 0.000 1.151 453 T CB -0.491 68.415 68.868 0.064 0.000 0.862 453 T HN 0.566 nan 8.240 nan 0.000 0.438 454 Y N 1.812 122.222 120.300 0.183 0.000 2.193 454 Y HA -0.103 4.447 4.550 0.000 0.000 0.285 454 Y C 2.407 178.438 175.900 0.219 0.000 1.166 454 Y CA 1.014 59.255 58.100 0.235 0.000 1.181 454 Y CB -1.063 37.570 38.460 0.288 0.000 0.976 454 Y HN 0.062 nan 8.280 nan 0.000 0.520 455 S N 0.035 115.517 115.700 -0.363 0.000 2.368 455 S HA -0.167 4.303 4.470 0.000 0.000 0.225 455 S C 1.490 175.956 174.600 -0.225 0.000 1.030 455 S CA 1.476 59.474 58.200 -0.337 0.000 0.999 455 S CB -0.643 62.334 63.200 -0.372 0.000 0.844 455 S HN 0.691 nan 8.310 nan 0.000 0.459 456 W N 2.408 123.545 121.300 -0.271 0.000 2.355 456 W HA 0.002 4.662 4.660 0.000 0.000 0.309 456 W C 2.225 178.681 176.519 -0.105 0.000 1.206 456 W CA 0.727 58.002 57.345 -0.117 0.000 1.284 456 W CB -0.716 28.675 29.460 -0.116 0.000 1.145 456 W HN 0.340 nan 8.180 nan 0.000 0.502 457 I N -2.793 117.862 120.570 0.142 0.000 2.439 457 I HA -0.137 4.033 4.170 0.000 0.000 0.251 457 I C 1.798 177.842 176.117 -0.122 0.000 1.139 457 I CA 1.605 62.906 61.300 0.003 0.000 1.438 457 I CB -1.331 36.678 38.000 0.015 0.000 1.085 457 I HN -0.208 nan 8.210 nan 0.000 0.427 458 T N 1.678 116.247 114.554 0.024 0.000 2.777 458 T HA -0.051 4.299 4.350 0.000 0.000 0.266 458 T C 1.978 176.539 174.700 -0.231 0.000 1.040 458 T CA 1.579 63.745 62.100 0.110 0.000 1.141 458 T CB -0.144 68.962 68.868 0.397 0.000 0.868 458 T HN 0.218 nan 8.240 nan 0.000 0.444 459 M N 1.764 121.149 119.600 -0.359 0.000 2.117 459 M HA -0.027 4.453 4.480 0.000 0.000 0.262 459 M C 2.058 178.012 176.300 -0.576 0.000 1.065 459 M CA 1.223 56.155 55.300 -0.613 0.000 1.114 459 M CB -1.508 30.550 32.600 -0.903 0.000 1.361 459 M HN 0.158 nan 8.290 nan 0.000 0.408 460 N N 0.746 119.210 118.700 -0.394 0.000 2.043 460 N HA -0.086 4.654 4.740 0.000 0.000 0.193 460 N C 1.927 177.211 175.510 -0.377 0.000 1.037 460 N CA 1.282 54.141 53.050 -0.319 0.000 0.851 460 N CB -0.544 37.830 38.487 -0.189 0.000 1.027 460 N HN 0.355 nan 8.380 nan 0.000 0.422 461 L N 0.001 120.951 121.223 -0.455 0.000 2.141 461 L HA -0.018 4.322 4.340 0.000 0.000 0.209 461 L C 2.374 178.910 176.870 -0.556 0.000 1.094 461 L CA 1.061 55.600 54.840 -0.502 0.000 0.763 461 L CB -0.777 40.783 42.059 -0.832 0.000 0.908 461 L HN 0.219 nan 8.230 nan 0.000 0.437 462 G N 0.211 108.486 108.800 -0.874 0.000 2.402 462 G HA2 -0.178 3.782 3.960 0.000 0.000 0.216 462 G HA3 -0.178 3.782 3.960 0.000 0.000 0.216 462 G C 1.609 175.968 174.900 -0.901 0.000 1.162 462 G CA 0.459 44.607 45.100 -1.587 0.000 0.777 462 G HN 0.232 nan 8.290 nan 0.000 0.539 463 L N -0.428 120.420 121.223 -0.624 0.000 2.209 463 L HA 0.286 4.626 4.340 0.000 0.000 0.207 463 L C 2.056 178.828 176.870 -0.165 0.000 1.094 463 L CA 0.835 55.520 54.840 -0.259 0.000 0.790 463 L CB 0.159 42.051 42.059 -0.279 0.000 0.932 463 L HN 0.434 nan 8.230 nan 0.000 0.447 464 G N -0.077 108.602 108.800 -0.203 0.000 2.200 464 G HA2 -0.144 3.817 3.960 0.000 0.000 0.145 464 G HA3 -0.144 3.817 3.960 0.000 0.000 0.145 464 G C 0.072 174.910 174.900 -0.104 0.000 1.021 464 G CA -0.696 44.332 45.100 -0.120 0.000 0.720 464 G HN 0.133 nan 8.290 nan 0.000 0.494 465 I N 2.241 122.729 120.570 -0.136 0.000 2.256 465 I HA 0.388 4.558 4.170 0.000 0.000 0.294 465 I C 0.116 176.168 176.117 -0.109 0.000 1.127 465 I CA -0.550 60.687 61.300 -0.104 0.000 1.247 465 I CB 0.916 38.854 38.000 -0.103 0.000 1.460 465 I HN -0.117 nan 8.210 nan 0.000 0.511 466 V N 7.350 127.217 119.914 -0.078 0.000 2.628 466 V HA 0.422 4.542 4.120 0.000 0.000 0.306 466 V C -2.127 173.940 176.094 -0.046 0.000 1.045 466 V CA -1.930 60.333 62.300 -0.062 0.000 0.905 466 V CB 1.786 33.591 31.823 -0.029 0.000 0.997 466 V HN 0.462 nan 8.190 nan 0.000 0.436 467 P HA 0.107 nan 4.420 nan 0.000 0.269 467 P C 0.837 178.123 177.300 -0.023 0.000 1.209 467 P CA -0.011 63.072 63.100 -0.028 0.000 0.776 467 P CB 0.769 32.465 31.700 -0.007 0.000 0.876 468 E N 2.502 122.690 120.200 -0.020 0.000 2.085 468 E HA -0.192 4.158 4.350 0.000 0.000 0.194 468 E C 0.106 176.690 176.600 -0.026 0.000 0.994 468 E CA 1.260 57.648 56.400 -0.021 0.000 0.801 468 E CB 0.221 29.912 29.700 -0.014 0.000 0.743 468 E HN 0.345 nan 8.360 nan 0.000 0.453 469 R N -0.217 120.269 120.500 -0.023 0.000 2.799 469 R HA 0.365 4.705 4.340 0.000 0.000 0.270 469 R C -2.549 173.730 176.300 -0.036 0.000 1.010 469 R CA -2.023 54.056 56.100 -0.035 0.000 0.916 469 R CB 1.840 32.120 30.300 -0.033 0.000 1.228 469 R HN 0.060 nan 8.270 nan 0.000 0.469 470 P HA 0.084 nan 4.420 nan 0.000 0.273 470 P C -0.800 176.454 177.300 -0.076 0.000 1.250 470 P CA -0.401 62.657 63.100 -0.070 0.000 0.793 470 P CB 0.540 32.180 31.700 -0.100 0.000 1.011 471 R N 1.637 122.072 120.500 -0.108 0.000 2.480 471 R HA 0.027 4.367 4.340 0.000 0.000 0.303 471 R C -1.542 174.672 176.300 -0.143 0.000 0.985 471 R CA -0.950 55.079 56.100 -0.118 0.000 1.051 471 R CB -0.773 29.418 30.300 -0.182 0.000 0.935 471 R HN 0.376 nan 8.270 nan 0.000 0.410 472 P HA -0.159 nan 4.420 nan 0.000 0.218 472 P C 0.974 178.275 177.300 0.002 0.000 1.148 472 P CA 1.462 64.544 63.100 -0.030 0.000 0.822 472 P CB 0.186 31.891 31.700 0.008 0.000 0.784 473 A N -0.507 122.272 122.820 -0.068 0.000 1.978 473 A HA -0.183 4.137 4.320 0.000 0.000 0.220 473 A C 2.142 179.625 177.584 -0.169 0.000 1.170 473 A CA 1.376 53.368 52.037 -0.075 0.000 0.636 473 A CB -1.616 17.339 19.000 -0.075 0.000 0.810 473 A HN 0.159 nan 8.150 nan 0.000 0.448 474 L N -0.686 120.305 121.223 -0.386 0.000 2.201 474 L HA -0.127 4.213 4.340 0.000 0.000 0.212 474 L C 2.176 178.961 176.870 -0.142 0.000 1.105 474 L CA 0.672 55.234 54.840 -0.463 0.000 0.775 474 L CB -0.487 41.164 42.059 -0.680 0.000 0.913 474 L HN 0.384 nan 8.230 nan 0.000 0.440 475 L N -1.007 120.159 121.223 -0.096 0.000 2.376 475 L HA -0.143 4.197 4.340 0.000 0.000 0.219 475 L C 2.047 178.840 176.870 -0.129 0.000 1.133 475 L CA 0.682 55.460 54.840 -0.104 0.000 0.816 475 L CB -0.617 41.349 42.059 -0.154 0.000 0.933 475 L HN 0.426 nan 8.230 nan 0.000 0.449 476 H N -1.085 117.957 119.070 -0.046 0.000 2.539 476 H HA 0.265 4.821 4.556 0.000 0.000 0.269 476 H C 0.499 175.836 175.328 0.015 0.000 0.980 476 H CA 0.136 56.175 56.048 -0.015 0.000 1.152 476 H CB 0.516 30.267 29.762 -0.019 0.000 1.407 476 H HN 0.297 nan 8.280 nan 0.000 0.564 477 M N 0.631 120.311 119.600 0.133 0.000 2.578 477 M HA 0.123 4.603 4.480 0.000 0.000 0.321 477 M C -0.355 176.048 176.300 0.173 0.000 1.182 477 M CA -1.038 54.363 55.300 0.169 0.000 0.965 477 M CB 2.163 34.897 32.600 0.223 0.000 1.694 477 M HN -0.137 nan 8.290 nan 0.000 0.461 478 D N 3.619 124.103 120.400 0.139 0.000 2.412 478 D HA 0.082 4.722 4.640 0.000 0.000 0.257 478 D C -1.582 174.750 176.300 0.054 0.000 1.217 478 D CA -1.258 52.790 54.000 0.079 0.000 0.897 478 D CB 0.869 41.696 40.800 0.045 0.000 1.132 478 D HN 0.271 nan 8.370 nan 0.000 0.493 479 P HA 0.074 nan 4.420 nan 0.000 0.245 479 P C 0.901 178.089 177.300 -0.187 0.000 1.206 479 P CA 0.114 63.166 63.100 -0.079 0.000 0.781 479 P CB 0.329 32.052 31.700 0.038 0.000 0.994 480 A N 1.891 124.641 122.820 -0.117 0.000 1.892 480 A HA -0.115 4.205 4.320 0.000 0.000 0.218 480 A C -0.020 177.462 177.584 -0.170 0.000 1.188 480 A CA 1.850 53.822 52.037 -0.109 0.000 0.631 480 A CB -2.143 16.818 19.000 -0.064 0.000 0.822 480 A HN 0.200 nan 8.150 nan 0.000 0.447 481 P HA -0.150 nan 4.420 nan 0.000 0.216 481 P C 1.761 178.832 177.300 -0.382 0.000 1.153 481 P CA 2.068 65.022 63.100 -0.244 0.000 0.858 481 P CB -0.143 31.431 31.700 -0.210 0.000 0.789 482 A N -0.743 121.674 122.820 -0.671 0.000 1.898 482 A HA -0.147 4.173 4.320 0.000 0.000 0.216 482 A C 2.227 179.599 177.584 -0.353 0.000 1.181 482 A CA 1.385 52.919 52.037 -0.839 0.000 0.620 482 A CB -1.629 16.433 19.000 -1.562 0.000 0.819 482 A HN 0.102 nan 8.150 nan 0.000 0.442 483 L N -0.731 120.404 121.223 -0.146 0.000 2.083 483 L HA -0.195 4.145 4.340 0.000 0.000 0.209 483 L C 3.062 179.949 176.870 0.028 0.000 1.083 483 L CA 0.996 55.879 54.840 0.073 0.000 0.752 483 L CB -0.542 41.531 42.059 0.024 0.000 0.899 483 L HN 0.443 nan 8.230 nan 0.000 0.433 484 A N -0.155 122.624 122.820 -0.068 0.000 1.933 484 A HA -0.243 4.077 4.320 0.000 0.000 0.218 484 A C 2.202 179.743 177.584 -0.071 0.000 1.175 484 A CA 1.867 53.869 52.037 -0.058 0.000 0.628 484 A CB -0.382 18.572 19.000 -0.076 0.000 0.814 484 A HN 0.371 nan 8.150 nan 0.000 0.444 485 E N -0.623 119.482 120.200 -0.159 0.000 2.107 485 E HA -0.084 4.266 4.350 0.000 0.000 0.191 485 E C 1.532 178.039 176.600 -0.155 0.000 0.982 485 E CA 1.096 57.379 56.400 -0.195 0.000 0.809 485 E CB -0.466 29.047 29.700 -0.311 0.000 0.756 485 E HN 0.638 nan 8.360 nan 0.000 0.459 486 F N 0.709 120.623 119.950 -0.060 0.000 2.126 486 F HA -0.180 4.347 4.527 0.000 0.000 0.299 486 F C 2.413 178.196 175.800 -0.029 0.000 1.096 486 F CA 1.065 59.048 58.000 -0.030 0.000 1.255 486 F CB 0.052 39.047 39.000 -0.008 0.000 0.997 486 F HN 0.069 nan 8.300 nan 0.000 0.479 487 E N 0.241 120.528 120.200 0.144 0.000 2.072 487 E HA -0.131 4.219 4.350 0.000 0.000 0.191 487 E C 2.281 178.905 176.600 0.041 0.000 0.985 487 E CA 0.824 57.268 56.400 0.074 0.000 0.801 487 E CB -0.341 29.384 29.700 0.042 0.000 0.750 487 E HN 0.390 nan 8.360 nan 0.000 0.452 488 R N 0.283 120.792 120.500 0.016 0.000 2.096 488 R HA -0.116 4.224 4.340 0.000 0.000 0.240 488 R C 2.640 178.949 176.300 0.014 0.000 1.139 488 R CA 1.110 57.213 56.100 0.004 0.000 0.952 488 R CB -0.488 29.801 30.300 -0.019 0.000 0.854 488 R HN 0.162 nan 8.270 nan 0.000 0.436 489 L N 0.027 121.262 121.223 0.021 0.000 2.042 489 L HA -0.216 4.124 4.340 0.000 0.000 0.210 489 L C 2.842 179.735 176.870 0.038 0.000 1.076 489 L CA 1.445 56.303 54.840 0.030 0.000 0.749 489 L CB -0.412 41.670 42.059 0.038 0.000 0.893 489 L HN 0.207 nan 8.230 nan 0.000 0.432 490 R N 0.253 120.782 120.500 0.049 0.000 2.070 490 R HA -0.209 4.132 4.340 0.000 0.000 0.233 490 R C 2.513 178.827 176.300 0.023 0.000 1.137 490 R CA 1.765 57.886 56.100 0.035 0.000 0.945 490 R CB -0.184 30.139 30.300 0.038 0.000 0.845 490 R HN 0.204 nan 8.270 nan 0.000 0.430 491 R N 0.555 121.068 120.500 0.022 0.000 2.075 491 R HA -0.130 4.210 4.340 0.000 0.000 0.232 491 R C 1.913 178.222 176.300 0.014 0.000 1.126 491 R CA 1.910 58.019 56.100 0.015 0.000 0.963 491 R CB -0.067 30.240 30.300 0.013 0.000 0.858 491 R HN 0.367 nan 8.270 nan 0.000 0.435 492 E N -0.716 119.495 120.200 0.018 0.000 2.058 492 E HA -0.151 4.199 4.350 0.000 0.000 0.194 492 E C 1.930 178.539 176.600 0.016 0.000 0.997 492 E CA 1.167 57.581 56.400 0.023 0.000 0.801 492 E CB -0.279 29.441 29.700 0.033 0.000 0.746 492 E HN 0.596 nan 8.360 nan 0.000 0.450 493 G N 1.627 110.434 108.800 0.011 0.000 2.476 493 G HA2 -0.324 3.636 3.960 0.000 0.000 0.218 493 G HA3 -0.324 3.636 3.960 0.000 0.000 0.218 493 G C 1.116 176.009 174.900 -0.012 0.000 1.164 493 G CA 1.338 46.434 45.100 -0.007 0.000 0.768 493 G HN 0.146 nan 8.290 nan 0.000 0.560 494 D N 0.577 120.977 120.400 -0.000 0.000 2.097 494 D HA -0.058 4.582 4.640 0.000 0.000 0.195 494 D C 2.515 178.812 176.300 -0.004 0.000 0.989 494 D CA 1.114 55.114 54.000 -0.000 0.000 0.827 494 D CB -0.318 40.485 40.800 0.006 0.000 0.966 494 D HN 0.496 nan 8.370 nan 0.000 0.456 495 E N 0.168 120.368 120.200 -0.000 0.000 2.051 495 E HA -0.119 4.231 4.350 0.000 0.000 0.192 495 E C 2.400 178.995 176.600 -0.007 0.000 0.991 495 E CA 0.500 56.901 56.400 0.001 0.000 0.799 495 E CB -0.133 29.573 29.700 0.009 0.000 0.748 495 E HN 0.245 nan 8.360 nan 0.000 0.449 496 L N 0.968 122.181 121.223 -0.017 0.000 2.083 496 L HA -0.169 4.171 4.340 0.000 0.000 0.209 496 L C 2.651 179.478 176.870 -0.073 0.000 1.083 496 L CA 0.975 55.787 54.840 -0.047 0.000 0.752 496 L CB -0.584 41.423 42.059 -0.087 0.000 0.899 496 L HN 0.280 nan 8.230 nan 0.000 0.433 497 I N -3.015 117.518 120.570 -0.062 0.000 2.546 497 I HA -0.081 4.089 4.170 0.000 0.000 0.255 497 I C 2.541 178.639 176.117 -0.031 0.000 1.163 497 I CA 1.234 62.500 61.300 -0.056 0.000 1.457 497 I CB -0.563 37.413 38.000 -0.040 0.000 1.092 497 I HN 0.033 nan 8.210 nan 0.000 0.434 498 A N 1.263 124.071 122.820 -0.020 0.000 1.968 498 A HA 0.261 4.581 4.320 0.000 0.000 0.217 498 A C 2.475 180.054 177.584 -0.008 0.000 1.169 498 A CA 1.396 53.428 52.037 -0.009 0.000 0.638 498 A CB -0.628 18.370 19.000 -0.003 0.000 0.812 498 A HN 0.563 nan 8.150 nan 0.000 0.446 499 A N -0.825 121.987 122.820 -0.013 0.000 1.984 499 A HA 0.445 4.765 4.320 0.000 0.000 0.214 499 A C 0.976 178.552 177.584 -0.013 0.000 1.173 499 A CA 0.036 52.069 52.037 -0.007 0.000 0.673 499 A CB -0.224 18.776 19.000 -0.001 0.000 0.830 499 A HN 0.389 nan 8.150 nan 0.000 0.453 500 L N 1.538 122.740 121.223 -0.035 0.000 2.395 500 L HA 0.284 4.624 4.340 0.000 0.000 0.269 500 L C -1.892 174.962 176.870 -0.027 0.000 1.133 500 L CA -2.077 52.733 54.840 -0.050 0.000 0.812 500 L CB 0.853 42.844 42.059 -0.114 0.000 1.125 500 L HN 0.185 nan 8.230 nan 0.000 0.452 501 P HA 0.119 nan 4.420 nan 0.000 0.277 501 P C -0.786 176.527 177.300 0.022 0.000 1.271 501 P CA -0.560 62.557 63.100 0.028 0.000 0.795 501 P CB 0.900 32.647 31.700 0.079 0.000 1.101 502 S N -0.865 114.870 115.700 0.057 0.000 2.614 502 S HA 0.031 4.501 4.470 0.000 0.000 0.265 502 S C 1.561 176.223 174.600 0.103 0.000 1.303 502 S CA -0.389 57.852 58.200 0.070 0.000 1.000 502 S CB -0.210 63.049 63.200 0.099 0.000 0.935 502 S HN 0.710 nan 8.310 nan 0.000 0.551 503 C N 1.386 120.750 119.300 0.106 0.000 2.393 503 C HA -0.147 4.313 4.460 0.000 0.000 0.276 503 C C 2.329 177.463 174.990 0.241 0.000 1.215 503 C CA 1.531 60.645 59.018 0.160 0.000 1.743 503 C CB -1.832 25.998 27.740 0.150 0.000 2.044 503 C HN 0.965 nan 8.230 nan 0.000 0.464 504 Y N 1.514 121.884 120.300 0.117 0.000 2.181 504 Y HA -0.129 4.421 4.550 0.000 0.000 0.288 504 Y C 2.376 178.374 175.900 0.163 0.000 1.146 504 Y CA 2.396 60.574 58.100 0.130 0.000 1.164 504 Y CB -0.558 37.917 38.460 0.024 0.000 0.982 504 Y HN 0.488 nan 8.280 nan 0.000 0.515 505 E N -1.281 119.005 120.200 0.143 0.000 2.058 505 E HA -0.301 4.050 4.350 0.000 0.000 0.194 505 E C 1.952 178.543 176.600 -0.016 0.000 0.997 505 E CA 1.625 58.057 56.400 0.054 0.000 0.801 505 E CB -0.550 29.212 29.700 0.104 0.000 0.746 505 E HN 0.616 nan 8.360 nan 0.000 0.450 506 Y N 1.210 121.490 120.300 -0.033 0.000 2.181 506 Y HA -0.186 4.364 4.550 0.000 0.000 0.288 506 Y C 1.944 177.820 175.900 -0.041 0.000 1.146 506 Y CA 1.322 59.394 58.100 -0.048 0.000 1.164 506 Y CB -0.102 38.306 38.460 -0.087 0.000 0.982 506 Y HN -0.049 nan 8.280 nan 0.000 0.515 507 L N -0.552 120.671 121.223 -0.001 0.000 2.056 507 L HA -0.191 4.149 4.340 0.000 0.000 0.207 507 L C 2.788 179.458 176.870 -0.333 0.000 1.078 507 L CA 1.070 55.849 54.840 -0.101 0.000 0.749 507 L CB -0.965 41.178 42.059 0.141 0.000 0.901 507 L HN 0.308 nan 8.230 nan 0.000 0.433 508 A N 0.122 122.760 122.820 -0.302 0.000 1.917 508 A HA -0.280 4.040 4.320 0.000 0.000 0.219 508 A C 2.488 179.912 177.584 -0.267 0.000 1.182 508 A CA 2.267 54.143 52.037 -0.269 0.000 0.633 508 A CB -0.829 17.997 19.000 -0.290 0.000 0.819 508 A HN 0.533 nan 8.150 nan 0.000 0.448 509 S N -0.099 115.412 115.700 -0.314 0.000 2.515 509 S HA -0.015 4.455 4.470 0.000 0.000 0.231 509 S C 1.485 175.864 174.600 -0.368 0.000 0.987 509 S CA 1.028 59.039 58.200 -0.314 0.000 0.936 509 S CB -0.681 62.322 63.200 -0.329 0.000 0.766 509 S HN 0.946 nan 8.310 nan 0.000 0.528 510 I N -2.527 117.775 120.570 -0.446 0.000 4.018 510 I HA 0.298 4.468 4.170 0.000 0.000 0.337 510 I C 0.381 176.308 176.117 -0.317 0.000 1.327 510 I CA -0.716 60.364 61.300 -0.366 0.000 1.100 510 I CB -0.026 37.747 38.000 -0.377 0.000 1.025 510 I HN 0.039 nan 8.210 nan 0.000 0.396 511 Q N 0.000 119.592 119.800 -0.347 0.000 2.315 511 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 511 Q CA 0.000 55.608 55.803 -0.325 0.000 1.022 511 Q CB 0.000 28.529 28.738 -0.348 0.000 1.108 511 Q HN 0.000 nan 8.270 nan 0.000 0.481