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 2z5n_1_A DATA FIRST_RESID 5 DATA SEQUENCE WKPDEQGLQQ ILQLLKESQS PDTTIQRTVQ QKLEQLNQYP DFNNYLIFVL DATA SEQUENCE TKLKSEDEPT RSLSGLILKN NVKAHFQNFP NGVTDFIKSE CLNNIGDSSP DATA SEQUENCE LIRATVGILI TTIASKGELQ NWPDLLPKLC SLLDSEDYNT CEGAFGALQK DATA SEQUENCE ICEDSAEILD SDVLDRPLNI MIPKFLQFFK HSSPKIRSHA VACVNQFIIS DATA SEQUENCE RTQALMLHID SFIENLFALA GDEEPEVRKN VCRALVMLLE VRMDRLLPHM DATA SEQUENCE HNIVEYMLQR TQDQDENVAL EACEFWLTLA EQPICKDVLV RHLPKLIPVL DATA SEQUENCE VNGMKYSDID IILLKXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XDDDTISDWN LRKCSAAALD VLANVYRDEL LPHILPLLKE DATA SEQUENCE LLFHHEWVVK ESGILVLGAI AEGCMQGMIP YLPELIPHLI QCLSDKKALV DATA SEQUENCE RSITCWTLSR YAHWVVSQPP DTYLKPLMTE LLKRILDSNK RVQEAACSAF DATA SEQUENCE ATLEEEACTE LVPYLAYILD TLVFAFSKYQ HKNLLILYDA IGTLADSVGH DATA SEQUENCE HLNKPEYIQM LMPPLIQKWN MLKDEDKDLF PLLECLSSVA TALQSGFLPY DATA SEQUENCE CEPVYQRCVN LVQKTLAQAM LNNAQPDQYE APDKDFMIVA LDLLSGLAEG DATA SEQUENCE LGGNIEQLVA RSNILTLMYQ CMQDKMPEVR QSSFALLGDL TKACFQHVKP DATA SEQUENCE CIADFMPILG TNLNPEFISV CNNATWAIGE ISIQMGIEMQ PYIPMVLHQL DATA SEQUENCE VEIINRPNTP KTLLENTAIT IGRLGYVCPQ EVAPMLQQFI RPWCTSLRNI DATA SEQUENCE RDNEEKDSAF RGICTMISVN PSGVIQDFIF FCDAVASWIN PKDDLRDMFC DATA SEQUENCE KILHGFKNQV GDENWRRFSD QFPLPLKERL AAFYGV 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 5 W HA 0.000 nan 4.660 nan 0.000 0.303 5 W C 0.000 176.315 176.519 -0.341 0.000 1.175 5 W CA 0.000 57.106 57.345 -0.399 0.000 1.226 5 W CB 0.000 29.107 29.460 -0.588 0.000 1.126 6 K N 5.555 125.284 120.400 -1.119 0.000 2.412 6 K HA 0.169 4.483 4.320 -0.011 0.000 0.284 6 K C -1.782 173.900 176.600 -1.530 0.000 1.046 6 K CA -1.656 54.005 56.287 -1.043 0.000 0.999 6 K CB 0.616 32.686 32.500 -0.716 0.000 0.941 6 K HN 0.228 nan 8.250 nan 0.000 0.474 7 P HA -0.122 nan 4.420 nan 0.000 0.221 7 P C -0.720 176.291 177.300 -0.481 0.000 1.150 7 P CA 0.505 63.091 63.100 -0.858 0.000 0.800 7 P CB 0.175 31.506 31.700 -0.614 0.000 0.787 8 D N -0.302 119.845 120.400 -0.423 0.000 3.845 8 D HA -0.187 4.446 4.640 -0.011 0.000 0.227 8 D C 0.530 176.770 176.300 -0.100 0.000 1.092 8 D CA 0.324 54.199 54.000 -0.208 0.000 1.148 8 D CB -0.873 39.842 40.800 -0.142 0.000 0.803 8 D HN 0.192 nan 8.370 nan 0.000 0.395 9 E N 1.131 121.272 120.200 -0.099 0.000 2.533 9 E HA -0.199 4.144 4.350 -0.011 0.000 0.203 9 E C 1.099 177.670 176.600 -0.048 0.000 1.101 9 E CA 0.537 56.900 56.400 -0.061 0.000 0.894 9 E CB 0.289 29.959 29.700 -0.050 0.000 0.843 9 E HN 0.473 nan 8.360 nan 0.000 0.552 10 Q N -1.670 118.099 119.800 -0.051 0.000 2.226 10 Q HA 0.027 4.361 4.340 -0.011 0.000 0.199 10 Q C 1.982 177.930 176.000 -0.087 0.000 0.945 10 Q CA 1.073 56.847 55.803 -0.049 0.000 0.861 10 Q CB -0.318 28.401 28.738 -0.031 0.000 0.953 10 Q HN 0.242 nan 8.270 nan 0.000 0.490 11 G N 0.376 109.107 108.800 -0.114 0.000 3.026 11 G HA2 0.106 4.059 3.960 -0.011 0.000 0.208 11 G HA3 0.106 4.059 3.960 -0.011 0.000 0.208 11 G C 1.110 175.733 174.900 -0.462 0.000 1.169 11 G CA 0.094 45.008 45.100 -0.310 0.000 0.788 11 G HN 0.166 nan 8.290 nan 0.000 0.533 12 L N -0.882 120.232 121.223 -0.182 0.000 2.445 12 L HA 0.277 4.611 4.340 -0.011 0.000 0.207 12 L C 2.105 178.938 176.870 -0.062 0.000 1.053 12 L CA 0.778 55.562 54.840 -0.095 0.000 0.841 12 L CB 0.168 42.232 42.059 0.009 0.000 1.074 12 L HN 0.007 nan 8.230 nan 0.000 0.479 13 Q N -0.343 119.425 119.800 -0.052 0.000 2.482 13 Q HA -0.086 4.248 4.340 -0.011 0.000 0.209 13 Q C 1.615 177.589 176.000 -0.044 0.000 0.961 13 Q CA 0.580 56.364 55.803 -0.032 0.000 0.945 13 Q CB 0.023 28.748 28.738 -0.020 0.000 1.012 13 Q HN 0.639 nan 8.270 nan 0.000 0.515 14 Q N -0.074 119.676 119.800 -0.082 0.000 2.061 14 Q HA -0.035 4.298 4.340 -0.011 0.000 0.195 14 Q C 1.692 177.649 176.000 -0.071 0.000 0.967 14 Q CA 0.533 56.287 55.803 -0.082 0.000 0.829 14 Q CB 0.395 29.059 28.738 -0.123 0.000 0.900 14 Q HN 0.230 nan 8.270 nan 0.000 0.450 15 I N 0.974 121.479 120.570 -0.109 0.000 2.235 15 I HA -0.225 3.938 4.170 -0.011 0.000 0.241 15 I C 2.483 178.593 176.117 -0.012 0.000 1.085 15 I CA 0.874 62.138 61.300 -0.060 0.000 1.378 15 I CB -1.343 36.596 38.000 -0.103 0.000 1.076 15 I HN 0.296 nan 8.210 nan 0.000 0.415 16 L N 0.469 121.688 121.223 -0.007 0.000 2.030 16 L HA -0.342 3.992 4.340 -0.011 0.000 0.222 16 L C 2.811 179.690 176.870 0.015 0.000 1.082 16 L CA 1.962 56.813 54.840 0.018 0.000 0.785 16 L CB -0.585 41.489 42.059 0.025 0.000 0.895 16 L HN 0.304 nan 8.230 nan 0.000 0.439 17 Q N -0.231 119.572 119.800 0.006 0.000 2.020 17 Q HA -0.225 4.109 4.340 -0.011 0.000 0.202 17 Q C 1.922 177.929 176.000 0.011 0.000 0.982 17 Q CA 1.749 57.556 55.803 0.007 0.000 0.838 17 Q CB -0.452 28.287 28.738 0.002 0.000 0.899 17 Q HN 0.313 nan 8.270 nan 0.000 0.423 18 L N -0.034 121.196 121.223 0.011 0.000 2.633 18 L HA 0.015 4.348 4.340 -0.011 0.000 0.235 18 L C 1.505 178.392 176.870 0.029 0.000 1.163 18 L CA 1.077 55.929 54.840 0.019 0.000 0.859 18 L CB -0.164 41.907 42.059 0.020 0.000 0.973 18 L HN 0.325 nan 8.230 nan 0.000 0.451 19 L N -2.149 119.091 121.223 0.028 0.000 2.269 19 L HA -0.035 4.298 4.340 -0.011 0.000 0.200 19 L C 2.338 179.223 176.870 0.026 0.000 1.069 19 L CA 0.312 55.171 54.840 0.032 0.000 0.804 19 L CB -0.225 41.855 42.059 0.035 0.000 0.987 19 L HN 0.073 nan 8.230 nan 0.000 0.468 20 K N 0.805 121.218 120.400 0.022 0.000 2.020 20 K HA -0.231 4.082 4.320 -0.011 0.000 0.212 20 K C 1.600 178.210 176.600 0.017 0.000 1.050 20 K CA 2.124 58.422 56.287 0.019 0.000 0.929 20 K CB -0.134 32.376 32.500 0.017 0.000 0.714 20 K HN 0.432 nan 8.250 nan 0.000 0.443 21 E N 0.165 120.375 120.200 0.016 0.000 2.494 21 E HA -0.016 4.327 4.350 -0.011 0.000 0.193 21 E C 1.244 177.854 176.600 0.017 0.000 1.074 21 E CA 0.260 56.669 56.400 0.015 0.000 0.867 21 E CB 0.408 30.116 29.700 0.013 0.000 0.924 21 E HN -0.036 nan 8.360 nan 0.000 0.502 22 S N 0.298 116.010 115.700 0.021 0.000 2.561 22 S HA -0.020 4.443 4.470 -0.011 0.000 0.225 22 S C 1.437 176.050 174.600 0.021 0.000 0.977 22 S CA 0.593 58.807 58.200 0.024 0.000 0.926 22 S CB 0.046 63.265 63.200 0.031 0.000 0.769 22 S HN 0.391 nan 8.310 nan 0.000 0.533 23 Q N -0.293 119.518 119.800 0.019 0.000 2.322 23 Q HA 0.289 4.623 4.340 -0.011 0.000 0.250 23 Q C 0.416 176.424 176.000 0.014 0.000 0.853 23 Q CA -0.173 55.639 55.803 0.017 0.000 0.951 23 Q CB 0.322 29.069 28.738 0.016 0.000 1.114 23 Q HN 0.305 nan 8.270 nan 0.000 0.523 24 S N 2.325 118.033 115.700 0.013 0.000 2.702 24 S HA -0.049 4.414 4.470 -0.011 0.000 0.314 24 S C -1.615 172.992 174.600 0.011 0.000 1.244 24 S CA -0.887 57.320 58.200 0.012 0.000 1.058 24 S CB 0.495 63.702 63.200 0.011 0.000 0.783 24 S HN 0.012 nan 8.310 nan 0.000 0.503 25 P HA -0.172 nan 4.420 nan 0.000 0.218 25 P C -0.072 177.234 177.300 0.009 0.000 1.165 25 P CA 1.476 64.582 63.100 0.009 0.000 0.922 25 P CB -0.301 31.404 31.700 0.008 0.000 0.794 26 D N -1.119 119.286 120.400 0.009 0.000 2.493 26 D HA -0.054 4.580 4.640 -0.011 0.000 0.240 26 D C 0.650 176.955 176.300 0.009 0.000 1.142 26 D CA 0.557 54.562 54.000 0.008 0.000 0.872 26 D CB 0.124 40.928 40.800 0.007 0.000 1.173 26 D HN 0.096 nan 8.370 nan 0.000 0.467 27 T N 1.605 116.165 114.554 0.009 0.000 2.867 27 T HA -0.178 4.166 4.350 -0.011 0.000 0.268 27 T C 1.953 176.659 174.700 0.010 0.000 1.057 27 T CA 1.972 64.078 62.100 0.010 0.000 1.136 27 T CB -0.467 68.406 68.868 0.009 0.000 0.874 27 T HN 0.762 nan 8.240 nan 0.000 0.466 28 T N 2.024 116.583 114.554 0.008 0.000 2.570 28 T HA -0.159 4.184 4.350 -0.011 0.000 0.266 28 T C 1.910 176.616 174.700 0.009 0.000 1.071 28 T CA 1.367 63.471 62.100 0.008 0.000 1.172 28 T CB -0.868 68.004 68.868 0.007 0.000 0.864 28 T HN 0.372 nan 8.240 nan 0.000 0.421 29 I N 1.271 121.846 120.570 0.009 0.000 2.546 29 I HA -0.085 4.078 4.170 -0.011 0.000 0.255 29 I C 3.034 179.158 176.117 0.012 0.000 1.163 29 I CA 1.005 62.310 61.300 0.010 0.000 1.457 29 I CB -0.444 37.561 38.000 0.010 0.000 1.092 29 I HN 0.310 nan 8.210 nan 0.000 0.434 30 Q N 1.121 120.929 119.800 0.012 0.000 2.030 30 Q HA -0.257 4.077 4.340 -0.011 0.000 0.204 30 Q C 2.333 178.343 176.000 0.016 0.000 0.986 30 Q CA 1.979 57.791 55.803 0.015 0.000 0.843 30 Q CB -0.106 28.640 28.738 0.014 0.000 0.904 30 Q HN 0.267 nan 8.270 nan 0.000 0.420 31 R N -1.322 119.187 120.500 0.014 0.000 2.075 31 R HA -0.049 4.285 4.340 -0.011 0.000 0.226 31 R C 2.107 178.416 176.300 0.015 0.000 1.114 31 R CA 1.632 57.741 56.100 0.015 0.000 0.972 31 R CB -0.091 30.218 30.300 0.014 0.000 0.869 31 R HN 0.337 nan 8.270 nan 0.000 0.437 32 T N 0.069 114.630 114.554 0.012 0.000 2.684 32 T HA -0.129 4.214 4.350 -0.011 0.000 0.267 32 T C 1.794 176.502 174.700 0.012 0.000 1.036 32 T CA 1.464 63.571 62.100 0.011 0.000 1.148 32 T CB -0.232 68.642 68.868 0.009 0.000 0.863 32 T HN 0.017 nan 8.240 nan 0.000 0.436 33 V N 2.467 122.390 119.914 0.015 0.000 2.548 33 V HA -0.150 3.963 4.120 -0.011 0.000 0.249 33 V C 2.803 178.911 176.094 0.023 0.000 1.055 33 V CA 1.770 64.080 62.300 0.017 0.000 1.065 33 V CB -0.692 31.141 31.823 0.018 0.000 0.681 33 V HN 0.660 nan 8.190 nan 0.000 0.462 34 Q N -0.555 119.260 119.800 0.024 0.000 2.269 34 Q HA -0.173 4.160 4.340 -0.011 0.000 0.201 34 Q C 2.076 178.092 176.000 0.027 0.000 0.946 34 Q CA 1.350 57.171 55.803 0.031 0.000 0.877 34 Q CB -0.121 28.635 28.738 0.030 0.000 0.963 34 Q HN 0.634 nan 8.270 nan 0.000 0.472 35 Q N 1.073 120.884 119.800 0.019 0.000 2.134 35 Q HA 0.022 4.356 4.340 -0.011 0.000 0.195 35 Q C 1.160 177.161 176.000 0.002 0.000 0.958 35 Q CA 0.541 56.352 55.803 0.014 0.000 0.840 35 Q CB 0.372 29.119 28.738 0.015 0.000 0.918 35 Q HN 0.276 nan 8.270 nan 0.000 0.467 36 K N 0.412 120.814 120.400 0.003 0.000 2.643 36 K HA -0.085 4.228 4.320 -0.011 0.000 0.193 36 K C 1.159 177.753 176.600 -0.010 0.000 1.027 36 K CA 0.017 56.301 56.287 -0.004 0.000 1.033 36 K CB 0.266 32.768 32.500 0.002 0.000 0.827 36 K HN 0.091 nan 8.250 nan 0.000 0.500 37 L N 0.186 121.405 121.223 -0.006 0.000 2.670 37 L HA 0.020 4.354 4.340 -0.011 0.000 0.177 37 L C 1.497 178.333 176.870 -0.057 0.000 1.181 37 L CA 1.118 55.965 54.840 0.011 0.000 0.856 37 L CB -0.206 41.890 42.059 0.061 0.000 1.205 37 L HN 0.064 nan 8.230 nan 0.000 0.506 38 E N -0.581 119.605 120.200 -0.024 0.000 2.401 38 E HA -0.251 4.093 4.350 -0.011 0.000 0.199 38 E C 1.826 178.296 176.600 -0.218 0.000 1.023 38 E CA 1.308 57.650 56.400 -0.098 0.000 0.859 38 E CB -0.743 28.939 29.700 -0.030 0.000 0.780 38 E HN 0.640 nan 8.360 nan 0.000 0.523 39 Q N 0.564 120.279 119.800 -0.142 0.000 2.172 39 Q HA -0.025 4.309 4.340 -0.011 0.000 0.200 39 Q C 1.486 177.371 176.000 -0.192 0.000 0.964 39 Q CA 0.749 56.486 55.803 -0.110 0.000 0.855 39 Q CB -0.010 28.698 28.738 -0.051 0.000 0.918 39 Q HN 0.449 nan 8.270 nan 0.000 0.444 40 L N 1.295 122.336 121.223 -0.303 0.000 2.821 40 L HA -0.046 4.287 4.340 -0.011 0.000 0.254 40 L C 1.357 177.793 176.870 -0.724 0.000 1.151 40 L CA 0.112 54.770 54.840 -0.304 0.000 0.937 40 L CB -0.479 41.462 42.059 -0.196 0.000 1.141 40 L HN 0.254 nan 8.230 nan 0.000 0.425 41 N N -0.093 118.170 118.700 -0.728 0.000 2.467 41 N HA -0.144 4.589 4.740 -0.011 0.000 0.184 41 N C 1.969 177.476 175.510 -0.006 0.000 1.106 41 N CA 0.037 52.806 53.050 -0.468 0.000 0.892 41 N CB 0.291 38.669 38.487 -0.181 0.000 0.969 41 N HN 0.517 nan 8.380 nan 0.000 0.454 42 Q N -0.439 119.336 119.800 -0.041 0.000 2.135 42 Q HA -0.198 4.135 4.340 -0.011 0.000 0.204 42 Q C -0.206 175.779 176.000 -0.026 0.000 0.981 42 Q CA 0.932 56.703 55.803 -0.054 0.000 0.856 42 Q CB -0.660 27.981 28.738 -0.162 0.000 0.902 42 Q HN 0.413 nan 8.270 nan 0.000 0.425 43 Y N 2.913 123.240 120.300 0.045 0.000 2.632 43 Y HA 0.023 4.567 4.550 -0.011 0.000 0.329 43 Y C -1.253 174.735 175.900 0.146 0.000 1.174 43 Y CA -1.699 56.474 58.100 0.122 0.000 1.469 43 Y CB 0.198 38.791 38.460 0.221 0.000 1.242 43 Y HN 0.146 nan 8.280 nan 0.000 0.540 44 P HA -0.117 nan 4.420 nan 0.000 0.233 44 P C 0.162 177.529 177.300 0.112 0.000 1.167 44 P CA 1.237 64.419 63.100 0.137 0.000 0.770 44 P CB 0.068 31.795 31.700 0.045 0.000 0.837 45 D N -2.313 118.204 120.400 0.196 0.000 2.319 45 D HA -0.072 4.561 4.640 -0.011 0.000 0.230 45 D C 1.437 177.810 176.300 0.122 0.000 1.094 45 D CA -0.398 53.631 54.000 0.049 0.000 0.856 45 D CB -0.869 40.084 40.800 0.255 0.000 0.915 45 D HN 0.038 nan 8.370 nan 0.000 0.517 46 F N 1.336 121.377 119.950 0.151 0.000 2.149 46 F HA 0.143 4.663 4.527 -0.011 0.000 0.294 46 F C 1.482 177.379 175.800 0.161 0.000 1.095 46 F CA 0.959 59.105 58.000 0.244 0.000 1.276 46 F CB -0.410 38.723 39.000 0.222 0.000 1.023 46 F HN -0.089 nan 8.300 nan 0.000 0.480 47 N N 0.238 118.869 118.700 -0.114 0.000 2.573 47 N HA -0.160 4.573 4.740 -0.011 0.000 0.187 47 N C 1.417 176.798 175.510 -0.215 0.000 1.107 47 N CA 0.346 53.260 53.050 -0.227 0.000 0.918 47 N CB -0.331 38.132 38.487 -0.041 0.000 0.966 47 N HN 0.480 nan 8.380 nan 0.000 0.448 48 N N -0.255 118.243 118.700 -0.337 0.000 2.376 48 N HA -0.048 4.686 4.740 -0.011 0.000 0.177 48 N C 1.021 176.395 175.510 -0.228 0.000 1.024 48 N CA 0.371 53.129 53.050 -0.488 0.000 0.893 48 N CB 0.180 37.850 38.487 -1.361 0.000 0.980 48 N HN 0.264 nan 8.380 nan 0.000 0.439 49 Y N 0.586 120.841 120.300 -0.074 0.000 2.224 49 Y HA -0.091 4.452 4.550 -0.011 0.000 0.289 49 Y C 1.504 177.438 175.900 0.057 0.000 1.146 49 Y CA 0.523 58.686 58.100 0.106 0.000 1.182 49 Y CB 0.127 38.601 38.460 0.022 0.000 0.983 49 Y HN 0.033 nan 8.280 nan 0.000 0.524 50 L N -0.294 120.950 121.223 0.036 0.000 2.693 50 L HA -0.052 4.281 4.340 -0.011 0.000 0.242 50 L C 1.313 178.203 176.870 0.034 0.000 1.157 50 L CA 0.785 55.612 54.840 -0.022 0.000 0.929 50 L CB -0.317 41.628 42.059 -0.189 0.000 1.103 50 L HN 0.344 nan 8.230 nan 0.000 0.430 51 I N -2.690 117.948 120.570 0.114 0.000 4.530 51 I HA -0.005 4.159 4.170 -0.011 0.000 0.318 51 I C 1.827 178.041 176.117 0.161 0.000 1.257 51 I CA 0.419 61.771 61.300 0.086 0.000 1.301 51 I CB 0.080 38.089 38.000 0.014 0.000 1.297 51 I HN 0.190 nan 8.210 nan 0.000 0.451 52 F N 1.892 121.936 119.950 0.158 0.000 2.161 52 F HA -0.210 4.311 4.527 -0.011 0.000 0.300 52 F C 2.163 178.039 175.800 0.126 0.000 1.089 52 F CA 1.959 60.077 58.000 0.197 0.000 1.282 52 F CB -0.047 39.116 39.000 0.272 0.000 1.010 52 F HN -0.146 nan 8.300 nan 0.000 0.485 53 V N 0.093 120.155 119.914 0.247 0.000 2.427 53 V HA -0.256 3.858 4.120 -0.011 0.000 0.248 53 V C 2.199 178.298 176.094 0.008 0.000 1.051 53 V CA 1.666 64.039 62.300 0.121 0.000 1.048 53 V CB -0.775 31.139 31.823 0.151 0.000 0.666 53 V HN 0.398 nan 8.190 nan 0.000 0.456 54 L N -0.126 121.105 121.223 0.013 0.000 1.993 54 L HA -0.118 4.216 4.340 -0.011 0.000 0.206 54 L C 2.649 179.484 176.870 -0.057 0.000 1.074 54 L CA 2.701 57.531 54.840 -0.017 0.000 0.746 54 L CB -0.676 41.378 42.059 -0.008 0.000 0.896 54 L HN 0.345 nan 8.230 nan 0.000 0.435 55 T N -1.937 112.570 114.554 -0.078 0.000 2.942 55 T HA -0.074 4.270 4.350 -0.011 0.000 0.265 55 T C 1.780 176.389 174.700 -0.153 0.000 1.062 55 T CA 1.395 63.434 62.100 -0.101 0.000 1.139 55 T CB 0.075 68.881 68.868 -0.103 0.000 0.883 55 T HN 0.297 nan 8.240 nan 0.000 0.468 56 K N -0.328 119.902 120.400 -0.283 0.000 2.403 56 K HA 0.360 4.673 4.320 -0.011 0.000 0.199 56 K C 0.704 177.055 176.600 -0.415 0.000 1.199 56 K CA -0.137 55.895 56.287 -0.424 0.000 0.924 56 K CB 0.252 32.303 32.500 -0.749 0.000 1.137 56 K HN 0.193 nan 8.250 nan 0.000 0.510 57 L N 3.304 124.280 121.223 -0.411 0.000 2.376 57 L HA 0.061 4.394 4.340 -0.011 0.000 0.250 57 L C 0.046 176.861 176.870 -0.091 0.000 1.335 57 L CA 0.329 55.055 54.840 -0.190 0.000 1.214 57 L CB -0.103 41.921 42.059 -0.058 0.000 1.395 57 L HN 0.090 nan 8.230 nan 0.000 0.424 58 K N -0.076 120.274 120.400 -0.084 0.000 2.469 58 K HA 0.049 4.363 4.320 -0.011 0.000 0.201 58 K C 1.435 178.021 176.600 -0.023 0.000 1.028 58 K CA 0.297 56.555 56.287 -0.048 0.000 1.170 58 K CB 0.370 32.842 32.500 -0.048 0.000 0.874 58 K HN 0.551 nan 8.250 nan 0.000 0.507 59 S N -0.501 115.190 115.700 -0.015 0.000 2.511 59 S HA 0.032 4.496 4.470 -0.011 0.000 0.214 59 S C 0.511 175.115 174.600 0.007 0.000 0.997 59 S CA -0.308 57.892 58.200 0.000 0.000 0.908 59 S CB 0.151 63.356 63.200 0.009 0.000 0.803 59 S HN 0.149 nan 8.310 nan 0.000 0.504 60 E N 3.511 123.715 120.200 0.006 0.000 2.313 60 E HA 0.269 4.612 4.350 -0.011 0.000 0.272 60 E C -0.394 176.211 176.600 0.007 0.000 1.038 60 E CA -0.723 55.685 56.400 0.013 0.000 0.863 60 E CB 0.629 30.342 29.700 0.022 0.000 1.060 60 E HN 0.369 nan 8.360 nan 0.000 0.402 61 D N 2.452 122.858 120.400 0.010 0.000 2.368 61 D HA -0.064 4.569 4.640 -0.011 0.000 0.240 61 D C 0.562 176.867 176.300 0.007 0.000 1.169 61 D CA -0.078 53.927 54.000 0.008 0.000 0.906 61 D CB 0.889 41.695 40.800 0.009 0.000 1.187 61 D HN 0.686 nan 8.370 nan 0.000 0.435 62 E N 0.373 120.576 120.200 0.005 0.000 2.085 62 E HA -0.128 4.215 4.350 -0.011 0.000 0.194 62 E C -0.932 175.672 176.600 0.007 0.000 0.994 62 E CA 1.119 57.521 56.400 0.004 0.000 0.801 62 E CB -0.528 29.174 29.700 0.004 0.000 0.743 62 E HN 0.418 nan 8.360 nan 0.000 0.453 63 P HA -0.091 nan 4.420 nan 0.000 0.214 63 P C 1.196 178.504 177.300 0.013 0.000 1.162 63 P CA 1.659 64.765 63.100 0.011 0.000 0.874 63 P CB -0.097 31.610 31.700 0.011 0.000 0.784 64 T N -0.188 114.375 114.554 0.015 0.000 2.665 64 T HA -0.199 4.144 4.350 -0.011 0.000 0.268 64 T C 1.838 176.551 174.700 0.021 0.000 1.035 64 T CA 1.403 63.515 62.100 0.020 0.000 1.151 64 T CB -0.670 68.211 68.868 0.021 0.000 0.862 64 T HN 0.117 nan 8.240 nan 0.000 0.438 65 R N 0.639 121.148 120.500 0.016 0.000 2.097 65 R HA -0.126 4.207 4.340 -0.011 0.000 0.236 65 R C 3.002 179.309 176.300 0.011 0.000 1.135 65 R CA 1.797 57.904 56.100 0.012 0.000 0.934 65 R CB -0.735 29.565 30.300 0.000 0.000 0.846 65 R HN 0.324 nan 8.270 nan 0.000 0.431 66 S N 0.649 116.354 115.700 0.008 0.000 2.368 66 S HA -0.130 4.334 4.470 -0.011 0.000 0.225 66 S C 1.925 176.533 174.600 0.012 0.000 1.030 66 S CA 1.125 59.330 58.200 0.008 0.000 0.999 66 S CB -0.209 62.995 63.200 0.006 0.000 0.844 66 S HN 0.261 nan 8.310 nan 0.000 0.459 67 L N 1.469 122.701 121.223 0.016 0.000 2.012 67 L HA -0.041 4.292 4.340 -0.011 0.000 0.210 67 L C 2.500 179.383 176.870 0.021 0.000 1.073 67 L CA 2.519 57.371 54.840 0.019 0.000 0.748 67 L CB -1.231 40.841 42.059 0.022 0.000 0.891 67 L HN 0.408 nan 8.230 nan 0.000 0.431 68 S N -0.448 115.266 115.700 0.023 0.000 2.354 68 S HA -0.169 4.294 4.470 -0.011 0.000 0.219 68 S C 2.130 176.736 174.600 0.011 0.000 1.035 68 S CA 1.530 59.744 58.200 0.023 0.000 1.037 68 S CB -1.215 62.008 63.200 0.038 0.000 0.956 68 S HN 0.652 nan 8.310 nan 0.000 0.428 69 G N 1.529 110.337 108.800 0.013 0.000 2.475 69 G HA2 -0.188 3.766 3.960 -0.011 0.000 0.220 69 G HA3 -0.188 3.766 3.960 -0.011 0.000 0.220 69 G C 1.406 176.310 174.900 0.007 0.000 1.125 69 G CA 1.186 46.290 45.100 0.006 0.000 0.755 69 G HN 0.486 nan 8.290 nan 0.000 0.565 70 L N 0.757 121.987 121.223 0.011 0.000 2.017 70 L HA 0.104 4.438 4.340 -0.011 0.000 0.208 70 L C 2.763 179.645 176.870 0.020 0.000 1.073 70 L CA 1.207 56.056 54.840 0.015 0.000 0.745 70 L CB -0.605 41.463 42.059 0.016 0.000 0.894 70 L HN 0.277 nan 8.230 nan 0.000 0.432 71 I N -1.356 119.226 120.570 0.021 0.000 2.264 71 I HA -0.310 3.853 4.170 -0.011 0.000 0.248 71 I C 2.337 178.470 176.117 0.026 0.000 1.111 71 I CA 0.787 62.105 61.300 0.030 0.000 1.382 71 I CB -0.381 37.642 38.000 0.040 0.000 1.060 71 I HN 0.275 nan 8.210 nan 0.000 0.418 72 L N 1.383 122.608 121.223 0.003 0.000 2.013 72 L HA -0.282 4.052 4.340 -0.011 0.000 0.212 72 L C 2.548 179.440 176.870 0.038 0.000 1.073 72 L CA 1.932 56.773 54.840 0.000 0.000 0.753 72 L CB -0.906 41.142 42.059 -0.019 0.000 0.890 72 L HN 0.187 nan 8.230 nan 0.000 0.432 73 K N -0.278 120.143 120.400 0.034 0.000 2.089 73 K HA -0.253 4.061 4.320 -0.011 0.000 0.210 73 K C 1.748 178.380 176.600 0.053 0.000 1.048 73 K CA 2.106 58.418 56.287 0.041 0.000 0.926 73 K CB -0.424 32.093 32.500 0.028 0.000 0.714 73 K HN 0.533 nan 8.250 nan 0.000 0.448 74 N N 1.151 119.883 118.700 0.053 0.000 2.270 74 N HA -0.096 4.638 4.740 -0.011 0.000 0.181 74 N C 1.006 176.573 175.510 0.095 0.000 1.016 74 N CA 0.825 53.914 53.050 0.066 0.000 0.870 74 N CB -0.406 38.114 38.487 0.056 0.000 0.979 74 N HN 0.255 nan 8.380 nan 0.000 0.431 75 N N 0.428 119.181 118.700 0.087 0.000 2.501 75 N HA 0.014 4.748 4.740 -0.011 0.000 0.195 75 N C 1.198 176.828 175.510 0.199 0.000 1.213 75 N CA 0.106 53.224 53.050 0.114 0.000 0.864 75 N CB 0.321 38.864 38.487 0.094 0.000 0.999 75 N HN 0.094 nan 8.380 nan 0.000 0.454 76 V N -0.352 119.670 119.914 0.180 0.000 3.151 76 V HA 0.046 4.160 4.120 -0.011 0.000 0.241 76 V C 1.864 178.055 176.094 0.160 0.000 1.173 76 V CA 0.430 62.869 62.300 0.232 0.000 1.154 76 V CB 0.107 32.025 31.823 0.158 0.000 0.898 76 V HN 0.082 nan 8.190 nan 0.000 0.473 77 K N 1.317 121.780 120.400 0.107 0.000 2.001 77 K HA -0.046 4.267 4.320 -0.011 0.000 0.214 77 K C 1.019 177.689 176.600 0.117 0.000 1.050 77 K CA 1.796 58.127 56.287 0.074 0.000 0.934 77 K CB -0.205 32.334 32.500 0.066 0.000 0.718 77 K HN 0.486 nan 8.250 nan 0.000 0.443 78 A N -0.420 122.515 122.820 0.191 0.000 2.288 78 A HA 0.411 4.724 4.320 -0.011 0.000 0.328 78 A C -0.386 177.432 177.584 0.391 0.000 1.123 78 A CA -0.490 51.693 52.037 0.244 0.000 0.861 78 A CB 0.490 19.654 19.000 0.273 0.000 1.272 78 A HN 0.549 nan 8.150 nan 0.000 0.490 79 H N -1.730 117.430 119.070 0.151 0.000 3.109 79 H HA -0.194 4.355 4.556 -0.011 0.000 0.245 79 H C 0.417 175.865 175.328 0.199 0.000 1.187 79 H CA 1.272 57.416 56.048 0.160 0.000 1.136 79 H CB -1.451 28.409 29.762 0.163 0.000 1.243 79 H HN 0.675 nan 8.280 nan 0.000 0.328 80 F N 1.797 121.840 119.950 0.153 0.000 2.270 80 F HA -0.019 4.501 4.527 -0.011 0.000 0.295 80 F C 2.265 178.193 175.800 0.213 0.000 1.087 80 F CA 1.105 59.162 58.000 0.096 0.000 1.365 80 F CB 0.288 39.266 39.000 -0.037 0.000 1.056 80 F HN -0.061 nan 8.300 nan 0.000 0.506 81 Q N 0.342 120.308 119.800 0.277 0.000 2.437 81 Q HA -0.084 4.249 4.340 -0.011 0.000 0.210 81 Q C 0.717 176.820 176.000 0.170 0.000 0.972 81 Q CA 1.110 57.070 55.803 0.262 0.000 0.903 81 Q CB -0.731 28.122 28.738 0.192 0.000 0.967 81 Q HN 0.472 nan 8.270 nan 0.000 0.486 82 N N -0.017 118.757 118.700 0.124 0.000 2.327 82 N HA 0.107 4.841 4.740 -0.011 0.000 0.231 82 N C -0.968 174.556 175.510 0.024 0.000 1.130 82 N CA -0.329 52.751 53.050 0.050 0.000 0.845 82 N CB 0.131 38.658 38.487 0.067 0.000 1.073 82 N HN 0.156 nan 8.380 nan 0.000 0.496 83 F N 0.335 120.144 119.950 -0.235 0.000 2.444 83 F HA 0.544 5.065 4.527 -0.011 0.000 0.360 83 F C -2.578 173.094 175.800 -0.214 0.000 1.106 83 F CA -3.580 54.243 58.000 -0.295 0.000 1.170 83 F CB -0.100 38.523 39.000 -0.628 0.000 1.113 83 F HN -0.107 nan 8.300 nan 0.000 0.521 84 P HA 0.271 nan 4.420 nan 0.000 0.276 84 P C -0.284 176.879 177.300 -0.229 0.000 1.235 84 P CA -0.234 62.697 63.100 -0.281 0.000 0.772 84 P CB 0.917 32.514 31.700 -0.170 0.000 0.871 85 N N 1.666 120.199 118.700 -0.278 0.000 2.244 85 N HA -0.097 4.637 4.740 -0.011 0.000 0.183 85 N C 2.036 177.503 175.510 -0.072 0.000 1.016 85 N CA 1.524 54.503 53.050 -0.118 0.000 0.866 85 N CB -0.602 37.809 38.487 -0.126 0.000 0.980 85 N HN 0.575 nan 8.380 nan 0.000 0.430 86 G N 0.307 109.041 108.800 -0.109 0.000 2.440 86 G HA2 -0.208 3.746 3.960 -0.011 0.000 0.218 86 G HA3 -0.208 3.746 3.960 -0.011 0.000 0.218 86 G C 1.564 176.391 174.900 -0.121 0.000 1.154 86 G CA 0.849 45.885 45.100 -0.108 0.000 0.767 86 G HN 0.168 nan 8.290 nan 0.000 0.552 87 V N 0.797 120.613 119.914 -0.163 0.000 2.237 87 V HA -0.193 3.920 4.120 -0.011 0.000 0.245 87 V C 3.150 179.232 176.094 -0.021 0.000 1.046 87 V CA 2.444 64.650 62.300 -0.156 0.000 1.007 87 V CB -1.048 30.660 31.823 -0.191 0.000 0.638 87 V HN 0.387 nan 8.190 nan 0.000 0.445 88 T N -0.164 114.385 114.554 -0.008 0.000 2.652 88 T HA -0.209 4.134 4.350 -0.011 0.000 0.267 88 T C 1.639 176.275 174.700 -0.107 0.000 1.039 88 T CA 1.837 63.928 62.100 -0.015 0.000 1.153 88 T CB -0.463 68.463 68.868 0.098 0.000 0.863 88 T HN 0.484 nan 8.240 nan 0.000 0.428 89 D N 0.242 120.590 120.400 -0.087 0.000 2.218 89 D HA -0.036 4.598 4.640 -0.011 0.000 0.204 89 D C 1.602 177.862 176.300 -0.067 0.000 0.976 89 D CA 0.591 54.509 54.000 -0.137 0.000 0.853 89 D CB -0.370 40.386 40.800 -0.075 0.000 0.939 89 D HN 0.432 nan 8.370 nan 0.000 0.481 90 F N 1.058 120.927 119.950 -0.136 0.000 2.187 90 F HA -0.112 4.408 4.527 -0.011 0.000 0.295 90 F C 1.970 177.719 175.800 -0.085 0.000 1.091 90 F CA 0.699 58.643 58.000 -0.094 0.000 1.308 90 F CB 0.154 39.098 39.000 -0.093 0.000 1.030 90 F HN -0.205 nan 8.300 nan 0.000 0.487 91 I N 1.041 121.486 120.570 -0.208 0.000 2.179 91 I HA -0.274 3.889 4.170 -0.011 0.000 0.242 91 I C 2.147 178.115 176.117 -0.250 0.000 1.088 91 I CA 1.468 62.613 61.300 -0.257 0.000 1.357 91 I CB -1.594 36.340 38.000 -0.108 0.000 1.051 91 I HN 0.195 nan 8.210 nan 0.000 0.409 92 K N 0.378 120.589 120.400 -0.314 0.000 2.152 92 K HA -0.167 4.146 4.320 -0.011 0.000 0.206 92 K C 2.425 178.949 176.600 -0.126 0.000 1.048 92 K CA 1.628 57.637 56.287 -0.463 0.000 0.933 92 K CB -0.139 31.673 32.500 -1.148 0.000 0.721 92 K HN 0.178 nan 8.250 nan 0.000 0.447 93 S N 0.543 116.136 115.700 -0.178 0.000 2.362 93 S HA -0.077 4.386 4.470 -0.011 0.000 0.221 93 S C 1.727 176.257 174.600 -0.117 0.000 1.032 93 S CA 0.774 58.917 58.200 -0.096 0.000 0.973 93 S CB 0.041 63.186 63.200 -0.091 0.000 0.849 93 S HN 0.183 nan 8.310 nan 0.000 0.465 94 E N 0.668 120.701 120.200 -0.278 0.000 2.153 94 E HA -0.089 4.254 4.350 -0.011 0.000 0.194 94 E C 2.260 178.792 176.600 -0.114 0.000 0.988 94 E CA 0.785 57.041 56.400 -0.239 0.000 0.811 94 E CB -0.530 28.928 29.700 -0.403 0.000 0.746 94 E HN 0.554 nan 8.360 nan 0.000 0.466 95 C N 0.433 119.691 119.300 -0.070 0.000 2.541 95 C HA -0.065 4.389 4.460 -0.011 0.000 0.282 95 C C 2.585 177.596 174.990 0.036 0.000 1.263 95 C CA 0.116 59.137 59.018 0.005 0.000 1.709 95 C CB -1.065 26.717 27.740 0.069 0.000 2.097 95 C HN 0.321 nan 8.230 nan 0.000 0.480 96 L N 1.870 123.156 121.223 0.106 0.000 2.349 96 L HA -0.102 4.232 4.340 -0.011 0.000 0.220 96 L C 1.874 178.763 176.870 0.033 0.000 1.130 96 L CA 1.663 56.555 54.840 0.087 0.000 0.791 96 L CB -1.045 41.131 42.059 0.195 0.000 0.918 96 L HN 0.383 nan 8.230 nan 0.000 0.444 97 N N -0.532 118.179 118.700 0.018 0.000 2.240 97 N HA -0.017 4.716 4.740 -0.011 0.000 0.187 97 N C 1.080 176.584 175.510 -0.010 0.000 1.042 97 N CA 0.933 53.984 53.050 0.002 0.000 0.861 97 N CB -0.258 38.226 38.487 -0.004 0.000 1.026 97 N HN 0.395 nan 8.380 nan 0.000 0.441 98 N N 1.817 120.505 118.700 -0.020 0.000 2.535 98 N HA -0.014 4.720 4.740 -0.011 0.000 0.203 98 N C 1.401 176.897 175.510 -0.023 0.000 1.301 98 N CA -0.140 52.896 53.050 -0.024 0.000 0.859 98 N CB 0.059 38.524 38.487 -0.036 0.000 1.055 98 N HN 0.301 nan 8.380 nan 0.000 0.457 99 I N 0.021 120.578 120.570 -0.021 0.000 2.315 99 I HA -0.153 4.010 4.170 -0.011 0.000 0.251 99 I C 1.170 177.264 176.117 -0.037 0.000 1.125 99 I CA 1.123 62.405 61.300 -0.030 0.000 1.392 99 I CB 0.116 38.093 38.000 -0.038 0.000 1.065 99 I HN 0.003 nan 8.210 nan 0.000 0.424 100 G N 1.354 110.136 108.800 -0.030 0.000 4.873 100 G HA2 0.081 4.034 3.960 -0.011 0.000 0.314 100 G HA3 0.081 4.034 3.960 -0.011 0.000 0.314 100 G C -0.575 174.316 174.900 -0.016 0.000 1.426 100 G CA -0.399 44.682 45.100 -0.031 0.000 1.136 100 G HN 0.246 nan 8.290 nan 0.000 0.589 101 D N 1.094 121.484 120.400 -0.016 0.000 2.414 101 D HA -0.014 4.619 4.640 -0.011 0.000 0.242 101 D C 1.917 178.217 176.300 -0.001 0.000 1.129 101 D CA 0.409 54.403 54.000 -0.010 0.000 0.885 101 D CB 1.321 42.112 40.800 -0.014 0.000 1.198 101 D HN 0.247 nan 8.370 nan 0.000 0.437 102 S N 2.126 117.830 115.700 0.005 0.000 2.407 102 S HA -0.189 4.275 4.470 -0.011 0.000 0.235 102 S C 1.214 175.824 174.600 0.016 0.000 1.036 102 S CA 0.744 58.953 58.200 0.015 0.000 1.013 102 S CB -0.182 63.026 63.200 0.014 0.000 0.820 102 S HN 0.389 nan 8.310 nan 0.000 0.476 103 S N 2.191 117.896 115.700 0.008 0.000 2.513 103 S HA 0.385 4.848 4.470 -0.011 0.000 0.276 103 S C -1.730 172.875 174.600 0.008 0.000 1.254 103 S CA -1.849 56.357 58.200 0.009 0.000 1.053 103 S CB 1.017 64.219 63.200 0.004 0.000 0.958 103 S HN -0.024 nan 8.310 nan 0.000 0.491 104 P HA -0.160 nan 4.420 nan 0.000 0.215 104 P C 1.595 178.898 177.300 0.006 0.000 1.163 104 P CA 0.788 63.896 63.100 0.012 0.000 0.894 104 P CB 0.023 31.735 31.700 0.020 0.000 0.791 105 L N -1.096 120.130 121.223 0.006 0.000 2.017 105 L HA -0.159 4.174 4.340 -0.011 0.000 0.208 105 L C 2.133 179.003 176.870 -0.000 0.000 1.073 105 L CA 2.013 56.855 54.840 0.004 0.000 0.745 105 L CB -1.211 40.852 42.059 0.005 0.000 0.894 105 L HN -0.142 nan 8.230 nan 0.000 0.432 106 I N -0.316 120.253 120.570 -0.002 0.000 2.142 106 I HA -0.268 3.895 4.170 -0.011 0.000 0.240 106 I C 2.694 178.805 176.117 -0.011 0.000 1.078 106 I CA 1.476 62.771 61.300 -0.007 0.000 1.343 106 I CB -1.349 36.645 38.000 -0.010 0.000 1.046 106 I HN 0.427 nan 8.210 nan 0.000 0.405 107 R N 1.046 121.538 120.500 -0.012 0.000 2.119 107 R HA -0.227 4.107 4.340 -0.011 0.000 0.246 107 R C 2.335 178.623 176.300 -0.020 0.000 1.146 107 R CA 2.030 58.118 56.100 -0.020 0.000 0.962 107 R CB -0.146 30.140 30.300 -0.024 0.000 0.863 107 R HN 0.374 nan 8.270 nan 0.000 0.442 108 A N -0.064 122.748 122.820 -0.012 0.000 1.858 108 A HA -0.148 4.166 4.320 -0.011 0.000 0.216 108 A C 2.192 179.771 177.584 -0.008 0.000 1.190 108 A CA 2.082 54.114 52.037 -0.008 0.000 0.617 108 A CB -1.059 17.941 19.000 -0.001 0.000 0.827 108 A HN 0.506 nan 8.150 nan 0.000 0.443 109 T N 0.092 114.643 114.554 -0.005 0.000 2.607 109 T HA -0.196 4.147 4.350 -0.011 0.000 0.267 109 T C 1.865 176.563 174.700 -0.002 0.000 1.049 109 T CA 1.856 63.955 62.100 -0.001 0.000 1.162 109 T CB -0.880 67.988 68.868 -0.000 0.000 0.863 109 T HN 0.144 nan 8.240 nan 0.000 0.424 110 V N 1.803 121.713 119.914 -0.007 0.000 2.231 110 V HA -0.234 3.879 4.120 -0.011 0.000 0.250 110 V C 2.947 179.039 176.094 -0.004 0.000 1.058 110 V CA 2.182 64.480 62.300 -0.004 0.000 1.022 110 V CB -1.603 30.213 31.823 -0.012 0.000 0.640 110 V HN 0.671 nan 8.190 nan 0.000 0.445 111 G N -0.559 108.230 108.800 -0.018 0.000 2.503 111 G HA2 -0.322 3.632 3.960 -0.011 0.000 0.221 111 G HA3 -0.322 3.632 3.960 -0.011 0.000 0.221 111 G C 1.565 176.452 174.900 -0.022 0.000 1.131 111 G CA 1.347 46.429 45.100 -0.030 0.000 0.756 111 G HN 0.491 nan 8.290 nan 0.000 0.572 112 I N -0.053 120.511 120.570 -0.011 0.000 2.286 112 I HA 0.005 4.168 4.170 -0.011 0.000 0.245 112 I C 2.476 178.595 176.117 0.005 0.000 1.104 112 I CA 0.719 62.015 61.300 -0.005 0.000 1.397 112 I CB -0.186 37.813 38.000 -0.001 0.000 1.072 112 I HN 0.070 nan 8.210 nan 0.000 0.417 113 L N 0.293 121.526 121.223 0.017 0.000 2.042 113 L HA -0.233 4.100 4.340 -0.011 0.000 0.210 113 L C 2.368 179.277 176.870 0.064 0.000 1.076 113 L CA 1.952 56.815 54.840 0.038 0.000 0.749 113 L CB -0.811 41.272 42.059 0.041 0.000 0.893 113 L HN 0.233 nan 8.230 nan 0.000 0.432 114 I N -1.416 119.186 120.570 0.055 0.000 2.127 114 I HA -0.344 3.819 4.170 -0.011 0.000 0.241 114 I C 2.354 178.470 176.117 -0.002 0.000 1.075 114 I CA 1.761 63.088 61.300 0.045 0.000 1.334 114 I CB -0.805 37.171 38.000 -0.041 0.000 1.040 114 I HN 0.212 nan 8.210 nan 0.000 0.405 115 T N 0.128 114.666 114.554 -0.026 0.000 2.759 115 T HA -0.185 4.158 4.350 -0.011 0.000 0.269 115 T C 1.883 176.566 174.700 -0.028 0.000 1.042 115 T CA 2.066 64.144 62.100 -0.037 0.000 1.140 115 T CB -0.343 68.504 68.868 -0.035 0.000 0.864 115 T HN 0.419 nan 8.240 nan 0.000 0.455 116 T N 2.008 116.554 114.554 -0.012 0.000 2.668 116 T HA 0.033 4.377 4.350 -0.011 0.000 0.262 116 T C 1.976 176.648 174.700 -0.047 0.000 1.045 116 T CA 1.004 63.089 62.100 -0.026 0.000 1.152 116 T CB -0.431 68.433 68.868 -0.006 0.000 0.864 116 T HN 0.300 nan 8.240 nan 0.000 0.419 117 I N 1.478 122.058 120.570 0.016 0.000 2.118 117 I HA -0.162 4.001 4.170 -0.011 0.000 0.241 117 I C 1.923 178.060 176.117 0.033 0.000 1.070 117 I CA 0.936 62.262 61.300 0.044 0.000 1.327 117 I CB -0.407 37.743 38.000 0.251 0.000 1.034 117 I HN 0.141 nan 8.210 nan 0.000 0.405 118 A N -0.434 122.419 122.820 0.056 0.000 3.051 118 A HA 0.259 4.573 4.320 -0.011 0.000 0.257 118 A C 1.101 178.658 177.584 -0.046 0.000 1.785 118 A CA 1.025 53.059 52.037 -0.005 0.000 1.420 118 A CB -0.215 18.734 19.000 -0.084 0.000 1.063 118 A HN 0.415 nan 8.150 nan 0.000 0.630 119 S N -0.906 114.749 115.700 -0.075 0.000 3.556 119 S HA -0.043 4.420 4.470 -0.011 0.000 0.136 119 S C 1.492 176.000 174.600 -0.154 0.000 0.816 119 S CA 0.657 58.803 58.200 -0.090 0.000 1.420 119 S CB -0.600 62.555 63.200 -0.074 0.000 1.235 119 S HN 0.469 nan 8.310 nan 0.000 0.338 120 K N 1.797 122.050 120.400 -0.246 0.000 2.021 120 K HA 0.284 4.598 4.320 -0.011 0.000 0.205 120 K C 1.316 177.521 176.600 -0.659 0.000 1.047 120 K CA 1.835 57.857 56.287 -0.442 0.000 0.943 120 K CB -0.783 31.387 32.500 -0.550 0.000 0.725 120 K HN 0.340 nan 8.250 nan 0.000 0.439 121 G N 0.566 108.951 108.800 -0.692 0.000 3.639 121 G HA2 0.169 4.123 3.960 -0.011 0.000 0.279 121 G HA3 0.169 4.123 3.960 -0.011 0.000 0.279 121 G C -0.704 174.124 174.900 -0.120 0.000 1.312 121 G CA -0.114 44.710 45.100 -0.460 0.000 1.355 121 G HN 0.365 nan 8.290 nan 0.000 0.595 122 E N -1.410 118.720 120.200 -0.116 0.000 3.911 122 E HA -0.247 4.096 4.350 -0.011 0.000 0.227 122 E C 1.088 177.692 176.600 0.007 0.000 1.503 122 E CA 0.972 57.350 56.400 -0.036 0.000 2.398 122 E CB -0.587 29.112 29.700 -0.001 0.000 2.117 122 E HN 0.073 nan 8.360 nan 0.000 0.454 123 L N -0.553 120.684 121.223 0.022 0.000 2.526 123 L HA 0.105 4.438 4.340 -0.011 0.000 0.210 123 L C 2.162 179.069 176.870 0.061 0.000 1.048 123 L CA 0.899 55.755 54.840 0.027 0.000 0.852 123 L CB -1.486 40.570 42.059 -0.004 0.000 1.128 123 L HN 0.545 nan 8.230 nan 0.000 0.482 124 Q N 1.451 121.283 119.800 0.053 0.000 2.135 124 Q HA -0.211 4.122 4.340 -0.011 0.000 0.204 124 Q C 1.484 177.546 176.000 0.103 0.000 0.981 124 Q CA 1.749 57.590 55.803 0.063 0.000 0.856 124 Q CB 0.052 28.819 28.738 0.047 0.000 0.902 124 Q HN 0.473 nan 8.270 nan 0.000 0.425 125 N N -0.707 118.065 118.700 0.120 0.000 2.309 125 N HA -0.121 4.612 4.740 -0.011 0.000 0.182 125 N C -0.089 175.551 175.510 0.216 0.000 1.018 125 N CA 0.744 53.882 53.050 0.147 0.000 0.876 125 N CB -0.147 38.423 38.487 0.139 0.000 0.972 125 N HN 0.275 nan 8.380 nan 0.000 0.434 126 W N 2.933 124.245 121.300 0.020 0.000 2.227 126 W HA 0.393 5.046 4.660 -0.011 0.000 0.308 126 W C -2.139 174.382 176.519 0.003 0.000 0.882 126 W CA -2.768 54.586 57.345 0.015 0.000 1.707 126 W CB 0.438 29.901 29.460 0.004 0.000 1.782 126 W HN 0.043 nan 8.180 nan 0.000 0.385 127 P HA -0.158 nan 4.420 nan 0.000 0.217 127 P C 0.767 178.122 177.300 0.092 0.000 1.151 127 P CA 1.766 64.949 63.100 0.139 0.000 0.828 127 P CB 0.550 32.316 31.700 0.110 0.000 0.788 128 D N 0.084 120.600 120.400 0.193 0.000 2.178 128 D HA -0.142 4.491 4.640 -0.011 0.000 0.201 128 D C 1.976 178.247 176.300 -0.047 0.000 0.980 128 D CA 0.451 54.521 54.000 0.117 0.000 0.842 128 D CB -1.067 39.870 40.800 0.229 0.000 0.948 128 D HN 0.036 nan 8.370 nan 0.000 0.472 129 L N 0.573 121.613 121.223 -0.305 0.000 1.997 129 L HA -0.177 4.157 4.340 -0.011 0.000 0.216 129 L C 1.989 178.612 176.870 -0.411 0.000 1.074 129 L CA 1.617 56.017 54.840 -0.734 0.000 0.763 129 L CB -0.676 40.469 42.059 -1.523 0.000 0.890 129 L HN 0.203 nan 8.230 nan 0.000 0.434 130 L N -0.637 120.412 121.223 -0.290 0.000 2.023 130 L HA -0.047 4.286 4.340 -0.011 0.000 0.205 130 L C -0.497 176.267 176.870 -0.177 0.000 1.073 130 L CA 1.208 55.921 54.840 -0.211 0.000 0.745 130 L CB -1.337 40.628 42.059 -0.157 0.000 0.900 130 L HN 0.210 nan 8.230 nan 0.000 0.435 131 P HA -0.128 nan 4.420 nan 0.000 0.230 131 P C 0.952 178.185 177.300 -0.113 0.000 1.158 131 P CA 1.030 64.057 63.100 -0.121 0.000 0.769 131 P CB 0.081 31.730 31.700 -0.084 0.000 0.807 132 K N -0.052 120.278 120.400 -0.117 0.000 2.076 132 K HA -0.005 4.309 4.320 -0.011 0.000 0.204 132 K C 1.835 178.361 176.600 -0.124 0.000 1.051 132 K CA 0.999 57.228 56.287 -0.097 0.000 0.949 132 K CB -0.847 31.609 32.500 -0.073 0.000 0.726 132 K HN 0.013 nan 8.250 nan 0.000 0.443 133 L N 0.031 121.152 121.223 -0.169 0.000 2.005 133 L HA -0.172 4.161 4.340 -0.011 0.000 0.207 133 L C 2.538 179.283 176.870 -0.209 0.000 1.072 133 L CA 1.182 55.911 54.840 -0.186 0.000 0.744 133 L CB -0.651 41.283 42.059 -0.208 0.000 0.895 133 L HN 0.376 nan 8.230 nan 0.000 0.433 134 C N -0.183 118.978 119.300 -0.231 0.000 2.400 134 C HA -0.175 4.278 4.460 -0.011 0.000 0.291 134 C C 3.192 178.064 174.990 -0.197 0.000 1.372 134 C CA 1.270 60.122 59.018 -0.276 0.000 1.800 134 C CB -0.992 26.578 27.740 -0.284 0.000 1.869 134 C HN 0.730 nan 8.230 nan 0.000 0.533 135 S N -0.584 115.030 115.700 -0.144 0.000 2.398 135 S HA 0.027 4.491 4.470 -0.011 0.000 0.220 135 S C 1.406 175.960 174.600 -0.076 0.000 1.046 135 S CA 0.445 58.590 58.200 -0.093 0.000 0.953 135 S CB -0.745 62.412 63.200 -0.071 0.000 0.856 135 S HN 0.373 nan 8.310 nan 0.000 0.506 136 L N 1.358 122.528 121.223 -0.089 0.000 2.749 136 L HA 0.364 4.697 4.340 -0.011 0.000 0.245 136 L C 1.338 178.152 176.870 -0.093 0.000 1.156 136 L CA 0.510 55.306 54.840 -0.073 0.000 0.890 136 L CB -0.852 41.162 42.059 -0.074 0.000 1.036 136 L HN 0.373 nan 8.230 nan 0.000 0.441 137 L N -1.464 119.684 121.223 -0.125 0.000 2.592 137 L HA 0.130 4.464 4.340 -0.011 0.000 0.227 137 L C 1.249 178.126 176.870 0.011 0.000 1.127 137 L CA 0.839 55.569 54.840 -0.183 0.000 0.884 137 L CB -0.098 41.750 42.059 -0.353 0.000 1.065 137 L HN 0.184 nan 8.230 nan 0.000 0.457 138 D N -2.070 118.364 120.400 0.056 0.000 2.433 138 D HA 0.089 4.723 4.640 -0.011 0.000 0.211 138 D C 0.717 177.069 176.300 0.088 0.000 1.114 138 D CA 0.133 54.209 54.000 0.127 0.000 0.837 138 D CB 0.552 41.401 40.800 0.081 0.000 0.984 138 D HN 0.111 nan 8.370 nan 0.000 0.505 139 S N 1.605 117.337 115.700 0.054 0.000 2.558 139 S HA -0.083 4.380 4.470 -0.011 0.000 0.293 139 S C 1.614 176.264 174.600 0.082 0.000 1.292 139 S CA -0.093 58.138 58.200 0.050 0.000 1.063 139 S CB 0.830 64.047 63.200 0.028 0.000 0.831 139 S HN 0.207 nan 8.310 nan 0.000 0.499 140 E N 2.800 123.046 120.200 0.077 0.000 2.153 140 E HA -0.176 4.168 4.350 -0.011 0.000 0.194 140 E C 0.256 176.929 176.600 0.121 0.000 0.988 140 E CA 0.808 57.265 56.400 0.095 0.000 0.811 140 E CB -0.358 29.385 29.700 0.072 0.000 0.746 140 E HN 0.728 nan 8.360 nan 0.000 0.466 141 D N -0.057 120.406 120.400 0.104 0.000 2.371 141 D HA -0.060 4.573 4.640 -0.011 0.000 0.256 141 D C 0.582 176.984 176.300 0.170 0.000 1.193 141 D CA -0.275 53.798 54.000 0.123 0.000 0.881 141 D CB 0.463 41.310 40.800 0.078 0.000 1.143 141 D HN 0.145 nan 8.370 nan 0.000 0.473 142 Y N 4.420 124.767 120.300 0.078 0.000 2.081 142 Y HA -0.344 4.199 4.550 -0.011 0.000 0.280 142 Y C 1.632 177.579 175.900 0.078 0.000 1.163 142 Y CA 1.638 59.796 58.100 0.097 0.000 1.135 142 Y CB -0.077 38.441 38.460 0.097 0.000 0.970 142 Y HN 0.454 nan 8.280 nan 0.000 0.498 143 N N -0.288 118.405 118.700 -0.012 0.000 2.132 143 N HA -0.202 4.532 4.740 -0.011 0.000 0.191 143 N C 1.808 177.256 175.510 -0.104 0.000 1.015 143 N CA 2.286 55.270 53.050 -0.109 0.000 0.864 143 N CB -0.856 37.627 38.487 -0.006 0.000 1.006 143 N HN 0.642 nan 8.380 nan 0.000 0.430 144 T N -3.020 111.507 114.554 -0.045 0.000 2.896 144 T HA -0.052 4.291 4.350 -0.011 0.000 0.263 144 T C 2.362 177.026 174.700 -0.062 0.000 1.050 144 T CA 0.835 62.909 62.100 -0.043 0.000 1.140 144 T CB -0.948 67.913 68.868 -0.012 0.000 0.877 144 T HN 0.332 nan 8.240 nan 0.000 0.457 145 C N 1.601 120.873 119.300 -0.047 0.000 2.508 145 C HA 0.041 4.494 4.460 -0.011 0.000 0.280 145 C C 2.826 177.790 174.990 -0.044 0.000 1.262 145 C CA 1.221 60.222 59.018 -0.027 0.000 1.706 145 C CB -0.892 26.891 27.740 0.071 0.000 2.078 145 C HN 0.619 nan 8.230 nan 0.000 0.480 146 E N 0.489 120.586 120.200 -0.172 0.000 2.153 146 E HA -0.083 4.261 4.350 -0.011 0.000 0.194 146 E C 2.189 178.705 176.600 -0.139 0.000 0.988 146 E CA 1.705 58.000 56.400 -0.174 0.000 0.811 146 E CB -0.642 28.722 29.700 -0.559 0.000 0.746 146 E HN 0.727 nan 8.360 nan 0.000 0.466 147 G N 0.620 109.327 108.800 -0.154 0.000 2.408 147 G HA2 -0.152 3.801 3.960 -0.011 0.000 0.217 147 G HA3 -0.152 3.801 3.960 -0.011 0.000 0.217 147 G C 1.692 176.529 174.900 -0.105 0.000 1.150 147 G CA 1.065 46.097 45.100 -0.113 0.000 0.776 147 G HN 0.413 nan 8.290 nan 0.000 0.542 148 A N 0.221 122.980 122.820 -0.101 0.000 1.872 148 A HA 0.207 4.520 4.320 -0.011 0.000 0.214 148 A C 2.185 179.701 177.584 -0.113 0.000 1.187 148 A CA 1.034 53.001 52.037 -0.116 0.000 0.614 148 A CB -0.559 18.363 19.000 -0.130 0.000 0.826 148 A HN 0.338 nan 8.150 nan 0.000 0.442 149 F N 0.678 120.472 119.950 -0.260 0.000 2.171 149 F HA -0.094 4.427 4.527 -0.011 0.000 0.300 149 F C 2.453 177.918 175.800 -0.558 0.000 1.090 149 F CA 0.781 58.582 58.000 -0.332 0.000 1.293 149 F CB -0.084 38.718 39.000 -0.329 0.000 1.013 149 F HN 0.336 nan 8.300 nan 0.000 0.486 150 G N -0.525 108.018 108.800 -0.428 0.000 2.422 150 G HA2 -0.250 3.703 3.960 -0.011 0.000 0.218 150 G HA3 -0.250 3.703 3.960 -0.011 0.000 0.218 150 G C 1.701 176.472 174.900 -0.215 0.000 1.146 150 G CA 0.738 45.517 45.100 -0.535 0.000 0.769 150 G HN 0.490 nan 8.290 nan 0.000 0.547 151 A N 0.467 123.200 122.820 -0.144 0.000 1.872 151 A HA 0.218 4.531 4.320 -0.011 0.000 0.214 151 A C 2.359 179.890 177.584 -0.087 0.000 1.187 151 A CA 0.963 52.938 52.037 -0.103 0.000 0.614 151 A CB -0.501 18.434 19.000 -0.108 0.000 0.826 151 A HN 0.305 nan 8.150 nan 0.000 0.442 152 L N -0.463 120.714 121.223 -0.077 0.000 2.189 152 L HA -0.290 4.043 4.340 -0.011 0.000 0.214 152 L C 2.863 179.732 176.870 -0.001 0.000 1.097 152 L CA 1.861 56.689 54.840 -0.020 0.000 0.764 152 L CB -0.223 41.837 42.059 0.000 0.000 0.900 152 L HN 0.640 nan 8.230 nan 0.000 0.436 153 Q N -0.079 119.705 119.800 -0.026 0.000 1.984 153 Q HA -0.260 4.073 4.340 -0.011 0.000 0.196 153 Q C 2.191 178.162 176.000 -0.048 0.000 0.975 153 Q CA 1.487 57.261 55.803 -0.048 0.000 0.827 153 Q CB 0.043 28.757 28.738 -0.040 0.000 0.894 153 Q HN 0.123 nan 8.270 nan 0.000 0.438 154 K N 0.666 121.038 120.400 -0.046 0.000 2.113 154 K HA -0.145 4.169 4.320 -0.011 0.000 0.208 154 K C 1.784 178.359 176.600 -0.042 0.000 1.047 154 K CA 1.433 57.696 56.287 -0.041 0.000 0.928 154 K CB -0.348 32.130 32.500 -0.036 0.000 0.716 154 K HN 0.328 nan 8.250 nan 0.000 0.446 155 I N -0.678 119.868 120.570 -0.041 0.000 2.202 155 I HA -0.287 3.876 4.170 -0.011 0.000 0.242 155 I C 2.300 178.413 176.117 -0.007 0.000 1.091 155 I CA 0.910 62.190 61.300 -0.034 0.000 1.368 155 I CB -0.295 37.675 38.000 -0.050 0.000 1.058 155 I HN 0.277 nan 8.210 nan 0.000 0.410 156 C N 1.068 120.374 119.300 0.011 0.000 2.430 156 C HA -0.106 4.348 4.460 -0.011 0.000 0.288 156 C C 2.504 177.465 174.990 -0.048 0.000 1.448 156 C CA 1.044 60.097 59.018 0.059 0.000 1.784 156 C CB -1.299 26.484 27.740 0.072 0.000 1.776 156 C HN 0.451 nan 8.230 nan 0.000 0.547 157 E N 0.155 120.312 120.200 -0.073 0.000 2.086 157 E HA -0.096 4.248 4.350 -0.011 0.000 0.190 157 E C 1.668 178.219 176.600 -0.080 0.000 0.975 157 E CA 1.124 57.462 56.400 -0.104 0.000 0.813 157 E CB -0.005 29.647 29.700 -0.080 0.000 0.768 157 E HN 0.627 nan 8.360 nan 0.000 0.457 158 D N 0.716 121.086 120.400 -0.050 0.000 2.075 158 D HA -0.061 4.573 4.640 -0.011 0.000 0.196 158 D C 0.955 177.239 176.300 -0.026 0.000 0.985 158 D CA 1.020 54.997 54.000 -0.039 0.000 0.834 158 D CB -0.314 40.466 40.800 -0.035 0.000 0.987 158 D HN -0.089 nan 8.370 nan 0.000 0.452 159 S N 0.739 116.435 115.700 -0.007 0.000 3.149 159 S HA 0.413 4.876 4.470 -0.011 0.000 0.228 159 S C 1.262 175.899 174.600 0.063 0.000 1.393 159 S CA -0.100 58.111 58.200 0.018 0.000 1.224 159 S CB 0.427 63.637 63.200 0.016 0.000 1.112 159 S HN 0.302 nan 8.310 nan 0.000 0.502 160 A N 2.320 125.159 122.820 0.033 0.000 1.930 160 A HA -0.109 4.205 4.320 -0.011 0.000 0.217 160 A C 2.153 179.834 177.584 0.162 0.000 1.175 160 A CA 1.053 53.128 52.037 0.063 0.000 0.627 160 A CB -0.100 18.818 19.000 -0.137 0.000 0.815 160 A HN 0.617 nan 8.150 nan 0.000 0.443 161 E N -0.507 119.741 120.200 0.080 0.000 2.460 161 E HA 0.062 4.406 4.350 -0.011 0.000 0.200 161 E C 1.485 178.118 176.600 0.055 0.000 1.011 161 E CA 0.029 56.473 56.400 0.073 0.000 0.912 161 E CB -0.206 29.517 29.700 0.038 0.000 0.953 161 E HN 0.494 nan 8.360 nan 0.000 0.494 162 I N 1.488 122.088 120.570 0.049 0.000 2.286 162 I HA -0.127 4.037 4.170 -0.011 0.000 0.245 162 I C 2.550 178.687 176.117 0.033 0.000 1.104 162 I CA 0.798 62.117 61.300 0.032 0.000 1.397 162 I CB -0.785 37.227 38.000 0.020 0.000 1.072 162 I HN 0.093 nan 8.210 nan 0.000 0.417 163 L N 0.192 121.447 121.223 0.054 0.000 2.156 163 L HA -0.161 4.173 4.340 -0.011 0.000 0.208 163 L C 1.944 178.818 176.870 0.007 0.000 1.095 163 L CA 1.108 55.968 54.840 0.032 0.000 0.770 163 L CB -0.522 41.571 42.059 0.057 0.000 0.914 163 L HN 0.159 nan 8.230 nan 0.000 0.439 164 D N -0.657 119.766 120.400 0.038 0.000 2.355 164 D HA -0.024 4.609 4.640 -0.011 0.000 0.218 164 D C 1.293 177.599 176.300 0.010 0.000 1.004 164 D CA 0.172 54.180 54.000 0.012 0.000 0.880 164 D CB 0.275 41.110 40.800 0.057 0.000 0.911 164 D HN 0.051 nan 8.370 nan 0.000 0.528 165 S N -0.525 115.185 115.700 0.016 0.000 2.640 165 S HA 0.045 4.508 4.470 -0.011 0.000 0.262 165 S C 0.803 175.403 174.600 0.001 0.000 1.232 165 S CA -0.440 57.766 58.200 0.010 0.000 0.988 165 S CB 0.588 63.797 63.200 0.015 0.000 1.034 165 S HN 0.080 nan 8.310 nan 0.000 0.569 166 D N 0.538 120.939 120.400 0.002 0.000 2.348 166 D HA -0.001 4.633 4.640 -0.011 0.000 0.211 166 D C 1.994 178.295 176.300 0.001 0.000 0.998 166 D CA 0.482 54.481 54.000 -0.001 0.000 0.873 166 D CB -0.511 40.289 40.800 0.001 0.000 0.925 166 D HN 0.270 nan 8.370 nan 0.000 0.524 167 V N 1.124 121.042 119.914 0.005 0.000 2.278 167 V HA -0.212 3.902 4.120 -0.011 0.000 0.251 167 V C 1.841 177.939 176.094 0.006 0.000 1.062 167 V CA 1.214 63.520 62.300 0.009 0.000 1.038 167 V CB -0.306 31.524 31.823 0.013 0.000 0.646 167 V HN 0.245 nan 8.190 nan 0.000 0.447 168 L N 1.117 122.339 121.223 -0.001 0.000 2.872 168 L HA 0.227 4.561 4.340 -0.011 0.000 0.245 168 L C 0.969 177.828 176.870 -0.020 0.000 1.211 168 L CA 1.047 55.881 54.840 -0.010 0.000 1.013 168 L CB -1.319 40.730 42.059 -0.017 0.000 1.326 168 L HN 0.841 nan 8.230 nan 0.000 0.525 169 D N -0.170 120.220 120.400 -0.015 0.000 2.955 169 D HA -0.316 4.317 4.640 -0.011 0.000 0.226 169 D C 0.201 176.481 176.300 -0.033 0.000 1.178 169 D CA 0.828 54.816 54.000 -0.020 0.000 0.808 169 D CB -1.387 39.402 40.800 -0.019 0.000 1.099 169 D HN 0.418 nan 8.370 nan 0.000 0.421 170 R N -2.563 117.914 120.500 -0.038 0.000 2.331 170 R HA -0.114 4.219 4.340 -0.011 0.000 0.335 170 R C -2.230 174.022 176.300 -0.080 0.000 1.089 170 R CA 0.617 56.681 56.100 -0.060 0.000 0.921 170 R CB -0.805 29.460 30.300 -0.059 0.000 2.657 170 R HN 0.360 nan 8.270 nan 0.000 0.496 171 P HA 0.026 nan 4.420 nan 0.000 0.256 171 P C 0.824 178.028 177.300 -0.160 0.000 1.384 171 P CA 0.166 63.199 63.100 -0.113 0.000 0.879 171 P CB 0.305 31.942 31.700 -0.104 0.000 1.403 172 L N -0.471 120.643 121.223 -0.182 0.000 2.156 172 L HA -0.156 4.178 4.340 -0.011 0.000 0.208 172 L C 1.809 178.535 176.870 -0.241 0.000 1.095 172 L CA 1.259 55.941 54.840 -0.264 0.000 0.770 172 L CB -0.954 40.889 42.059 -0.360 0.000 0.914 172 L HN 0.014 nan 8.230 nan 0.000 0.439 173 N N 0.680 119.280 118.700 -0.168 0.000 2.060 173 N HA -0.271 4.463 4.740 -0.011 0.000 0.195 173 N C 1.781 177.207 175.510 -0.140 0.000 1.028 173 N CA 1.493 54.472 53.050 -0.119 0.000 0.861 173 N CB -0.326 38.118 38.487 -0.072 0.000 1.029 173 N HN 0.296 nan 8.380 nan 0.000 0.428 174 I N -0.492 119.982 120.570 -0.160 0.000 3.001 174 I HA -0.049 4.114 4.170 -0.011 0.000 0.268 174 I C 1.137 177.090 176.117 -0.274 0.000 1.267 174 I CA 0.885 62.078 61.300 -0.177 0.000 1.472 174 I CB 0.130 38.035 38.000 -0.157 0.000 1.089 174 I HN 0.186 nan 8.210 nan 0.000 0.468 175 M N -0.819 118.571 119.600 -0.350 0.000 2.491 175 M HA 0.045 4.518 4.480 -0.011 0.000 0.259 175 M C 1.740 177.754 176.300 -0.476 0.000 1.163 175 M CA 0.178 55.132 55.300 -0.576 0.000 1.109 175 M CB 0.418 32.638 32.600 -0.634 0.000 1.353 175 M HN 0.036 nan 8.290 nan 0.000 0.500 176 I N 1.614 121.976 120.570 -0.347 0.000 2.113 176 I HA -0.136 4.027 4.170 -0.011 0.000 0.238 176 I C -0.483 175.386 176.117 -0.414 0.000 1.070 176 I CA 1.714 62.812 61.300 -0.337 0.000 1.332 176 I CB -2.375 35.362 38.000 -0.438 0.000 1.044 176 I HN 0.104 nan 8.210 nan 0.000 0.402 177 P HA -0.170 nan 4.420 nan 0.000 0.217 177 P C 1.700 178.923 177.300 -0.129 0.000 1.151 177 P CA 1.400 64.281 63.100 -0.366 0.000 0.828 177 P CB -0.070 31.520 31.700 -0.182 0.000 0.788 178 K N -0.636 119.670 120.400 -0.157 0.000 2.044 178 K HA -0.139 4.174 4.320 -0.011 0.000 0.210 178 K C 2.075 178.766 176.600 0.152 0.000 1.049 178 K CA 1.416 57.655 56.287 -0.081 0.000 0.927 178 K CB -0.676 31.653 32.500 -0.284 0.000 0.713 178 K HN 0.056 nan 8.250 nan 0.000 0.443 179 F N 0.884 120.898 119.950 0.106 0.000 2.186 179 F HA -0.088 4.432 4.527 -0.011 0.000 0.299 179 F C 2.312 178.330 175.800 0.363 0.000 1.090 179 F CA 0.555 58.724 58.000 0.281 0.000 1.307 179 F CB -0.700 38.426 39.000 0.210 0.000 1.019 179 F HN -0.012 nan 8.300 nan 0.000 0.489 180 L N -0.552 120.798 121.223 0.212 0.000 2.465 180 L HA -0.143 4.190 4.340 -0.011 0.000 0.224 180 L C 2.176 179.044 176.870 -0.004 0.000 1.145 180 L CA 0.803 55.514 54.840 -0.215 0.000 0.834 180 L CB -0.260 41.642 42.059 -0.262 0.000 0.944 180 L HN 0.188 nan 8.230 nan 0.000 0.451 181 Q N -0.964 118.947 119.800 0.185 0.000 2.123 181 Q HA -0.094 4.239 4.340 -0.011 0.000 0.196 181 Q C 1.454 177.573 176.000 0.197 0.000 0.958 181 Q CA 1.079 56.949 55.803 0.111 0.000 0.841 181 Q CB 0.008 28.727 28.738 -0.031 0.000 0.915 181 Q HN 0.448 nan 8.270 nan 0.000 0.455 182 F N -0.295 119.874 119.950 0.365 0.000 2.772 182 F HA -0.050 4.471 4.527 -0.011 0.000 0.301 182 F C 0.922 176.993 175.800 0.451 0.000 1.250 182 F CA 0.541 58.782 58.000 0.402 0.000 1.441 182 F CB -0.293 38.998 39.000 0.485 0.000 1.112 182 F HN 0.044 nan 8.300 nan 0.000 0.563 183 F N -0.133 119.982 119.950 0.276 0.000 2.811 183 F HA 0.036 4.556 4.527 -0.011 0.000 0.301 183 F C 1.445 177.314 175.800 0.116 0.000 1.151 183 F CA 0.529 58.636 58.000 0.178 0.000 1.412 183 F CB -0.019 39.063 39.000 0.136 0.000 1.113 183 F HN -0.120 nan 8.300 nan 0.000 0.579 184 K N -1.410 119.152 120.400 0.270 0.000 2.520 184 K HA 0.046 4.359 4.320 -0.011 0.000 0.206 184 K C 0.159 176.854 176.600 0.159 0.000 1.122 184 K CA -0.167 56.215 56.287 0.158 0.000 1.045 184 K CB 0.291 32.863 32.500 0.120 0.000 0.932 184 K HN 0.146 nan 8.250 nan 0.000 0.571 185 H N 0.665 119.809 119.070 0.124 0.000 2.886 185 H HA 0.024 4.574 4.556 -0.011 0.000 0.329 185 H C 1.035 176.414 175.328 0.086 0.000 1.044 185 H CA 0.377 56.505 56.048 0.133 0.000 1.456 185 H CB 1.498 31.438 29.762 0.297 0.000 1.464 185 H HN 0.029 nan 8.280 nan 0.000 0.573 186 S N 3.045 118.512 115.700 -0.389 0.000 2.387 186 S HA -0.176 4.288 4.470 -0.011 0.000 0.230 186 S C 1.060 175.410 174.600 -0.417 0.000 1.035 186 S CA 1.207 59.205 58.200 -0.338 0.000 1.014 186 S CB -0.141 62.925 63.200 -0.224 0.000 0.836 186 S HN 0.626 nan 8.310 nan 0.000 0.466 187 S N 1.304 116.560 115.700 -0.739 0.000 2.528 187 S HA 0.271 4.734 4.470 -0.011 0.000 0.277 187 S C -1.248 173.249 174.600 -0.171 0.000 1.297 187 S CA -1.544 56.441 58.200 -0.358 0.000 1.052 187 S CB 1.192 64.274 63.200 -0.197 0.000 0.917 187 S HN 0.289 nan 8.310 nan 0.000 0.492 188 P HA -0.102 nan 4.420 nan 0.000 0.215 188 P C 1.300 178.536 177.300 -0.106 0.000 1.157 188 P CA 0.974 64.012 63.100 -0.102 0.000 0.859 188 P CB 0.086 31.729 31.700 -0.094 0.000 0.786 189 K N 0.052 120.402 120.400 -0.083 0.000 2.034 189 K HA -0.167 4.146 4.320 -0.011 0.000 0.214 189 K C 2.277 178.736 176.600 -0.235 0.000 1.051 189 K CA 1.727 57.919 56.287 -0.159 0.000 0.931 189 K CB -0.624 31.855 32.500 -0.034 0.000 0.715 189 K HN 0.029 nan 8.250 nan 0.000 0.446 190 I N 0.402 120.968 120.570 -0.008 0.000 2.252 190 I HA -0.270 3.893 4.170 -0.011 0.000 0.245 190 I C 2.523 178.574 176.117 -0.111 0.000 1.102 190 I CA 1.082 62.384 61.300 0.004 0.000 1.385 190 I CB -0.263 37.973 38.000 0.394 0.000 1.064 190 I HN 0.232 nan 8.210 nan 0.000 0.414 191 R N 0.204 120.697 120.500 -0.012 0.000 2.119 191 R HA -0.232 4.101 4.340 -0.011 0.000 0.246 191 R C 2.546 178.677 176.300 -0.281 0.000 1.146 191 R CA 2.020 58.055 56.100 -0.108 0.000 0.962 191 R CB -0.556 29.678 30.300 -0.110 0.000 0.863 191 R HN 0.353 nan 8.270 nan 0.000 0.442 192 S N -0.134 115.403 115.700 -0.271 0.000 2.343 192 S HA -0.200 4.263 4.470 -0.011 0.000 0.219 192 S C 1.697 176.119 174.600 -0.296 0.000 1.033 192 S CA 1.363 59.390 58.200 -0.288 0.000 1.014 192 S CB -0.326 62.708 63.200 -0.277 0.000 0.915 192 S HN 0.487 nan 8.310 nan 0.000 0.435 193 H N 0.556 119.377 119.070 -0.414 0.000 2.394 193 H HA -0.130 4.419 4.556 -0.011 0.000 0.297 193 H C 2.411 177.337 175.328 -0.670 0.000 1.113 193 H CA 1.334 57.011 56.048 -0.619 0.000 1.277 193 H CB -0.242 28.908 29.762 -1.019 0.000 1.370 193 H HN 0.565 nan 8.280 nan 0.000 0.506 194 A N 0.138 122.665 122.820 -0.488 0.000 1.841 194 A HA -0.130 4.183 4.320 -0.011 0.000 0.214 194 A C 2.527 180.232 177.584 0.201 0.000 1.195 194 A CA 1.459 53.541 52.037 0.075 0.000 0.611 194 A CB -0.987 18.249 19.000 0.394 0.000 0.835 194 A HN 0.322 nan 8.150 nan 0.000 0.443 195 V N -0.084 119.736 119.914 -0.158 0.000 2.490 195 V HA -0.114 3.999 4.120 -0.011 0.000 0.250 195 V C 2.664 178.816 176.094 0.097 0.000 1.061 195 V CA 2.119 64.402 62.300 -0.028 0.000 1.064 195 V CB -0.779 30.789 31.823 -0.425 0.000 0.670 195 V HN 0.605 nan 8.190 nan 0.000 0.461 196 A N -0.891 121.913 122.820 -0.027 0.000 1.865 196 A HA -0.264 4.049 4.320 -0.011 0.000 0.217 196 A C 2.390 179.949 177.584 -0.042 0.000 1.191 196 A CA 2.283 54.299 52.037 -0.035 0.000 0.623 196 A CB -1.423 17.543 19.000 -0.057 0.000 0.826 196 A HN 0.643 nan 8.150 nan 0.000 0.444 197 C N -1.087 118.163 119.300 -0.082 0.000 2.413 197 C HA -0.107 4.347 4.460 -0.011 0.000 0.278 197 C C 2.655 177.657 174.990 0.021 0.000 1.224 197 C CA 1.316 60.224 59.018 -0.184 0.000 1.732 197 C CB -1.205 26.097 27.740 -0.729 0.000 2.050 197 C HN 0.478 nan 8.230 nan 0.000 0.463 198 V N 1.863 121.877 119.914 0.168 0.000 3.241 198 V HA -0.119 3.994 4.120 -0.011 0.000 0.269 198 V C 1.771 177.951 176.094 0.144 0.000 1.151 198 V CA 1.575 64.030 62.300 0.258 0.000 1.158 198 V CB -0.989 31.010 31.823 0.293 0.000 0.764 198 V HN 0.524 nan 8.190 nan 0.000 0.508 199 N N 0.238 118.998 118.700 0.101 0.000 2.207 199 N HA -0.096 4.637 4.740 -0.011 0.000 0.182 199 N C 1.882 177.306 175.510 -0.144 0.000 1.020 199 N CA 0.753 53.827 53.050 0.041 0.000 0.858 199 N CB -0.345 38.171 38.487 0.048 0.000 0.991 199 N HN 0.363 nan 8.380 nan 0.000 0.427 200 Q N -0.342 119.221 119.800 -0.396 0.000 2.290 200 Q HA -0.133 4.200 4.340 -0.011 0.000 0.211 200 Q C 0.426 176.005 176.000 -0.702 0.000 0.991 200 Q CA 1.154 56.524 55.803 -0.722 0.000 0.893 200 Q CB -0.366 27.591 28.738 -1.301 0.000 0.913 200 Q HN 0.479 nan 8.270 nan 0.000 0.428 201 F N -1.462 118.453 119.950 -0.058 0.000 2.668 201 F HA 0.267 4.788 4.527 -0.011 0.000 0.301 201 F C 1.580 177.325 175.800 -0.091 0.000 1.106 201 F CA -0.399 57.557 58.000 -0.074 0.000 1.289 201 F CB -0.052 38.894 39.000 -0.089 0.000 1.006 201 F HN -0.077 nan 8.300 nan 0.000 0.535 202 I N -0.284 120.296 120.570 0.017 0.000 2.429 202 I HA -0.155 4.009 4.170 -0.011 0.000 0.247 202 I C 1.914 178.048 176.117 0.028 0.000 1.099 202 I CA 0.988 62.302 61.300 0.023 0.000 1.422 202 I CB -0.072 37.963 38.000 0.058 0.000 1.112 202 I HN 0.027 nan 8.210 nan 0.000 0.430 203 I N 0.245 120.820 120.570 0.008 0.000 2.339 203 I HA -0.127 4.036 4.170 -0.011 0.000 0.245 203 I C 2.309 178.433 176.117 0.011 0.000 1.096 203 I CA 0.955 62.257 61.300 0.004 0.000 1.408 203 I CB -1.239 36.752 38.000 -0.015 0.000 1.092 203 I HN 0.063 nan 8.210 nan 0.000 0.423 204 S N 2.818 118.526 115.700 0.014 0.000 2.693 204 S HA -0.130 4.334 4.470 -0.011 0.000 0.243 204 S C 0.915 175.548 174.600 0.054 0.000 0.973 204 S CA -0.080 58.143 58.200 0.038 0.000 0.969 204 S CB -1.420 61.818 63.200 0.064 0.000 0.771 204 S HN 0.599 nan 8.310 nan 0.000 0.542 205 R N 1.078 121.604 120.500 0.043 0.000 2.333 205 R HA -0.183 4.150 4.340 -0.011 0.000 0.213 205 R C -0.281 176.041 176.300 0.037 0.000 0.711 205 R CA 0.926 57.048 56.100 0.037 0.000 0.476 205 R CB -2.814 27.501 30.300 0.026 0.000 1.300 205 R HN 0.545 nan 8.270 nan 0.000 0.536 206 T N -2.443 112.145 114.554 0.056 0.000 2.918 206 T HA 0.047 4.390 4.350 -0.011 0.000 0.302 206 T C 1.171 175.868 174.700 -0.004 0.000 1.045 206 T CA -0.430 61.691 62.100 0.036 0.000 1.114 206 T CB 1.873 70.775 68.868 0.057 0.000 0.965 206 T HN 0.505 nan 8.240 nan 0.000 0.540 207 Q N 1.395 121.185 119.800 -0.017 0.000 2.083 207 Q HA -0.037 4.297 4.340 -0.011 0.000 0.198 207 Q C 2.676 178.661 176.000 -0.025 0.000 0.969 207 Q CA 1.253 57.044 55.803 -0.018 0.000 0.838 207 Q CB -0.489 28.238 28.738 -0.019 0.000 0.900 207 Q HN 0.974 nan 8.270 nan 0.000 0.436 208 A N 0.684 123.469 122.820 -0.059 0.000 2.076 208 A HA -0.176 4.137 4.320 -0.011 0.000 0.220 208 A C 1.889 179.460 177.584 -0.022 0.000 1.160 208 A CA 1.051 53.049 52.037 -0.065 0.000 0.653 208 A CB -0.403 18.501 19.000 -0.159 0.000 0.801 208 A HN 0.406 nan 8.150 nan 0.000 0.455 209 L N -1.889 119.301 121.223 -0.054 0.000 2.286 209 L HA 0.036 4.369 4.340 -0.011 0.000 0.203 209 L C 2.031 178.912 176.870 0.017 0.000 1.068 209 L CA 0.414 55.223 54.840 -0.051 0.000 0.811 209 L CB -0.127 41.848 42.059 -0.141 0.000 0.989 209 L HN 0.195 nan 8.230 nan 0.000 0.467 210 M N -0.093 119.510 119.600 0.005 0.000 2.521 210 M HA -0.244 4.230 4.480 -0.011 0.000 0.260 210 M C 2.024 178.331 176.300 0.011 0.000 1.068 210 M CA 1.490 56.798 55.300 0.013 0.000 1.060 210 M CB -1.144 31.460 32.600 0.007 0.000 1.398 210 M HN 0.345 nan 8.290 nan 0.000 0.473 211 L N -1.191 120.043 121.223 0.018 0.000 2.102 211 L HA -0.144 4.190 4.340 -0.011 0.000 0.202 211 L C 1.259 178.036 176.870 -0.154 0.000 1.076 211 L CA 1.086 55.883 54.840 -0.072 0.000 0.761 211 L CB -0.151 41.854 42.059 -0.090 0.000 0.921 211 L HN 0.305 nan 8.230 nan 0.000 0.444 212 H N -1.331 117.718 119.070 -0.035 0.000 2.538 212 H HA 0.108 4.657 4.556 -0.011 0.000 0.286 212 H C 0.677 176.024 175.328 0.031 0.000 1.035 212 H CA -0.145 55.894 56.048 -0.016 0.000 1.169 212 H CB 0.141 29.877 29.762 -0.044 0.000 1.417 212 H HN 0.120 nan 8.280 nan 0.000 0.567 213 I N 0.850 121.485 120.570 0.109 0.000 3.496 213 I HA -0.071 4.092 4.170 -0.011 0.000 0.301 213 I C 0.079 176.272 176.117 0.128 0.000 1.217 213 I CA 0.803 62.182 61.300 0.132 0.000 1.258 213 I CB -0.348 37.703 38.000 0.085 0.000 1.047 213 I HN 0.269 nan 8.210 nan 0.000 0.502 214 D N -1.719 118.751 120.400 0.118 0.000 2.001 214 D HA 0.026 4.660 4.640 -0.011 0.000 0.348 214 D C 1.948 178.286 176.300 0.064 0.000 1.074 214 D CA 1.039 55.089 54.000 0.084 0.000 0.928 214 D CB 0.236 41.072 40.800 0.061 0.000 1.823 214 D HN 0.367 nan 8.370 nan 0.000 0.540 215 S N -0.022 115.724 115.700 0.076 0.000 2.461 215 S HA -0.002 4.461 4.470 -0.011 0.000 0.228 215 S C 1.855 176.481 174.600 0.043 0.000 1.005 215 S CA 0.080 58.314 58.200 0.056 0.000 0.942 215 S CB -0.397 62.846 63.200 0.072 0.000 0.776 215 S HN 0.243 nan 8.310 nan 0.000 0.514 216 F N 2.772 122.671 119.950 -0.085 0.000 2.149 216 F HA 0.074 4.594 4.527 -0.011 0.000 0.294 216 F C 2.009 177.705 175.800 -0.174 0.000 1.095 216 F CA 1.039 58.946 58.000 -0.154 0.000 1.276 216 F CB -0.086 38.852 39.000 -0.104 0.000 1.023 216 F HN 0.050 nan 8.300 nan 0.000 0.480 217 I N 0.727 121.173 120.570 -0.206 0.000 2.163 217 I HA -0.298 3.866 4.170 -0.011 0.000 0.243 217 I C 2.370 178.037 176.117 -0.750 0.000 1.085 217 I CA 1.854 62.869 61.300 -0.475 0.000 1.347 217 I CB -1.637 36.269 38.000 -0.157 0.000 1.044 217 I HN 0.372 nan 8.210 nan 0.000 0.408 218 E N 1.126 121.148 120.200 -0.297 0.000 2.072 218 E HA -0.235 4.109 4.350 -0.011 0.000 0.191 218 E C 1.944 178.471 176.600 -0.122 0.000 0.985 218 E CA 0.882 57.231 56.400 -0.086 0.000 0.801 218 E CB -0.053 29.673 29.700 0.042 0.000 0.750 218 E HN 0.319 nan 8.360 nan 0.000 0.452 219 N N 0.522 119.141 118.700 -0.135 0.000 2.520 219 N HA -0.118 4.615 4.740 -0.011 0.000 0.185 219 N C 1.632 177.127 175.510 -0.025 0.000 1.068 219 N CA 0.329 53.361 53.050 -0.030 0.000 0.911 219 N CB 0.025 38.506 38.487 -0.011 0.000 0.961 219 N HN 0.173 nan 8.380 nan 0.000 0.446 220 L N -0.441 120.589 121.223 -0.321 0.000 2.084 220 L HA 0.077 4.411 4.340 -0.011 0.000 0.202 220 L C 1.603 178.288 176.870 -0.308 0.000 1.074 220 L CA 1.077 55.683 54.840 -0.391 0.000 0.757 220 L CB -0.764 40.845 42.059 -0.751 0.000 0.918 220 L HN -0.031 nan 8.230 nan 0.000 0.444 221 F N 0.143 119.969 119.950 -0.207 0.000 2.147 221 F HA -0.264 4.256 4.527 -0.011 0.000 0.301 221 F C 2.504 178.210 175.800 -0.157 0.000 1.084 221 F CA 1.002 58.866 58.000 -0.226 0.000 1.268 221 F CB -1.677 37.188 39.000 -0.226 0.000 1.009 221 F HN 0.145 nan 8.300 nan 0.000 0.486 222 A N -0.350 122.511 122.820 0.068 0.000 2.186 222 A HA -0.064 4.249 4.320 -0.011 0.000 0.219 222 A C 1.934 179.526 177.584 0.012 0.000 1.159 222 A CA 1.298 53.361 52.037 0.043 0.000 0.680 222 A CB -0.919 18.112 19.000 0.052 0.000 0.787 222 A HN 0.486 nan 8.150 nan 0.000 0.467 223 L N -2.257 118.954 121.223 -0.020 0.000 2.858 223 L HA 0.248 4.581 4.340 -0.011 0.000 0.251 223 L C 2.420 179.270 176.870 -0.034 0.000 1.149 223 L CA 0.353 55.169 54.840 -0.040 0.000 0.955 223 L CB -0.112 41.895 42.059 -0.085 0.000 1.289 223 L HN 0.285 nan 8.230 nan 0.000 0.542 224 A N 1.131 123.917 122.820 -0.056 0.000 1.870 224 A HA -0.230 4.084 4.320 -0.011 0.000 0.219 224 A C 1.970 179.628 177.584 0.124 0.000 1.224 224 A CA 2.163 54.146 52.037 -0.090 0.000 0.650 224 A CB -1.267 17.603 19.000 -0.216 0.000 0.836 224 A HN 0.414 nan 8.150 nan 0.000 0.454 225 G N -0.449 108.400 108.800 0.082 0.000 3.374 225 G HA2 0.274 4.227 3.960 -0.011 0.000 0.252 225 G HA3 0.274 4.227 3.960 -0.011 0.000 0.252 225 G C -0.111 174.817 174.900 0.046 0.000 1.326 225 G CA 0.218 45.371 45.100 0.090 0.000 1.133 225 G HN 0.457 nan 8.290 nan 0.000 0.528 226 D N 0.910 121.332 120.400 0.035 0.000 2.350 226 D HA 0.032 4.665 4.640 -0.011 0.000 0.249 226 D C 1.605 177.905 176.300 -0.000 0.000 1.119 226 D CA -0.250 53.751 54.000 0.001 0.000 0.886 226 D CB 1.135 41.921 40.800 -0.024 0.000 1.195 226 D HN 0.533 nan 8.370 nan 0.000 0.437 227 E N 2.305 122.497 120.200 -0.014 0.000 2.158 227 E HA -0.152 4.191 4.350 -0.011 0.000 0.191 227 E C 0.322 176.904 176.600 -0.029 0.000 0.982 227 E CA 0.094 56.482 56.400 -0.019 0.000 0.823 227 E CB -0.024 29.663 29.700 -0.021 0.000 0.766 227 E HN 0.300 nan 8.360 nan 0.000 0.468 228 E N 2.784 122.960 120.200 -0.039 0.000 2.383 228 E HA 0.009 4.353 4.350 -0.011 0.000 0.257 228 E C -1.878 174.693 176.600 -0.049 0.000 1.079 228 E CA -1.829 54.541 56.400 -0.050 0.000 0.934 228 E CB 1.138 30.799 29.700 -0.065 0.000 0.978 228 E HN -0.134 nan 8.360 nan 0.000 0.462 229 P HA -0.232 nan 4.420 nan 0.000 0.214 229 P C 0.731 178.001 177.300 -0.051 0.000 1.169 229 P CA 1.346 64.420 63.100 -0.043 0.000 0.908 229 P CB 0.162 31.838 31.700 -0.040 0.000 0.791 230 E N -0.580 119.582 120.200 -0.064 0.000 2.136 230 E HA -0.168 4.175 4.350 -0.011 0.000 0.202 230 E C 2.071 178.617 176.600 -0.090 0.000 1.019 230 E CA 1.182 57.535 56.400 -0.080 0.000 0.819 230 E CB -1.255 28.382 29.700 -0.105 0.000 0.739 230 E HN 0.136 nan 8.360 nan 0.000 0.458 231 V N 0.663 120.519 119.914 -0.096 0.000 2.283 231 V HA -0.185 3.928 4.120 -0.011 0.000 0.243 231 V C 2.568 178.618 176.094 -0.073 0.000 1.039 231 V CA 1.761 63.995 62.300 -0.111 0.000 1.016 231 V CB -0.441 31.310 31.823 -0.120 0.000 0.650 231 V HN 0.142 nan 8.190 nan 0.000 0.449 232 R N 0.014 120.490 120.500 -0.039 0.000 2.159 232 R HA -0.200 4.133 4.340 -0.011 0.000 0.237 232 R C 2.332 178.634 176.300 0.004 0.000 1.131 232 R CA 1.646 57.751 56.100 0.008 0.000 0.982 232 R CB -0.231 30.077 30.300 0.013 0.000 0.868 232 R HN 0.479 nan 8.270 nan 0.000 0.453 233 K N 0.271 120.658 120.400 -0.022 0.000 1.977 233 K HA -0.195 4.118 4.320 -0.011 0.000 0.218 233 K C 1.644 178.236 176.600 -0.013 0.000 1.051 233 K CA 1.968 58.244 56.287 -0.018 0.000 0.953 233 K CB -0.151 32.332 32.500 -0.028 0.000 0.727 233 K HN 0.168 nan 8.250 nan 0.000 0.445 234 N N 0.572 119.251 118.700 -0.034 0.000 2.104 234 N HA -0.160 4.573 4.740 -0.011 0.000 0.190 234 N C 1.892 177.391 175.510 -0.019 0.000 1.024 234 N CA 1.259 54.291 53.050 -0.030 0.000 0.853 234 N CB -0.483 37.964 38.487 -0.066 0.000 1.008 234 N HN 0.047 nan 8.380 nan 0.000 0.424 235 V N 0.866 120.755 119.914 -0.041 0.000 2.324 235 V HA -0.303 3.810 4.120 -0.011 0.000 0.250 235 V C 2.534 178.618 176.094 -0.018 0.000 1.060 235 V CA 1.389 63.658 62.300 -0.053 0.000 1.042 235 V CB -0.589 31.207 31.823 -0.045 0.000 0.650 235 V HN 0.383 nan 8.190 nan 0.000 0.450 236 C N -0.767 118.546 119.300 0.023 0.000 2.476 236 C HA -0.078 4.375 4.460 -0.011 0.000 0.278 236 C C 2.854 177.859 174.990 0.025 0.000 1.274 236 C CA 0.605 59.635 59.018 0.021 0.000 1.713 236 C CB -1.060 26.688 27.740 0.013 0.000 2.039 236 C HN 0.508 nan 8.230 nan 0.000 0.484 237 R N 1.288 121.808 120.500 0.033 0.000 2.103 237 R HA -0.197 4.136 4.340 -0.011 0.000 0.234 237 R C 2.407 178.747 176.300 0.067 0.000 1.132 237 R CA 1.962 58.091 56.100 0.049 0.000 0.925 237 R CB -0.848 29.474 30.300 0.037 0.000 0.842 237 R HN 0.543 nan 8.270 nan 0.000 0.430 238 A N 1.168 124.034 122.820 0.077 0.000 1.940 238 A HA -0.159 4.155 4.320 -0.011 0.000 0.219 238 A C 2.234 179.869 177.584 0.085 0.000 1.176 238 A CA 1.195 53.310 52.037 0.130 0.000 0.631 238 A CB -0.570 18.543 19.000 0.188 0.000 0.814 238 A HN 0.273 nan 8.150 nan 0.000 0.446 239 L N -0.582 120.654 121.223 0.021 0.000 2.056 239 L HA -0.154 4.179 4.340 -0.011 0.000 0.207 239 L C 2.547 179.484 176.870 0.112 0.000 1.078 239 L CA 1.215 56.058 54.840 0.004 0.000 0.749 239 L CB -0.241 41.776 42.059 -0.071 0.000 0.901 239 L HN 0.287 nan 8.230 nan 0.000 0.433 240 V N -0.325 119.676 119.914 0.145 0.000 2.237 240 V HA -0.368 3.746 4.120 -0.011 0.000 0.245 240 V C 2.472 178.655 176.094 0.148 0.000 1.046 240 V CA 2.116 64.567 62.300 0.251 0.000 1.007 240 V CB -0.452 31.489 31.823 0.197 0.000 0.638 240 V HN 0.390 nan 8.190 nan 0.000 0.445 241 M N -0.799 118.864 119.600 0.105 0.000 2.088 241 M HA -0.269 4.204 4.480 -0.011 0.000 0.256 241 M C 2.188 178.540 176.300 0.085 0.000 1.071 241 M CA 1.942 57.289 55.300 0.079 0.000 1.097 241 M CB -0.686 31.961 32.600 0.077 0.000 1.315 241 M HN 0.264 nan 8.290 nan 0.000 0.406 242 L N 0.121 121.412 121.223 0.113 0.000 2.270 242 L HA -0.211 4.123 4.340 -0.011 0.000 0.217 242 L C 2.146 179.073 176.870 0.096 0.000 1.107 242 L CA 1.306 56.216 54.840 0.117 0.000 0.772 242 L CB -0.892 41.244 42.059 0.128 0.000 0.902 242 L HN 0.362 nan 8.230 nan 0.000 0.439 243 L N -0.969 120.308 121.223 0.091 0.000 2.156 243 L HA -0.149 4.185 4.340 -0.011 0.000 0.208 243 L C 2.288 179.168 176.870 0.017 0.000 1.095 243 L CA 1.486 56.358 54.840 0.055 0.000 0.770 243 L CB -0.397 41.672 42.059 0.017 0.000 0.914 243 L HN 0.414 nan 8.230 nan 0.000 0.439 244 E N -1.158 119.052 120.200 0.017 0.000 2.033 244 E HA -0.119 4.224 4.350 -0.011 0.000 0.189 244 E C 1.936 178.545 176.600 0.016 0.000 0.979 244 E CA 0.857 57.260 56.400 0.005 0.000 0.802 244 E CB 0.111 29.812 29.700 0.001 0.000 0.763 244 E HN 0.223 nan 8.360 nan 0.000 0.449 245 V N 1.125 121.057 119.914 0.031 0.000 2.277 245 V HA -0.114 3.999 4.120 -0.011 0.000 0.203 245 V C 1.131 177.249 176.094 0.041 0.000 0.984 245 V CA 0.935 63.257 62.300 0.036 0.000 1.076 245 V CB -0.238 31.613 31.823 0.046 0.000 0.681 245 V HN 0.166 nan 8.190 nan 0.000 0.468 246 R N 1.236 121.771 120.500 0.058 0.000 4.138 246 R HA 0.209 4.543 4.340 -0.011 0.000 0.206 246 R C 1.127 177.469 176.300 0.070 0.000 1.667 246 R CA -0.152 55.986 56.100 0.062 0.000 1.481 246 R CB -0.270 30.076 30.300 0.075 0.000 1.388 246 R HN 0.479 nan 8.270 nan 0.000 0.776 247 M N 1.669 121.301 119.600 0.054 0.000 2.213 247 M HA -0.181 4.292 4.480 -0.011 0.000 0.263 247 M C 1.232 177.567 176.300 0.058 0.000 1.062 247 M CA 1.834 57.166 55.300 0.053 0.000 1.105 247 M CB -0.300 32.317 32.600 0.028 0.000 1.385 247 M HN 0.385 nan 8.290 nan 0.000 0.417 248 D N -0.675 119.754 120.400 0.050 0.000 2.182 248 D HA -0.235 4.399 4.640 -0.011 0.000 0.201 248 D C 1.412 177.752 176.300 0.066 0.000 0.986 248 D CA 0.941 54.968 54.000 0.046 0.000 0.847 248 D CB -0.684 40.138 40.800 0.037 0.000 0.942 248 D HN 0.271 nan 8.370 nan 0.000 0.467 249 R N -0.366 120.190 120.500 0.094 0.000 2.323 249 R HA 0.151 4.485 4.340 -0.011 0.000 0.198 249 R C 1.127 177.557 176.300 0.216 0.000 0.988 249 R CA 0.092 56.276 56.100 0.140 0.000 1.041 249 R CB -0.003 30.377 30.300 0.135 0.000 0.926 249 R HN 0.307 nan 8.270 nan 0.000 0.476 250 L N -1.479 119.849 121.223 0.176 0.000 2.854 250 L HA 0.074 4.408 4.340 -0.011 0.000 0.249 250 L C 1.759 178.708 176.870 0.131 0.000 1.091 250 L CA 0.141 55.117 54.840 0.226 0.000 0.935 250 L CB -0.313 41.859 42.059 0.190 0.000 1.367 250 L HN -0.017 nan 8.230 nan 0.000 0.524 251 L N 1.979 123.240 121.223 0.064 0.000 2.034 251 L HA -0.192 4.142 4.340 -0.011 0.000 0.217 251 L C -0.233 176.619 176.870 -0.030 0.000 1.077 251 L CA 2.688 57.538 54.840 0.017 0.000 0.769 251 L CB -1.687 40.377 42.059 0.008 0.000 0.890 251 L HN 0.209 nan 8.230 nan 0.000 0.435 252 P HA -0.175 nan 4.420 nan 0.000 0.214 252 P C 1.141 178.284 177.300 -0.262 0.000 1.163 252 P CA 1.581 64.519 63.100 -0.269 0.000 0.883 252 P CB -0.477 30.907 31.700 -0.527 0.000 0.788 253 H N -1.712 117.370 119.070 0.021 0.000 2.539 253 H HA 0.208 4.757 4.556 -0.011 0.000 0.267 253 H C 2.001 177.328 175.328 -0.001 0.000 0.982 253 H CA 0.114 56.134 56.048 -0.047 0.000 1.146 253 H CB -0.331 29.319 29.762 -0.187 0.000 1.382 253 H HN 0.178 nan 8.280 nan 0.000 0.577 254 M N 0.386 120.049 119.600 0.105 0.000 2.149 254 M HA -0.201 4.273 4.480 -0.011 0.000 0.261 254 M C 1.980 178.322 176.300 0.069 0.000 1.064 254 M CA 1.515 56.865 55.300 0.083 0.000 1.102 254 M CB -0.167 32.447 32.600 0.023 0.000 1.369 254 M HN 0.306 nan 8.290 nan 0.000 0.408 255 H N 0.421 119.550 119.070 0.100 0.000 2.387 255 H HA -0.093 4.456 4.556 -0.011 0.000 0.299 255 H C 1.669 177.076 175.328 0.132 0.000 1.090 255 H CA 1.501 57.633 56.048 0.140 0.000 1.332 255 H CB -0.367 29.480 29.762 0.143 0.000 1.386 255 H HN 0.467 nan 8.280 nan 0.000 0.516 256 N N 0.481 119.298 118.700 0.196 0.000 2.289 256 N HA -0.113 4.620 4.740 -0.011 0.000 0.184 256 N C 1.872 177.447 175.510 0.108 0.000 1.016 256 N CA 0.669 53.783 53.050 0.107 0.000 0.872 256 N CB 0.006 38.484 38.487 -0.016 0.000 0.973 256 N HN 0.342 nan 8.380 nan 0.000 0.433 257 I N 0.328 120.952 120.570 0.090 0.000 2.429 257 I HA -0.067 4.097 4.170 -0.011 0.000 0.247 257 I C 2.314 178.449 176.117 0.030 0.000 1.099 257 I CA 0.621 61.950 61.300 0.049 0.000 1.422 257 I CB -1.566 36.441 38.000 0.012 0.000 1.112 257 I HN -0.067 nan 8.210 nan 0.000 0.430 258 V N -0.447 119.505 119.914 0.063 0.000 2.828 258 V HA -0.186 3.928 4.120 -0.011 0.000 0.260 258 V C 2.256 178.480 176.094 0.216 0.000 1.101 258 V CA 1.868 64.216 62.300 0.080 0.000 1.123 258 V CB -0.931 30.837 31.823 -0.091 0.000 0.704 258 V HN 0.271 nan 8.190 nan 0.000 0.493 259 E N 0.045 120.397 120.200 0.254 0.000 2.075 259 E HA -0.042 4.302 4.350 -0.011 0.000 0.190 259 E C 1.931 178.653 176.600 0.203 0.000 0.969 259 E CA 1.165 57.734 56.400 0.283 0.000 0.815 259 E CB -0.564 29.298 29.700 0.270 0.000 0.776 259 E HN 0.729 nan 8.360 nan 0.000 0.457 260 Y N 0.123 120.446 120.300 0.038 0.000 2.165 260 Y HA -0.248 4.295 4.550 -0.011 0.000 0.286 260 Y C 1.838 177.709 175.900 -0.049 0.000 1.155 260 Y CA 1.872 59.963 58.100 -0.015 0.000 1.164 260 Y CB -0.044 38.384 38.460 -0.053 0.000 0.978 260 Y HN 0.057 nan 8.280 nan 0.000 0.513 261 M N -0.186 119.353 119.600 -0.101 0.000 2.132 261 M HA -0.173 4.300 4.480 -0.011 0.000 0.263 261 M C 2.365 178.745 176.300 0.132 0.000 1.065 261 M CA 1.289 56.429 55.300 -0.268 0.000 1.122 261 M CB -1.309 30.804 32.600 -0.812 0.000 1.365 261 M HN 0.478 nan 8.290 nan 0.000 0.411 262 L N 0.025 121.491 121.223 0.406 0.000 2.042 262 L HA -0.291 4.042 4.340 -0.011 0.000 0.210 262 L C 2.729 179.704 176.870 0.175 0.000 1.076 262 L CA 1.593 56.718 54.840 0.477 0.000 0.749 262 L CB -0.341 41.939 42.059 0.368 0.000 0.893 262 L HN 0.437 nan 8.230 nan 0.000 0.432 263 Q N -0.355 119.478 119.800 0.055 0.000 2.016 263 Q HA -0.289 4.045 4.340 -0.011 0.000 0.200 263 Q C 2.279 178.222 176.000 -0.095 0.000 0.978 263 Q CA 1.517 57.298 55.803 -0.036 0.000 0.833 263 Q CB -0.046 28.647 28.738 -0.075 0.000 0.895 263 Q HN 0.253 nan 8.270 nan 0.000 0.427 264 R N 0.020 120.384 120.500 -0.228 0.000 2.154 264 R HA -0.121 4.212 4.340 -0.011 0.000 0.248 264 R C 2.190 178.449 176.300 -0.069 0.000 1.155 264 R CA 2.044 57.997 56.100 -0.245 0.000 0.979 264 R CB -0.801 29.242 30.300 -0.428 0.000 0.869 264 R HN 0.373 nan 8.270 nan 0.000 0.452 265 T N 0.060 114.647 114.554 0.054 0.000 2.803 265 T HA -0.173 4.171 4.350 -0.011 0.000 0.269 265 T C 1.378 176.094 174.700 0.026 0.000 1.052 265 T CA 1.513 63.687 62.100 0.123 0.000 1.136 265 T CB -0.133 68.880 68.868 0.242 0.000 0.864 265 T HN 0.368 nan 8.240 nan 0.000 0.467 266 Q N 0.433 120.229 119.800 -0.007 0.000 2.360 266 Q HA 0.145 4.478 4.340 -0.011 0.000 0.202 266 Q C 0.416 176.392 176.000 -0.039 0.000 0.915 266 Q CA -0.234 55.552 55.803 -0.028 0.000 0.943 266 Q CB 0.113 28.832 28.738 -0.031 0.000 1.064 266 Q HN 0.504 nan 8.270 nan 0.000 0.511 267 D N 0.866 121.236 120.400 -0.050 0.000 2.601 267 D HA -0.178 4.456 4.640 -0.011 0.000 0.229 267 D C 1.266 177.539 176.300 -0.044 0.000 1.140 267 D CA 0.477 54.443 54.000 -0.057 0.000 0.862 267 D CB 0.816 41.573 40.800 -0.072 0.000 1.192 267 D HN 0.213 nan 8.370 nan 0.000 0.480 268 Q N 1.996 121.772 119.800 -0.041 0.000 2.118 268 Q HA -0.297 4.037 4.340 -0.011 0.000 0.211 268 Q C 0.344 176.324 176.000 -0.033 0.000 0.998 268 Q CA 1.483 57.266 55.803 -0.035 0.000 0.872 268 Q CB -0.400 28.319 28.738 -0.032 0.000 0.925 268 Q HN 0.578 nan 8.270 nan 0.000 0.414 269 D N 0.671 121.051 120.400 -0.034 0.000 2.308 269 D HA 0.045 4.679 4.640 -0.011 0.000 0.251 269 D C 0.189 176.471 176.300 -0.030 0.000 1.127 269 D CA -0.042 53.939 54.000 -0.031 0.000 0.876 269 D CB 1.228 42.010 40.800 -0.031 0.000 1.176 269 D HN 0.188 nan 8.370 nan 0.000 0.446 270 E N 2.198 122.381 120.200 -0.029 0.000 2.118 270 E HA -0.199 4.144 4.350 -0.011 0.000 0.195 270 E C 1.347 177.931 176.600 -0.026 0.000 0.992 270 E CA 1.202 57.583 56.400 -0.031 0.000 0.804 270 E CB -0.069 29.612 29.700 -0.032 0.000 0.741 270 E HN 0.579 nan 8.360 nan 0.000 0.458 271 N N 0.274 118.962 118.700 -0.019 0.000 2.084 271 N HA -0.152 4.581 4.740 -0.011 0.000 0.190 271 N C 1.900 177.407 175.510 -0.005 0.000 1.030 271 N CA 1.307 54.352 53.050 -0.008 0.000 0.849 271 N CB -0.028 38.456 38.487 -0.006 0.000 1.012 271 N HN -0.049 nan 8.380 nan 0.000 0.423 272 V N 1.697 121.601 119.914 -0.016 0.000 2.287 272 V HA -0.262 3.852 4.120 -0.011 0.000 0.248 272 V C 2.491 178.576 176.094 -0.016 0.000 1.053 272 V CA 1.997 64.284 62.300 -0.022 0.000 1.027 272 V CB -1.092 30.707 31.823 -0.039 0.000 0.646 272 V HN 0.344 nan 8.190 nan 0.000 0.447 273 A N 0.105 122.915 122.820 -0.018 0.000 1.917 273 A HA -0.245 4.069 4.320 -0.011 0.000 0.219 273 A C 2.202 179.798 177.584 0.020 0.000 1.182 273 A CA 2.393 54.428 52.037 -0.004 0.000 0.633 273 A CB -0.642 18.345 19.000 -0.021 0.000 0.819 273 A HN 0.479 nan 8.150 nan 0.000 0.448 274 L N -0.279 120.945 121.223 0.002 0.000 2.027 274 L HA -0.100 4.234 4.340 -0.011 0.000 0.206 274 L C 2.134 179.043 176.870 0.065 0.000 1.074 274 L CA 2.353 57.194 54.840 0.001 0.000 0.745 274 L CB -0.713 41.331 42.059 -0.024 0.000 0.898 274 L HN 0.388 nan 8.230 nan 0.000 0.433 275 E N 0.041 120.279 120.200 0.063 0.000 2.107 275 E HA -0.088 4.255 4.350 -0.011 0.000 0.191 275 E C 2.132 178.780 176.600 0.079 0.000 0.982 275 E CA 1.172 57.621 56.400 0.083 0.000 0.809 275 E CB -0.352 29.379 29.700 0.051 0.000 0.756 275 E HN 0.623 nan 8.360 nan 0.000 0.459 276 A N 0.610 123.459 122.820 0.048 0.000 2.119 276 A HA -0.123 4.190 4.320 -0.011 0.000 0.217 276 A C 2.426 180.081 177.584 0.118 0.000 1.153 276 A CA 0.902 52.945 52.037 0.010 0.000 0.692 276 A CB -0.746 18.243 19.000 -0.018 0.000 0.799 276 A HN 0.345 nan 8.150 nan 0.000 0.458 277 C N -0.456 118.982 119.300 0.230 0.000 2.500 277 C HA -0.019 4.434 4.460 -0.011 0.000 0.279 277 C C 2.492 177.692 174.990 0.351 0.000 1.288 277 C CA 1.059 60.333 59.018 0.428 0.000 1.710 277 C CB -0.945 26.943 27.740 0.246 0.000 2.052 277 C HN 0.656 nan 8.230 nan 0.000 0.488 278 E N -0.072 120.278 120.200 0.251 0.000 2.301 278 E HA -0.286 4.057 4.350 -0.011 0.000 0.202 278 E C 1.652 178.342 176.600 0.151 0.000 1.017 278 E CA 1.492 58.037 56.400 0.241 0.000 0.831 278 E CB -0.603 29.233 29.700 0.226 0.000 0.742 278 E HN 0.839 nan 8.360 nan 0.000 0.491 279 F N -0.117 119.765 119.950 -0.112 0.000 2.186 279 F HA -0.161 4.360 4.527 -0.010 0.000 0.299 279 F C 1.763 177.385 175.800 -0.297 0.000 1.090 279 F CA 1.296 59.117 58.000 -0.297 0.000 1.307 279 F CB -0.423 38.249 39.000 -0.547 0.000 1.019 279 F HN -0.027 nan 8.300 nan 0.000 0.489 280 W N 0.405 121.735 121.300 0.050 0.000 2.402 280 W HA -0.078 4.575 4.660 -0.011 0.000 0.286 280 W C 2.180 178.646 176.519 -0.087 0.000 1.221 280 W CA 0.693 58.007 57.345 -0.053 0.000 1.257 280 W CB -0.668 28.825 29.460 0.055 0.000 1.120 280 W HN 0.026 nan 8.180 nan 0.000 0.551 281 L N -0.383 120.933 121.223 0.155 0.000 1.973 281 L HA -0.203 4.130 4.340 -0.011 0.000 0.208 281 L C 2.500 179.359 176.870 -0.018 0.000 1.073 281 L CA 1.735 56.631 54.840 0.094 0.000 0.746 281 L CB -1.374 40.764 42.059 0.132 0.000 0.891 281 L HN -0.099 nan 8.230 nan 0.000 0.433 282 T N 0.319 114.822 114.554 -0.085 0.000 2.720 282 T HA -0.224 4.119 4.350 -0.011 0.000 0.268 282 T C 1.928 176.501 174.700 -0.212 0.000 1.037 282 T CA 1.201 63.223 62.100 -0.131 0.000 1.144 282 T CB -0.266 68.527 68.868 -0.125 0.000 0.864 282 T HN 0.191 nan 8.240 nan 0.000 0.444 283 L N 0.807 121.790 121.223 -0.400 0.000 2.012 283 L HA -0.095 4.238 4.340 -0.011 0.000 0.210 283 L C 2.546 179.319 176.870 -0.162 0.000 1.073 283 L CA 1.418 56.016 54.840 -0.403 0.000 0.748 283 L CB -0.601 41.059 42.059 -0.664 0.000 0.891 283 L HN 0.270 nan 8.230 nan 0.000 0.431 284 A N -0.687 122.087 122.820 -0.076 0.000 2.276 284 A HA -0.114 4.199 4.320 -0.011 0.000 0.205 284 A C 1.600 179.171 177.584 -0.022 0.000 1.234 284 A CA 0.810 52.847 52.037 -0.000 0.000 0.797 284 A CB -0.420 18.616 19.000 0.060 0.000 0.769 284 A HN 0.476 nan 8.150 nan 0.000 0.491 285 E N 0.739 120.910 120.200 -0.049 0.000 2.081 285 E HA -0.012 4.331 4.350 -0.011 0.000 0.213 285 E C 0.466 177.039 176.600 -0.045 0.000 0.921 285 E CA 0.086 56.460 56.400 -0.043 0.000 0.936 285 E CB -0.877 28.794 29.700 -0.047 0.000 0.981 285 E HN 0.736 nan 8.360 nan 0.000 0.502 286 Q N 3.016 122.788 119.800 -0.047 0.000 2.368 286 Q HA -0.055 4.279 4.340 -0.011 0.000 0.331 286 Q C -1.850 174.125 176.000 -0.043 0.000 1.086 286 Q CA -0.422 55.357 55.803 -0.040 0.000 1.031 286 Q CB -0.388 28.329 28.738 -0.036 0.000 1.125 286 Q HN 0.115 nan 8.270 nan 0.000 0.389 287 P HA -0.114 nan 4.420 nan 0.000 0.234 287 P C 0.947 178.221 177.300 -0.044 0.000 1.162 287 P CA 0.539 63.608 63.100 -0.052 0.000 0.759 287 P CB 0.069 31.743 31.700 -0.045 0.000 0.813 288 I N -0.037 120.515 120.570 -0.030 0.000 2.194 288 I HA -0.272 3.891 4.170 -0.011 0.000 0.246 288 I C 2.791 178.904 176.117 -0.007 0.000 1.093 288 I CA 1.416 62.706 61.300 -0.017 0.000 1.355 288 I CB -1.356 36.634 38.000 -0.017 0.000 1.046 288 I HN 0.066 nan 8.210 nan 0.000 0.413 289 C N 0.342 119.635 119.300 -0.013 0.000 2.349 289 C HA -0.317 4.136 4.460 -0.011 0.000 0.274 289 C C 2.876 177.908 174.990 0.070 0.000 1.178 289 C CA 1.646 60.682 59.018 0.030 0.000 1.769 289 C CB -0.940 26.812 27.740 0.019 0.000 2.047 289 C HN 0.444 nan 8.230 nan 0.000 0.448 290 K N 0.469 120.829 120.400 -0.067 0.000 2.218 290 K HA -0.133 4.180 4.320 -0.011 0.000 0.205 290 K C 1.005 177.643 176.600 0.064 0.000 1.046 290 K CA 1.719 57.925 56.287 -0.136 0.000 0.933 290 K CB -0.302 32.059 32.500 -0.231 0.000 0.728 290 K HN 0.528 nan 8.250 nan 0.000 0.454 291 D N -1.331 119.106 120.400 0.061 0.000 2.369 291 D HA 0.030 4.663 4.640 -0.011 0.000 0.211 291 D C 1.185 177.555 176.300 0.116 0.000 1.077 291 D CA 0.666 54.715 54.000 0.082 0.000 0.842 291 D CB 0.774 41.603 40.800 0.048 0.000 0.947 291 D HN 0.199 nan 8.370 nan 0.000 0.509 292 V N -2.773 117.220 119.914 0.131 0.000 3.029 292 V HA 0.183 4.296 4.120 -0.011 0.000 0.230 292 V C 1.928 178.163 176.094 0.234 0.000 1.254 292 V CA -0.139 62.243 62.300 0.135 0.000 1.276 292 V CB -0.256 31.562 31.823 -0.008 0.000 1.080 292 V HN -0.042 nan 8.190 nan 0.000 0.495 293 L N 1.992 123.346 121.223 0.217 0.000 2.478 293 L HA 0.017 4.350 4.340 -0.011 0.000 0.223 293 L C 2.658 179.624 176.870 0.161 0.000 1.140 293 L CA 1.228 56.206 54.840 0.230 0.000 0.842 293 L CB -0.547 41.620 42.059 0.180 0.000 0.953 293 L HN 0.470 nan 8.230 nan 0.000 0.452 294 V N -0.012 120.015 119.914 0.189 0.000 2.311 294 V HA -0.382 3.731 4.120 -0.011 0.000 0.256 294 V C 2.588 178.681 176.094 -0.001 0.000 1.077 294 V CA 2.552 64.893 62.300 0.068 0.000 1.067 294 V CB -1.249 30.680 31.823 0.178 0.000 0.659 294 V HN 0.646 nan 8.190 nan 0.000 0.451 295 R N -0.423 120.140 120.500 0.105 0.000 2.080 295 R HA 0.004 4.337 4.340 -0.011 0.000 0.222 295 R C 2.299 178.598 176.300 -0.001 0.000 1.107 295 R CA 1.366 57.493 56.100 0.045 0.000 0.980 295 R CB -0.947 29.371 30.300 0.031 0.000 0.879 295 R HN 0.565 nan 8.270 nan 0.000 0.439 296 H N 0.786 119.887 119.070 0.051 0.000 2.518 296 H HA -0.043 4.506 4.556 -0.011 0.000 0.289 296 H C 2.007 177.309 175.328 -0.043 0.000 1.051 296 H CA 0.961 57.035 56.048 0.043 0.000 1.280 296 H CB 0.051 29.878 29.762 0.109 0.000 1.380 296 H HN 0.073 nan 8.280 nan 0.000 0.566 297 L N 1.767 122.980 121.223 -0.017 0.000 1.987 297 L HA -0.213 4.120 4.340 -0.011 0.000 0.230 297 L C -0.471 176.357 176.870 -0.069 0.000 1.089 297 L CA 2.297 57.026 54.840 -0.184 0.000 0.802 297 L CB -1.246 40.509 42.059 -0.508 0.000 0.905 297 L HN 0.248 nan 8.230 nan 0.000 0.441 298 P HA -0.147 nan 4.420 nan 0.000 0.230 298 P C 1.242 178.552 177.300 0.017 0.000 1.158 298 P CA 1.339 64.515 63.100 0.127 0.000 0.769 298 P CB 0.029 31.830 31.700 0.168 0.000 0.807 299 K N -0.441 119.958 120.400 -0.002 0.000 2.128 299 K HA 0.025 4.338 4.320 -0.011 0.000 0.202 299 K C 2.004 178.568 176.600 -0.061 0.000 1.050 299 K CA 0.315 56.592 56.287 -0.017 0.000 0.966 299 K CB -0.305 32.202 32.500 0.013 0.000 0.759 299 K HN -0.003 nan 8.250 nan 0.000 0.454 300 L N 1.160 122.322 121.223 -0.103 0.000 2.102 300 L HA -0.039 4.295 4.340 -0.011 0.000 0.202 300 L C 2.008 178.732 176.870 -0.243 0.000 1.076 300 L CA 1.171 55.867 54.840 -0.240 0.000 0.761 300 L CB -0.480 41.344 42.059 -0.391 0.000 0.921 300 L HN 0.163 nan 8.230 nan 0.000 0.444 301 I N 1.178 121.640 120.570 -0.181 0.000 2.113 301 I HA -0.273 3.891 4.170 -0.011 0.000 0.242 301 I C -0.580 175.461 176.117 -0.127 0.000 1.057 301 I CA 2.214 63.425 61.300 -0.148 0.000 1.314 301 I CB -1.424 36.522 38.000 -0.091 0.000 1.022 301 I HN 0.254 nan 8.210 nan 0.000 0.408 302 P HA -0.060 nan 4.420 nan 0.000 0.216 302 P C 2.013 179.248 177.300 -0.108 0.000 1.153 302 P CA 0.988 64.033 63.100 -0.092 0.000 0.844 302 P CB -0.002 31.654 31.700 -0.072 0.000 0.787 303 V N -0.744 119.098 119.914 -0.121 0.000 2.660 303 V HA -0.211 3.902 4.120 -0.011 0.000 0.257 303 V C 2.249 178.249 176.094 -0.156 0.000 1.088 303 V CA 1.447 63.670 62.300 -0.128 0.000 1.106 303 V CB -1.011 30.732 31.823 -0.133 0.000 0.686 303 V HN 0.057 nan 8.190 nan 0.000 0.481 304 L N -0.696 120.415 121.223 -0.186 0.000 2.116 304 L HA 0.035 4.368 4.340 -0.011 0.000 0.200 304 L C 2.376 179.163 176.870 -0.137 0.000 1.084 304 L CA 1.592 56.319 54.840 -0.189 0.000 0.766 304 L CB -0.534 41.392 42.059 -0.222 0.000 0.930 304 L HN 0.103 nan 8.230 nan 0.000 0.453 305 V N 0.393 120.236 119.914 -0.119 0.000 2.317 305 V HA -0.348 3.765 4.120 -0.011 0.000 0.251 305 V C 2.226 178.256 176.094 -0.107 0.000 1.065 305 V CA 2.037 64.276 62.300 -0.101 0.000 1.049 305 V CB -1.051 30.720 31.823 -0.087 0.000 0.651 305 V HN 0.576 nan 8.190 nan 0.000 0.450 306 N N 0.588 119.224 118.700 -0.107 0.000 2.519 306 N HA -0.078 4.656 4.740 -0.011 0.000 0.186 306 N C 1.526 176.972 175.510 -0.106 0.000 1.062 306 N CA 1.175 54.163 53.050 -0.104 0.000 0.910 306 N CB -0.143 38.288 38.487 -0.093 0.000 0.958 306 N HN 0.485 nan 8.380 nan 0.000 0.445 307 G N -1.194 107.537 108.800 -0.114 0.000 2.921 307 G HA2 0.053 4.007 3.960 -0.011 0.000 0.213 307 G HA3 0.053 4.007 3.960 -0.011 0.000 0.213 307 G C 1.130 175.942 174.900 -0.146 0.000 1.143 307 G CA -0.193 44.835 45.100 -0.120 0.000 0.764 307 G HN 0.270 nan 8.290 nan 0.000 0.542 308 M N 0.371 119.881 119.600 -0.149 0.000 2.618 308 M HA 0.208 4.681 4.480 -0.011 0.000 0.240 308 M C 0.365 176.543 176.300 -0.204 0.000 1.123 308 M CA 0.386 55.578 55.300 -0.179 0.000 1.060 308 M CB 0.196 32.711 32.600 -0.142 0.000 1.535 308 M HN -0.074 nan 8.290 nan 0.000 0.507 309 K N 0.052 120.354 120.400 -0.163 0.000 2.295 309 K HA 0.144 4.457 4.320 -0.011 0.000 0.270 309 K C -0.786 175.728 176.600 -0.143 0.000 1.011 309 K CA -0.270 55.934 56.287 -0.139 0.000 0.953 309 K CB 0.398 32.827 32.500 -0.119 0.000 0.956 309 K HN -0.079 nan 8.250 nan 0.000 0.477 310 Y N 1.157 121.394 120.300 -0.104 0.000 2.702 310 Y HA -0.111 4.432 4.550 -0.011 0.000 0.336 310 Y C 1.353 177.197 175.900 -0.093 0.000 1.235 310 Y CA 0.374 58.426 58.100 -0.080 0.000 1.492 310 Y CB 0.458 38.892 38.460 -0.042 0.000 1.308 310 Y HN 0.650 nan 8.280 nan 0.000 0.589 311 S N 1.255 117.013 115.700 0.097 0.000 2.608 311 S HA -0.013 4.451 4.470 -0.011 0.000 0.261 311 S C 1.034 175.661 174.600 0.046 0.000 1.314 311 S CA -0.447 57.773 58.200 0.034 0.000 0.992 311 S CB 0.886 64.096 63.200 0.015 0.000 0.935 311 S HN 0.800 nan 8.310 nan 0.000 0.564 312 D N 0.643 121.049 120.400 0.010 0.000 2.084 312 D HA -0.126 4.508 4.640 -0.011 0.000 0.196 312 D C 1.880 178.194 176.300 0.022 0.000 0.985 312 D CA 1.926 55.930 54.000 0.006 0.000 0.826 312 D CB -0.335 40.461 40.800 -0.007 0.000 0.978 312 D HN 0.738 nan 8.370 nan 0.000 0.456 313 I N -1.110 119.471 120.570 0.020 0.000 2.454 313 I HA -0.193 3.971 4.170 -0.011 0.000 0.254 313 I C 1.588 177.726 176.117 0.035 0.000 1.156 313 I CA 1.190 62.503 61.300 0.022 0.000 1.433 313 I CB -0.457 37.551 38.000 0.014 0.000 1.082 313 I HN -0.243 nan 8.210 nan 0.000 0.432 314 D N 2.157 122.593 120.400 0.059 0.000 2.116 314 D HA -0.164 4.470 4.640 -0.011 0.000 0.193 314 D C 2.221 178.547 176.300 0.044 0.000 0.998 314 D CA 1.795 55.856 54.000 0.101 0.000 0.836 314 D CB -0.282 40.661 40.800 0.239 0.000 0.951 314 D HN 0.476 nan 8.370 nan 0.000 0.449 315 I N 0.027 120.611 120.570 0.023 0.000 2.208 315 I HA -0.237 3.926 4.170 -0.011 0.000 0.245 315 I C 2.190 178.310 176.117 0.005 0.000 1.097 315 I CA 0.705 62.004 61.300 -0.002 0.000 1.363 315 I CB -0.201 37.853 38.000 0.090 0.000 1.051 315 I HN -0.010 nan 8.210 nan 0.000 0.413 316 I N 0.002 120.583 120.570 0.018 0.000 2.252 316 I HA -0.260 3.904 4.170 -0.011 0.000 0.245 316 I C 2.144 178.262 176.117 0.002 0.000 1.102 316 I CA 1.126 62.433 61.300 0.012 0.000 1.385 316 I CB -0.180 37.829 38.000 0.016 0.000 1.064 316 I HN 0.171 nan 8.210 nan 0.000 0.414 317 L N -0.277 120.950 121.223 0.006 0.000 2.633 317 L HA -0.043 4.291 4.340 -0.011 0.000 0.235 317 L C 1.258 178.125 176.870 -0.006 0.000 1.163 317 L CA 1.608 56.451 54.840 0.005 0.000 0.859 317 L CB -0.383 41.685 42.059 0.016 0.000 0.973 317 L HN 0.168 nan 8.230 nan 0.000 0.451 318 L N -2.801 118.409 121.223 -0.022 0.000 3.534 318 L HA 0.301 4.635 4.340 -0.011 0.000 0.174 318 L C 0.470 177.307 176.870 -0.055 0.000 1.215 318 L CA -0.480 54.334 54.840 -0.043 0.000 0.857 318 L CB -0.185 41.831 42.059 -0.072 0.000 1.502 318 L HN -0.254 nan 8.230 nan 0.000 0.614 367 D N 1.016 121.414 120.400 -0.003 0.000 2.498 367 D HA 0.101 4.734 4.640 -0.011 0.000 0.229 367 D C -0.750 175.553 176.300 0.004 0.000 1.188 367 D CA 0.030 54.031 54.000 0.001 0.000 1.028 367 D CB -0.271 40.534 40.800 0.008 0.000 1.087 367 D HN 0.063 nan 8.370 nan 0.000 0.510 368 D N 2.577 122.976 120.400 -0.000 0.000 2.380 368 D HA 0.051 4.685 4.640 -0.011 0.000 0.270 368 D C 0.120 176.424 176.300 0.007 0.000 1.363 368 D CA 0.415 54.416 54.000 0.002 0.000 1.057 368 D CB 0.115 40.913 40.800 -0.005 0.000 1.096 368 D HN 0.330 nan 8.370 nan 0.000 0.524 369 T N -0.712 113.851 114.554 0.015 0.000 2.924 369 T HA 0.592 4.935 4.350 -0.011 0.000 0.291 369 T C 0.305 175.024 174.700 0.031 0.000 1.045 369 T CA -0.928 61.187 62.100 0.025 0.000 1.015 369 T CB 1.932 70.817 68.868 0.028 0.000 1.103 369 T HN 0.042 nan 8.240 nan 0.000 0.496 370 I N 1.028 121.624 120.570 0.044 0.000 3.110 370 I HA 0.473 4.636 4.170 -0.011 0.000 0.314 370 I C 0.922 177.068 176.117 0.048 0.000 1.020 370 I CA -0.104 61.225 61.300 0.048 0.000 1.169 370 I CB 1.593 39.634 38.000 0.069 0.000 1.437 370 I HN 0.856 nan 8.210 nan 0.000 0.595 371 S N 1.497 117.225 115.700 0.047 0.000 2.558 371 S HA -0.070 4.394 4.470 -0.011 0.000 0.287 371 S C 0.842 175.494 174.600 0.088 0.000 1.321 371 S CA -0.059 58.178 58.200 0.063 0.000 1.048 371 S CB 0.096 63.332 63.200 0.060 0.000 0.844 371 S HN 0.641 nan 8.310 nan 0.000 0.512 372 D N 2.070 122.540 120.400 0.116 0.000 2.264 372 D HA -0.030 4.603 4.640 -0.011 0.000 0.208 372 D C -0.082 176.396 176.300 0.295 0.000 0.966 372 D CA 0.880 54.971 54.000 0.152 0.000 0.864 372 D CB 0.144 41.014 40.800 0.116 0.000 0.933 372 D HN 0.646 nan 8.370 nan 0.000 0.499 373 W N 2.195 123.490 121.300 -0.008 0.000 2.466 373 W HA 0.233 4.886 4.660 -0.012 0.000 0.303 373 W C -0.199 176.314 176.519 -0.010 0.000 0.999 373 W CA -0.871 56.468 57.345 -0.011 0.000 1.437 373 W CB 0.414 29.870 29.460 -0.006 0.000 1.274 373 W HN -0.279 nan 8.180 nan 0.000 0.417 374 N N 1.923 120.432 118.700 -0.319 0.000 2.418 374 N HA 0.082 4.815 4.740 -0.011 0.000 0.283 374 N C 0.693 175.882 175.510 -0.536 0.000 1.267 374 N CA -0.287 52.566 53.050 -0.328 0.000 0.975 374 N CB 1.310 39.649 38.487 -0.246 0.000 1.167 374 N HN 0.460 nan 8.380 nan 0.000 0.581 375 L N 1.713 122.728 121.223 -0.347 0.000 2.145 375 L HA 0.113 4.446 4.340 -0.011 0.000 0.201 375 L C 2.564 179.235 176.870 -0.332 0.000 1.075 375 L CA 1.305 55.949 54.840 -0.328 0.000 0.773 375 L CB -1.080 40.866 42.059 -0.187 0.000 0.936 375 L HN 0.604 nan 8.230 nan 0.000 0.451 376 R N 0.178 120.508 120.500 -0.284 0.000 2.134 376 R HA -0.281 4.053 4.340 -0.011 0.000 0.248 376 R C 2.237 178.341 176.300 -0.327 0.000 1.143 376 R CA 2.405 58.331 56.100 -0.290 0.000 0.957 376 R CB -0.287 29.814 30.300 -0.332 0.000 0.867 376 R HN 0.397 nan 8.270 nan 0.000 0.441 377 K N -0.181 119.972 120.400 -0.411 0.000 2.026 377 K HA -0.162 4.151 4.320 -0.011 0.000 0.208 377 K C 2.325 178.610 176.600 -0.525 0.000 1.048 377 K CA 1.559 57.584 56.287 -0.436 0.000 0.929 377 K CB -0.398 31.826 32.500 -0.460 0.000 0.713 377 K HN 0.285 nan 8.250 nan 0.000 0.439 378 C N 0.861 119.672 119.300 -0.815 0.000 2.413 378 C HA -0.138 4.315 4.460 -0.011 0.000 0.276 378 C C 2.674 177.579 174.990 -0.141 0.000 1.248 378 C CA 1.457 60.162 59.018 -0.521 0.000 1.742 378 C CB -0.878 26.586 27.740 -0.461 0.000 2.017 378 C HN 0.460 nan 8.230 nan 0.000 0.481 379 S N 1.162 116.762 115.700 -0.167 0.000 2.351 379 S HA -0.134 4.330 4.470 -0.011 0.000 0.220 379 S C 2.245 176.802 174.600 -0.071 0.000 1.035 379 S CA 1.544 59.685 58.200 -0.099 0.000 1.031 379 S CB -0.893 62.228 63.200 -0.132 0.000 0.928 379 S HN 0.830 nan 8.310 nan 0.000 0.433 380 A N 2.040 124.799 122.820 -0.102 0.000 1.892 380 A HA -0.028 4.286 4.320 -0.011 0.000 0.218 380 A C 2.414 180.002 177.584 0.007 0.000 1.188 380 A CA 2.063 54.064 52.037 -0.060 0.000 0.631 380 A CB -1.387 17.546 19.000 -0.111 0.000 0.822 380 A HN 0.558 nan 8.150 nan 0.000 0.447 381 A N -0.134 122.704 122.820 0.030 0.000 1.859 381 A HA 0.032 4.345 4.320 -0.011 0.000 0.217 381 A C 2.587 180.239 177.584 0.114 0.000 1.198 381 A CA 2.834 54.943 52.037 0.121 0.000 0.629 381 A CB -1.310 17.848 19.000 0.265 0.000 0.830 381 A HN 1.242 nan 8.150 nan 0.000 0.446 382 A N -0.729 122.158 122.820 0.111 0.000 1.865 382 A HA -0.101 4.212 4.320 -0.011 0.000 0.217 382 A C 2.197 179.826 177.584 0.076 0.000 1.191 382 A CA 1.892 54.000 52.037 0.118 0.000 0.623 382 A CB -0.806 18.281 19.000 0.146 0.000 0.826 382 A HN 0.810 nan 8.150 nan 0.000 0.444 383 L N 0.167 121.412 121.223 0.037 0.000 2.043 383 L HA -0.227 4.106 4.340 -0.011 0.000 0.212 383 L C 2.116 179.020 176.870 0.056 0.000 1.075 383 L CA 2.721 57.576 54.840 0.024 0.000 0.752 383 L CB -0.532 41.527 42.059 0.000 0.000 0.891 383 L HN 0.522 nan 8.230 nan 0.000 0.432 384 D N -0.775 119.670 120.400 0.074 0.000 2.087 384 D HA -0.181 4.453 4.640 -0.011 0.000 0.192 384 D C 2.127 178.473 176.300 0.076 0.000 0.993 384 D CA 2.090 56.143 54.000 0.088 0.000 0.828 384 D CB -0.124 40.742 40.800 0.110 0.000 0.968 384 D HN 0.239 nan 8.370 nan 0.000 0.448 385 V N 1.363 121.324 119.914 0.078 0.000 2.252 385 V HA -0.277 3.836 4.120 -0.011 0.000 0.249 385 V C 2.947 179.089 176.094 0.079 0.000 1.056 385 V CA 1.576 63.917 62.300 0.070 0.000 1.022 385 V CB -0.762 31.105 31.823 0.073 0.000 0.641 385 V HN 0.256 nan 8.190 nan 0.000 0.445 386 L N 0.209 121.491 121.223 0.099 0.000 1.990 386 L HA -0.252 4.081 4.340 -0.011 0.000 0.213 386 L C 2.820 179.784 176.870 0.158 0.000 1.072 386 L CA 1.832 56.759 54.840 0.144 0.000 0.755 386 L CB -0.952 41.167 42.059 0.100 0.000 0.889 386 L HN 0.393 nan 8.230 nan 0.000 0.432 387 A N 0.240 123.122 122.820 0.103 0.000 1.958 387 A HA -0.274 4.040 4.320 -0.011 0.000 0.221 387 A C 2.035 179.671 177.584 0.087 0.000 1.178 387 A CA 2.309 54.401 52.037 0.093 0.000 0.642 387 A CB -0.684 18.358 19.000 0.070 0.000 0.816 387 A HN 0.540 nan 8.150 nan 0.000 0.453 388 N N -0.138 118.599 118.700 0.063 0.000 2.270 388 N HA -0.086 4.647 4.740 -0.011 0.000 0.181 388 N C 1.689 177.201 175.510 0.004 0.000 1.016 388 N CA 1.594 54.661 53.050 0.028 0.000 0.870 388 N CB -0.414 38.082 38.487 0.015 0.000 0.979 388 N HN 0.347 nan 8.380 nan 0.000 0.431 389 V N -0.189 119.729 119.914 0.006 0.000 2.453 389 V HA -0.146 3.967 4.120 -0.011 0.000 0.247 389 V C 1.138 177.067 176.094 -0.275 0.000 1.048 389 V CA 1.363 63.575 62.300 -0.146 0.000 1.049 389 V CB -0.564 31.153 31.823 -0.177 0.000 0.672 389 V HN 0.240 nan 8.190 nan 0.000 0.457 390 Y N -0.854 119.443 120.300 -0.005 0.000 2.467 390 Y HA 0.322 4.865 4.550 -0.011 0.000 0.250 390 Y C 1.449 177.351 175.900 0.004 0.000 1.155 390 Y CA -0.914 57.182 58.100 -0.007 0.000 1.249 390 Y CB 0.185 38.629 38.460 -0.026 0.000 1.146 390 Y HN 0.062 nan 8.280 nan 0.000 0.524 391 R N 0.225 120.791 120.500 0.109 0.000 3.657 391 R HA -0.300 4.033 4.340 -0.011 0.000 0.533 391 R C 0.712 177.067 176.300 0.092 0.000 0.241 391 R CA 1.649 57.793 56.100 0.074 0.000 1.659 391 R CB -1.511 28.812 30.300 0.039 0.000 0.920 391 R HN 0.278 nan 8.270 nan 0.000 0.599 392 D N 1.346 121.790 120.400 0.074 0.000 2.312 392 D HA -0.077 4.556 4.640 -0.011 0.000 0.211 392 D C 0.925 177.283 176.300 0.096 0.000 0.964 392 D CA 0.600 54.647 54.000 0.078 0.000 0.877 392 D CB -0.201 40.633 40.800 0.056 0.000 0.924 392 D HN 0.437 nan 8.370 nan 0.000 0.515 393 E N 0.566 120.832 120.200 0.110 0.000 2.594 393 E HA 0.058 4.402 4.350 -0.011 0.000 0.300 393 E C 0.532 177.219 176.600 0.146 0.000 1.568 393 E CA -0.111 56.368 56.400 0.131 0.000 1.811 393 E CB -0.092 29.689 29.700 0.136 0.000 1.458 393 E HN 0.082 nan 8.360 nan 0.000 0.470 394 L N 0.156 121.457 121.223 0.131 0.000 3.122 394 L HA 0.114 4.448 4.340 -0.011 0.000 0.296 394 L C 1.141 178.087 176.870 0.128 0.000 1.040 394 L CA 0.494 55.392 54.840 0.096 0.000 1.164 394 L CB -0.141 41.965 42.059 0.079 0.000 1.990 394 L HN 0.242 nan 8.230 nan 0.000 0.579 395 L N 1.160 122.448 121.223 0.107 0.000 2.010 395 L HA -0.189 4.144 4.340 -0.011 0.000 0.219 395 L C -0.412 176.484 176.870 0.042 0.000 1.077 395 L CA 2.159 57.043 54.840 0.073 0.000 0.773 395 L CB -2.461 39.654 42.059 0.093 0.000 0.892 395 L HN 0.208 nan 8.230 nan 0.000 0.436 396 P HA -0.183 nan 4.420 nan 0.000 0.217 396 P C 1.034 178.250 177.300 -0.140 0.000 1.148 396 P CA 1.679 64.741 63.100 -0.063 0.000 0.834 396 P CB -0.165 31.475 31.700 -0.100 0.000 0.783 397 H N -3.036 116.004 119.070 -0.051 0.000 2.547 397 H HA 0.160 4.709 4.556 -0.011 0.000 0.266 397 H C 1.501 176.787 175.328 -0.072 0.000 0.988 397 H CA 0.462 56.470 56.048 -0.068 0.000 1.147 397 H CB -0.054 29.654 29.762 -0.091 0.000 1.365 397 H HN 0.169 nan 8.280 nan 0.000 0.589 398 I N -2.006 118.579 120.570 0.025 0.000 4.079 398 I HA 0.027 4.190 4.170 -0.011 0.000 0.276 398 I C 1.576 177.663 176.117 -0.050 0.000 1.146 398 I CA 0.058 61.351 61.300 -0.012 0.000 1.324 398 I CB -0.436 37.563 38.000 -0.001 0.000 1.638 398 I HN 0.054 nan 8.210 nan 0.000 0.436 399 L N 2.552 123.733 121.223 -0.069 0.000 2.058 399 L HA -0.224 4.110 4.340 -0.011 0.000 0.226 399 L C -0.833 175.960 176.870 -0.128 0.000 1.089 399 L CA 2.933 57.691 54.840 -0.135 0.000 0.799 399 L CB -1.710 40.231 42.059 -0.197 0.000 0.900 399 L HN 0.207 nan 8.230 nan 0.000 0.442 400 P HA -0.205 nan 4.420 nan 0.000 0.216 400 P C 1.936 179.200 177.300 -0.061 0.000 1.157 400 P CA 1.603 64.654 63.100 -0.081 0.000 0.880 400 P CB -0.069 31.585 31.700 -0.077 0.000 0.791 401 L N -1.693 119.494 121.223 -0.061 0.000 1.990 401 L HA -0.208 4.126 4.340 -0.011 0.000 0.213 401 L C 2.572 179.408 176.870 -0.057 0.000 1.072 401 L CA 1.743 56.550 54.840 -0.056 0.000 0.755 401 L CB -1.584 40.440 42.059 -0.059 0.000 0.889 401 L HN -0.096 nan 8.230 nan 0.000 0.432 402 L N -0.846 120.333 121.223 -0.073 0.000 2.021 402 L HA -0.299 4.035 4.340 -0.011 0.000 0.215 402 L C 2.733 179.552 176.870 -0.085 0.000 1.074 402 L CA 1.423 56.206 54.840 -0.096 0.000 0.760 402 L CB -0.651 41.340 42.059 -0.113 0.000 0.889 402 L HN 0.236 nan 8.230 nan 0.000 0.433 403 K N -0.334 120.054 120.400 -0.019 0.000 2.034 403 K HA -0.265 4.049 4.320 -0.011 0.000 0.214 403 K C 2.024 178.718 176.600 0.156 0.000 1.051 403 K CA 1.641 58.002 56.287 0.123 0.000 0.931 403 K CB -0.389 32.149 32.500 0.064 0.000 0.715 403 K HN 0.335 nan 8.250 nan 0.000 0.446 404 E N 0.568 120.807 120.200 0.065 0.000 2.418 404 E HA -0.101 4.243 4.350 -0.011 0.000 0.197 404 E C 1.839 178.477 176.600 0.064 0.000 1.026 404 E CA 0.470 56.916 56.400 0.076 0.000 0.862 404 E CB 0.226 29.943 29.700 0.028 0.000 0.799 404 E HN 0.129 nan 8.360 nan 0.000 0.518 405 L N -0.520 120.699 121.223 -0.007 0.000 2.269 405 L HA 0.029 4.363 4.340 -0.011 0.000 0.200 405 L C 2.294 179.126 176.870 -0.064 0.000 1.069 405 L CA 0.452 55.261 54.840 -0.052 0.000 0.804 405 L CB -0.183 41.825 42.059 -0.086 0.000 0.987 405 L HN 0.060 nan 8.230 nan 0.000 0.468 406 L N -1.452 119.620 121.223 -0.252 0.000 2.141 406 L HA -0.134 4.199 4.340 -0.011 0.000 0.209 406 L C 1.165 177.763 176.870 -0.453 0.000 1.094 406 L CA 1.205 55.755 54.840 -0.485 0.000 0.763 406 L CB -0.222 41.273 42.059 -0.940 0.000 0.908 406 L HN 0.193 nan 8.230 nan 0.000 0.437 407 F N -2.799 117.199 119.950 0.079 0.000 2.647 407 F HA 0.207 4.727 4.527 -0.012 0.000 0.300 407 F C 1.217 177.094 175.800 0.128 0.000 1.106 407 F CA -0.628 57.423 58.000 0.085 0.000 1.313 407 F CB -0.738 38.249 39.000 -0.021 0.000 1.007 407 F HN 0.016 nan 8.300 nan 0.000 0.536 408 H N -0.084 119.083 119.070 0.162 0.000 2.745 408 H HA 0.006 4.556 4.556 -0.011 0.000 0.373 408 H C 0.946 176.407 175.328 0.221 0.000 1.226 408 H CA 0.607 56.742 56.048 0.145 0.000 1.435 408 H CB 0.761 30.570 29.762 0.079 0.000 1.461 408 H HN 0.080 nan 8.280 nan 0.000 0.616 409 H N 2.023 120.827 119.070 -0.444 0.000 2.276 409 H HA -0.000 4.549 4.556 -0.011 0.000 0.307 409 H C 0.087 175.460 175.328 0.075 0.000 1.061 409 H CA 1.032 56.985 56.048 -0.159 0.000 1.336 409 H CB 0.135 29.747 29.762 -0.251 0.000 1.396 409 H HN 0.663 nan 8.280 nan 0.000 0.503 410 E N 1.828 122.177 120.200 0.249 0.000 2.415 410 E HA -0.106 4.238 4.350 -0.011 0.000 0.263 410 E C 1.122 177.824 176.600 0.170 0.000 0.995 410 E CA 0.096 56.600 56.400 0.173 0.000 0.915 410 E CB 0.369 30.140 29.700 0.117 0.000 0.951 410 E HN 0.602 nan 8.360 nan 0.000 0.449 411 W N 3.748 125.104 121.300 0.093 0.000 2.363 411 W HA -0.176 4.477 4.660 -0.012 0.000 0.296 411 W C 0.971 177.540 176.519 0.084 0.000 1.212 411 W CA 0.752 58.145 57.345 0.080 0.000 1.260 411 W CB -1.046 28.436 29.460 0.037 0.000 1.131 411 W HN 0.290 nan 8.180 nan 0.000 0.530 412 V N 2.102 121.461 119.914 -0.924 0.000 2.453 412 V HA -0.339 3.774 4.120 -0.011 0.000 0.252 412 V C 2.524 178.452 176.094 -0.276 0.000 1.068 412 V CA 2.218 64.010 62.300 -0.845 0.000 1.070 412 V CB -1.486 29.759 31.823 -0.964 0.000 0.664 412 V HN 0.125 nan 8.190 nan 0.000 0.461 413 V N -0.700 119.099 119.914 -0.192 0.000 2.346 413 V HA -0.194 3.919 4.120 -0.011 0.000 0.244 413 V C 2.412 178.489 176.094 -0.029 0.000 1.037 413 V CA 1.851 64.063 62.300 -0.147 0.000 1.029 413 V CB -0.723 30.916 31.823 -0.307 0.000 0.663 413 V HN 0.429 nan 8.190 nan 0.000 0.454 414 K N 0.041 120.489 120.400 0.079 0.000 2.000 414 K HA -0.300 4.013 4.320 -0.011 0.000 0.218 414 K C 2.398 179.067 176.600 0.116 0.000 1.053 414 K CA 2.196 58.556 56.287 0.121 0.000 0.946 414 K CB -0.393 32.230 32.500 0.205 0.000 0.723 414 K HN 0.400 nan 8.250 nan 0.000 0.446 415 E N 0.769 121.081 120.200 0.186 0.000 2.086 415 E HA -0.249 4.095 4.350 -0.011 0.000 0.205 415 E C 1.909 178.593 176.600 0.139 0.000 1.027 415 E CA 2.316 58.852 56.400 0.227 0.000 0.830 415 E CB -0.211 29.716 29.700 0.379 0.000 0.751 415 E HN 0.407 nan 8.360 nan 0.000 0.456 416 S N -0.573 115.167 115.700 0.065 0.000 2.368 416 S HA -0.072 4.391 4.470 -0.011 0.000 0.225 416 S C 2.247 176.848 174.600 0.001 0.000 1.030 416 S CA 1.346 59.543 58.200 -0.006 0.000 0.999 416 S CB -0.986 62.176 63.200 -0.064 0.000 0.844 416 S HN 0.362 nan 8.310 nan 0.000 0.459 417 G N 2.787 111.585 108.800 -0.004 0.000 2.459 417 G HA2 -0.100 3.854 3.960 -0.011 0.000 0.217 417 G HA3 -0.100 3.854 3.960 -0.011 0.000 0.217 417 G C 1.441 176.355 174.900 0.023 0.000 1.183 417 G CA 1.055 46.144 45.100 -0.018 0.000 0.776 417 G HN 0.480 nan 8.290 nan 0.000 0.552 418 I N 0.764 121.370 120.570 0.061 0.000 2.113 418 I HA -0.220 3.944 4.170 -0.011 0.000 0.242 418 I C 2.727 178.956 176.117 0.186 0.000 1.064 418 I CA 1.465 62.837 61.300 0.120 0.000 1.320 418 I CB -1.003 37.089 38.000 0.153 0.000 1.028 418 I HN 0.238 nan 8.210 nan 0.000 0.406 419 L N 1.020 122.347 121.223 0.172 0.000 2.012 419 L HA -0.161 4.173 4.340 -0.011 0.000 0.210 419 L C 2.474 179.483 176.870 0.233 0.000 1.073 419 L CA 1.768 56.736 54.840 0.213 0.000 0.748 419 L CB -0.726 41.365 42.059 0.052 0.000 0.891 419 L HN -0.022 nan 8.230 nan 0.000 0.431 420 V N -0.189 119.797 119.914 0.120 0.000 2.255 420 V HA -0.332 3.782 4.120 -0.011 0.000 0.247 420 V C 2.613 178.791 176.094 0.140 0.000 1.051 420 V CA 2.036 64.393 62.300 0.096 0.000 1.018 420 V CB -0.858 30.982 31.823 0.028 0.000 0.641 420 V HN 0.559 nan 8.190 nan 0.000 0.445 421 L N 0.464 121.766 121.223 0.131 0.000 1.991 421 L HA -0.251 4.082 4.340 -0.011 0.000 0.221 421 L C 2.407 179.447 176.870 0.285 0.000 1.079 421 L CA 2.566 57.502 54.840 0.160 0.000 0.778 421 L CB -1.037 41.089 42.059 0.110 0.000 0.893 421 L HN 0.491 nan 8.230 nan 0.000 0.437 422 G N -1.678 107.281 108.800 0.265 0.000 2.422 422 G HA2 -0.188 3.765 3.960 -0.011 0.000 0.218 422 G HA3 -0.188 3.765 3.960 -0.011 0.000 0.218 422 G C 1.625 176.530 174.900 0.009 0.000 1.140 422 G CA 0.669 45.770 45.100 0.002 0.000 0.775 422 G HN 0.596 nan 8.290 nan 0.000 0.545 423 A N 1.179 124.204 122.820 0.342 0.000 1.972 423 A HA 0.034 4.347 4.320 -0.011 0.000 0.219 423 A C 2.273 179.951 177.584 0.157 0.000 1.169 423 A CA 1.581 53.830 52.037 0.353 0.000 0.635 423 A CB -0.339 18.815 19.000 0.257 0.000 0.810 423 A HN 0.783 nan 8.150 nan 0.000 0.446 424 I N -3.300 117.340 120.570 0.116 0.000 3.578 424 I HA 0.385 4.548 4.170 -0.011 0.000 0.295 424 I C 1.995 178.137 176.117 0.042 0.000 1.280 424 I CA 0.533 61.883 61.300 0.083 0.000 1.347 424 I CB -0.636 37.420 38.000 0.092 0.000 1.051 424 I HN 0.134 nan 8.210 nan 0.000 0.460 425 A N 2.993 125.778 122.820 -0.057 0.000 1.873 425 A HA -0.366 3.948 4.320 -0.011 0.000 0.219 425 A C 2.350 179.822 177.584 -0.186 0.000 1.269 425 A CA 2.986 54.833 52.037 -0.317 0.000 0.671 425 A CB -1.290 17.160 19.000 -0.917 0.000 0.842 425 A HN 0.773 nan 8.150 nan 0.000 0.460 426 E N -1.036 119.061 120.200 -0.172 0.000 2.204 426 E HA 0.046 4.389 4.350 -0.011 0.000 0.194 426 E C 1.838 178.413 176.600 -0.041 0.000 0.989 426 E CA 1.032 57.367 56.400 -0.107 0.000 0.824 426 E CB -0.620 29.024 29.700 -0.092 0.000 0.756 426 E HN 0.491 nan 8.360 nan 0.000 0.477 427 G N 0.527 109.322 108.800 -0.009 0.000 2.430 427 G HA2 -0.144 3.809 3.960 -0.011 0.000 0.216 427 G HA3 -0.144 3.809 3.960 -0.011 0.000 0.216 427 G C 0.980 175.902 174.900 0.036 0.000 1.146 427 G CA 0.698 45.809 45.100 0.019 0.000 0.793 427 G HN 0.404 nan 8.290 nan 0.000 0.537 428 C N 0.532 119.862 119.300 0.050 0.000 2.557 428 C HA 0.457 4.910 4.460 -0.011 0.000 0.281 428 C C 1.736 176.774 174.990 0.081 0.000 1.490 428 C CA -0.764 58.298 59.018 0.072 0.000 1.771 428 C CB -0.511 27.284 27.740 0.092 0.000 2.887 428 C HN 0.370 nan 8.230 nan 0.000 0.527 429 M N 1.964 121.596 119.600 0.053 0.000 2.077 429 M HA -0.106 4.368 4.480 -0.011 0.000 0.261 429 M C 2.448 178.762 176.300 0.023 0.000 1.070 429 M CA 2.031 57.366 55.300 0.059 0.000 1.125 429 M CB -0.383 32.230 32.600 0.021 0.000 1.339 429 M HN 0.388 nan 8.290 nan 0.000 0.409 430 Q N -0.563 119.243 119.800 0.011 0.000 2.045 430 Q HA -0.104 4.230 4.340 -0.011 0.000 0.206 430 Q C 1.976 177.959 176.000 -0.029 0.000 0.991 430 Q CA 1.970 57.769 55.803 -0.007 0.000 0.851 430 Q CB -1.699 27.040 28.738 0.001 0.000 0.911 430 Q HN 0.656 nan 8.270 nan 0.000 0.418 431 G N -0.384 108.418 108.800 0.003 0.000 2.956 431 G HA2 -0.015 3.939 3.960 -0.011 0.000 0.207 431 G HA3 -0.015 3.939 3.960 -0.011 0.000 0.207 431 G C 1.142 176.061 174.900 0.033 0.000 1.162 431 G CA 0.007 45.116 45.100 0.015 0.000 0.796 431 G HN 0.077 nan 8.290 nan 0.000 0.527 432 M N 0.346 119.941 119.600 -0.007 0.000 2.514 432 M HA 0.269 4.743 4.480 -0.011 0.000 0.258 432 M C 2.189 178.332 176.300 -0.261 0.000 1.159 432 M CA -0.057 55.234 55.300 -0.015 0.000 1.116 432 M CB -0.170 32.466 32.600 0.059 0.000 1.333 432 M HN 0.071 nan 8.290 nan 0.000 0.487 433 I N 1.212 121.574 120.570 -0.347 0.000 2.145 433 I HA -0.236 3.928 4.170 -0.011 0.000 0.244 433 I C -0.522 175.232 176.117 -0.604 0.000 1.075 433 I CA 1.798 62.743 61.300 -0.591 0.000 1.332 433 I CB -2.932 34.842 38.000 -0.376 0.000 1.033 433 I HN 0.116 nan 8.210 nan 0.000 0.410 434 P HA -0.186 nan 4.420 nan 0.000 0.217 434 P C 1.313 178.248 177.300 -0.608 0.000 1.151 434 P CA 1.783 64.494 63.100 -0.649 0.000 0.849 434 P CB -0.235 30.871 31.700 -0.991 0.000 0.787 435 Y N -2.272 117.902 120.300 -0.211 0.000 2.468 435 Y HA 0.207 4.751 4.550 -0.010 0.000 0.268 435 Y C 1.984 177.732 175.900 -0.254 0.000 1.177 435 Y CA -0.311 57.684 58.100 -0.175 0.000 1.265 435 Y CB -0.691 37.691 38.460 -0.130 0.000 1.103 435 Y HN -0.121 nan 8.280 nan 0.000 0.522 436 L N 0.492 121.482 121.223 -0.388 0.000 2.095 436 L HA 0.004 4.337 4.340 -0.011 0.000 0.204 436 L C -0.491 176.238 176.870 -0.235 0.000 1.080 436 L CA 0.540 55.050 54.840 -0.549 0.000 0.759 436 L CB -1.510 39.770 42.059 -1.300 0.000 0.914 436 L HN 0.115 nan 8.230 nan 0.000 0.439 437 P HA -0.208 nan 4.420 nan 0.000 0.217 437 P C 0.811 178.339 177.300 0.381 0.000 1.151 437 P CA 1.522 64.831 63.100 0.348 0.000 0.849 437 P CB 0.057 31.929 31.700 0.287 0.000 0.787 438 E N -1.979 118.346 120.200 0.208 0.000 2.447 438 E HA 0.094 4.437 4.350 -0.011 0.000 0.204 438 E C 1.764 178.482 176.600 0.197 0.000 0.977 438 E CA 0.053 56.570 56.400 0.194 0.000 0.950 438 E CB -1.354 28.423 29.700 0.129 0.000 0.975 438 E HN 0.142 nan 8.360 nan 0.000 0.496 439 L N 0.494 121.812 121.223 0.157 0.000 2.131 439 L HA -0.019 4.315 4.340 -0.011 0.000 0.206 439 L C 1.787 178.772 176.870 0.191 0.000 1.087 439 L CA 0.704 55.634 54.840 0.150 0.000 0.767 439 L CB -0.048 42.030 42.059 0.032 0.000 0.917 439 L HN 0.128 nan 8.230 nan 0.000 0.441 440 I N 0.704 121.387 120.570 0.188 0.000 2.099 440 I HA -0.218 3.946 4.170 -0.011 0.000 0.239 440 I C -0.178 176.087 176.117 0.246 0.000 1.066 440 I CA 1.803 63.245 61.300 0.236 0.000 1.324 440 I CB -2.644 35.575 38.000 0.365 0.000 1.037 440 I HN 0.187 nan 8.210 nan 0.000 0.401 441 P HA -0.186 nan 4.420 nan 0.000 0.220 441 P C 1.738 179.143 177.300 0.174 0.000 1.144 441 P CA 1.476 64.680 63.100 0.173 0.000 0.800 441 P CB -0.369 31.413 31.700 0.136 0.000 0.772 442 H N -0.112 119.037 119.070 0.131 0.000 2.307 442 H HA -0.027 4.522 4.556 -0.012 0.000 0.303 442 H C 1.820 177.216 175.328 0.112 0.000 1.073 442 H CA 1.214 57.344 56.048 0.137 0.000 1.338 442 H CB -0.580 29.297 29.762 0.192 0.000 1.389 442 H HN 0.016 nan 8.280 nan 0.000 0.503 443 L N 0.723 121.997 121.223 0.085 0.000 2.081 443 L HA -0.222 4.112 4.340 -0.011 0.000 0.212 443 L C 2.758 179.632 176.870 0.006 0.000 1.080 443 L CA 1.152 56.008 54.840 0.026 0.000 0.754 443 L CB -0.329 41.795 42.059 0.109 0.000 0.893 443 L HN 0.319 nan 8.230 nan 0.000 0.433 444 I N -1.256 119.340 120.570 0.043 0.000 2.493 444 I HA -0.244 3.920 4.170 -0.011 0.000 0.254 444 I C 2.501 178.617 176.117 -0.001 0.000 1.160 444 I CA 0.620 61.943 61.300 0.038 0.000 1.445 444 I CB -0.212 37.824 38.000 0.059 0.000 1.086 444 I HN 0.274 nan 8.210 nan 0.000 0.433 445 Q N 0.456 120.233 119.800 -0.038 0.000 2.046 445 Q HA -0.145 4.189 4.340 -0.011 0.000 0.200 445 Q C 2.376 178.329 176.000 -0.078 0.000 0.975 445 Q CA 1.655 57.423 55.803 -0.060 0.000 0.836 445 Q CB -0.668 28.025 28.738 -0.075 0.000 0.896 445 Q HN 0.514 nan 8.270 nan 0.000 0.428 446 C N 0.202 119.418 119.300 -0.141 0.000 2.409 446 C HA -0.076 4.377 4.460 -0.011 0.000 0.288 446 C C 1.761 176.740 174.990 -0.018 0.000 1.395 446 C CA 0.178 59.141 59.018 -0.092 0.000 1.792 446 C CB -1.360 26.316 27.740 -0.108 0.000 1.847 446 C HN 0.392 nan 8.230 nan 0.000 0.534 447 L N 0.691 121.913 121.223 -0.003 0.000 2.762 447 L HA 0.015 4.348 4.340 -0.011 0.000 0.250 447 L C 1.570 178.443 176.870 0.005 0.000 1.160 447 L CA 0.468 55.319 54.840 0.019 0.000 0.951 447 L CB -0.521 41.558 42.059 0.034 0.000 1.148 447 L HN 0.289 nan 8.230 nan 0.000 0.424 448 S N -2.854 112.842 115.700 -0.008 0.000 2.653 448 S HA 0.006 4.469 4.470 -0.011 0.000 0.259 448 S C 0.476 175.063 174.600 -0.021 0.000 1.076 448 S CA -0.497 57.695 58.200 -0.013 0.000 1.051 448 S CB 0.438 63.630 63.200 -0.013 0.000 0.994 448 S HN 0.396 nan 8.310 nan 0.000 0.552 449 D N 3.052 123.441 120.400 -0.019 0.000 2.662 449 D HA -0.055 4.579 4.640 -0.011 0.000 0.237 449 D C 0.779 177.042 176.300 -0.061 0.000 1.154 449 D CA 0.571 54.557 54.000 -0.023 0.000 0.861 449 D CB 0.577 41.380 40.800 0.003 0.000 1.146 449 D HN 0.243 nan 8.370 nan 0.000 0.518 450 K N 2.790 123.147 120.400 -0.071 0.000 2.066 450 K HA -0.210 4.104 4.320 -0.011 0.000 0.221 450 K C 0.721 177.221 176.600 -0.167 0.000 1.056 450 K CA 1.262 57.487 56.287 -0.103 0.000 0.950 450 K CB -0.099 32.341 32.500 -0.100 0.000 0.726 450 K HN 0.410 nan 8.250 nan 0.000 0.456 451 K N 0.900 121.140 120.400 -0.267 0.000 2.447 451 K HA 0.036 4.349 4.320 -0.011 0.000 0.281 451 K C 1.019 177.425 176.600 -0.324 0.000 1.031 451 K CA 0.358 56.381 56.287 -0.440 0.000 1.019 451 K CB 1.175 33.124 32.500 -0.918 0.000 0.918 451 K HN 0.231 nan 8.250 nan 0.000 0.476 452 A N 4.588 127.242 122.820 -0.276 0.000 1.883 452 A HA -0.169 4.145 4.320 -0.011 0.000 0.217 452 A C 2.008 179.516 177.584 -0.126 0.000 1.186 452 A CA 1.365 53.304 52.037 -0.163 0.000 0.624 452 A CB -0.443 18.475 19.000 -0.137 0.000 0.822 452 A HN 0.721 nan 8.150 nan 0.000 0.444 453 L N -0.212 120.903 121.223 -0.179 0.000 2.353 453 L HA -0.146 4.188 4.340 -0.011 0.000 0.220 453 L C 2.229 179.133 176.870 0.057 0.000 1.133 453 L CA 0.597 55.400 54.840 -0.063 0.000 0.798 453 L CB -0.433 41.563 42.059 -0.104 0.000 0.922 453 L HN 0.295 nan 8.230 nan 0.000 0.445 454 V N -0.729 119.193 119.914 0.014 0.000 2.379 454 V HA -0.147 3.967 4.120 -0.011 0.000 0.243 454 V C 2.485 178.628 176.094 0.081 0.000 1.035 454 V CA 1.223 63.582 62.300 0.098 0.000 1.035 454 V CB -0.510 31.363 31.823 0.083 0.000 0.673 454 V HN 0.374 nan 8.190 nan 0.000 0.457 455 R N 0.354 120.874 120.500 0.033 0.000 2.083 455 R HA -0.160 4.173 4.340 -0.011 0.000 0.237 455 R C 2.638 178.982 176.300 0.074 0.000 1.137 455 R CA 1.638 57.764 56.100 0.042 0.000 0.951 455 R CB -0.799 29.509 30.300 0.013 0.000 0.851 455 R HN 0.486 nan 8.270 nan 0.000 0.434 456 S N 1.166 116.904 115.700 0.062 0.000 2.452 456 S HA -0.276 4.187 4.470 -0.011 0.000 0.253 456 S C 1.908 176.593 174.600 0.142 0.000 1.061 456 S CA 2.036 60.288 58.200 0.086 0.000 1.273 456 S CB -0.417 62.821 63.200 0.063 0.000 1.191 456 S HN 0.302 nan 8.310 nan 0.000 0.430 457 I N 1.480 122.149 120.570 0.165 0.000 2.151 457 I HA -0.170 3.993 4.170 -0.011 0.000 0.243 457 I C 2.365 178.647 176.117 0.275 0.000 1.080 457 I CA 2.583 64.018 61.300 0.224 0.000 1.339 457 I CB -1.246 36.889 38.000 0.225 0.000 1.039 457 I HN 0.461 nan 8.210 nan 0.000 0.409 458 T N 0.249 114.926 114.554 0.206 0.000 2.680 458 T HA -0.322 4.022 4.350 -0.011 0.000 0.268 458 T C 2.059 176.874 174.700 0.192 0.000 1.033 458 T CA 1.905 64.114 62.100 0.181 0.000 1.152 458 T CB -1.222 67.717 68.868 0.119 0.000 0.859 458 T HN 0.511 nan 8.240 nan 0.000 0.452 459 C N -0.048 119.366 119.300 0.191 0.000 2.367 459 C HA -0.154 4.299 4.460 -0.011 0.000 0.276 459 C C 2.401 177.525 174.990 0.223 0.000 1.195 459 C CA 0.522 59.654 59.018 0.191 0.000 1.756 459 C CB -1.489 26.361 27.740 0.183 0.000 2.046 459 C HN 0.824 nan 8.230 nan 0.000 0.453 460 W N 1.483 122.838 121.300 0.091 0.000 2.333 460 W HA -0.199 4.457 4.660 -0.006 0.000 0.316 460 W C 2.470 179.042 176.519 0.088 0.000 1.215 460 W CA 2.531 59.923 57.345 0.079 0.000 1.278 460 W CB -0.914 28.587 29.460 0.068 0.000 1.154 460 W HN 0.250 nan 8.180 nan 0.000 0.486 461 T N 1.742 116.399 114.554 0.171 0.000 2.665 461 T HA -0.290 4.054 4.350 -0.011 0.000 0.268 461 T C 1.926 176.606 174.700 -0.034 0.000 1.035 461 T CA 2.144 64.218 62.100 -0.043 0.000 1.151 461 T CB -0.760 68.245 68.868 0.229 0.000 0.862 461 T HN 0.177 nan 8.240 nan 0.000 0.438 462 L N 1.266 122.534 121.223 0.075 0.000 2.012 462 L HA -0.155 4.179 4.340 -0.011 0.000 0.210 462 L C 2.871 179.771 176.870 0.050 0.000 1.073 462 L CA 1.676 56.586 54.840 0.116 0.000 0.748 462 L CB -0.585 41.549 42.059 0.124 0.000 0.891 462 L HN 0.397 nan 8.230 nan 0.000 0.431 463 S N -0.712 114.961 115.700 -0.046 0.000 2.447 463 S HA -0.160 4.303 4.470 -0.011 0.000 0.233 463 S C 1.989 176.466 174.600 -0.204 0.000 1.006 463 S CA 0.583 58.733 58.200 -0.085 0.000 0.957 463 S CB -0.368 62.794 63.200 -0.063 0.000 0.773 463 S HN 0.365 nan 8.310 nan 0.000 0.507 464 R N -0.503 119.754 120.500 -0.405 0.000 2.280 464 R HA 0.088 4.421 4.340 -0.011 0.000 0.207 464 R C 0.287 176.225 176.300 -0.603 0.000 1.043 464 R CA 0.841 56.580 56.100 -0.602 0.000 1.006 464 R CB -0.156 29.564 30.300 -0.966 0.000 0.885 464 R HN 0.617 nan 8.270 nan 0.000 0.467 465 Y N -1.408 118.836 120.300 -0.093 0.000 2.696 465 Y HA 0.296 4.838 4.550 -0.013 0.000 0.260 465 Y C 1.520 177.468 175.900 0.081 0.000 1.165 465 Y CA -0.336 57.770 58.100 0.011 0.000 1.189 465 Y CB 0.570 39.036 38.460 0.009 0.000 1.180 465 Y HN -0.026 nan 8.280 nan 0.000 0.538 466 A N -0.486 122.401 122.820 0.112 0.000 1.972 466 A HA -0.267 4.047 4.320 -0.011 0.000 0.219 466 A C 1.806 179.440 177.584 0.084 0.000 1.169 466 A CA 2.175 54.261 52.037 0.081 0.000 0.635 466 A CB -0.632 18.375 19.000 0.012 0.000 0.810 466 A HN 0.646 nan 8.150 nan 0.000 0.446 467 H N -2.294 116.809 119.070 0.054 0.000 2.270 467 H HA -0.210 4.329 4.556 -0.029 0.000 0.299 467 H C 1.760 177.141 175.328 0.088 0.000 1.077 467 H CA 2.480 58.558 56.048 0.049 0.000 1.294 467 H CB -0.434 29.351 29.762 0.039 0.000 1.371 467 H HN 0.639 nan 8.280 nan 0.000 0.491 468 W N 0.749 122.097 121.300 0.081 0.000 2.325 468 W HA -0.258 4.397 4.660 -0.007 0.000 0.299 468 W C 2.164 178.608 176.519 -0.124 0.000 1.215 468 W CA 2.224 59.566 57.345 -0.005 0.000 1.244 468 W CB -0.678 28.791 29.460 0.015 0.000 1.140 468 W HN 0.096 nan 8.180 nan 0.000 0.523 469 V N 0.952 120.839 119.914 -0.046 0.000 2.332 469 V HA -0.360 3.753 4.120 -0.011 0.000 0.248 469 V C 2.359 178.290 176.094 -0.271 0.000 1.055 469 V CA 2.480 64.659 62.300 -0.202 0.000 1.038 469 V CB -1.653 30.181 31.823 0.018 0.000 0.651 469 V HN 0.295 nan 8.190 nan 0.000 0.450 470 V N -2.129 117.640 119.914 -0.241 0.000 2.626 470 V HA -0.158 3.956 4.120 -0.011 0.000 0.252 470 V C 2.212 178.135 176.094 -0.286 0.000 1.067 470 V CA 2.115 64.273 62.300 -0.238 0.000 1.081 470 V CB -0.954 30.721 31.823 -0.248 0.000 0.686 470 V HN 0.483 nan 8.190 nan 0.000 0.468 471 S N -0.249 115.220 115.700 -0.385 0.000 2.402 471 S HA -0.032 4.432 4.470 -0.011 0.000 0.229 471 S C 0.989 175.366 174.600 -0.372 0.000 1.021 471 S CA 0.862 58.850 58.200 -0.353 0.000 0.974 471 S CB -0.356 62.639 63.200 -0.341 0.000 0.800 471 S HN 0.743 nan 8.310 nan 0.000 0.484 472 Q N 1.344 120.831 119.800 -0.522 0.000 2.243 472 Q HA 0.403 4.737 4.340 -0.011 0.000 0.252 472 Q C -2.730 173.167 176.000 -0.172 0.000 0.909 472 Q CA -2.807 52.746 55.803 -0.417 0.000 0.922 472 Q CB -0.297 28.005 28.738 -0.725 0.000 1.215 472 Q HN 0.067 nan 8.270 nan 0.000 0.427 473 P HA -0.100 nan 4.420 nan 0.000 0.264 473 P C -1.674 175.638 177.300 0.020 0.000 1.173 473 P CA -0.459 62.627 63.100 -0.023 0.000 0.761 473 P CB 0.121 31.815 31.700 -0.009 0.000 0.794 474 P HA -0.143 nan 4.420 nan 0.000 0.216 474 P C 0.479 177.791 177.300 0.019 0.000 1.153 474 P CA 1.441 64.573 63.100 0.053 0.000 0.844 474 P CB 0.030 31.810 31.700 0.134 0.000 0.787 475 D N -0.350 120.057 120.400 0.012 0.000 2.387 475 D HA -0.027 4.607 4.640 -0.011 0.000 0.257 475 D C 1.232 177.479 176.300 -0.088 0.000 1.198 475 D CA 0.989 54.971 54.000 -0.030 0.000 0.945 475 D CB -0.362 40.433 40.800 -0.009 0.000 0.907 475 D HN 0.375 nan 8.370 nan 0.000 0.518 476 T N -4.888 109.590 114.554 -0.127 0.000 3.236 476 T HA 0.071 4.414 4.350 -0.011 0.000 0.265 476 T C 1.414 175.798 174.700 -0.526 0.000 0.912 476 T CA -0.207 61.694 62.100 -0.333 0.000 0.946 476 T CB 0.142 68.782 68.868 -0.380 0.000 1.241 476 T HN 0.110 nan 8.240 nan 0.000 0.513 477 Y N 0.005 120.276 120.300 -0.048 0.000 2.921 477 Y HA 0.513 5.057 4.550 -0.010 0.000 0.246 477 Y C 1.898 177.778 175.900 -0.034 0.000 1.030 477 Y CA -0.468 57.611 58.100 -0.035 0.000 1.338 477 Y CB -0.043 38.367 38.460 -0.084 0.000 1.493 477 Y HN 0.089 nan 8.280 nan 0.000 0.452 478 L N 1.560 122.854 121.223 0.117 0.000 1.988 478 L HA -0.105 4.228 4.340 -0.011 0.000 0.207 478 L C 2.295 179.162 176.870 -0.004 0.000 1.071 478 L CA 2.231 57.102 54.840 0.052 0.000 0.744 478 L CB -0.796 41.283 42.059 0.034 0.000 0.893 478 L HN 0.152 nan 8.230 nan 0.000 0.433 479 K N 0.139 120.501 120.400 -0.063 0.000 2.034 479 K HA -0.167 4.147 4.320 -0.011 0.000 0.214 479 K C -0.521 175.976 176.600 -0.171 0.000 1.051 479 K CA 2.391 58.542 56.287 -0.227 0.000 0.931 479 K CB -1.688 30.646 32.500 -0.277 0.000 0.715 479 K HN 0.277 nan 8.250 nan 0.000 0.446 480 P HA -0.169 nan 4.420 nan 0.000 0.214 480 P C 1.429 178.715 177.300 -0.023 0.000 1.163 480 P CA 1.196 64.254 63.100 -0.071 0.000 0.889 480 P CB -0.115 31.552 31.700 -0.055 0.000 0.790 481 L N -1.050 120.186 121.223 0.022 0.000 1.970 481 L HA -0.159 4.174 4.340 -0.011 0.000 0.212 481 L C 2.430 179.353 176.870 0.087 0.000 1.071 481 L CA 1.990 56.871 54.840 0.069 0.000 0.751 481 L CB -1.455 40.664 42.059 0.100 0.000 0.889 481 L HN -0.104 nan 8.230 nan 0.000 0.432 482 M N -1.165 118.486 119.600 0.084 0.000 2.110 482 M HA -0.294 4.179 4.480 -0.011 0.000 0.257 482 M C 2.096 178.460 176.300 0.107 0.000 1.071 482 M CA 2.794 58.199 55.300 0.176 0.000 1.096 482 M CB -0.586 32.078 32.600 0.107 0.000 1.300 482 M HN 0.431 nan 8.290 nan 0.000 0.411 483 T N 0.932 115.469 114.554 -0.027 0.000 2.570 483 T HA -0.215 4.128 4.350 -0.011 0.000 0.266 483 T C 1.704 176.392 174.700 -0.020 0.000 1.071 483 T CA 1.969 64.032 62.100 -0.063 0.000 1.172 483 T CB -0.505 68.295 68.868 -0.113 0.000 0.864 483 T HN 0.454 nan 8.240 nan 0.000 0.421 484 E N 0.415 120.613 120.200 -0.003 0.000 2.110 484 E HA -0.065 4.278 4.350 -0.011 0.000 0.193 484 E C 2.238 178.853 176.600 0.025 0.000 0.988 484 E CA 0.647 57.052 56.400 0.009 0.000 0.804 484 E CB -0.352 29.358 29.700 0.017 0.000 0.745 484 E HN 0.244 nan 8.360 nan 0.000 0.458 485 L N 0.585 121.845 121.223 0.062 0.000 2.017 485 L HA -0.142 4.191 4.340 -0.011 0.000 0.208 485 L C 2.455 179.296 176.870 -0.048 0.000 1.073 485 L CA 1.249 56.138 54.840 0.080 0.000 0.745 485 L CB -1.025 41.186 42.059 0.253 0.000 0.894 485 L HN 0.139 nan 8.230 nan 0.000 0.432 486 L N -0.993 120.151 121.223 -0.132 0.000 2.127 486 L HA -0.278 4.056 4.340 -0.011 0.000 0.211 486 L C 2.526 179.328 176.870 -0.113 0.000 1.089 486 L CA 1.239 55.939 54.840 -0.233 0.000 0.757 486 L CB -0.502 41.456 42.059 -0.169 0.000 0.899 486 L HN 0.295 nan 8.230 nan 0.000 0.434 487 K N -0.451 119.916 120.400 -0.055 0.000 2.025 487 K HA -0.149 4.165 4.320 -0.011 0.000 0.207 487 K C 2.232 178.824 176.600 -0.014 0.000 1.049 487 K CA 1.006 57.275 56.287 -0.031 0.000 0.933 487 K CB -0.114 32.375 32.500 -0.018 0.000 0.714 487 K HN 0.030 nan 8.250 nan 0.000 0.438 488 R N 1.246 121.746 120.500 0.000 0.000 2.189 488 R HA 0.067 4.401 4.340 -0.011 0.000 0.223 488 R C 1.940 178.268 176.300 0.047 0.000 1.092 488 R CA 0.659 56.775 56.100 0.027 0.000 0.989 488 R CB -0.519 29.807 30.300 0.044 0.000 0.876 488 R HN 0.259 nan 8.270 nan 0.000 0.457 489 I N -0.317 120.266 120.570 0.021 0.000 2.226 489 I HA -0.260 3.903 4.170 -0.011 0.000 0.245 489 I C 0.846 177.045 176.117 0.136 0.000 1.100 489 I CA 1.135 62.476 61.300 0.068 0.000 1.374 489 I CB -0.088 37.880 38.000 -0.052 0.000 1.057 489 I HN 0.064 nan 8.210 nan 0.000 0.413 490 L N 0.219 121.486 121.223 0.073 0.000 2.629 490 L HA 0.098 4.432 4.340 -0.011 0.000 0.230 490 L C 0.705 177.635 176.870 0.100 0.000 1.151 490 L CA 0.272 55.179 54.840 0.111 0.000 0.924 490 L CB -0.753 41.345 42.059 0.065 0.000 1.137 490 L HN 0.107 nan 8.230 nan 0.000 0.457 491 D N -0.236 120.213 120.400 0.081 0.000 2.548 491 D HA -0.106 4.528 4.640 -0.011 0.000 0.231 491 D C 1.359 177.696 176.300 0.061 0.000 1.142 491 D CA 0.687 54.719 54.000 0.053 0.000 0.866 491 D CB 1.233 42.057 40.800 0.041 0.000 1.190 491 D HN 0.292 nan 8.370 nan 0.000 0.469 492 S N 2.939 118.662 115.700 0.037 0.000 2.423 492 S HA -0.176 4.287 4.470 -0.011 0.000 0.231 492 S C 1.016 175.629 174.600 0.022 0.000 1.014 492 S CA 0.215 58.436 58.200 0.035 0.000 0.965 492 S CB -0.172 63.038 63.200 0.018 0.000 0.785 492 S HN 0.638 nan 8.310 nan 0.000 0.495 493 N N 1.492 120.195 118.700 0.006 0.000 2.406 493 N HA 0.116 4.849 4.740 -0.011 0.000 0.251 493 N C 0.594 176.097 175.510 -0.011 0.000 1.069 493 N CA -0.229 52.814 53.050 -0.011 0.000 0.947 493 N CB 0.494 38.964 38.487 -0.029 0.000 1.111 493 N HN 0.243 nan 8.380 nan 0.000 0.497 494 K N 2.200 122.589 120.400 -0.019 0.000 2.127 494 K HA -0.279 4.035 4.320 -0.011 0.000 0.212 494 K C 1.809 178.372 176.600 -0.062 0.000 1.050 494 K CA 1.643 57.902 56.287 -0.047 0.000 0.929 494 K CB -0.057 32.413 32.500 -0.049 0.000 0.715 494 K HN 0.440 nan 8.250 nan 0.000 0.457 495 R N 1.185 121.660 120.500 -0.041 0.000 2.096 495 R HA -0.104 4.229 4.340 -0.011 0.000 0.235 495 R C 1.788 178.080 176.300 -0.014 0.000 1.127 495 R CA 1.380 57.462 56.100 -0.030 0.000 0.968 495 R CB -0.417 29.868 30.300 -0.024 0.000 0.861 495 R HN 0.044 nan 8.270 nan 0.000 0.440 496 V N 0.710 120.620 119.914 -0.007 0.000 2.719 496 V HA -0.136 3.977 4.120 -0.011 0.000 0.252 496 V C 2.133 178.246 176.094 0.030 0.000 1.065 496 V CA 1.610 63.921 62.300 0.017 0.000 1.086 496 V CB -0.492 31.339 31.823 0.013 0.000 0.700 496 V HN 0.371 nan 8.190 nan 0.000 0.467 497 Q N 0.096 119.902 119.800 0.011 0.000 2.061 497 Q HA -0.259 4.074 4.340 -0.011 0.000 0.204 497 Q C 2.354 178.343 176.000 -0.018 0.000 0.984 497 Q CA 1.974 57.788 55.803 0.019 0.000 0.846 497 Q CB -0.238 28.456 28.738 -0.073 0.000 0.902 497 Q HN 0.659 nan 8.270 nan 0.000 0.421 498 E N 0.371 120.526 120.200 -0.075 0.000 2.033 498 E HA -0.265 4.079 4.350 -0.011 0.000 0.199 498 E C 1.973 178.594 176.600 0.035 0.000 1.011 498 E CA 1.230 57.595 56.400 -0.057 0.000 0.815 498 E CB -0.096 29.572 29.700 -0.054 0.000 0.755 498 E HN 0.358 nan 8.360 nan 0.000 0.451 499 A N 1.354 124.212 122.820 0.063 0.000 1.835 499 A HA -0.157 4.156 4.320 -0.011 0.000 0.215 499 A C 2.440 180.114 177.584 0.150 0.000 1.199 499 A CA 2.326 54.437 52.037 0.123 0.000 0.615 499 A CB -1.114 17.967 19.000 0.135 0.000 0.838 499 A HN 0.409 nan 8.150 nan 0.000 0.444 500 A N -0.960 121.940 122.820 0.133 0.000 1.870 500 A HA -0.343 3.970 4.320 -0.011 0.000 0.219 500 A C 2.484 180.186 177.584 0.196 0.000 1.224 500 A CA 2.254 54.382 52.037 0.151 0.000 0.650 500 A CB -1.616 17.452 19.000 0.113 0.000 0.836 500 A HN 0.938 nan 8.150 nan 0.000 0.454 501 C N -0.058 119.351 119.300 0.182 0.000 2.413 501 C HA -0.088 4.366 4.460 -0.011 0.000 0.277 501 C C 3.434 178.571 174.990 0.245 0.000 1.265 501 C CA 1.981 61.135 59.018 0.227 0.000 1.752 501 C CB -1.443 26.449 27.740 0.252 0.000 1.998 501 C HN 0.803 nan 8.230 nan 0.000 0.489 502 S N 1.168 116.980 115.700 0.186 0.000 2.357 502 S HA 0.008 4.471 4.470 -0.011 0.000 0.221 502 S C 2.192 176.901 174.600 0.181 0.000 1.031 502 S CA 1.423 59.725 58.200 0.170 0.000 0.982 502 S CB -0.859 62.430 63.200 0.148 0.000 0.853 502 S HN 0.773 nan 8.310 nan 0.000 0.458 503 A N 0.879 123.817 122.820 0.198 0.000 1.986 503 A HA 0.001 4.314 4.320 -0.011 0.000 0.220 503 A C 1.983 179.667 177.584 0.167 0.000 1.171 503 A CA 1.615 53.755 52.037 0.171 0.000 0.640 503 A CB -1.123 17.987 19.000 0.184 0.000 0.811 503 A HN 0.602 nan 8.150 nan 0.000 0.451 504 F N 0.580 120.578 119.950 0.080 0.000 2.113 504 F HA 0.025 4.550 4.527 -0.003 0.000 0.297 504 F C 2.597 178.436 175.800 0.064 0.000 1.103 504 F CA 0.921 58.963 58.000 0.070 0.000 1.248 504 F CB -0.565 38.480 39.000 0.076 0.000 0.999 504 F HN 0.269 nan 8.300 nan 0.000 0.475 505 A N -0.109 122.812 122.820 0.168 0.000 1.869 505 A HA -0.312 4.002 4.320 -0.011 0.000 0.218 505 A C 2.202 179.768 177.584 -0.031 0.000 1.203 505 A CA 2.951 55.029 52.037 0.069 0.000 0.638 505 A CB -1.597 17.473 19.000 0.116 0.000 0.831 505 A HN 0.457 nan 8.150 nan 0.000 0.450 506 T N -0.168 114.385 114.554 -0.001 0.000 2.699 506 T HA -0.186 4.158 4.350 -0.011 0.000 0.268 506 T C 1.804 176.456 174.700 -0.079 0.000 1.036 506 T CA 1.579 63.666 62.100 -0.023 0.000 1.147 506 T CB -0.410 68.457 68.868 -0.002 0.000 0.862 506 T HN 0.308 nan 8.240 nan 0.000 0.446 507 L N 1.183 122.319 121.223 -0.146 0.000 2.056 507 L HA -0.051 4.282 4.340 -0.011 0.000 0.207 507 L C 2.439 179.165 176.870 -0.240 0.000 1.078 507 L CA 1.723 56.445 54.840 -0.197 0.000 0.749 507 L CB -0.542 41.353 42.059 -0.274 0.000 0.901 507 L HN 0.261 nan 8.230 nan 0.000 0.433 508 E N -0.603 119.395 120.200 -0.337 0.000 2.058 508 E HA -0.323 4.021 4.350 -0.011 0.000 0.194 508 E C 2.071 178.592 176.600 -0.132 0.000 0.997 508 E CA 1.561 57.803 56.400 -0.263 0.000 0.801 508 E CB -0.259 29.297 29.700 -0.239 0.000 0.746 508 E HN 0.597 nan 8.360 nan 0.000 0.450 509 E N 0.515 120.659 120.200 -0.094 0.000 2.097 509 E HA -0.241 4.103 4.350 -0.011 0.000 0.196 509 E C 1.997 178.571 176.600 -0.044 0.000 1.000 509 E CA 1.169 57.539 56.400 -0.051 0.000 0.804 509 E CB 0.188 29.870 29.700 -0.030 0.000 0.740 509 E HN 0.184 nan 8.360 nan 0.000 0.454 510 E N -0.430 119.737 120.200 -0.055 0.000 2.112 510 E HA -0.073 4.271 4.350 -0.011 0.000 0.190 510 E C 1.126 177.673 176.600 -0.089 0.000 0.979 510 E CA 0.835 57.203 56.400 -0.053 0.000 0.814 510 E CB 0.056 29.723 29.700 -0.054 0.000 0.762 510 E HN 0.210 nan 8.360 nan 0.000 0.460 511 A N 0.976 123.736 122.820 -0.099 0.000 2.734 511 A HA 0.136 4.449 4.320 -0.011 0.000 0.279 511 A C 1.659 179.198 177.584 -0.074 0.000 1.386 511 A CA -0.303 51.678 52.037 -0.093 0.000 0.987 511 A CB -1.102 17.843 19.000 -0.092 0.000 1.041 511 A HN 0.173 nan 8.150 nan 0.000 0.569 512 C N -0.527 118.736 119.300 -0.062 0.000 2.207 512 C HA -0.297 4.156 4.460 -0.011 0.000 0.239 512 C C 3.005 177.971 174.990 -0.040 0.000 1.075 512 C CA 2.373 61.365 59.018 -0.042 0.000 1.781 512 C CB -1.200 26.523 27.740 -0.028 0.000 1.475 512 C HN 0.827 nan 8.230 nan 0.000 0.357 513 T N -1.813 112.716 114.554 -0.042 0.000 3.086 513 T HA 0.105 4.448 4.350 -0.011 0.000 0.250 513 T C 1.148 175.780 174.700 -0.114 0.000 1.074 513 T CA 0.499 62.559 62.100 -0.067 0.000 0.988 513 T CB -0.235 68.602 68.868 -0.052 0.000 0.988 513 T HN 0.568 nan 8.240 nan 0.000 0.530 514 E N 1.225 121.373 120.200 -0.087 0.000 2.338 514 E HA 0.077 4.420 4.350 -0.011 0.000 0.197 514 E C 1.798 178.357 176.600 -0.068 0.000 1.007 514 E CA 0.492 56.842 56.400 -0.085 0.000 0.849 514 E CB -0.106 29.563 29.700 -0.051 0.000 0.774 514 E HN 0.600 nan 8.360 nan 0.000 0.506 515 L N -0.068 121.125 121.223 -0.049 0.000 2.270 515 L HA -0.085 4.248 4.340 -0.011 0.000 0.210 515 L C 2.397 179.230 176.870 -0.062 0.000 1.104 515 L CA 0.184 55.028 54.840 0.007 0.000 0.804 515 L CB -0.391 41.671 42.059 0.006 0.000 0.937 515 L HN -0.061 nan 8.230 nan 0.000 0.450 516 V N 0.769 120.600 119.914 -0.140 0.000 2.250 516 V HA -0.260 3.853 4.120 -0.011 0.000 0.253 516 V C 0.059 176.052 176.094 -0.167 0.000 1.065 516 V CA 2.419 64.612 62.300 -0.179 0.000 1.039 516 V CB -1.855 29.776 31.823 -0.319 0.000 0.647 516 V HN 0.360 nan 8.190 nan 0.000 0.446 517 P HA -0.169 nan 4.420 nan 0.000 0.216 517 P C 1.031 178.192 177.300 -0.232 0.000 1.153 517 P CA 1.585 64.471 63.100 -0.356 0.000 0.858 517 P CB -0.147 31.132 31.700 -0.701 0.000 0.789 518 Y N -1.631 118.686 120.300 0.028 0.000 2.596 518 Y HA 0.182 4.725 4.550 -0.012 0.000 0.316 518 Y C 1.912 177.903 175.900 0.151 0.000 1.156 518 Y CA -0.548 57.586 58.100 0.057 0.000 1.300 518 Y CB -0.614 37.833 38.460 -0.022 0.000 1.130 518 Y HN -0.065 nan 8.280 nan 0.000 0.518 519 L N -0.140 121.210 121.223 0.212 0.000 2.049 519 L HA -0.127 4.206 4.340 -0.011 0.000 0.203 519 L C 2.561 179.528 176.870 0.162 0.000 1.074 519 L CA 1.085 55.971 54.840 0.078 0.000 0.749 519 L CB -0.343 41.596 42.059 -0.201 0.000 0.907 519 L HN 0.408 nan 8.230 nan 0.000 0.439 520 A N -0.767 122.262 122.820 0.349 0.000 1.986 520 A HA -0.288 4.025 4.320 -0.011 0.000 0.220 520 A C 1.925 179.611 177.584 0.171 0.000 1.171 520 A CA 1.774 54.017 52.037 0.343 0.000 0.640 520 A CB -0.879 18.279 19.000 0.263 0.000 0.811 520 A HN 0.488 nan 8.150 nan 0.000 0.451 521 Y N -0.090 120.293 120.300 0.138 0.000 2.184 521 Y HA -0.137 4.407 4.550 -0.011 0.000 0.290 521 Y C 2.400 178.338 175.900 0.065 0.000 1.129 521 Y CA 1.100 59.255 58.100 0.092 0.000 1.144 521 Y CB -0.278 38.239 38.460 0.094 0.000 0.995 521 Y HN 0.177 nan 8.280 nan 0.000 0.513 522 I N 0.099 120.826 120.570 0.261 0.000 2.068 522 I HA -0.347 3.817 4.170 -0.011 0.000 0.238 522 I C 2.348 178.524 176.117 0.097 0.000 1.046 522 I CA 1.759 63.159 61.300 0.167 0.000 1.306 522 I CB -1.595 36.539 38.000 0.223 0.000 1.023 522 I HN 0.271 nan 8.210 nan 0.000 0.399 523 L N 0.333 121.617 121.223 0.101 0.000 2.012 523 L HA -0.276 4.057 4.340 -0.011 0.000 0.210 523 L C 2.497 179.411 176.870 0.074 0.000 1.073 523 L CA 1.759 56.651 54.840 0.086 0.000 0.748 523 L CB -0.715 41.404 42.059 0.100 0.000 0.891 523 L HN 0.314 nan 8.230 nan 0.000 0.431 524 D N -0.160 120.278 120.400 0.063 0.000 2.127 524 D HA -0.254 4.380 4.640 -0.011 0.000 0.190 524 D C 2.184 178.508 176.300 0.041 0.000 1.000 524 D CA 2.369 56.389 54.000 0.033 0.000 0.839 524 D CB -0.077 40.707 40.800 -0.027 0.000 0.955 524 D HN 0.387 nan 8.370 nan 0.000 0.446 525 T N -1.419 113.148 114.554 0.021 0.000 2.904 525 T HA -0.081 4.263 4.350 -0.011 0.000 0.267 525 T C 2.444 177.151 174.700 0.011 0.000 1.059 525 T CA 0.876 62.978 62.100 0.003 0.000 1.137 525 T CB -0.580 68.259 68.868 -0.048 0.000 0.879 525 T HN 0.170 nan 8.240 nan 0.000 0.467 526 L N 1.536 122.759 121.223 0.000 0.000 2.217 526 L HA 0.083 4.416 4.340 -0.011 0.000 0.211 526 L C 2.707 179.612 176.870 0.058 0.000 1.107 526 L CA 1.035 55.871 54.840 -0.006 0.000 0.783 526 L CB -0.124 41.956 42.059 0.035 0.000 0.919 526 L HN 0.421 nan 8.230 nan 0.000 0.442 527 V N -4.915 115.057 119.914 0.096 0.000 2.878 527 V HA -0.130 3.983 4.120 -0.011 0.000 0.250 527 V C 2.141 178.303 176.094 0.113 0.000 1.075 527 V CA 0.804 63.175 62.300 0.118 0.000 1.096 527 V CB -0.942 30.915 31.823 0.056 0.000 0.724 527 V HN 0.321 nan 8.190 nan 0.000 0.467 528 F N 2.481 122.418 119.950 -0.022 0.000 2.206 528 F HA 0.194 4.714 4.527 -0.012 0.000 0.298 528 F C 2.422 178.164 175.800 -0.096 0.000 1.090 528 F CA 1.333 59.310 58.000 -0.038 0.000 1.323 528 F CB -0.434 38.538 39.000 -0.047 0.000 1.028 528 F HN 0.191 nan 8.300 nan 0.000 0.492 529 A N -0.481 122.298 122.820 -0.069 0.000 2.076 529 A HA -0.237 4.077 4.320 -0.011 0.000 0.220 529 A C 2.052 179.278 177.584 -0.596 0.000 1.160 529 A CA 1.446 53.190 52.037 -0.488 0.000 0.653 529 A CB -1.580 17.029 19.000 -0.652 0.000 0.801 529 A HN 0.536 nan 8.150 nan 0.000 0.455 530 F N 0.793 120.507 119.950 -0.392 0.000 2.456 530 F HA -0.076 4.444 4.527 -0.012 0.000 0.298 530 F C 2.024 177.673 175.800 -0.251 0.000 1.104 530 F CA 1.499 59.322 58.000 -0.295 0.000 1.435 530 F CB 0.301 39.183 39.000 -0.195 0.000 1.078 530 F HN 0.290 nan 8.300 nan 0.000 0.546 531 S N -1.833 113.782 115.700 -0.142 0.000 2.663 531 S HA 0.201 4.665 4.470 -0.011 0.000 0.243 531 S C 1.049 175.487 174.600 -0.269 0.000 1.009 531 S CA -0.548 57.552 58.200 -0.167 0.000 0.988 531 S CB 0.323 63.398 63.200 -0.209 0.000 0.896 531 S HN 0.318 nan 8.310 nan 0.000 0.502 532 K N -0.148 120.094 120.400 -0.263 0.000 2.511 532 K HA 0.261 4.574 4.320 -0.011 0.000 0.209 532 K C -0.875 175.779 176.600 0.091 0.000 1.301 532 K CA -0.114 56.095 56.287 -0.131 0.000 0.967 532 K CB 0.477 32.887 32.500 -0.150 0.000 1.109 532 K HN 0.263 nan 8.250 nan 0.000 0.561 533 Y N 3.253 123.467 120.300 -0.144 0.000 2.335 533 Y HA 0.039 4.582 4.550 -0.012 0.000 0.331 533 Y C 1.264 177.098 175.900 -0.110 0.000 1.094 533 Y CA -1.102 56.916 58.100 -0.136 0.000 1.253 533 Y CB 0.935 39.264 38.460 -0.218 0.000 1.203 533 Y HN 0.199 nan 8.280 nan 0.000 0.508 534 Q N 2.572 122.404 119.800 0.054 0.000 3.038 534 Q HA 0.043 4.376 4.340 -0.011 0.000 0.261 534 Q C 1.167 177.205 176.000 0.063 0.000 1.159 534 Q CA 0.415 56.248 55.803 0.049 0.000 0.357 534 Q CB -0.185 28.577 28.738 0.040 0.000 5.667 534 Q HN 0.811 nan 8.270 nan 0.000 0.325 535 H N 0.268 119.312 119.070 -0.044 0.000 2.290 535 H HA 0.018 4.568 4.556 -0.010 0.000 0.306 535 H C 2.126 177.434 175.328 -0.034 0.000 1.049 535 H CA 1.735 57.766 56.048 -0.029 0.000 1.288 535 H CB 0.288 30.039 29.762 -0.018 0.000 1.406 535 H HN 0.439 nan 8.280 nan 0.000 0.515 536 K N 0.358 120.739 120.400 -0.031 0.000 2.167 536 K HA -0.067 4.246 4.320 -0.011 0.000 0.203 536 K C 1.827 178.355 176.600 -0.120 0.000 1.052 536 K CA 0.761 56.995 56.287 -0.089 0.000 0.956 536 K CB 0.093 32.575 32.500 -0.029 0.000 0.735 536 K HN 0.293 nan 8.250 nan 0.000 0.451 537 N N 1.257 119.843 118.700 -0.191 0.000 2.258 537 N HA -0.194 4.540 4.740 -0.011 0.000 0.187 537 N C 1.708 177.051 175.510 -0.277 0.000 1.012 537 N CA 1.003 53.816 53.050 -0.395 0.000 0.870 537 N CB -0.095 37.950 38.487 -0.737 0.000 0.977 537 N HN 0.193 nan 8.380 nan 0.000 0.434 538 L N 1.023 122.154 121.223 -0.153 0.000 2.044 538 L HA -0.059 4.275 4.340 -0.011 0.000 0.205 538 L C 1.876 178.664 176.870 -0.137 0.000 1.075 538 L CA 1.207 55.946 54.840 -0.168 0.000 0.747 538 L CB -0.654 41.284 42.059 -0.203 0.000 0.903 538 L HN -0.046 nan 8.230 nan 0.000 0.435 539 L N -0.247 120.975 121.223 -0.001 0.000 2.042 539 L HA -0.237 4.096 4.340 -0.011 0.000 0.210 539 L C 2.506 179.456 176.870 0.132 0.000 1.076 539 L CA 1.829 56.760 54.840 0.151 0.000 0.749 539 L CB -1.135 40.958 42.059 0.056 0.000 0.893 539 L HN 0.265 nan 8.230 nan 0.000 0.432 540 I N -1.320 119.283 120.570 0.055 0.000 2.179 540 I HA -0.322 3.841 4.170 -0.011 0.000 0.242 540 I C 2.468 178.655 176.117 0.116 0.000 1.088 540 I CA 0.936 62.284 61.300 0.081 0.000 1.357 540 I CB -0.355 37.675 38.000 0.050 0.000 1.051 540 I HN 0.220 nan 8.210 nan 0.000 0.409 541 L N 0.330 121.604 121.223 0.086 0.000 2.012 541 L HA -0.271 4.062 4.340 -0.011 0.000 0.210 541 L C 2.447 179.335 176.870 0.029 0.000 1.073 541 L CA 1.963 56.819 54.840 0.027 0.000 0.748 541 L CB -0.823 41.136 42.059 -0.166 0.000 0.891 541 L HN 0.161 nan 8.230 nan 0.000 0.431 542 Y N -0.597 119.705 120.300 0.003 0.000 2.151 542 Y HA -0.365 4.177 4.550 -0.012 0.000 0.284 542 Y C 2.507 178.458 175.900 0.085 0.000 1.166 542 Y CA 1.551 59.690 58.100 0.065 0.000 1.163 542 Y CB -0.239 38.250 38.460 0.047 0.000 0.974 542 Y HN 0.356 nan 8.280 nan 0.000 0.511 543 D N -0.584 119.961 120.400 0.240 0.000 2.183 543 D HA -0.118 4.516 4.640 -0.011 0.000 0.203 543 D C 2.093 178.485 176.300 0.153 0.000 0.969 543 D CA 1.040 55.138 54.000 0.164 0.000 0.842 543 D CB -0.149 40.726 40.800 0.126 0.000 0.957 543 D HN 0.269 nan 8.370 nan 0.000 0.484 544 A N -0.079 122.845 122.820 0.173 0.000 1.972 544 A HA -0.080 4.233 4.320 -0.011 0.000 0.219 544 A C 2.251 179.949 177.584 0.190 0.000 1.169 544 A CA 0.908 53.066 52.037 0.203 0.000 0.635 544 A CB -0.559 18.596 19.000 0.258 0.000 0.810 544 A HN 0.340 nan 8.150 nan 0.000 0.446 545 I N -0.833 119.851 120.570 0.190 0.000 2.206 545 I HA -0.080 4.083 4.170 -0.011 0.000 0.239 545 I C 2.810 179.012 176.117 0.142 0.000 1.078 545 I CA 0.916 62.327 61.300 0.185 0.000 1.367 545 I CB -0.928 37.221 38.000 0.248 0.000 1.078 545 I HN 0.356 nan 8.210 nan 0.000 0.413 546 G N 0.672 109.561 108.800 0.147 0.000 2.574 546 G HA2 -0.315 3.639 3.960 -0.011 0.000 0.220 546 G HA3 -0.315 3.639 3.960 -0.011 0.000 0.220 546 G C 1.634 176.571 174.900 0.062 0.000 1.173 546 G CA 1.923 47.079 45.100 0.093 0.000 0.772 546 G HN 0.307 nan 8.290 nan 0.000 0.585 547 T N 1.030 115.625 114.554 0.069 0.000 2.684 547 T HA -0.165 4.179 4.350 -0.011 0.000 0.267 547 T C 2.240 176.956 174.700 0.027 0.000 1.036 547 T CA 1.301 63.424 62.100 0.039 0.000 1.148 547 T CB -0.362 68.529 68.868 0.039 0.000 0.863 547 T HN 0.148 nan 8.240 nan 0.000 0.436 548 L N 1.687 122.941 121.223 0.051 0.000 1.978 548 L HA -0.154 4.180 4.340 -0.011 0.000 0.218 548 L C 2.664 179.544 176.870 0.016 0.000 1.075 548 L CA 2.360 57.224 54.840 0.040 0.000 0.767 548 L CB -1.286 40.825 42.059 0.086 0.000 0.890 548 L HN 0.260 nan 8.230 nan 0.000 0.434 549 A N -0.829 122.005 122.820 0.024 0.000 1.884 549 A HA -0.309 4.005 4.320 -0.011 0.000 0.219 549 A C 2.043 179.625 177.584 -0.004 0.000 1.197 549 A CA 2.228 54.269 52.037 0.007 0.000 0.637 549 A CB -1.178 17.828 19.000 0.011 0.000 0.827 549 A HN 0.620 nan 8.150 nan 0.000 0.450 550 D N -0.284 120.116 120.400 0.000 0.000 2.133 550 D HA -0.092 4.541 4.640 -0.011 0.000 0.195 550 D C 2.316 178.609 176.300 -0.011 0.000 0.997 550 D CA 1.744 55.739 54.000 -0.008 0.000 0.840 550 D CB -0.264 40.533 40.800 -0.006 0.000 0.947 550 D HN 0.467 nan 8.370 nan 0.000 0.452 551 S N -0.387 115.306 115.700 -0.011 0.000 2.388 551 S HA -0.057 4.406 4.470 -0.011 0.000 0.223 551 S C 2.214 176.810 174.600 -0.006 0.000 1.034 551 S CA 0.859 59.050 58.200 -0.016 0.000 0.963 551 S CB 0.052 63.234 63.200 -0.031 0.000 0.827 551 S HN 0.318 nan 8.310 nan 0.000 0.481 552 V N -0.323 119.586 119.914 -0.008 0.000 3.354 552 V HA 0.451 4.565 4.120 -0.011 0.000 0.258 552 V C 1.321 177.409 176.094 -0.011 0.000 1.159 552 V CA 0.549 62.855 62.300 0.009 0.000 1.125 552 V CB -1.451 30.359 31.823 -0.022 0.000 0.774 552 V HN 0.509 nan 8.190 nan 0.000 0.464 553 G N 2.198 110.979 108.800 -0.032 0.000 2.611 553 G HA2 -0.447 3.506 3.960 -0.011 0.000 0.301 553 G HA3 -0.447 3.506 3.960 -0.011 0.000 0.301 553 G C 0.980 175.822 174.900 -0.095 0.000 1.233 553 G CA 1.255 46.325 45.100 -0.049 0.000 0.993 553 G HN 1.172 nan 8.290 nan 0.000 0.553 554 H N 0.794 119.775 119.070 -0.148 0.000 2.518 554 H HA -0.050 4.496 4.556 -0.016 0.000 0.289 554 H C 1.955 177.222 175.328 -0.101 0.000 1.051 554 H CA 1.831 57.797 56.048 -0.137 0.000 1.280 554 H CB -0.525 29.134 29.762 -0.173 0.000 1.380 554 H HN 0.698 nan 8.280 nan 0.000 0.566 555 H N 0.285 119.062 119.070 -0.489 0.000 2.561 555 H HA -0.031 4.514 4.556 -0.019 0.000 0.278 555 H C 1.889 177.190 175.328 -0.046 0.000 1.014 555 H CA 0.635 56.515 56.048 -0.280 0.000 1.211 555 H CB 0.109 29.694 29.762 -0.296 0.000 1.365 555 H HN 0.339 nan 8.280 nan 0.000 0.594 556 L N 0.766 122.016 121.223 0.045 0.000 2.558 556 L HA 0.032 4.365 4.340 -0.011 0.000 0.225 556 L C 1.796 178.802 176.870 0.227 0.000 1.128 556 L CA 0.448 55.326 54.840 0.063 0.000 0.868 556 L CB -0.236 41.823 42.059 0.001 0.000 1.006 556 L HN 0.060 nan 8.230 nan 0.000 0.454 557 N N 0.155 118.979 118.700 0.207 0.000 2.459 557 N HA -0.094 4.639 4.740 -0.011 0.000 0.181 557 N C 0.038 175.670 175.510 0.203 0.000 1.046 557 N CA 0.272 53.441 53.050 0.199 0.000 0.904 557 N CB 0.180 38.770 38.487 0.171 0.000 0.964 557 N HN 0.286 nan 8.380 nan 0.000 0.444 558 K N 1.592 122.144 120.400 0.253 0.000 2.484 558 K HA -0.014 4.300 4.320 -0.011 0.000 0.280 558 K C -1.654 174.956 176.600 0.017 0.000 1.013 558 K CA -1.070 55.274 56.287 0.095 0.000 1.029 558 K CB 0.160 32.648 32.500 -0.021 0.000 0.902 558 K HN 0.045 nan 8.250 nan 0.000 0.481 559 P HA -0.275 nan 4.420 nan 0.000 0.215 559 P C 1.297 178.569 177.300 -0.047 0.000 1.163 559 P CA 1.542 64.636 63.100 -0.009 0.000 0.894 559 P CB 0.088 31.774 31.700 -0.023 0.000 0.791 560 E N -0.939 119.159 120.200 -0.169 0.000 2.219 560 E HA -0.246 4.097 4.350 -0.011 0.000 0.198 560 E C 1.693 178.240 176.600 -0.088 0.000 0.998 560 E CA 1.598 57.893 56.400 -0.176 0.000 0.818 560 E CB -1.368 28.174 29.700 -0.263 0.000 0.741 560 E HN 0.314 nan 8.360 nan 0.000 0.477 561 Y N 1.341 121.665 120.300 0.040 0.000 2.153 561 Y HA 0.019 4.564 4.550 -0.009 0.000 0.289 561 Y C 2.720 178.645 175.900 0.041 0.000 1.127 561 Y CA 0.431 58.557 58.100 0.043 0.000 1.131 561 Y CB -0.768 37.725 38.460 0.055 0.000 0.995 561 Y HN -0.075 nan 8.280 nan 0.000 0.505 562 I N 0.171 120.871 120.570 0.216 0.000 2.145 562 I HA -0.396 3.768 4.170 -0.011 0.000 0.244 562 I C 2.391 178.568 176.117 0.101 0.000 1.075 562 I CA 1.570 62.958 61.300 0.146 0.000 1.332 562 I CB -0.665 37.429 38.000 0.156 0.000 1.033 562 I HN 0.308 nan 8.210 nan 0.000 0.410 563 Q N 0.423 120.271 119.800 0.080 0.000 2.096 563 Q HA -0.255 4.078 4.340 -0.011 0.000 0.208 563 Q C 2.205 178.231 176.000 0.044 0.000 0.993 563 Q CA 1.926 57.761 55.803 0.052 0.000 0.862 563 Q CB -0.498 28.255 28.738 0.025 0.000 0.915 563 Q HN 0.607 nan 8.270 nan 0.000 0.416 564 M N -0.206 119.429 119.600 0.059 0.000 2.098 564 M HA -0.126 4.347 4.480 -0.011 0.000 0.262 564 M C 2.246 178.555 176.300 0.015 0.000 1.072 564 M CA 1.032 56.359 55.300 0.046 0.000 1.133 564 M CB -0.284 32.364 32.600 0.080 0.000 1.344 564 M HN 0.162 nan 8.290 nan 0.000 0.414 565 L N 0.190 121.432 121.223 0.031 0.000 2.072 565 L HA -0.132 4.202 4.340 -0.011 0.000 0.205 565 L C 2.282 179.102 176.870 -0.084 0.000 1.079 565 L CA 1.669 56.500 54.840 -0.014 0.000 0.752 565 L CB -0.422 41.656 42.059 0.032 0.000 0.906 565 L HN 0.222 nan 8.230 nan 0.000 0.436 566 M N -0.132 119.426 119.600 -0.070 0.000 2.059 566 M HA -0.087 4.386 4.480 -0.011 0.000 0.259 566 M C 0.152 176.373 176.300 -0.133 0.000 1.072 566 M CA 1.834 57.043 55.300 -0.152 0.000 1.117 566 M CB -2.639 29.835 32.600 -0.209 0.000 1.320 566 M HN 0.092 nan 8.290 nan 0.000 0.408 567 P HA -0.178 nan 4.420 nan 0.000 0.217 567 P C -1.249 175.991 177.300 -0.101 0.000 1.162 567 P CA 2.191 65.261 63.100 -0.051 0.000 0.901 567 P CB -1.580 30.105 31.700 -0.025 0.000 0.793 568 P HA -0.113 nan 4.420 nan 0.000 0.220 568 P C 1.613 178.683 177.300 -0.382 0.000 1.148 568 P CA 1.373 64.286 63.100 -0.312 0.000 0.803 568 P CB -0.405 30.988 31.700 -0.512 0.000 0.782 569 L N -0.813 120.204 121.223 -0.343 0.000 2.049 569 L HA -0.073 4.260 4.340 -0.011 0.000 0.203 569 L C 2.597 179.484 176.870 0.029 0.000 1.074 569 L CA 0.990 55.733 54.840 -0.160 0.000 0.749 569 L CB -0.854 41.141 42.059 -0.107 0.000 0.907 569 L HN -0.166 nan 8.230 nan 0.000 0.439 570 I N 0.181 120.732 120.570 -0.031 0.000 2.423 570 I HA -0.272 3.891 4.170 -0.011 0.000 0.254 570 I C 2.572 178.778 176.117 0.149 0.000 1.151 570 I CA 1.278 62.590 61.300 0.021 0.000 1.421 570 I CB -1.142 36.825 38.000 -0.056 0.000 1.079 570 I HN 0.506 nan 8.210 nan 0.000 0.431 571 Q N 1.663 121.512 119.800 0.081 0.000 1.993 571 Q HA -0.206 4.127 4.340 -0.011 0.000 0.202 571 Q C 2.104 178.196 176.000 0.153 0.000 0.984 571 Q CA 1.497 57.358 55.803 0.096 0.000 0.837 571 Q CB -0.052 28.704 28.738 0.031 0.000 0.902 571 Q HN 0.375 nan 8.270 nan 0.000 0.423 572 K N 0.309 120.807 120.400 0.164 0.000 2.015 572 K HA -0.211 4.103 4.320 -0.011 0.000 0.216 572 K C 1.883 178.627 176.600 0.241 0.000 1.052 572 K CA 1.477 57.896 56.287 0.219 0.000 0.937 572 K CB -1.021 31.668 32.500 0.315 0.000 0.719 572 K HN 0.504 nan 8.250 nan 0.000 0.446 573 W N 2.391 123.750 121.300 0.097 0.000 2.275 573 W HA -0.339 4.314 4.660 -0.011 0.000 0.321 573 W C 1.369 177.935 176.519 0.078 0.000 1.269 573 W CA 2.297 59.696 57.345 0.089 0.000 1.274 573 W CB -0.694 28.814 29.460 0.081 0.000 1.141 573 W HN 0.264 nan 8.180 nan 0.000 0.493 574 N N 0.194 119.097 118.700 0.337 0.000 2.173 574 N HA -0.154 4.580 4.740 -0.011 0.000 0.184 574 N C 1.694 177.255 175.510 0.084 0.000 1.025 574 N CA 1.617 54.796 53.050 0.215 0.000 0.852 574 N CB -0.586 38.045 38.487 0.241 0.000 0.998 574 N HN 0.120 nan 8.380 nan 0.000 0.427 575 M N 0.435 120.089 119.600 0.091 0.000 2.726 575 M HA 0.283 4.756 4.480 -0.011 0.000 0.211 575 M C -0.671 175.650 176.300 0.035 0.000 1.190 575 M CA 0.797 56.132 55.300 0.059 0.000 1.000 575 M CB -0.234 32.407 32.600 0.069 0.000 1.790 575 M HN -0.051 nan 8.290 nan 0.000 0.467 576 L N -0.362 120.857 121.223 -0.005 0.000 2.327 576 L HA 0.757 5.091 4.340 -0.011 0.000 0.258 576 L C -0.478 176.340 176.870 -0.086 0.000 1.024 576 L CA -0.968 53.849 54.840 -0.038 0.000 0.825 576 L CB 2.166 44.200 42.059 -0.041 0.000 1.386 576 L HN -0.049 nan 8.230 nan 0.000 0.417 577 K N -0.214 120.150 120.400 -0.060 0.000 2.395 577 K HA 0.325 4.639 4.320 -0.011 0.000 0.247 577 K C -0.316 176.268 176.600 -0.027 0.000 0.973 577 K CA -0.610 55.644 56.287 -0.055 0.000 0.828 577 K CB 1.286 33.769 32.500 -0.029 0.000 1.272 577 K HN 0.305 nan 8.250 nan 0.000 0.439 578 D N 1.302 121.676 120.400 -0.043 0.000 2.407 578 D HA -0.078 4.555 4.640 -0.011 0.000 0.234 578 D C -0.067 176.174 176.300 -0.099 0.000 1.029 578 D CA 0.936 54.919 54.000 -0.029 0.000 0.937 578 D CB 0.359 41.115 40.800 -0.072 0.000 0.882 578 D HN 0.433 nan 8.370 nan 0.000 0.531 579 E N -0.760 119.419 120.200 -0.036 0.000 2.500 579 E HA 0.051 4.394 4.350 -0.011 0.000 0.217 579 E C 0.121 176.821 176.600 0.167 0.000 0.848 579 E CA -0.291 56.051 56.400 -0.098 0.000 1.217 579 E CB 0.546 30.189 29.700 -0.095 0.000 1.217 579 E HN -0.036 nan 8.360 nan 0.000 0.573 580 D N 1.377 121.869 120.400 0.153 0.000 2.371 580 D HA 0.013 4.647 4.640 -0.011 0.000 0.256 580 D C 0.146 176.438 176.300 -0.014 0.000 1.193 580 D CA 0.046 54.091 54.000 0.075 0.000 0.881 580 D CB 0.984 41.788 40.800 0.008 0.000 1.143 580 D HN -0.148 nan 8.370 nan 0.000 0.473 581 K N 2.004 122.279 120.400 -0.209 0.000 2.555 581 K HA 0.011 4.325 4.320 -0.011 0.000 0.193 581 K C 0.766 176.788 176.600 -0.964 0.000 1.032 581 K CA 0.364 56.094 56.287 -0.929 0.000 1.004 581 K CB 0.343 32.456 32.500 -0.645 0.000 0.804 581 K HN 0.313 nan 8.250 nan 0.000 0.496 582 D N 0.468 120.612 120.400 -0.425 0.000 2.349 582 D HA 0.019 4.653 4.640 -0.011 0.000 0.224 582 D C 1.302 177.464 176.300 -0.230 0.000 1.029 582 D CA 0.419 54.267 54.000 -0.253 0.000 0.879 582 D CB 0.218 40.983 40.800 -0.058 0.000 0.906 582 D HN 0.225 nan 8.370 nan 0.000 0.528 583 L N -0.272 120.756 121.223 -0.325 0.000 2.109 583 L HA -0.069 4.265 4.340 -0.011 0.000 0.207 583 L C 2.207 179.009 176.870 -0.113 0.000 1.086 583 L CA 0.498 55.227 54.840 -0.184 0.000 0.760 583 L CB -0.343 41.641 42.059 -0.124 0.000 0.910 583 L HN 0.043 nan 8.230 nan 0.000 0.437 584 F N 1.132 120.894 119.950 -0.314 0.000 2.037 584 F HA -0.279 4.242 4.527 -0.011 0.000 0.296 584 F C 0.032 175.672 175.800 -0.268 0.000 1.132 584 F CA 1.059 58.884 58.000 -0.291 0.000 1.211 584 F CB -2.209 36.626 39.000 -0.275 0.000 0.951 584 F HN 0.186 nan 8.300 nan 0.000 0.503 585 P HA -0.130 nan 4.420 nan 0.000 0.223 585 P C 1.611 178.419 177.300 -0.821 0.000 1.151 585 P CA 1.162 64.039 63.100 -0.372 0.000 0.787 585 P CB -0.138 31.363 31.700 -0.331 0.000 0.788 586 L N -0.247 120.557 121.223 -0.698 0.000 2.034 586 L HA -0.047 4.287 4.340 -0.011 0.000 0.203 586 L C 2.565 179.380 176.870 -0.091 0.000 1.074 586 L CA 1.573 56.130 54.840 -0.473 0.000 0.748 586 L CB -1.458 40.584 42.059 -0.030 0.000 0.905 586 L HN -0.227 nan 8.230 nan 0.000 0.439 587 L N -0.488 120.737 121.223 0.004 0.000 2.013 587 L HA -0.220 4.114 4.340 -0.011 0.000 0.212 587 L C 2.717 179.604 176.870 0.028 0.000 1.073 587 L CA 1.491 56.388 54.840 0.094 0.000 0.753 587 L CB -1.112 41.008 42.059 0.101 0.000 0.890 587 L HN 0.352 nan 8.230 nan 0.000 0.432 588 E N -0.206 119.973 120.200 -0.035 0.000 2.086 588 E HA -0.299 4.044 4.350 -0.011 0.000 0.200 588 E C 2.267 178.853 176.600 -0.023 0.000 1.012 588 E CA 1.772 58.148 56.400 -0.041 0.000 0.812 588 E CB -0.777 28.885 29.700 -0.064 0.000 0.743 588 E HN 0.575 nan 8.360 nan 0.000 0.453 589 C N 0.625 119.902 119.300 -0.038 0.000 2.432 589 C HA -0.107 4.347 4.460 -0.011 0.000 0.277 589 C C 2.864 177.888 174.990 0.057 0.000 1.249 589 C CA 0.681 59.732 59.018 0.055 0.000 1.725 589 C CB -1.232 26.613 27.740 0.175 0.000 2.028 589 C HN 0.394 nan 8.230 nan 0.000 0.477 590 L N 1.801 123.061 121.223 0.062 0.000 2.079 590 L HA -0.150 4.184 4.340 -0.011 0.000 0.210 590 L C 2.926 179.751 176.870 -0.074 0.000 1.081 590 L CA 2.134 56.993 54.840 0.033 0.000 0.752 590 L CB -0.688 41.439 42.059 0.114 0.000 0.896 590 L HN 0.639 nan 8.230 nan 0.000 0.433 591 S N -1.661 114.014 115.700 -0.041 0.000 2.419 591 S HA -0.169 4.294 4.470 -0.011 0.000 0.235 591 S C 2.015 176.560 174.600 -0.090 0.000 1.019 591 S CA 1.491 59.648 58.200 -0.071 0.000 0.982 591 S CB -0.323 62.862 63.200 -0.024 0.000 0.789 591 S HN 0.347 nan 8.310 nan 0.000 0.490 592 S N 1.169 116.835 115.700 -0.057 0.000 2.395 592 S HA 0.072 4.535 4.470 -0.011 0.000 0.225 592 S C 1.966 176.522 174.600 -0.073 0.000 1.027 592 S CA 0.942 59.113 58.200 -0.047 0.000 0.965 592 S CB -0.434 62.762 63.200 -0.007 0.000 0.812 592 S HN 0.450 nan 8.310 nan 0.000 0.482 593 V N 2.412 122.275 119.914 -0.085 0.000 2.295 593 V HA -0.209 3.905 4.120 -0.011 0.000 0.246 593 V C 2.697 178.647 176.094 -0.240 0.000 1.049 593 V CA 1.782 64.022 62.300 -0.100 0.000 1.024 593 V CB -1.321 30.468 31.823 -0.056 0.000 0.648 593 V HN 0.525 nan 8.190 nan 0.000 0.447 594 A N 0.062 122.585 122.820 -0.495 0.000 1.877 594 A HA -0.238 4.076 4.320 -0.011 0.000 0.216 594 A C 2.412 179.794 177.584 -0.337 0.000 1.186 594 A CA 2.624 54.163 52.037 -0.830 0.000 0.620 594 A CB -1.119 17.288 19.000 -0.989 0.000 0.822 594 A HN 0.517 nan 8.150 nan 0.000 0.443 595 T N 0.499 114.935 114.554 -0.198 0.000 2.652 595 T HA -0.100 4.243 4.350 -0.011 0.000 0.267 595 T C 2.233 176.905 174.700 -0.047 0.000 1.039 595 T CA 1.942 63.989 62.100 -0.087 0.000 1.153 595 T CB -0.588 68.245 68.868 -0.058 0.000 0.863 595 T HN 0.625 nan 8.240 nan 0.000 0.428 596 A N 1.199 123.991 122.820 -0.046 0.000 1.902 596 A HA 0.080 4.394 4.320 -0.011 0.000 0.217 596 A C 1.921 179.522 177.584 0.030 0.000 1.181 596 A CA 1.062 53.096 52.037 -0.006 0.000 0.623 596 A CB -0.765 18.229 19.000 -0.010 0.000 0.818 596 A HN 0.510 nan 8.150 nan 0.000 0.443 597 L N 0.160 121.397 121.223 0.023 0.000 2.777 597 L HA -0.020 4.313 4.340 -0.011 0.000 0.244 597 L C 1.438 178.384 176.870 0.127 0.000 1.235 597 L CA -0.231 54.672 54.840 0.105 0.000 1.062 597 L CB -0.880 41.285 42.059 0.178 0.000 1.340 597 L HN 0.537 nan 8.230 nan 0.000 0.439 598 Q N 0.757 120.607 119.800 0.083 0.000 2.431 598 Q HA -0.404 3.930 4.340 -0.011 0.000 0.367 598 Q C 2.043 178.115 176.000 0.121 0.000 0.892 598 Q CA 3.308 59.159 55.803 0.079 0.000 0.960 598 Q CB -0.585 28.192 28.738 0.065 0.000 1.038 598 Q HN 0.657 nan 8.270 nan 0.000 0.694 599 S N -1.334 114.435 115.700 0.115 0.000 2.524 599 S HA 0.123 4.586 4.470 -0.011 0.000 0.216 599 S C 1.682 176.369 174.600 0.145 0.000 0.987 599 S CA 0.364 58.633 58.200 0.116 0.000 0.909 599 S CB 0.316 63.560 63.200 0.074 0.000 0.781 599 S HN 0.560 nan 8.310 nan 0.000 0.521 600 G N 0.264 109.166 108.800 0.171 0.000 2.625 600 G HA2 -0.030 3.923 3.960 -0.011 0.000 0.214 600 G HA3 -0.030 3.923 3.960 -0.011 0.000 0.214 600 G C 0.827 175.891 174.900 0.274 0.000 1.132 600 G CA 0.196 45.408 45.100 0.186 0.000 0.782 600 G HN 0.531 nan 8.290 nan 0.000 0.538 601 F N 0.506 120.536 119.950 0.133 0.000 2.754 601 F HA 0.364 4.886 4.527 -0.009 0.000 0.297 601 F C 2.223 178.143 175.800 0.199 0.000 1.122 601 F CA -0.291 57.829 58.000 0.201 0.000 1.400 601 F CB 0.107 39.170 39.000 0.105 0.000 1.117 601 F HN -0.017 nan 8.300 nan 0.000 0.587 602 L N 0.955 122.269 121.223 0.153 0.000 2.054 602 L HA -0.260 4.074 4.340 -0.011 0.000 0.220 602 L C -0.469 176.320 176.870 -0.135 0.000 1.081 602 L CA 1.721 56.575 54.840 0.023 0.000 0.780 602 L CB -2.027 40.041 42.059 0.015 0.000 0.893 602 L HN 0.074 nan 8.230 nan 0.000 0.438 603 P HA -0.177 nan 4.420 nan 0.000 0.227 603 P C 0.238 177.035 177.300 -0.839 0.000 1.145 603 P CA 1.541 64.301 63.100 -0.568 0.000 0.769 603 P CB -0.041 31.195 31.700 -0.773 0.000 0.769 604 Y N -3.258 116.773 120.300 -0.448 0.000 2.494 604 Y HA 0.042 4.585 4.550 -0.011 0.000 0.271 604 Y C 2.530 178.194 175.900 -0.393 0.000 1.113 604 Y CA -0.163 57.595 58.100 -0.569 0.000 1.240 604 Y CB -1.147 36.675 38.460 -1.063 0.000 1.268 604 Y HN 0.031 nan 8.280 nan 0.000 0.510 605 C N 0.626 119.868 119.300 -0.098 0.000 2.367 605 C HA -0.272 4.181 4.460 -0.011 0.000 0.276 605 C C 2.416 177.483 174.990 0.129 0.000 1.195 605 C CA 1.419 60.519 59.018 0.137 0.000 1.756 605 C CB -1.119 26.742 27.740 0.201 0.000 2.046 605 C HN 0.602 nan 8.230 nan 0.000 0.453 606 E N 3.034 123.264 120.200 0.050 0.000 2.103 606 E HA -0.244 4.099 4.350 -0.011 0.000 0.229 606 E C -0.110 176.584 176.600 0.155 0.000 1.061 606 E CA 3.347 59.793 56.400 0.076 0.000 0.916 606 E CB -1.197 28.513 29.700 0.016 0.000 0.806 606 E HN 0.529 nan 8.360 nan 0.000 0.489 607 P HA -0.155 nan 4.420 nan 0.000 0.218 607 P C 1.526 178.995 177.300 0.283 0.000 1.148 607 P CA 1.357 64.565 63.100 0.180 0.000 0.822 607 P CB -0.029 31.745 31.700 0.123 0.000 0.784 608 V N -0.594 119.419 119.914 0.164 0.000 2.244 608 V HA -0.253 3.860 4.120 -0.011 0.000 0.244 608 V C 2.613 178.927 176.094 0.367 0.000 1.042 608 V CA 1.825 64.252 62.300 0.212 0.000 1.006 608 V CB -1.644 30.244 31.823 0.108 0.000 0.641 608 V HN -0.035 nan 8.190 nan 0.000 0.446 609 Y N 0.750 121.168 120.300 0.196 0.000 2.139 609 Y HA -0.374 4.169 4.550 -0.012 0.000 0.282 609 Y C 2.669 178.669 175.900 0.166 0.000 1.179 609 Y CA 2.473 60.673 58.100 0.167 0.000 1.161 609 Y CB -0.240 38.295 38.460 0.124 0.000 0.970 609 Y HN 0.260 nan 8.280 nan 0.000 0.511 610 Q N 0.207 120.206 119.800 0.331 0.000 1.921 610 Q HA -0.257 4.077 4.340 -0.011 0.000 0.208 610 Q C 2.423 178.515 176.000 0.153 0.000 0.994 610 Q CA 2.392 58.333 55.803 0.231 0.000 0.857 610 Q CB -0.468 28.414 28.738 0.240 0.000 0.925 610 Q HN 0.409 nan 8.270 nan 0.000 0.421 611 R N -0.804 119.844 120.500 0.246 0.000 2.165 611 R HA -0.241 4.092 4.340 -0.011 0.000 0.254 611 R C 2.210 178.579 176.300 0.115 0.000 1.153 611 R CA 2.171 58.389 56.100 0.196 0.000 0.971 611 R CB -0.929 29.562 30.300 0.318 0.000 0.878 611 R HN 0.469 nan 8.270 nan 0.000 0.449 612 C N -1.383 117.985 119.300 0.113 0.000 2.462 612 C HA -0.029 4.424 4.460 -0.011 0.000 0.278 612 C C 2.611 177.579 174.990 -0.038 0.000 1.253 612 C CA 0.738 59.778 59.018 0.036 0.000 1.713 612 C CB -0.739 27.004 27.740 0.005 0.000 2.049 612 C HN 0.424 nan 8.230 nan 0.000 0.477 613 V N 1.773 121.611 119.914 -0.127 0.000 2.252 613 V HA -0.291 3.823 4.120 -0.011 0.000 0.249 613 V C 2.039 178.115 176.094 -0.029 0.000 1.056 613 V CA 2.566 64.801 62.300 -0.108 0.000 1.022 613 V CB -1.128 30.615 31.823 -0.133 0.000 0.641 613 V HN 0.521 nan 8.190 nan 0.000 0.445 614 N N 0.181 118.880 118.700 -0.001 0.000 2.049 614 N HA -0.229 4.504 4.740 -0.011 0.000 0.198 614 N C 1.638 177.150 175.510 0.003 0.000 1.030 614 N CA 1.913 54.969 53.050 0.011 0.000 0.870 614 N CB -0.493 38.009 38.487 0.026 0.000 1.045 614 N HN 0.413 nan 8.380 nan 0.000 0.434 615 L N -0.451 120.784 121.223 0.020 0.000 2.141 615 L HA -0.112 4.222 4.340 -0.011 0.000 0.209 615 L C 1.997 178.886 176.870 0.031 0.000 1.094 615 L CA 0.524 55.388 54.840 0.040 0.000 0.763 615 L CB -0.240 41.889 42.059 0.118 0.000 0.908 615 L HN 0.082 nan 8.230 nan 0.000 0.437 616 V N -0.785 119.139 119.914 0.015 0.000 2.229 616 V HA -0.303 3.810 4.120 -0.011 0.000 0.243 616 V C 2.374 178.460 176.094 -0.013 0.000 1.042 616 V CA 1.610 63.910 62.300 -0.000 0.000 1.000 616 V CB -0.640 31.174 31.823 -0.015 0.000 0.637 616 V HN 0.429 nan 8.190 nan 0.000 0.446 617 Q N -0.006 119.785 119.800 -0.014 0.000 2.084 617 Q HA -0.373 3.960 4.340 -0.011 0.000 0.215 617 Q C 2.317 178.300 176.000 -0.028 0.000 1.020 617 Q CA 2.694 58.487 55.803 -0.016 0.000 0.887 617 Q CB -0.304 28.429 28.738 -0.008 0.000 0.975 617 Q HN 0.584 nan 8.270 nan 0.000 0.413 618 K N -0.626 119.755 120.400 -0.031 0.000 2.002 618 K HA -0.096 4.218 4.320 -0.011 0.000 0.209 618 K C 2.262 178.829 176.600 -0.056 0.000 1.048 618 K CA 1.791 58.050 56.287 -0.047 0.000 0.930 618 K CB -0.262 32.201 32.500 -0.062 0.000 0.714 618 K HN 0.172 nan 8.250 nan 0.000 0.438 619 T N 1.809 116.334 114.554 -0.048 0.000 2.652 619 T HA -0.148 4.195 4.350 -0.011 0.000 0.267 619 T C 1.781 176.457 174.700 -0.040 0.000 1.039 619 T CA 1.097 63.174 62.100 -0.037 0.000 1.153 619 T CB -0.289 68.584 68.868 0.008 0.000 0.863 619 T HN 0.108 nan 8.240 nan 0.000 0.428 620 L N 0.460 121.659 121.223 -0.040 0.000 2.042 620 L HA -0.171 4.162 4.340 -0.011 0.000 0.210 620 L C 2.896 179.725 176.870 -0.068 0.000 1.076 620 L CA 1.413 56.222 54.840 -0.051 0.000 0.749 620 L CB -0.574 41.457 42.059 -0.047 0.000 0.893 620 L HN 0.302 nan 8.230 nan 0.000 0.432 621 A N -1.021 121.757 122.820 -0.071 0.000 1.877 621 A HA -0.296 4.018 4.320 -0.011 0.000 0.216 621 A C 2.106 179.607 177.584 -0.139 0.000 1.186 621 A CA 1.785 53.763 52.037 -0.097 0.000 0.620 621 A CB -0.536 18.415 19.000 -0.082 0.000 0.822 621 A HN 0.420 nan 8.150 nan 0.000 0.443 622 Q N -0.466 119.269 119.800 -0.109 0.000 2.167 622 Q HA 0.031 4.364 4.340 -0.011 0.000 0.202 622 Q C 2.132 178.071 176.000 -0.100 0.000 0.970 622 Q CA 1.544 57.283 55.803 -0.108 0.000 0.855 622 Q CB -0.613 28.098 28.738 -0.045 0.000 0.911 622 Q HN 0.624 nan 8.270 nan 0.000 0.438 623 A N 0.807 123.579 122.820 -0.080 0.000 1.851 623 A HA -0.242 4.072 4.320 -0.011 0.000 0.216 623 A C 2.048 179.584 177.584 -0.080 0.000 1.195 623 A CA 2.235 54.234 52.037 -0.062 0.000 0.622 623 A CB -0.860 18.107 19.000 -0.056 0.000 0.831 623 A HN 0.615 nan 8.150 nan 0.000 0.444 624 M N -1.051 118.487 119.600 -0.104 0.000 2.213 624 M HA -0.007 4.467 4.480 -0.011 0.000 0.263 624 M C 1.838 178.050 176.300 -0.146 0.000 1.062 624 M CA 1.713 56.949 55.300 -0.108 0.000 1.105 624 M CB -0.715 31.821 32.600 -0.107 0.000 1.385 624 M HN 0.273 nan 8.290 nan 0.000 0.417 625 L N 0.833 121.903 121.223 -0.255 0.000 2.179 625 L HA -0.091 4.242 4.340 -0.011 0.000 0.208 625 L C 2.708 179.465 176.870 -0.189 0.000 1.096 625 L CA 1.030 55.593 54.840 -0.462 0.000 0.779 625 L CB -1.010 40.360 42.059 -1.149 0.000 0.922 625 L HN 0.564 nan 8.230 nan 0.000 0.443 626 N N 0.444 119.105 118.700 -0.066 0.000 2.166 626 N HA -0.232 4.502 4.740 -0.011 0.000 0.186 626 N C 1.666 177.196 175.510 0.034 0.000 1.019 626 N CA 1.062 54.145 53.050 0.055 0.000 0.856 626 N CB 0.032 38.541 38.487 0.037 0.000 0.993 626 N HN 0.343 nan 8.380 nan 0.000 0.426 627 N N 0.876 119.571 118.700 -0.009 0.000 2.135 627 N HA -0.036 4.697 4.740 -0.011 0.000 0.186 627 N C 1.099 176.612 175.510 0.004 0.000 1.027 627 N CA 1.131 54.177 53.050 -0.006 0.000 0.849 627 N CB -0.168 38.303 38.487 -0.026 0.000 1.002 627 N HN 0.278 nan 8.380 nan 0.000 0.425 628 A N -0.410 122.405 122.820 -0.008 0.000 2.302 628 A HA 0.100 4.414 4.320 -0.011 0.000 0.219 628 A C 0.745 178.368 177.584 0.065 0.000 1.243 628 A CA 0.246 52.289 52.037 0.010 0.000 0.856 628 A CB 0.023 19.012 19.000 -0.019 0.000 0.893 628 A HN 0.368 nan 8.150 nan 0.000 0.491 629 Q N -1.288 118.577 119.800 0.107 0.000 3.400 629 Q HA 0.171 4.504 4.340 -0.011 0.000 0.232 629 Q C -2.434 173.646 176.000 0.134 0.000 0.696 629 Q CA -0.679 55.222 55.803 0.163 0.000 0.961 629 Q CB 0.487 29.437 28.738 0.353 0.000 1.545 629 Q HN 0.139 nan 8.270 nan 0.000 0.371 630 P HA -0.213 nan 4.420 nan 0.000 0.218 630 P C 0.436 177.764 177.300 0.047 0.000 1.152 630 P CA 1.850 64.986 63.100 0.060 0.000 0.857 630 P CB 0.177 31.900 31.700 0.039 0.000 0.787 631 D N -2.280 118.140 120.400 0.033 0.000 2.328 631 D HA -0.029 4.605 4.640 -0.011 0.000 0.221 631 D C 1.291 177.579 176.300 -0.021 0.000 1.072 631 D CA 0.444 54.449 54.000 0.008 0.000 0.850 631 D CB -0.170 40.633 40.800 0.004 0.000 0.922 631 D HN 0.288 nan 8.370 nan 0.000 0.516 632 Q N -1.181 118.597 119.800 -0.036 0.000 2.104 632 Q HA 0.106 4.440 4.340 -0.011 0.000 0.240 632 Q C -0.495 175.346 176.000 -0.265 0.000 0.743 632 Q CA -0.121 55.589 55.803 -0.154 0.000 0.920 632 Q CB 1.043 29.654 28.738 -0.212 0.000 1.198 632 Q HN 0.194 nan 8.270 nan 0.000 0.465 633 Y N 2.066 122.361 120.300 -0.008 0.000 2.434 633 Y HA 0.217 4.761 4.550 -0.011 0.000 0.341 633 Y C 0.148 176.043 175.900 -0.009 0.000 0.965 633 Y CA -0.850 57.243 58.100 -0.011 0.000 1.205 633 Y CB 0.947 39.400 38.460 -0.012 0.000 1.121 633 Y HN -0.038 nan 8.280 nan 0.000 0.507 634 E N 2.956 123.229 120.200 0.121 0.000 2.529 634 E HA 0.126 4.469 4.350 -0.011 0.000 0.259 634 E C -0.342 176.306 176.600 0.079 0.000 0.966 634 E CA -0.015 56.429 56.400 0.073 0.000 0.937 634 E CB 0.546 30.271 29.700 0.043 0.000 0.923 634 E HN 0.638 nan 8.360 nan 0.000 0.468 635 A N 7.047 129.903 122.820 0.059 0.000 2.537 635 A HA 0.199 4.513 4.320 -0.011 0.000 0.260 635 A C -1.899 175.714 177.584 0.048 0.000 1.082 635 A CA -0.911 51.155 52.037 0.049 0.000 0.765 635 A CB -0.581 18.444 19.000 0.043 0.000 1.019 635 A HN 0.552 nan 8.150 nan 0.000 0.507 636 P HA 0.171 nan 4.420 nan 0.000 0.274 636 P C -0.828 176.518 177.300 0.078 0.000 1.237 636 P CA -0.350 62.772 63.100 0.037 0.000 0.793 636 P CB 0.751 32.458 31.700 0.011 0.000 0.977 637 D N 1.136 121.622 120.400 0.144 0.000 2.274 637 D HA 0.095 4.728 4.640 -0.011 0.000 0.239 637 D C 0.687 177.122 176.300 0.224 0.000 1.104 637 D CA -0.286 53.854 54.000 0.233 0.000 0.840 637 D CB 0.859 41.927 40.800 0.447 0.000 1.100 637 D HN 0.182 nan 8.370 nan 0.000 0.477 638 K N 2.089 122.542 120.400 0.087 0.000 2.400 638 K HA -0.004 4.309 4.320 -0.011 0.000 0.194 638 K C 0.599 177.160 176.600 -0.065 0.000 1.033 638 K CA 0.060 56.362 56.287 0.026 0.000 1.021 638 K CB 0.609 33.101 32.500 -0.014 0.000 0.808 638 K HN 0.358 nan 8.250 nan 0.000 0.505 639 D N 0.389 120.663 120.400 -0.210 0.000 2.350 639 D HA -0.092 4.541 4.640 -0.011 0.000 0.216 639 D C 1.212 177.113 176.300 -0.665 0.000 0.968 639 D CA 0.878 54.506 54.000 -0.619 0.000 0.894 639 D CB 0.032 40.107 40.800 -1.209 0.000 0.909 639 D HN 0.136 nan 8.370 nan 0.000 0.520 640 F N 0.144 119.972 119.950 -0.203 0.000 2.187 640 F HA 0.005 4.526 4.527 -0.010 0.000 0.295 640 F C 2.443 178.222 175.800 -0.035 0.000 1.091 640 F CA 0.588 58.602 58.000 0.023 0.000 1.308 640 F CB -0.138 38.934 39.000 0.121 0.000 1.030 640 F HN -0.120 nan 8.300 nan 0.000 0.487 641 M N -0.222 119.452 119.600 0.123 0.000 2.156 641 M HA -0.116 4.357 4.480 -0.011 0.000 0.264 641 M C 1.977 178.265 176.300 -0.020 0.000 1.067 641 M CA 1.704 57.029 55.300 0.040 0.000 1.131 641 M CB -0.257 32.350 32.600 0.012 0.000 1.368 641 M HN 0.131 nan 8.290 nan 0.000 0.416 642 I N -0.072 120.453 120.570 -0.075 0.000 2.052 642 I HA -0.319 3.845 4.170 -0.011 0.000 0.235 642 I C 2.468 178.535 176.117 -0.084 0.000 1.046 642 I CA 1.988 63.229 61.300 -0.098 0.000 1.308 642 I CB -0.695 37.213 38.000 -0.153 0.000 1.031 642 I HN 0.366 nan 8.210 nan 0.000 0.395 643 V N -0.041 119.797 119.914 -0.127 0.000 2.278 643 V HA -0.346 3.768 4.120 -0.011 0.000 0.251 643 V C 2.561 178.650 176.094 -0.008 0.000 1.062 643 V CA 1.879 64.133 62.300 -0.076 0.000 1.038 643 V CB -1.818 29.954 31.823 -0.086 0.000 0.646 643 V HN 0.450 nan 8.190 nan 0.000 0.447 644 A N 1.199 124.029 122.820 0.016 0.000 1.881 644 A HA -0.226 4.088 4.320 -0.011 0.000 0.219 644 A C 2.303 179.899 177.584 0.020 0.000 1.215 644 A CA 2.810 54.872 52.037 0.041 0.000 0.648 644 A CB -0.996 18.031 19.000 0.045 0.000 0.832 644 A HN 0.641 nan 8.150 nan 0.000 0.455 645 L N -0.783 120.440 121.223 0.000 0.000 2.042 645 L HA -0.254 4.080 4.340 -0.011 0.000 0.210 645 L C 2.305 179.185 176.870 0.016 0.000 1.076 645 L CA 1.762 56.601 54.840 -0.001 0.000 0.749 645 L CB -0.839 41.210 42.059 -0.017 0.000 0.893 645 L HN 0.370 nan 8.230 nan 0.000 0.432 646 D N 0.014 120.418 120.400 0.007 0.000 2.081 646 D HA -0.213 4.421 4.640 -0.011 0.000 0.194 646 D C 1.954 178.267 176.300 0.021 0.000 0.986 646 D CA 1.015 55.022 54.000 0.012 0.000 0.837 646 D CB -0.540 40.255 40.800 -0.009 0.000 0.985 646 D HN 0.065 nan 8.370 nan 0.000 0.448 647 L N 0.194 121.432 121.223 0.026 0.000 2.211 647 L HA -0.189 4.145 4.340 -0.011 0.000 0.216 647 L C 1.762 178.666 176.870 0.056 0.000 1.092 647 L CA 1.384 56.250 54.840 0.044 0.000 0.767 647 L CB -0.404 41.712 42.059 0.095 0.000 0.894 647 L HN 0.041 nan 8.230 nan 0.000 0.437 648 L N -0.852 120.404 121.223 0.055 0.000 2.049 648 L HA -0.041 4.292 4.340 -0.011 0.000 0.203 648 L C 2.712 179.634 176.870 0.088 0.000 1.074 648 L CA 1.925 56.807 54.840 0.069 0.000 0.749 648 L CB -1.128 40.947 42.059 0.027 0.000 0.907 648 L HN 0.584 nan 8.230 nan 0.000 0.439 649 S N -1.260 114.486 115.700 0.077 0.000 2.595 649 S HA -0.019 4.444 4.470 -0.011 0.000 0.235 649 S C 1.804 176.449 174.600 0.076 0.000 0.974 649 S CA 0.662 58.921 58.200 0.099 0.000 0.942 649 S CB -0.586 62.686 63.200 0.120 0.000 0.766 649 S HN 0.412 nan 8.310 nan 0.000 0.536 650 G N 1.346 110.169 108.800 0.039 0.000 2.459 650 G HA2 0.168 4.122 3.960 -0.011 0.000 0.213 650 G HA3 0.168 4.122 3.960 -0.011 0.000 0.213 650 G C 1.315 176.202 174.900 -0.022 0.000 1.155 650 G CA 0.208 45.301 45.100 -0.010 0.000 0.811 650 G HN 0.480 nan 8.290 nan 0.000 0.534 651 L N 0.785 122.020 121.223 0.020 0.000 2.056 651 L HA -0.032 4.301 4.340 -0.011 0.000 0.207 651 L C 3.360 180.287 176.870 0.096 0.000 1.078 651 L CA 1.056 55.938 54.840 0.071 0.000 0.749 651 L CB -0.241 41.933 42.059 0.191 0.000 0.901 651 L HN 0.305 nan 8.230 nan 0.000 0.433 652 A N -0.465 122.423 122.820 0.112 0.000 1.933 652 A HA -0.263 4.050 4.320 -0.011 0.000 0.218 652 A C 2.197 179.838 177.584 0.095 0.000 1.175 652 A CA 1.952 54.056 52.037 0.112 0.000 0.628 652 A CB -0.401 18.677 19.000 0.131 0.000 0.814 652 A HN 0.512 nan 8.150 nan 0.000 0.444 653 E N -0.724 119.525 120.200 0.082 0.000 2.014 653 E HA -0.011 4.333 4.350 -0.011 0.000 0.190 653 E C 2.158 178.788 176.600 0.051 0.000 0.980 653 E CA 0.882 57.327 56.400 0.074 0.000 0.807 653 E CB -0.510 29.225 29.700 0.058 0.000 0.770 653 E HN 0.402 nan 8.360 nan 0.000 0.451 654 G N 0.910 109.725 108.800 0.024 0.000 2.446 654 G HA2 -0.245 3.709 3.960 -0.011 0.000 0.217 654 G HA3 -0.245 3.709 3.960 -0.011 0.000 0.217 654 G C 1.455 176.384 174.900 0.049 0.000 1.168 654 G CA 1.002 46.115 45.100 0.022 0.000 0.771 654 G HN 0.196 nan 8.290 nan 0.000 0.551 655 L N 0.867 122.128 121.223 0.063 0.000 2.179 655 L HA 0.264 4.598 4.340 -0.011 0.000 0.208 655 L C 2.358 179.260 176.870 0.053 0.000 1.096 655 L CA 1.207 56.090 54.840 0.071 0.000 0.779 655 L CB -0.932 41.179 42.059 0.087 0.000 0.922 655 L HN 0.500 nan 8.230 nan 0.000 0.443 656 G N -0.111 108.722 108.800 0.055 0.000 2.651 656 G HA2 -0.400 3.554 3.960 -0.011 0.000 0.315 656 G HA3 -0.400 3.554 3.960 -0.011 0.000 0.315 656 G C 1.144 176.065 174.900 0.035 0.000 1.258 656 G CA 0.331 45.462 45.100 0.052 0.000 1.002 656 G HN 0.526 nan 8.290 nan 0.000 0.551 657 G N -0.006 108.813 108.800 0.031 0.000 2.564 657 G HA2 -0.086 3.868 3.960 -0.011 0.000 0.217 657 G HA3 -0.086 3.868 3.960 -0.011 0.000 0.217 657 G C 1.349 176.248 174.900 -0.001 0.000 1.120 657 G CA 1.582 46.693 45.100 0.018 0.000 0.752 657 G HN 0.670 nan 8.290 nan 0.000 0.558 658 N N -0.578 118.124 118.700 0.003 0.000 2.422 658 N HA 0.173 4.906 4.740 -0.011 0.000 0.181 658 N C 1.739 177.227 175.510 -0.037 0.000 1.080 658 N CA -0.081 52.965 53.050 -0.008 0.000 0.893 658 N CB 0.063 38.559 38.487 0.014 0.000 0.973 658 N HN 0.349 nan 8.380 nan 0.000 0.456 659 I N 0.434 120.978 120.570 -0.043 0.000 3.059 659 I HA -0.140 4.023 4.170 -0.011 0.000 0.270 659 I C 1.955 177.972 176.117 -0.167 0.000 1.238 659 I CA 0.442 61.687 61.300 -0.092 0.000 1.478 659 I CB 0.073 38.058 38.000 -0.026 0.000 1.097 659 I HN 0.083 nan 8.210 nan 0.000 0.455 660 E N 1.168 121.273 120.200 -0.158 0.000 2.170 660 E HA -0.387 3.956 4.350 -0.011 0.000 0.229 660 E C 1.865 178.315 176.600 -0.249 0.000 1.074 660 E CA 2.416 58.665 56.400 -0.253 0.000 0.930 660 E CB -0.602 29.027 29.700 -0.118 0.000 0.806 660 E HN 0.449 nan 8.360 nan 0.000 0.478 661 Q N 0.053 119.767 119.800 -0.143 0.000 2.002 661 Q HA -0.101 4.232 4.340 -0.011 0.000 0.204 661 Q C 2.674 178.579 176.000 -0.157 0.000 0.988 661 Q CA 1.935 57.677 55.803 -0.101 0.000 0.843 661 Q CB -0.467 28.223 28.738 -0.080 0.000 0.908 661 Q HN 0.508 nan 8.270 nan 0.000 0.420 662 L N -0.048 120.995 121.223 -0.300 0.000 2.042 662 L HA -0.194 4.139 4.340 -0.011 0.000 0.210 662 L C 2.547 179.164 176.870 -0.421 0.000 1.076 662 L CA 0.856 55.342 54.840 -0.590 0.000 0.749 662 L CB -0.876 40.478 42.059 -1.175 0.000 0.893 662 L HN 0.024 nan 8.230 nan 0.000 0.432 663 V N 0.432 120.205 119.914 -0.236 0.000 2.237 663 V HA -0.319 3.795 4.120 -0.011 0.000 0.245 663 V C 2.864 179.007 176.094 0.083 0.000 1.046 663 V CA 1.991 64.302 62.300 0.017 0.000 1.007 663 V CB -0.929 30.838 31.823 -0.094 0.000 0.638 663 V HN 0.497 nan 8.190 nan 0.000 0.445 664 A N -0.303 122.550 122.820 0.055 0.000 1.948 664 A HA -0.244 4.069 4.320 -0.011 0.000 0.220 664 A C 2.142 179.801 177.584 0.124 0.000 1.177 664 A CA 1.757 53.932 52.037 0.229 0.000 0.636 664 A CB -0.495 18.700 19.000 0.324 0.000 0.815 664 A HN 0.535 nan 8.150 nan 0.000 0.449 665 R N -0.061 120.484 120.500 0.075 0.000 2.449 665 R HA 0.142 4.475 4.340 -0.011 0.000 0.262 665 R C -0.431 175.931 176.300 0.105 0.000 1.006 665 R CA 0.664 56.806 56.100 0.070 0.000 1.104 665 R CB -0.219 30.104 30.300 0.038 0.000 1.206 665 R HN 0.624 nan 8.270 nan 0.000 0.538 666 S N -1.129 114.653 115.700 0.138 0.000 2.537 666 S HA 0.231 4.694 4.470 -0.011 0.000 0.271 666 S C -0.632 174.047 174.600 0.131 0.000 1.148 666 S CA -1.120 57.174 58.200 0.157 0.000 0.868 666 S CB 1.345 64.702 63.200 0.262 0.000 1.115 666 S HN -0.013 nan 8.310 nan 0.000 0.461 667 N N 1.316 120.075 118.700 0.098 0.000 3.115 667 N HA 0.187 4.921 4.740 -0.011 0.000 0.305 667 N C 0.644 176.204 175.510 0.084 0.000 1.305 667 N CA -0.153 52.945 53.050 0.080 0.000 1.154 667 N CB -0.195 38.328 38.487 0.060 0.000 1.454 667 N HN 0.658 nan 8.380 nan 0.000 0.551 668 I N -0.422 120.212 120.570 0.106 0.000 2.585 668 I HA 0.009 4.172 4.170 -0.011 0.000 0.254 668 I C 1.594 177.776 176.117 0.109 0.000 1.129 668 I CA 0.716 62.073 61.300 0.094 0.000 1.455 668 I CB 0.029 38.106 38.000 0.129 0.000 1.111 668 I HN 0.145 nan 8.210 nan 0.000 0.433 669 L N 0.500 121.798 121.223 0.125 0.000 1.989 669 L HA -0.227 4.107 4.340 -0.011 0.000 0.211 669 L C 2.473 179.469 176.870 0.210 0.000 1.071 669 L CA 2.625 57.556 54.840 0.153 0.000 0.749 669 L CB -1.102 41.001 42.059 0.074 0.000 0.890 669 L HN 0.311 nan 8.230 nan 0.000 0.431 670 T N -0.334 114.318 114.554 0.164 0.000 2.849 670 T HA -0.176 4.168 4.350 -0.011 0.000 0.270 670 T C 1.953 176.779 174.700 0.210 0.000 1.066 670 T CA 1.370 63.607 62.100 0.228 0.000 1.130 670 T CB -0.278 68.683 68.868 0.155 0.000 0.864 670 T HN 0.234 nan 8.240 nan 0.000 0.481 671 L N 0.219 121.517 121.223 0.125 0.000 2.027 671 L HA -0.020 4.314 4.340 -0.011 0.000 0.206 671 L C 2.655 179.547 176.870 0.036 0.000 1.074 671 L CA 1.464 56.340 54.840 0.060 0.000 0.745 671 L CB -0.642 41.434 42.059 0.028 0.000 0.898 671 L HN 0.370 nan 8.230 nan 0.000 0.433 672 M N -1.525 118.104 119.600 0.048 0.000 2.175 672 M HA -0.247 4.226 4.480 -0.011 0.000 0.264 672 M C 2.334 178.597 176.300 -0.063 0.000 1.063 672 M CA 1.760 57.034 55.300 -0.044 0.000 1.119 672 M CB -0.847 31.714 32.600 -0.064 0.000 1.377 672 M HN 0.109 nan 8.290 nan 0.000 0.415 673 Y N 1.752 122.006 120.300 -0.076 0.000 2.181 673 Y HA -0.375 4.168 4.550 -0.011 0.000 0.284 673 Y C 2.393 178.230 175.900 -0.106 0.000 1.179 673 Y CA 1.549 59.612 58.100 -0.061 0.000 1.179 673 Y CB 0.015 38.594 38.460 0.198 0.000 0.973 673 Y HN 0.346 nan 8.280 nan 0.000 0.519 674 Q N -1.439 118.294 119.800 -0.111 0.000 2.187 674 Q HA -0.161 4.172 4.340 -0.011 0.000 0.199 674 Q C 2.371 178.266 176.000 -0.175 0.000 0.957 674 Q CA 1.256 56.941 55.803 -0.196 0.000 0.857 674 Q CB -0.125 28.534 28.738 -0.130 0.000 0.929 674 Q HN 0.523 nan 8.270 nan 0.000 0.453 675 C N 0.538 119.742 119.300 -0.159 0.000 2.435 675 C HA -0.054 4.400 4.460 -0.011 0.000 0.279 675 C C 2.487 177.333 174.990 -0.240 0.000 1.321 675 C CA 0.588 59.502 59.018 -0.173 0.000 1.752 675 C CB -0.711 26.934 27.740 -0.159 0.000 1.959 675 C HN 0.519 nan 8.230 nan 0.000 0.500 676 M N 0.087 119.484 119.600 -0.338 0.000 2.374 676 M HA -0.150 4.323 4.480 -0.011 0.000 0.264 676 M C 2.045 178.224 176.300 -0.201 0.000 1.067 676 M CA 1.514 56.548 55.300 -0.443 0.000 1.103 676 M CB -0.426 31.792 32.600 -0.637 0.000 1.402 676 M HN 0.468 nan 8.290 nan 0.000 0.444 677 Q N -0.221 119.473 119.800 -0.178 0.000 2.402 677 Q HA 0.038 4.371 4.340 -0.011 0.000 0.206 677 Q C 0.337 176.270 176.000 -0.112 0.000 0.919 677 Q CA -0.067 55.660 55.803 -0.127 0.000 0.923 677 Q CB 0.231 28.877 28.738 -0.153 0.000 1.048 677 Q HN 0.357 nan 8.270 nan 0.000 0.515 678 D N 1.553 121.880 120.400 -0.121 0.000 2.533 678 D HA -0.088 4.545 4.640 -0.011 0.000 0.236 678 D C 0.588 176.833 176.300 -0.093 0.000 1.137 678 D CA 0.440 54.380 54.000 -0.100 0.000 0.867 678 D CB 0.864 41.605 40.800 -0.097 0.000 1.170 678 D HN 0.090 nan 8.370 nan 0.000 0.474 679 K N 3.038 123.391 120.400 -0.078 0.000 2.160 679 K HA -0.153 4.160 4.320 -0.011 0.000 0.206 679 K C 1.290 177.837 176.600 -0.088 0.000 1.047 679 K CA 0.636 56.877 56.287 -0.075 0.000 0.930 679 K CB -0.047 32.424 32.500 -0.048 0.000 0.720 679 K HN 0.527 nan 8.250 nan 0.000 0.450 680 M N 3.081 122.637 119.600 -0.073 0.000 2.194 680 M HA 0.039 4.512 4.480 -0.011 0.000 0.347 680 M C -1.897 174.352 176.300 -0.085 0.000 1.439 680 M CA -1.957 53.306 55.300 -0.063 0.000 1.131 680 M CB 0.872 33.446 32.600 -0.043 0.000 1.733 680 M HN -0.170 nan 8.290 nan 0.000 0.467 681 P HA -0.237 nan 4.420 nan 0.000 0.219 681 P C 0.470 177.744 177.300 -0.043 0.000 1.158 681 P CA 1.856 64.882 63.100 -0.123 0.000 0.895 681 P CB 0.093 31.781 31.700 -0.021 0.000 0.792 682 E N -0.502 119.685 120.200 -0.021 0.000 2.051 682 E HA -0.114 4.230 4.350 -0.011 0.000 0.192 682 E C 2.111 178.698 176.600 -0.023 0.000 0.991 682 E CA 1.004 57.396 56.400 -0.013 0.000 0.799 682 E CB -1.304 28.379 29.700 -0.029 0.000 0.748 682 E HN 0.056 nan 8.360 nan 0.000 0.449 683 V N 1.034 120.920 119.914 -0.047 0.000 2.392 683 V HA -0.307 3.807 4.120 -0.011 0.000 0.249 683 V C 2.172 178.221 176.094 -0.074 0.000 1.059 683 V CA 2.002 64.263 62.300 -0.064 0.000 1.051 683 V CB -0.602 31.177 31.823 -0.074 0.000 0.658 683 V HN 0.185 nan 8.190 nan 0.000 0.455 684 R N 0.383 120.852 120.500 -0.051 0.000 2.082 684 R HA -0.233 4.100 4.340 -0.011 0.000 0.234 684 R C 2.597 178.994 176.300 0.162 0.000 1.136 684 R CA 2.126 58.226 56.100 0.000 0.000 0.935 684 R CB -0.542 29.796 30.300 0.063 0.000 0.842 684 R HN 0.823 nan 8.270 nan 0.000 0.430 685 Q N 0.406 120.317 119.800 0.185 0.000 2.020 685 Q HA -0.132 4.201 4.340 -0.011 0.000 0.202 685 Q C 2.000 178.113 176.000 0.189 0.000 0.982 685 Q CA 2.090 58.045 55.803 0.253 0.000 0.838 685 Q CB -0.349 28.471 28.738 0.137 0.000 0.899 685 Q HN 0.074 nan 8.270 nan 0.000 0.423 686 S N 1.296 117.041 115.700 0.074 0.000 2.387 686 S HA -0.218 4.245 4.470 -0.011 0.000 0.230 686 S C 2.191 176.807 174.600 0.026 0.000 1.035 686 S CA 1.682 59.906 58.200 0.041 0.000 1.014 686 S CB -0.422 62.774 63.200 -0.006 0.000 0.836 686 S HN 0.729 nan 8.310 nan 0.000 0.466 687 S N 1.141 116.805 115.700 -0.060 0.000 2.345 687 S HA -0.074 4.390 4.470 -0.011 0.000 0.220 687 S C 1.645 176.172 174.600 -0.122 0.000 1.031 687 S CA 1.071 59.177 58.200 -0.156 0.000 0.996 687 S CB -1.089 61.907 63.200 -0.340 0.000 0.882 687 S HN 0.469 nan 8.310 nan 0.000 0.445 688 F N 2.894 122.845 119.950 0.001 0.000 2.091 688 F HA -0.122 4.398 4.527 -0.011 0.000 0.299 688 F C 3.070 178.942 175.800 0.120 0.000 1.103 688 F CA 1.085 59.098 58.000 0.022 0.000 1.228 688 F CB -0.972 38.046 39.000 0.030 0.000 0.984 688 F HN 0.337 nan 8.300 nan 0.000 0.477 689 A N 0.060 123.106 122.820 0.376 0.000 1.927 689 A HA -0.265 4.048 4.320 -0.011 0.000 0.220 689 A C 2.092 179.896 177.584 0.366 0.000 1.185 689 A CA 2.166 54.467 52.037 0.440 0.000 0.639 689 A CB -1.155 17.998 19.000 0.256 0.000 0.820 689 A HN 0.421 nan 8.150 nan 0.000 0.451 690 L N -0.879 120.462 121.223 0.197 0.000 2.072 690 L HA -0.045 4.289 4.340 -0.011 0.000 0.205 690 L C 2.258 179.206 176.870 0.129 0.000 1.079 690 L CA 2.011 56.939 54.840 0.147 0.000 0.752 690 L CB -0.520 41.589 42.059 0.083 0.000 0.906 690 L HN 0.386 nan 8.230 nan 0.000 0.436 691 L N 0.043 121.322 121.223 0.094 0.000 2.043 691 L HA -0.098 4.236 4.340 -0.011 0.000 0.212 691 L C 2.274 179.162 176.870 0.031 0.000 1.075 691 L CA 2.304 57.196 54.840 0.087 0.000 0.752 691 L CB -1.449 40.646 42.059 0.061 0.000 0.891 691 L HN 0.294 nan 8.230 nan 0.000 0.432 692 G N -1.181 107.567 108.800 -0.087 0.000 2.421 692 G HA2 -0.261 3.692 3.960 -0.011 0.000 0.216 692 G HA3 -0.261 3.692 3.960 -0.011 0.000 0.216 692 G C 1.347 176.145 174.900 -0.170 0.000 1.171 692 G CA 0.855 45.639 45.100 -0.526 0.000 0.775 692 G HN 0.475 nan 8.290 nan 0.000 0.543 693 D N 0.317 120.804 120.400 0.146 0.000 2.149 693 D HA -0.014 4.620 4.640 -0.011 0.000 0.201 693 D C 2.704 179.087 176.300 0.139 0.000 0.972 693 D CA 0.388 54.520 54.000 0.219 0.000 0.835 693 D CB 0.004 40.958 40.800 0.257 0.000 0.966 693 D HN 0.284 nan 8.370 nan 0.000 0.476 694 L N 0.691 121.989 121.223 0.124 0.000 2.056 694 L HA -0.135 4.199 4.340 -0.011 0.000 0.207 694 L C 2.545 179.497 176.870 0.136 0.000 1.078 694 L CA 1.030 55.941 54.840 0.119 0.000 0.749 694 L CB -0.727 41.407 42.059 0.126 0.000 0.901 694 L HN -0.023 nan 8.230 nan 0.000 0.433 695 T N -0.647 113.990 114.554 0.139 0.000 2.759 695 T HA -0.243 4.101 4.350 -0.011 0.000 0.269 695 T C 1.944 176.722 174.700 0.131 0.000 1.042 695 T CA 1.382 63.603 62.100 0.201 0.000 1.140 695 T CB -0.105 68.815 68.868 0.087 0.000 0.864 695 T HN 0.225 nan 8.240 nan 0.000 0.455 696 K N 0.373 120.819 120.400 0.076 0.000 2.217 696 K HA 0.118 4.431 4.320 -0.011 0.000 0.202 696 K C 2.174 178.832 176.600 0.097 0.000 1.051 696 K CA 0.763 57.098 56.287 0.080 0.000 0.952 696 K CB -0.075 32.499 32.500 0.124 0.000 0.736 696 K HN 0.307 nan 8.250 nan 0.000 0.453 697 A N 0.499 123.382 122.820 0.104 0.000 1.974 697 A HA -0.022 4.292 4.320 -0.011 0.000 0.219 697 A C 1.038 178.676 177.584 0.089 0.000 1.479 697 A CA 0.826 52.913 52.037 0.083 0.000 0.615 697 A CB -0.286 18.752 19.000 0.063 0.000 1.130 697 A HN 0.514 nan 8.150 nan 0.000 0.497 698 C N -2.399 116.948 119.300 0.079 0.000 2.717 698 C HA 0.640 5.094 4.460 -0.011 0.000 0.306 698 C C 1.144 176.240 174.990 0.177 0.000 1.225 698 C CA -0.928 58.140 59.018 0.083 0.000 1.658 698 C CB -1.740 25.935 27.740 -0.108 0.000 1.714 698 C HN 0.483 nan 8.230 nan 0.000 0.463 699 F N 3.343 123.334 119.950 0.067 0.000 2.192 699 F HA -0.212 4.309 4.527 -0.010 0.000 0.301 699 F C 2.609 178.455 175.800 0.076 0.000 1.079 699 F CA 2.325 60.360 58.000 0.059 0.000 1.303 699 F CB 0.056 39.077 39.000 0.035 0.000 1.024 699 F HN 0.644 nan 8.300 nan 0.000 0.494 700 Q N -0.490 119.302 119.800 -0.014 0.000 2.368 700 Q HA -0.246 4.088 4.340 -0.011 0.000 0.210 700 Q C 1.255 177.125 176.000 -0.217 0.000 0.982 700 Q CA 1.980 57.698 55.803 -0.141 0.000 0.884 700 Q CB -1.477 27.260 28.738 -0.002 0.000 0.933 700 Q HN 0.620 nan 8.270 nan 0.000 0.460 701 H N -0.366 118.580 119.070 -0.206 0.000 2.553 701 H HA 0.173 4.723 4.556 -0.010 0.000 0.265 701 H C 1.594 176.784 175.328 -0.231 0.000 0.964 701 H CA 0.534 56.483 56.048 -0.166 0.000 1.156 701 H CB 0.951 30.670 29.762 -0.071 0.000 1.411 701 H HN 0.112 nan 8.280 nan 0.000 0.558 702 V N 0.354 120.109 119.914 -0.265 0.000 2.581 702 V HA -0.100 4.014 4.120 -0.011 0.000 0.240 702 V C 2.330 178.124 176.094 -0.500 0.000 1.054 702 V CA 0.643 62.746 62.300 -0.329 0.000 1.076 702 V CB -0.067 31.646 31.823 -0.183 0.000 0.748 702 V HN 0.129 nan 8.190 nan 0.000 0.474 703 K N 0.586 120.533 120.400 -0.755 0.000 2.127 703 K HA -0.236 4.077 4.320 -0.011 0.000 0.212 703 K C -0.150 176.246 176.600 -0.340 0.000 1.050 703 K CA 2.290 58.229 56.287 -0.580 0.000 0.929 703 K CB -1.157 30.983 32.500 -0.599 0.000 0.715 703 K HN 0.457 nan 8.250 nan 0.000 0.457 704 P HA -0.220 nan 4.420 nan 0.000 0.208 704 P C 1.296 178.369 177.300 -0.378 0.000 1.180 704 P CA 1.502 64.430 63.100 -0.288 0.000 0.935 704 P CB -0.372 31.168 31.700 -0.266 0.000 0.785 705 C N -0.976 117.984 119.300 -0.565 0.000 2.419 705 C HA -0.039 4.414 4.460 -0.011 0.000 0.283 705 C C 2.877 177.227 174.990 -1.067 0.000 1.373 705 C CA -0.181 58.269 59.018 -0.947 0.000 1.781 705 C CB -2.144 24.764 27.740 -1.387 0.000 1.886 705 C HN 0.268 nan 8.230 nan 0.000 0.520 706 I N 1.138 121.302 120.570 -0.678 0.000 2.229 706 I HA -0.331 3.832 4.170 -0.011 0.000 0.250 706 I C 2.480 178.481 176.117 -0.193 0.000 1.096 706 I CA 1.713 62.830 61.300 -0.306 0.000 1.358 706 I CB -0.151 37.794 38.000 -0.093 0.000 1.047 706 I HN 0.356 nan 8.210 nan 0.000 0.422 707 A N 1.206 123.920 122.820 -0.176 0.000 1.859 707 A HA -0.328 3.985 4.320 -0.011 0.000 0.217 707 A C 1.737 179.310 177.584 -0.019 0.000 1.198 707 A CA 2.549 54.563 52.037 -0.037 0.000 0.629 707 A CB -1.102 17.881 19.000 -0.028 0.000 0.830 707 A HN 0.710 nan 8.150 nan 0.000 0.446 708 D N -2.372 118.008 120.400 -0.034 0.000 2.340 708 D HA 0.052 4.686 4.640 -0.011 0.000 0.220 708 D C 1.167 177.610 176.300 0.237 0.000 1.039 708 D CA 0.035 54.089 54.000 0.091 0.000 0.866 708 D CB -0.252 40.614 40.800 0.110 0.000 0.913 708 D HN 0.303 nan 8.370 nan 0.000 0.523 709 F N 0.917 120.797 119.950 -0.116 0.000 2.128 709 F HA 0.044 4.564 4.527 -0.011 0.000 0.295 709 F C 2.220 177.997 175.800 -0.038 0.000 1.100 709 F CA 0.529 58.495 58.000 -0.056 0.000 1.260 709 F CB -0.456 38.491 39.000 -0.088 0.000 1.009 709 F HN -0.075 nan 8.300 nan 0.000 0.476 710 M N 0.049 119.654 119.600 0.009 0.000 2.073 710 M HA -0.178 4.296 4.480 -0.011 0.000 0.258 710 M C -0.267 176.018 176.300 -0.025 0.000 1.070 710 M CA 1.981 57.194 55.300 -0.145 0.000 1.103 710 M CB -2.628 29.584 32.600 -0.646 0.000 1.321 710 M HN -0.053 nan 8.290 nan 0.000 0.405 711 P HA -0.177 nan 4.420 nan 0.000 0.216 711 P C 1.737 179.086 177.300 0.081 0.000 1.157 711 P CA 1.312 64.455 63.100 0.073 0.000 0.880 711 P CB -0.301 31.459 31.700 0.099 0.000 0.791 712 I N -1.738 118.897 120.570 0.109 0.000 2.208 712 I HA -0.197 3.967 4.170 -0.011 0.000 0.245 712 I C 2.430 178.641 176.117 0.157 0.000 1.097 712 I CA 1.476 62.852 61.300 0.126 0.000 1.363 712 I CB -1.679 36.391 38.000 0.115 0.000 1.051 712 I HN -0.012 nan 8.210 nan 0.000 0.413 713 L N 0.951 122.262 121.223 0.147 0.000 1.990 713 L HA -0.181 4.152 4.340 -0.011 0.000 0.213 713 L C 2.716 179.554 176.870 -0.053 0.000 1.072 713 L CA 1.966 56.814 54.840 0.014 0.000 0.755 713 L CB -1.133 40.933 42.059 0.011 0.000 0.889 713 L HN 0.311 nan 8.230 nan 0.000 0.432 714 G N -1.566 107.236 108.800 0.002 0.000 2.462 714 G HA2 -0.226 3.727 3.960 -0.011 0.000 0.220 714 G HA3 -0.226 3.727 3.960 -0.011 0.000 0.220 714 G C 1.500 176.410 174.900 0.017 0.000 1.121 714 G CA 1.308 46.416 45.100 0.012 0.000 0.758 714 G HN 0.384 nan 8.290 nan 0.000 0.559 715 T N 0.962 115.532 114.554 0.028 0.000 2.896 715 T HA -0.053 4.291 4.350 -0.011 0.000 0.263 715 T C 1.957 176.666 174.700 0.015 0.000 1.050 715 T CA 0.709 62.828 62.100 0.032 0.000 1.140 715 T CB -0.112 68.782 68.868 0.043 0.000 0.877 715 T HN 0.250 nan 8.240 nan 0.000 0.457 716 N N 1.182 119.870 118.700 -0.020 0.000 2.383 716 N HA 0.080 4.814 4.740 -0.011 0.000 0.192 716 N C 0.264 175.722 175.510 -0.087 0.000 1.141 716 N CA 0.026 53.034 53.050 -0.070 0.000 0.851 716 N CB 0.054 38.462 38.487 -0.133 0.000 0.976 716 N HN 0.181 nan 8.380 nan 0.000 0.465 717 L N 1.818 123.007 121.223 -0.056 0.000 2.912 717 L HA 0.113 4.447 4.340 -0.011 0.000 0.246 717 L C -0.017 176.868 176.870 0.026 0.000 1.371 717 L CA 0.178 54.998 54.840 -0.033 0.000 1.196 717 L CB -1.359 40.686 42.059 -0.023 0.000 1.596 717 L HN -0.050 nan 8.230 nan 0.000 0.429 718 N N 0.678 119.422 118.700 0.073 0.000 2.518 718 N HA 0.332 5.066 4.740 -0.011 0.000 0.254 718 N C -2.053 173.537 175.510 0.133 0.000 0.979 718 N CA -2.126 51.000 53.050 0.128 0.000 0.930 718 N CB 1.825 40.448 38.487 0.228 0.000 1.152 718 N HN -0.035 nan 8.380 nan 0.000 0.505 719 P HA -0.082 nan 4.420 nan 0.000 0.236 719 P C 0.655 177.924 177.300 -0.051 0.000 1.172 719 P CA 0.678 63.786 63.100 0.013 0.000 0.759 719 P CB 0.489 32.189 31.700 -0.000 0.000 0.843 720 E N -0.279 119.841 120.200 -0.133 0.000 2.208 720 E HA -0.071 4.272 4.350 -0.011 0.000 0.193 720 E C -0.155 176.119 176.600 -0.542 0.000 0.988 720 E CA 0.460 56.630 56.400 -0.385 0.000 0.828 720 E CB -0.077 29.274 29.700 -0.582 0.000 0.763 720 E HN 0.254 nan 8.360 nan 0.000 0.478 721 F N 1.187 121.134 119.950 -0.005 0.000 2.300 721 F HA 0.220 4.740 4.527 -0.012 0.000 0.364 721 F C 1.182 176.977 175.800 -0.008 0.000 1.090 721 F CA -0.807 57.191 58.000 -0.004 0.000 1.200 721 F CB 0.547 39.549 39.000 0.003 0.000 1.493 721 F HN -0.108 nan 8.300 nan 0.000 0.518 722 I N 0.014 120.636 120.570 0.087 0.000 2.074 722 I HA -0.343 3.820 4.170 -0.011 0.000 0.238 722 I C 2.215 178.371 176.117 0.064 0.000 1.037 722 I CA 1.540 62.870 61.300 0.050 0.000 1.301 722 I CB -1.298 36.712 38.000 0.017 0.000 1.016 722 I HN 0.401 nan 8.210 nan 0.000 0.400 723 S N 0.593 116.337 115.700 0.073 0.000 2.370 723 S HA -0.124 4.339 4.470 -0.011 0.000 0.226 723 S C 2.217 176.858 174.600 0.070 0.000 1.033 723 S CA 1.441 59.678 58.200 0.060 0.000 1.011 723 S CB -0.434 62.802 63.200 0.059 0.000 0.852 723 S HN 0.297 nan 8.310 nan 0.000 0.457 724 V N 0.579 120.549 119.914 0.094 0.000 2.270 724 V HA -0.220 3.893 4.120 -0.011 0.000 0.245 724 V C 2.554 178.630 176.094 -0.030 0.000 1.043 724 V CA 1.646 63.982 62.300 0.061 0.000 1.014 724 V CB -0.982 30.873 31.823 0.053 0.000 0.645 724 V HN 0.678 nan 8.190 nan 0.000 0.447 725 C N 0.674 119.984 119.300 0.017 0.000 2.398 725 C HA -0.228 4.226 4.460 -0.011 0.000 0.276 725 C C 2.839 177.809 174.990 -0.033 0.000 1.222 725 C CA 1.922 60.927 59.018 -0.022 0.000 1.746 725 C CB -1.576 26.184 27.740 0.034 0.000 2.039 725 C HN 0.750 nan 8.230 nan 0.000 0.470 726 N N 0.597 119.302 118.700 0.009 0.000 2.007 726 N HA -0.188 4.546 4.740 -0.011 0.000 0.197 726 N C 1.564 177.114 175.510 0.066 0.000 1.050 726 N CA 2.204 55.271 53.050 0.028 0.000 0.856 726 N CB -0.832 37.668 38.487 0.022 0.000 1.050 726 N HN 0.696 nan 8.380 nan 0.000 0.423 727 N N 0.494 119.243 118.700 0.081 0.000 2.018 727 N HA -0.193 4.540 4.740 -0.011 0.000 0.196 727 N C 1.942 177.533 175.510 0.135 0.000 1.043 727 N CA 1.432 54.604 53.050 0.203 0.000 0.856 727 N CB -0.319 38.308 38.487 0.233 0.000 1.042 727 N HN 0.349 nan 8.380 nan 0.000 0.423 728 A N 0.957 123.647 122.820 -0.216 0.000 1.915 728 A HA -0.250 4.064 4.320 -0.011 0.000 0.220 728 A C 2.377 179.854 177.584 -0.179 0.000 1.198 728 A CA 2.451 54.180 52.037 -0.513 0.000 0.647 728 A CB -1.312 17.174 19.000 -0.855 0.000 0.825 728 A HN 0.369 nan 8.150 nan 0.000 0.456 729 T N -1.856 112.658 114.554 -0.067 0.000 2.674 729 T HA -0.213 4.130 4.350 -0.011 0.000 0.265 729 T C 1.475 176.223 174.700 0.080 0.000 1.039 729 T CA 1.613 63.716 62.100 0.006 0.000 1.150 729 T CB -0.423 68.466 68.868 0.036 0.000 0.864 729 T HN 0.807 nan 8.240 nan 0.000 0.427 730 W N 2.511 123.793 121.300 -0.030 0.000 2.342 730 W HA -0.026 4.633 4.660 -0.003 0.000 0.297 730 W C 2.483 179.014 176.519 0.020 0.000 1.213 730 W CA 0.824 58.169 57.345 -0.000 0.000 1.251 730 W CB -0.795 28.669 29.460 0.007 0.000 1.136 730 W HN 0.266 nan 8.180 nan 0.000 0.526 731 A N 1.063 123.732 122.820 -0.251 0.000 1.873 731 A HA -0.261 4.052 4.320 -0.011 0.000 0.218 731 A C 2.077 179.482 177.584 -0.299 0.000 1.193 731 A CA 2.753 54.533 52.037 -0.429 0.000 0.629 731 A CB -1.254 17.681 19.000 -0.107 0.000 0.826 731 A HN 0.447 nan 8.150 nan 0.000 0.447 732 I N -0.188 120.296 120.570 -0.144 0.000 2.264 732 I HA -0.215 3.949 4.170 -0.011 0.000 0.248 732 I C 2.648 178.713 176.117 -0.088 0.000 1.111 732 I CA 1.046 62.297 61.300 -0.082 0.000 1.382 732 I CB -1.067 36.912 38.000 -0.034 0.000 1.060 732 I HN 0.364 nan 8.210 nan 0.000 0.418 733 G N 1.164 109.908 108.800 -0.095 0.000 2.545 733 G HA2 -0.244 3.709 3.960 -0.011 0.000 0.217 733 G HA3 -0.244 3.709 3.960 -0.011 0.000 0.217 733 G C 1.554 176.387 174.900 -0.111 0.000 1.218 733 G CA 0.812 45.878 45.100 -0.056 0.000 0.787 733 G HN 0.348 nan 8.290 nan 0.000 0.571 734 E N 0.390 120.446 120.200 -0.240 0.000 2.110 734 E HA -0.085 4.259 4.350 -0.011 0.000 0.193 734 E C 2.685 179.142 176.600 -0.238 0.000 0.988 734 E CA 0.418 56.679 56.400 -0.233 0.000 0.804 734 E CB -0.207 29.279 29.700 -0.358 0.000 0.745 734 E HN 0.360 nan 8.360 nan 0.000 0.458 735 I N 1.588 122.029 120.570 -0.215 0.000 2.099 735 I HA -0.291 3.873 4.170 -0.011 0.000 0.239 735 I C 2.789 178.785 176.117 -0.202 0.000 1.066 735 I CA 1.760 62.957 61.300 -0.172 0.000 1.324 735 I CB -1.556 36.417 38.000 -0.046 0.000 1.037 735 I HN 0.124 nan 8.210 nan 0.000 0.401 736 S N 1.250 116.890 115.700 -0.101 0.000 2.356 736 S HA -0.202 4.261 4.470 -0.011 0.000 0.223 736 S C 2.138 176.699 174.600 -0.064 0.000 1.032 736 S CA 1.139 59.313 58.200 -0.044 0.000 1.005 736 S CB -1.004 62.202 63.200 0.009 0.000 0.867 736 S HN 0.302 nan 8.310 nan 0.000 0.449 737 I N 1.628 122.163 120.570 -0.058 0.000 2.530 737 I HA -0.122 4.042 4.170 -0.011 0.000 0.257 737 I C 2.351 178.404 176.117 -0.107 0.000 1.179 737 I CA 1.331 62.620 61.300 -0.018 0.000 1.440 737 I CB -0.252 37.755 38.000 0.011 0.000 1.087 737 I HN 0.391 nan 8.210 nan 0.000 0.440 738 Q N -1.279 118.349 119.800 -0.287 0.000 2.408 738 Q HA 0.096 4.429 4.340 -0.011 0.000 0.205 738 Q C 1.846 177.603 176.000 -0.405 0.000 0.919 738 Q CA 0.541 56.039 55.803 -0.508 0.000 0.932 738 Q CB 0.424 28.446 28.738 -1.194 0.000 1.058 738 Q HN 0.475 nan 8.270 nan 0.000 0.517 739 M N -0.823 118.646 119.600 -0.219 0.000 2.557 739 M HA 0.145 4.618 4.480 -0.011 0.000 0.262 739 M C 1.097 177.404 176.300 0.012 0.000 1.168 739 M CA 1.220 56.505 55.300 -0.024 0.000 1.194 739 M CB -0.249 32.381 32.600 0.050 0.000 1.311 739 M HN 0.205 nan 8.290 nan 0.000 0.489 740 G N 1.324 110.118 108.800 -0.009 0.000 2.542 740 G HA2 -0.244 3.709 3.960 -0.011 0.000 0.235 740 G HA3 -0.244 3.709 3.960 -0.011 0.000 0.235 740 G C 0.540 175.437 174.900 -0.004 0.000 1.286 740 G CA -0.233 44.858 45.100 -0.014 0.000 0.904 740 G HN 0.275 nan 8.290 nan 0.000 0.577 741 I N 1.778 122.338 120.570 -0.018 0.000 2.623 741 I HA -0.140 4.024 4.170 -0.011 0.000 0.261 741 I C 2.500 178.615 176.117 -0.003 0.000 1.204 741 I CA 2.234 63.524 61.300 -0.017 0.000 1.444 741 I CB -0.861 37.123 38.000 -0.027 0.000 1.094 741 I HN 0.663 nan 8.210 nan 0.000 0.451 742 E N -0.059 120.152 120.200 0.019 0.000 2.331 742 E HA -0.215 4.129 4.350 -0.011 0.000 0.199 742 E C 1.997 178.639 176.600 0.070 0.000 1.008 742 E CA 0.812 57.237 56.400 0.042 0.000 0.843 742 E CB 0.009 29.758 29.700 0.082 0.000 0.761 742 E HN 0.388 nan 8.360 nan 0.000 0.507 743 M N 0.454 120.103 119.600 0.082 0.000 2.557 743 M HA -0.106 4.367 4.480 -0.011 0.000 0.259 743 M C 1.936 178.260 176.300 0.040 0.000 1.086 743 M CA 0.852 56.237 55.300 0.142 0.000 1.096 743 M CB -0.426 32.243 32.600 0.115 0.000 1.424 743 M HN 0.094 nan 8.290 nan 0.000 0.488 744 Q N 1.081 120.864 119.800 -0.029 0.000 2.105 744 Q HA -0.222 4.112 4.340 -0.011 0.000 0.217 744 Q C -0.853 175.066 176.000 -0.136 0.000 1.029 744 Q CA 2.577 58.339 55.803 -0.069 0.000 0.899 744 Q CB -1.744 26.948 28.738 -0.076 0.000 1.000 744 Q HN 0.298 nan 8.270 nan 0.000 0.414 745 P HA -0.090 nan 4.420 nan 0.000 0.221 745 P C 0.690 177.794 177.300 -0.327 0.000 1.150 745 P CA 1.297 64.142 63.100 -0.424 0.000 0.800 745 P CB -0.325 30.923 31.700 -0.754 0.000 0.787 746 Y N -1.380 118.939 120.300 0.032 0.000 2.503 746 Y HA 0.010 4.553 4.550 -0.011 0.000 0.278 746 Y C 2.275 178.200 175.900 0.040 0.000 1.111 746 Y CA -0.467 57.657 58.100 0.039 0.000 1.270 746 Y CB -0.623 37.864 38.460 0.045 0.000 1.063 746 Y HN -0.212 nan 8.280 nan 0.000 0.548 747 I N 1.649 122.304 120.570 0.142 0.000 2.103 747 I HA -0.288 3.875 4.170 -0.011 0.000 0.241 747 I C -0.353 175.837 176.117 0.122 0.000 1.036 747 I CA 1.789 63.151 61.300 0.103 0.000 1.300 747 I CB -2.593 35.443 38.000 0.060 0.000 1.010 747 I HN 0.163 nan 8.210 nan 0.000 0.406 748 P HA -0.121 nan 4.420 nan 0.000 0.223 748 P C 1.878 179.237 177.300 0.099 0.000 1.151 748 P CA 1.329 64.501 63.100 0.120 0.000 0.787 748 P CB -0.041 31.686 31.700 0.045 0.000 0.788 749 M N 0.247 119.910 119.600 0.105 0.000 2.101 749 M HA -0.089 4.385 4.480 -0.011 0.000 0.259 749 M C 2.463 178.828 176.300 0.108 0.000 1.083 749 M CA 1.718 57.077 55.300 0.099 0.000 1.114 749 M CB -2.028 30.654 32.600 0.136 0.000 1.281 749 M HN -0.078 nan 8.290 nan 0.000 0.422 750 V N -0.670 119.312 119.914 0.114 0.000 2.323 750 V HA -0.153 3.960 4.120 -0.011 0.000 0.244 750 V C 2.476 178.627 176.094 0.095 0.000 1.041 750 V CA 1.365 63.718 62.300 0.087 0.000 1.025 750 V CB -1.614 30.246 31.823 0.062 0.000 0.656 750 V HN 0.418 nan 8.190 nan 0.000 0.451 751 L N 1.031 122.314 121.223 0.100 0.000 2.085 751 L HA -0.303 4.030 4.340 -0.011 0.000 0.218 751 L C 2.591 179.485 176.870 0.039 0.000 1.080 751 L CA 2.650 57.517 54.840 0.046 0.000 0.776 751 L CB -1.534 40.546 42.059 0.035 0.000 0.891 751 L HN 0.504 nan 8.230 nan 0.000 0.437 752 H N -0.928 118.158 119.070 0.027 0.000 2.389 752 H HA -0.115 4.434 4.556 -0.010 0.000 0.299 752 H C 2.164 177.512 175.328 0.033 0.000 1.081 752 H CA 1.770 57.839 56.048 0.035 0.000 1.345 752 H CB 0.169 29.952 29.762 0.035 0.000 1.393 752 H HN 0.625 nan 8.280 nan 0.000 0.520 753 Q N 0.500 120.383 119.800 0.139 0.000 2.016 753 Q HA -0.090 4.244 4.340 -0.011 0.000 0.200 753 Q C 2.640 178.672 176.000 0.053 0.000 0.978 753 Q CA 0.856 56.709 55.803 0.083 0.000 0.833 753 Q CB -0.051 28.726 28.738 0.064 0.000 0.895 753 Q HN 0.363 nan 8.270 nan 0.000 0.427 754 L N 0.242 121.487 121.223 0.037 0.000 2.089 754 L HA -0.248 4.085 4.340 -0.011 0.000 0.213 754 L C 2.356 179.242 176.870 0.026 0.000 1.079 754 L CA 0.902 55.753 54.840 0.018 0.000 0.758 754 L CB -0.729 41.326 42.059 -0.007 0.000 0.891 754 L HN 0.101 nan 8.230 nan 0.000 0.433 755 V N -0.454 119.477 119.914 0.029 0.000 2.270 755 V HA -0.278 3.836 4.120 -0.011 0.000 0.245 755 V C 2.447 178.577 176.094 0.059 0.000 1.043 755 V CA 1.985 64.321 62.300 0.060 0.000 1.014 755 V CB -0.521 31.339 31.823 0.063 0.000 0.645 755 V HN 0.480 nan 8.190 nan 0.000 0.447 756 E N -0.475 119.755 120.200 0.051 0.000 2.333 756 E HA -0.215 4.128 4.350 -0.011 0.000 0.198 756 E C 2.047 178.669 176.600 0.036 0.000 1.007 756 E CA 1.012 57.439 56.400 0.045 0.000 0.845 756 E CB -0.028 29.702 29.700 0.050 0.000 0.766 756 E HN 0.568 nan 8.360 nan 0.000 0.507 757 I N 0.548 121.140 120.570 0.036 0.000 2.277 757 I HA -0.187 3.976 4.170 -0.011 0.000 0.243 757 I C 2.265 178.400 176.117 0.030 0.000 1.094 757 I CA 0.681 61.998 61.300 0.028 0.000 1.393 757 I CB -0.045 37.970 38.000 0.025 0.000 1.078 757 I HN 0.161 nan 8.210 nan 0.000 0.417 758 I N 0.231 120.827 120.570 0.044 0.000 2.676 758 I HA -0.185 3.979 4.170 -0.011 0.000 0.259 758 I C 0.490 176.636 176.117 0.049 0.000 1.194 758 I CA 1.162 62.495 61.300 0.055 0.000 1.473 758 I CB -0.087 37.971 38.000 0.096 0.000 1.096 758 I HN 0.234 nan 8.210 nan 0.000 0.443 759 N N 1.286 120.013 118.700 0.044 0.000 2.714 759 N HA 0.184 4.918 4.740 -0.011 0.000 0.298 759 N C -0.474 175.047 175.510 0.018 0.000 1.298 759 N CA -0.134 52.933 53.050 0.029 0.000 1.007 759 N CB 0.283 38.788 38.487 0.030 0.000 1.318 759 N HN 0.137 nan 8.380 nan 0.000 0.516 760 R N 0.975 121.484 120.500 0.015 0.000 2.561 760 R HA 0.426 4.759 4.340 -0.011 0.000 0.297 760 R C -2.790 173.511 176.300 0.002 0.000 0.969 760 R CA -1.959 54.145 56.100 0.008 0.000 0.879 760 R CB 1.376 31.681 30.300 0.008 0.000 1.178 760 R HN -0.015 nan 8.270 nan 0.000 0.445 761 P HA 0.095 nan 4.420 nan 0.000 0.269 761 P C -0.852 176.443 177.300 -0.010 0.000 1.209 761 P CA 0.216 63.312 63.100 -0.005 0.000 0.776 761 P CB 0.358 32.055 31.700 -0.006 0.000 0.876 762 N N -2.032 116.661 118.700 -0.011 0.000 2.713 762 N HA -0.165 4.568 4.740 -0.011 0.000 0.251 762 N C -0.672 174.828 175.510 -0.016 0.000 1.117 762 N CA 0.637 53.678 53.050 -0.015 0.000 0.770 762 N CB -1.801 36.675 38.487 -0.019 0.000 1.137 762 N HN 0.409 nan 8.380 nan 0.000 0.566 763 T N 2.209 116.756 114.554 -0.012 0.000 2.761 763 T HA 0.192 4.535 4.350 -0.011 0.000 0.287 763 T C -1.720 172.972 174.700 -0.013 0.000 0.931 763 T CA -0.636 61.457 62.100 -0.011 0.000 1.164 763 T CB 0.611 69.477 68.868 -0.004 0.000 0.876 763 T HN 0.022 nan 8.240 nan 0.000 0.534 764 P HA -0.021 nan 4.420 nan 0.000 0.271 764 P C 0.979 178.266 177.300 -0.022 0.000 1.228 764 P CA -0.237 62.851 63.100 -0.020 0.000 0.797 764 P CB 0.651 32.339 31.700 -0.020 0.000 0.914 765 K N -0.542 119.841 120.400 -0.028 0.000 2.076 765 K HA -0.070 4.243 4.320 -0.011 0.000 0.204 765 K C 1.431 178.007 176.600 -0.040 0.000 1.051 765 K CA 1.488 57.755 56.287 -0.035 0.000 0.949 765 K CB -1.301 31.176 32.500 -0.040 0.000 0.726 765 K HN 0.252 nan 8.250 nan 0.000 0.443 766 T N 2.553 117.083 114.554 -0.040 0.000 2.624 766 T HA -0.194 4.150 4.350 -0.011 0.000 0.268 766 T C 1.743 176.422 174.700 -0.035 0.000 1.041 766 T CA 1.713 63.786 62.100 -0.045 0.000 1.159 766 T CB -0.350 68.492 68.868 -0.043 0.000 0.863 766 T HN 0.159 nan 8.240 nan 0.000 0.434 767 L N 0.319 121.528 121.223 -0.022 0.000 2.291 767 L HA 0.234 4.568 4.340 -0.011 0.000 0.214 767 L C 2.008 178.873 176.870 -0.008 0.000 1.120 767 L CA 1.135 55.970 54.840 -0.009 0.000 0.799 767 L CB -0.987 41.071 42.059 -0.002 0.000 0.925 767 L HN 0.143 nan 8.230 nan 0.000 0.446 768 L N -0.517 120.695 121.223 -0.018 0.000 2.044 768 L HA -0.123 4.210 4.340 -0.011 0.000 0.205 768 L C 2.370 179.216 176.870 -0.039 0.000 1.075 768 L CA 1.462 56.290 54.840 -0.020 0.000 0.747 768 L CB -0.442 41.604 42.059 -0.023 0.000 0.903 768 L HN 0.237 nan 8.230 nan 0.000 0.435 769 E N -0.230 119.937 120.200 -0.055 0.000 2.035 769 E HA -0.260 4.083 4.350 -0.011 0.000 0.204 769 E C 2.027 178.597 176.600 -0.050 0.000 1.025 769 E CA 1.900 58.254 56.400 -0.077 0.000 0.835 769 E CB -0.275 29.381 29.700 -0.075 0.000 0.764 769 E HN 0.408 nan 8.360 nan 0.000 0.457 770 N N -0.320 118.371 118.700 -0.015 0.000 2.149 770 N HA -0.120 4.613 4.740 -0.011 0.000 0.188 770 N C 1.794 177.333 175.510 0.049 0.000 1.019 770 N CA 1.520 54.594 53.050 0.039 0.000 0.857 770 N CB -0.459 38.068 38.487 0.067 0.000 0.997 770 N HN 0.184 nan 8.380 nan 0.000 0.426 771 T N 1.226 115.795 114.554 0.025 0.000 2.622 771 T HA -0.110 4.233 4.350 -0.011 0.000 0.266 771 T C 2.000 176.724 174.700 0.040 0.000 1.047 771 T CA 1.675 63.792 62.100 0.029 0.000 1.159 771 T CB -0.453 68.430 68.868 0.025 0.000 0.863 771 T HN 0.350 nan 8.240 nan 0.000 0.422 772 A N 0.777 123.606 122.820 0.015 0.000 1.940 772 A HA -0.053 4.261 4.320 -0.011 0.000 0.219 772 A C 2.293 179.931 177.584 0.090 0.000 1.176 772 A CA 1.329 53.382 52.037 0.025 0.000 0.631 772 A CB -0.832 17.984 19.000 -0.306 0.000 0.814 772 A HN 0.546 nan 8.150 nan 0.000 0.446 773 I N -0.790 119.790 120.570 0.017 0.000 2.133 773 I HA -0.223 3.941 4.170 -0.011 0.000 0.238 773 I C 2.669 178.863 176.117 0.128 0.000 1.074 773 I CA 1.768 63.116 61.300 0.080 0.000 1.342 773 I CB -0.926 37.119 38.000 0.074 0.000 1.053 773 I HN 0.241 nan 8.210 nan 0.000 0.404 774 T N 1.523 116.136 114.554 0.099 0.000 2.597 774 T HA -0.241 4.102 4.350 -0.011 0.000 0.267 774 T C 1.914 176.642 174.700 0.047 0.000 1.053 774 T CA 1.942 64.085 62.100 0.071 0.000 1.165 774 T CB -0.538 68.362 68.868 0.052 0.000 0.863 774 T HN 0.229 nan 8.240 nan 0.000 0.427 775 I N 1.177 121.758 120.570 0.018 0.000 2.185 775 I HA -0.226 3.938 4.170 -0.011 0.000 0.246 775 I C 2.839 178.907 176.117 -0.081 0.000 1.088 775 I CA 1.531 62.770 61.300 -0.103 0.000 1.347 775 I CB -0.768 37.078 38.000 -0.257 0.000 1.041 775 I HN 0.360 nan 8.210 nan 0.000 0.415 776 G N 0.336 109.200 108.800 0.108 0.000 2.418 776 G HA2 -0.211 3.742 3.960 -0.011 0.000 0.217 776 G HA3 -0.211 3.742 3.960 -0.011 0.000 0.217 776 G C 1.803 176.783 174.900 0.133 0.000 1.158 776 G CA 0.481 45.673 45.100 0.153 0.000 0.771 776 G HN 0.298 nan 8.290 nan 0.000 0.545 777 R N -0.130 120.444 120.500 0.125 0.000 2.070 777 R HA 0.054 4.387 4.340 -0.011 0.000 0.233 777 R C 2.686 179.070 176.300 0.139 0.000 1.137 777 R CA 1.121 57.305 56.100 0.140 0.000 0.945 777 R CB -0.599 29.757 30.300 0.094 0.000 0.845 777 R HN 0.330 nan 8.270 nan 0.000 0.430 778 L N -0.317 120.947 121.223 0.069 0.000 2.013 778 L HA -0.176 4.158 4.340 -0.011 0.000 0.212 778 L C 2.610 179.507 176.870 0.044 0.000 1.073 778 L CA 1.687 56.553 54.840 0.043 0.000 0.753 778 L CB -1.060 41.003 42.059 0.008 0.000 0.890 778 L HN 0.392 nan 8.230 nan 0.000 0.432 779 G N -1.352 107.466 108.800 0.030 0.000 2.432 779 G HA2 -0.329 3.625 3.960 -0.011 0.000 0.219 779 G HA3 -0.329 3.625 3.960 -0.011 0.000 0.219 779 G C 1.493 176.448 174.900 0.091 0.000 1.135 779 G CA 0.623 45.743 45.100 0.032 0.000 0.767 779 G HN 0.330 nan 8.290 nan 0.000 0.550 780 Y N 1.768 122.070 120.300 0.003 0.000 2.181 780 Y HA -0.168 4.378 4.550 -0.007 0.000 0.288 780 Y C 2.747 178.651 175.900 0.007 0.000 1.146 780 Y CA 1.896 60.006 58.100 0.015 0.000 1.164 780 Y CB -0.142 38.339 38.460 0.036 0.000 0.982 780 Y HN 0.139 nan 8.280 nan 0.000 0.515 781 V N -4.299 115.602 119.914 -0.022 0.000 3.125 781 V HA 0.134 4.247 4.120 -0.011 0.000 0.249 781 V C 0.779 176.834 176.094 -0.066 0.000 1.113 781 V CA 0.263 62.499 62.300 -0.106 0.000 1.106 781 V CB -0.620 31.186 31.823 -0.028 0.000 0.768 781 V HN 0.266 nan 8.190 nan 0.000 0.468 782 C N 2.575 121.861 119.300 -0.023 0.000 2.439 782 C HA 0.582 5.035 4.460 -0.011 0.000 0.298 782 C C -1.232 173.751 174.990 -0.012 0.000 1.094 782 C CA -0.581 58.427 59.018 -0.018 0.000 1.609 782 C CB 0.521 28.262 27.740 0.001 0.000 1.723 782 C HN 0.418 nan 8.230 nan 0.000 0.423 783 P HA -0.101 nan 4.420 nan 0.000 0.215 783 P C 1.568 178.864 177.300 -0.006 0.000 1.160 783 P CA 1.339 64.431 63.100 -0.013 0.000 0.869 783 P CB 0.047 31.730 31.700 -0.029 0.000 0.782 784 Q N 0.160 119.953 119.800 -0.013 0.000 2.308 784 Q HA -0.208 4.126 4.340 -0.011 0.000 0.209 784 Q C 1.569 177.571 176.000 0.002 0.000 0.985 784 Q CA 1.565 57.364 55.803 -0.008 0.000 0.881 784 Q CB -0.750 27.980 28.738 -0.012 0.000 0.917 784 Q HN 0.444 nan 8.270 nan 0.000 0.443 785 E N -0.567 119.636 120.200 0.005 0.000 2.251 785 E HA -0.002 4.342 4.350 -0.011 0.000 0.194 785 E C 1.962 178.577 176.600 0.025 0.000 0.964 785 E CA 0.440 56.849 56.400 0.015 0.000 0.868 785 E CB 0.398 30.105 29.700 0.012 0.000 0.828 785 E HN 0.077 nan 8.360 nan 0.000 0.481 786 V N 0.349 120.275 119.914 0.021 0.000 2.922 786 V HA 0.148 4.261 4.120 -0.011 0.000 0.242 786 V C 2.116 178.253 176.094 0.071 0.000 1.094 786 V CA 0.927 63.245 62.300 0.029 0.000 1.106 786 V CB -0.314 31.504 31.823 -0.009 0.000 0.799 786 V HN 0.260 nan 8.190 nan 0.000 0.474 787 A N 1.430 124.278 122.820 0.046 0.000 1.903 787 A HA -0.181 4.133 4.320 -0.011 0.000 0.219 787 A C 0.201 177.796 177.584 0.018 0.000 1.191 787 A CA 2.433 54.490 52.037 0.034 0.000 0.638 787 A CB -2.013 16.991 19.000 0.006 0.000 0.823 787 A HN 0.535 nan 8.150 nan 0.000 0.451 788 P HA -0.011 nan 4.420 nan 0.000 0.242 788 P C 0.969 178.272 177.300 0.004 0.000 1.198 788 P CA 0.993 64.096 63.100 0.004 0.000 0.756 788 P CB 0.001 31.709 31.700 0.012 0.000 0.911 789 M N -2.169 117.449 119.600 0.030 0.000 2.449 789 M HA 0.109 4.583 4.480 -0.011 0.000 0.262 789 M C 1.442 177.726 176.300 -0.027 0.000 1.152 789 M CA 0.035 55.355 55.300 0.034 0.000 1.104 789 M CB -0.234 32.408 32.600 0.070 0.000 1.416 789 M HN -0.227 nan 8.290 nan 0.000 0.519 790 L N 1.346 122.524 121.223 -0.075 0.000 2.223 790 L HA -0.413 3.921 4.340 -0.011 0.000 0.230 790 L C 1.861 178.214 176.870 -0.861 0.000 1.110 790 L CA 2.364 56.868 54.840 -0.560 0.000 0.834 790 L CB -0.840 41.035 42.059 -0.307 0.000 0.915 790 L HN 0.416 nan 8.230 nan 0.000 0.450 791 Q N -1.549 118.004 119.800 -0.412 0.000 2.173 791 Q HA -0.285 4.048 4.340 -0.011 0.000 0.208 791 Q C 2.221 178.033 176.000 -0.315 0.000 0.989 791 Q CA 2.343 57.963 55.803 -0.304 0.000 0.872 791 Q CB -0.169 28.475 28.738 -0.157 0.000 0.909 791 Q HN 0.637 nan 8.270 nan 0.000 0.420 792 Q N -0.844 118.789 119.800 -0.278 0.000 1.965 792 Q HA -0.101 4.232 4.340 -0.011 0.000 0.200 792 Q C 1.813 177.739 176.000 -0.124 0.000 0.981 792 Q CA 1.827 57.550 55.803 -0.132 0.000 0.834 792 Q CB -0.297 28.438 28.738 -0.005 0.000 0.900 792 Q HN 0.634 nan 8.270 nan 0.000 0.426 793 F N -1.152 118.765 119.950 -0.056 0.000 2.456 793 F HA 0.125 4.645 4.527 -0.012 0.000 0.298 793 F C 1.796 177.603 175.800 0.012 0.000 1.104 793 F CA 0.115 58.108 58.000 -0.012 0.000 1.435 793 F CB -0.577 38.420 39.000 -0.004 0.000 1.078 793 F HN 0.008 nan 8.300 nan 0.000 0.546 794 I N 0.963 121.185 120.570 -0.580 0.000 2.953 794 I HA -0.244 3.919 4.170 -0.011 0.000 0.271 794 I C 2.026 178.116 176.117 -0.045 0.000 1.286 794 I CA 0.916 62.020 61.300 -0.327 0.000 1.449 794 I CB -0.231 37.482 38.000 -0.479 0.000 1.086 794 I HN 0.246 nan 8.210 nan 0.000 0.483 795 R N 1.474 121.918 120.500 -0.093 0.000 2.040 795 R HA 0.044 4.377 4.340 -0.011 0.000 0.219 795 R C -0.614 175.646 176.300 -0.067 0.000 1.216 795 R CA 0.831 56.803 56.100 -0.214 0.000 0.952 795 R CB -2.018 28.106 30.300 -0.295 0.000 0.833 795 R HN 0.311 nan 8.270 nan 0.000 0.456 796 P HA -0.153 nan 4.420 nan 0.000 0.230 796 P C 0.800 178.194 177.300 0.155 0.000 1.158 796 P CA 0.713 63.849 63.100 0.060 0.000 0.769 796 P CB -0.108 31.625 31.700 0.055 0.000 0.807 797 W N 1.445 122.782 121.300 0.061 0.000 2.329 797 W HA -0.255 4.405 4.660 -0.001 0.000 0.324 797 W C 2.301 178.857 176.519 0.061 0.000 1.222 797 W CA 2.137 59.535 57.345 0.088 0.000 1.270 797 W CB -1.114 28.461 29.460 0.192 0.000 1.167 797 W HN -0.032 nan 8.180 nan 0.000 0.467 798 C N -0.566 118.968 119.300 0.390 0.000 2.425 798 C HA -0.163 4.290 4.460 -0.011 0.000 0.277 798 C C 2.455 177.527 174.990 0.136 0.000 1.280 798 C CA 1.557 60.730 59.018 0.257 0.000 1.744 798 C CB -1.660 26.329 27.740 0.414 0.000 1.989 798 C HN 0.403 nan 8.230 nan 0.000 0.491 799 T N 0.328 114.970 114.554 0.146 0.000 2.881 799 T HA -0.162 4.181 4.350 -0.011 0.000 0.270 799 T C 1.991 176.704 174.700 0.022 0.000 1.068 799 T CA 1.904 64.065 62.100 0.102 0.000 1.131 799 T CB -0.250 68.662 68.868 0.074 0.000 0.871 799 T HN 0.656 nan 8.240 nan 0.000 0.479 800 S N 0.042 115.725 115.700 -0.029 0.000 2.427 800 S HA 0.128 4.592 4.470 -0.011 0.000 0.224 800 S C 1.511 176.022 174.600 -0.148 0.000 1.047 800 S CA 0.017 58.165 58.200 -0.087 0.000 0.953 800 S CB -0.092 63.045 63.200 -0.104 0.000 0.824 800 S HN 0.191 nan 8.310 nan 0.000 0.502 801 L N 2.521 123.602 121.223 -0.237 0.000 2.591 801 L HA 0.331 4.665 4.340 -0.011 0.000 0.228 801 L C 2.100 178.886 176.870 -0.140 0.000 1.133 801 L CA 0.621 55.296 54.840 -0.275 0.000 0.880 801 L CB -0.522 41.174 42.059 -0.605 0.000 1.033 801 L HN 0.452 nan 8.230 nan 0.000 0.450 802 R N -1.571 118.879 120.500 -0.083 0.000 2.153 802 R HA 0.022 4.356 4.340 -0.011 0.000 0.218 802 R C 1.189 177.417 176.300 -0.120 0.000 1.072 802 R CA 1.014 57.067 56.100 -0.078 0.000 0.990 802 R CB -0.398 29.892 30.300 -0.017 0.000 0.889 802 R HN 0.124 nan 8.270 nan 0.000 0.452 803 N N 1.182 119.819 118.700 -0.105 0.000 2.313 803 N HA 0.145 4.878 4.740 -0.011 0.000 0.207 803 N C -0.158 175.281 175.510 -0.118 0.000 1.141 803 N CA 0.150 53.142 53.050 -0.098 0.000 0.830 803 N CB 0.421 38.867 38.487 -0.068 0.000 1.008 803 N HN 0.418 nan 8.380 nan 0.000 0.481 804 I N -2.474 118.000 120.570 -0.161 0.000 2.846 804 I HA 0.509 4.673 4.170 -0.011 0.000 0.307 804 I C -0.190 175.795 176.117 -0.219 0.000 1.053 804 I CA -1.300 59.900 61.300 -0.166 0.000 1.050 804 I CB 1.608 39.515 38.000 -0.156 0.000 1.239 804 I HN -0.265 nan 8.210 nan 0.000 0.439 805 R N 1.781 122.176 120.500 -0.174 0.000 2.623 805 R HA 0.146 4.480 4.340 -0.011 0.000 0.271 805 R C -0.878 175.276 176.300 -0.244 0.000 1.043 805 R CA -0.484 55.514 56.100 -0.170 0.000 1.083 805 R CB -0.098 30.142 30.300 -0.099 0.000 0.974 805 R HN 0.513 nan 8.270 nan 0.000 0.436 806 D N 2.667 122.911 120.400 -0.260 0.000 2.541 806 D HA -0.008 4.625 4.640 -0.011 0.000 0.231 806 D C 0.024 176.297 176.300 -0.046 0.000 1.163 806 D CA 0.413 54.212 54.000 -0.335 0.000 1.077 806 D CB -0.308 40.399 40.800 -0.154 0.000 1.110 806 D HN 0.548 nan 8.370 nan 0.000 0.499 807 N N -0.910 117.769 118.700 -0.035 0.000 2.741 807 N HA 0.152 4.886 4.740 -0.011 0.000 0.310 807 N C 1.087 176.699 175.510 0.171 0.000 1.295 807 N CA -0.706 52.388 53.050 0.073 0.000 0.893 807 N CB 1.352 39.852 38.487 0.022 0.000 1.247 807 N HN -0.185 nan 8.380 nan 0.000 0.596 808 E N -0.088 120.192 120.200 0.134 0.000 2.051 808 E HA -0.237 4.106 4.350 -0.011 0.000 0.192 808 E C 1.145 177.834 176.600 0.148 0.000 0.991 808 E CA 1.749 58.231 56.400 0.138 0.000 0.799 808 E CB -0.333 29.423 29.700 0.094 0.000 0.748 808 E HN 0.619 nan 8.360 nan 0.000 0.449 809 E N 0.595 120.867 120.200 0.121 0.000 2.086 809 E HA -0.275 4.069 4.350 -0.011 0.000 0.200 809 E C 2.101 178.796 176.600 0.159 0.000 1.012 809 E CA 1.616 58.090 56.400 0.123 0.000 0.812 809 E CB -0.291 29.459 29.700 0.083 0.000 0.743 809 E HN 0.346 nan 8.360 nan 0.000 0.453 810 K N 0.845 121.351 120.400 0.176 0.000 2.057 810 K HA -0.180 4.133 4.320 -0.011 0.000 0.206 810 K C 1.922 178.892 176.600 0.616 0.000 1.050 810 K CA 1.595 58.060 56.287 0.296 0.000 0.935 810 K CB -0.059 32.462 32.500 0.034 0.000 0.715 810 K HN -0.003 nan 8.250 nan 0.000 0.439 811 D N 0.016 120.743 120.400 0.544 0.000 2.097 811 D HA -0.182 4.451 4.640 -0.011 0.000 0.195 811 D C 1.901 178.340 176.300 0.231 0.000 0.989 811 D CA 2.059 56.317 54.000 0.429 0.000 0.827 811 D CB -0.056 40.881 40.800 0.228 0.000 0.966 811 D HN 0.245 nan 8.370 nan 0.000 0.456 812 S N -0.025 115.754 115.700 0.132 0.000 2.368 812 S HA -0.103 4.360 4.470 -0.011 0.000 0.224 812 S C 2.323 176.946 174.600 0.038 0.000 1.029 812 S CA 1.166 59.337 58.200 -0.050 0.000 0.988 812 S CB -0.838 62.327 63.200 -0.058 0.000 0.838 812 S HN 0.371 nan 8.310 nan 0.000 0.462 813 A N 0.730 123.686 122.820 0.226 0.000 1.948 813 A HA 0.019 4.333 4.320 -0.011 0.000 0.220 813 A C 1.917 179.782 177.584 0.469 0.000 1.177 813 A CA 1.634 53.867 52.037 0.326 0.000 0.636 813 A CB -1.049 18.111 19.000 0.266 0.000 0.815 813 A HN 0.598 nan 8.150 nan 0.000 0.449 814 F N -0.759 119.466 119.950 0.459 0.000 2.335 814 F HA 0.059 4.579 4.527 -0.011 0.000 0.296 814 F C 2.413 178.374 175.800 0.269 0.000 1.091 814 F CA 1.056 59.396 58.000 0.568 0.000 1.399 814 F CB -0.165 39.268 39.000 0.721 0.000 1.067 814 F HN 0.067 nan 8.300 nan 0.000 0.520 815 R N -0.050 120.572 120.500 0.203 0.000 2.159 815 R HA -0.120 4.213 4.340 -0.011 0.000 0.237 815 R C 2.444 178.852 176.300 0.181 0.000 1.131 815 R CA 1.087 57.207 56.100 0.033 0.000 0.982 815 R CB -0.944 29.175 30.300 -0.301 0.000 0.868 815 R HN 0.385 nan 8.270 nan 0.000 0.453 816 G N 1.027 109.921 108.800 0.156 0.000 2.404 816 G HA2 -0.238 3.715 3.960 -0.011 0.000 0.214 816 G HA3 -0.238 3.715 3.960 -0.011 0.000 0.214 816 G C 1.343 176.316 174.900 0.122 0.000 1.189 816 G CA 0.322 45.556 45.100 0.224 0.000 0.789 816 G HN 0.179 nan 8.290 nan 0.000 0.533 817 I N 0.479 121.070 120.570 0.036 0.000 2.208 817 I HA -0.179 3.985 4.170 -0.011 0.000 0.245 817 I C 2.548 178.678 176.117 0.022 0.000 1.097 817 I CA 1.019 62.250 61.300 -0.116 0.000 1.363 817 I CB -0.145 37.644 38.000 -0.351 0.000 1.051 817 I HN 0.200 nan 8.210 nan 0.000 0.413 818 C N 0.070 119.460 119.300 0.150 0.000 2.449 818 C HA -0.079 4.375 4.460 -0.011 0.000 0.283 818 C C 2.519 177.561 174.990 0.087 0.000 1.453 818 C CA 1.578 60.677 59.018 0.135 0.000 1.779 818 C CB -1.543 26.278 27.740 0.134 0.000 1.779 818 C HN 0.588 nan 8.230 nan 0.000 0.546 819 T N -0.543 114.073 114.554 0.103 0.000 3.034 819 T HA 0.087 4.430 4.350 -0.011 0.000 0.248 819 T C 1.698 176.416 174.700 0.030 0.000 1.040 819 T CA 0.457 62.600 62.100 0.072 0.000 1.107 819 T CB -0.132 68.795 68.868 0.098 0.000 0.932 819 T HN 0.397 nan 8.240 nan 0.000 0.474 820 M N 0.697 120.313 119.600 0.026 0.000 2.374 820 M HA 0.095 4.568 4.480 -0.011 0.000 0.264 820 M C 1.778 178.061 176.300 -0.028 0.000 1.067 820 M CA 1.379 56.680 55.300 0.000 0.000 1.103 820 M CB -0.483 32.122 32.600 0.008 0.000 1.402 820 M HN 0.245 nan 8.290 nan 0.000 0.444 821 I N -0.653 119.893 120.570 -0.040 0.000 2.400 821 I HA -0.188 3.975 4.170 -0.011 0.000 0.248 821 I C 2.663 178.768 176.117 -0.019 0.000 1.109 821 I CA 1.064 62.329 61.300 -0.058 0.000 1.425 821 I CB -0.382 37.553 38.000 -0.108 0.000 1.094 821 I HN 0.310 nan 8.210 nan 0.000 0.425 822 S N 0.727 116.427 115.700 0.000 0.000 2.383 822 S HA -0.140 4.324 4.470 -0.011 0.000 0.229 822 S C 1.937 176.535 174.600 -0.003 0.000 1.030 822 S CA 1.388 59.592 58.200 0.007 0.000 1.002 822 S CB -0.829 62.378 63.200 0.012 0.000 0.829 822 S HN 0.242 nan 8.310 nan 0.000 0.467 823 V N 2.195 122.104 119.914 -0.008 0.000 2.379 823 V HA 0.114 4.228 4.120 -0.011 0.000 0.243 823 V C 1.374 177.459 176.094 -0.015 0.000 1.035 823 V CA 1.438 63.731 62.300 -0.012 0.000 1.035 823 V CB -0.704 31.112 31.823 -0.012 0.000 0.673 823 V HN 0.723 nan 8.190 nan 0.000 0.457 824 N N 0.465 119.152 118.700 -0.021 0.000 2.851 824 N HA 0.181 4.915 4.740 -0.011 0.000 0.248 824 N C -2.362 173.127 175.510 -0.035 0.000 1.221 824 N CA -1.320 51.713 53.050 -0.028 0.000 0.847 824 N CB 2.056 40.524 38.487 -0.032 0.000 1.150 824 N HN 0.136 nan 8.380 nan 0.000 0.507 825 P HA 0.044 nan 4.420 nan 0.000 0.226 825 P C 0.890 178.185 177.300 -0.008 0.000 1.153 825 P CA 0.702 63.797 63.100 -0.009 0.000 0.777 825 P CB 0.360 32.061 31.700 0.001 0.000 0.794 826 S N -0.594 115.093 115.700 -0.021 0.000 2.481 826 S HA 0.005 4.469 4.470 -0.011 0.000 0.231 826 S C 2.094 176.677 174.600 -0.028 0.000 0.996 826 S CA 1.092 59.279 58.200 -0.022 0.000 0.942 826 S CB -1.058 62.127 63.200 -0.026 0.000 0.768 826 S HN 0.287 nan 8.310 nan 0.000 0.520 827 G N 1.520 110.290 108.800 -0.050 0.000 2.448 827 G HA2 -0.085 3.868 3.960 -0.011 0.000 0.218 827 G HA3 -0.085 3.868 3.960 -0.011 0.000 0.218 827 G C 1.500 176.353 174.900 -0.079 0.000 1.135 827 G CA 0.964 46.012 45.100 -0.088 0.000 0.784 827 G HN 0.541 nan 8.290 nan 0.000 0.543 828 V N -0.999 118.897 119.914 -0.030 0.000 2.725 828 V HA 0.120 4.234 4.120 -0.011 0.000 0.247 828 V C 2.592 178.795 176.094 0.181 0.000 1.058 828 V CA 0.765 63.087 62.300 0.036 0.000 1.080 828 V CB -0.513 31.332 31.823 0.036 0.000 0.713 828 V HN 0.309 nan 8.190 nan 0.000 0.465 829 I N 0.455 121.119 120.570 0.156 0.000 2.194 829 I HA -0.235 3.928 4.170 -0.011 0.000 0.246 829 I C 2.898 179.110 176.117 0.157 0.000 1.093 829 I CA 1.823 63.230 61.300 0.178 0.000 1.355 829 I CB -0.688 37.346 38.000 0.057 0.000 1.046 829 I HN 0.297 nan 8.210 nan 0.000 0.413 830 Q N 0.155 120.017 119.800 0.103 0.000 2.291 830 Q HA -0.136 4.198 4.340 -0.011 0.000 0.205 830 Q C 0.455 176.551 176.000 0.160 0.000 0.970 830 Q CA 1.103 56.965 55.803 0.098 0.000 0.876 830 Q CB -0.015 28.753 28.738 0.051 0.000 0.935 830 Q HN 0.582 nan 8.270 nan 0.000 0.455 831 D N -1.251 119.268 120.400 0.198 0.000 2.692 831 D HA 0.060 4.693 4.640 -0.011 0.000 0.290 831 D C 0.402 176.919 176.300 0.361 0.000 1.455 831 D CA -0.252 53.927 54.000 0.299 0.000 0.796 831 D CB -0.136 40.790 40.800 0.211 0.000 1.131 831 D HN 0.043 nan 8.370 nan 0.000 0.467 832 F N 1.288 121.336 119.950 0.162 0.000 2.373 832 F HA -0.161 4.361 4.527 -0.008 0.000 0.300 832 F C 1.876 177.873 175.800 0.328 0.000 1.080 832 F CA 0.738 58.826 58.000 0.146 0.000 1.417 832 F CB 0.160 39.087 39.000 -0.121 0.000 1.070 832 F HN 0.038 nan 8.300 nan 0.000 0.546 833 I N -0.362 120.523 120.570 0.525 0.000 2.113 833 I HA -0.273 3.891 4.170 -0.011 0.000 0.238 833 I C 2.006 178.225 176.117 0.171 0.000 1.070 833 I CA 1.940 63.518 61.300 0.463 0.000 1.332 833 I CB -0.842 37.330 38.000 0.287 0.000 1.044 833 I HN 0.028 nan 8.210 nan 0.000 0.402 834 F N -0.170 119.904 119.950 0.207 0.000 2.216 834 F HA -0.182 4.337 4.527 -0.013 0.000 0.300 834 F C 2.236 178.128 175.800 0.152 0.000 1.085 834 F CA 1.869 59.962 58.000 0.155 0.000 1.326 834 F CB -0.824 38.264 39.000 0.146 0.000 1.027 834 F HN 0.217 nan 8.300 nan 0.000 0.497 835 F N 0.073 120.102 119.950 0.131 0.000 2.171 835 F HA -0.222 4.300 4.527 -0.008 0.000 0.300 835 F C 2.214 177.957 175.800 -0.095 0.000 1.090 835 F CA 1.055 59.047 58.000 -0.013 0.000 1.293 835 F CB -0.874 37.972 39.000 -0.257 0.000 1.013 835 F HN -0.045 nan 8.300 nan 0.000 0.486 836 C N 0.241 119.360 119.300 -0.302 0.000 2.446 836 C HA -0.150 4.303 4.460 -0.011 0.000 0.277 836 C C 2.450 177.255 174.990 -0.308 0.000 1.275 836 C CA 1.386 60.159 59.018 -0.408 0.000 1.727 836 C CB -1.290 26.352 27.740 -0.163 0.000 2.010 836 C HN 0.593 nan 8.230 nan 0.000 0.486 837 D N 0.605 120.915 120.400 -0.150 0.000 2.350 837 D HA -0.032 4.602 4.640 -0.011 0.000 0.216 837 D C 1.937 178.192 176.300 -0.076 0.000 0.968 837 D CA 1.114 55.051 54.000 -0.105 0.000 0.894 837 D CB 0.033 40.801 40.800 -0.053 0.000 0.909 837 D HN 0.456 nan 8.370 nan 0.000 0.520 838 A N -0.592 122.191 122.820 -0.061 0.000 1.911 838 A HA 0.043 4.356 4.320 -0.011 0.000 0.212 838 A C 2.330 179.863 177.584 -0.085 0.000 1.189 838 A CA 0.783 52.856 52.037 0.060 0.000 0.639 838 A CB -0.427 18.756 19.000 0.305 0.000 0.839 838 A HN 0.166 nan 8.150 nan 0.000 0.449 839 V N 0.416 120.069 119.914 -0.434 0.000 2.295 839 V HA -0.266 3.847 4.120 -0.011 0.000 0.246 839 V C 3.049 178.948 176.094 -0.324 0.000 1.049 839 V CA 1.906 63.792 62.300 -0.690 0.000 1.024 839 V CB -1.475 29.748 31.823 -1.001 0.000 0.648 839 V HN 0.573 nan 8.190 nan 0.000 0.447 840 A N 0.540 123.222 122.820 -0.231 0.000 1.903 840 A HA -0.286 4.028 4.320 -0.011 0.000 0.219 840 A C 2.452 179.992 177.584 -0.073 0.000 1.191 840 A CA 2.515 54.492 52.037 -0.101 0.000 0.638 840 A CB -1.036 17.890 19.000 -0.124 0.000 0.823 840 A HN 0.566 nan 8.150 nan 0.000 0.451 841 S N -1.430 114.181 115.700 -0.149 0.000 2.428 841 S HA -0.227 4.236 4.470 -0.011 0.000 0.240 841 S C 0.225 174.656 174.600 -0.282 0.000 1.036 841 S CA 1.125 59.186 58.200 -0.233 0.000 1.009 841 S CB -0.580 62.425 63.200 -0.325 0.000 0.803 841 S HN 0.650 nan 8.310 nan 0.000 0.486 842 W N 0.872 122.041 121.300 -0.219 0.000 2.356 842 W HA 0.410 5.073 4.660 0.005 0.000 0.311 842 W C 1.054 177.565 176.519 -0.014 0.000 1.328 842 W CA -0.719 56.530 57.345 -0.159 0.000 1.251 842 W CB 0.053 29.375 29.460 -0.231 0.000 1.280 842 W HN 0.085 nan 8.180 nan 0.000 0.524 843 I N 2.006 122.710 120.570 0.225 0.000 2.499 843 I HA -0.035 4.128 4.170 -0.011 0.000 0.243 843 I C 0.726 177.033 176.117 0.317 0.000 1.085 843 I CA 0.718 62.149 61.300 0.219 0.000 1.422 843 I CB -0.198 37.862 38.000 0.100 0.000 1.165 843 I HN 0.361 nan 8.210 nan 0.000 0.440 844 N N 1.951 120.830 118.700 0.299 0.000 2.696 844 N HA 0.306 5.039 4.740 -0.011 0.000 0.246 844 N C -2.685 173.003 175.510 0.297 0.000 1.057 844 N CA -1.559 51.657 53.050 0.278 0.000 0.867 844 N CB 1.260 39.859 38.487 0.187 0.000 1.141 844 N HN -0.074 nan 8.380 nan 0.000 0.517 845 P HA 0.248 nan 4.420 nan 0.000 0.294 845 P C -1.009 176.209 177.300 -0.137 0.000 1.294 845 P CA -0.630 62.387 63.100 -0.139 0.000 0.827 845 P CB 0.920 32.441 31.700 -0.299 0.000 0.992 846 K N 2.108 122.395 120.400 -0.189 0.000 2.485 846 K HA -0.029 4.285 4.320 -0.011 0.000 0.277 846 K C 0.991 177.513 176.600 -0.130 0.000 0.990 846 K CA 0.101 56.317 56.287 -0.117 0.000 0.994 846 K CB 0.297 32.726 32.500 -0.119 0.000 0.906 846 K HN 0.483 nan 8.250 nan 0.000 0.488 847 D N 2.496 122.857 120.400 -0.066 0.000 2.127 847 D HA -0.226 4.408 4.640 -0.011 0.000 0.190 847 D C 1.280 177.532 176.300 -0.080 0.000 1.000 847 D CA 1.988 55.959 54.000 -0.049 0.000 0.839 847 D CB 0.062 40.854 40.800 -0.014 0.000 0.955 847 D HN 0.705 nan 8.370 nan 0.000 0.446 848 D N 0.614 120.962 120.400 -0.086 0.000 2.123 848 D HA -0.199 4.434 4.640 -0.011 0.000 0.196 848 D C 2.438 178.635 176.300 -0.171 0.000 0.992 848 D CA 0.864 54.807 54.000 -0.095 0.000 0.833 848 D CB -0.997 39.760 40.800 -0.071 0.000 0.954 848 D HN 0.368 nan 8.370 nan 0.000 0.455 849 L N -0.038 121.022 121.223 -0.271 0.000 2.072 849 L HA -0.010 4.324 4.340 -0.011 0.000 0.205 849 L C 2.642 179.102 176.870 -0.683 0.000 1.079 849 L CA 1.092 55.626 54.840 -0.511 0.000 0.752 849 L CB -0.463 41.238 42.059 -0.596 0.000 0.906 849 L HN -0.136 nan 8.230 nan 0.000 0.436 850 R N 0.190 120.451 120.500 -0.397 0.000 2.096 850 R HA -0.206 4.127 4.340 -0.011 0.000 0.240 850 R C 1.836 178.148 176.300 0.020 0.000 1.139 850 R CA 2.283 58.310 56.100 -0.122 0.000 0.952 850 R CB -0.781 29.429 30.300 -0.150 0.000 0.854 850 R HN 0.509 nan 8.270 nan 0.000 0.436 851 D N 0.238 120.614 120.400 -0.040 0.000 2.117 851 D HA -0.184 4.449 4.640 -0.011 0.000 0.197 851 D C 2.058 178.352 176.300 -0.010 0.000 0.987 851 D CA 1.244 55.258 54.000 0.024 0.000 0.829 851 D CB -0.264 40.536 40.800 -0.001 0.000 0.961 851 D HN 0.304 nan 8.370 nan 0.000 0.460 852 M N -0.177 119.335 119.600 -0.146 0.000 2.082 852 M HA -0.199 4.275 4.480 -0.011 0.000 0.258 852 M C 2.101 178.365 176.300 -0.060 0.000 1.069 852 M CA 1.307 56.515 55.300 -0.152 0.000 1.102 852 M CB -0.349 32.083 32.600 -0.281 0.000 1.336 852 M HN -0.031 nan 8.290 nan 0.000 0.404 853 F N -0.132 119.805 119.950 -0.022 0.000 2.069 853 F HA -0.269 4.250 4.527 -0.013 0.000 0.298 853 F C 2.897 178.632 175.800 -0.108 0.000 1.113 853 F CA 1.391 59.339 58.000 -0.086 0.000 1.214 853 F CB -1.719 37.059 39.000 -0.370 0.000 0.978 853 F HN 0.328 nan 8.300 nan 0.000 0.474 854 C N 0.991 120.366 119.300 0.125 0.000 2.401 854 C HA -0.253 4.201 4.460 -0.011 0.000 0.276 854 C C 2.748 177.906 174.990 0.279 0.000 1.233 854 C CA 1.480 60.638 59.018 0.234 0.000 1.753 854 C CB -1.206 26.778 27.740 0.407 0.000 2.029 854 C HN 0.430 nan 8.230 nan 0.000 0.478 855 K N 0.494 121.011 120.400 0.196 0.000 2.097 855 K HA -0.039 4.275 4.320 -0.011 0.000 0.206 855 K C 1.918 178.639 176.600 0.201 0.000 1.049 855 K CA 1.455 57.844 56.287 0.170 0.000 0.933 855 K CB -0.211 32.348 32.500 0.098 0.000 0.717 855 K HN 0.470 nan 8.250 nan 0.000 0.442 856 I N 1.005 121.711 120.570 0.226 0.000 2.058 856 I HA -0.291 3.873 4.170 -0.011 0.000 0.235 856 I C 2.190 178.526 176.117 0.365 0.000 1.053 856 I CA 1.642 63.116 61.300 0.289 0.000 1.313 856 I CB -1.064 37.156 38.000 0.368 0.000 1.039 856 I HN 0.132 nan 8.210 nan 0.000 0.396 857 L N -0.257 121.185 121.223 0.365 0.000 2.013 857 L HA -0.282 4.052 4.340 -0.011 0.000 0.212 857 L C 2.790 179.732 176.870 0.119 0.000 1.073 857 L CA 1.536 56.570 54.840 0.323 0.000 0.753 857 L CB -1.022 41.101 42.059 0.106 0.000 0.890 857 L HN 0.341 nan 8.230 nan 0.000 0.432 858 H N -0.381 118.754 119.070 0.109 0.000 2.389 858 H HA -0.078 4.471 4.556 -0.011 0.000 0.299 858 H C 2.226 177.563 175.328 0.015 0.000 1.081 858 H CA 1.551 57.611 56.048 0.021 0.000 1.345 858 H CB -0.224 29.558 29.762 0.034 0.000 1.393 858 H HN 0.396 nan 8.280 nan 0.000 0.520 859 G N 0.148 109.056 108.800 0.179 0.000 2.402 859 G HA2 -0.258 3.695 3.960 -0.011 0.000 0.216 859 G HA3 -0.258 3.695 3.960 -0.011 0.000 0.216 859 G C 1.719 176.647 174.900 0.045 0.000 1.162 859 G CA 0.468 45.626 45.100 0.096 0.000 0.777 859 G HN 0.388 nan 8.290 nan 0.000 0.539 860 F N 1.418 121.317 119.950 -0.084 0.000 2.095 860 F HA -0.062 4.460 4.527 -0.009 0.000 0.298 860 F C 2.594 178.267 175.800 -0.212 0.000 1.104 860 F CA 2.294 60.147 58.000 -0.244 0.000 1.232 860 F CB -0.067 38.626 39.000 -0.512 0.000 0.987 860 F HN 0.104 nan 8.300 nan 0.000 0.475 861 K N 0.267 120.666 120.400 -0.002 0.000 2.002 861 K HA -0.239 4.074 4.320 -0.011 0.000 0.209 861 K C 1.878 178.375 176.600 -0.172 0.000 1.048 861 K CA 1.802 57.977 56.287 -0.188 0.000 0.930 861 K CB -0.366 31.830 32.500 -0.506 0.000 0.714 861 K HN 0.217 nan 8.250 nan 0.000 0.438 862 N N 0.723 119.358 118.700 -0.109 0.000 2.258 862 N HA -0.169 4.564 4.740 -0.011 0.000 0.187 862 N C 1.625 177.067 175.510 -0.113 0.000 1.012 862 N CA 0.997 54.001 53.050 -0.076 0.000 0.870 862 N CB -0.003 38.466 38.487 -0.029 0.000 0.977 862 N HN 0.288 nan 8.380 nan 0.000 0.434 863 Q N -0.592 119.094 119.800 -0.191 0.000 2.339 863 Q HA 0.128 4.461 4.340 -0.011 0.000 0.205 863 Q C 1.610 177.445 176.000 -0.275 0.000 0.925 863 Q CA 0.304 55.972 55.803 -0.225 0.000 0.898 863 Q CB 0.231 28.817 28.738 -0.253 0.000 1.013 863 Q HN 0.203 nan 8.270 nan 0.000 0.504 864 V N -0.757 118.935 119.914 -0.371 0.000 3.307 864 V HA 0.301 4.414 4.120 -0.011 0.000 0.253 864 V C 0.312 176.330 176.094 -0.127 0.000 1.149 864 V CA 1.157 63.266 62.300 -0.319 0.000 1.112 864 V CB 0.488 31.985 31.823 -0.543 0.000 0.777 864 V HN 0.444 nan 8.190 nan 0.000 0.464 865 G N 0.340 109.095 108.800 -0.075 0.000 2.697 865 G HA2 -0.172 3.782 3.960 -0.011 0.000 0.686 865 G HA3 -0.172 3.782 3.960 -0.011 0.000 0.686 865 G C -0.172 174.787 174.900 0.098 0.000 1.179 865 G CA 0.077 45.180 45.100 0.005 0.000 0.765 865 G HN 0.217 nan 8.290 nan 0.000 0.649 866 D N 0.305 120.767 120.400 0.104 0.000 2.183 866 D HA 0.010 4.644 4.640 -0.011 0.000 0.203 866 D C 2.257 178.712 176.300 0.258 0.000 0.969 866 D CA 1.897 56.009 54.000 0.188 0.000 0.842 866 D CB 0.241 41.113 40.800 0.120 0.000 0.957 866 D HN 0.571 nan 8.370 nan 0.000 0.484 867 E N -0.093 120.204 120.200 0.163 0.000 2.158 867 E HA -0.008 4.336 4.350 -0.011 0.000 0.191 867 E C 1.651 178.333 176.600 0.136 0.000 0.982 867 E CA 0.567 57.047 56.400 0.133 0.000 0.823 867 E CB -0.348 29.401 29.700 0.082 0.000 0.766 867 E HN 0.233 nan 8.360 nan 0.000 0.468 868 N N 0.204 118.990 118.700 0.143 0.000 2.300 868 N HA -0.104 4.629 4.740 -0.011 0.000 0.179 868 N C 1.272 176.925 175.510 0.238 0.000 1.016 868 N CA 0.674 53.805 53.050 0.135 0.000 0.876 868 N CB -0.232 38.298 38.487 0.071 0.000 0.979 868 N HN 0.370 nan 8.380 nan 0.000 0.432 869 W N 3.131 124.509 121.300 0.131 0.000 2.354 869 W HA -0.186 4.467 4.660 -0.013 0.000 0.315 869 W C 2.191 178.864 176.519 0.257 0.000 1.206 869 W CA 1.215 58.715 57.345 0.258 0.000 1.290 869 W CB -0.385 29.209 29.460 0.225 0.000 1.152 869 W HN 0.022 nan 8.180 nan 0.000 0.489 870 R N 0.647 121.241 120.500 0.156 0.000 2.206 870 R HA -0.337 3.996 4.340 -0.011 0.000 0.240 870 R C 2.541 178.786 176.300 -0.093 0.000 1.117 870 R CA 3.084 59.189 56.100 0.009 0.000 0.915 870 R CB -1.020 29.338 30.300 0.097 0.000 0.888 870 R HN 0.085 nan 8.270 nan 0.000 0.432 871 R N -0.908 119.587 120.500 -0.008 0.000 2.134 871 R HA -0.228 4.105 4.340 -0.011 0.000 0.248 871 R C 2.268 178.522 176.300 -0.077 0.000 1.143 871 R CA 2.420 58.505 56.100 -0.025 0.000 0.957 871 R CB -0.531 29.789 30.300 0.033 0.000 0.867 871 R HN 0.453 nan 8.270 nan 0.000 0.441 872 F N 0.436 120.263 119.950 -0.205 0.000 2.206 872 F HA -0.124 4.396 4.527 -0.011 0.000 0.298 872 F C 2.104 177.557 175.800 -0.579 0.000 1.090 872 F CA 1.494 59.327 58.000 -0.279 0.000 1.323 872 F CB -0.071 38.864 39.000 -0.108 0.000 1.028 872 F HN -0.035 nan 8.300 nan 0.000 0.492 873 S N -0.016 115.207 115.700 -0.796 0.000 2.370 873 S HA -0.209 4.255 4.470 -0.011 0.000 0.226 873 S C 0.709 174.742 174.600 -0.945 0.000 1.033 873 S CA 1.376 59.001 58.200 -0.959 0.000 1.011 873 S CB -0.597 62.253 63.200 -0.583 0.000 0.852 873 S HN 0.402 nan 8.310 nan 0.000 0.457 874 D N 1.636 121.697 120.400 -0.564 0.000 2.924 874 D HA 0.074 4.708 4.640 -0.011 0.000 0.239 874 D C 0.956 176.971 176.300 -0.476 0.000 1.198 874 D CA 0.373 54.139 54.000 -0.389 0.000 0.958 874 D CB -0.160 40.506 40.800 -0.223 0.000 1.169 874 D HN 0.553 nan 8.370 nan 0.000 0.438 875 Q N -0.839 118.482 119.800 -0.799 0.000 2.474 875 Q HA 0.133 4.466 4.340 -0.011 0.000 0.191 875 Q C 0.333 176.021 176.000 -0.519 0.000 0.700 875 Q CA -0.310 55.084 55.803 -0.681 0.000 0.849 875 Q CB 0.228 28.451 28.738 -0.859 0.000 1.232 875 Q HN 0.324 nan 8.270 nan 0.000 0.563 876 F N 2.718 122.483 119.950 -0.309 0.000 2.602 876 F HA 0.259 4.781 4.527 -0.009 0.000 0.367 876 F C -2.078 173.626 175.800 -0.161 0.000 1.126 876 F CA -2.296 55.564 58.000 -0.234 0.000 1.321 876 F CB -0.759 38.093 39.000 -0.246 0.000 1.094 876 F HN -0.049 nan 8.300 nan 0.000 0.594 877 P HA -0.063 nan 4.420 nan 0.000 0.268 877 P C 0.996 178.327 177.300 0.051 0.000 1.208 877 P CA -0.430 62.692 63.100 0.036 0.000 0.777 877 P CB 0.667 32.372 31.700 0.008 0.000 0.875 878 L N 3.722 124.962 121.223 0.029 0.000 2.051 878 L HA -0.130 4.204 4.340 -0.011 0.000 0.214 878 L C -0.829 176.045 176.870 0.006 0.000 1.076 878 L CA 2.630 57.485 54.840 0.025 0.000 0.758 878 L CB -2.404 39.663 42.059 0.013 0.000 0.890 878 L HN 0.409 nan 8.230 nan 0.000 0.433 879 P HA -0.090 nan 4.420 nan 0.000 0.249 879 P C 0.864 178.142 177.300 -0.036 0.000 1.227 879 P CA 0.865 63.954 63.100 -0.018 0.000 0.753 879 P CB 0.183 31.872 31.700 -0.018 0.000 0.966 880 L N -1.620 119.572 121.223 -0.052 0.000 2.769 880 L HA 0.203 4.536 4.340 -0.011 0.000 0.175 880 L C 2.204 178.940 176.870 -0.222 0.000 1.099 880 L CA 0.807 55.559 54.840 -0.148 0.000 0.876 880 L CB -1.084 40.861 42.059 -0.190 0.000 1.498 880 L HN -0.327 nan 8.230 nan 0.000 0.499 881 K N 0.711 121.015 120.400 -0.160 0.000 2.066 881 K HA -0.305 4.008 4.320 -0.011 0.000 0.221 881 K C 1.922 178.512 176.600 -0.017 0.000 1.056 881 K CA 2.606 58.856 56.287 -0.062 0.000 0.950 881 K CB -0.258 32.367 32.500 0.207 0.000 0.726 881 K HN 0.202 nan 8.250 nan 0.000 0.456 882 E N -0.416 119.792 120.200 0.013 0.000 2.076 882 E HA 0.013 4.357 4.350 -0.011 0.000 0.190 882 E C 2.016 178.631 176.600 0.024 0.000 0.979 882 E CA 0.576 56.996 56.400 0.033 0.000 0.807 882 E CB -0.057 29.657 29.700 0.024 0.000 0.761 882 E HN 0.180 nan 8.360 nan 0.000 0.454 883 R N 0.106 120.605 120.500 -0.001 0.000 2.211 883 R HA -0.123 4.211 4.340 -0.011 0.000 0.240 883 R C 1.695 178.050 176.300 0.092 0.000 1.144 883 R CA 0.941 57.051 56.100 0.017 0.000 0.992 883 R CB -0.162 30.140 30.300 0.004 0.000 0.869 883 R HN 0.280 nan 8.270 nan 0.000 0.462 884 L N -1.640 119.634 121.223 0.086 0.000 2.316 884 L HA 0.163 4.496 4.340 -0.011 0.000 0.207 884 L C 2.349 179.378 176.870 0.267 0.000 1.070 884 L CA 0.672 55.650 54.840 0.230 0.000 0.820 884 L CB -0.275 41.822 42.059 0.064 0.000 0.992 884 L HN -0.023 nan 8.230 nan 0.000 0.466 885 A N 0.178 123.105 122.820 0.179 0.000 2.066 885 A HA 0.069 4.382 4.320 -0.011 0.000 0.218 885 A C 2.389 180.057 177.584 0.140 0.000 1.157 885 A CA 1.379 53.530 52.037 0.190 0.000 0.670 885 A CB -0.378 18.735 19.000 0.187 0.000 0.804 885 A HN 0.343 nan 8.150 nan 0.000 0.453 886 A N -1.014 121.862 122.820 0.093 0.000 1.835 886 A HA 0.103 4.417 4.320 -0.011 0.000 0.213 886 A C 2.065 179.661 177.584 0.021 0.000 1.210 886 A CA 1.227 53.279 52.037 0.025 0.000 0.605 886 A CB -0.783 18.191 19.000 -0.043 0.000 0.860 886 A HN 0.497 nan 8.150 nan 0.000 0.447 887 F N -1.537 118.303 119.950 -0.183 0.000 2.146 887 F HA -0.173 4.344 4.527 -0.016 0.000 0.298 887 F C 1.994 177.475 175.800 -0.533 0.000 1.096 887 F CA 1.397 59.117 58.000 -0.467 0.000 1.275 887 F CB 0.115 38.618 39.000 -0.827 0.000 1.008 887 F HN 0.360 nan 8.300 nan 0.000 0.480 888 Y N -0.675 119.806 120.300 0.302 0.000 2.498 888 Y HA 0.394 4.936 4.550 -0.013 0.000 0.259 888 Y C 0.825 176.890 175.900 0.275 0.000 1.086 888 Y CA 0.239 58.482 58.100 0.239 0.000 1.287 888 Y CB 0.166 38.720 38.460 0.156 0.000 1.146 888 Y HN -0.049 nan 8.280 nan 0.000 0.523 889 G N 1.238 110.225 108.800 0.313 0.000 3.269 889 G HA2 0.014 3.967 3.960 -0.011 0.000 0.668 889 G HA3 0.014 3.967 3.960 -0.011 0.000 0.668 889 G C -0.359 174.648 174.900 0.177 0.000 1.100 889 G CA -0.762 44.486 45.100 0.247 0.000 0.940 889 G HN 0.409 nan 8.290 nan 0.000 0.438 890 V N 0.000 120.018 119.914 0.174 0.000 2.409 890 V HA 0.000 4.113 4.120 -0.011 0.000 0.244 890 V CA 0.000 62.410 62.300 0.183 0.000 1.235 890 V CB 0.000 31.906 31.823 0.139 0.000 1.184 890 V HN 0.000 nan 8.190 nan 0.000 0.556