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 2h4m_1_B DATA FIRST_RESID 6 DATA SEQUENCE KPDEQGLQQI LQLLKESQSP DTTIQRTVQQ KXXXXXXXPD FNNYLIFVLT DATA SEQUENCE XXXSEDEPTR SLSGLILKNN XXXXFQNFPN GVTDFIKSEC LNNIGDSSPL DATA SEQUENCE IRATVGILIT TIASKGELQN WPDLLPKLCS LLDSEDYNTC EGAFGALQKI DATA SEQUENCE CEDXXXXXXX XXXXXPLNIM IPKFLQFFKH SSPKIRSHAV ACVNQFIISR DATA SEQUENCE TQALMLHIDS FIENLFALAG DEEPEVRKNV CRALVMLLEV RMDRLLPHMH DATA SEQUENCE NIVEYMLQRT QDQDENVALE AcEFWLTLAE QPICKDVLVR HLPKLIPVLV DATA SEQUENCE NGMKYSDIDI ILLKXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXTISDWNL RKcSAAALDV LANVYRDELL PHILPLLKEL DATA SEQUENCE LFHHEWVVKE SGILVLGAIA EGCMQGMIPY LPELIPHLIQ CLSDKKALVR DATA SEQUENCE SITCWTLSRY AHWVVSQPPD TYLKPLMTEL LKRILDSNKR VQEAACSAFA DATA SEQUENCE TLEEEACTEL VPYLAYILDT LVFAFSKYQH KNLLILYDAI GTLADSVGHH DATA SEQUENCE LNKPEYIQML MPPLIQKWNM LKDEDKDLFP LLECLSSVAT ALQSGFLPYC DATA SEQUENCE EPVYQRCVNL VQKTLAQAML NNAQPDQYEA PDKDFMIVAL DLLSGLAEGL DATA SEQUENCE GGNIEQLVAR SNILTLMYQC MQDKMPEVRQ SSFALLGDLT KACFQHVKPC DATA SEQUENCE IADFMPILGT NLNPEFISVC NNATWAIGEI SIQMGIEMQP YIPMVLHQLV DATA SEQUENCE EIINRPNTPK TLLENTAITI GRLGYVCPQE VAPMLQQFIR PWCTSLRNIR DATA SEQUENCE DNEEKDSAFR GICTMISVNP SGVIQDFIFF CDAVASWINP KDDLRDMFCK DATA SEQUENCE ILHGFKNQVG DENWRRFSDQ FPLPLKERLA AFYGV 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 6 K HA 0.000 nan 4.320 nan 0.000 0.191 6 K C 0.000 176.599 176.600 -0.001 0.000 0.988 6 K CA 0.000 56.286 56.287 -0.002 0.000 0.838 6 K CB 0.000 32.499 32.500 -0.002 0.000 1.064 7 P HA 0.343 nan 4.420 nan 0.000 0.245 7 P C 1.428 178.727 177.300 -0.002 0.000 1.146 7 P CA 1.974 65.073 63.100 -0.002 0.000 0.923 7 P CB 0.733 32.432 31.700 -0.002 0.000 1.081 8 D N -0.939 119.460 120.400 -0.002 0.000 2.277 8 D HA 0.155 4.800 4.640 0.007 0.000 0.208 8 D C 1.834 178.133 176.300 -0.002 0.000 0.962 8 D CA 1.753 55.752 54.000 -0.002 0.000 0.865 8 D CB -0.514 40.284 40.800 -0.003 0.000 0.939 8 D HN 0.543 nan 8.370 nan 0.000 0.510 9 E N -0.980 119.220 120.200 -0.001 0.000 2.216 9 E HA 0.119 4.473 4.350 0.007 0.000 0.192 9 E C 2.300 178.901 176.600 0.000 0.000 0.988 9 E CA 1.396 57.796 56.400 -0.001 0.000 0.834 9 E CB -1.240 28.460 29.700 -0.000 0.000 0.772 9 E HN 0.790 nan 8.360 nan 0.000 0.479 10 Q N -0.162 119.638 119.800 -0.000 0.000 2.297 10 Q HA 0.269 4.614 4.340 0.007 0.000 0.204 10 Q C 2.440 178.441 176.000 0.000 0.000 0.962 10 Q CA 1.310 57.113 55.803 0.000 0.000 0.879 10 Q CB -0.509 28.229 28.738 -0.000 0.000 0.947 10 Q HN 0.662 nan 8.270 nan 0.000 0.462 11 G N -1.012 107.788 108.800 -0.000 0.000 2.939 11 G HA2 0.319 4.283 3.960 0.007 0.000 0.210 11 G HA3 0.319 4.283 3.960 0.007 0.000 0.210 11 G C 1.443 176.343 174.900 -0.000 0.000 1.160 11 G CA 0.907 46.007 45.100 -0.000 0.000 0.770 11 G HN 0.965 nan 8.290 nan 0.000 0.543 12 L N -0.810 120.413 121.223 0.000 0.000 2.341 12 L HA 0.500 4.844 4.340 0.007 0.000 0.214 12 L C 2.697 179.567 176.870 0.001 0.000 1.115 12 L CA 1.996 56.837 54.840 0.001 0.000 0.820 12 L CB -1.597 40.462 42.059 0.000 0.000 0.944 12 L HN 0.470 nan 8.230 nan 0.000 0.452 13 Q N -0.791 119.009 119.800 0.001 0.000 2.230 13 Q HA -0.017 4.327 4.340 0.007 0.000 0.202 13 Q C 2.078 178.079 176.000 0.002 0.000 0.963 13 Q CA 2.118 57.922 55.803 0.002 0.000 0.866 13 Q CB -0.957 27.783 28.738 0.002 0.000 0.931 13 Q HN 1.066 nan 8.270 nan 0.000 0.452 14 Q N -0.871 118.930 119.800 0.001 0.000 2.424 14 Q HA 0.509 4.853 4.340 0.007 0.000 0.204 14 Q C 2.161 178.161 176.000 0.001 0.000 0.933 14 Q CA 1.254 57.058 55.803 0.001 0.000 0.929 14 Q CB -0.699 28.039 28.738 0.000 0.000 1.037 14 Q HN 1.283 nan 8.270 nan 0.000 0.511 15 I N -1.247 119.323 120.570 0.001 0.000 2.703 15 I HA 0.531 4.705 4.170 0.007 0.000 0.259 15 I C 2.527 178.645 176.117 0.001 0.000 1.151 15 I CA 1.455 62.755 61.300 0.001 0.000 1.470 15 I CB -0.755 37.245 38.000 0.000 0.000 1.112 15 I HN 0.717 nan 8.210 nan 0.000 0.437 16 L N -0.632 120.592 121.223 0.002 0.000 2.607 16 L HA 0.589 4.933 4.340 0.007 0.000 0.228 16 L C 2.124 178.995 176.870 0.003 0.000 1.123 16 L CA 1.584 56.426 54.840 0.003 0.000 0.890 16 L CB -1.658 40.403 42.059 0.003 0.000 1.103 16 L HN 0.830 nan 8.230 nan 0.000 0.468 17 Q N -1.086 118.715 119.800 0.002 0.000 2.378 17 Q HA 0.495 4.839 4.340 0.007 0.000 0.216 17 Q C 2.033 178.034 176.000 0.002 0.000 0.892 17 Q CA 1.409 57.214 55.803 0.002 0.000 0.931 17 Q CB -0.451 28.288 28.738 0.002 0.000 1.086 17 Q HN 1.394 nan 8.270 nan 0.000 0.528 18 L N -0.937 120.287 121.223 0.001 0.000 2.509 18 L HA 0.703 5.047 4.340 0.007 0.000 0.222 18 L C 2.493 179.364 176.870 0.001 0.000 1.123 18 L CA 1.375 56.215 54.840 0.001 0.000 0.856 18 L CB -1.097 40.962 42.059 0.000 0.000 0.985 18 L HN 0.918 nan 8.230 nan 0.000 0.456 19 L N -2.093 119.131 121.223 0.001 0.000 2.653 19 L HA 0.719 5.063 4.340 0.007 0.000 0.231 19 L C 2.071 178.943 176.870 0.002 0.000 1.153 19 L CA 1.242 56.083 54.840 0.002 0.000 0.933 19 L CB -1.444 40.616 42.059 0.002 0.000 1.175 19 L HN 0.682 nan 8.230 nan 0.000 0.473 20 K N -0.953 119.448 120.400 0.002 0.000 2.529 20 K HA 0.621 4.945 4.320 0.007 0.000 0.215 20 K C 0.741 177.342 176.600 0.002 0.000 1.286 20 K CA 0.798 57.087 56.287 0.002 0.000 0.997 20 K CB -0.313 32.189 32.500 0.003 0.000 1.063 20 K HN 1.081 nan 8.250 nan 0.000 0.590 21 E N 0.509 120.710 120.200 0.001 0.000 2.316 21 E HA 0.562 4.916 4.350 0.007 0.000 0.275 21 E C 1.314 177.914 176.600 0.001 0.000 1.029 21 E CA 0.150 56.551 56.400 0.001 0.000 0.871 21 E CB 0.474 30.174 29.700 0.001 0.000 1.022 21 E HN 0.752 nan 8.360 nan 0.000 0.418 22 S N 1.006 116.707 115.700 0.001 0.000 2.419 22 S HA 0.227 4.701 4.470 0.007 0.000 0.233 22 S C 1.689 176.289 174.600 0.000 0.000 1.016 22 S CA 1.455 59.656 58.200 0.001 0.000 0.974 22 S CB -0.584 62.616 63.200 0.001 0.000 0.786 22 S HN 1.344 nan 8.310 nan 0.000 0.492 23 Q N 0.055 119.855 119.800 0.000 0.000 2.333 23 Q HA 0.570 4.914 4.340 0.007 0.000 0.299 23 Q C 1.316 177.316 176.000 -0.000 0.000 1.067 23 Q CA 0.460 56.263 55.803 0.000 0.000 0.943 23 Q CB -0.780 27.958 28.738 -0.000 0.000 1.233 23 Q HN 0.965 nan 8.270 nan 0.000 0.401 24 S N 1.865 117.565 115.700 -0.000 0.000 2.461 24 S HA 0.255 4.729 4.470 0.007 0.000 0.228 24 S C 0.919 175.518 174.600 -0.001 0.000 1.005 24 S CA 1.278 59.478 58.200 -0.001 0.000 0.942 24 S CB -0.869 62.331 63.200 -0.001 0.000 0.776 24 S HN 0.913 nan 8.310 nan 0.000 0.514 25 P HA 0.185 nan 4.420 nan 0.000 0.220 25 P C 1.141 178.440 177.300 -0.001 0.000 1.152 25 P CA 1.764 64.864 63.100 -0.001 0.000 0.812 25 P CB -0.516 31.183 31.700 -0.001 0.000 0.792 26 D N -3.016 117.384 120.400 -0.001 0.000 2.350 26 D HA 0.282 4.926 4.640 0.007 0.000 0.213 26 D C 1.760 178.060 176.300 -0.000 0.000 1.031 26 D CA 1.521 55.520 54.000 -0.000 0.000 0.861 26 D CB -0.995 39.805 40.800 -0.000 0.000 0.926 26 D HN 0.428 nan 8.370 nan 0.000 0.520 27 T N -2.267 112.286 114.554 -0.001 0.000 3.067 27 T HA 0.346 4.700 4.350 0.007 0.000 0.261 27 T C 2.171 176.870 174.700 -0.001 0.000 1.110 27 T CA 2.234 64.334 62.100 -0.001 0.000 1.113 27 T CB -0.346 68.522 68.868 -0.000 0.000 0.917 27 T HN 0.424 nan 8.240 nan 0.000 0.499 28 T N -0.053 114.500 114.554 -0.001 0.000 3.042 28 T HA 0.519 4.873 4.350 0.007 0.000 0.245 28 T C 2.340 177.039 174.700 -0.002 0.000 1.029 28 T CA 1.286 63.385 62.100 -0.002 0.000 1.120 28 T CB -0.524 68.343 68.868 -0.002 0.000 0.917 28 T HN 0.414 nan 8.240 nan 0.000 0.467 29 I N 1.350 121.919 120.570 -0.001 0.000 2.353 29 I HA 0.344 4.519 4.170 0.007 0.000 0.248 29 I C 2.753 178.869 176.117 -0.001 0.000 1.119 29 I CA 2.130 63.429 61.300 -0.002 0.000 1.417 29 I CB -1.815 36.184 38.000 -0.001 0.000 1.078 29 I HN 0.614 nan 8.210 nan 0.000 0.421 30 Q N 0.433 120.232 119.800 -0.001 0.000 2.311 30 Q HA 0.006 4.350 4.340 0.007 0.000 0.203 30 Q C 2.477 178.476 176.000 -0.001 0.000 0.954 30 Q CA 1.871 57.673 55.803 -0.001 0.000 0.885 30 Q CB -1.229 27.509 28.738 -0.000 0.000 0.963 30 Q HN 0.937 nan 8.270 nan 0.000 0.471 31 R N 0.021 120.521 120.500 -0.001 0.000 2.148 31 R HA 0.149 4.493 4.340 0.007 0.000 0.223 31 R C 2.528 178.827 176.300 -0.002 0.000 1.088 31 R CA 2.193 58.293 56.100 -0.001 0.000 0.985 31 R CB -1.641 28.658 30.300 -0.002 0.000 0.880 31 R HN 0.780 nan 8.270 nan 0.000 0.451 32 T N -0.685 113.867 114.554 -0.002 0.000 3.035 32 T HA 0.433 4.787 4.350 0.007 0.000 0.259 32 T C 2.324 177.022 174.700 -0.003 0.000 1.078 32 T CA 1.509 63.607 62.100 -0.003 0.000 1.132 32 T CB -0.166 68.700 68.868 -0.003 0.000 0.900 32 T HN 0.539 nan 8.240 nan 0.000 0.480 33 V N 0.621 120.533 119.914 -0.002 0.000 2.951 33 V HA 0.307 4.431 4.120 0.007 0.000 0.255 33 V C 2.650 178.742 176.094 -0.002 0.000 1.088 33 V CA 2.007 64.305 62.300 -0.002 0.000 1.109 33 V CB -1.400 30.422 31.823 -0.002 0.000 0.724 33 V HN 0.663 nan 8.190 nan 0.000 0.471 34 Q N -0.024 119.775 119.800 -0.002 0.000 1.889 34 Q HA -0.024 4.320 4.340 0.007 0.000 0.211 34 Q C 1.945 177.944 176.000 -0.002 0.000 0.988 34 Q CA 2.068 57.870 55.803 -0.001 0.000 0.861 34 Q CB -1.260 27.478 28.738 -0.001 0.000 0.922 34 Q HN 1.523 nan 8.270 nan 0.000 0.425 35 Q N 0.901 120.700 119.800 -0.002 0.000 2.641 35 Q HA 0.539 4.883 4.340 0.007 0.000 0.225 35 Q C 0.170 176.168 176.000 -0.004 0.000 1.309 35 Q CA 0.574 56.375 55.803 -0.003 0.000 0.935 35 Q CB -1.469 27.267 28.738 -0.003 0.000 1.557 35 Q HN 1.088 nan 8.270 nan 0.000 0.563 45 D N -2.449 117.945 120.400 -0.010 0.000 2.363 45 D HA 0.388 5.032 4.640 0.007 0.000 0.226 45 D C 1.469 177.760 176.300 -0.016 0.000 1.020 45 D CA 2.100 56.092 54.000 -0.012 0.000 0.892 45 D CB -0.674 40.117 40.800 -0.015 0.000 0.900 45 D HN 0.969 nan 8.370 nan 0.000 0.531 46 F N -0.398 119.543 119.950 -0.015 0.000 2.592 46 F HA 0.336 4.867 4.527 0.007 0.000 0.280 46 F C 2.659 178.452 175.800 -0.011 0.000 1.083 46 F CA 1.157 59.147 58.000 -0.016 0.000 1.365 46 F CB -0.819 38.170 39.000 -0.019 0.000 1.100 46 F HN 0.543 nan 8.300 nan 0.000 0.633 47 N N 1.262 119.957 118.700 -0.008 0.000 2.188 47 N HA -0.171 4.573 4.740 0.007 0.000 0.184 47 N C 1.849 177.357 175.510 -0.003 0.000 1.018 47 N CA 2.492 55.539 53.050 -0.005 0.000 0.858 47 N CB -2.072 36.412 38.487 -0.005 0.000 0.989 47 N HN 0.853 nan 8.380 nan 0.000 0.426 48 N N -0.609 118.090 118.700 -0.002 0.000 2.043 48 N HA -0.159 4.585 4.740 0.007 0.000 0.193 48 N C 2.292 177.803 175.510 0.003 0.000 1.037 48 N CA 2.898 55.948 53.050 0.001 0.000 0.851 48 N CB -1.754 36.733 38.487 0.001 0.000 1.027 48 N HN 1.011 nan 8.380 nan 0.000 0.422 49 Y N -0.141 120.160 120.300 0.002 0.000 2.315 49 Y HA 0.226 4.780 4.550 0.007 0.000 0.288 49 Y C 3.421 179.324 175.900 0.005 0.000 1.154 49 Y CA 2.460 60.563 58.100 0.005 0.000 1.229 49 Y CB -1.373 37.087 38.460 0.001 0.000 0.980 49 Y HN 0.743 nan 8.280 nan 0.000 0.540 50 L N 0.408 121.632 121.223 0.002 0.000 2.109 50 L HA 0.110 4.454 4.340 0.007 0.000 0.207 50 L C 2.867 179.740 176.870 0.005 0.000 1.086 50 L CA 2.405 57.247 54.840 0.003 0.000 0.760 50 L CB -1.978 40.081 42.059 0.001 0.000 0.910 50 L HN 0.977 nan 8.230 nan 0.000 0.437 51 I N -1.689 118.884 120.570 0.005 0.000 2.394 51 I HA 0.129 4.303 4.170 0.007 0.000 0.251 51 I C 2.751 178.873 176.117 0.009 0.000 1.136 51 I CA 2.612 63.916 61.300 0.006 0.000 1.425 51 I CB -1.774 36.229 38.000 0.005 0.000 1.079 51 I HN 0.725 nan 8.210 nan 0.000 0.425 52 F N 0.051 120.007 119.950 0.010 0.000 2.262 52 F HA 0.395 4.926 4.527 0.007 0.000 0.292 52 F C 2.551 178.361 175.800 0.016 0.000 1.081 52 F CA 1.617 59.625 58.000 0.014 0.000 1.355 52 F CB -0.684 38.325 39.000 0.015 0.000 1.069 52 F HN 0.491 nan 8.300 nan 0.000 0.506 53 V N -0.221 119.702 119.914 0.015 0.000 2.878 53 V HA 0.331 4.455 4.120 0.007 0.000 0.250 53 V C 2.080 178.183 176.094 0.015 0.000 1.075 53 V CA 2.643 64.954 62.300 0.017 0.000 1.096 53 V CB -0.213 31.621 31.823 0.018 0.000 0.724 53 V HN 1.053 nan 8.190 nan 0.000 0.467 54 L N -1.735 119.496 121.223 0.012 0.000 2.664 54 L HA 0.827 5.171 4.340 0.007 0.000 0.198 54 L C 1.734 178.610 176.870 0.009 0.000 1.057 54 L CA 1.422 56.269 54.840 0.010 0.000 0.871 54 L CB -0.949 41.115 42.059 0.008 0.000 1.364 54 L HN 0.579 nan 8.230 nan 0.000 0.483 60 E N 0.968 121.172 120.200 0.007 0.000 2.303 60 E HA 0.632 4.986 4.350 0.007 0.000 0.254 60 E C -0.182 176.422 176.600 0.007 0.000 0.979 60 E CA 0.087 56.491 56.400 0.006 0.000 0.843 60 E CB -0.631 29.072 29.700 0.006 0.000 1.245 60 E HN 1.229 nan 8.360 nan 0.000 0.413 61 D N -0.163 120.241 120.400 0.006 0.000 2.478 61 D HA 0.099 4.743 4.640 0.007 0.000 0.234 61 D C 0.696 177.001 176.300 0.008 0.000 1.154 61 D CA 0.632 54.636 54.000 0.007 0.000 0.874 61 D CB 0.043 40.847 40.800 0.006 0.000 1.198 61 D HN 0.593 nan 8.370 nan 0.000 0.455 62 E N 0.269 120.475 120.200 0.009 0.000 2.208 62 E HA -0.091 4.263 4.350 0.007 0.000 0.193 62 E C -0.344 176.262 176.600 0.010 0.000 0.988 62 E CA 0.928 57.334 56.400 0.010 0.000 0.828 62 E CB -0.290 29.416 29.700 0.012 0.000 0.763 62 E HN 0.562 nan 8.360 nan 0.000 0.478 63 P HA -0.078 nan 4.420 nan 0.000 0.221 63 P C 1.151 178.456 177.300 0.008 0.000 1.150 63 P CA 1.202 64.307 63.100 0.008 0.000 0.800 63 P CB 0.015 31.720 31.700 0.007 0.000 0.787 64 T N -0.605 113.954 114.554 0.007 0.000 2.904 64 T HA -0.059 4.295 4.350 0.007 0.000 0.267 64 T C 2.318 177.022 174.700 0.008 0.000 1.059 64 T CA 1.699 63.803 62.100 0.007 0.000 1.137 64 T CB -0.697 68.174 68.868 0.006 0.000 0.879 64 T HN 0.180 nan 8.240 nan 0.000 0.467 65 R N 1.616 122.122 120.500 0.009 0.000 2.148 65 R HA 0.081 4.425 4.340 0.007 0.000 0.223 65 R C 2.543 178.850 176.300 0.011 0.000 1.088 65 R CA 1.782 57.888 56.100 0.010 0.000 0.985 65 R CB -1.260 29.047 30.300 0.011 0.000 0.880 65 R HN 0.642 nan 8.270 nan 0.000 0.451 66 S N -0.817 114.890 115.700 0.012 0.000 2.492 66 S HA 0.067 4.541 4.470 0.007 0.000 0.218 66 S C 1.915 176.522 174.600 0.011 0.000 1.016 66 S CA 0.675 58.883 58.200 0.013 0.000 0.916 66 S CB 0.115 63.323 63.200 0.013 0.000 0.791 66 S HN 0.295 nan 8.310 nan 0.000 0.513 67 L N 2.237 123.466 121.223 0.009 0.000 2.376 67 L HA 0.234 4.578 4.340 0.007 0.000 0.219 67 L C 2.177 179.051 176.870 0.007 0.000 1.133 67 L CA 1.072 55.917 54.840 0.008 0.000 0.816 67 L CB -0.669 41.394 42.059 0.007 0.000 0.933 67 L HN 0.274 nan 8.230 nan 0.000 0.449 68 S N -0.779 114.925 115.700 0.008 0.000 2.428 68 S HA -0.027 4.448 4.470 0.007 0.000 0.230 68 S C 1.844 176.449 174.600 0.009 0.000 1.014 68 S CA 0.867 59.071 58.200 0.007 0.000 0.957 68 S CB -0.422 62.782 63.200 0.007 0.000 0.784 68 S HN 0.655 nan 8.310 nan 0.000 0.499 69 G N 1.340 110.146 108.800 0.011 0.000 2.408 69 G HA2 -0.072 3.893 3.960 0.007 0.000 0.215 69 G HA3 -0.072 3.893 3.960 0.007 0.000 0.215 69 G C 1.344 176.251 174.900 0.013 0.000 1.156 69 G CA 0.384 45.492 45.100 0.014 0.000 0.793 69 G HN 0.429 nan 8.290 nan 0.000 0.535 70 L N 0.895 122.125 121.223 0.011 0.000 2.093 70 L HA 0.060 4.404 4.340 0.007 0.000 0.208 70 L C 2.301 179.176 176.870 0.008 0.000 1.085 70 L CA 1.370 56.216 54.840 0.010 0.000 0.755 70 L CB -0.143 41.921 42.059 0.009 0.000 0.904 70 L HN 0.101 nan 8.230 nan 0.000 0.435 71 I N -0.965 119.609 120.570 0.007 0.000 2.876 71 I HA -0.108 4.066 4.170 0.007 0.000 0.264 71 I C 2.245 178.365 176.117 0.005 0.000 1.204 71 I CA 0.707 62.010 61.300 0.005 0.000 1.485 71 I CB -1.114 36.888 38.000 0.003 0.000 1.103 71 I HN 0.337 nan 8.210 nan 0.000 0.446 72 L N 1.551 122.778 121.223 0.007 0.000 2.095 72 L HA -0.074 4.270 4.340 0.007 0.000 0.204 72 L C 2.477 179.353 176.870 0.010 0.000 1.080 72 L CA 1.790 56.634 54.840 0.006 0.000 0.759 72 L CB -0.706 41.358 42.059 0.008 0.000 0.914 72 L HN 0.054 nan 8.230 nan 0.000 0.439 73 K N -0.170 120.238 120.400 0.014 0.000 2.148 73 K HA -0.225 4.099 4.320 0.007 0.000 0.204 73 K C 1.811 178.419 176.600 0.013 0.000 1.050 73 K CA 1.563 57.860 56.287 0.017 0.000 0.942 73 K CB -0.538 31.974 32.500 0.019 0.000 0.724 73 K HN 0.575 nan 8.250 nan 0.000 0.446 74 N N 0.695 119.401 118.700 0.010 0.000 2.104 74 N HA -0.126 4.618 4.740 0.007 0.000 0.190 74 N C 0.237 175.750 175.510 0.006 0.000 1.024 74 N CA 0.771 53.825 53.050 0.007 0.000 0.853 74 N CB 0.020 38.510 38.487 0.005 0.000 1.008 74 N HN 0.375 nan 8.380 nan 0.000 0.424 81 Q N 0.825 120.618 119.800 -0.011 0.000 2.331 81 Q HA 0.137 4.481 4.340 0.007 0.000 0.203 81 Q C 1.550 177.538 176.000 -0.020 0.000 0.944 81 Q CA 1.911 57.706 55.803 -0.014 0.000 0.892 81 Q CB -1.941 26.790 28.738 -0.012 0.000 0.983 81 Q HN 1.680 nan 8.270 nan 0.000 0.482 82 N N -0.935 117.752 118.700 -0.022 0.000 2.463 82 N HA 0.199 4.943 4.740 0.007 0.000 0.181 82 N C 1.828 177.312 175.510 -0.042 0.000 1.078 82 N CA 1.039 54.071 53.050 -0.030 0.000 0.902 82 N CB -0.915 37.556 38.487 -0.027 0.000 0.970 82 N HN 0.898 nan 8.380 nan 0.000 0.451 83 F N -0.396 119.532 119.950 -0.037 0.000 2.502 83 F HA 0.494 5.025 4.527 0.007 0.000 0.298 83 F C 0.625 176.394 175.800 -0.053 0.000 1.111 83 F CA 1.320 59.292 58.000 -0.047 0.000 1.445 83 F CB -1.114 37.870 39.000 -0.027 0.000 1.081 83 F HN 0.553 nan 8.300 nan 0.000 0.558 84 P HA 0.294 nan 4.420 nan 0.000 0.310 84 P C 0.456 177.732 177.300 -0.040 0.000 1.351 84 P CA 1.067 64.143 63.100 -0.040 0.000 1.116 84 P CB -0.785 30.899 31.700 -0.027 0.000 1.589 85 N N -0.151 118.524 118.700 -0.041 0.000 2.484 85 N HA 0.411 5.155 4.740 0.007 0.000 0.245 85 N C 1.576 177.061 175.510 -0.043 0.000 1.184 85 N CA 0.970 53.998 53.050 -0.036 0.000 0.884 85 N CB -1.276 37.193 38.487 -0.030 0.000 1.182 85 N HN 0.539 nan 8.380 nan 0.000 0.493 86 G N -2.073 106.696 108.800 -0.052 0.000 2.302 86 G HA2 -0.244 3.720 3.960 0.007 0.000 0.263 86 G HA3 -0.244 3.720 3.960 0.007 0.000 0.263 86 G C 1.485 176.344 174.900 -0.069 0.000 0.995 86 G CA 1.184 46.250 45.100 -0.057 0.000 0.622 86 G HN 1.541 nan 8.290 nan 0.000 0.538 87 V N -0.489 119.384 119.914 -0.068 0.000 2.719 87 V HA 0.481 4.605 4.120 0.007 0.000 0.252 87 V C 2.734 178.762 176.094 -0.110 0.000 1.065 87 V CA 2.962 65.218 62.300 -0.073 0.000 1.086 87 V CB -1.131 30.659 31.823 -0.056 0.000 0.700 87 V HN 1.182 nan 8.190 nan 0.000 0.467 88 T N -1.090 113.384 114.554 -0.132 0.000 3.320 88 T HA 0.299 4.653 4.350 0.007 0.000 0.258 88 T C 1.206 175.728 174.700 -0.297 0.000 1.176 88 T CA 1.725 63.700 62.100 -0.209 0.000 1.037 88 T CB -0.850 67.907 68.868 -0.185 0.000 0.958 88 T HN 0.803 nan 8.240 nan 0.000 0.545 89 D N -2.119 118.150 120.400 -0.217 0.000 2.502 89 D HA 0.470 5.114 4.640 0.007 0.000 0.232 89 D C 1.542 177.755 176.300 -0.145 0.000 1.137 89 D CA 0.755 54.626 54.000 -0.215 0.000 0.827 89 D CB -0.755 39.953 40.800 -0.153 0.000 1.141 89 D HN 0.542 nan 8.370 nan 0.000 0.517 90 F N 0.562 120.443 119.950 -0.115 0.000 2.437 90 F HA 0.412 4.943 4.527 0.007 0.000 0.288 90 F C 2.361 178.123 175.800 -0.063 0.000 1.085 90 F CA 0.760 58.716 58.000 -0.073 0.000 1.430 90 F CB -0.515 38.452 39.000 -0.055 0.000 1.120 90 F HN 0.231 nan 8.300 nan 0.000 0.556 91 I N 1.368 121.889 120.570 -0.081 0.000 2.277 91 I HA -0.066 4.108 4.170 0.007 0.000 0.243 91 I C 2.840 178.926 176.117 -0.052 0.000 1.094 91 I CA 1.539 62.805 61.300 -0.057 0.000 1.393 91 I CB -0.904 37.061 38.000 -0.058 0.000 1.078 91 I HN 0.283 nan 8.210 nan 0.000 0.417 92 K N 0.335 120.651 120.400 -0.140 0.000 2.281 92 K HA -0.174 4.150 4.320 0.007 0.000 0.203 92 K C 2.191 178.805 176.600 0.023 0.000 1.046 92 K CA 1.872 58.080 56.287 -0.132 0.000 0.938 92 K CB -1.251 30.878 32.500 -0.619 0.000 0.737 92 K HN 0.379 nan 8.250 nan 0.000 0.458 93 S N -0.127 115.562 115.700 -0.018 0.000 2.357 93 S HA -0.076 4.398 4.470 0.007 0.000 0.221 93 S C 2.431 177.054 174.600 0.038 0.000 1.031 93 S CA 1.727 59.937 58.200 0.017 0.000 0.982 93 S CB -0.216 62.978 63.200 -0.009 0.000 0.853 93 S HN 0.774 nan 8.310 nan 0.000 0.458 94 E N 0.520 120.736 120.200 0.026 0.000 2.107 94 E HA -0.114 4.240 4.350 0.007 0.000 0.191 94 E C 2.361 178.989 176.600 0.047 0.000 0.982 94 E CA 1.417 57.834 56.400 0.030 0.000 0.809 94 E CB -1.560 28.151 29.700 0.018 0.000 0.756 94 E HN 0.965 nan 8.360 nan 0.000 0.459 95 C N -0.622 118.720 119.300 0.070 0.000 2.500 95 C HA 0.286 4.750 4.460 0.007 0.000 0.279 95 C C 2.602 177.646 174.990 0.089 0.000 1.288 95 C CA 0.645 59.714 59.018 0.084 0.000 1.710 95 C CB -1.065 26.744 27.740 0.115 0.000 2.052 95 C HN 0.488 nan 8.230 nan 0.000 0.488 96 L N 1.920 123.219 121.223 0.127 0.000 2.275 96 L HA 0.001 4.345 4.340 0.007 0.000 0.215 96 L C 3.065 179.973 176.870 0.064 0.000 1.119 96 L CA 1.689 56.591 54.840 0.104 0.000 0.790 96 L CB -0.772 41.386 42.059 0.164 0.000 0.919 96 L HN 0.732 nan 8.230 nan 0.000 0.443 97 N N -0.424 118.312 118.700 0.060 0.000 2.354 97 N HA -0.085 4.659 4.740 0.007 0.000 0.179 97 N C 1.178 176.708 175.510 0.034 0.000 1.021 97 N CA 1.128 54.203 53.050 0.041 0.000 0.887 97 N CB -0.880 37.629 38.487 0.037 0.000 0.974 97 N HN 0.525 nan 8.380 nan 0.000 0.437 98 N N -0.400 118.321 118.700 0.036 0.000 2.660 98 N HA 0.568 5.312 4.740 0.007 0.000 0.316 98 N C 0.935 176.463 175.510 0.030 0.000 1.774 98 N CA 0.327 53.396 53.050 0.031 0.000 0.946 98 N CB -0.588 37.917 38.487 0.030 0.000 1.322 98 N HN 0.790 nan 8.380 nan 0.000 0.492 99 I N -1.468 119.117 120.570 0.025 0.000 3.564 99 I HA 0.552 4.727 4.170 0.007 0.000 0.294 99 I C 1.575 177.699 176.117 0.012 0.000 1.289 99 I CA 0.883 62.191 61.300 0.015 0.000 1.325 99 I CB -0.182 37.819 38.000 0.001 0.000 1.039 99 I HN 0.524 nan 8.210 nan 0.000 0.474 100 G N 0.578 109.391 108.800 0.021 0.000 4.956 100 G HA2 0.503 4.467 3.960 0.007 0.000 0.290 100 G HA3 0.503 4.467 3.960 0.007 0.000 0.290 100 G C -0.156 174.769 174.900 0.042 0.000 1.352 100 G CA 0.599 45.717 45.100 0.031 0.000 0.983 100 G HN 0.786 nan 8.290 nan 0.000 0.581 101 D N -0.064 120.358 120.400 0.038 0.000 2.352 101 D HA 0.580 5.224 4.640 0.007 0.000 0.238 101 D C 1.789 178.115 176.300 0.044 0.000 1.286 101 D CA 0.461 54.484 54.000 0.037 0.000 0.923 101 D CB 0.241 41.060 40.800 0.032 0.000 1.146 101 D HN 0.439 nan 8.370 nan 0.000 0.471 102 S N -0.830 114.893 115.700 0.038 0.000 2.349 102 S HA 0.144 4.618 4.470 0.007 0.000 0.216 102 S C 1.743 176.367 174.600 0.040 0.000 1.033 102 S CA 1.823 60.046 58.200 0.039 0.000 1.021 102 S CB -0.375 62.843 63.200 0.030 0.000 0.968 102 S HN 0.769 nan 8.310 nan 0.000 0.426 103 S N 1.876 117.596 115.700 0.034 0.000 2.549 103 S HA 0.359 4.833 4.470 0.007 0.000 0.279 103 S C -1.497 173.127 174.600 0.039 0.000 1.321 103 S CA -1.270 56.950 58.200 0.033 0.000 1.054 103 S CB 1.067 64.282 63.200 0.026 0.000 0.899 103 S HN 0.277 nan 8.310 nan 0.000 0.497 104 P HA -0.099 nan 4.420 nan 0.000 0.220 104 P C 1.399 178.723 177.300 0.040 0.000 1.148 104 P CA 0.998 64.128 63.100 0.050 0.000 0.803 104 P CB -0.043 31.689 31.700 0.053 0.000 0.782 105 L N -0.598 120.644 121.223 0.032 0.000 1.970 105 L HA -0.178 4.166 4.340 0.007 0.000 0.212 105 L C 2.789 179.674 176.870 0.026 0.000 1.071 105 L CA 1.638 56.493 54.840 0.026 0.000 0.751 105 L CB -1.272 40.800 42.059 0.022 0.000 0.889 105 L HN -0.159 nan 8.230 nan 0.000 0.432 106 I N -0.527 120.058 120.570 0.026 0.000 2.361 106 I HA -0.276 3.898 4.170 0.007 0.000 0.251 106 I C 2.847 178.980 176.117 0.027 0.000 1.133 106 I CA 1.194 62.510 61.300 0.025 0.000 1.413 106 I CB -0.395 37.620 38.000 0.025 0.000 1.073 106 I HN 0.229 nan 8.210 nan 0.000 0.424 107 R N 1.270 121.788 120.500 0.030 0.000 2.092 107 R HA -0.134 4.210 4.340 0.007 0.000 0.231 107 R C 2.315 178.627 176.300 0.020 0.000 1.119 107 R CA 1.521 57.637 56.100 0.028 0.000 0.970 107 R CB -0.170 30.152 30.300 0.036 0.000 0.864 107 R HN 0.368 nan 8.270 nan 0.000 0.440 108 A N -0.450 122.384 122.820 0.023 0.000 1.930 108 A HA -0.024 4.300 4.320 0.007 0.000 0.215 108 A C 2.027 179.620 177.584 0.015 0.000 1.176 108 A CA 1.468 53.515 52.037 0.017 0.000 0.632 108 A CB -0.497 18.517 19.000 0.023 0.000 0.819 108 A HN 0.428 nan 8.150 nan 0.000 0.445 109 T N -0.107 114.459 114.554 0.019 0.000 2.759 109 T HA -0.127 4.227 4.350 0.007 0.000 0.269 109 T C 1.803 176.518 174.700 0.024 0.000 1.042 109 T CA 1.556 63.668 62.100 0.020 0.000 1.140 109 T CB -0.419 68.461 68.868 0.021 0.000 0.864 109 T HN 0.132 nan 8.240 nan 0.000 0.455 110 V N 1.532 121.462 119.914 0.026 0.000 2.407 110 V HA -0.088 4.037 4.120 0.007 0.000 0.248 110 V C 2.884 178.996 176.094 0.029 0.000 1.055 110 V CA 1.884 64.204 62.300 0.034 0.000 1.049 110 V CB -1.351 30.492 31.823 0.033 0.000 0.662 110 V HN 0.607 nan 8.190 nan 0.000 0.455 111 G N 0.250 109.055 108.800 0.010 0.000 2.440 111 G HA2 -0.237 3.727 3.960 0.007 0.000 0.218 111 G HA3 -0.237 3.727 3.960 0.007 0.000 0.218 111 G C 1.521 176.421 174.900 -0.001 0.000 1.154 111 G CA 1.206 46.301 45.100 -0.009 0.000 0.767 111 G HN 0.533 nan 8.290 nan 0.000 0.552 112 I N 0.133 120.709 120.570 0.010 0.000 2.252 112 I HA -0.091 4.083 4.170 0.007 0.000 0.245 112 I C 2.680 178.817 176.117 0.034 0.000 1.102 112 I CA 0.573 61.883 61.300 0.016 0.000 1.385 112 I CB -0.296 37.714 38.000 0.016 0.000 1.064 112 I HN 0.095 nan 8.210 nan 0.000 0.414 113 L N 0.531 121.782 121.223 0.046 0.000 2.046 113 L HA -0.190 4.154 4.340 0.007 0.000 0.208 113 L C 2.556 179.499 176.870 0.122 0.000 1.077 113 L CA 1.493 56.376 54.840 0.071 0.000 0.747 113 L CB -0.369 41.730 42.059 0.067 0.000 0.896 113 L HN 0.199 nan 8.230 nan 0.000 0.432 114 I N -0.824 119.819 120.570 0.122 0.000 2.286 114 I HA -0.269 3.906 4.170 0.007 0.000 0.248 114 I C 2.408 178.582 176.117 0.095 0.000 1.115 114 I CA 1.372 62.766 61.300 0.156 0.000 1.392 114 I CB -0.581 37.424 38.000 0.008 0.000 1.065 114 I HN 0.309 nan 8.210 nan 0.000 0.418 115 T N 0.029 114.609 114.554 0.042 0.000 2.614 115 T HA -0.162 4.192 4.350 0.007 0.000 0.263 115 T C 1.907 176.645 174.700 0.063 0.000 1.055 115 T CA 2.144 64.260 62.100 0.026 0.000 1.162 115 T CB -0.632 68.239 68.868 0.005 0.000 0.863 115 T HN 0.338 nan 8.240 nan 0.000 0.414 116 T N 2.199 116.792 114.554 0.065 0.000 2.833 116 T HA 0.030 4.384 4.350 0.007 0.000 0.269 116 T C 2.009 176.761 174.700 0.087 0.000 1.054 116 T CA 0.850 62.987 62.100 0.061 0.000 1.135 116 T CB -0.474 68.420 68.868 0.044 0.000 0.869 116 T HN 0.298 nan 8.240 nan 0.000 0.466 117 I N 1.164 121.817 120.570 0.138 0.000 2.315 117 I HA -0.116 4.059 4.170 0.007 0.000 0.248 117 I C 2.796 179.044 176.117 0.218 0.000 1.117 117 I CA 1.086 62.483 61.300 0.162 0.000 1.404 117 I CB -0.306 37.807 38.000 0.188 0.000 1.071 117 I HN 0.209 nan 8.210 nan 0.000 0.419 118 A N -0.958 122.032 122.820 0.284 0.000 2.072 118 A HA -0.094 4.230 4.320 0.007 0.000 0.216 118 A C 2.374 180.026 177.584 0.113 0.000 1.156 118 A CA 1.288 53.463 52.037 0.230 0.000 0.701 118 A CB -0.381 18.718 19.000 0.165 0.000 0.816 118 A HN 0.313 nan 8.150 nan 0.000 0.458 119 S N -0.193 115.557 115.700 0.083 0.000 2.453 119 S HA 0.037 4.511 4.470 0.007 0.000 0.231 119 S C 1.445 176.069 174.600 0.040 0.000 1.005 119 S CA 1.187 59.415 58.200 0.047 0.000 0.949 119 S CB -0.584 62.636 63.200 0.033 0.000 0.774 119 S HN 0.660 nan 8.310 nan 0.000 0.510 120 K N 1.825 122.254 120.400 0.048 0.000 2.062 120 K HA 0.473 4.797 4.320 0.007 0.000 0.251 120 K C 1.002 177.622 176.600 0.034 0.000 1.113 120 K CA 0.506 56.814 56.287 0.035 0.000 1.096 120 K CB -1.882 30.637 32.500 0.031 0.000 1.099 120 K HN 0.877 nan 8.250 nan 0.000 0.350 121 G N 0.277 109.092 108.800 0.026 0.000 2.601 121 G HA2 0.080 4.044 3.960 0.007 0.000 0.252 121 G HA3 0.080 4.044 3.960 0.007 0.000 0.252 121 G C 0.482 175.401 174.900 0.031 0.000 1.294 121 G CA 0.656 45.771 45.100 0.024 0.000 0.912 121 G HN 1.806 nan 8.290 nan 0.000 0.574 122 E N -1.214 119.004 120.200 0.030 0.000 2.698 122 E HA 0.764 5.118 4.350 0.007 0.000 0.242 122 E C 1.046 177.675 176.600 0.049 0.000 1.243 122 E CA 0.839 57.261 56.400 0.036 0.000 1.483 122 E CB -0.270 29.446 29.700 0.026 0.000 1.495 122 E HN 2.356 nan 8.360 nan 0.000 0.440 123 L N 0.899 122.160 121.223 0.064 0.000 2.499 123 L HA 0.493 4.837 4.340 0.007 0.000 0.273 123 L C 0.861 177.788 176.870 0.094 0.000 1.195 123 L CA -0.095 54.786 54.840 0.069 0.000 0.882 123 L CB 0.612 42.714 42.059 0.071 0.000 1.133 123 L HN 0.495 nan 8.230 nan 0.000 0.483 124 Q N 2.627 122.469 119.800 0.071 0.000 2.824 124 Q HA 0.262 4.606 4.340 0.007 0.000 0.371 124 Q C 0.076 176.115 176.000 0.064 0.000 1.071 124 Q CA -0.057 55.795 55.803 0.081 0.000 1.064 124 Q CB 0.401 29.173 28.738 0.057 0.000 1.332 124 Q HN 0.902 nan 8.270 nan 0.000 0.445 125 N N -0.307 118.432 118.700 0.064 0.000 2.235 125 N HA 0.028 4.772 4.740 0.007 0.000 0.209 125 N C -0.816 174.705 175.510 0.019 0.000 1.122 125 N CA 0.161 53.206 53.050 -0.008 0.000 0.845 125 N CB 0.668 39.095 38.487 -0.101 0.000 1.004 125 N HN 0.325 nan 8.380 nan 0.000 0.499 126 W N 2.118 123.415 121.300 -0.004 0.000 2.387 126 W HA 0.371 5.035 4.660 0.007 0.000 0.285 126 W C -2.087 174.429 176.519 -0.005 0.000 1.011 126 W CA -1.835 55.507 57.345 -0.005 0.000 1.576 126 W CB 1.076 30.533 29.460 -0.005 0.000 1.540 126 W HN -0.018 nan 8.180 nan 0.000 0.383 127 P HA -0.015 nan 4.420 nan 0.000 0.226 127 P C 0.927 178.285 177.300 0.096 0.000 1.161 127 P CA 1.199 64.375 63.100 0.126 0.000 0.804 127 P CB 0.747 32.499 31.700 0.087 0.000 0.829 128 D N -0.396 120.095 120.400 0.152 0.000 2.277 128 D HA -0.048 4.597 4.640 0.007 0.000 0.208 128 D C 1.930 178.213 176.300 -0.027 0.000 0.962 128 D CA 0.224 54.275 54.000 0.084 0.000 0.865 128 D CB -0.527 40.355 40.800 0.137 0.000 0.939 128 D HN -0.006 nan 8.370 nan 0.000 0.510 129 L N 1.302 122.436 121.223 -0.148 0.000 1.957 129 L HA -0.267 4.077 4.340 0.007 0.000 0.228 129 L C 2.188 178.870 176.870 -0.314 0.000 1.086 129 L CA 1.851 56.373 54.840 -0.531 0.000 0.796 129 L CB -1.021 40.500 42.059 -0.898 0.000 0.900 129 L HN 0.003 nan 8.230 nan 0.000 0.439 130 L N -0.802 120.290 121.223 -0.217 0.000 1.971 130 L HA -0.196 4.148 4.340 0.007 0.000 0.215 130 L C 0.019 176.812 176.870 -0.129 0.000 1.072 130 L CA 1.716 56.465 54.840 -0.152 0.000 0.758 130 L CB -2.541 39.460 42.059 -0.096 0.000 0.889 130 L HN 0.279 nan 8.230 nan 0.000 0.433 131 P HA -0.167 nan 4.420 nan 0.000 0.221 131 P C 1.408 178.660 177.300 -0.080 0.000 1.145 131 P CA 1.366 64.418 63.100 -0.081 0.000 0.795 131 P CB 0.025 31.695 31.700 -0.051 0.000 0.775 132 K N -0.383 119.964 120.400 -0.089 0.000 2.067 132 K HA 0.029 4.353 4.320 0.007 0.000 0.203 132 K C 1.927 178.470 176.600 -0.095 0.000 1.048 132 K CA 0.748 56.991 56.287 -0.073 0.000 0.954 132 K CB -0.435 32.032 32.500 -0.054 0.000 0.737 132 K HN 0.051 nan 8.250 nan 0.000 0.444 133 L N 0.484 121.627 121.223 -0.135 0.000 2.141 133 L HA -0.182 4.162 4.340 0.007 0.000 0.209 133 L C 2.282 179.056 176.870 -0.161 0.000 1.094 133 L CA 0.668 55.419 54.840 -0.147 0.000 0.763 133 L CB -0.236 41.718 42.059 -0.174 0.000 0.908 133 L HN 0.311 nan 8.230 nan 0.000 0.437 134 C N -1.566 117.638 119.300 -0.159 0.000 2.491 134 C HA -0.034 4.430 4.460 0.007 0.000 0.277 134 C C 2.980 177.890 174.990 -0.133 0.000 1.455 134 C CA 0.827 59.737 59.018 -0.180 0.000 1.758 134 C CB -0.833 26.794 27.740 -0.189 0.000 1.745 134 C HN 0.505 nan 8.230 nan 0.000 0.558 135 S N -0.113 115.527 115.700 -0.099 0.000 2.475 135 S HA 0.195 4.670 4.470 0.007 0.000 0.224 135 S C 1.588 176.158 174.600 -0.050 0.000 1.042 135 S CA 0.275 58.437 58.200 -0.063 0.000 0.935 135 S CB -0.052 63.118 63.200 -0.048 0.000 0.801 135 S HN 0.604 nan 8.310 nan 0.000 0.509 136 L N 1.503 122.686 121.223 -0.067 0.000 2.362 136 L HA 0.037 4.381 4.340 0.007 0.000 0.219 136 L C 1.988 178.823 176.870 -0.058 0.000 1.134 136 L CA 0.554 55.361 54.840 -0.055 0.000 0.807 136 L CB -0.400 41.620 42.059 -0.066 0.000 0.927 136 L HN 0.352 nan 8.230 nan 0.000 0.447 137 L N -0.608 120.557 121.223 -0.096 0.000 2.131 137 L HA -0.190 4.155 4.340 0.007 0.000 0.210 137 L C 1.353 178.295 176.870 0.121 0.000 1.092 137 L CA 1.067 55.844 54.840 -0.104 0.000 0.759 137 L CB -0.285 41.613 42.059 -0.268 0.000 0.903 137 L HN 0.274 nan 8.230 nan 0.000 0.435 138 D N -0.408 120.053 120.400 0.101 0.000 2.336 138 D HA 0.022 4.666 4.640 0.007 0.000 0.228 138 D C 0.806 177.152 176.300 0.077 0.000 1.120 138 D CA 0.110 54.182 54.000 0.121 0.000 0.839 138 D CB 0.347 41.189 40.800 0.069 0.000 0.932 138 D HN 0.060 nan 8.370 nan 0.000 0.509 139 S N 0.647 116.386 115.700 0.064 0.000 2.579 139 S HA -0.021 4.453 4.470 0.007 0.000 0.275 139 S C 1.477 176.121 174.600 0.073 0.000 1.345 139 S CA -0.205 58.026 58.200 0.052 0.000 1.031 139 S CB 1.328 64.549 63.200 0.035 0.000 0.892 139 S HN -0.012 nan 8.310 nan 0.000 0.529 140 E N 1.923 122.161 120.200 0.063 0.000 2.072 140 E HA -0.055 4.299 4.350 0.007 0.000 0.190 140 E C 0.311 176.970 176.600 0.098 0.000 0.982 140 E CA 0.603 57.046 56.400 0.072 0.000 0.803 140 E CB -0.615 29.116 29.700 0.052 0.000 0.755 140 E HN 0.817 nan 8.360 nan 0.000 0.453 141 D N 0.058 120.510 120.400 0.088 0.000 2.412 141 D HA -0.099 4.545 4.640 0.007 0.000 0.257 141 D C 0.837 177.223 176.300 0.144 0.000 1.217 141 D CA 0.032 54.098 54.000 0.110 0.000 0.897 141 D CB 0.312 41.160 40.800 0.079 0.000 1.132 141 D HN -0.031 nan 8.370 nan 0.000 0.493 142 Y N 4.842 125.182 120.300 0.066 0.000 2.081 142 Y HA -0.296 4.258 4.550 0.007 0.000 0.280 142 Y C 1.614 177.563 175.900 0.082 0.000 1.163 142 Y CA 1.902 60.053 58.100 0.084 0.000 1.135 142 Y CB -0.120 38.385 38.460 0.074 0.000 0.970 142 Y HN 0.511 nan 8.280 nan 0.000 0.498 143 N N -0.682 118.106 118.700 0.146 0.000 2.453 143 N HA -0.123 4.621 4.740 0.007 0.000 0.183 143 N C 1.524 177.023 175.510 -0.018 0.000 1.041 143 N CA 1.586 54.664 53.050 0.046 0.000 0.900 143 N CB -0.315 38.252 38.487 0.134 0.000 0.961 143 N HN 0.466 nan 8.380 nan 0.000 0.443 144 T N -0.008 114.544 114.554 -0.004 0.000 2.851 144 T HA -0.072 4.282 4.350 0.007 0.000 0.262 144 T C 2.189 176.859 174.700 -0.050 0.000 1.043 144 T CA 0.509 62.600 62.100 -0.015 0.000 1.140 144 T CB -0.411 68.463 68.868 0.010 0.000 0.872 144 T HN 0.388 nan 8.240 nan 0.000 0.446 145 C N 1.825 121.088 119.300 -0.062 0.000 2.453 145 C HA 0.009 4.473 4.460 0.007 0.000 0.277 145 C C 2.739 177.668 174.990 -0.102 0.000 1.262 145 C CA 0.820 59.797 59.018 -0.068 0.000 1.718 145 C CB -0.859 26.887 27.740 0.011 0.000 2.031 145 C HN 0.471 nan 8.230 nan 0.000 0.480 146 E N 0.503 120.567 120.200 -0.227 0.000 2.106 146 E HA -0.063 4.291 4.350 0.007 0.000 0.192 146 E C 2.281 178.834 176.600 -0.080 0.000 0.984 146 E CA 1.606 57.895 56.400 -0.184 0.000 0.806 146 E CB -0.672 28.770 29.700 -0.431 0.000 0.750 146 E HN 0.735 nan 8.360 nan 0.000 0.458 147 G N 1.035 109.784 108.800 -0.085 0.000 2.446 147 G HA2 -0.273 3.691 3.960 0.007 0.000 0.217 147 G HA3 -0.273 3.691 3.960 0.007 0.000 0.217 147 G C 1.738 176.590 174.900 -0.080 0.000 1.168 147 G CA 1.610 46.673 45.100 -0.061 0.000 0.771 147 G HN 0.424 nan 8.290 nan 0.000 0.551 148 A N -0.062 122.704 122.820 -0.089 0.000 1.902 148 A HA 0.128 4.452 4.320 0.007 0.000 0.217 148 A C 2.256 179.770 177.584 -0.116 0.000 1.181 148 A CA 1.259 53.224 52.037 -0.120 0.000 0.623 148 A CB -0.533 18.375 19.000 -0.153 0.000 0.818 148 A HN 0.388 nan 8.150 nan 0.000 0.443 149 F N 0.216 120.023 119.950 -0.237 0.000 2.186 149 F HA -0.048 4.483 4.527 0.007 0.000 0.299 149 F C 2.475 177.961 175.800 -0.522 0.000 1.090 149 F CA 0.596 58.414 58.000 -0.303 0.000 1.307 149 F CB -0.035 38.807 39.000 -0.263 0.000 1.019 149 F HN 0.362 nan 8.300 nan 0.000 0.489 150 G N -0.690 107.873 108.800 -0.396 0.000 2.443 150 G HA2 -0.174 3.790 3.960 0.007 0.000 0.219 150 G HA3 -0.174 3.790 3.960 0.007 0.000 0.219 150 G C 1.655 176.401 174.900 -0.258 0.000 1.131 150 G CA 0.694 45.449 45.100 -0.575 0.000 0.775 150 G HN 0.451 nan 8.290 nan 0.000 0.547 151 A N 0.414 123.138 122.820 -0.159 0.000 1.903 151 A HA 0.284 4.608 4.320 0.007 0.000 0.213 151 A C 2.322 179.849 177.584 -0.094 0.000 1.185 151 A CA 0.657 52.626 52.037 -0.114 0.000 0.628 151 A CB -0.305 18.628 19.000 -0.112 0.000 0.830 151 A HN 0.300 nan 8.150 nan 0.000 0.446 152 L N -0.586 120.596 121.223 -0.069 0.000 2.191 152 L HA -0.203 4.141 4.340 0.007 0.000 0.212 152 L C 2.832 179.709 176.870 0.012 0.000 1.103 152 L CA 1.446 56.284 54.840 -0.002 0.000 0.769 152 L CB -0.283 41.811 42.059 0.058 0.000 0.908 152 L HN 0.562 nan 8.230 nan 0.000 0.438 153 Q N 0.471 120.248 119.800 -0.039 0.000 2.049 153 Q HA -0.231 4.113 4.340 0.007 0.000 0.198 153 Q C 2.568 178.538 176.000 -0.050 0.000 0.971 153 Q CA 2.032 57.800 55.803 -0.058 0.000 0.833 153 Q CB 0.055 28.733 28.738 -0.099 0.000 0.896 153 Q HN 0.466 nan 8.270 nan 0.000 0.434 154 K N 0.779 121.141 120.400 -0.063 0.000 2.152 154 K HA -0.140 4.184 4.320 0.007 0.000 0.206 154 K C 1.680 178.257 176.600 -0.039 0.000 1.048 154 K CA 1.598 57.857 56.287 -0.047 0.000 0.933 154 K CB -0.867 31.604 32.500 -0.048 0.000 0.721 154 K HN 0.368 nan 8.250 nan 0.000 0.447 155 I N -0.061 120.486 120.570 -0.038 0.000 2.163 155 I HA -0.267 3.907 4.170 0.007 0.000 0.240 155 I C 2.590 178.689 176.117 -0.029 0.000 1.081 155 I CA 0.970 62.252 61.300 -0.030 0.000 1.353 155 I CB -0.299 37.685 38.000 -0.028 0.000 1.054 155 I HN 0.390 nan 8.210 nan 0.000 0.407 156 C N 0.847 120.137 119.300 -0.016 0.000 2.411 156 C HA -0.169 4.295 4.460 0.007 0.000 0.279 156 C C 2.532 177.452 174.990 -0.117 0.000 1.288 156 C CA 1.117 60.099 59.018 -0.060 0.000 1.764 156 C CB -1.208 26.532 27.740 -0.000 0.000 1.974 156 C HN 0.492 nan 8.230 nan 0.000 0.498 157 E N -0.179 119.976 120.200 -0.075 0.000 2.385 157 E HA -0.005 4.349 4.350 0.007 0.000 0.194 157 E C 0.072 176.633 176.600 -0.064 0.000 1.013 157 E CA 0.445 56.802 56.400 -0.072 0.000 0.866 157 E CB 0.151 29.822 29.700 -0.049 0.000 0.832 157 E HN 0.682 nan 8.360 nan 0.000 0.500 172 L N 1.479 122.774 121.223 0.121 0.000 2.627 172 L HA 0.111 4.455 4.340 0.007 0.000 0.232 172 L C 1.335 178.141 176.870 -0.106 0.000 1.150 172 L CA 0.165 55.043 54.840 0.064 0.000 0.917 172 L CB -0.384 41.806 42.059 0.219 0.000 1.104 172 L HN 0.130 nan 8.230 nan 0.000 0.445 173 N N 0.884 119.514 118.700 -0.117 0.000 2.364 173 N HA -0.169 4.575 4.740 0.007 0.000 0.183 173 N C 1.620 176.934 175.510 -0.327 0.000 1.022 173 N CA 1.286 54.129 53.050 -0.345 0.000 0.883 173 N CB -0.344 38.063 38.487 -0.132 0.000 0.965 173 N HN 0.434 nan 8.380 nan 0.000 0.438 174 I N 0.012 120.443 120.570 -0.231 0.000 2.756 174 I HA -0.090 4.084 4.170 0.007 0.000 0.262 174 I C 1.896 177.821 176.117 -0.320 0.000 1.225 174 I CA 0.749 61.921 61.300 -0.215 0.000 1.472 174 I CB -0.370 37.536 38.000 -0.156 0.000 1.094 174 I HN -0.063 nan 8.210 nan 0.000 0.454 175 M N 0.216 119.530 119.600 -0.475 0.000 2.394 175 M HA -0.015 4.469 4.480 0.007 0.000 0.264 175 M C 2.355 178.122 176.300 -0.888 0.000 1.073 175 M CA 1.310 56.111 55.300 -0.832 0.000 1.111 175 M CB -0.862 30.984 32.600 -1.257 0.000 1.401 175 M HN 0.269 nan 8.290 nan 0.000 0.448 176 I N 1.328 121.580 120.570 -0.531 0.000 2.113 176 I HA -0.288 3.886 4.170 0.007 0.000 0.242 176 I C -0.420 175.546 176.117 -0.252 0.000 1.064 176 I CA 2.014 63.150 61.300 -0.273 0.000 1.320 176 I CB -1.823 35.991 38.000 -0.311 0.000 1.028 176 I HN 0.166 nan 8.210 nan 0.000 0.406 177 P HA -0.183 nan 4.420 nan 0.000 0.220 177 P C 1.383 178.527 177.300 -0.260 0.000 1.148 177 P CA 2.116 64.972 63.100 -0.408 0.000 0.803 177 P CB -0.072 31.377 31.700 -0.420 0.000 0.782 178 K N -0.524 119.738 120.400 -0.229 0.000 2.076 178 K HA -0.067 4.257 4.320 0.007 0.000 0.204 178 K C 1.944 178.645 176.600 0.167 0.000 1.051 178 K CA 1.121 57.349 56.287 -0.100 0.000 0.949 178 K CB -1.766 30.625 32.500 -0.181 0.000 0.726 178 K HN -0.061 nan 8.250 nan 0.000 0.443 179 F N 1.278 121.289 119.950 0.102 0.000 2.095 179 F HA -0.044 4.487 4.527 0.007 0.000 0.298 179 F C 2.201 178.136 175.800 0.225 0.000 1.104 179 F CA 0.819 58.985 58.000 0.277 0.000 1.232 179 F CB -1.003 38.093 39.000 0.161 0.000 0.987 179 F HN 0.007 nan 8.300 nan 0.000 0.475 180 L N -0.471 120.773 121.223 0.034 0.000 2.197 180 L HA -0.294 4.051 4.340 0.007 0.000 0.215 180 L C 2.391 179.145 176.870 -0.193 0.000 1.095 180 L CA 1.367 55.944 54.840 -0.439 0.000 0.764 180 L CB -0.633 41.158 42.059 -0.445 0.000 0.897 180 L HN 0.268 nan 8.230 nan 0.000 0.436 181 Q N -1.262 118.545 119.800 0.011 0.000 2.172 181 Q HA -0.135 4.209 4.340 0.007 0.000 0.200 181 Q C 1.924 177.945 176.000 0.035 0.000 0.964 181 Q CA 1.234 57.017 55.803 -0.033 0.000 0.855 181 Q CB -0.038 28.621 28.738 -0.132 0.000 0.918 181 Q HN 0.447 nan 8.270 nan 0.000 0.444 182 F N -0.981 119.147 119.950 0.296 0.000 2.748 182 F HA -0.048 4.483 4.527 0.007 0.000 0.299 182 F C 1.262 177.276 175.800 0.356 0.000 1.154 182 F CA 0.221 58.441 58.000 0.368 0.000 1.446 182 F CB 0.072 39.417 39.000 0.575 0.000 1.112 182 F HN 0.028 nan 8.300 nan 0.000 0.584 183 F N 0.871 120.941 119.950 0.200 0.000 2.250 183 F HA -0.186 4.345 4.527 0.007 0.000 0.301 183 F C 1.940 177.743 175.800 0.006 0.000 1.077 183 F CA 0.989 59.041 58.000 0.087 0.000 1.348 183 F CB -0.772 38.269 39.000 0.068 0.000 1.040 183 F HN -0.038 nan 8.300 nan 0.000 0.509 184 K N -1.198 119.270 120.400 0.113 0.000 2.065 184 K HA 0.008 4.332 4.320 0.007 0.000 0.211 184 K C 2.022 178.560 176.600 -0.102 0.000 1.025 184 K CA 0.822 57.031 56.287 -0.131 0.000 0.948 184 K CB -0.465 31.745 32.500 -0.484 0.000 0.798 184 K HN 0.090 nan 8.250 nan 0.000 0.450 185 H N 0.721 119.841 119.070 0.083 0.000 2.372 185 H HA 0.141 4.701 4.556 0.007 0.000 0.301 185 H C 1.418 176.806 175.328 0.100 0.000 1.065 185 H CA 0.679 56.768 56.048 0.069 0.000 1.364 185 H CB -0.003 29.779 29.762 0.034 0.000 1.406 185 H HN 0.055 nan 8.280 nan 0.000 0.521 186 S N 0.546 116.406 115.700 0.266 0.000 2.423 186 S HA 0.059 4.533 4.470 0.007 0.000 0.244 186 S C 1.185 175.904 174.600 0.197 0.000 1.267 186 S CA -0.056 58.305 58.200 0.269 0.000 0.988 186 S CB 0.374 63.793 63.200 0.364 0.000 0.978 186 S HN 0.550 nan 8.310 nan 0.000 0.506 187 S N 1.550 117.392 115.700 0.235 0.000 2.625 187 S HA 0.178 4.652 4.470 0.007 0.000 0.258 187 S C -2.043 172.604 174.600 0.078 0.000 1.256 187 S CA -0.739 57.556 58.200 0.158 0.000 0.983 187 S CB -0.747 62.602 63.200 0.249 0.000 1.032 187 S HN 0.309 nan 8.310 nan 0.000 0.572 188 P HA -0.032 nan 4.420 nan 0.000 0.215 188 P C 1.419 178.666 177.300 -0.088 0.000 1.157 188 P CA 1.100 64.181 63.100 -0.031 0.000 0.863 188 P CB -0.012 31.667 31.700 -0.034 0.000 0.787 189 K N -0.204 120.159 120.400 -0.061 0.000 2.020 189 K HA -0.143 4.181 4.320 0.007 0.000 0.212 189 K C 2.189 178.586 176.600 -0.339 0.000 1.050 189 K CA 1.463 57.636 56.287 -0.189 0.000 0.929 189 K CB -1.317 31.175 32.500 -0.013 0.000 0.714 189 K HN 0.240 nan 8.250 nan 0.000 0.443 190 I N 0.647 121.153 120.570 -0.108 0.000 2.226 190 I HA -0.253 3.921 4.170 0.007 0.000 0.245 190 I C 2.598 178.562 176.117 -0.254 0.000 1.100 190 I CA 1.104 62.330 61.300 -0.125 0.000 1.374 190 I CB -0.184 37.902 38.000 0.143 0.000 1.057 190 I HN 0.154 nan 8.210 nan 0.000 0.413 191 R N 0.366 120.791 120.500 -0.125 0.000 2.105 191 R HA -0.178 4.167 4.340 0.007 0.000 0.239 191 R C 2.568 178.666 176.300 -0.337 0.000 1.135 191 R CA 1.808 57.807 56.100 -0.169 0.000 0.967 191 R CB -0.392 29.835 30.300 -0.121 0.000 0.861 191 R HN 0.475 nan 8.270 nan 0.000 0.442 192 S N 0.041 115.516 115.700 -0.376 0.000 2.387 192 S HA -0.136 4.338 4.470 0.007 0.000 0.226 192 S C 1.774 176.118 174.600 -0.428 0.000 1.026 192 S CA 0.779 58.743 58.200 -0.394 0.000 0.972 192 S CB -0.257 62.718 63.200 -0.374 0.000 0.814 192 S HN 0.362 nan 8.310 nan 0.000 0.477 193 H N 1.888 120.677 119.070 -0.468 0.000 2.389 193 H HA 0.199 4.759 4.556 0.007 0.000 0.299 193 H C 2.675 177.545 175.328 -0.763 0.000 1.081 193 H CA 1.263 56.930 56.048 -0.634 0.000 1.345 193 H CB -1.072 28.159 29.762 -0.885 0.000 1.393 193 H HN 0.606 nan 8.280 nan 0.000 0.520 194 A N 0.796 123.175 122.820 -0.736 0.000 1.883 194 A HA -0.141 4.184 4.320 0.007 0.000 0.217 194 A C 2.775 180.393 177.584 0.057 0.000 1.186 194 A CA 2.145 54.041 52.037 -0.234 0.000 0.624 194 A CB -0.848 18.252 19.000 0.166 0.000 0.822 194 A HN 0.243 nan 8.150 nan 0.000 0.444 195 V N -0.494 119.288 119.914 -0.220 0.000 2.719 195 V HA -0.086 4.038 4.120 0.007 0.000 0.252 195 V C 2.906 179.006 176.094 0.009 0.000 1.065 195 V CA 1.445 63.669 62.300 -0.126 0.000 1.086 195 V CB -1.191 30.383 31.823 -0.415 0.000 0.700 195 V HN 0.598 nan 8.190 nan 0.000 0.467 196 A N -0.605 122.158 122.820 -0.094 0.000 1.902 196 A HA -0.222 4.102 4.320 0.007 0.000 0.217 196 A C 2.360 179.921 177.584 -0.039 0.000 1.181 196 A CA 2.190 54.193 52.037 -0.057 0.000 0.623 196 A CB -0.993 17.967 19.000 -0.067 0.000 0.818 196 A HN 0.577 nan 8.150 nan 0.000 0.443 197 C N -1.267 117.961 119.300 -0.119 0.000 2.489 197 C HA -0.043 4.421 4.460 0.007 0.000 0.279 197 C C 2.675 177.714 174.990 0.081 0.000 1.266 197 C CA 0.954 59.879 59.018 -0.155 0.000 1.707 197 C CB -1.197 26.109 27.740 -0.722 0.000 2.059 197 C HN 0.455 nan 8.230 nan 0.000 0.481 198 V N 2.236 122.188 119.914 0.064 0.000 2.546 198 V HA -0.215 3.910 4.120 0.007 0.000 0.254 198 V C 2.022 178.201 176.094 0.142 0.000 1.076 198 V CA 1.979 64.348 62.300 0.116 0.000 1.087 198 V CB -0.865 30.946 31.823 -0.021 0.000 0.674 198 V HN 0.530 nan 8.190 nan 0.000 0.470 199 N N 0.312 119.113 118.700 0.168 0.000 2.244 199 N HA -0.111 4.633 4.740 0.007 0.000 0.183 199 N C 1.644 177.201 175.510 0.080 0.000 1.016 199 N CA 0.836 53.978 53.050 0.154 0.000 0.866 199 N CB -0.261 38.302 38.487 0.127 0.000 0.980 199 N HN 0.511 nan 8.380 nan 0.000 0.430 200 Q N -0.760 119.053 119.800 0.022 0.000 2.387 200 Q HA 0.075 4.419 4.340 0.007 0.000 0.211 200 Q C 0.122 175.853 176.000 -0.448 0.000 0.952 200 Q CA 0.362 56.043 55.803 -0.203 0.000 0.957 200 Q CB -0.255 28.300 28.738 -0.304 0.000 1.002 200 Q HN 0.455 nan 8.270 nan 0.000 0.502 201 F N -1.548 118.393 119.950 -0.014 0.000 2.871 201 F HA 0.237 4.769 4.527 0.007 0.000 0.344 201 F C 1.573 177.358 175.800 -0.025 0.000 1.078 201 F CA -0.295 57.694 58.000 -0.019 0.000 1.149 201 F CB 0.311 39.298 39.000 -0.022 0.000 1.087 201 F HN -0.057 nan 8.300 nan 0.000 0.557 202 I N 0.037 120.680 120.570 0.122 0.000 2.252 202 I HA -0.255 3.919 4.170 0.007 0.000 0.245 202 I C 2.192 178.345 176.117 0.060 0.000 1.102 202 I CA 1.529 62.885 61.300 0.093 0.000 1.385 202 I CB -0.341 37.733 38.000 0.123 0.000 1.064 202 I HN 0.099 nan 8.210 nan 0.000 0.414 203 I N 0.391 120.978 120.570 0.028 0.000 2.252 203 I HA -0.255 3.920 4.170 0.007 0.000 0.245 203 I C 2.560 178.681 176.117 0.007 0.000 1.102 203 I CA 1.273 62.576 61.300 0.004 0.000 1.385 203 I CB -0.193 37.793 38.000 -0.023 0.000 1.064 203 I HN 0.147 nan 8.210 nan 0.000 0.414 204 S N -0.043 115.663 115.700 0.010 0.000 2.440 204 S HA -0.183 4.291 4.470 0.007 0.000 0.238 204 S C 1.144 175.775 174.600 0.052 0.000 1.010 204 S CA 0.670 58.889 58.200 0.030 0.000 0.972 204 S CB -0.250 62.983 63.200 0.055 0.000 0.774 204 S HN 0.344 nan 8.310 nan 0.000 0.501 205 R N 1.301 121.837 120.500 0.060 0.000 3.531 205 R HA -0.136 4.208 4.340 0.007 0.000 0.280 205 R C -1.029 175.300 176.300 0.048 0.000 1.130 205 R CA 0.715 56.844 56.100 0.048 0.000 0.757 205 R CB -2.238 28.079 30.300 0.030 0.000 1.218 205 R HN 0.352 nan 8.270 nan 0.000 0.454 206 T N 0.396 114.995 114.554 0.074 0.000 2.930 206 T HA 0.002 4.356 4.350 0.007 0.000 0.306 206 T C 1.327 176.037 174.700 0.017 0.000 1.045 206 T CA -0.658 61.479 62.100 0.061 0.000 1.134 206 T CB 1.371 70.304 68.868 0.107 0.000 0.961 206 T HN 0.159 nan 8.240 nan 0.000 0.545 207 Q N 1.709 121.509 119.800 0.001 0.000 2.112 207 Q HA -0.197 4.148 4.340 0.007 0.000 0.206 207 Q C 2.620 178.597 176.000 -0.039 0.000 0.987 207 Q CA 1.853 57.643 55.803 -0.022 0.000 0.858 207 Q CB -0.716 28.007 28.738 -0.025 0.000 0.905 207 Q HN 0.919 nan 8.270 nan 0.000 0.420 208 A N 0.188 122.984 122.820 -0.039 0.000 2.131 208 A HA -0.150 4.174 4.320 0.007 0.000 0.220 208 A C 1.929 179.513 177.584 0.001 0.000 1.158 208 A CA 1.239 53.252 52.037 -0.039 0.000 0.665 208 A CB -0.221 18.721 19.000 -0.096 0.000 0.795 208 A HN 0.333 nan 8.150 nan 0.000 0.460 209 L N -2.511 118.693 121.223 -0.031 0.000 2.445 209 L HA 0.242 4.587 4.340 0.007 0.000 0.207 209 L C 1.921 178.792 176.870 0.001 0.000 1.053 209 L CA 0.927 55.748 54.840 -0.032 0.000 0.841 209 L CB -0.300 41.693 42.059 -0.110 0.000 1.074 209 L HN 0.149 nan 8.230 nan 0.000 0.479 210 M N -0.329 119.265 119.600 -0.009 0.000 2.279 210 M HA -0.107 4.377 4.480 0.007 0.000 0.264 210 M C 2.165 178.446 176.300 -0.032 0.000 1.062 210 M CA 1.566 56.864 55.300 -0.003 0.000 1.099 210 M CB -1.085 31.514 32.600 -0.001 0.000 1.394 210 M HN 0.281 nan 8.290 nan 0.000 0.426 211 L N -1.400 119.767 121.223 -0.094 0.000 2.156 211 L HA -0.167 4.177 4.340 0.007 0.000 0.208 211 L C 1.874 178.595 176.870 -0.248 0.000 1.095 211 L CA 0.782 55.503 54.840 -0.197 0.000 0.770 211 L CB -0.480 41.393 42.059 -0.310 0.000 0.914 211 L HN 0.342 nan 8.230 nan 0.000 0.439 212 H N -0.216 118.833 119.070 -0.035 0.000 2.517 212 H HA 0.145 4.705 4.556 0.007 0.000 0.282 212 H C 1.915 177.245 175.328 0.003 0.000 1.023 212 H CA 0.123 56.151 56.048 -0.033 0.000 1.169 212 H CB 0.103 29.821 29.762 -0.073 0.000 1.454 212 H HN 0.366 nan 8.280 nan 0.000 0.556 213 I N -0.119 120.513 120.570 0.102 0.000 2.253 213 I HA -0.423 3.751 4.170 0.007 0.000 0.234 213 I C 1.758 177.943 176.117 0.114 0.000 0.978 213 I CA 2.125 63.493 61.300 0.114 0.000 1.271 213 I CB -0.483 37.560 38.000 0.071 0.000 0.978 213 I HN -0.018 nan 8.210 nan 0.000 0.394 214 D N 0.907 121.352 120.400 0.076 0.000 2.178 214 D HA -0.105 4.539 4.640 0.007 0.000 0.201 214 D C 2.440 178.761 176.300 0.034 0.000 0.980 214 D CA 1.731 55.760 54.000 0.048 0.000 0.842 214 D CB -0.298 40.540 40.800 0.065 0.000 0.948 214 D HN 0.496 nan 8.370 nan 0.000 0.472 215 S N 0.516 116.256 115.700 0.068 0.000 2.382 215 S HA -0.141 4.333 4.470 0.007 0.000 0.228 215 S C 1.625 176.241 174.600 0.027 0.000 1.027 215 S CA 0.433 58.653 58.200 0.033 0.000 0.991 215 S CB -0.281 62.933 63.200 0.024 0.000 0.823 215 S HN 0.209 nan 8.310 nan 0.000 0.469 216 F N 2.258 122.132 119.950 -0.128 0.000 2.084 216 F HA 0.046 4.577 4.527 0.007 0.000 0.296 216 F C 1.908 177.614 175.800 -0.158 0.000 1.111 216 F CA 0.534 58.447 58.000 -0.145 0.000 1.224 216 F CB -0.814 38.136 39.000 -0.084 0.000 0.991 216 F HN 0.087 nan 8.300 nan 0.000 0.471 217 I N 0.339 120.740 120.570 -0.282 0.000 2.118 217 I HA -0.349 3.825 4.170 0.007 0.000 0.241 217 I C 2.397 178.040 176.117 -0.791 0.000 1.070 217 I CA 1.983 62.892 61.300 -0.651 0.000 1.327 217 I CB -0.555 37.160 38.000 -0.475 0.000 1.034 217 I HN 0.218 nan 8.210 nan 0.000 0.405 218 E N 0.417 120.416 120.200 -0.336 0.000 2.077 218 E HA -0.212 4.142 4.350 0.007 0.000 0.193 218 E C 1.943 178.499 176.600 -0.073 0.000 0.989 218 E CA 0.983 57.319 56.400 -0.107 0.000 0.800 218 E CB -0.159 29.560 29.700 0.031 0.000 0.746 218 E HN 0.438 nan 8.360 nan 0.000 0.452 219 N N 0.694 119.360 118.700 -0.057 0.000 2.223 219 N HA -0.109 4.635 4.740 0.007 0.000 0.185 219 N C 1.913 177.480 175.510 0.094 0.000 1.016 219 N CA 0.690 53.794 53.050 0.090 0.000 0.863 219 N CB -0.013 38.570 38.487 0.160 0.000 0.983 219 N HN 0.170 nan 8.380 nan 0.000 0.429 220 L N -0.364 120.764 121.223 -0.158 0.000 2.027 220 L HA -0.117 4.227 4.340 0.007 0.000 0.206 220 L C 2.097 178.835 176.870 -0.219 0.000 1.074 220 L CA 1.051 55.716 54.840 -0.293 0.000 0.745 220 L CB -0.532 41.155 42.059 -0.620 0.000 0.898 220 L HN 0.121 nan 8.230 nan 0.000 0.433 221 F N -0.136 119.686 119.950 -0.213 0.000 2.095 221 F HA -0.271 4.260 4.527 0.007 0.000 0.298 221 F C 2.633 178.324 175.800 -0.181 0.000 1.104 221 F CA 0.583 58.436 58.000 -0.245 0.000 1.232 221 F CB -0.386 38.497 39.000 -0.195 0.000 0.987 221 F HN 0.085 nan 8.300 nan 0.000 0.475 222 A N -0.396 122.477 122.820 0.088 0.000 2.067 222 A HA -0.085 4.239 4.320 0.007 0.000 0.219 222 A C 1.946 179.529 177.584 -0.000 0.000 1.158 222 A CA 0.965 53.026 52.037 0.039 0.000 0.661 222 A CB -0.547 18.482 19.000 0.048 0.000 0.801 222 A HN 0.396 nan 8.150 nan 0.000 0.452 223 L N -1.304 119.901 121.223 -0.029 0.000 2.607 223 L HA 0.125 4.469 4.340 0.007 0.000 0.228 223 L C 2.510 179.339 176.870 -0.069 0.000 1.123 223 L CA 0.846 55.645 54.840 -0.069 0.000 0.890 223 L CB -0.558 41.417 42.059 -0.139 0.000 1.103 223 L HN 0.469 nan 8.230 nan 0.000 0.468 224 A N 0.551 123.313 122.820 -0.096 0.000 1.841 224 A HA -0.093 4.232 4.320 0.007 0.000 0.214 224 A C 2.186 179.800 177.584 0.050 0.000 1.195 224 A CA 1.620 53.580 52.037 -0.129 0.000 0.611 224 A CB -0.977 17.686 19.000 -0.562 0.000 0.835 224 A HN 0.389 nan 8.150 nan 0.000 0.443 225 G N -0.301 108.506 108.800 0.012 0.000 2.653 225 G HA2 -0.112 3.852 3.960 0.007 0.000 0.212 225 G HA3 -0.112 3.852 3.960 0.007 0.000 0.212 225 G C 0.477 175.395 174.900 0.030 0.000 1.138 225 G CA 0.524 45.648 45.100 0.041 0.000 0.782 225 G HN 0.578 nan 8.290 nan 0.000 0.535 226 D N 0.811 121.221 120.400 0.016 0.000 2.472 226 D HA 0.221 4.866 4.640 0.007 0.000 0.248 226 D C 0.844 177.145 176.300 0.001 0.000 1.174 226 D CA 0.581 54.579 54.000 -0.004 0.000 0.883 226 D CB 0.691 41.472 40.800 -0.031 0.000 1.149 226 D HN 0.325 nan 8.370 nan 0.000 0.488 227 E N 4.285 124.482 120.200 -0.004 0.000 2.424 227 E HA 0.024 4.378 4.350 0.007 0.000 0.237 227 E C 0.049 176.639 176.600 -0.017 0.000 1.381 227 E CA -0.054 56.343 56.400 -0.006 0.000 1.587 227 E CB -0.031 29.666 29.700 -0.004 0.000 1.398 227 E HN 0.408 nan 8.360 nan 0.000 0.439 228 E N -0.265 119.920 120.200 -0.024 0.000 2.274 228 E HA 0.245 4.599 4.350 0.007 0.000 0.269 228 E C -2.302 174.273 176.600 -0.042 0.000 0.891 228 E CA -2.017 54.361 56.400 -0.037 0.000 0.784 228 E CB 2.571 32.241 29.700 -0.050 0.000 1.225 228 E HN 0.011 nan 8.360 nan 0.000 0.412 229 P HA -0.111 nan 4.420 nan 0.000 0.216 229 P C 1.100 178.370 177.300 -0.049 0.000 1.153 229 P CA 0.822 63.898 63.100 -0.039 0.000 0.844 229 P CB 0.595 32.275 31.700 -0.034 0.000 0.787 230 E N 0.047 120.210 120.200 -0.061 0.000 2.085 230 E HA -0.144 4.210 4.350 0.007 0.000 0.194 230 E C 1.900 178.440 176.600 -0.099 0.000 0.994 230 E CA 1.177 57.530 56.400 -0.079 0.000 0.801 230 E CB -1.290 28.352 29.700 -0.097 0.000 0.743 230 E HN -0.079 nan 8.360 nan 0.000 0.453 231 V N 0.439 120.287 119.914 -0.110 0.000 2.295 231 V HA -0.224 3.900 4.120 0.007 0.000 0.246 231 V C 2.620 178.657 176.094 -0.095 0.000 1.049 231 V CA 2.152 64.372 62.300 -0.133 0.000 1.024 231 V CB -0.489 31.253 31.823 -0.136 0.000 0.648 231 V HN 0.254 nan 8.190 nan 0.000 0.447 232 R N 0.456 120.923 120.500 -0.056 0.000 2.105 232 R HA -0.223 4.121 4.340 0.007 0.000 0.239 232 R C 2.395 178.686 176.300 -0.015 0.000 1.135 232 R CA 1.972 58.063 56.100 -0.014 0.000 0.967 232 R CB -0.138 30.159 30.300 -0.005 0.000 0.861 232 R HN 0.735 nan 8.270 nan 0.000 0.442 233 K N -0.587 119.793 120.400 -0.034 0.000 2.062 233 K HA -0.023 4.301 4.320 0.007 0.000 0.205 233 K C 1.659 178.245 176.600 -0.023 0.000 1.051 233 K CA 1.314 57.584 56.287 -0.027 0.000 0.941 233 K CB -0.256 32.228 32.500 -0.025 0.000 0.719 233 K HN 0.054 nan 8.250 nan 0.000 0.440 234 N N 1.329 120.005 118.700 -0.040 0.000 2.104 234 N HA -0.134 4.610 4.740 0.007 0.000 0.190 234 N C 1.992 177.486 175.510 -0.026 0.000 1.024 234 N CA 1.637 54.666 53.050 -0.036 0.000 0.853 234 N CB -0.433 38.011 38.487 -0.072 0.000 1.008 234 N HN 0.064 nan 8.380 nan 0.000 0.424 235 V N 1.056 120.939 119.914 -0.052 0.000 2.332 235 V HA -0.267 3.857 4.120 0.007 0.000 0.248 235 V C 2.607 178.696 176.094 -0.009 0.000 1.055 235 V CA 1.268 63.533 62.300 -0.059 0.000 1.038 235 V CB -0.768 31.026 31.823 -0.049 0.000 0.651 235 V HN 0.354 nan 8.190 nan 0.000 0.450 236 C N -0.585 118.728 119.300 0.022 0.000 2.453 236 C HA -0.117 4.347 4.460 0.007 0.000 0.277 236 C C 2.965 177.969 174.990 0.024 0.000 1.262 236 C CA 1.270 60.300 59.018 0.019 0.000 1.718 236 C CB -0.993 26.735 27.740 -0.021 0.000 2.031 236 C HN 0.547 nan 8.230 nan 0.000 0.480 237 R N 0.994 121.506 120.500 0.020 0.000 2.091 237 R HA -0.127 4.217 4.340 0.007 0.000 0.238 237 R C 2.206 178.537 176.300 0.051 0.000 1.136 237 R CA 1.778 57.897 56.100 0.033 0.000 0.959 237 R CB -0.401 29.914 30.300 0.025 0.000 0.856 237 R HN 0.510 nan 8.270 nan 0.000 0.437 238 A N 0.646 123.501 122.820 0.058 0.000 1.877 238 A HA -0.146 4.178 4.320 0.007 0.000 0.216 238 A C 2.146 179.759 177.584 0.048 0.000 1.186 238 A CA 1.306 53.402 52.037 0.099 0.000 0.620 238 A CB -0.650 18.407 19.000 0.095 0.000 0.822 238 A HN 0.357 nan 8.150 nan 0.000 0.443 239 L N -0.480 120.742 121.223 -0.002 0.000 2.265 239 L HA -0.156 4.188 4.340 0.007 0.000 0.215 239 L C 2.422 179.362 176.870 0.117 0.000 1.117 239 L CA 0.660 55.519 54.840 0.031 0.000 0.782 239 L CB -0.323 41.760 42.059 0.040 0.000 0.914 239 L HN 0.273 nan 8.230 nan 0.000 0.441 240 V N -0.457 119.519 119.914 0.103 0.000 2.302 240 V HA -0.268 3.856 4.120 0.007 0.000 0.243 240 V C 2.352 178.451 176.094 0.009 0.000 1.036 240 V CA 1.745 64.081 62.300 0.061 0.000 1.020 240 V CB -0.247 31.604 31.823 0.048 0.000 0.657 240 V HN 0.363 nan 8.190 nan 0.000 0.453 241 M N -0.663 118.956 119.600 0.032 0.000 2.202 241 M HA -0.172 4.313 4.480 0.007 0.000 0.262 241 M C 2.092 178.416 176.300 0.040 0.000 1.063 241 M CA 1.787 57.105 55.300 0.031 0.000 1.097 241 M CB -0.479 32.154 32.600 0.056 0.000 1.382 241 M HN 0.241 nan 8.290 nan 0.000 0.413 242 L N -0.163 121.096 121.223 0.060 0.000 2.191 242 L HA -0.189 4.155 4.340 0.007 0.000 0.212 242 L C 2.383 179.266 176.870 0.022 0.000 1.103 242 L CA 0.422 55.296 54.840 0.057 0.000 0.769 242 L CB -0.461 41.628 42.059 0.050 0.000 0.908 242 L HN 0.361 nan 8.230 nan 0.000 0.438 243 L N 0.013 121.230 121.223 -0.010 0.000 2.141 243 L HA -0.204 4.140 4.340 0.007 0.000 0.209 243 L C 2.196 179.034 176.870 -0.053 0.000 1.094 243 L CA 1.828 56.630 54.840 -0.063 0.000 0.763 243 L CB -0.579 41.375 42.059 -0.176 0.000 0.908 243 L HN 0.341 nan 8.230 nan 0.000 0.437 244 E N -2.117 118.060 120.200 -0.038 0.000 2.452 244 E HA -0.016 4.338 4.350 0.007 0.000 0.197 244 E C 1.807 178.400 176.600 -0.012 0.000 1.022 244 E CA 0.083 56.463 56.400 -0.033 0.000 0.890 244 E CB 0.584 30.261 29.700 -0.039 0.000 0.918 244 E HN 0.200 nan 8.360 nan 0.000 0.496 245 V N -0.347 119.571 119.914 0.006 0.000 3.359 245 V HA 0.261 4.385 4.120 0.007 0.000 0.245 245 V C 0.558 176.667 176.094 0.025 0.000 1.247 245 V CA 0.209 62.520 62.300 0.018 0.000 1.145 245 V CB 0.735 32.578 31.823 0.033 0.000 0.906 245 V HN -0.075 nan 8.190 nan 0.000 0.464 246 R N -0.112 120.407 120.500 0.031 0.000 2.655 246 R HA 0.389 4.733 4.340 0.007 0.000 0.261 246 R C 0.568 176.888 176.300 0.033 0.000 1.624 246 R CA -0.088 56.034 56.100 0.036 0.000 1.655 246 R CB 0.242 30.574 30.300 0.054 0.000 1.356 246 R HN 0.231 nan 8.270 nan 0.000 0.684 247 M N 0.711 120.324 119.600 0.021 0.000 2.159 247 M HA -0.124 4.361 4.480 0.007 0.000 0.263 247 M C 0.925 177.248 176.300 0.038 0.000 1.063 247 M CA 2.436 57.747 55.300 0.019 0.000 1.110 247 M CB 0.001 32.603 32.600 0.004 0.000 1.374 247 M HN 0.503 nan 8.290 nan 0.000 0.411 248 D N -1.015 119.408 120.400 0.038 0.000 2.182 248 D HA -0.216 4.428 4.640 0.007 0.000 0.201 248 D C 1.741 178.082 176.300 0.069 0.000 0.986 248 D CA 1.216 55.244 54.000 0.047 0.000 0.847 248 D CB -0.434 40.389 40.800 0.038 0.000 0.942 248 D HN 0.298 nan 8.370 nan 0.000 0.467 249 R N -0.240 120.303 120.500 0.072 0.000 2.161 249 R HA 0.204 4.548 4.340 0.007 0.000 0.213 249 R C 2.291 178.676 176.300 0.141 0.000 1.055 249 R CA 0.331 56.489 56.100 0.096 0.000 0.996 249 R CB -0.345 29.996 30.300 0.069 0.000 0.901 249 R HN 0.369 nan 8.270 nan 0.000 0.456 250 L N 0.091 121.384 121.223 0.118 0.000 2.270 250 L HA 0.014 4.358 4.340 0.007 0.000 0.210 250 L C 2.397 179.388 176.870 0.201 0.000 1.104 250 L CA 0.332 55.265 54.840 0.154 0.000 0.804 250 L CB -0.337 41.786 42.059 0.107 0.000 0.937 250 L HN 0.076 nan 8.230 nan 0.000 0.450 251 L N 0.623 121.930 121.223 0.140 0.000 2.013 251 L HA -0.189 4.155 4.340 0.007 0.000 0.212 251 L C -0.173 176.778 176.870 0.135 0.000 1.073 251 L CA 1.760 56.668 54.840 0.114 0.000 0.753 251 L CB -1.096 41.011 42.059 0.079 0.000 0.890 251 L HN 0.192 nan 8.230 nan 0.000 0.432 252 P HA -0.190 nan 4.420 nan 0.000 0.218 252 P C 0.868 178.151 177.300 -0.028 0.000 1.146 252 P CA 1.570 64.705 63.100 0.058 0.000 0.820 252 P CB -0.088 31.646 31.700 0.057 0.000 0.778 253 H N -3.308 115.828 119.070 0.110 0.000 2.393 253 H HA 0.159 4.719 4.556 0.007 0.000 0.307 253 H C 1.839 177.225 175.328 0.098 0.000 1.038 253 H CA 0.395 56.500 56.048 0.095 0.000 1.351 253 H CB -0.469 29.371 29.762 0.130 0.000 1.464 253 H HN -0.135 nan 8.280 nan 0.000 0.575 254 M N 0.763 120.501 119.600 0.230 0.000 3.258 254 M HA -0.402 4.082 4.480 0.007 0.000 0.286 254 M C 2.015 178.355 176.300 0.067 0.000 0.540 254 M CA 2.171 57.533 55.300 0.104 0.000 0.826 254 M CB -1.845 30.743 32.600 -0.020 0.000 1.717 254 M HN 0.478 nan 8.290 nan 0.000 0.531 255 H N -1.443 117.728 119.070 0.168 0.000 2.518 255 H HA -0.107 4.453 4.556 0.007 0.000 0.294 255 H C 1.760 177.183 175.328 0.159 0.000 1.083 255 H CA 1.721 57.896 56.048 0.211 0.000 1.264 255 H CB -0.339 29.568 29.762 0.241 0.000 1.370 255 H HN 0.518 nan 8.280 nan 0.000 0.560 256 N N -0.007 118.811 118.700 0.197 0.000 2.336 256 N HA -0.011 4.733 4.740 0.007 0.000 0.177 256 N C 1.416 176.952 175.510 0.044 0.000 1.018 256 N CA 0.553 53.659 53.050 0.093 0.000 0.878 256 N CB 0.175 38.678 38.487 0.026 0.000 0.997 256 N HN 0.261 nan 8.380 nan 0.000 0.433 257 I N -0.586 120.020 120.570 0.061 0.000 2.439 257 I HA -0.141 4.033 4.170 0.007 0.000 0.251 257 I C 1.803 177.885 176.117 -0.059 0.000 1.139 257 I CA 0.439 61.762 61.300 0.038 0.000 1.438 257 I CB -0.259 37.805 38.000 0.107 0.000 1.085 257 I HN -0.038 nan 8.210 nan 0.000 0.427 258 V N 1.249 121.141 119.914 -0.037 0.000 2.255 258 V HA -0.244 3.880 4.120 0.007 0.000 0.247 258 V C 2.573 178.691 176.094 0.040 0.000 1.051 258 V CA 1.864 64.133 62.300 -0.053 0.000 1.018 258 V CB -0.684 31.013 31.823 -0.209 0.000 0.641 258 V HN 0.426 nan 8.190 nan 0.000 0.445 259 E N -0.562 119.688 120.200 0.084 0.000 2.171 259 E HA -0.281 4.073 4.350 0.007 0.000 0.197 259 E C 2.049 178.709 176.600 0.100 0.000 0.997 259 E CA 1.886 58.362 56.400 0.126 0.000 0.810 259 E CB -0.409 29.375 29.700 0.141 0.000 0.738 259 E HN 0.799 nan 8.360 nan 0.000 0.467 260 Y N 0.769 121.036 120.300 -0.055 0.000 2.184 260 Y HA -0.102 4.453 4.550 0.007 0.000 0.290 260 Y C 2.293 178.121 175.900 -0.119 0.000 1.129 260 Y CA 1.239 59.288 58.100 -0.085 0.000 1.144 260 Y CB -0.097 38.299 38.460 -0.107 0.000 0.995 260 Y HN -0.123 nan 8.280 nan 0.000 0.513 261 M N -0.546 118.878 119.600 -0.292 0.000 2.175 261 M HA -0.147 4.337 4.480 0.007 0.000 0.264 261 M C 2.206 178.464 176.300 -0.071 0.000 1.063 261 M CA 1.163 56.159 55.300 -0.506 0.000 1.119 261 M CB -1.247 30.615 32.600 -1.230 0.000 1.377 261 M HN 0.460 nan 8.290 nan 0.000 0.415 262 L N 0.773 122.122 121.223 0.210 0.000 2.079 262 L HA -0.197 4.147 4.340 0.007 0.000 0.210 262 L C 2.392 179.290 176.870 0.046 0.000 1.081 262 L CA 1.831 56.821 54.840 0.249 0.000 0.752 262 L CB -0.602 41.547 42.059 0.151 0.000 0.896 262 L HN 0.293 nan 8.230 nan 0.000 0.433 263 Q N -0.837 118.927 119.800 -0.061 0.000 2.187 263 Q HA -0.055 4.289 4.340 0.007 0.000 0.199 263 Q C 2.240 178.139 176.000 -0.167 0.000 0.957 263 Q CA 0.771 56.511 55.803 -0.106 0.000 0.857 263 Q CB -0.073 28.598 28.738 -0.110 0.000 0.929 263 Q HN 0.444 nan 8.270 nan 0.000 0.453 264 R N -0.142 120.180 120.500 -0.298 0.000 2.153 264 R HA 0.033 4.377 4.340 0.007 0.000 0.218 264 R C 2.031 178.253 176.300 -0.129 0.000 1.072 264 R CA 0.829 56.753 56.100 -0.294 0.000 0.990 264 R CB -0.813 29.191 30.300 -0.494 0.000 0.889 264 R HN 0.225 nan 8.270 nan 0.000 0.452 265 T N 0.961 115.495 114.554 -0.033 0.000 2.881 265 T HA -0.122 4.232 4.350 0.007 0.000 0.270 265 T C 1.571 176.283 174.700 0.019 0.000 1.068 265 T CA 1.056 63.203 62.100 0.079 0.000 1.131 265 T CB 0.017 69.066 68.868 0.301 0.000 0.871 265 T HN 0.262 nan 8.240 nan 0.000 0.479 266 Q N 0.378 120.168 119.800 -0.016 0.000 2.280 266 Q HA 0.097 4.441 4.340 0.007 0.000 0.201 266 Q C -0.097 175.878 176.000 -0.042 0.000 0.890 266 Q CA -0.290 55.494 55.803 -0.030 0.000 0.947 266 Q CB 0.304 29.023 28.738 -0.033 0.000 1.081 266 Q HN 0.315 nan 8.270 nan 0.000 0.502 267 D N 1.324 121.692 120.400 -0.053 0.000 2.423 267 D HA -0.081 4.563 4.640 0.007 0.000 0.238 267 D C -0.224 176.051 176.300 -0.043 0.000 1.142 267 D CA 0.129 54.096 54.000 -0.056 0.000 0.884 267 D CB 0.747 41.504 40.800 -0.071 0.000 1.199 267 D HN 0.193 nan 8.370 nan 0.000 0.438 268 Q N 2.108 121.885 119.800 -0.038 0.000 2.474 268 Q HA 0.110 4.454 4.340 0.007 0.000 0.256 268 Q C -0.384 175.597 176.000 -0.032 0.000 1.048 268 Q CA -0.374 55.410 55.803 -0.032 0.000 0.922 268 Q CB 0.530 29.251 28.738 -0.028 0.000 1.288 268 Q HN 0.525 nan 8.270 nan 0.000 0.484 269 D N 0.294 120.676 120.400 -0.029 0.000 5.036 269 D HA -0.167 4.477 4.640 0.007 0.000 0.231 269 D C 0.326 176.609 176.300 -0.028 0.000 1.396 269 D CA 1.151 55.135 54.000 -0.027 0.000 1.180 269 D CB -0.479 40.305 40.800 -0.027 0.000 0.614 269 D HN 0.886 nan 8.370 nan 0.000 0.300 270 E N 3.838 124.023 120.200 -0.026 0.000 2.204 270 E HA -0.199 4.155 4.350 0.007 0.000 0.194 270 E C 1.607 178.195 176.600 -0.020 0.000 0.989 270 E CA 1.572 57.956 56.400 -0.027 0.000 0.824 270 E CB -0.355 29.328 29.700 -0.029 0.000 0.756 270 E HN 0.660 nan 8.360 nan 0.000 0.477 271 N N 0.623 119.314 118.700 -0.014 0.000 2.025 271 N HA -0.151 4.593 4.740 0.007 0.000 0.194 271 N C 2.116 177.621 175.510 -0.008 0.000 1.044 271 N CA 2.118 55.164 53.050 -0.006 0.000 0.851 271 N CB -0.642 37.840 38.487 -0.008 0.000 1.036 271 N HN 0.363 nan 8.380 nan 0.000 0.422 272 V N 1.834 121.736 119.914 -0.021 0.000 2.332 272 V HA -0.200 3.924 4.120 0.007 0.000 0.248 272 V C 2.544 178.617 176.094 -0.035 0.000 1.055 272 V CA 1.777 64.058 62.300 -0.032 0.000 1.038 272 V CB -1.148 30.648 31.823 -0.044 0.000 0.651 272 V HN 0.310 nan 8.190 nan 0.000 0.450 273 A N 0.224 123.026 122.820 -0.030 0.000 1.883 273 A HA -0.210 4.114 4.320 0.007 0.000 0.217 273 A C 2.193 179.778 177.584 0.002 0.000 1.186 273 A CA 2.220 54.244 52.037 -0.023 0.000 0.624 273 A CB -0.629 18.356 19.000 -0.025 0.000 0.822 273 A HN 0.460 nan 8.150 nan 0.000 0.444 274 L N -0.236 120.990 121.223 0.004 0.000 2.017 274 L HA -0.142 4.202 4.340 0.007 0.000 0.208 274 L C 2.151 179.062 176.870 0.068 0.000 1.073 274 L CA 2.423 57.281 54.840 0.029 0.000 0.745 274 L CB -0.751 41.324 42.059 0.027 0.000 0.894 274 L HN 0.355 nan 8.230 nan 0.000 0.432 275 E N 0.014 120.242 120.200 0.046 0.000 2.153 275 E HA -0.177 4.177 4.350 0.007 0.000 0.194 275 E C 2.168 178.779 176.600 0.017 0.000 0.988 275 E CA 1.266 57.692 56.400 0.043 0.000 0.811 275 E CB -0.387 29.325 29.700 0.020 0.000 0.746 275 E HN 0.658 nan 8.360 nan 0.000 0.466 276 A N 0.661 123.470 122.820 -0.018 0.000 1.930 276 A HA -0.172 4.152 4.320 0.007 0.000 0.217 276 A C 2.555 180.104 177.584 -0.059 0.000 1.175 276 A CA 1.339 53.326 52.037 -0.083 0.000 0.627 276 A CB -1.029 17.902 19.000 -0.115 0.000 0.815 276 A HN 0.439 nan 8.150 nan 0.000 0.443 277 c N 0.251 118.892 118.600 0.069 0.000 2.413 277 c HA -0.118 4.456 4.570 0.007 0.000 0.276 277 c C 2.442 176.631 174.090 0.165 0.000 1.248 277 c CA 1.513 57.964 56.329 0.203 0.000 1.742 277 c CB -1.264 41.356 42.510 0.183 0.000 2.017 277 c HN 0.643 nan 8.230 nan 0.000 0.481 278 E N -0.236 120.046 120.200 0.137 0.000 2.273 278 E HA -0.240 4.114 4.350 0.007 0.000 0.198 278 E C 1.659 178.274 176.600 0.024 0.000 1.002 278 E CA 1.299 57.776 56.400 0.127 0.000 0.828 278 E CB -0.642 29.123 29.700 0.107 0.000 0.747 278 E HN 0.865 nan 8.360 nan 0.000 0.491 279 F N 0.535 120.327 119.950 -0.264 0.000 2.046 279 F HA -0.242 4.289 4.527 0.007 0.000 0.297 279 F C 1.943 177.531 175.800 -0.354 0.000 1.123 279 F CA 1.882 59.613 58.000 -0.450 0.000 1.199 279 F CB -0.590 37.905 39.000 -0.842 0.000 0.972 279 F HN -0.002 nan 8.300 nan 0.000 0.474 280 W N 0.188 121.603 121.300 0.193 0.000 2.342 280 W HA -0.155 4.509 4.660 0.007 0.000 0.297 280 W C 2.388 178.904 176.519 -0.004 0.000 1.213 280 W CA 0.706 58.103 57.345 0.087 0.000 1.251 280 W CB -0.805 28.733 29.460 0.130 0.000 1.136 280 W HN 0.089 nan 8.180 nan 0.000 0.526 281 L N -0.086 121.256 121.223 0.197 0.000 2.056 281 L HA -0.174 4.170 4.340 0.007 0.000 0.207 281 L C 2.382 179.258 176.870 0.010 0.000 1.078 281 L CA 1.532 56.446 54.840 0.123 0.000 0.749 281 L CB -0.619 41.534 42.059 0.157 0.000 0.901 281 L HN -0.037 nan 8.230 nan 0.000 0.433 282 T N -0.225 114.279 114.554 -0.083 0.000 2.770 282 T HA -0.173 4.181 4.350 0.007 0.000 0.263 282 T C 1.712 176.292 174.700 -0.200 0.000 1.039 282 T CA 1.196 63.206 62.100 -0.150 0.000 1.142 282 T CB -0.258 68.489 68.868 -0.201 0.000 0.868 282 T HN 0.147 nan 8.240 nan 0.000 0.435 283 L N 2.008 123.032 121.223 -0.332 0.000 2.042 283 L HA 0.028 4.372 4.340 0.007 0.000 0.210 283 L C 2.469 179.272 176.870 -0.113 0.000 1.076 283 L CA 1.918 56.575 54.840 -0.305 0.000 0.749 283 L CB -1.060 40.748 42.059 -0.418 0.000 0.893 283 L HN 0.243 nan 8.230 nan 0.000 0.432 284 A N -1.551 121.247 122.820 -0.036 0.000 2.259 284 A HA -0.172 4.152 4.320 0.007 0.000 0.212 284 A C 2.167 179.730 177.584 -0.034 0.000 1.178 284 A CA 1.395 53.429 52.037 -0.004 0.000 0.734 284 A CB -0.660 18.370 19.000 0.050 0.000 0.774 284 A HN 0.644 nan 8.150 nan 0.000 0.481 285 E N -0.309 119.861 120.200 -0.051 0.000 2.481 285 E HA 0.010 4.364 4.350 0.007 0.000 0.198 285 E C -0.374 176.193 176.600 -0.055 0.000 1.027 285 E CA -0.025 56.345 56.400 -0.049 0.000 0.900 285 E CB 0.152 29.823 29.700 -0.049 0.000 0.993 285 E HN 0.642 nan 8.360 nan 0.000 0.482 286 Q N 0.054 119.816 119.800 -0.063 0.000 2.282 286 Q HA 0.244 4.588 4.340 0.007 0.000 0.260 286 Q C -2.143 173.829 176.000 -0.047 0.000 0.964 286 Q CA -2.278 53.492 55.803 -0.055 0.000 0.880 286 Q CB 1.398 30.097 28.738 -0.065 0.000 1.286 286 Q HN -0.081 nan 8.270 nan 0.000 0.445 287 P HA -0.106 nan 4.420 nan 0.000 0.221 287 P C 0.895 178.178 177.300 -0.027 0.000 1.145 287 P CA 0.927 64.007 63.100 -0.034 0.000 0.795 287 P CB 0.172 31.858 31.700 -0.023 0.000 0.775 288 I N -0.983 119.576 120.570 -0.018 0.000 2.454 288 I HA -0.224 3.950 4.170 0.007 0.000 0.254 288 I C 2.645 178.764 176.117 0.004 0.000 1.156 288 I CA 1.044 62.343 61.300 -0.001 0.000 1.433 288 I CB -1.375 36.624 38.000 -0.001 0.000 1.082 288 I HN 0.117 nan 8.210 nan 0.000 0.432 289 C N 1.735 121.025 119.300 -0.017 0.000 2.393 289 C HA -0.318 4.146 4.460 0.007 0.000 0.276 289 C C 3.274 178.265 174.990 0.003 0.000 1.215 289 C CA 2.319 61.336 59.018 -0.002 0.000 1.743 289 C CB -1.343 26.379 27.740 -0.031 0.000 2.044 289 C HN 0.526 nan 8.230 nan 0.000 0.464 290 K N 0.036 120.386 120.400 -0.083 0.000 2.015 290 K HA -0.305 4.019 4.320 0.007 0.000 0.220 290 K C 1.723 178.355 176.600 0.053 0.000 1.055 290 K CA 2.779 58.971 56.287 -0.159 0.000 0.951 290 K CB -1.601 30.809 32.500 -0.149 0.000 0.725 290 K HN 0.772 nan 8.250 nan 0.000 0.449 291 D N -0.523 119.927 120.400 0.082 0.000 2.224 291 D HA -0.047 4.597 4.640 0.007 0.000 0.205 291 D C 1.773 178.198 176.300 0.208 0.000 0.965 291 D CA 1.025 55.109 54.000 0.141 0.000 0.852 291 D CB 0.182 41.045 40.800 0.106 0.000 0.947 291 D HN 0.199 nan 8.370 nan 0.000 0.494 292 V N 0.311 120.341 119.914 0.193 0.000 2.323 292 V HA -0.142 3.982 4.120 0.007 0.000 0.244 292 V C 2.566 178.876 176.094 0.359 0.000 1.041 292 V CA 1.132 63.574 62.300 0.236 0.000 1.025 292 V CB -0.366 31.480 31.823 0.039 0.000 0.656 292 V HN 0.293 nan 8.190 nan 0.000 0.451 293 L N -0.261 121.158 121.223 0.328 0.000 2.217 293 L HA -0.085 4.259 4.340 0.007 0.000 0.211 293 L C 2.413 179.470 176.870 0.312 0.000 1.107 293 L CA 0.564 55.636 54.840 0.386 0.000 0.783 293 L CB -0.458 41.809 42.059 0.347 0.000 0.919 293 L HN 0.236 nan 8.230 nan 0.000 0.442 294 V N 0.110 120.194 119.914 0.283 0.000 2.311 294 V HA -0.426 3.698 4.120 0.007 0.000 0.256 294 V C 2.627 178.712 176.094 -0.014 0.000 1.077 294 V CA 2.451 64.806 62.300 0.092 0.000 1.067 294 V CB -0.976 30.946 31.823 0.165 0.000 0.659 294 V HN 0.566 nan 8.190 nan 0.000 0.451 295 R N -0.857 119.656 120.500 0.022 0.000 2.096 295 R HA -0.162 4.182 4.340 0.007 0.000 0.235 295 R C 2.287 178.458 176.300 -0.214 0.000 1.127 295 R CA 1.728 57.752 56.100 -0.126 0.000 0.968 295 R CB -0.274 29.896 30.300 -0.218 0.000 0.861 295 R HN 0.687 nan 8.270 nan 0.000 0.440 296 H N 0.299 119.368 119.070 -0.002 0.000 2.525 296 H HA 0.020 4.580 4.556 0.007 0.000 0.275 296 H C 2.239 177.472 175.328 -0.158 0.000 0.984 296 H CA 0.809 56.834 56.048 -0.038 0.000 1.264 296 H CB 0.135 29.914 29.762 0.027 0.000 1.432 296 H HN 0.190 nan 8.280 nan 0.000 0.549 297 L N 0.876 122.000 121.223 -0.165 0.000 2.030 297 L HA -0.215 4.129 4.340 0.007 0.000 0.222 297 L C -0.392 176.278 176.870 -0.334 0.000 1.082 297 L CA 1.820 56.414 54.840 -0.409 0.000 0.785 297 L CB -1.804 39.713 42.059 -0.905 0.000 0.895 297 L HN 0.255 nan 8.230 nan 0.000 0.439 298 P HA -0.177 nan 4.420 nan 0.000 0.219 298 P C 1.506 178.762 177.300 -0.074 0.000 1.146 298 P CA 2.143 65.201 63.100 -0.070 0.000 0.808 298 P CB -0.020 31.679 31.700 -0.001 0.000 0.779 299 K N -0.197 120.155 120.400 -0.080 0.000 2.098 299 K HA 0.042 4.367 4.320 0.007 0.000 0.203 299 K C 1.983 178.507 176.600 -0.125 0.000 1.051 299 K CA 0.893 57.140 56.287 -0.066 0.000 0.957 299 K CB -1.478 31.014 32.500 -0.013 0.000 0.738 299 K HN 0.092 nan 8.250 nan 0.000 0.447 300 L N -0.229 120.876 121.223 -0.195 0.000 1.973 300 L HA -0.086 4.258 4.340 0.007 0.000 0.208 300 L C 2.582 179.275 176.870 -0.295 0.000 1.073 300 L CA 1.503 56.133 54.840 -0.351 0.000 0.746 300 L CB -0.293 41.475 42.059 -0.486 0.000 0.891 300 L HN 0.331 nan 8.230 nan 0.000 0.433 301 I N 0.298 120.725 120.570 -0.239 0.000 2.113 301 I HA -0.280 3.894 4.170 0.007 0.000 0.242 301 I C -0.626 175.412 176.117 -0.131 0.000 1.057 301 I CA 2.109 63.306 61.300 -0.173 0.000 1.314 301 I CB -1.592 36.331 38.000 -0.129 0.000 1.022 301 I HN 0.233 nan 8.210 nan 0.000 0.408 302 P HA -0.145 nan 4.420 nan 0.000 0.217 302 P C 1.974 179.218 177.300 -0.093 0.000 1.148 302 P CA 1.284 64.334 63.100 -0.082 0.000 0.828 302 P CB -0.029 31.631 31.700 -0.066 0.000 0.783 303 V N -0.914 118.928 119.914 -0.120 0.000 2.379 303 V HA -0.196 3.928 4.120 0.007 0.000 0.245 303 V C 2.454 178.479 176.094 -0.116 0.000 1.044 303 V CA 1.464 63.696 62.300 -0.114 0.000 1.036 303 V CB -1.182 30.564 31.823 -0.129 0.000 0.664 303 V HN 0.057 nan 8.190 nan 0.000 0.453 304 L N -0.249 120.882 121.223 -0.153 0.000 1.970 304 L HA -0.172 4.172 4.340 0.007 0.000 0.212 304 L C 2.546 179.355 176.870 -0.101 0.000 1.071 304 L CA 1.500 56.263 54.840 -0.127 0.000 0.751 304 L CB -0.770 41.201 42.059 -0.147 0.000 0.889 304 L HN 0.172 nan 8.230 nan 0.000 0.432 305 V N 0.218 120.075 119.914 -0.095 0.000 2.324 305 V HA -0.364 3.760 4.120 0.007 0.000 0.250 305 V C 2.167 178.210 176.094 -0.084 0.000 1.060 305 V CA 2.400 64.651 62.300 -0.081 0.000 1.042 305 V CB -0.937 30.846 31.823 -0.067 0.000 0.650 305 V HN 0.555 nan 8.190 nan 0.000 0.450 306 N N 0.393 119.045 118.700 -0.081 0.000 2.166 306 N HA -0.119 4.626 4.740 0.007 0.000 0.186 306 N C 1.724 177.182 175.510 -0.086 0.000 1.019 306 N CA 1.329 54.331 53.050 -0.079 0.000 0.856 306 N CB -0.323 38.123 38.487 -0.069 0.000 0.993 306 N HN 0.462 nan 8.380 nan 0.000 0.426 307 G N -0.629 108.117 108.800 -0.090 0.000 2.813 307 G HA2 -0.044 3.920 3.960 0.007 0.000 0.209 307 G HA3 -0.044 3.920 3.960 0.007 0.000 0.209 307 G C 1.156 175.976 174.900 -0.134 0.000 1.150 307 G CA -0.054 44.987 45.100 -0.098 0.000 0.785 307 G HN 0.295 nan 8.290 nan 0.000 0.535 308 M N 0.469 119.984 119.600 -0.142 0.000 2.659 308 M HA 0.155 4.639 4.480 0.007 0.000 0.243 308 M C 1.133 177.290 176.300 -0.239 0.000 1.111 308 M CA 0.475 55.661 55.300 -0.190 0.000 1.070 308 M CB 0.139 32.648 32.600 -0.152 0.000 1.525 308 M HN 0.205 nan 8.290 nan 0.000 0.517 309 K N 0.196 120.493 120.400 -0.172 0.000 2.240 309 K HA 0.464 4.788 4.320 0.007 0.000 0.237 309 K C -0.964 175.618 176.600 -0.030 0.000 1.027 309 K CA -0.859 55.358 56.287 -0.118 0.000 0.937 309 K CB 0.788 33.252 32.500 -0.061 0.000 1.171 309 K HN -0.105 nan 8.250 nan 0.000 0.479 310 Y N -2.675 117.533 120.300 -0.153 0.000 2.553 310 Y HA 0.607 5.161 4.550 0.007 0.000 0.347 310 Y C 0.094 175.887 175.900 -0.178 0.000 1.019 310 Y CA -2.192 55.822 58.100 -0.143 0.000 1.032 310 Y CB 1.318 39.714 38.460 -0.106 0.000 1.284 310 Y HN 0.765 nan 8.280 nan 0.000 0.466 311 S N -0.399 115.293 115.700 -0.012 0.000 3.624 311 S HA -0.003 4.471 4.470 0.007 0.000 0.244 311 S C 1.000 175.544 174.600 -0.093 0.000 1.115 311 S CA 0.890 59.025 58.200 -0.110 0.000 0.820 311 S CB -0.220 62.922 63.200 -0.097 0.000 0.964 311 S HN 0.777 nan 8.310 nan 0.000 0.508 312 D N 2.441 122.811 120.400 -0.050 0.000 2.077 312 D HA -0.071 4.573 4.640 0.007 0.000 0.196 312 D C 2.009 178.290 176.300 -0.033 0.000 0.986 312 D CA 1.993 55.970 54.000 -0.038 0.000 0.829 312 D CB -0.591 40.195 40.800 -0.024 0.000 0.983 312 D HN 0.645 nan 8.370 nan 0.000 0.453 313 I N -0.815 119.751 120.570 -0.007 0.000 2.315 313 I HA -0.199 3.975 4.170 0.007 0.000 0.251 313 I C 2.103 178.189 176.117 -0.051 0.000 1.125 313 I CA 1.530 62.839 61.300 0.014 0.000 1.392 313 I CB -0.664 37.394 38.000 0.096 0.000 1.065 313 I HN -0.033 nan 8.210 nan 0.000 0.424 314 D N 2.493 122.802 120.400 -0.152 0.000 2.133 314 D HA -0.251 4.393 4.640 0.007 0.000 0.195 314 D C 2.147 178.378 176.300 -0.115 0.000 0.997 314 D CA 2.446 56.270 54.000 -0.293 0.000 0.840 314 D CB -0.066 40.500 40.800 -0.390 0.000 0.947 314 D HN 0.709 nan 8.370 nan 0.000 0.452 315 I N -1.366 119.162 120.570 -0.070 0.000 2.876 315 I HA -0.038 4.136 4.170 0.007 0.000 0.264 315 I C 1.943 178.054 176.117 -0.011 0.000 1.204 315 I CA 0.585 61.873 61.300 -0.021 0.000 1.485 315 I CB -0.340 37.648 38.000 -0.021 0.000 1.103 315 I HN -0.114 nan 8.210 nan 0.000 0.446 316 I N 0.484 121.043 120.570 -0.017 0.000 3.444 316 I HA -0.049 4.125 4.170 0.007 0.000 0.287 316 I C 1.865 177.980 176.117 -0.003 0.000 1.302 316 I CA 0.711 62.007 61.300 -0.006 0.000 1.368 316 I CB -0.373 37.627 38.000 -0.001 0.000 1.048 316 I HN 0.322 nan 8.210 nan 0.000 0.487 317 L N -0.316 120.902 121.223 -0.009 0.000 2.388 317 L HA 0.086 4.430 4.340 0.007 0.000 0.209 317 L C 2.275 179.144 176.870 -0.003 0.000 1.061 317 L CA 0.448 55.286 54.840 -0.004 0.000 0.834 317 L CB -0.006 42.045 42.059 -0.014 0.000 1.029 317 L HN 0.199 nan 8.230 nan 0.000 0.473 318 L N -0.312 120.917 121.223 0.009 0.000 1.982 318 L HA -0.078 4.266 4.340 0.007 0.000 0.206 318 L C 1.718 178.587 176.870 -0.002 0.000 1.078 318 L CA 1.074 55.916 54.840 0.004 0.000 0.749 318 L CB -0.183 41.897 42.059 0.036 0.000 0.894 318 L HN 0.112 nan 8.230 nan 0.000 0.436 370 I N -0.372 120.217 120.570 0.032 0.000 3.502 370 I HA 0.801 4.975 4.170 0.007 0.000 0.302 370 I C 0.955 177.092 176.117 0.033 0.000 1.170 370 I CA -0.893 60.428 61.300 0.034 0.000 0.953 370 I CB 0.845 38.876 38.000 0.050 0.000 1.475 370 I HN 0.775 nan 8.210 nan 0.000 0.657 371 S N 0.459 116.179 115.700 0.034 0.000 2.596 371 S HA 0.057 4.531 4.470 0.007 0.000 0.260 371 S C 0.461 175.102 174.600 0.068 0.000 1.336 371 S CA -0.063 58.167 58.200 0.049 0.000 0.993 371 S CB 0.644 63.877 63.200 0.054 0.000 0.923 371 S HN 0.715 nan 8.310 nan 0.000 0.567 372 D N -0.408 120.055 120.400 0.104 0.000 2.347 372 D HA 0.106 4.750 4.640 0.007 0.000 0.215 372 D C -0.253 176.231 176.300 0.308 0.000 0.976 372 D CA 0.774 54.864 54.000 0.151 0.000 0.884 372 D CB 0.037 40.909 40.800 0.120 0.000 0.915 372 D HN 0.594 nan 8.370 nan 0.000 0.526 373 W N 1.691 122.980 121.300 -0.019 0.000 3.544 373 W HA 0.155 4.819 4.660 0.007 0.000 0.326 373 W C -1.536 174.972 176.519 -0.018 0.000 1.137 373 W CA -0.628 56.704 57.345 -0.022 0.000 1.252 373 W CB 1.083 30.532 29.460 -0.018 0.000 1.302 373 W HN -0.142 nan 8.180 nan 0.000 0.467 374 N N 2.082 120.556 118.700 -0.376 0.000 3.157 374 N HA 0.346 5.090 4.740 0.007 0.000 0.291 374 N C -0.021 175.224 175.510 -0.441 0.000 1.515 374 N CA -0.749 52.134 53.050 -0.279 0.000 0.807 374 N CB 0.519 38.906 38.487 -0.165 0.000 1.672 374 N HN 0.195 nan 8.380 nan 0.000 0.592 375 L N 0.304 121.372 121.223 -0.258 0.000 2.012 375 L HA 0.052 4.396 4.340 0.007 0.000 0.210 375 L C 2.474 179.173 176.870 -0.285 0.000 1.073 375 L CA 1.830 56.534 54.840 -0.227 0.000 0.748 375 L CB -0.769 41.216 42.059 -0.124 0.000 0.891 375 L HN 0.800 nan 8.230 nan 0.000 0.431 376 R N -0.131 120.198 120.500 -0.285 0.000 2.115 376 R HA -0.247 4.097 4.340 0.007 0.000 0.239 376 R C 2.268 178.337 176.300 -0.384 0.000 1.133 376 R CA 2.417 58.328 56.100 -0.316 0.000 0.935 376 R CB -0.280 29.804 30.300 -0.359 0.000 0.853 376 R HN 0.411 nan 8.270 nan 0.000 0.433 377 K N -0.087 120.004 120.400 -0.515 0.000 2.057 377 K HA -0.170 4.154 4.320 0.007 0.000 0.207 377 K C 2.415 178.577 176.600 -0.730 0.000 1.049 377 K CA 1.360 57.273 56.287 -0.624 0.000 0.931 377 K CB -0.505 31.549 32.500 -0.743 0.000 0.714 377 K HN 0.340 nan 8.250 nan 0.000 0.440 378 c N 1.433 119.477 118.600 -0.926 0.000 2.432 378 c HA -0.132 4.442 4.570 0.007 0.000 0.277 378 c C 2.779 176.797 174.090 -0.120 0.000 1.249 378 c CA 1.504 57.546 56.329 -0.478 0.000 1.725 378 c CB -0.896 41.444 42.510 -0.284 0.000 2.028 378 c HN 0.448 nan 8.230 nan 0.000 0.477 379 S N 1.483 117.094 115.700 -0.148 0.000 2.356 379 S HA -0.097 4.377 4.470 0.007 0.000 0.223 379 S C 2.262 176.823 174.600 -0.065 0.000 1.032 379 S CA 1.519 59.679 58.200 -0.066 0.000 1.005 379 S CB -0.841 62.299 63.200 -0.100 0.000 0.867 379 S HN 0.875 nan 8.310 nan 0.000 0.449 380 A N 2.130 124.875 122.820 -0.124 0.000 1.865 380 A HA 0.029 4.353 4.320 0.007 0.000 0.217 380 A C 2.456 180.030 177.584 -0.016 0.000 1.191 380 A CA 1.983 53.965 52.037 -0.091 0.000 0.623 380 A CB -1.400 17.500 19.000 -0.165 0.000 0.826 380 A HN 0.566 nan 8.150 nan 0.000 0.444 381 A N -0.198 122.623 122.820 0.001 0.000 1.883 381 A HA 0.091 4.415 4.320 0.007 0.000 0.217 381 A C 2.565 180.220 177.584 0.118 0.000 1.186 381 A CA 2.563 54.665 52.037 0.109 0.000 0.624 381 A CB -1.252 17.905 19.000 0.263 0.000 0.822 381 A HN 1.206 nan 8.150 nan 0.000 0.444 382 A N -0.444 122.452 122.820 0.126 0.000 1.859 382 A HA -0.162 4.162 4.320 0.007 0.000 0.217 382 A C 2.166 179.806 177.584 0.094 0.000 1.198 382 A CA 2.008 54.130 52.037 0.141 0.000 0.629 382 A CB -0.854 18.258 19.000 0.187 0.000 0.830 382 A HN 0.839 nan 8.150 nan 0.000 0.446 383 L N 0.260 121.514 121.223 0.052 0.000 2.079 383 L HA -0.193 4.151 4.340 0.007 0.000 0.210 383 L C 2.046 178.951 176.870 0.058 0.000 1.081 383 L CA 2.694 57.555 54.840 0.035 0.000 0.752 383 L CB -0.634 41.428 42.059 0.005 0.000 0.896 383 L HN 0.549 nan 8.230 nan 0.000 0.433 384 D N -0.948 119.494 120.400 0.070 0.000 2.097 384 D HA -0.160 4.484 4.640 0.007 0.000 0.195 384 D C 2.060 178.403 176.300 0.071 0.000 0.989 384 D CA 1.763 55.811 54.000 0.080 0.000 0.827 384 D CB 0.112 40.971 40.800 0.100 0.000 0.966 384 D HN 0.264 nan 8.370 nan 0.000 0.456 385 V N 1.105 121.065 119.914 0.076 0.000 2.358 385 V HA -0.201 3.923 4.120 0.007 0.000 0.246 385 V C 2.815 178.947 176.094 0.063 0.000 1.047 385 V CA 1.000 63.337 62.300 0.063 0.000 1.035 385 V CB -0.454 31.408 31.823 0.066 0.000 0.658 385 V HN 0.236 nan 8.190 nan 0.000 0.452 386 L N 0.344 121.624 121.223 0.094 0.000 2.046 386 L HA -0.170 4.174 4.340 0.007 0.000 0.208 386 L C 2.746 179.718 176.870 0.171 0.000 1.077 386 L CA 1.588 56.517 54.840 0.148 0.000 0.747 386 L CB -0.881 41.285 42.059 0.178 0.000 0.896 386 L HN 0.357 nan 8.230 nan 0.000 0.432 387 A N -0.007 122.884 122.820 0.119 0.000 1.978 387 A HA -0.206 4.118 4.320 0.007 0.000 0.220 387 A C 2.045 179.675 177.584 0.076 0.000 1.170 387 A CA 1.784 53.882 52.037 0.102 0.000 0.636 387 A CB -0.526 18.513 19.000 0.065 0.000 0.810 387 A HN 0.460 nan 8.150 nan 0.000 0.448 388 N N -0.400 118.329 118.700 0.048 0.000 2.457 388 N HA -0.022 4.722 4.740 0.007 0.000 0.180 388 N C 1.475 176.980 175.510 -0.008 0.000 1.050 388 N CA 1.095 54.156 53.050 0.018 0.000 0.906 388 N CB 0.221 38.714 38.487 0.009 0.000 0.968 388 N HN 0.329 nan 8.380 nan 0.000 0.445 389 V N -0.478 119.420 119.914 -0.026 0.000 2.492 389 V HA -0.060 4.064 4.120 0.007 0.000 0.241 389 V C 1.334 177.308 176.094 -0.200 0.000 1.041 389 V CA 1.017 63.226 62.300 -0.153 0.000 1.057 389 V CB -0.377 31.292 31.823 -0.258 0.000 0.711 389 V HN 0.167 nan 8.190 nan 0.000 0.468 390 Y N -0.269 120.047 120.300 0.027 0.000 2.517 390 Y HA 0.142 4.696 4.550 0.007 0.000 0.281 390 Y C 1.760 177.680 175.900 0.034 0.000 1.125 390 Y CA 0.000 58.122 58.100 0.037 0.000 1.283 390 Y CB 0.162 38.651 38.460 0.048 0.000 1.042 390 Y HN 0.144 nan 8.280 nan 0.000 0.547 391 R N -0.195 120.397 120.500 0.153 0.000 3.869 391 R HA -0.323 4.021 4.340 0.007 0.000 0.424 391 R C 0.712 177.073 176.300 0.101 0.000 0.241 391 R CA 1.599 57.757 56.100 0.096 0.000 1.351 391 R CB -1.524 28.813 30.300 0.062 0.000 0.979 391 R HN 0.215 nan 8.270 nan 0.000 0.572 392 D N 1.150 121.598 120.400 0.079 0.000 2.224 392 D HA -0.049 4.595 4.640 0.007 0.000 0.205 392 D C 1.674 178.009 176.300 0.059 0.000 0.965 392 D CA 1.304 55.339 54.000 0.058 0.000 0.852 392 D CB -0.294 40.533 40.800 0.046 0.000 0.947 392 D HN 0.378 nan 8.370 nan 0.000 0.494 393 E N 0.381 120.640 120.200 0.098 0.000 2.331 393 E HA -0.091 4.263 4.350 0.007 0.000 0.199 393 E C 1.836 178.490 176.600 0.089 0.000 1.008 393 E CA 0.051 56.505 56.400 0.089 0.000 0.843 393 E CB -0.038 29.762 29.700 0.165 0.000 0.761 393 E HN 0.169 nan 8.360 nan 0.000 0.507 394 L N 0.298 121.590 121.223 0.114 0.000 2.217 394 L HA -0.100 4.244 4.340 0.007 0.000 0.211 394 L C 1.567 178.473 176.870 0.060 0.000 1.107 394 L CA 0.901 55.810 54.840 0.115 0.000 0.783 394 L CB -0.277 41.844 42.059 0.104 0.000 0.919 394 L HN 0.252 nan 8.230 nan 0.000 0.442 395 L N 0.917 122.136 121.223 -0.007 0.000 1.989 395 L HA -0.136 4.208 4.340 0.007 0.000 0.211 395 L C -0.032 176.767 176.870 -0.118 0.000 1.071 395 L CA 2.122 56.920 54.840 -0.070 0.000 0.749 395 L CB -2.696 39.318 42.059 -0.076 0.000 0.890 395 L HN 0.151 nan 8.230 nan 0.000 0.431 396 P HA -0.148 nan 4.420 nan 0.000 0.219 396 P C 1.329 178.463 177.300 -0.277 0.000 1.146 396 P CA 1.317 64.265 63.100 -0.253 0.000 0.808 396 P CB -0.140 31.347 31.700 -0.355 0.000 0.779 397 H N -2.305 116.711 119.070 -0.089 0.000 2.529 397 H HA 0.165 4.725 4.556 0.007 0.000 0.277 397 H C 1.845 177.120 175.328 -0.088 0.000 0.999 397 H CA 0.813 56.803 56.048 -0.097 0.000 1.256 397 H CB 0.212 29.895 29.762 -0.130 0.000 1.402 397 H HN 0.241 nan 8.280 nan 0.000 0.566 398 I N -0.702 119.867 120.570 -0.001 0.000 4.398 398 I HA -0.042 4.133 4.170 0.007 0.000 0.310 398 I C 1.761 177.837 176.117 -0.068 0.000 1.232 398 I CA 0.154 61.437 61.300 -0.029 0.000 1.312 398 I CB 0.277 38.262 38.000 -0.024 0.000 1.347 398 I HN -0.043 nan 8.210 nan 0.000 0.454 399 L N 2.189 123.346 121.223 -0.109 0.000 1.971 399 L HA -0.167 4.177 4.340 0.007 0.000 0.215 399 L C -0.562 176.256 176.870 -0.087 0.000 1.072 399 L CA 1.952 56.701 54.840 -0.151 0.000 0.758 399 L CB -2.095 39.827 42.059 -0.228 0.000 0.889 399 L HN 0.191 nan 8.230 nan 0.000 0.433 400 P HA -0.265 nan 4.420 nan 0.000 0.218 400 P C 1.902 179.191 177.300 -0.018 0.000 1.165 400 P CA 1.866 64.949 63.100 -0.029 0.000 0.922 400 P CB -0.079 31.603 31.700 -0.029 0.000 0.794 401 L N -2.029 119.180 121.223 -0.024 0.000 2.046 401 L HA -0.181 4.163 4.340 0.007 0.000 0.208 401 L C 2.644 179.505 176.870 -0.016 0.000 1.077 401 L CA 1.001 55.832 54.840 -0.016 0.000 0.747 401 L CB -1.066 40.978 42.059 -0.024 0.000 0.896 401 L HN -0.053 nan 8.230 nan 0.000 0.432 402 L N 0.033 121.232 121.223 -0.040 0.000 2.079 402 L HA -0.242 4.102 4.340 0.007 0.000 0.210 402 L C 2.492 179.330 176.870 -0.052 0.000 1.081 402 L CA 1.784 56.588 54.840 -0.059 0.000 0.752 402 L CB -0.619 41.382 42.059 -0.097 0.000 0.896 402 L HN 0.163 nan 8.230 nan 0.000 0.433 403 K N -0.709 119.688 120.400 -0.006 0.000 2.057 403 K HA -0.146 4.179 4.320 0.007 0.000 0.206 403 K C 1.770 178.448 176.600 0.129 0.000 1.050 403 K CA 1.348 57.685 56.287 0.083 0.000 0.935 403 K CB 0.029 32.596 32.500 0.112 0.000 0.715 403 K HN 0.363 nan 8.250 nan 0.000 0.439 404 E N 0.430 120.685 120.200 0.093 0.000 2.338 404 E HA -0.164 4.190 4.350 0.007 0.000 0.197 404 E C 1.867 178.570 176.600 0.171 0.000 1.007 404 E CA 0.812 57.297 56.400 0.140 0.000 0.849 404 E CB 0.069 29.827 29.700 0.097 0.000 0.774 404 E HN 0.417 nan 8.360 nan 0.000 0.506 405 L N -0.321 120.948 121.223 0.078 0.000 2.349 405 L HA 0.083 4.427 4.340 0.007 0.000 0.200 405 L C 2.484 179.359 176.870 0.009 0.000 1.064 405 L CA 0.106 54.970 54.840 0.041 0.000 0.821 405 L CB -0.247 41.811 42.059 -0.001 0.000 1.027 405 L HN 0.015 nan 8.230 nan 0.000 0.476 406 L N -0.651 120.509 121.223 -0.106 0.000 1.989 406 L HA -0.217 4.128 4.340 0.007 0.000 0.211 406 L C 2.314 179.032 176.870 -0.253 0.000 1.071 406 L CA 1.908 56.587 54.840 -0.267 0.000 0.749 406 L CB -0.347 41.348 42.059 -0.605 0.000 0.890 406 L HN 0.120 nan 8.230 nan 0.000 0.431 407 F N -2.121 117.862 119.950 0.055 0.000 2.202 407 F HA 0.023 4.554 4.527 0.007 0.000 0.279 407 F C 1.599 177.478 175.800 0.132 0.000 1.077 407 F CA -0.210 57.819 58.000 0.049 0.000 1.193 407 F CB -0.785 38.188 39.000 -0.045 0.000 1.090 407 F HN -0.047 nan 8.300 nan 0.000 0.516 408 H N 0.492 119.722 119.070 0.266 0.000 2.983 408 H HA 0.018 4.578 4.556 0.007 0.000 0.361 408 H C 0.357 175.820 175.328 0.224 0.000 1.145 408 H CA 0.602 56.765 56.048 0.192 0.000 1.404 408 H CB -0.087 29.765 29.762 0.150 0.000 1.356 408 H HN 0.233 nan 8.280 nan 0.000 0.612 409 H N 0.263 118.838 119.070 -0.826 0.000 3.770 409 H HA -0.213 4.348 4.556 0.007 0.000 0.267 409 H C -0.319 174.927 175.328 -0.136 0.000 0.747 409 H CA 1.051 56.794 56.048 -0.509 0.000 0.948 409 H CB -0.117 29.413 29.762 -0.387 0.000 1.026 409 H HN 0.817 nan 8.280 nan 0.000 0.629 410 E N -0.767 119.662 120.200 0.382 0.000 2.664 410 E HA 0.184 4.538 4.350 0.007 0.000 0.245 410 E C 0.820 177.631 176.600 0.352 0.000 1.016 410 E CA 0.092 56.670 56.400 0.298 0.000 0.963 410 E CB -0.100 29.714 29.700 0.189 0.000 1.360 410 E HN 0.516 nan 8.360 nan 0.000 0.472 411 W N 0.920 122.277 121.300 0.095 0.000 2.381 411 W HA -0.386 4.278 4.660 0.007 0.000 0.352 411 W C 1.477 178.019 176.519 0.038 0.000 1.516 411 W CA 2.718 60.094 57.345 0.051 0.000 1.384 411 W CB -1.523 27.952 29.460 0.025 0.000 1.004 411 W HN 0.246 nan 8.180 nan 0.000 0.487 412 V N 0.550 120.359 119.914 -0.174 0.000 2.343 412 V HA -0.305 3.819 4.120 0.007 0.000 0.247 412 V C 2.270 178.309 176.094 -0.092 0.000 1.051 412 V CA 2.391 64.505 62.300 -0.310 0.000 1.036 412 V CB -1.507 29.966 31.823 -0.583 0.000 0.654 412 V HN 0.301 nan 8.190 nan 0.000 0.451 413 V N 0.019 119.831 119.914 -0.170 0.000 2.427 413 V HA -0.257 3.867 4.120 0.007 0.000 0.248 413 V C 2.367 178.436 176.094 -0.042 0.000 1.051 413 V CA 2.215 64.400 62.300 -0.193 0.000 1.048 413 V CB -0.758 30.772 31.823 -0.488 0.000 0.666 413 V HN 0.561 nan 8.190 nan 0.000 0.456 414 K N 0.192 120.622 120.400 0.049 0.000 2.007 414 K HA -0.206 4.118 4.320 0.007 0.000 0.206 414 K C 2.352 179.014 176.600 0.104 0.000 1.047 414 K CA 1.440 57.784 56.287 0.096 0.000 0.937 414 K CB -0.228 32.363 32.500 0.153 0.000 0.718 414 K HN 0.363 nan 8.250 nan 0.000 0.438 415 E N 1.022 121.324 120.200 0.170 0.000 2.114 415 E HA -0.205 4.149 4.350 0.007 0.000 0.199 415 E C 1.856 178.521 176.600 0.108 0.000 1.008 415 E CA 1.985 58.499 56.400 0.191 0.000 0.810 415 E CB -0.148 29.759 29.700 0.344 0.000 0.739 415 E HN 0.454 nan 8.360 nan 0.000 0.456 416 S N -0.884 114.850 115.700 0.058 0.000 2.428 416 S HA -0.025 4.449 4.470 0.007 0.000 0.230 416 S C 2.189 176.788 174.600 -0.001 0.000 1.014 416 S CA 1.051 59.247 58.200 -0.008 0.000 0.957 416 S CB -0.543 62.629 63.200 -0.048 0.000 0.784 416 S HN 0.304 nan 8.310 nan 0.000 0.499 417 G N 2.184 110.989 108.800 0.008 0.000 2.422 417 G HA2 -0.075 3.889 3.960 0.007 0.000 0.218 417 G HA3 -0.075 3.889 3.960 0.007 0.000 0.218 417 G C 1.409 176.316 174.900 0.012 0.000 1.140 417 G CA 0.808 45.905 45.100 -0.004 0.000 0.775 417 G HN 0.697 nan 8.290 nan 0.000 0.545 418 I N -0.850 119.746 120.570 0.044 0.000 2.406 418 I HA 0.103 4.277 4.170 0.007 0.000 0.249 418 I C 2.345 178.550 176.117 0.145 0.000 1.122 418 I CA 0.627 61.974 61.300 0.078 0.000 1.431 418 I CB -0.027 38.022 38.000 0.082 0.000 1.087 418 I HN 0.103 nan 8.210 nan 0.000 0.424 419 L N 0.959 122.260 121.223 0.130 0.000 2.042 419 L HA -0.127 4.217 4.340 0.007 0.000 0.210 419 L C 2.365 179.331 176.870 0.160 0.000 1.076 419 L CA 1.912 56.846 54.840 0.158 0.000 0.749 419 L CB -0.721 41.338 42.059 -0.000 0.000 0.893 419 L HN 0.166 nan 8.230 nan 0.000 0.432 420 V N -0.356 119.602 119.914 0.073 0.000 2.332 420 V HA -0.287 3.837 4.120 0.007 0.000 0.248 420 V C 2.526 178.672 176.094 0.086 0.000 1.055 420 V CA 1.809 64.141 62.300 0.054 0.000 1.038 420 V CB -0.747 31.080 31.823 0.006 0.000 0.651 420 V HN 0.538 nan 8.190 nan 0.000 0.450 421 L N 1.187 122.468 121.223 0.096 0.000 2.093 421 L HA -0.002 4.342 4.340 0.007 0.000 0.208 421 L C 2.276 179.261 176.870 0.190 0.000 1.085 421 L CA 2.376 57.284 54.840 0.112 0.000 0.755 421 L CB -1.239 40.861 42.059 0.070 0.000 0.904 421 L HN 0.263 nan 8.230 nan 0.000 0.435 422 G N -1.414 107.506 108.800 0.201 0.000 2.403 422 G HA2 -0.118 3.846 3.960 0.007 0.000 0.216 422 G HA3 -0.118 3.846 3.960 0.007 0.000 0.216 422 G C 1.588 176.556 174.900 0.113 0.000 1.154 422 G CA 0.643 45.754 45.100 0.018 0.000 0.784 422 G HN 0.600 nan 8.290 nan 0.000 0.538 423 A N 1.117 124.119 122.820 0.303 0.000 1.865 423 A HA -0.001 4.323 4.320 0.007 0.000 0.217 423 A C 2.353 179.998 177.584 0.103 0.000 1.191 423 A CA 1.334 53.510 52.037 0.233 0.000 0.623 423 A CB -0.550 18.538 19.000 0.147 0.000 0.826 423 A HN 0.323 nan 8.150 nan 0.000 0.444 424 I N -0.175 120.438 120.570 0.072 0.000 2.300 424 I HA -0.380 3.794 4.170 0.007 0.000 0.252 424 I C 2.911 179.030 176.117 0.004 0.000 1.119 424 I CA 0.929 62.254 61.300 0.042 0.000 1.384 424 I CB -0.286 37.740 38.000 0.044 0.000 1.062 424 I HN 0.431 nan 8.210 nan 0.000 0.426 425 A N 0.323 123.105 122.820 -0.064 0.000 1.869 425 A HA -0.351 3.973 4.320 0.007 0.000 0.218 425 A C 2.301 179.756 177.584 -0.215 0.000 1.203 425 A CA 2.404 54.284 52.037 -0.261 0.000 0.638 425 A CB -0.872 17.693 19.000 -0.725 0.000 0.831 425 A HN 0.541 nan 8.150 nan 0.000 0.450 426 E N -0.850 119.246 120.200 -0.174 0.000 2.023 426 E HA -0.125 4.229 4.350 0.007 0.000 0.196 426 E C 2.146 178.711 176.600 -0.058 0.000 1.003 426 E CA 1.222 57.552 56.400 -0.118 0.000 0.809 426 E CB -0.519 29.135 29.700 -0.077 0.000 0.755 426 E HN 0.509 nan 8.360 nan 0.000 0.449 427 G N 0.976 109.762 108.800 -0.024 0.000 2.604 427 G HA2 -0.291 3.673 3.960 0.007 0.000 0.216 427 G HA3 -0.291 3.673 3.960 0.007 0.000 0.216 427 G C 1.187 176.094 174.900 0.012 0.000 1.265 427 G CA 1.165 46.268 45.100 0.004 0.000 0.804 427 G HN 0.534 nan 8.290 nan 0.000 0.579 428 C N 0.073 119.386 119.300 0.022 0.000 2.874 428 C HA 0.692 5.157 4.460 0.007 0.000 0.523 428 C C 1.655 176.665 174.990 0.033 0.000 1.234 428 C CA -0.821 58.215 59.018 0.030 0.000 1.485 428 C CB -1.071 26.691 27.740 0.035 0.000 1.916 428 C HN 0.364 nan 8.230 nan 0.000 0.630 429 M N 2.171 121.785 119.600 0.022 0.000 2.074 429 M HA -0.067 4.417 4.480 0.007 0.000 0.258 429 M C 2.439 178.768 176.300 0.048 0.000 1.083 429 M CA 1.922 57.248 55.300 0.044 0.000 1.128 429 M CB -0.687 31.917 32.600 0.007 0.000 1.301 429 M HN 0.583 nan 8.290 nan 0.000 0.417 430 Q N -0.520 119.302 119.800 0.036 0.000 2.133 430 Q HA -0.169 4.175 4.340 0.007 0.000 0.208 430 Q C 1.875 177.897 176.000 0.038 0.000 0.991 430 Q CA 1.571 57.396 55.803 0.037 0.000 0.867 430 Q CB -0.881 27.878 28.738 0.035 0.000 0.911 430 Q HN 0.785 nan 8.270 nan 0.000 0.417 431 G N -0.225 108.602 108.800 0.044 0.000 2.559 431 G HA2 -0.150 3.814 3.960 0.007 0.000 0.216 431 G HA3 -0.150 3.814 3.960 0.007 0.000 0.216 431 G C 1.201 176.161 174.900 0.100 0.000 1.126 431 G CA 0.325 45.462 45.100 0.062 0.000 0.778 431 G HN 0.193 nan 8.290 nan 0.000 0.543 432 M N -0.355 119.282 119.600 0.062 0.000 2.337 432 M HA 0.312 4.797 4.480 0.007 0.000 0.256 432 M C 2.051 178.333 176.300 -0.030 0.000 1.075 432 M CA -0.027 55.311 55.300 0.063 0.000 1.024 432 M CB 0.206 32.799 32.600 -0.012 0.000 1.429 432 M HN 0.174 nan 8.290 nan 0.000 0.497 433 I N 1.537 122.034 120.570 -0.121 0.000 2.091 433 I HA -0.259 3.915 4.170 0.007 0.000 0.239 433 I C -0.611 175.317 176.117 -0.313 0.000 1.061 433 I CA 1.894 62.983 61.300 -0.351 0.000 1.317 433 I CB -1.974 35.907 38.000 -0.198 0.000 1.031 433 I HN 0.122 nan 8.210 nan 0.000 0.401 434 P HA -0.224 nan 4.420 nan 0.000 0.219 434 P C 1.077 178.163 177.300 -0.357 0.000 1.151 434 P CA 1.828 64.772 63.100 -0.259 0.000 0.850 434 P CB -0.183 31.305 31.700 -0.354 0.000 0.784 435 Y N -2.398 117.770 120.300 -0.219 0.000 2.482 435 Y HA 0.125 4.679 4.550 0.007 0.000 0.270 435 Y C 2.129 177.858 175.900 -0.286 0.000 1.152 435 Y CA 0.083 58.067 58.100 -0.194 0.000 1.292 435 Y CB -0.636 37.728 38.460 -0.161 0.000 1.070 435 Y HN -0.107 nan 8.280 nan 0.000 0.528 436 L N 0.270 121.258 121.223 -0.393 0.000 2.044 436 L HA -0.067 4.277 4.340 0.007 0.000 0.205 436 L C -0.483 176.157 176.870 -0.383 0.000 1.075 436 L CA 0.765 55.205 54.840 -0.668 0.000 0.747 436 L CB -1.563 39.574 42.059 -1.537 0.000 0.903 436 L HN 0.066 nan 8.230 nan 0.000 0.435 437 P HA -0.209 nan 4.420 nan 0.000 0.221 437 P C 1.306 178.727 177.300 0.201 0.000 1.141 437 P CA 1.396 64.634 63.100 0.230 0.000 0.794 437 P CB 0.071 31.931 31.700 0.267 0.000 0.764 438 E N -1.348 118.907 120.200 0.092 0.000 2.340 438 E HA 0.077 4.431 4.350 0.007 0.000 0.198 438 E C 1.753 178.460 176.600 0.177 0.000 0.961 438 E CA 0.308 56.789 56.400 0.135 0.000 0.905 438 E CB -0.044 29.720 29.700 0.107 0.000 0.884 438 E HN 0.230 nan 8.360 nan 0.000 0.491 439 L N 0.245 121.521 121.223 0.090 0.000 2.168 439 L HA 0.055 4.399 4.340 0.007 0.000 0.203 439 L C 2.441 179.357 176.870 0.076 0.000 1.078 439 L CA 0.346 55.238 54.840 0.086 0.000 0.780 439 L CB -0.096 41.925 42.059 -0.064 0.000 0.939 439 L HN 0.063 nan 8.230 nan 0.000 0.451 440 I N 0.199 120.765 120.570 -0.007 0.000 2.226 440 I HA -0.189 3.985 4.170 0.007 0.000 0.245 440 I C -0.478 175.732 176.117 0.155 0.000 1.100 440 I CA 1.416 62.735 61.300 0.032 0.000 1.374 440 I CB -0.982 37.003 38.000 -0.025 0.000 1.057 440 I HN 0.172 nan 8.210 nan 0.000 0.413 441 P HA -0.231 nan 4.420 nan 0.000 0.215 441 P C 1.584 179.006 177.300 0.203 0.000 1.153 441 P CA 1.561 64.804 63.100 0.239 0.000 0.853 441 P CB -0.286 31.569 31.700 0.259 0.000 0.788 442 H N -0.176 118.983 119.070 0.148 0.000 2.387 442 H HA -0.060 4.500 4.556 0.007 0.000 0.299 442 H C 1.806 177.194 175.328 0.100 0.000 1.090 442 H CA 1.128 57.272 56.048 0.160 0.000 1.332 442 H CB -0.427 29.485 29.762 0.249 0.000 1.386 442 H HN 0.064 nan 8.280 nan 0.000 0.516 443 L N 0.479 121.664 121.223 -0.063 0.000 2.027 443 L HA -0.176 4.168 4.340 0.007 0.000 0.206 443 L C 2.831 179.669 176.870 -0.053 0.000 1.074 443 L CA 0.922 55.696 54.840 -0.110 0.000 0.745 443 L CB -0.337 41.711 42.059 -0.018 0.000 0.898 443 L HN 0.271 nan 8.230 nan 0.000 0.433 444 I N -0.546 120.038 120.570 0.023 0.000 2.315 444 I HA -0.325 3.849 4.170 0.007 0.000 0.251 444 I C 2.647 178.775 176.117 0.018 0.000 1.125 444 I CA 1.018 62.345 61.300 0.045 0.000 1.392 444 I CB -0.356 37.698 38.000 0.090 0.000 1.065 444 I HN 0.423 nan 8.210 nan 0.000 0.424 445 Q N 0.077 119.875 119.800 -0.004 0.000 2.079 445 Q HA -0.144 4.200 4.340 0.007 0.000 0.200 445 Q C 2.481 178.454 176.000 -0.045 0.000 0.974 445 Q CA 1.529 57.326 55.803 -0.009 0.000 0.840 445 Q CB -0.641 28.109 28.738 0.021 0.000 0.898 445 Q HN 0.567 nan 8.270 nan 0.000 0.430 446 C N 0.618 119.847 119.300 -0.118 0.000 2.432 446 C HA -0.021 4.443 4.460 0.007 0.000 0.282 446 C C 2.638 177.604 174.990 -0.039 0.000 1.388 446 C CA 0.005 58.964 59.018 -0.098 0.000 1.777 446 C CB -1.229 26.418 27.740 -0.154 0.000 1.882 446 C HN 0.435 nan 8.230 nan 0.000 0.520 447 L N 1.621 122.832 121.223 -0.020 0.000 2.450 447 L HA -0.139 4.205 4.340 0.007 0.000 0.225 447 L C 1.806 178.675 176.870 -0.000 0.000 1.145 447 L CA 1.656 56.500 54.840 0.006 0.000 0.801 447 L CB -0.435 41.639 42.059 0.025 0.000 0.924 447 L HN 0.557 nan 8.230 nan 0.000 0.447 448 S N -3.573 112.121 115.700 -0.010 0.000 2.941 448 S HA 0.118 4.592 4.470 0.007 0.000 0.251 448 S C 0.139 174.726 174.600 -0.023 0.000 1.029 448 S CA -0.801 57.390 58.200 -0.014 0.000 1.062 448 S CB -0.045 63.152 63.200 -0.006 0.000 0.977 448 S HN 0.192 nan 8.310 nan 0.000 0.552 449 D N 2.868 123.250 120.400 -0.031 0.000 2.423 449 D HA 0.013 4.657 4.640 0.007 0.000 0.238 449 D C 1.115 177.375 176.300 -0.068 0.000 1.142 449 D CA 0.244 54.219 54.000 -0.041 0.000 0.884 449 D CB 1.020 41.794 40.800 -0.044 0.000 1.199 449 D HN 0.538 nan 8.370 nan 0.000 0.438 450 K N 1.833 122.188 120.400 -0.075 0.000 2.439 450 K HA -0.012 4.313 4.320 0.007 0.000 0.197 450 K C 0.324 176.826 176.600 -0.164 0.000 1.041 450 K CA 0.655 56.884 56.287 -0.096 0.000 0.970 450 K CB 0.292 32.746 32.500 -0.075 0.000 0.773 450 K HN 0.038 nan 8.250 nan 0.000 0.479 451 K N 1.093 121.359 120.400 -0.224 0.000 2.240 451 K HA 0.256 4.580 4.320 0.007 0.000 0.271 451 K C 0.555 176.981 176.600 -0.289 0.000 1.018 451 K CA 0.092 56.145 56.287 -0.389 0.000 0.874 451 K CB 1.671 33.764 32.500 -0.678 0.000 1.098 451 K HN 0.109 nan 8.250 nan 0.000 0.458 452 A N 3.675 126.341 122.820 -0.258 0.000 1.865 452 A HA -0.186 4.138 4.320 0.007 0.000 0.217 452 A C 1.727 179.250 177.584 -0.103 0.000 1.191 452 A CA 1.458 53.407 52.037 -0.147 0.000 0.623 452 A CB -0.329 18.598 19.000 -0.122 0.000 0.826 452 A HN 0.552 nan 8.150 nan 0.000 0.444 453 L N -0.204 120.943 121.223 -0.126 0.000 2.349 453 L HA -0.123 4.221 4.340 0.007 0.000 0.220 453 L C 2.347 179.266 176.870 0.081 0.000 1.130 453 L CA 1.192 56.049 54.840 0.029 0.000 0.791 453 L CB -0.637 41.506 42.059 0.141 0.000 0.918 453 L HN 0.255 nan 8.230 nan 0.000 0.444 454 V N -1.764 118.140 119.914 -0.016 0.000 2.649 454 V HA -0.129 3.995 4.120 0.007 0.000 0.248 454 V C 2.561 178.671 176.094 0.027 0.000 1.054 454 V CA 0.912 63.233 62.300 0.037 0.000 1.073 454 V CB -0.526 31.297 31.823 0.000 0.000 0.699 454 V HN 0.323 nan 8.190 nan 0.000 0.463 455 R N 0.308 120.803 120.500 -0.008 0.000 2.080 455 R HA -0.148 4.196 4.340 0.007 0.000 0.236 455 R C 2.728 179.058 176.300 0.050 0.000 1.137 455 R CA 1.885 57.991 56.100 0.009 0.000 0.943 455 R CB -0.503 29.789 30.300 -0.013 0.000 0.846 455 R HN 0.443 nan 8.270 nan 0.000 0.431 456 S N 0.889 116.622 115.700 0.055 0.000 2.369 456 S HA -0.193 4.281 4.470 0.007 0.000 0.225 456 S C 1.893 176.577 174.600 0.140 0.000 1.043 456 S CA 1.996 60.247 58.200 0.085 0.000 1.074 456 S CB -0.312 62.929 63.200 0.070 0.000 0.962 456 S HN 0.297 nan 8.310 nan 0.000 0.433 457 I N 0.879 121.538 120.570 0.150 0.000 2.614 457 I HA -0.030 4.144 4.170 0.007 0.000 0.258 457 I C 2.076 178.347 176.117 0.255 0.000 1.189 457 I CA 0.941 62.377 61.300 0.228 0.000 1.462 457 I CB -1.501 36.610 38.000 0.185 0.000 1.092 457 I HN 0.077 nan 8.210 nan 0.000 0.442 458 T N 0.354 115.003 114.554 0.158 0.000 2.708 458 T HA -0.170 4.184 4.350 0.007 0.000 0.266 458 T C 2.082 176.860 174.700 0.130 0.000 1.037 458 T CA 1.913 64.083 62.100 0.116 0.000 1.146 458 T CB -0.713 68.188 68.868 0.055 0.000 0.865 458 T HN 0.485 nan 8.240 nan 0.000 0.435 459 C N 0.110 119.496 119.300 0.143 0.000 2.393 459 C HA -0.119 4.345 4.460 0.007 0.000 0.276 459 C C 2.397 177.492 174.990 0.174 0.000 1.215 459 C CA 0.160 59.267 59.018 0.149 0.000 1.743 459 C CB -1.411 26.420 27.740 0.152 0.000 2.044 459 C HN 0.788 nan 8.230 nan 0.000 0.464 460 W N 1.626 122.958 121.300 0.055 0.000 2.353 460 W HA -0.171 4.493 4.660 0.006 0.000 0.319 460 W C 2.508 179.059 176.519 0.052 0.000 1.207 460 W CA 2.440 59.812 57.345 0.046 0.000 1.291 460 W CB -0.887 28.593 29.460 0.034 0.000 1.159 460 W HN 0.209 nan 8.180 nan 0.000 0.478 461 T N 1.796 116.393 114.554 0.071 0.000 2.699 461 T HA -0.272 4.082 4.350 0.007 0.000 0.268 461 T C 1.902 176.563 174.700 -0.066 0.000 1.036 461 T CA 2.001 64.023 62.100 -0.129 0.000 1.147 461 T CB -0.673 68.282 68.868 0.147 0.000 0.862 461 T HN 0.160 nan 8.240 nan 0.000 0.446 462 L N 1.388 122.625 121.223 0.023 0.000 2.017 462 L HA -0.139 4.205 4.340 0.007 0.000 0.208 462 L C 2.897 179.773 176.870 0.010 0.000 1.073 462 L CA 1.596 56.478 54.840 0.070 0.000 0.745 462 L CB -0.689 41.413 42.059 0.072 0.000 0.894 462 L HN 0.383 nan 8.230 nan 0.000 0.432 463 S N -0.531 115.114 115.700 -0.092 0.000 2.440 463 S HA -0.162 4.312 4.470 0.007 0.000 0.238 463 S C 1.946 176.397 174.600 -0.248 0.000 1.010 463 S CA 0.659 58.778 58.200 -0.135 0.000 0.972 463 S CB -0.377 62.750 63.200 -0.121 0.000 0.774 463 S HN 0.345 nan 8.310 nan 0.000 0.501 464 R N -0.282 119.950 120.500 -0.446 0.000 2.307 464 R HA 0.130 4.474 4.340 0.007 0.000 0.199 464 R C 0.319 176.241 176.300 -0.631 0.000 1.000 464 R CA 0.684 56.408 56.100 -0.628 0.000 1.023 464 R CB -0.396 29.333 30.300 -0.952 0.000 0.908 464 R HN 0.667 nan 8.270 nan 0.000 0.473 465 Y N -1.464 118.764 120.300 -0.120 0.000 2.588 465 Y HA 0.283 4.837 4.550 0.007 0.000 0.247 465 Y C 1.847 177.786 175.900 0.064 0.000 1.157 465 Y CA -0.040 58.050 58.100 -0.016 0.000 1.215 465 Y CB 0.353 38.793 38.460 -0.033 0.000 1.245 465 Y HN -0.048 nan 8.280 nan 0.000 0.534 466 A N 0.292 123.178 122.820 0.110 0.000 1.940 466 A HA -0.329 3.995 4.320 0.007 0.000 0.221 466 A C 2.059 179.700 177.584 0.095 0.000 1.190 466 A CA 2.436 54.516 52.037 0.072 0.000 0.647 466 A CB -0.886 18.115 19.000 0.001 0.000 0.821 466 A HN 0.634 nan 8.150 nan 0.000 0.457 467 H N -2.850 116.253 119.070 0.054 0.000 2.421 467 H HA -0.186 4.374 4.556 0.007 0.000 0.298 467 H C 1.950 177.346 175.328 0.113 0.000 1.087 467 H CA 2.010 58.092 56.048 0.056 0.000 1.330 467 H CB -0.223 29.565 29.762 0.043 0.000 1.388 467 H HN 0.757 nan 8.280 nan 0.000 0.526 468 W N 1.064 122.412 121.300 0.079 0.000 2.444 468 W HA -0.115 4.549 4.660 0.007 0.000 0.308 468 W C 2.446 178.927 176.519 -0.065 0.000 1.183 468 W CA 1.436 58.790 57.345 0.016 0.000 1.340 468 W CB -0.668 28.818 29.460 0.042 0.000 1.138 468 W HN -0.101 nan 8.180 nan 0.000 0.510 469 V N 0.548 120.492 119.914 0.051 0.000 2.317 469 V HA -0.372 3.752 4.120 0.007 0.000 0.251 469 V C 1.992 177.974 176.094 -0.186 0.000 1.065 469 V CA 2.096 64.325 62.300 -0.118 0.000 1.049 469 V CB -1.273 30.582 31.823 0.054 0.000 0.651 469 V HN 0.146 nan 8.190 nan 0.000 0.450 470 V N 0.340 120.150 119.914 -0.174 0.000 2.871 470 V HA -0.100 4.025 4.120 0.007 0.000 0.256 470 V C 2.354 178.295 176.094 -0.254 0.000 1.082 470 V CA 1.701 63.887 62.300 -0.190 0.000 1.105 470 V CB -0.031 31.686 31.823 -0.178 0.000 0.713 470 V HN 0.770 nan 8.190 nan 0.000 0.473 471 S N -1.187 114.303 115.700 -0.351 0.000 2.593 471 S HA 0.087 4.561 4.470 0.007 0.000 0.217 471 S C 0.825 175.225 174.600 -0.334 0.000 0.966 471 S CA -0.111 57.889 58.200 -0.332 0.000 0.914 471 S CB -0.004 63.005 63.200 -0.318 0.000 0.776 471 S HN 0.514 nan 8.310 nan 0.000 0.523 472 Q N 1.984 121.549 119.800 -0.391 0.000 2.215 472 Q HA 0.490 4.835 4.340 0.007 0.000 0.256 472 Q C -2.833 173.072 176.000 -0.159 0.000 0.972 472 Q CA -2.807 52.812 55.803 -0.305 0.000 0.889 472 Q CB 0.178 28.690 28.738 -0.378 0.000 1.281 472 Q HN 0.131 nan 8.270 nan 0.000 0.456 473 P HA -0.048 nan 4.420 nan 0.000 0.257 473 P C -1.979 175.265 177.300 -0.094 0.000 1.162 473 P CA -0.537 62.506 63.100 -0.095 0.000 0.762 473 P CB -0.089 31.555 31.700 -0.094 0.000 0.753 474 P HA -0.195 nan 4.420 nan 0.000 0.217 474 P C 0.683 177.954 177.300 -0.049 0.000 1.148 474 P CA 1.516 64.594 63.100 -0.037 0.000 0.834 474 P CB 0.036 31.744 31.700 0.013 0.000 0.783 475 D N -2.340 118.021 120.400 -0.065 0.000 2.269 475 D HA -0.093 4.551 4.640 0.007 0.000 0.208 475 D C 1.961 178.174 176.300 -0.145 0.000 0.963 475 D CA 1.258 55.213 54.000 -0.075 0.000 0.864 475 D CB -0.928 39.836 40.800 -0.059 0.000 0.936 475 D HN 0.185 nan 8.370 nan 0.000 0.505 476 T N -1.941 112.463 114.554 -0.250 0.000 2.894 476 T HA -0.046 4.308 4.350 0.007 0.000 0.258 476 T C 1.330 175.681 174.700 -0.580 0.000 1.043 476 T CA 0.954 62.759 62.100 -0.491 0.000 1.141 476 T CB 0.010 68.440 68.868 -0.730 0.000 0.873 476 T HN 0.211 nan 8.240 nan 0.000 0.449 477 Y N -0.945 119.323 120.300 -0.053 0.000 2.736 477 Y HA 0.375 4.929 4.550 0.007 0.000 0.272 477 Y C 1.844 177.719 175.900 -0.041 0.000 1.118 477 Y CA -0.412 57.671 58.100 -0.030 0.000 1.248 477 Y CB -0.223 38.208 38.460 -0.047 0.000 1.437 477 Y HN 0.093 nan 8.280 nan 0.000 0.481 478 L N 1.870 123.137 121.223 0.074 0.000 1.955 478 L HA -0.158 4.186 4.340 0.007 0.000 0.213 478 L C 2.480 179.317 176.870 -0.054 0.000 1.072 478 L CA 2.982 57.820 54.840 -0.003 0.000 0.755 478 L CB -1.130 40.905 42.059 -0.039 0.000 0.888 478 L HN 0.187 nan 8.230 nan 0.000 0.432 479 K N 0.067 120.411 120.400 -0.094 0.000 2.034 479 K HA -0.189 4.135 4.320 0.007 0.000 0.214 479 K C 0.174 176.713 176.600 -0.101 0.000 1.051 479 K CA 2.279 58.466 56.287 -0.167 0.000 0.931 479 K CB -2.746 29.683 32.500 -0.117 0.000 0.715 479 K HN 0.555 nan 8.250 nan 0.000 0.446 480 P HA -0.041 nan 4.420 nan 0.000 0.219 480 P C 1.515 178.836 177.300 0.035 0.000 1.150 480 P CA 0.489 63.590 63.100 0.002 0.000 0.814 480 P CB 0.019 31.731 31.700 0.019 0.000 0.787 481 L N -0.585 120.669 121.223 0.052 0.000 1.994 481 L HA -0.079 4.265 4.340 0.007 0.000 0.208 481 L C 2.357 179.287 176.870 0.100 0.000 1.071 481 L CA 1.921 56.808 54.840 0.079 0.000 0.745 481 L CB -1.395 40.714 42.059 0.083 0.000 0.892 481 L HN -0.111 nan 8.230 nan 0.000 0.431 482 M N -1.564 118.083 119.600 0.079 0.000 2.202 482 M HA -0.233 4.251 4.480 0.007 0.000 0.262 482 M C 1.868 178.272 176.300 0.175 0.000 1.063 482 M CA 2.168 57.581 55.300 0.188 0.000 1.097 482 M CB -0.346 32.276 32.600 0.036 0.000 1.382 482 M HN 0.368 nan 8.290 nan 0.000 0.413 483 T N 0.715 115.318 114.554 0.082 0.000 2.698 483 T HA -0.096 4.258 4.350 0.007 0.000 0.260 483 T C 1.644 176.390 174.700 0.077 0.000 1.044 483 T CA 1.381 63.539 62.100 0.096 0.000 1.149 483 T CB -0.131 68.770 68.868 0.055 0.000 0.864 483 T HN 0.401 nan 8.240 nan 0.000 0.419 484 E N 0.905 121.145 120.200 0.067 0.000 2.072 484 E HA -0.022 4.332 4.350 0.007 0.000 0.191 484 E C 2.248 178.881 176.600 0.055 0.000 0.985 484 E CA 0.585 57.016 56.400 0.052 0.000 0.801 484 E CB -0.586 29.145 29.700 0.051 0.000 0.750 484 E HN 0.225 nan 8.360 nan 0.000 0.452 485 L N 0.953 122.234 121.223 0.098 0.000 2.012 485 L HA -0.160 4.185 4.340 0.007 0.000 0.210 485 L C 2.424 179.312 176.870 0.030 0.000 1.073 485 L CA 1.330 56.245 54.840 0.125 0.000 0.748 485 L CB -0.746 41.479 42.059 0.276 0.000 0.891 485 L HN 0.117 nan 8.230 nan 0.000 0.431 486 L N -1.089 120.108 121.223 -0.043 0.000 2.079 486 L HA -0.296 4.048 4.340 0.007 0.000 0.210 486 L C 2.511 179.301 176.870 -0.133 0.000 1.081 486 L CA 1.414 56.128 54.840 -0.210 0.000 0.752 486 L CB -0.441 41.484 42.059 -0.223 0.000 0.896 486 L HN 0.300 nan 8.230 nan 0.000 0.433 487 K N -0.780 119.582 120.400 -0.064 0.000 2.057 487 K HA -0.115 4.209 4.320 0.007 0.000 0.206 487 K C 2.223 178.801 176.600 -0.036 0.000 1.050 487 K CA 0.811 57.065 56.287 -0.055 0.000 0.935 487 K CB -0.082 32.402 32.500 -0.027 0.000 0.715 487 K HN 0.151 nan 8.250 nan 0.000 0.439 488 R N 0.992 121.486 120.500 -0.009 0.000 2.115 488 R HA -0.023 4.321 4.340 0.007 0.000 0.230 488 R C 2.223 178.541 176.300 0.031 0.000 1.111 488 R CA 0.979 57.087 56.100 0.014 0.000 0.976 488 R CB -0.595 29.727 30.300 0.036 0.000 0.870 488 R HN 0.300 nan 8.270 nan 0.000 0.445 489 I N 0.976 121.557 120.570 0.019 0.000 2.151 489 I HA -0.255 3.919 4.170 0.007 0.000 0.243 489 I C 1.338 177.532 176.117 0.129 0.000 1.080 489 I CA 1.160 62.501 61.300 0.068 0.000 1.339 489 I CB -0.193 37.775 38.000 -0.053 0.000 1.039 489 I HN 0.006 nan 8.210 nan 0.000 0.409 490 L N 0.241 121.485 121.223 0.035 0.000 2.469 490 L HA 0.295 4.639 4.340 0.007 0.000 0.253 490 L C 0.907 177.797 176.870 0.032 0.000 1.143 490 L CA 0.316 55.183 54.840 0.046 0.000 0.804 490 L CB -0.108 41.923 42.059 -0.047 0.000 1.214 490 L HN 0.432 nan 8.230 nan 0.000 0.476 491 D N 0.497 120.912 120.400 0.025 0.000 4.084 491 D HA -0.211 4.433 4.640 0.007 0.000 0.281 491 D C 0.498 176.798 176.300 -0.001 0.000 2.267 491 D CA 0.953 54.955 54.000 0.004 0.000 1.036 491 D CB -0.990 39.796 40.800 -0.024 0.000 1.016 491 D HN 1.047 nan 8.370 nan 0.000 1.178 492 S N -2.315 113.374 115.700 -0.017 0.000 3.630 492 S HA -0.049 4.425 4.470 0.007 0.000 0.634 492 S C 0.153 174.734 174.600 -0.032 0.000 2.333 492 S CA 1.085 59.269 58.200 -0.027 0.000 2.607 492 S CB -1.441 61.745 63.200 -0.024 0.000 0.329 492 S HN 2.368 nan 8.310 nan 0.000 1.712 493 N N 1.114 119.789 118.700 -0.041 0.000 2.476 493 N HA 0.645 5.389 4.740 0.007 0.000 0.276 493 N C 0.190 175.662 175.510 -0.064 0.000 1.204 493 N CA -0.826 52.196 53.050 -0.048 0.000 0.974 493 N CB 0.239 38.698 38.487 -0.047 0.000 1.204 493 N HN 0.465 nan 8.380 nan 0.000 0.543 494 K N -0.425 119.927 120.400 -0.080 0.000 2.160 494 K HA -0.152 4.172 4.320 0.007 0.000 0.206 494 K C 2.344 178.880 176.600 -0.107 0.000 1.047 494 K CA 2.338 58.551 56.287 -0.124 0.000 0.930 494 K CB -0.593 31.842 32.500 -0.109 0.000 0.720 494 K HN 0.662 nan 8.250 nan 0.000 0.450 495 R N 0.467 120.930 120.500 -0.062 0.000 2.119 495 R HA 0.049 4.393 4.340 0.007 0.000 0.222 495 R C 2.282 178.571 176.300 -0.019 0.000 1.088 495 R CA 1.523 57.601 56.100 -0.036 0.000 0.984 495 R CB -1.208 29.083 30.300 -0.015 0.000 0.884 495 R HN 0.100 nan 8.270 nan 0.000 0.447 496 V N 1.162 121.063 119.914 -0.020 0.000 2.649 496 V HA -0.207 3.917 4.120 0.007 0.000 0.248 496 V C 2.478 178.577 176.094 0.010 0.000 1.054 496 V CA 1.514 63.816 62.300 0.004 0.000 1.073 496 V CB -0.367 31.456 31.823 -0.001 0.000 0.699 496 V HN 0.592 nan 8.190 nan 0.000 0.463 497 Q N 0.210 119.993 119.800 -0.027 0.000 1.985 497 Q HA -0.287 4.057 4.340 0.007 0.000 0.207 497 Q C 2.393 178.386 176.000 -0.011 0.000 0.996 497 Q CA 2.163 57.949 55.803 -0.028 0.000 0.851 497 Q CB -0.327 28.287 28.738 -0.206 0.000 0.921 497 Q HN 0.641 nan 8.270 nan 0.000 0.418 498 E N 0.186 120.339 120.200 -0.078 0.000 2.065 498 E HA -0.281 4.073 4.350 0.007 0.000 0.201 498 E C 1.947 178.580 176.600 0.055 0.000 1.016 498 E CA 1.368 57.750 56.400 -0.030 0.000 0.818 498 E CB -0.113 29.559 29.700 -0.047 0.000 0.749 498 E HN 0.372 nan 8.360 nan 0.000 0.453 499 A N 0.857 123.716 122.820 0.066 0.000 1.902 499 A HA -0.089 4.235 4.320 0.007 0.000 0.217 499 A C 2.324 179.995 177.584 0.145 0.000 1.181 499 A CA 1.986 54.095 52.037 0.120 0.000 0.623 499 A CB -0.579 18.494 19.000 0.121 0.000 0.818 499 A HN 0.394 nan 8.150 nan 0.000 0.443 500 A N -1.386 121.509 122.820 0.125 0.000 1.872 500 A HA -0.146 4.179 4.320 0.007 0.000 0.214 500 A C 2.380 180.073 177.584 0.183 0.000 1.187 500 A CA 1.505 53.628 52.037 0.143 0.000 0.614 500 A CB -1.342 17.722 19.000 0.107 0.000 0.826 500 A HN 0.692 nan 8.150 nan 0.000 0.442 501 C N -0.951 118.455 119.300 0.177 0.000 2.429 501 C HA -0.041 4.423 4.460 0.007 0.000 0.277 501 C C 3.181 178.301 174.990 0.217 0.000 1.262 501 C CA 1.642 60.785 59.018 0.207 0.000 1.733 501 C CB -0.977 26.918 27.740 0.257 0.000 2.010 501 C HN 0.601 nan 8.230 nan 0.000 0.483 502 S N -0.064 115.743 115.700 0.178 0.000 2.383 502 S HA -0.041 4.433 4.470 0.007 0.000 0.227 502 S C 2.078 176.775 174.600 0.161 0.000 1.026 502 S CA 1.579 59.876 58.200 0.162 0.000 0.981 502 S CB -0.365 62.923 63.200 0.146 0.000 0.818 502 S HN 0.751 nan 8.310 nan 0.000 0.472 503 A N 0.347 123.271 122.820 0.174 0.000 1.898 503 A HA 0.019 4.343 4.320 0.007 0.000 0.216 503 A C 1.941 179.608 177.584 0.138 0.000 1.181 503 A CA 1.410 53.531 52.037 0.140 0.000 0.620 503 A CB -1.043 18.043 19.000 0.144 0.000 0.819 503 A HN 0.638 nan 8.150 nan 0.000 0.442 504 F N 0.882 120.865 119.950 0.056 0.000 2.171 504 F HA -0.076 4.455 4.527 0.007 0.000 0.300 504 F C 2.522 178.346 175.800 0.039 0.000 1.090 504 F CA 1.013 59.038 58.000 0.043 0.000 1.293 504 F CB -0.237 38.788 39.000 0.043 0.000 1.013 504 F HN 0.256 nan 8.300 nan 0.000 0.486 505 A N -0.731 122.192 122.820 0.173 0.000 1.933 505 A HA -0.191 4.133 4.320 0.007 0.000 0.218 505 A C 2.188 179.765 177.584 -0.012 0.000 1.175 505 A CA 2.268 54.356 52.037 0.084 0.000 0.628 505 A CB -1.374 17.698 19.000 0.120 0.000 0.814 505 A HN 0.404 nan 8.150 nan 0.000 0.444 506 T N -0.010 114.539 114.554 -0.007 0.000 2.746 506 T HA -0.118 4.236 4.350 0.007 0.000 0.267 506 T C 1.805 176.451 174.700 -0.089 0.000 1.039 506 T CA 1.442 63.522 62.100 -0.033 0.000 1.142 506 T CB -0.331 68.524 68.868 -0.021 0.000 0.866 506 T HN 0.266 nan 8.240 nan 0.000 0.444 507 L N 1.382 122.506 121.223 -0.166 0.000 1.994 507 L HA -0.078 4.267 4.340 0.007 0.000 0.208 507 L C 2.410 179.110 176.870 -0.283 0.000 1.071 507 L CA 1.813 56.500 54.840 -0.256 0.000 0.745 507 L CB -0.684 41.128 42.059 -0.412 0.000 0.892 507 L HN 0.271 nan 8.230 nan 0.000 0.431 508 E N -0.822 119.158 120.200 -0.365 0.000 2.097 508 E HA -0.330 4.025 4.350 0.007 0.000 0.196 508 E C 2.078 178.606 176.600 -0.120 0.000 1.000 508 E CA 1.646 57.901 56.400 -0.240 0.000 0.804 508 E CB -0.173 29.438 29.700 -0.149 0.000 0.740 508 E HN 0.620 nan 8.360 nan 0.000 0.454 509 E N 0.565 120.712 120.200 -0.087 0.000 2.106 509 E HA -0.230 4.124 4.350 0.007 0.000 0.192 509 E C 1.859 178.436 176.600 -0.039 0.000 0.984 509 E CA 1.117 57.491 56.400 -0.043 0.000 0.806 509 E CB 0.151 29.837 29.700 -0.024 0.000 0.750 509 E HN 0.063 nan 8.360 nan 0.000 0.458 510 E N -0.500 119.669 120.200 -0.052 0.000 2.190 510 E HA 0.062 4.416 4.350 0.007 0.000 0.191 510 E C 1.543 178.096 176.600 -0.077 0.000 0.978 510 E CA 0.891 57.268 56.400 -0.039 0.000 0.839 510 E CB 0.100 29.785 29.700 -0.025 0.000 0.787 510 E HN 0.331 nan 8.360 nan 0.000 0.473 511 A N -0.334 122.426 122.820 -0.100 0.000 1.930 511 A HA 0.010 4.334 4.320 0.007 0.000 0.215 511 A C 1.654 179.191 177.584 -0.079 0.000 1.176 511 A CA 0.839 52.816 52.037 -0.101 0.000 0.632 511 A CB -0.609 18.317 19.000 -0.123 0.000 0.819 511 A HN 0.428 nan 8.150 nan 0.000 0.445 512 C N -2.444 116.814 119.300 -0.071 0.000 0.187 512 C HA -0.284 4.180 4.460 0.007 0.000 0.018 512 C C 2.314 177.260 174.990 -0.073 0.000 0.174 512 C CA 1.568 60.552 59.018 -0.057 0.000 0.500 512 C CB -1.759 25.955 27.740 -0.044 0.000 3.212 512 C HN 0.600 nan 8.230 nan 0.000 1.118 513 T N 0.055 114.553 114.554 -0.093 0.000 3.051 513 T HA -0.107 4.247 4.350 0.007 0.000 0.269 513 T C 1.178 175.795 174.700 -0.138 0.000 1.127 513 T CA 2.014 64.012 62.100 -0.171 0.000 1.107 513 T CB -0.429 68.329 68.868 -0.183 0.000 0.898 513 T HN 0.599 nan 8.240 nan 0.000 0.517 514 E N 0.081 120.237 120.200 -0.074 0.000 2.409 514 E HA 0.084 4.438 4.350 0.007 0.000 0.198 514 E C 1.492 178.122 176.600 0.051 0.000 1.024 514 E CA 0.535 56.919 56.400 -0.027 0.000 0.861 514 E CB -0.044 29.640 29.700 -0.027 0.000 0.788 514 E HN 0.505 nan 8.360 nan 0.000 0.521 515 L N -0.906 120.339 121.223 0.037 0.000 2.607 515 L HA 0.049 4.393 4.340 0.007 0.000 0.228 515 L C 1.681 178.607 176.870 0.092 0.000 1.123 515 L CA -0.184 54.749 54.840 0.156 0.000 0.890 515 L CB 0.305 42.416 42.059 0.087 0.000 1.103 515 L HN 0.035 nan 8.230 nan 0.000 0.468 516 V N 0.801 120.684 119.914 -0.051 0.000 2.332 516 V HA -0.184 3.941 4.120 0.007 0.000 0.248 516 V C -0.191 175.842 176.094 -0.102 0.000 1.055 516 V CA 1.852 64.098 62.300 -0.089 0.000 1.038 516 V CB -1.479 30.233 31.823 -0.184 0.000 0.651 516 V HN 0.375 nan 8.190 nan 0.000 0.450 517 P HA -0.144 nan 4.420 nan 0.000 0.227 517 P C 0.454 177.309 177.300 -0.741 0.000 1.145 517 P CA 1.567 64.334 63.100 -0.554 0.000 0.769 517 P CB -0.180 30.991 31.700 -0.881 0.000 0.769 518 Y N -4.453 115.865 120.300 0.031 0.000 2.610 518 Y HA 0.166 4.720 4.550 0.006 0.000 0.254 518 Y C 1.667 177.615 175.900 0.079 0.000 1.110 518 Y CA -0.624 57.524 58.100 0.079 0.000 1.238 518 Y CB -0.393 38.129 38.460 0.105 0.000 1.322 518 Y HN -0.268 nan 8.280 nan 0.000 0.547 519 L N 1.129 122.371 121.223 0.032 0.000 2.010 519 L HA -0.321 4.023 4.340 0.007 0.000 0.219 519 L C 2.494 179.245 176.870 -0.198 0.000 1.077 519 L CA 2.314 57.013 54.840 -0.235 0.000 0.773 519 L CB -1.300 40.295 42.059 -0.772 0.000 0.892 519 L HN 0.356 nan 8.230 nan 0.000 0.436 520 A N -2.306 120.511 122.820 -0.005 0.000 1.933 520 A HA -0.270 4.054 4.320 0.007 0.000 0.218 520 A C 2.282 179.990 177.584 0.207 0.000 1.175 520 A CA 1.548 53.719 52.037 0.224 0.000 0.628 520 A CB -0.862 18.382 19.000 0.406 0.000 0.814 520 A HN 0.472 nan 8.150 nan 0.000 0.444 521 Y N 0.309 120.676 120.300 0.111 0.000 2.133 521 Y HA -0.143 4.411 4.550 0.007 0.000 0.287 521 Y C 2.068 178.007 175.900 0.064 0.000 1.134 521 Y CA 1.637 59.803 58.100 0.110 0.000 1.133 521 Y CB -0.295 38.270 38.460 0.175 0.000 0.987 521 Y HN 0.267 nan 8.280 nan 0.000 0.502 522 I N -0.481 120.183 120.570 0.158 0.000 2.113 522 I HA -0.363 3.811 4.170 0.007 0.000 0.238 522 I C 2.353 178.430 176.117 -0.066 0.000 1.070 522 I CA 1.486 62.799 61.300 0.022 0.000 1.332 522 I CB -0.626 37.480 38.000 0.177 0.000 1.044 522 I HN 0.184 nan 8.210 nan 0.000 0.402 523 L N 0.344 121.552 121.223 -0.026 0.000 2.129 523 L HA -0.283 4.061 4.340 0.007 0.000 0.212 523 L C 2.203 179.051 176.870 -0.037 0.000 1.087 523 L CA 1.431 56.248 54.840 -0.038 0.000 0.757 523 L CB -0.708 41.335 42.059 -0.027 0.000 0.896 523 L HN 0.350 nan 8.230 nan 0.000 0.434 524 D N -0.434 119.952 120.400 -0.023 0.000 2.116 524 D HA -0.184 4.460 4.640 0.007 0.000 0.193 524 D C 2.001 178.345 176.300 0.074 0.000 0.998 524 D CA 1.924 55.934 54.000 0.016 0.000 0.836 524 D CB 0.128 40.922 40.800 -0.010 0.000 0.951 524 D HN 0.159 nan 8.370 nan 0.000 0.449 525 T N -0.044 114.477 114.554 -0.055 0.000 2.770 525 T HA -0.012 4.342 4.350 0.007 0.000 0.263 525 T C 2.061 176.730 174.700 -0.052 0.000 1.039 525 T CA 0.681 62.745 62.100 -0.060 0.000 1.142 525 T CB -0.270 68.457 68.868 -0.234 0.000 0.868 525 T HN 0.146 nan 8.240 nan 0.000 0.435 526 L N 1.007 122.157 121.223 -0.122 0.000 2.191 526 L HA -0.048 4.296 4.340 0.007 0.000 0.212 526 L C 2.511 179.329 176.870 -0.088 0.000 1.103 526 L CA 0.621 55.381 54.840 -0.133 0.000 0.769 526 L CB -0.676 41.318 42.059 -0.110 0.000 0.908 526 L HN 0.153 nan 8.230 nan 0.000 0.438 527 V N -0.958 118.909 119.914 -0.079 0.000 2.453 527 V HA -0.214 3.910 4.120 0.007 0.000 0.247 527 V C 2.178 178.205 176.094 -0.112 0.000 1.048 527 V CA 1.554 63.779 62.300 -0.124 0.000 1.049 527 V CB -0.442 31.268 31.823 -0.187 0.000 0.672 527 V HN 0.226 nan 8.190 nan 0.000 0.457 528 F N 0.735 120.634 119.950 -0.086 0.000 2.146 528 F HA -0.115 4.417 4.527 0.009 0.000 0.298 528 F C 2.471 178.205 175.800 -0.110 0.000 1.096 528 F CA 1.405 59.359 58.000 -0.076 0.000 1.275 528 F CB -0.579 38.367 39.000 -0.089 0.000 1.008 528 F HN 0.100 nan 8.300 nan 0.000 0.480 529 A N -0.335 122.464 122.820 -0.035 0.000 1.948 529 A HA -0.289 4.036 4.320 0.007 0.000 0.220 529 A C 2.052 179.408 177.584 -0.380 0.000 1.177 529 A CA 1.665 53.452 52.037 -0.417 0.000 0.636 529 A CB -1.430 17.106 19.000 -0.772 0.000 0.815 529 A HN 0.410 nan 8.150 nan 0.000 0.449 530 F N 0.533 120.287 119.950 -0.327 0.000 2.216 530 F HA -0.137 4.394 4.527 0.006 0.000 0.300 530 F C 2.712 178.440 175.800 -0.120 0.000 1.085 530 F CA 1.756 59.613 58.000 -0.238 0.000 1.326 530 F CB -0.038 38.841 39.000 -0.202 0.000 1.027 530 F HN 0.205 nan 8.300 nan 0.000 0.497 531 S N -0.710 115.028 115.700 0.064 0.000 2.377 531 S HA -0.131 4.343 4.470 0.007 0.000 0.223 531 S C 1.979 176.609 174.600 0.049 0.000 1.030 531 S CA 0.927 59.156 58.200 0.048 0.000 0.970 531 S CB -0.097 63.128 63.200 0.041 0.000 0.830 531 S HN 0.285 nan 8.310 nan 0.000 0.473 532 K N -0.292 120.158 120.400 0.083 0.000 2.062 532 K HA -0.020 4.304 4.320 0.007 0.000 0.205 532 K C -0.162 176.549 176.600 0.186 0.000 1.051 532 K CA 0.679 57.049 56.287 0.137 0.000 0.941 532 K CB -0.112 32.495 32.500 0.178 0.000 0.719 532 K HN 0.156 nan 8.250 nan 0.000 0.440 533 Y N 2.429 122.685 120.300 -0.074 0.000 2.578 533 Y HA -0.019 4.535 4.550 0.007 0.000 0.339 533 Y C 0.865 176.697 175.900 -0.113 0.000 1.231 533 Y CA -0.396 57.640 58.100 -0.106 0.000 1.461 533 Y CB 0.380 38.739 38.460 -0.168 0.000 1.323 533 Y HN 0.171 nan 8.280 nan 0.000 0.590 534 Q N 1.299 121.098 119.800 -0.002 0.000 2.185 534 Q HA 0.059 4.403 4.340 0.007 0.000 0.225 534 Q C 1.639 177.631 176.000 -0.012 0.000 0.983 534 Q CA -0.541 55.258 55.803 -0.008 0.000 0.950 534 Q CB 0.359 29.087 28.738 -0.017 0.000 1.176 534 Q HN 0.842 nan 8.270 nan 0.000 0.510 535 H N 1.433 120.473 119.070 -0.050 0.000 2.321 535 H HA -0.209 4.351 4.556 0.006 0.000 0.295 535 H C 1.708 177.021 175.328 -0.025 0.000 1.102 535 H CA 2.510 58.537 56.048 -0.035 0.000 1.266 535 H CB 0.350 30.098 29.762 -0.024 0.000 1.363 535 H HN 0.549 nan 8.280 nan 0.000 0.492 536 K N -0.049 120.294 120.400 -0.096 0.000 2.002 536 K HA -0.145 4.179 4.320 0.007 0.000 0.209 536 K C 1.978 178.472 176.600 -0.176 0.000 1.048 536 K CA 1.599 57.801 56.287 -0.143 0.000 0.930 536 K CB 0.021 32.512 32.500 -0.014 0.000 0.714 536 K HN 0.276 nan 8.250 nan 0.000 0.438 537 N N 1.280 119.865 118.700 -0.191 0.000 2.270 537 N HA -0.117 4.627 4.740 0.007 0.000 0.181 537 N C 1.812 177.318 175.510 -0.006 0.000 1.016 537 N CA 0.511 53.420 53.050 -0.235 0.000 0.870 537 N CB -0.200 37.856 38.487 -0.718 0.000 0.979 537 N HN 0.208 nan 8.380 nan 0.000 0.431 538 L N 0.875 122.073 121.223 -0.041 0.000 2.013 538 L HA -0.196 4.148 4.340 0.007 0.000 0.212 538 L C 1.981 178.772 176.870 -0.132 0.000 1.073 538 L CA 1.143 55.897 54.840 -0.144 0.000 0.753 538 L CB -0.303 41.587 42.059 -0.281 0.000 0.890 538 L HN 0.165 nan 8.230 nan 0.000 0.432 539 L N -0.551 120.633 121.223 -0.063 0.000 2.013 539 L HA -0.321 4.023 4.340 0.007 0.000 0.212 539 L C 2.480 179.433 176.870 0.138 0.000 1.073 539 L CA 1.693 56.592 54.840 0.098 0.000 0.753 539 L CB -0.620 41.424 42.059 -0.025 0.000 0.890 539 L HN 0.308 nan 8.230 nan 0.000 0.432 540 I N -0.617 120.003 120.570 0.084 0.000 2.286 540 I HA -0.286 3.888 4.170 0.007 0.000 0.248 540 I C 2.527 178.739 176.117 0.159 0.000 1.115 540 I CA 0.797 62.169 61.300 0.120 0.000 1.392 540 I CB -0.198 37.859 38.000 0.095 0.000 1.065 540 I HN 0.239 nan 8.210 nan 0.000 0.418 541 L N 0.611 121.929 121.223 0.159 0.000 1.989 541 L HA -0.259 4.085 4.340 0.007 0.000 0.211 541 L C 2.411 179.349 176.870 0.114 0.000 1.071 541 L CA 2.004 56.898 54.840 0.090 0.000 0.749 541 L CB -1.030 40.990 42.059 -0.065 0.000 0.890 541 L HN 0.169 nan 8.230 nan 0.000 0.431 542 Y N -0.184 120.201 120.300 0.141 0.000 2.102 542 Y HA -0.378 4.176 4.550 0.006 0.000 0.280 542 Y C 2.721 178.684 175.900 0.105 0.000 1.178 542 Y CA 1.736 59.922 58.100 0.143 0.000 1.146 542 Y CB -0.420 38.111 38.460 0.118 0.000 0.968 542 Y HN 0.399 nan 8.280 nan 0.000 0.504 543 D N 0.004 120.562 120.400 0.263 0.000 2.123 543 D HA -0.201 4.443 4.640 0.007 0.000 0.196 543 D C 2.179 178.569 176.300 0.150 0.000 0.992 543 D CA 1.320 55.422 54.000 0.170 0.000 0.833 543 D CB -0.038 40.844 40.800 0.138 0.000 0.954 543 D HN 0.380 nan 8.370 nan 0.000 0.455 544 A N 0.670 123.587 122.820 0.162 0.000 1.930 544 A HA -0.097 4.227 4.320 0.007 0.000 0.217 544 A C 2.474 180.148 177.584 0.151 0.000 1.175 544 A CA 0.841 52.979 52.037 0.168 0.000 0.627 544 A CB -0.573 18.543 19.000 0.193 0.000 0.815 544 A HN 0.321 nan 8.150 nan 0.000 0.443 545 I N -0.414 120.241 120.570 0.142 0.000 2.202 545 I HA -0.155 4.019 4.170 0.007 0.000 0.242 545 I C 2.752 178.928 176.117 0.098 0.000 1.091 545 I CA 1.013 62.381 61.300 0.113 0.000 1.368 545 I CB -0.821 37.251 38.000 0.119 0.000 1.058 545 I HN 0.378 nan 8.210 nan 0.000 0.410 546 G N 0.610 109.480 108.800 0.116 0.000 2.491 546 G HA2 -0.275 3.689 3.960 0.007 0.000 0.218 546 G HA3 -0.275 3.689 3.960 0.007 0.000 0.218 546 G C 1.655 176.589 174.900 0.056 0.000 1.180 546 G CA 1.655 46.801 45.100 0.076 0.000 0.774 546 G HN 0.278 nan 8.290 nan 0.000 0.562 547 T N 0.938 115.532 114.554 0.067 0.000 2.759 547 T HA -0.128 4.226 4.350 0.007 0.000 0.269 547 T C 2.217 176.942 174.700 0.041 0.000 1.042 547 T CA 1.191 63.320 62.100 0.048 0.000 1.140 547 T CB -0.217 68.684 68.868 0.054 0.000 0.864 547 T HN 0.116 nan 8.240 nan 0.000 0.455 548 L N 1.618 122.877 121.223 0.061 0.000 1.976 548 L HA 0.057 4.401 4.340 0.007 0.000 0.209 548 L C 2.688 179.578 176.870 0.033 0.000 1.071 548 L CA 2.106 56.979 54.840 0.054 0.000 0.746 548 L CB -1.353 40.755 42.059 0.081 0.000 0.890 548 L HN 0.226 nan 8.230 nan 0.000 0.432 549 A N -0.724 122.115 122.820 0.031 0.000 1.892 549 A HA -0.285 4.039 4.320 0.007 0.000 0.218 549 A C 2.013 179.609 177.584 0.020 0.000 1.188 549 A CA 2.226 54.276 52.037 0.022 0.000 0.631 549 A CB -1.015 17.989 19.000 0.007 0.000 0.822 549 A HN 0.584 nan 8.150 nan 0.000 0.447 550 D N -0.437 119.972 120.400 0.015 0.000 2.144 550 D HA -0.043 4.601 4.640 0.007 0.000 0.200 550 D C 2.167 178.475 176.300 0.013 0.000 0.978 550 D CA 1.534 55.539 54.000 0.009 0.000 0.833 550 D CB -0.313 40.489 40.800 0.003 0.000 0.961 550 D HN 0.390 nan 8.370 nan 0.000 0.470 551 S N -0.591 115.115 115.700 0.011 0.000 2.489 551 S HA 0.007 4.481 4.470 0.007 0.000 0.228 551 S C 1.873 176.477 174.600 0.006 0.000 0.995 551 S CA 0.120 58.320 58.200 0.001 0.000 0.934 551 S CB 0.594 63.785 63.200 -0.015 0.000 0.771 551 S HN 0.061 nan 8.310 nan 0.000 0.522 552 V N -0.092 119.838 119.914 0.027 0.000 3.612 552 V HA 0.298 4.423 4.120 0.007 0.000 0.268 552 V C 1.444 177.626 176.094 0.147 0.000 1.365 552 V CA 0.671 63.001 62.300 0.050 0.000 1.044 552 V CB -0.196 31.643 31.823 0.026 0.000 0.820 552 V HN 0.557 nan 8.190 nan 0.000 0.444 553 G N 0.413 109.274 108.800 0.101 0.000 2.611 553 G HA2 -0.493 3.471 3.960 0.007 0.000 0.301 553 G HA3 -0.493 3.471 3.960 0.007 0.000 0.301 553 G C 0.866 175.828 174.900 0.103 0.000 1.233 553 G CA 1.156 46.314 45.100 0.097 0.000 0.993 553 G HN 0.977 nan 8.290 nan 0.000 0.553 554 H N -0.881 118.229 119.070 0.066 0.000 2.457 554 H HA -0.118 4.442 4.556 0.007 0.000 0.297 554 H C 2.410 177.743 175.328 0.008 0.000 1.092 554 H CA 2.421 58.471 56.048 0.003 0.000 1.309 554 H CB -0.969 28.747 29.762 -0.075 0.000 1.382 554 H HN 0.790 nan 8.280 nan 0.000 0.535 555 H N -0.846 118.268 119.070 0.073 0.000 2.541 555 H HA -0.067 4.493 4.556 0.007 0.000 0.289 555 H C 2.058 177.488 175.328 0.170 0.000 1.054 555 H CA 1.169 57.281 56.048 0.107 0.000 1.250 555 H CB 0.011 29.817 29.762 0.074 0.000 1.369 555 H HN 0.504 nan 8.280 nan 0.000 0.578 556 L N 1.065 122.423 121.223 0.226 0.000 2.492 556 L HA 0.005 4.349 4.340 0.007 0.000 0.223 556 L C 0.988 178.020 176.870 0.270 0.000 1.132 556 L CA 0.461 55.437 54.840 0.228 0.000 0.850 556 L CB -0.071 42.060 42.059 0.120 0.000 0.966 556 L HN -0.016 nan 8.230 nan 0.000 0.454 557 N N 1.480 120.291 118.700 0.185 0.000 3.254 557 N HA 0.064 4.808 4.740 0.007 0.000 0.308 557 N C -1.056 174.509 175.510 0.091 0.000 1.281 557 N CA 0.268 53.396 53.050 0.129 0.000 1.212 557 N CB -0.295 38.238 38.487 0.077 0.000 1.478 557 N HN 0.227 nan 8.380 nan 0.000 0.548 558 K N 0.732 121.186 120.400 0.090 0.000 2.482 558 K HA 0.298 4.622 4.320 0.007 0.000 0.251 558 K C -1.978 174.553 176.600 -0.115 0.000 0.936 558 K CA -1.851 54.380 56.287 -0.094 0.000 0.791 558 K CB 2.468 34.761 32.500 -0.345 0.000 1.213 558 K HN -0.091 nan 8.250 nan 0.000 0.428 559 P HA -0.248 nan 4.420 nan 0.000 0.217 559 P C 0.956 178.220 177.300 -0.059 0.000 1.148 559 P CA 1.215 64.291 63.100 -0.041 0.000 0.834 559 P CB 0.366 32.040 31.700 -0.044 0.000 0.783 560 E N -1.417 118.678 120.200 -0.175 0.000 2.058 560 E HA -0.227 4.127 4.350 0.007 0.000 0.194 560 E C 1.711 178.326 176.600 0.026 0.000 0.997 560 E CA 1.308 57.626 56.400 -0.136 0.000 0.801 560 E CB -0.297 29.243 29.700 -0.265 0.000 0.746 560 E HN 0.233 nan 8.360 nan 0.000 0.450 561 Y N 0.676 121.001 120.300 0.042 0.000 2.184 561 Y HA -0.120 4.434 4.550 0.006 0.000 0.290 561 Y C 2.383 178.299 175.900 0.027 0.000 1.129 561 Y CA 0.823 58.946 58.100 0.039 0.000 1.144 561 Y CB -1.010 37.481 38.460 0.052 0.000 0.995 561 Y HN 0.193 nan 8.280 nan 0.000 0.513 562 I N -0.254 120.435 120.570 0.198 0.000 2.454 562 I HA -0.309 3.865 4.170 0.007 0.000 0.254 562 I C 2.015 178.187 176.117 0.093 0.000 1.156 562 I CA 1.673 63.054 61.300 0.135 0.000 1.433 562 I CB -0.179 37.929 38.000 0.180 0.000 1.082 562 I HN 0.173 nan 8.210 nan 0.000 0.432 563 Q N 1.011 120.862 119.800 0.086 0.000 2.224 563 Q HA -0.135 4.209 4.340 0.007 0.000 0.203 563 Q C 2.136 178.151 176.000 0.025 0.000 0.970 563 Q CA 2.300 58.138 55.803 0.059 0.000 0.865 563 Q CB -0.114 28.648 28.738 0.040 0.000 0.922 563 Q HN 0.814 nan 8.270 nan 0.000 0.445 564 M N -2.776 116.841 119.600 0.028 0.000 2.615 564 M HA 0.159 4.643 4.480 0.007 0.000 0.262 564 M C 1.508 177.766 176.300 -0.070 0.000 1.198 564 M CA 0.443 55.733 55.300 -0.017 0.000 1.165 564 M CB -0.072 32.532 32.600 0.008 0.000 1.310 564 M HN 0.115 nan 8.290 nan 0.000 0.494 565 L N 0.936 122.127 121.223 -0.053 0.000 2.240 565 L HA 0.145 4.489 4.340 0.007 0.000 0.211 565 L C 2.210 178.974 176.870 -0.177 0.000 1.106 565 L CA 1.608 56.379 54.840 -0.115 0.000 0.793 565 L CB -0.389 41.633 42.059 -0.060 0.000 0.927 565 L HN 0.315 nan 8.230 nan 0.000 0.446 566 M N -0.452 119.051 119.600 -0.162 0.000 2.248 566 M HA 0.125 4.609 4.480 0.007 0.000 0.265 566 M C -0.760 175.410 176.300 -0.216 0.000 1.079 566 M CA 0.997 56.141 55.300 -0.261 0.000 1.150 566 M CB -1.058 31.268 32.600 -0.458 0.000 1.366 566 M HN 0.010 nan 8.290 nan 0.000 0.433 567 P HA -0.117 nan 4.420 nan 0.000 0.215 567 P C -1.504 175.736 177.300 -0.100 0.000 1.157 567 P CA 1.886 64.936 63.100 -0.084 0.000 0.874 567 P CB -1.390 30.276 31.700 -0.057 0.000 0.790 568 P HA -0.068 nan 4.420 nan 0.000 0.219 568 P C 1.507 178.675 177.300 -0.220 0.000 1.150 568 P CA 1.127 64.087 63.100 -0.234 0.000 0.814 568 P CB -0.466 30.913 31.700 -0.535 0.000 0.787 569 L N -1.553 119.513 121.223 -0.262 0.000 2.131 569 L HA -0.063 4.281 4.340 0.007 0.000 0.206 569 L C 2.404 179.332 176.870 0.097 0.000 1.087 569 L CA 1.038 55.840 54.840 -0.064 0.000 0.767 569 L CB -0.671 41.333 42.059 -0.091 0.000 0.917 569 L HN -0.113 nan 8.230 nan 0.000 0.441 570 I N -0.550 120.024 120.570 0.007 0.000 2.252 570 I HA -0.287 3.887 4.170 0.007 0.000 0.245 570 I C 2.775 179.008 176.117 0.193 0.000 1.102 570 I CA 1.086 62.422 61.300 0.060 0.000 1.385 570 I CB -0.325 37.661 38.000 -0.023 0.000 1.064 570 I HN 0.376 nan 8.210 nan 0.000 0.414 571 Q N 1.492 121.375 119.800 0.139 0.000 2.045 571 Q HA -0.327 4.017 4.340 0.007 0.000 0.206 571 Q C 2.183 178.316 176.000 0.222 0.000 0.991 571 Q CA 2.192 58.092 55.803 0.161 0.000 0.851 571 Q CB -0.061 28.752 28.738 0.126 0.000 0.911 571 Q HN 0.262 nan 8.270 nan 0.000 0.418 572 K N 0.376 120.950 120.400 0.289 0.000 2.057 572 K HA -0.161 4.163 4.320 0.007 0.000 0.207 572 K C 1.791 178.570 176.600 0.298 0.000 1.049 572 K CA 1.531 58.006 56.287 0.313 0.000 0.931 572 K CB -0.723 32.051 32.500 0.456 0.000 0.714 572 K HN 0.478 nan 8.250 nan 0.000 0.440 573 W N 1.627 123.011 121.300 0.139 0.000 2.333 573 W HA -0.240 4.422 4.660 0.004 0.000 0.316 573 W C 1.183 177.757 176.519 0.093 0.000 1.215 573 W CA 1.801 59.213 57.345 0.112 0.000 1.278 573 W CB -0.583 28.938 29.460 0.102 0.000 1.154 573 W HN 0.164 nan 8.180 nan 0.000 0.486 574 N N 0.368 119.293 118.700 0.375 0.000 2.188 574 N HA -0.198 4.546 4.740 0.007 0.000 0.184 574 N C 1.903 177.475 175.510 0.104 0.000 1.018 574 N CA 1.743 54.926 53.050 0.222 0.000 0.858 574 N CB -0.954 37.666 38.487 0.223 0.000 0.989 574 N HN 0.259 nan 8.380 nan 0.000 0.426 575 M N 0.488 120.156 119.600 0.113 0.000 2.229 575 M HA -0.011 4.473 4.480 0.007 0.000 0.264 575 M C 0.003 176.325 176.300 0.037 0.000 1.063 575 M CA 0.723 56.068 55.300 0.076 0.000 1.114 575 M CB 0.132 32.788 32.600 0.094 0.000 1.387 575 M HN -0.026 nan 8.290 nan 0.000 0.420 576 L N 1.655 122.888 121.223 0.017 0.000 2.350 576 L HA 0.282 4.626 4.340 0.007 0.000 0.275 576 L C 0.403 177.229 176.870 -0.073 0.000 1.099 576 L CA -0.649 54.176 54.840 -0.025 0.000 0.808 576 L CB 0.918 42.961 42.059 -0.027 0.000 1.149 576 L HN -0.023 nan 8.230 nan 0.000 0.442 577 K N 0.670 121.039 120.400 -0.051 0.000 2.118 577 K HA 0.252 4.576 4.320 0.007 0.000 0.254 577 K C 0.315 176.883 176.600 -0.054 0.000 0.961 577 K CA -0.533 55.719 56.287 -0.059 0.000 0.876 577 K CB 0.489 32.966 32.500 -0.038 0.000 1.077 577 K HN 0.692 nan 8.250 nan 0.000 0.440 578 D N 0.590 120.946 120.400 -0.073 0.000 2.315 578 D HA -0.117 4.528 4.640 0.007 0.000 0.211 578 D C 0.582 176.832 176.300 -0.084 0.000 0.977 578 D CA 1.696 55.657 54.000 -0.066 0.000 0.894 578 D CB 0.344 41.083 40.800 -0.102 0.000 0.910 578 D HN 0.771 nan 8.370 nan 0.000 0.490 579 E N -0.131 120.018 120.200 -0.085 0.000 2.474 579 E HA 0.061 4.415 4.350 0.007 0.000 0.195 579 E C -0.114 176.550 176.600 0.107 0.000 1.039 579 E CA -0.022 56.298 56.400 -0.132 0.000 0.881 579 E CB 0.318 29.946 29.700 -0.120 0.000 0.970 579 E HN 0.093 nan 8.360 nan 0.000 0.486 580 D N 0.938 121.422 120.400 0.139 0.000 2.316 580 D HA 0.079 4.723 4.640 0.007 0.000 0.245 580 D C 0.329 176.585 176.300 -0.074 0.000 1.171 580 D CA -0.080 53.949 54.000 0.048 0.000 0.856 580 D CB 0.857 41.650 40.800 -0.012 0.000 1.090 580 D HN -0.087 nan 8.370 nan 0.000 0.476 581 K N 1.888 122.131 120.400 -0.262 0.000 2.519 581 K HA -0.089 4.235 4.320 0.007 0.000 0.196 581 K C 0.534 176.585 176.600 -0.915 0.000 1.041 581 K CA 0.504 56.210 56.287 -0.968 0.000 0.954 581 K CB 0.392 32.506 32.500 -0.644 0.000 0.774 581 K HN 0.317 nan 8.250 nan 0.000 0.480 582 D N 0.394 120.562 120.400 -0.386 0.000 2.363 582 D HA -0.053 4.591 4.640 0.007 0.000 0.226 582 D C 1.103 177.301 176.300 -0.170 0.000 1.020 582 D CA 0.378 54.274 54.000 -0.174 0.000 0.892 582 D CB 0.252 41.055 40.800 0.005 0.000 0.900 582 D HN 0.035 nan 8.370 nan 0.000 0.531 583 L N -0.182 120.866 121.223 -0.292 0.000 2.418 583 L HA 0.036 4.380 4.340 0.007 0.000 0.218 583 L C 1.368 178.223 176.870 -0.025 0.000 1.125 583 L CA 0.755 55.516 54.840 -0.131 0.000 0.835 583 L CB -0.339 41.681 42.059 -0.066 0.000 0.953 583 L HN -0.108 nan 8.230 nan 0.000 0.454 584 F N 0.604 120.427 119.950 -0.211 0.000 2.075 584 F HA -0.023 4.509 4.527 0.007 0.000 0.297 584 F C -0.090 175.588 175.800 -0.202 0.000 1.113 584 F CA 0.652 58.522 58.000 -0.217 0.000 1.218 584 F CB -2.706 36.157 39.000 -0.229 0.000 0.984 584 F HN 0.166 nan 8.300 nan 0.000 0.472 585 P HA -0.106 nan 4.420 nan 0.000 0.217 585 P C 2.112 179.033 177.300 -0.631 0.000 1.151 585 P CA 0.841 63.770 63.100 -0.285 0.000 0.828 585 P CB -0.074 31.464 31.700 -0.270 0.000 0.788 586 L N -0.535 120.261 121.223 -0.712 0.000 2.012 586 L HA -0.159 4.186 4.340 0.007 0.000 0.210 586 L C 2.140 178.950 176.870 -0.100 0.000 1.073 586 L CA 1.954 56.493 54.840 -0.501 0.000 0.748 586 L CB -1.327 40.694 42.059 -0.062 0.000 0.891 586 L HN -0.132 nan 8.230 nan 0.000 0.431 587 L N -1.074 120.153 121.223 0.006 0.000 2.156 587 L HA -0.075 4.269 4.340 0.007 0.000 0.208 587 L C 2.460 179.347 176.870 0.029 0.000 1.095 587 L CA 0.698 55.604 54.840 0.110 0.000 0.770 587 L CB -0.796 41.356 42.059 0.156 0.000 0.914 587 L HN 0.303 nan 8.230 nan 0.000 0.439 588 E N -0.454 119.729 120.200 -0.028 0.000 2.274 588 E HA -0.187 4.167 4.350 0.007 0.000 0.194 588 E C 2.168 178.752 176.600 -0.028 0.000 0.996 588 E CA 0.851 57.232 56.400 -0.032 0.000 0.840 588 E CB -0.288 29.389 29.700 -0.038 0.000 0.772 588 E HN 0.474 nan 8.360 nan 0.000 0.491 589 C N 0.226 119.501 119.300 -0.040 0.000 2.518 589 C HA -0.021 4.443 4.460 0.007 0.000 0.279 589 C C 2.504 177.496 174.990 0.004 0.000 1.279 589 C CA 0.156 59.188 59.018 0.022 0.000 1.703 589 C CB -0.967 26.835 27.740 0.104 0.000 2.072 589 C HN 0.272 nan 8.230 nan 0.000 0.487 590 L N 1.403 122.630 121.223 0.005 0.000 2.261 590 L HA -0.056 4.288 4.340 0.007 0.000 0.216 590 L C 2.798 179.578 176.870 -0.150 0.000 1.114 590 L CA 2.133 56.947 54.840 -0.043 0.000 0.777 590 L CB -0.968 41.123 42.059 0.054 0.000 0.910 590 L HN 0.569 nan 8.230 nan 0.000 0.440 591 S N -2.099 113.550 115.700 -0.085 0.000 2.371 591 S HA -0.130 4.344 4.470 0.007 0.000 0.224 591 S C 2.164 176.695 174.600 -0.115 0.000 1.029 591 S CA 1.445 59.584 58.200 -0.101 0.000 0.978 591 S CB -0.117 63.056 63.200 -0.046 0.000 0.833 591 S HN 0.482 nan 8.310 nan 0.000 0.466 592 S N 0.679 116.333 115.700 -0.076 0.000 2.402 592 S HA -0.008 4.466 4.470 0.007 0.000 0.229 592 S C 1.832 176.382 174.600 -0.083 0.000 1.021 592 S CA 1.202 59.366 58.200 -0.059 0.000 0.974 592 S CB -0.333 62.854 63.200 -0.021 0.000 0.800 592 S HN 0.421 nan 8.310 nan 0.000 0.484 593 V N 1.797 121.642 119.914 -0.116 0.000 2.379 593 V HA -0.114 4.010 4.120 0.007 0.000 0.245 593 V C 2.613 178.561 176.094 -0.244 0.000 1.044 593 V CA 1.555 63.776 62.300 -0.133 0.000 1.036 593 V CB -1.100 30.656 31.823 -0.112 0.000 0.664 593 V HN 0.518 nan 8.190 nan 0.000 0.453 594 A N -0.245 122.288 122.820 -0.478 0.000 1.940 594 A HA -0.230 4.095 4.320 0.007 0.000 0.219 594 A C 2.379 179.799 177.584 -0.273 0.000 1.176 594 A CA 2.529 54.138 52.037 -0.713 0.000 0.631 594 A CB -0.867 17.556 19.000 -0.963 0.000 0.814 594 A HN 0.513 nan 8.150 nan 0.000 0.446 595 T N 0.111 114.567 114.554 -0.163 0.000 2.737 595 T HA 0.042 4.396 4.350 0.007 0.000 0.265 595 T C 2.290 176.973 174.700 -0.028 0.000 1.038 595 T CA 1.479 63.540 62.100 -0.064 0.000 1.144 595 T CB -0.471 68.370 68.868 -0.045 0.000 0.866 595 T HN 0.598 nan 8.240 nan 0.000 0.434 596 A N 1.618 124.420 122.820 -0.030 0.000 1.883 596 A HA 0.049 4.373 4.320 0.007 0.000 0.217 596 A C 1.104 178.709 177.584 0.035 0.000 1.186 596 A CA 0.996 53.040 52.037 0.012 0.000 0.624 596 A CB -0.967 18.044 19.000 0.017 0.000 0.822 596 A HN 0.517 nan 8.150 nan 0.000 0.444 597 L N 1.120 122.363 121.223 0.034 0.000 2.385 597 L HA 0.068 4.412 4.340 0.007 0.000 0.281 597 L C 1.201 178.124 176.870 0.088 0.000 1.106 597 L CA -0.783 54.113 54.840 0.093 0.000 0.856 597 L CB 0.347 42.507 42.059 0.168 0.000 1.186 597 L HN 0.411 nan 8.230 nan 0.000 0.453 598 Q N 1.973 121.821 119.800 0.080 0.000 1.813 598 Q HA -0.081 4.264 4.340 0.007 0.000 0.261 598 Q C 1.600 177.667 176.000 0.112 0.000 0.975 598 Q CA 1.630 57.478 55.803 0.075 0.000 0.881 598 Q CB -0.328 28.442 28.738 0.053 0.000 0.924 598 Q HN 0.733 nan 8.270 nan 0.000 0.425 599 S N 0.288 116.047 115.700 0.099 0.000 2.535 599 S HA 0.138 4.612 4.470 0.007 0.000 0.214 599 S C 1.754 176.423 174.600 0.114 0.000 0.980 599 S CA 0.382 58.641 58.200 0.099 0.000 0.907 599 S CB 0.171 63.406 63.200 0.059 0.000 0.790 599 S HN 0.579 nan 8.310 nan 0.000 0.510 600 G N 0.882 109.767 108.800 0.142 0.000 2.462 600 G HA2 -0.192 3.772 3.960 0.007 0.000 0.220 600 G HA3 -0.192 3.772 3.960 0.007 0.000 0.220 600 G C 0.902 175.962 174.900 0.266 0.000 1.121 600 G CA 0.338 45.538 45.100 0.167 0.000 0.758 600 G HN 0.521 nan 8.290 nan 0.000 0.559 601 F N 0.825 120.863 119.950 0.146 0.000 2.811 601 F HA 0.335 4.867 4.527 0.009 0.000 0.301 601 F C 2.168 178.058 175.800 0.150 0.000 1.151 601 F CA -0.212 57.929 58.000 0.235 0.000 1.412 601 F CB 0.055 39.140 39.000 0.141 0.000 1.113 601 F HN 0.006 nan 8.300 nan 0.000 0.579 602 L N 0.701 121.957 121.223 0.054 0.000 2.012 602 L HA -0.197 4.147 4.340 0.007 0.000 0.210 602 L C -0.285 176.441 176.870 -0.240 0.000 1.073 602 L CA 1.511 56.314 54.840 -0.062 0.000 0.748 602 L CB -1.869 40.170 42.059 -0.034 0.000 0.891 602 L HN 0.044 nan 8.230 nan 0.000 0.431 603 P HA -0.185 nan 4.420 nan 0.000 0.220 603 P C 0.519 177.389 177.300 -0.717 0.000 1.144 603 P CA 1.533 64.267 63.100 -0.610 0.000 0.800 603 P CB -0.050 31.132 31.700 -0.863 0.000 0.772 604 Y N -2.527 117.492 120.300 -0.467 0.000 2.444 604 Y HA 0.104 4.657 4.550 0.005 0.000 0.249 604 Y C 2.329 177.859 175.900 -0.616 0.000 1.134 604 Y CA -0.255 57.457 58.100 -0.645 0.000 1.261 604 Y CB -1.071 36.766 38.460 -1.039 0.000 1.143 604 Y HN 0.100 nan 8.280 nan 0.000 0.523 605 C N -0.754 118.354 119.300 -0.321 0.000 2.468 605 C HA -0.004 4.460 4.460 0.007 0.000 0.277 605 C C 2.198 177.221 174.990 0.055 0.000 1.400 605 C CA 0.543 59.522 59.018 -0.064 0.000 1.770 605 C CB -0.685 27.113 27.740 0.096 0.000 1.905 605 C HN 0.572 nan 8.230 nan 0.000 0.519 606 E N 2.445 122.640 120.200 -0.008 0.000 2.015 606 E HA -0.069 4.285 4.350 0.007 0.000 0.191 606 E C -0.483 176.193 176.600 0.126 0.000 0.991 606 E CA 1.714 58.140 56.400 0.044 0.000 0.802 606 E CB -0.517 29.179 29.700 -0.006 0.000 0.759 606 E HN 0.490 nan 8.360 nan 0.000 0.447 607 P HA -0.089 nan 4.420 nan 0.000 0.219 607 P C 1.285 178.754 177.300 0.281 0.000 1.150 607 P CA 0.765 63.971 63.100 0.176 0.000 0.814 607 P CB 0.123 31.904 31.700 0.135 0.000 0.787 608 V N -1.082 118.903 119.914 0.117 0.000 2.295 608 V HA -0.271 3.853 4.120 0.007 0.000 0.246 608 V C 2.312 178.603 176.094 0.328 0.000 1.049 608 V CA 1.717 64.091 62.300 0.123 0.000 1.024 608 V CB -1.327 30.500 31.823 0.008 0.000 0.648 608 V HN 0.035 nan 8.190 nan 0.000 0.447 609 Y N 0.798 121.206 120.300 0.179 0.000 2.070 609 Y HA -0.291 4.263 4.550 0.006 0.000 0.280 609 Y C 2.877 178.877 175.900 0.167 0.000 1.148 609 Y CA 2.102 60.300 58.100 0.163 0.000 1.125 609 Y CB -0.174 38.357 38.460 0.118 0.000 0.975 609 Y HN 0.183 nan 8.280 nan 0.000 0.492 610 Q N 0.219 120.263 119.800 0.407 0.000 2.096 610 Q HA -0.244 4.100 4.340 0.007 0.000 0.204 610 Q C 2.377 178.498 176.000 0.201 0.000 0.982 610 Q CA 1.634 57.613 55.803 0.294 0.000 0.850 610 Q CB -0.528 28.353 28.738 0.239 0.000 0.901 610 Q HN 0.492 nan 8.270 nan 0.000 0.422 611 R N 0.001 120.660 120.500 0.265 0.000 2.075 611 R HA -0.087 4.257 4.340 0.007 0.000 0.232 611 R C 2.340 178.718 176.300 0.129 0.000 1.126 611 R CA 1.189 57.414 56.100 0.209 0.000 0.963 611 R CB -0.264 30.230 30.300 0.324 0.000 0.858 611 R HN 0.301 nan 8.270 nan 0.000 0.435 612 C N -0.205 119.181 119.300 0.144 0.000 2.429 612 C HA -0.075 4.390 4.460 0.007 0.000 0.277 612 C C 2.724 177.704 174.990 -0.016 0.000 1.262 612 C CA 0.569 59.618 59.018 0.052 0.000 1.733 612 C CB -0.757 26.981 27.740 -0.003 0.000 2.010 612 C HN 0.293 nan 8.230 nan 0.000 0.483 613 V N 1.511 121.389 119.914 -0.059 0.000 2.343 613 V HA -0.241 3.883 4.120 0.007 0.000 0.247 613 V C 1.967 178.066 176.094 0.009 0.000 1.051 613 V CA 2.334 64.609 62.300 -0.042 0.000 1.036 613 V CB -1.006 30.808 31.823 -0.014 0.000 0.654 613 V HN 0.593 nan 8.190 nan 0.000 0.451 614 N N 0.243 118.962 118.700 0.032 0.000 2.061 614 N HA -0.208 4.537 4.740 0.007 0.000 0.193 614 N C 1.834 177.349 175.510 0.009 0.000 1.030 614 N CA 1.543 54.607 53.050 0.025 0.000 0.856 614 N CB -0.324 38.182 38.487 0.031 0.000 1.023 614 N HN 0.358 nan 8.380 nan 0.000 0.424 615 L N 0.416 121.650 121.223 0.018 0.000 2.012 615 L HA -0.193 4.151 4.340 0.007 0.000 0.210 615 L C 2.189 179.073 176.870 0.022 0.000 1.073 615 L CA 0.985 55.843 54.840 0.029 0.000 0.748 615 L CB -0.483 41.627 42.059 0.085 0.000 0.891 615 L HN 0.114 nan 8.230 nan 0.000 0.431 616 V N -0.763 119.159 119.914 0.014 0.000 2.358 616 V HA -0.311 3.813 4.120 0.007 0.000 0.246 616 V C 2.390 178.481 176.094 -0.005 0.000 1.047 616 V CA 1.824 64.125 62.300 0.001 0.000 1.035 616 V CB -0.567 31.247 31.823 -0.014 0.000 0.658 616 V HN 0.503 nan 8.190 nan 0.000 0.452 617 Q N 0.587 120.385 119.800 -0.002 0.000 2.050 617 Q HA -0.245 4.099 4.340 0.007 0.000 0.202 617 Q C 2.481 178.472 176.000 -0.015 0.000 0.980 617 Q CA 2.575 58.377 55.803 -0.003 0.000 0.840 617 Q CB -0.217 28.525 28.738 0.007 0.000 0.898 617 Q HN 0.679 nan 8.270 nan 0.000 0.424 618 K N -0.261 120.125 120.400 -0.022 0.000 2.057 618 K HA -0.109 4.215 4.320 0.007 0.000 0.206 618 K C 1.935 178.506 176.600 -0.048 0.000 1.050 618 K CA 1.819 58.082 56.287 -0.040 0.000 0.935 618 K CB -1.449 31.016 32.500 -0.059 0.000 0.715 618 K HN 0.389 nan 8.250 nan 0.000 0.439 619 T N 1.384 115.914 114.554 -0.039 0.000 2.746 619 T HA -0.043 4.311 4.350 0.007 0.000 0.267 619 T C 2.026 176.709 174.700 -0.028 0.000 1.039 619 T CA 1.436 63.518 62.100 -0.030 0.000 1.142 619 T CB -0.243 68.629 68.868 0.007 0.000 0.866 619 T HN 0.352 nan 8.240 nan 0.000 0.444 620 L N 0.566 121.772 121.223 -0.028 0.000 2.109 620 L HA 0.011 4.355 4.340 0.007 0.000 0.207 620 L C 3.038 179.882 176.870 -0.042 0.000 1.086 620 L CA 0.947 55.767 54.840 -0.034 0.000 0.760 620 L CB -0.649 41.392 42.059 -0.030 0.000 0.910 620 L HN 0.229 nan 8.230 nan 0.000 0.437 621 A N -0.200 122.595 122.820 -0.042 0.000 1.883 621 A HA -0.298 4.026 4.320 0.007 0.000 0.217 621 A C 2.222 179.761 177.584 -0.074 0.000 1.186 621 A CA 2.000 54.004 52.037 -0.055 0.000 0.624 621 A CB -0.565 18.408 19.000 -0.045 0.000 0.822 621 A HN 0.386 nan 8.150 nan 0.000 0.444 622 Q N -0.199 119.567 119.800 -0.058 0.000 2.124 622 Q HA 0.001 4.345 4.340 0.007 0.000 0.202 622 Q C 1.964 177.933 176.000 -0.052 0.000 0.977 622 Q CA 2.000 57.773 55.803 -0.050 0.000 0.850 622 Q CB -0.606 28.115 28.738 -0.027 0.000 0.901 622 Q HN 0.563 nan 8.270 nan 0.000 0.429 623 A N -0.256 122.537 122.820 -0.045 0.000 1.969 623 A HA -0.133 4.191 4.320 0.007 0.000 0.218 623 A C 2.042 179.590 177.584 -0.060 0.000 1.169 623 A CA 1.487 53.500 52.037 -0.039 0.000 0.635 623 A CB -0.463 18.517 19.000 -0.034 0.000 0.810 623 A HN 0.494 nan 8.150 nan 0.000 0.445 624 M N -0.724 118.827 119.600 -0.081 0.000 2.132 624 M HA -0.059 4.425 4.480 0.007 0.000 0.263 624 M C 2.054 178.262 176.300 -0.153 0.000 1.065 624 M CA 1.279 56.520 55.300 -0.098 0.000 1.122 624 M CB -0.461 32.083 32.600 -0.093 0.000 1.365 624 M HN 0.373 nan 8.290 nan 0.000 0.411 625 L N -0.072 121.005 121.223 -0.243 0.000 2.017 625 L HA -0.250 4.094 4.340 0.007 0.000 0.208 625 L C 2.251 178.943 176.870 -0.298 0.000 1.073 625 L CA 1.498 56.037 54.840 -0.502 0.000 0.745 625 L CB -0.933 40.616 42.059 -0.851 0.000 0.894 625 L HN 0.373 nan 8.230 nan 0.000 0.432 626 N N 0.456 119.098 118.700 -0.096 0.000 2.104 626 N HA -0.260 4.484 4.740 0.007 0.000 0.190 626 N C 1.655 177.167 175.510 0.004 0.000 1.024 626 N CA 1.720 54.786 53.050 0.027 0.000 0.853 626 N CB -0.162 38.347 38.487 0.037 0.000 1.008 626 N HN 0.218 nan 8.380 nan 0.000 0.424 627 N N -0.339 118.341 118.700 -0.032 0.000 2.120 627 N HA -0.060 4.684 4.740 0.007 0.000 0.188 627 N C 1.474 176.970 175.510 -0.023 0.000 1.024 627 N CA 1.532 54.567 53.050 -0.026 0.000 0.852 627 N CB -0.426 38.039 38.487 -0.038 0.000 1.003 627 N HN 0.383 nan 8.380 nan 0.000 0.424 628 A N -0.745 122.044 122.820 -0.051 0.000 1.873 628 A HA -0.007 4.317 4.320 0.007 0.000 0.215 628 A C 0.799 178.389 177.584 0.010 0.000 1.186 628 A CA 1.150 53.163 52.037 -0.040 0.000 0.616 628 A CB -0.111 18.834 19.000 -0.092 0.000 0.823 628 A HN 0.462 nan 8.150 nan 0.000 0.442 629 Q N -1.474 118.356 119.800 0.050 0.000 2.589 629 Q HA 0.225 4.569 4.340 0.007 0.000 0.245 629 Q C -2.374 173.728 176.000 0.171 0.000 0.931 629 Q CA -1.689 54.196 55.803 0.136 0.000 0.730 629 Q CB 2.195 31.072 28.738 0.232 0.000 1.315 629 Q HN 0.208 nan 8.270 nan 0.000 0.469 630 P HA -0.183 nan 4.420 nan 0.000 0.219 630 P C 0.979 178.318 177.300 0.066 0.000 1.150 630 P CA 0.939 64.086 63.100 0.079 0.000 0.814 630 P CB 0.275 32.002 31.700 0.045 0.000 0.787 631 D N -0.212 120.219 120.400 0.053 0.000 2.158 631 D HA -0.243 4.401 4.640 0.007 0.000 0.197 631 D C 1.600 177.896 176.300 -0.006 0.000 0.995 631 D CA 1.343 55.356 54.000 0.023 0.000 0.846 631 D CB -0.054 40.758 40.800 0.020 0.000 0.941 631 D HN 0.207 nan 8.370 nan 0.000 0.456 632 Q N -1.686 118.113 119.800 -0.001 0.000 2.214 632 Q HA 0.042 4.386 4.340 0.007 0.000 0.229 632 Q C -0.710 175.061 176.000 -0.382 0.000 0.835 632 Q CA -0.167 55.528 55.803 -0.181 0.000 0.953 632 Q CB 0.913 29.515 28.738 -0.226 0.000 1.131 632 Q HN 0.229 nan 8.270 nan 0.000 0.501 633 Y N 0.128 120.424 120.300 -0.008 0.000 2.329 633 Y HA 0.340 4.894 4.550 0.006 0.000 0.328 633 Y C -0.118 175.777 175.900 -0.009 0.000 0.992 633 Y CA -0.656 57.438 58.100 -0.010 0.000 1.151 633 Y CB 1.400 39.854 38.460 -0.011 0.000 1.150 633 Y HN -0.035 nan 8.280 nan 0.000 0.450 634 E N 1.963 122.230 120.200 0.111 0.000 2.417 634 E HA 0.522 4.876 4.350 0.007 0.000 0.261 634 E C 0.202 176.847 176.600 0.075 0.000 1.000 634 E CA 0.048 56.489 56.400 0.068 0.000 0.919 634 E CB 0.316 30.037 29.700 0.036 0.000 0.955 634 E HN 0.829 nan 8.360 nan 0.000 0.455 635 A N 4.463 127.317 122.820 0.057 0.000 2.498 635 A HA 0.509 4.833 4.320 0.007 0.000 0.239 635 A C -1.577 176.031 177.584 0.040 0.000 1.068 635 A CA -0.458 51.604 52.037 0.043 0.000 0.766 635 A CB -0.069 18.951 19.000 0.035 0.000 1.003 635 A HN 0.693 nan 8.150 nan 0.000 0.497 636 P HA 0.307 nan 4.420 nan 0.000 0.281 636 P C -1.101 176.252 177.300 0.088 0.000 1.264 636 P CA -0.537 62.586 63.100 0.039 0.000 0.824 636 P CB 0.711 32.417 31.700 0.011 0.000 1.092 637 D N 0.476 120.979 120.400 0.172 0.000 2.352 637 D HA 0.069 4.713 4.640 0.007 0.000 0.245 637 D C 0.770 177.231 176.300 0.269 0.000 1.224 637 D CA 0.003 54.163 54.000 0.267 0.000 0.879 637 D CB 0.306 41.406 40.800 0.500 0.000 1.057 637 D HN 0.138 nan 8.370 nan 0.000 0.491 638 K N 2.129 122.591 120.400 0.104 0.000 2.555 638 K HA -0.052 4.272 4.320 0.007 0.000 0.193 638 K C 0.470 177.043 176.600 -0.045 0.000 1.032 638 K CA 0.250 56.562 56.287 0.041 0.000 1.004 638 K CB 0.415 32.908 32.500 -0.012 0.000 0.804 638 K HN 0.372 nan 8.250 nan 0.000 0.496 639 D N 0.283 120.594 120.400 -0.150 0.000 2.224 639 D HA -0.093 4.551 4.640 0.007 0.000 0.205 639 D C 1.222 177.112 176.300 -0.683 0.000 0.965 639 D CA 0.860 54.513 54.000 -0.579 0.000 0.852 639 D CB -0.064 40.113 40.800 -1.037 0.000 0.947 639 D HN 0.128 nan 8.370 nan 0.000 0.494 640 F N 0.269 120.071 119.950 -0.246 0.000 2.216 640 F HA -0.081 4.450 4.527 0.006 0.000 0.300 640 F C 2.414 178.174 175.800 -0.068 0.000 1.085 640 F CA 0.753 58.745 58.000 -0.014 0.000 1.326 640 F CB -0.327 38.739 39.000 0.110 0.000 1.027 640 F HN -0.055 nan 8.300 nan 0.000 0.497 641 M N -0.111 119.538 119.600 0.082 0.000 2.134 641 M HA -0.093 4.391 4.480 0.007 0.000 0.262 641 M C 2.155 178.420 176.300 -0.058 0.000 1.076 641 M CA 1.710 57.017 55.300 0.011 0.000 1.143 641 M CB -0.265 32.334 32.600 -0.003 0.000 1.346 641 M HN 0.078 nan 8.290 nan 0.000 0.421 642 I N -0.328 120.172 120.570 -0.116 0.000 2.248 642 I HA -0.306 3.868 4.170 0.007 0.000 0.248 642 I C 2.188 178.225 176.117 -0.133 0.000 1.107 642 I CA 1.114 62.331 61.300 -0.139 0.000 1.373 642 I CB -0.460 37.431 38.000 -0.181 0.000 1.055 642 I HN 0.173 nan 8.210 nan 0.000 0.418 643 V N 0.573 120.384 119.914 -0.173 0.000 2.379 643 V HA -0.210 3.914 4.120 0.007 0.000 0.245 643 V C 2.632 178.710 176.094 -0.026 0.000 1.044 643 V CA 1.844 64.073 62.300 -0.118 0.000 1.036 643 V CB -0.648 31.078 31.823 -0.162 0.000 0.664 643 V HN 0.483 nan 8.190 nan 0.000 0.453 644 A N -0.364 122.456 122.820 -0.000 0.000 1.902 644 A HA -0.145 4.180 4.320 0.007 0.000 0.217 644 A C 2.182 179.761 177.584 -0.009 0.000 1.181 644 A CA 1.651 53.704 52.037 0.026 0.000 0.623 644 A CB -0.505 18.517 19.000 0.038 0.000 0.818 644 A HN 0.492 nan 8.150 nan 0.000 0.443 645 L N -0.554 120.650 121.223 -0.031 0.000 2.093 645 L HA -0.173 4.171 4.340 0.007 0.000 0.208 645 L C 1.800 178.655 176.870 -0.025 0.000 1.085 645 L CA 1.351 56.168 54.840 -0.039 0.000 0.755 645 L CB -0.571 41.455 42.059 -0.056 0.000 0.904 645 L HN 0.294 nan 8.230 nan 0.000 0.435 646 D N -0.313 120.070 120.400 -0.029 0.000 2.269 646 D HA -0.125 4.520 4.640 0.007 0.000 0.208 646 D C 1.962 178.256 176.300 -0.010 0.000 0.963 646 D CA 0.770 54.757 54.000 -0.023 0.000 0.864 646 D CB 0.130 40.907 40.800 -0.039 0.000 0.936 646 D HN 0.148 nan 8.370 nan 0.000 0.505 647 L N 0.067 121.293 121.223 0.004 0.000 2.162 647 L HA 0.088 4.432 4.340 0.007 0.000 0.205 647 L C 1.865 178.750 176.870 0.025 0.000 1.086 647 L CA 1.098 55.951 54.840 0.021 0.000 0.778 647 L CB -0.363 41.742 42.059 0.076 0.000 0.928 647 L HN -0.045 nan 8.230 nan 0.000 0.446 648 L N -0.915 120.313 121.223 0.008 0.000 2.093 648 L HA -0.154 4.191 4.340 0.007 0.000 0.208 648 L C 2.658 179.557 176.870 0.049 0.000 1.085 648 L CA 1.417 56.257 54.840 -0.001 0.000 0.755 648 L CB -0.623 41.386 42.059 -0.084 0.000 0.904 648 L HN 0.416 nan 8.230 nan 0.000 0.435 649 S N -0.137 115.585 115.700 0.038 0.000 2.428 649 S HA -0.085 4.389 4.470 0.007 0.000 0.230 649 S C 1.912 176.542 174.600 0.051 0.000 1.014 649 S CA 1.186 59.422 58.200 0.060 0.000 0.957 649 S CB -0.181 63.049 63.200 0.050 0.000 0.784 649 S HN 0.480 nan 8.310 nan 0.000 0.499 650 G N 0.789 109.600 108.800 0.017 0.000 2.494 650 G HA2 0.052 4.016 3.960 0.007 0.000 0.216 650 G HA3 0.052 4.016 3.960 0.007 0.000 0.216 650 G C 1.279 176.171 174.900 -0.013 0.000 1.140 650 G CA 0.485 45.577 45.100 -0.014 0.000 0.801 650 G HN 0.458 nan 8.290 nan 0.000 0.536 651 L N 1.416 122.656 121.223 0.027 0.000 2.056 651 L HA 0.241 4.585 4.340 0.007 0.000 0.207 651 L C 3.060 180.010 176.870 0.133 0.000 1.078 651 L CA 1.812 56.708 54.840 0.093 0.000 0.749 651 L CB -0.750 41.422 42.059 0.188 0.000 0.901 651 L HN 0.228 nan 8.230 nan 0.000 0.433 652 A N -1.049 121.855 122.820 0.140 0.000 1.902 652 A HA -0.260 4.064 4.320 0.007 0.000 0.217 652 A C 2.317 179.976 177.584 0.124 0.000 1.181 652 A CA 1.743 53.871 52.037 0.151 0.000 0.623 652 A CB -0.638 18.458 19.000 0.159 0.000 0.818 652 A HN 0.546 nan 8.150 nan 0.000 0.443 653 E N -0.665 119.596 120.200 0.101 0.000 2.150 653 E HA -0.071 4.283 4.350 0.007 0.000 0.193 653 E C 1.899 178.540 176.600 0.069 0.000 0.985 653 E CA 0.974 57.427 56.400 0.088 0.000 0.814 653 E CB -0.301 29.437 29.700 0.063 0.000 0.752 653 E HN 0.529 nan 8.360 nan 0.000 0.466 654 G N 0.523 109.358 108.800 0.059 0.000 2.417 654 G HA2 -0.122 3.842 3.960 0.007 0.000 0.212 654 G HA3 -0.122 3.842 3.960 0.007 0.000 0.212 654 G C 1.451 176.402 174.900 0.085 0.000 1.187 654 G CA 0.203 45.335 45.100 0.053 0.000 0.804 654 G HN 0.172 nan 8.290 nan 0.000 0.534 655 L N 1.144 122.433 121.223 0.111 0.000 2.341 655 L HA 0.219 4.563 4.340 0.007 0.000 0.214 655 L C 1.852 178.780 176.870 0.097 0.000 1.115 655 L CA 0.086 54.995 54.840 0.115 0.000 0.820 655 L CB -0.780 41.363 42.059 0.140 0.000 0.944 655 L HN 0.251 nan 8.230 nan 0.000 0.452 656 G N 0.689 109.550 108.800 0.102 0.000 2.721 656 G HA2 -0.023 3.941 3.960 0.007 0.000 0.342 656 G HA3 -0.023 3.941 3.960 0.007 0.000 0.342 656 G C 1.081 176.032 174.900 0.086 0.000 0.146 656 G CA 0.661 45.820 45.100 0.098 0.000 1.204 656 G HN 0.645 nan 8.290 nan 0.000 0.499 657 G N 2.168 111.022 108.800 0.091 0.000 2.493 657 G HA2 -0.311 3.653 3.960 0.007 0.000 0.206 657 G HA3 -0.311 3.653 3.960 0.007 0.000 0.206 657 G C 1.257 176.199 174.900 0.070 0.000 1.109 657 G CA 0.675 45.821 45.100 0.076 0.000 0.689 657 G HN 0.726 nan 8.290 nan 0.000 0.516 658 N N 0.574 119.313 118.700 0.065 0.000 2.331 658 N HA 0.048 4.792 4.740 0.007 0.000 0.180 658 N C 2.002 177.537 175.510 0.042 0.000 1.019 658 N CA 1.278 54.358 53.050 0.050 0.000 0.881 658 N CB -0.006 38.512 38.487 0.052 0.000 0.972 658 N HN 0.524 nan 8.380 nan 0.000 0.435 659 I N 2.057 122.667 120.570 0.067 0.000 2.493 659 I HA -0.169 4.005 4.170 0.007 0.000 0.254 659 I C 2.260 178.389 176.117 0.021 0.000 1.160 659 I CA 0.878 62.209 61.300 0.051 0.000 1.445 659 I CB -0.254 37.827 38.000 0.135 0.000 1.086 659 I HN 0.064 nan 8.210 nan 0.000 0.433 660 E N 0.779 121.029 120.200 0.084 0.000 2.119 660 E HA -0.431 3.923 4.350 0.007 0.000 0.221 660 E C 2.094 178.724 176.600 0.049 0.000 1.062 660 E CA 3.131 59.623 56.400 0.155 0.000 0.894 660 E CB -0.514 29.289 29.700 0.172 0.000 0.785 660 E HN 0.666 nan 8.360 nan 0.000 0.472 661 Q N 0.822 120.621 119.800 -0.002 0.000 2.045 661 Q HA -0.162 4.182 4.340 0.007 0.000 0.206 661 Q C 2.687 178.587 176.000 -0.166 0.000 0.991 661 Q CA 2.215 57.977 55.803 -0.068 0.000 0.851 661 Q CB -1.144 27.562 28.738 -0.054 0.000 0.911 661 Q HN 0.496 nan 8.270 nan 0.000 0.418 662 L N -0.015 121.056 121.223 -0.253 0.000 2.012 662 L HA -0.192 4.152 4.340 0.007 0.000 0.210 662 L C 2.664 179.263 176.870 -0.452 0.000 1.073 662 L CA 1.422 55.960 54.840 -0.503 0.000 0.748 662 L CB -0.584 40.903 42.059 -0.953 0.000 0.891 662 L HN 0.375 nan 8.230 nan 0.000 0.431 663 V N 0.026 119.777 119.914 -0.272 0.000 2.287 663 V HA -0.363 3.762 4.120 0.007 0.000 0.248 663 V C 2.765 178.768 176.094 -0.151 0.000 1.053 663 V CA 1.968 64.240 62.300 -0.045 0.000 1.027 663 V CB -0.966 30.897 31.823 0.068 0.000 0.646 663 V HN 0.523 nan 8.190 nan 0.000 0.447 664 A N 0.170 122.778 122.820 -0.352 0.000 1.865 664 A HA -0.269 4.055 4.320 0.007 0.000 0.217 664 A C 2.315 179.783 177.584 -0.194 0.000 1.191 664 A CA 2.186 53.956 52.037 -0.446 0.000 0.623 664 A CB -0.533 18.170 19.000 -0.494 0.000 0.826 664 A HN 0.573 nan 8.150 nan 0.000 0.444 665 R N 0.417 120.834 120.500 -0.138 0.000 2.189 665 R HA 0.023 4.367 4.340 0.007 0.000 0.218 665 R C 1.091 177.382 176.300 -0.015 0.000 1.074 665 R CA 0.733 56.792 56.100 -0.069 0.000 0.991 665 R CB -0.286 29.976 30.300 -0.064 0.000 0.883 665 R HN 0.670 nan 8.270 nan 0.000 0.457 666 S N 1.450 117.160 115.700 0.017 0.000 2.686 666 S HA 0.111 4.585 4.470 0.007 0.000 0.270 666 S C 0.533 175.182 174.600 0.083 0.000 1.194 666 S CA -0.844 57.422 58.200 0.110 0.000 0.990 666 S CB 0.791 64.173 63.200 0.304 0.000 1.029 666 S HN 0.300 nan 8.310 nan 0.000 0.560 667 N N -0.158 118.600 118.700 0.096 0.000 2.328 667 N HA 0.087 4.831 4.740 0.007 0.000 0.247 667 N C 0.762 176.327 175.510 0.092 0.000 1.165 667 N CA -0.249 52.846 53.050 0.076 0.000 0.873 667 N CB -0.745 37.776 38.487 0.057 0.000 1.125 667 N HN 0.617 nan 8.380 nan 0.000 0.513 668 I N -0.065 120.576 120.570 0.118 0.000 2.145 668 I HA -0.289 3.885 4.170 0.007 0.000 0.244 668 I C 2.185 178.375 176.117 0.121 0.000 1.075 668 I CA 1.361 62.723 61.300 0.103 0.000 1.332 668 I CB -0.716 37.358 38.000 0.123 0.000 1.033 668 I HN 0.032 nan 8.210 nan 0.000 0.410 669 L N 0.178 121.493 121.223 0.154 0.000 2.083 669 L HA -0.168 4.176 4.340 0.007 0.000 0.209 669 L C 2.632 179.657 176.870 0.258 0.000 1.083 669 L CA 1.818 56.801 54.840 0.238 0.000 0.752 669 L CB -1.148 41.056 42.059 0.241 0.000 0.899 669 L HN 0.359 nan 8.230 nan 0.000 0.433 670 T N 0.201 114.852 114.554 0.162 0.000 2.746 670 T HA -0.143 4.211 4.350 0.007 0.000 0.267 670 T C 1.960 176.774 174.700 0.190 0.000 1.039 670 T CA 1.195 63.393 62.100 0.163 0.000 1.142 670 T CB -0.283 68.643 68.868 0.097 0.000 0.866 670 T HN 0.192 nan 8.240 nan 0.000 0.444 671 L N 0.247 121.546 121.223 0.127 0.000 2.027 671 L HA -0.040 4.304 4.340 0.007 0.000 0.206 671 L C 2.803 179.718 176.870 0.074 0.000 1.074 671 L CA 1.261 56.149 54.840 0.080 0.000 0.745 671 L CB -0.653 41.432 42.059 0.045 0.000 0.898 671 L HN 0.253 nan 8.230 nan 0.000 0.433 672 M N -1.350 118.305 119.600 0.092 0.000 2.144 672 M HA -0.301 4.183 4.480 0.007 0.000 0.260 672 M C 2.370 178.725 176.300 0.093 0.000 1.067 672 M CA 2.048 57.371 55.300 0.039 0.000 1.095 672 M CB -0.547 32.065 32.600 0.021 0.000 1.365 672 M HN 0.231 nan 8.290 nan 0.000 0.406 673 Y N 0.668 121.049 120.300 0.135 0.000 2.293 673 Y HA -0.225 4.329 4.550 0.007 0.000 0.291 673 Y C 2.458 178.402 175.900 0.074 0.000 1.137 673 Y CA 1.333 59.559 58.100 0.209 0.000 1.202 673 Y CB 0.104 38.731 38.460 0.279 0.000 0.990 673 Y HN 0.249 nan 8.280 nan 0.000 0.537 674 Q N -1.110 118.682 119.800 -0.012 0.000 2.123 674 Q HA -0.189 4.155 4.340 0.007 0.000 0.199 674 Q C 2.365 178.280 176.000 -0.140 0.000 0.966 674 Q CA 1.485 57.217 55.803 -0.119 0.000 0.845 674 Q CB -0.182 28.530 28.738 -0.044 0.000 0.907 674 Q HN 0.540 nan 8.270 nan 0.000 0.439 675 C N 0.239 119.469 119.300 -0.118 0.000 2.453 675 C HA -0.091 4.373 4.460 0.007 0.000 0.277 675 C C 2.565 177.402 174.990 -0.255 0.000 1.262 675 C CA 0.550 59.471 59.018 -0.163 0.000 1.718 675 C CB -0.772 26.877 27.740 -0.152 0.000 2.031 675 C HN 0.536 nan 8.230 nan 0.000 0.480 676 M N 0.362 119.776 119.600 -0.310 0.000 2.346 676 M HA -0.216 4.269 4.480 0.007 0.000 0.263 676 M C 2.152 178.298 176.300 -0.257 0.000 1.064 676 M CA 1.601 56.630 55.300 -0.453 0.000 1.083 676 M CB -0.411 31.987 32.600 -0.336 0.000 1.399 676 M HN 0.518 nan 8.290 nan 0.000 0.435 677 Q N -0.568 119.100 119.800 -0.220 0.000 2.402 677 Q HA 0.019 4.363 4.340 0.007 0.000 0.206 677 Q C 0.407 176.319 176.000 -0.146 0.000 0.919 677 Q CA -0.082 55.616 55.803 -0.176 0.000 0.923 677 Q CB 0.147 28.748 28.738 -0.228 0.000 1.048 677 Q HN 0.420 nan 8.270 nan 0.000 0.515 678 D N 1.965 122.272 120.400 -0.156 0.000 2.506 678 D HA -0.097 4.547 4.640 0.007 0.000 0.234 678 D C 0.891 177.114 176.300 -0.128 0.000 1.143 678 D CA 0.394 54.316 54.000 -0.129 0.000 0.871 678 D CB 0.909 41.632 40.800 -0.129 0.000 1.190 678 D HN 0.059 nan 8.370 nan 0.000 0.459 679 K N 3.539 123.878 120.400 -0.102 0.000 2.439 679 K HA -0.076 4.248 4.320 0.007 0.000 0.197 679 K C 1.043 177.570 176.600 -0.122 0.000 1.041 679 K CA 0.301 56.528 56.287 -0.101 0.000 0.970 679 K CB -0.137 32.326 32.500 -0.061 0.000 0.773 679 K HN 0.451 nan 8.250 nan 0.000 0.479 680 M N 2.554 122.085 119.600 -0.115 0.000 2.084 680 M HA 0.146 4.630 4.480 0.007 0.000 0.351 680 M C -1.884 174.327 176.300 -0.149 0.000 1.240 680 M CA -2.328 52.906 55.300 -0.109 0.000 1.083 680 M CB 1.498 34.052 32.600 -0.076 0.000 1.593 680 M HN -0.225 nan 8.290 nan 0.000 0.463 681 P HA -0.200 nan 4.420 nan 0.000 0.216 681 P C 0.405 177.642 177.300 -0.103 0.000 1.157 681 P CA 1.591 64.567 63.100 -0.206 0.000 0.880 681 P CB 0.211 31.826 31.700 -0.141 0.000 0.791 682 E N -0.895 119.262 120.200 -0.071 0.000 2.130 682 E HA -0.138 4.216 4.350 0.007 0.000 0.196 682 E C 1.940 178.486 176.600 -0.091 0.000 0.998 682 E CA 1.038 57.400 56.400 -0.063 0.000 0.806 682 E CB -1.053 28.609 29.700 -0.064 0.000 0.738 682 E HN 0.054 nan 8.360 nan 0.000 0.459 683 V N 0.631 120.476 119.914 -0.115 0.000 2.453 683 V HA -0.203 3.922 4.120 0.007 0.000 0.247 683 V C 2.103 178.079 176.094 -0.196 0.000 1.048 683 V CA 1.668 63.886 62.300 -0.137 0.000 1.049 683 V CB -0.368 31.378 31.823 -0.128 0.000 0.672 683 V HN 0.204 nan 8.190 nan 0.000 0.457 684 R N -0.036 120.334 120.500 -0.218 0.000 2.066 684 R HA -0.191 4.153 4.340 0.007 0.000 0.232 684 R C 2.423 178.569 176.300 -0.257 0.000 1.131 684 R CA 1.655 57.545 56.100 -0.350 0.000 0.955 684 R CB -0.476 29.695 30.300 -0.215 0.000 0.851 684 R HN 0.601 nan 8.270 nan 0.000 0.432 685 Q N 0.769 120.544 119.800 -0.043 0.000 2.112 685 Q HA -0.183 4.161 4.340 0.007 0.000 0.206 685 Q C 1.758 177.774 176.000 0.027 0.000 0.987 685 Q CA 2.174 58.016 55.803 0.065 0.000 0.858 685 Q CB 0.024 28.787 28.738 0.042 0.000 0.905 685 Q HN 0.185 nan 8.270 nan 0.000 0.420 686 S N 0.327 115.996 115.700 -0.052 0.000 2.371 686 S HA -0.106 4.369 4.470 0.007 0.000 0.224 686 S C 2.082 176.649 174.600 -0.056 0.000 1.029 686 S CA 1.097 59.269 58.200 -0.046 0.000 0.978 686 S CB -0.123 63.034 63.200 -0.070 0.000 0.833 686 S HN 0.645 nan 8.310 nan 0.000 0.466 687 S N 1.467 117.071 115.700 -0.159 0.000 2.368 687 S HA -0.005 4.469 4.470 0.007 0.000 0.224 687 S C 1.636 176.148 174.600 -0.146 0.000 1.029 687 S CA 0.850 58.927 58.200 -0.205 0.000 0.988 687 S CB -0.979 62.023 63.200 -0.331 0.000 0.838 687 S HN 0.515 nan 8.310 nan 0.000 0.462 688 F N 2.522 122.463 119.950 -0.015 0.000 2.171 688 F HA -0.057 4.475 4.527 0.007 0.000 0.300 688 F C 2.957 178.835 175.800 0.129 0.000 1.090 688 F CA 0.606 58.614 58.000 0.014 0.000 1.293 688 F CB -0.526 38.496 39.000 0.037 0.000 1.013 688 F HN 0.298 nan 8.300 nan 0.000 0.486 689 A N 0.183 123.196 122.820 0.321 0.000 1.877 689 A HA -0.212 4.112 4.320 0.007 0.000 0.216 689 A C 2.034 179.818 177.584 0.333 0.000 1.186 689 A CA 1.642 53.885 52.037 0.344 0.000 0.620 689 A CB -1.009 18.076 19.000 0.142 0.000 0.822 689 A HN 0.361 nan 8.150 nan 0.000 0.443 690 L N -0.768 120.554 121.223 0.165 0.000 2.083 690 L HA -0.094 4.250 4.340 0.007 0.000 0.209 690 L C 2.222 179.159 176.870 0.112 0.000 1.083 690 L CA 1.952 56.864 54.840 0.120 0.000 0.752 690 L CB -0.611 41.472 42.059 0.041 0.000 0.899 690 L HN 0.368 nan 8.230 nan 0.000 0.433 691 L N -0.149 121.114 121.223 0.066 0.000 2.012 691 L HA -0.053 4.291 4.340 0.007 0.000 0.210 691 L C 2.330 179.191 176.870 -0.016 0.000 1.073 691 L CA 2.246 57.076 54.840 -0.017 0.000 0.748 691 L CB -1.448 40.563 42.059 -0.080 0.000 0.891 691 L HN 0.295 nan 8.230 nan 0.000 0.431 692 G N -1.427 107.340 108.800 -0.055 0.000 2.408 692 G HA2 -0.247 3.717 3.960 0.007 0.000 0.217 692 G HA3 -0.247 3.717 3.960 0.007 0.000 0.217 692 G C 1.343 176.156 174.900 -0.145 0.000 1.150 692 G CA 0.752 45.551 45.100 -0.501 0.000 0.776 692 G HN 0.427 nan 8.290 nan 0.000 0.542 693 D N 0.399 120.952 120.400 0.254 0.000 2.117 693 D HA -0.036 4.608 4.640 0.007 0.000 0.197 693 D C 2.550 178.951 176.300 0.168 0.000 0.987 693 D CA 0.561 54.732 54.000 0.285 0.000 0.829 693 D CB -0.026 40.935 40.800 0.269 0.000 0.961 693 D HN 0.283 nan 8.370 nan 0.000 0.460 694 L N 0.329 121.636 121.223 0.140 0.000 2.341 694 L HA -0.043 4.301 4.340 0.007 0.000 0.214 694 L C 2.324 179.294 176.870 0.167 0.000 1.115 694 L CA 0.608 55.540 54.840 0.154 0.000 0.820 694 L CB -0.166 41.986 42.059 0.155 0.000 0.944 694 L HN -0.052 nan 8.230 nan 0.000 0.452 695 T N -0.255 114.376 114.554 0.128 0.000 2.867 695 T HA -0.121 4.233 4.350 0.007 0.000 0.268 695 T C 1.859 176.610 174.700 0.086 0.000 1.057 695 T CA 1.075 63.274 62.100 0.164 0.000 1.136 695 T CB 0.040 68.903 68.868 -0.007 0.000 0.874 695 T HN 0.325 nan 8.240 nan 0.000 0.466 696 K N 0.978 121.410 120.400 0.053 0.000 2.137 696 K HA 0.242 4.566 4.320 0.007 0.000 0.202 696 K C 2.640 179.296 176.600 0.093 0.000 1.052 696 K CA 0.891 57.211 56.287 0.054 0.000 0.961 696 K CB -0.096 32.450 32.500 0.077 0.000 0.741 696 K HN 0.249 nan 8.250 nan 0.000 0.452 697 A N 1.455 124.347 122.820 0.121 0.000 1.874 697 A HA -0.086 4.238 4.320 0.007 0.000 0.214 697 A C 1.622 179.279 177.584 0.122 0.000 1.189 697 A CA 1.221 53.331 52.037 0.122 0.000 0.615 697 A CB -0.254 18.830 19.000 0.139 0.000 0.830 697 A HN 0.570 nan 8.150 nan 0.000 0.443 698 C N -4.103 115.284 119.300 0.146 0.000 3.319 698 C HA 0.534 4.998 4.460 0.007 0.000 0.200 698 C C 0.827 175.873 174.990 0.092 0.000 1.332 698 C CA -0.936 58.146 59.018 0.106 0.000 1.170 698 C CB -1.844 26.013 27.740 0.195 0.000 1.855 698 C HN 0.377 nan 8.230 nan 0.000 0.593 699 F N 2.845 122.779 119.950 -0.027 0.000 2.250 699 F HA -0.111 4.420 4.527 0.007 0.000 0.301 699 F C 2.257 178.018 175.800 -0.065 0.000 1.077 699 F CA 2.177 60.165 58.000 -0.020 0.000 1.348 699 F CB -0.013 38.977 39.000 -0.018 0.000 1.040 699 F HN 0.522 nan 8.300 nan 0.000 0.509 700 Q N -0.437 119.247 119.800 -0.193 0.000 2.142 700 Q HA -0.286 4.058 4.340 0.007 0.000 0.213 700 Q C 1.970 177.723 176.000 -0.411 0.000 1.004 700 Q CA 2.471 58.051 55.803 -0.372 0.000 0.883 700 Q CB -0.837 27.582 28.738 -0.532 0.000 0.939 700 Q HN 0.526 nan 8.270 nan 0.000 0.413 701 H N -1.418 117.590 119.070 -0.105 0.000 2.525 701 H HA 0.145 4.705 4.556 0.007 0.000 0.275 701 H C 1.967 177.227 175.328 -0.113 0.000 0.984 701 H CA 0.926 56.923 56.048 -0.085 0.000 1.264 701 H CB 0.207 29.962 29.762 -0.011 0.000 1.432 701 H HN 0.106 nan 8.280 nan 0.000 0.549 702 V N 1.116 120.981 119.914 -0.082 0.000 2.788 702 V HA -0.132 3.992 4.120 0.007 0.000 0.251 702 V C 2.561 178.482 176.094 -0.288 0.000 1.068 702 V CA 1.113 63.390 62.300 -0.038 0.000 1.090 702 V CB -0.237 31.676 31.823 0.151 0.000 0.710 702 V HN 0.239 nan 8.190 nan 0.000 0.467 703 K N 0.924 120.874 120.400 -0.749 0.000 2.020 703 K HA -0.202 4.122 4.320 0.007 0.000 0.212 703 K C -0.264 176.142 176.600 -0.323 0.000 1.050 703 K CA 2.105 57.943 56.287 -0.749 0.000 0.929 703 K CB -1.138 30.854 32.500 -0.846 0.000 0.714 703 K HN 0.373 nan 8.250 nan 0.000 0.443 704 P HA -0.135 nan 4.420 nan 0.000 0.220 704 P C 0.600 177.753 177.300 -0.245 0.000 1.144 704 P CA 1.072 64.061 63.100 -0.184 0.000 0.800 704 P CB 0.025 31.642 31.700 -0.138 0.000 0.772 705 C N -2.053 117.049 119.300 -0.330 0.000 2.791 705 C HA 0.169 4.633 4.460 0.007 0.000 0.270 705 C C 2.392 176.976 174.990 -0.676 0.000 1.257 705 C CA -0.294 58.348 59.018 -0.627 0.000 1.699 705 C CB -1.471 25.728 27.740 -0.902 0.000 1.904 705 C HN 0.169 nan 8.230 nan 0.000 0.603 706 I N 2.118 122.497 120.570 -0.319 0.000 2.194 706 I HA -0.228 3.947 4.170 0.007 0.000 0.246 706 I C 2.737 178.660 176.117 -0.323 0.000 1.093 706 I CA 2.080 63.253 61.300 -0.212 0.000 1.355 706 I CB -1.449 36.461 38.000 -0.149 0.000 1.046 706 I HN 0.310 nan 8.210 nan 0.000 0.413 707 A N 0.097 122.773 122.820 -0.240 0.000 1.978 707 A HA -0.223 4.101 4.320 0.007 0.000 0.220 707 A C 2.022 179.550 177.584 -0.094 0.000 1.170 707 A CA 1.941 53.936 52.037 -0.070 0.000 0.636 707 A CB -0.507 18.517 19.000 0.040 0.000 0.810 707 A HN 0.413 nan 8.150 nan 0.000 0.448 708 D N -1.135 119.101 120.400 -0.273 0.000 2.137 708 D HA -0.022 4.622 4.640 0.007 0.000 0.202 708 D C 1.751 178.027 176.300 -0.041 0.000 0.970 708 D CA 0.901 54.718 54.000 -0.305 0.000 0.837 708 D CB -0.299 40.041 40.800 -0.766 0.000 0.981 708 D HN 0.603 nan 8.370 nan 0.000 0.475 709 F N 0.307 120.249 119.950 -0.013 0.000 2.146 709 F HA -0.133 4.398 4.527 0.007 0.000 0.298 709 F C 2.519 178.376 175.800 0.095 0.000 1.096 709 F CA 0.173 58.239 58.000 0.109 0.000 1.275 709 F CB -0.123 38.923 39.000 0.076 0.000 1.008 709 F HN -0.129 nan 8.300 nan 0.000 0.480 710 M N 0.668 120.369 119.600 0.169 0.000 2.108 710 M HA -0.106 4.378 4.480 0.007 0.000 0.261 710 M C -1.046 175.332 176.300 0.130 0.000 1.066 710 M CA 2.022 57.368 55.300 0.077 0.000 1.107 710 M CB -1.429 31.108 32.600 -0.105 0.000 1.356 710 M HN -0.197 nan 8.290 nan 0.000 0.406 711 P HA -0.147 nan 4.420 nan 0.000 0.216 711 P C 1.526 178.925 177.300 0.164 0.000 1.153 711 P CA 1.529 64.725 63.100 0.160 0.000 0.858 711 P CB -0.245 31.554 31.700 0.166 0.000 0.789 712 I N -1.765 118.942 120.570 0.229 0.000 2.286 712 I HA -0.183 3.991 4.170 0.007 0.000 0.245 712 I C 2.299 178.527 176.117 0.186 0.000 1.104 712 I CA 1.089 62.535 61.300 0.244 0.000 1.397 712 I CB -0.717 37.494 38.000 0.351 0.000 1.072 712 I HN -0.096 nan 8.210 nan 0.000 0.417 713 L N 0.883 122.180 121.223 0.123 0.000 2.013 713 L HA -0.203 4.142 4.340 0.007 0.000 0.212 713 L C 2.747 179.571 176.870 -0.076 0.000 1.073 713 L CA 1.909 56.677 54.840 -0.121 0.000 0.753 713 L CB -1.236 40.767 42.059 -0.093 0.000 0.890 713 L HN 0.321 nan 8.230 nan 0.000 0.432 714 G N -1.195 107.617 108.800 0.021 0.000 2.469 714 G HA2 -0.274 3.690 3.960 0.007 0.000 0.219 714 G HA3 -0.274 3.690 3.960 0.007 0.000 0.219 714 G C 1.564 176.491 174.900 0.046 0.000 1.150 714 G CA 1.431 46.556 45.100 0.042 0.000 0.763 714 G HN 0.324 nan 8.290 nan 0.000 0.561 715 T N 1.028 115.622 114.554 0.066 0.000 2.746 715 T HA -0.091 4.263 4.350 0.007 0.000 0.267 715 T C 2.038 176.780 174.700 0.070 0.000 1.039 715 T CA 1.003 63.148 62.100 0.075 0.000 1.142 715 T CB -0.194 68.730 68.868 0.093 0.000 0.866 715 T HN 0.246 nan 8.240 nan 0.000 0.444 716 N N 1.269 119.997 118.700 0.046 0.000 2.449 716 N HA 0.104 4.848 4.740 0.007 0.000 0.191 716 N C -0.006 175.507 175.510 0.005 0.000 1.161 716 N CA 0.100 53.177 53.050 0.045 0.000 0.863 716 N CB -0.056 38.480 38.487 0.081 0.000 0.980 716 N HN 0.419 nan 8.380 nan 0.000 0.458 717 L N 1.485 122.705 121.223 -0.005 0.000 2.416 717 L HA 0.134 4.478 4.340 0.007 0.000 0.243 717 L C 0.268 177.170 176.870 0.054 0.000 1.373 717 L CA 0.063 54.909 54.840 0.009 0.000 1.227 717 L CB -0.885 41.176 42.059 0.004 0.000 1.428 717 L HN 0.041 nan 8.230 nan 0.000 0.425 718 N N 1.541 120.296 118.700 0.092 0.000 2.519 718 N HA 0.273 5.017 4.740 0.007 0.000 0.286 718 N C -2.229 173.349 175.510 0.113 0.000 1.079 718 N CA -1.486 51.634 53.050 0.117 0.000 0.878 718 N CB 2.405 41.006 38.487 0.189 0.000 1.375 718 N HN -0.063 nan 8.380 nan 0.000 0.514 719 P HA -0.031 nan 4.420 nan 0.000 0.225 719 P C 1.186 178.459 177.300 -0.046 0.000 1.148 719 P CA 1.054 64.163 63.100 0.014 0.000 0.779 719 P CB 0.212 31.911 31.700 -0.002 0.000 0.780 720 E N -0.148 119.976 120.200 -0.126 0.000 2.130 720 E HA -0.184 4.170 4.350 0.007 0.000 0.196 720 E C 0.529 176.805 176.600 -0.540 0.000 0.998 720 E CA 1.052 57.223 56.400 -0.382 0.000 0.806 720 E CB -1.535 27.826 29.700 -0.565 0.000 0.738 720 E HN 0.354 nan 8.360 nan 0.000 0.459 721 F N -0.653 119.310 119.950 0.021 0.000 2.307 721 F HA 0.459 4.990 4.527 0.007 0.000 0.369 721 F C 1.125 176.941 175.800 0.026 0.000 1.076 721 F CA -0.860 57.156 58.000 0.026 0.000 1.149 721 F CB 0.794 39.817 39.000 0.039 0.000 1.410 721 F HN -0.034 nan 8.300 nan 0.000 0.481 722 I N 0.515 121.156 120.570 0.119 0.000 2.127 722 I HA -0.324 3.850 4.170 0.007 0.000 0.241 722 I C 2.217 178.390 176.117 0.094 0.000 1.075 722 I CA 1.569 62.915 61.300 0.077 0.000 1.334 722 I CB -0.165 37.854 38.000 0.033 0.000 1.040 722 I HN 0.504 nan 8.210 nan 0.000 0.405 723 S N -0.075 115.687 115.700 0.104 0.000 2.368 723 S HA -0.147 4.327 4.470 0.007 0.000 0.225 723 S C 2.056 176.730 174.600 0.123 0.000 1.030 723 S CA 1.351 59.605 58.200 0.090 0.000 0.999 723 S CB -0.303 62.941 63.200 0.074 0.000 0.844 723 S HN 0.238 nan 8.310 nan 0.000 0.459 724 V N 0.515 120.528 119.914 0.166 0.000 2.358 724 V HA -0.200 3.924 4.120 0.007 0.000 0.246 724 V C 2.522 178.705 176.094 0.147 0.000 1.047 724 V CA 1.467 63.894 62.300 0.211 0.000 1.035 724 V CB -0.776 31.166 31.823 0.198 0.000 0.658 724 V HN 0.661 nan 8.190 nan 0.000 0.452 725 C N 0.418 119.792 119.300 0.123 0.000 2.413 725 C HA -0.211 4.253 4.460 0.007 0.000 0.277 725 C C 2.779 177.790 174.990 0.036 0.000 1.228 725 C CA 1.928 60.982 59.018 0.060 0.000 1.731 725 C CB -1.389 26.397 27.740 0.077 0.000 2.042 725 C HN 0.760 nan 8.230 nan 0.000 0.468 726 N N 0.634 119.371 118.700 0.062 0.000 2.036 726 N HA -0.158 4.586 4.740 0.007 0.000 0.195 726 N C 1.388 176.968 175.510 0.117 0.000 1.037 726 N CA 2.329 55.420 53.050 0.067 0.000 0.855 726 N CB -0.201 38.314 38.487 0.046 0.000 1.033 726 N HN 0.538 nan 8.380 nan 0.000 0.423 727 N N 0.070 118.853 118.700 0.139 0.000 2.188 727 N HA -0.042 4.702 4.740 0.007 0.000 0.184 727 N C 1.480 177.086 175.510 0.160 0.000 1.018 727 N CA 1.147 54.347 53.050 0.249 0.000 0.858 727 N CB -0.639 38.021 38.487 0.289 0.000 0.989 727 N HN 0.380 nan 8.380 nan 0.000 0.426 728 A N 0.500 123.244 122.820 -0.127 0.000 1.858 728 A HA -0.144 4.180 4.320 0.007 0.000 0.216 728 A C 2.331 179.800 177.584 -0.191 0.000 1.190 728 A CA 2.143 53.891 52.037 -0.481 0.000 0.617 728 A CB -1.310 17.274 19.000 -0.694 0.000 0.827 728 A HN 0.287 nan 8.150 nan 0.000 0.443 729 T N -1.343 113.166 114.554 -0.074 0.000 2.624 729 T HA -0.268 4.086 4.350 0.007 0.000 0.268 729 T C 1.474 176.203 174.700 0.049 0.000 1.041 729 T CA 1.891 63.986 62.100 -0.009 0.000 1.159 729 T CB -0.481 68.404 68.868 0.027 0.000 0.863 729 T HN 0.733 nan 8.240 nan 0.000 0.434 730 W N 2.145 123.415 121.300 -0.050 0.000 2.318 730 W HA -0.151 4.513 4.660 0.006 0.000 0.313 730 W C 2.574 179.078 176.519 -0.025 0.000 1.221 730 W CA 1.304 58.633 57.345 -0.027 0.000 1.266 730 W CB -0.800 28.654 29.460 -0.010 0.000 1.150 730 W HN 0.273 nan 8.180 nan 0.000 0.496 731 A N 0.127 122.793 122.820 -0.256 0.000 1.898 731 A HA -0.158 4.166 4.320 0.007 0.000 0.216 731 A C 2.041 179.421 177.584 -0.341 0.000 1.181 731 A CA 1.995 53.755 52.037 -0.461 0.000 0.620 731 A CB -1.002 17.884 19.000 -0.192 0.000 0.819 731 A HN 0.377 nan 8.150 nan 0.000 0.442 732 I N -0.046 120.398 120.570 -0.210 0.000 2.127 732 I HA -0.248 3.926 4.170 0.007 0.000 0.241 732 I C 2.771 178.794 176.117 -0.157 0.000 1.075 732 I CA 1.365 62.579 61.300 -0.144 0.000 1.334 732 I CB -0.826 37.119 38.000 -0.092 0.000 1.040 732 I HN 0.372 nan 8.210 nan 0.000 0.405 733 G N 0.409 109.116 108.800 -0.155 0.000 2.529 733 G HA2 -0.285 3.679 3.960 0.007 0.000 0.219 733 G HA3 -0.285 3.679 3.960 0.007 0.000 0.219 733 G C 1.564 176.344 174.900 -0.199 0.000 1.177 733 G CA 0.914 45.937 45.100 -0.128 0.000 0.773 733 G HN 0.314 nan 8.290 nan 0.000 0.573 734 E N 0.315 120.291 120.200 -0.372 0.000 2.110 734 E HA -0.072 4.282 4.350 0.007 0.000 0.193 734 E C 2.613 179.015 176.600 -0.330 0.000 0.988 734 E CA 0.512 56.672 56.400 -0.400 0.000 0.804 734 E CB -0.228 29.057 29.700 -0.691 0.000 0.745 734 E HN 0.554 nan 8.360 nan 0.000 0.458 735 I N 1.366 121.760 120.570 -0.294 0.000 2.113 735 I HA -0.313 3.861 4.170 0.007 0.000 0.238 735 I C 2.668 178.629 176.117 -0.261 0.000 1.070 735 I CA 1.494 62.634 61.300 -0.266 0.000 1.332 735 I CB -0.440 37.491 38.000 -0.115 0.000 1.044 735 I HN 0.093 nan 8.210 nan 0.000 0.402 736 S N 1.440 117.054 115.700 -0.144 0.000 2.372 736 S HA -0.252 4.222 4.470 0.007 0.000 0.227 736 S C 2.058 176.605 174.600 -0.088 0.000 1.044 736 S CA 1.427 59.583 58.200 -0.073 0.000 1.050 736 S CB -0.844 62.343 63.200 -0.021 0.000 0.901 736 S HN 0.275 nan 8.310 nan 0.000 0.447 737 I N 2.191 122.694 120.570 -0.112 0.000 2.194 737 I HA -0.149 4.025 4.170 0.007 0.000 0.246 737 I C 2.773 178.793 176.117 -0.162 0.000 1.093 737 I CA 1.442 62.687 61.300 -0.092 0.000 1.355 737 I CB -1.570 36.371 38.000 -0.099 0.000 1.046 737 I HN 0.429 nan 8.210 nan 0.000 0.413 738 Q N 0.067 119.653 119.800 -0.356 0.000 2.311 738 Q HA 0.034 4.378 4.340 0.007 0.000 0.203 738 Q C 0.821 176.604 176.000 -0.360 0.000 0.954 738 Q CA 0.641 56.111 55.803 -0.555 0.000 0.885 738 Q CB 0.000 27.906 28.738 -1.387 0.000 0.963 738 Q HN 0.589 nan 8.270 nan 0.000 0.471 739 M N -1.548 117.923 119.600 -0.215 0.000 2.018 739 M HA 0.559 5.044 4.480 0.007 0.000 0.311 739 M C 0.700 177.016 176.300 0.027 0.000 0.928 739 M CA -0.573 54.733 55.300 0.010 0.000 0.911 739 M CB 1.442 34.133 32.600 0.151 0.000 1.447 739 M HN -0.131 nan 8.290 nan 0.000 0.407 740 G N 3.582 112.399 108.800 0.029 0.000 2.509 740 G HA2 -0.159 3.805 3.960 0.007 0.000 0.180 740 G HA3 -0.159 3.805 3.960 0.007 0.000 0.180 740 G C 1.028 175.942 174.900 0.024 0.000 1.446 740 G CA 1.234 46.348 45.100 0.024 0.000 0.888 740 G HN 0.940 nan 8.290 nan 0.000 0.536 741 I N -1.551 119.027 120.570 0.013 0.000 2.335 741 I HA -0.037 4.137 4.170 0.007 0.000 0.251 741 I C 2.385 178.520 176.117 0.030 0.000 1.129 741 I CA 2.109 63.414 61.300 0.007 0.000 1.402 741 I CB -0.502 37.495 38.000 -0.005 0.000 1.069 741 I HN 0.357 nan 8.210 nan 0.000 0.424 742 E N 0.713 120.946 120.200 0.056 0.000 2.333 742 E HA -0.247 4.107 4.350 0.007 0.000 0.200 742 E C 1.976 178.665 176.600 0.148 0.000 1.010 742 E CA 1.113 57.568 56.400 0.091 0.000 0.841 742 E CB -0.091 29.683 29.700 0.123 0.000 0.757 742 E HN 0.445 nan 8.360 nan 0.000 0.508 743 M N 0.370 120.055 119.600 0.142 0.000 2.562 743 M HA -0.103 4.381 4.480 0.007 0.000 0.257 743 M C 1.826 178.221 176.300 0.158 0.000 1.099 743 M CA 1.140 56.568 55.300 0.214 0.000 1.099 743 M CB 0.024 32.700 32.600 0.127 0.000 1.427 743 M HN 0.035 nan 8.290 nan 0.000 0.489 744 Q N 0.583 120.412 119.800 0.049 0.000 2.077 744 Q HA -0.173 4.171 4.340 0.007 0.000 0.206 744 Q C -0.999 174.958 176.000 -0.072 0.000 0.989 744 Q CA 2.054 57.852 55.803 -0.009 0.000 0.853 744 Q CB -1.249 27.474 28.738 -0.026 0.000 0.907 744 Q HN 0.310 nan 8.270 nan 0.000 0.418 745 P HA -0.129 nan 4.420 nan 0.000 0.222 745 P C 0.059 177.153 177.300 -0.342 0.000 1.147 745 P CA 1.244 64.131 63.100 -0.354 0.000 0.790 745 P CB -0.187 31.143 31.700 -0.617 0.000 0.780 746 Y N -2.070 118.247 120.300 0.028 0.000 2.500 746 Y HA 0.150 4.704 4.550 0.007 0.000 0.270 746 Y C 2.109 178.026 175.900 0.028 0.000 1.134 746 Y CA -0.220 57.901 58.100 0.034 0.000 1.293 746 Y CB -0.580 37.906 38.460 0.042 0.000 1.063 746 Y HN -0.151 nan 8.280 nan 0.000 0.534 747 I N 0.873 121.518 120.570 0.124 0.000 2.179 747 I HA -0.207 3.967 4.170 0.007 0.000 0.242 747 I C -0.709 175.439 176.117 0.051 0.000 1.088 747 I CA 1.128 62.468 61.300 0.068 0.000 1.357 747 I CB -1.323 36.693 38.000 0.028 0.000 1.051 747 I HN 0.111 nan 8.210 nan 0.000 0.409 748 P HA -0.197 nan 4.420 nan 0.000 0.216 748 P C 1.760 179.157 177.300 0.161 0.000 1.150 748 P CA 1.605 64.758 63.100 0.089 0.000 0.837 748 P CB -0.234 31.519 31.700 0.088 0.000 0.786 749 M N -3.270 116.412 119.600 0.137 0.000 2.630 749 M HA 0.055 4.539 4.480 0.007 0.000 0.254 749 M C 1.329 177.705 176.300 0.127 0.000 1.092 749 M CA 1.463 56.847 55.300 0.140 0.000 1.087 749 M CB -0.400 32.284 32.600 0.139 0.000 1.453 749 M HN -0.218 nan 8.290 nan 0.000 0.509 750 V N -0.231 119.748 119.914 0.108 0.000 3.250 750 V HA 0.004 4.128 4.120 0.007 0.000 0.240 750 V C 1.861 177.983 176.094 0.047 0.000 1.275 750 V CA 0.251 62.592 62.300 0.069 0.000 1.206 750 V CB 0.590 32.442 31.823 0.049 0.000 0.976 750 V HN 0.470 nan 8.190 nan 0.000 0.467 751 L N 0.679 121.910 121.223 0.014 0.000 1.970 751 L HA -0.172 4.172 4.340 0.007 0.000 0.212 751 L C 2.470 179.308 176.870 -0.053 0.000 1.071 751 L CA 2.386 57.186 54.840 -0.066 0.000 0.751 751 L CB -1.160 40.809 42.059 -0.149 0.000 0.889 751 L HN 0.455 nan 8.230 nan 0.000 0.432 752 H N -0.056 119.034 119.070 0.034 0.000 2.289 752 H HA -0.238 4.322 4.556 0.007 0.000 0.294 752 H C 2.098 177.446 175.328 0.034 0.000 1.095 752 H CA 2.310 58.381 56.048 0.039 0.000 1.256 752 H CB -0.413 29.371 29.762 0.036 0.000 1.359 752 H HN 0.608 nan 8.280 nan 0.000 0.487 753 Q N 0.390 120.288 119.800 0.163 0.000 2.119 753 Q HA -0.064 4.280 4.340 0.007 0.000 0.201 753 Q C 2.684 178.718 176.000 0.057 0.000 0.972 753 Q CA 0.818 56.678 55.803 0.095 0.000 0.847 753 Q CB -0.146 28.638 28.738 0.077 0.000 0.903 753 Q HN 0.401 nan 8.270 nan 0.000 0.433 754 L N 0.466 121.709 121.223 0.033 0.000 2.046 754 L HA -0.181 4.163 4.340 0.007 0.000 0.208 754 L C 2.379 179.252 176.870 0.005 0.000 1.077 754 L CA 0.855 55.695 54.840 0.001 0.000 0.747 754 L CB -0.490 41.546 42.059 -0.038 0.000 0.896 754 L HN 0.098 nan 8.230 nan 0.000 0.432 755 V N 0.124 120.051 119.914 0.023 0.000 2.490 755 V HA -0.251 3.873 4.120 0.007 0.000 0.250 755 V C 2.961 179.105 176.094 0.084 0.000 1.061 755 V CA 2.140 64.484 62.300 0.072 0.000 1.064 755 V CB -1.047 30.848 31.823 0.120 0.000 0.670 755 V HN 0.632 nan 8.190 nan 0.000 0.461 756 E N -0.010 120.235 120.200 0.075 0.000 2.152 756 E HA -0.138 4.216 4.350 0.007 0.000 0.192 756 E C 1.939 178.567 176.600 0.047 0.000 0.983 756 E CA 1.440 57.879 56.400 0.065 0.000 0.818 756 E CB -0.510 29.230 29.700 0.066 0.000 0.758 756 E HN 0.678 nan 8.360 nan 0.000 0.467 757 I N -0.348 120.246 120.570 0.040 0.000 2.439 757 I HA -0.034 4.140 4.170 0.007 0.000 0.251 757 I C 2.615 178.748 176.117 0.026 0.000 1.139 757 I CA 0.913 62.230 61.300 0.028 0.000 1.438 757 I CB 0.119 38.133 38.000 0.022 0.000 1.085 757 I HN 0.279 nan 8.210 nan 0.000 0.427 758 I N 0.615 121.207 120.570 0.036 0.000 2.500 758 I HA -0.192 3.982 4.170 0.007 0.000 0.252 758 I C 1.812 177.956 176.117 0.046 0.000 1.142 758 I CA 1.192 62.518 61.300 0.044 0.000 1.451 758 I CB -0.093 37.949 38.000 0.070 0.000 1.093 758 I HN 0.233 nan 8.210 nan 0.000 0.430 759 N N 1.186 119.918 118.700 0.052 0.000 2.461 759 N HA -0.042 4.702 4.740 0.007 0.000 0.188 759 N C 0.470 175.994 175.510 0.023 0.000 1.134 759 N CA 0.119 53.193 53.050 0.040 0.000 0.878 759 N CB -0.034 38.483 38.487 0.050 0.000 0.972 759 N HN 0.315 nan 8.380 nan 0.000 0.456 760 R N 2.241 122.753 120.500 0.020 0.000 2.347 760 R HA 0.164 4.508 4.340 0.007 0.000 0.304 760 R C -2.485 173.817 176.300 0.003 0.000 1.072 760 R CA -1.118 54.989 56.100 0.011 0.000 0.980 760 R CB 0.565 30.870 30.300 0.010 0.000 0.986 760 R HN -0.107 nan 8.270 nan 0.000 0.448 761 P HA 0.079 nan 4.420 nan 0.000 0.278 761 P C -0.971 176.324 177.300 -0.008 0.000 1.238 761 P CA -0.266 62.831 63.100 -0.004 0.000 0.794 761 P CB 0.532 32.231 31.700 -0.003 0.000 0.955 762 N N -0.424 118.270 118.700 -0.010 0.000 2.727 762 N HA -0.103 4.641 4.740 0.007 0.000 0.251 762 N C -0.944 174.557 175.510 -0.015 0.000 1.040 762 N CA 1.008 54.050 53.050 -0.013 0.000 0.712 762 N CB -1.175 37.303 38.487 -0.014 0.000 0.912 762 N HN 0.420 nan 8.380 nan 0.000 0.545 763 T N 1.104 115.650 114.554 -0.014 0.000 2.807 763 T HA 0.445 4.799 4.350 0.007 0.000 0.279 763 T C -2.205 172.485 174.700 -0.016 0.000 0.993 763 T CA -1.047 61.044 62.100 -0.013 0.000 0.970 763 T CB 2.226 71.089 68.868 -0.009 0.000 0.950 763 T HN -0.057 nan 8.240 nan 0.000 0.441 764 P HA 0.096 nan 4.420 nan 0.000 0.265 764 P C 0.670 177.956 177.300 -0.023 0.000 1.187 764 P CA -0.117 62.972 63.100 -0.019 0.000 0.766 764 P CB 0.631 32.322 31.700 -0.015 0.000 0.820 765 K N 0.861 121.243 120.400 -0.029 0.000 2.283 765 K HA -0.060 4.264 4.320 0.007 0.000 0.202 765 K C 1.512 178.088 176.600 -0.041 0.000 1.048 765 K CA 1.225 57.490 56.287 -0.038 0.000 0.948 765 K CB -0.294 32.181 32.500 -0.042 0.000 0.742 765 K HN 0.490 nan 8.250 nan 0.000 0.458 766 T N 1.815 116.348 114.554 -0.035 0.000 2.812 766 T HA -0.089 4.265 4.350 0.007 0.000 0.264 766 T C 1.708 176.393 174.700 -0.026 0.000 1.042 766 T CA 0.701 62.779 62.100 -0.037 0.000 1.140 766 T CB -0.101 68.745 68.868 -0.038 0.000 0.870 766 T HN 0.085 nan 8.240 nan 0.000 0.445 767 L N 0.860 122.073 121.223 -0.016 0.000 2.093 767 L HA 0.138 4.482 4.340 0.007 0.000 0.208 767 L C 2.062 178.927 176.870 -0.008 0.000 1.085 767 L CA 1.477 56.315 54.840 -0.003 0.000 0.755 767 L CB -0.671 41.390 42.059 0.004 0.000 0.904 767 L HN 0.218 nan 8.230 nan 0.000 0.435 768 L N -0.597 120.613 121.223 -0.022 0.000 2.027 768 L HA -0.199 4.145 4.340 0.007 0.000 0.206 768 L C 2.607 179.443 176.870 -0.055 0.000 1.074 768 L CA 1.712 56.532 54.840 -0.033 0.000 0.745 768 L CB -0.597 41.439 42.059 -0.039 0.000 0.898 768 L HN 0.412 nan 8.230 nan 0.000 0.433 769 E N 0.228 120.389 120.200 -0.064 0.000 2.058 769 E HA -0.256 4.098 4.350 0.007 0.000 0.194 769 E C 1.934 178.506 176.600 -0.047 0.000 0.997 769 E CA 1.363 57.713 56.400 -0.083 0.000 0.801 769 E CB 0.060 29.716 29.700 -0.074 0.000 0.746 769 E HN 0.436 nan 8.360 nan 0.000 0.450 770 N N -0.232 118.463 118.700 -0.008 0.000 2.188 770 N HA -0.097 4.647 4.740 0.007 0.000 0.184 770 N C 1.812 177.348 175.510 0.043 0.000 1.018 770 N CA 1.682 54.759 53.050 0.045 0.000 0.858 770 N CB -0.374 38.156 38.487 0.070 0.000 0.989 770 N HN 0.188 nan 8.380 nan 0.000 0.426 771 T N 1.177 115.740 114.554 0.015 0.000 2.746 771 T HA -0.046 4.308 4.350 0.007 0.000 0.267 771 T C 2.000 176.706 174.700 0.010 0.000 1.039 771 T CA 1.232 63.337 62.100 0.008 0.000 1.142 771 T CB -0.255 68.614 68.868 0.002 0.000 0.866 771 T HN 0.310 nan 8.240 nan 0.000 0.444 772 A N 1.328 124.135 122.820 -0.022 0.000 1.883 772 A HA -0.063 4.261 4.320 0.007 0.000 0.217 772 A C 2.266 179.903 177.584 0.089 0.000 1.186 772 A CA 1.430 53.433 52.037 -0.056 0.000 0.624 772 A CB -0.824 17.954 19.000 -0.370 0.000 0.822 772 A HN 0.526 nan 8.150 nan 0.000 0.444 773 I N -0.586 120.011 120.570 0.045 0.000 2.315 773 I HA -0.198 3.976 4.170 0.007 0.000 0.248 773 I C 2.554 178.739 176.117 0.115 0.000 1.117 773 I CA 1.637 63.005 61.300 0.115 0.000 1.404 773 I CB -0.534 37.524 38.000 0.097 0.000 1.071 773 I HN 0.251 nan 8.210 nan 0.000 0.419 774 T N 1.101 115.697 114.554 0.070 0.000 2.701 774 T HA -0.089 4.265 4.350 0.007 0.000 0.263 774 T C 1.979 176.681 174.700 0.003 0.000 1.040 774 T CA 1.270 63.388 62.100 0.029 0.000 1.147 774 T CB -0.282 68.591 68.868 0.009 0.000 0.865 774 T HN 0.192 nan 8.240 nan 0.000 0.426 775 I N 1.310 121.860 120.570 -0.034 0.000 2.113 775 I HA -0.265 3.909 4.170 0.007 0.000 0.242 775 I C 2.832 178.900 176.117 -0.082 0.000 1.057 775 I CA 1.650 62.854 61.300 -0.160 0.000 1.314 775 I CB -0.863 36.909 38.000 -0.379 0.000 1.022 775 I HN 0.356 nan 8.210 nan 0.000 0.408 776 G N 0.294 109.147 108.800 0.088 0.000 2.514 776 G HA2 -0.274 3.691 3.960 0.007 0.000 0.217 776 G HA3 -0.274 3.691 3.960 0.007 0.000 0.217 776 G C 1.748 176.727 174.900 0.132 0.000 1.198 776 G CA 0.827 46.019 45.100 0.153 0.000 0.780 776 G HN 0.307 nan 8.290 nan 0.000 0.565 777 R N -0.268 120.297 120.500 0.109 0.000 2.105 777 R HA 0.017 4.361 4.340 0.007 0.000 0.239 777 R C 2.684 179.054 176.300 0.116 0.000 1.135 777 R CA 1.027 57.184 56.100 0.096 0.000 0.967 777 R CB -0.437 29.888 30.300 0.041 0.000 0.861 777 R HN 0.344 nan 8.270 nan 0.000 0.442 778 L N -0.879 120.379 121.223 0.058 0.000 1.988 778 L HA -0.093 4.251 4.340 0.007 0.000 0.207 778 L C 2.578 179.480 176.870 0.053 0.000 1.071 778 L CA 1.551 56.414 54.840 0.039 0.000 0.744 778 L CB -0.926 41.130 42.059 -0.005 0.000 0.893 778 L HN 0.373 nan 8.230 nan 0.000 0.433 779 G N -1.475 107.350 108.800 0.041 0.000 2.479 779 G HA2 -0.338 3.626 3.960 0.007 0.000 0.220 779 G HA3 -0.338 3.626 3.960 0.007 0.000 0.220 779 G C 1.452 176.401 174.900 0.081 0.000 1.115 779 G CA 0.622 45.749 45.100 0.046 0.000 0.757 779 G HN 0.384 nan 8.290 nan 0.000 0.560 780 Y N 0.094 120.398 120.300 0.007 0.000 2.314 780 Y HA 0.124 4.678 4.550 0.007 0.000 0.293 780 Y C 2.504 178.410 175.900 0.009 0.000 1.129 780 Y CA 1.221 59.331 58.100 0.017 0.000 1.201 780 Y CB 0.079 38.561 38.460 0.036 0.000 0.999 780 Y HN 0.045 nan 8.280 nan 0.000 0.541 781 V N -1.303 118.632 119.914 0.036 0.000 3.307 781 V HA 0.031 4.155 4.120 0.007 0.000 0.253 781 V C -0.079 175.982 176.094 -0.055 0.000 1.149 781 V CA 0.811 63.091 62.300 -0.033 0.000 1.112 781 V CB 0.130 31.998 31.823 0.076 0.000 0.777 781 V HN 0.473 nan 8.190 nan 0.000 0.464 782 C N 0.983 120.265 119.300 -0.030 0.000 3.498 782 C HA 0.355 4.819 4.460 0.007 0.000 0.218 782 C C -1.353 173.622 174.990 -0.024 0.000 1.284 782 C CA -0.650 58.352 59.018 -0.027 0.000 1.343 782 C CB 0.557 28.294 27.740 -0.005 0.000 1.825 782 C HN 0.390 nan 8.230 nan 0.000 0.518 783 P HA -0.150 nan 4.420 nan 0.000 0.215 783 P C 1.741 179.028 177.300 -0.021 0.000 1.157 783 P CA 1.515 64.598 63.100 -0.030 0.000 0.863 783 P CB 0.150 31.820 31.700 -0.050 0.000 0.787 784 Q N -0.199 119.584 119.800 -0.028 0.000 2.197 784 Q HA -0.194 4.150 4.340 0.007 0.000 0.207 784 Q C 1.872 177.862 176.000 -0.017 0.000 0.984 784 Q CA 1.360 57.148 55.803 -0.024 0.000 0.869 784 Q CB -0.713 28.010 28.738 -0.026 0.000 0.906 784 Q HN 0.433 nan 8.270 nan 0.000 0.426 785 E N -0.514 119.678 120.200 -0.014 0.000 2.170 785 E HA -0.017 4.337 4.350 0.007 0.000 0.191 785 E C 2.033 178.630 176.600 -0.005 0.000 0.981 785 E CA 0.625 57.018 56.400 -0.012 0.000 0.830 785 E CB 0.349 30.042 29.700 -0.012 0.000 0.775 785 E HN 0.181 nan 8.360 nan 0.000 0.470 786 V N 0.667 120.587 119.914 0.009 0.000 3.263 786 V HA 0.131 4.255 4.120 0.007 0.000 0.248 786 V C 2.269 178.413 176.094 0.084 0.000 1.145 786 V CA 0.897 63.224 62.300 0.045 0.000 1.107 786 V CB -0.156 31.691 31.823 0.040 0.000 0.797 786 V HN 0.121 nan 8.190 nan 0.000 0.467 787 A N 1.288 124.129 122.820 0.035 0.000 1.892 787 A HA -0.145 4.179 4.320 0.007 0.000 0.218 787 A C 0.467 178.032 177.584 -0.032 0.000 1.188 787 A CA 2.172 54.208 52.037 -0.002 0.000 0.631 787 A CB -1.977 17.009 19.000 -0.024 0.000 0.822 787 A HN 0.497 nan 8.150 nan 0.000 0.447 788 P HA -0.208 nan 4.420 nan 0.000 0.221 788 P C 1.078 178.355 177.300 -0.038 0.000 1.153 788 P CA 1.688 64.771 63.100 -0.027 0.000 0.858 788 P CB -0.157 31.535 31.700 -0.013 0.000 0.783 789 M N -2.764 116.827 119.600 -0.015 0.000 2.475 789 M HA 0.089 4.573 4.480 0.007 0.000 0.283 789 M C 1.237 177.391 176.300 -0.243 0.000 1.165 789 M CA -0.366 54.923 55.300 -0.017 0.000 0.976 789 M CB 0.021 32.678 32.600 0.095 0.000 1.428 789 M HN -0.126 nan 8.290 nan 0.000 0.495 790 L N 1.228 122.214 121.223 -0.394 0.000 2.131 790 L HA -0.196 4.148 4.340 0.007 0.000 0.210 790 L C 2.341 178.753 176.870 -0.764 0.000 1.092 790 L CA 2.154 56.484 54.840 -0.850 0.000 0.759 790 L CB -0.668 41.132 42.059 -0.432 0.000 0.903 790 L HN 0.426 nan 8.230 nan 0.000 0.435 791 Q N -1.137 118.434 119.800 -0.381 0.000 2.167 791 Q HA -0.214 4.130 4.340 0.007 0.000 0.202 791 Q C 2.037 177.912 176.000 -0.208 0.000 0.970 791 Q CA 1.628 57.291 55.803 -0.233 0.000 0.855 791 Q CB -0.072 28.597 28.738 -0.116 0.000 0.911 791 Q HN 0.643 nan 8.270 nan 0.000 0.438 792 Q N -0.831 118.848 119.800 -0.203 0.000 2.311 792 Q HA -0.055 4.289 4.340 0.007 0.000 0.203 792 Q C 1.046 177.063 176.000 0.029 0.000 0.954 792 Q CA 1.182 56.955 55.803 -0.051 0.000 0.885 792 Q CB 0.237 28.995 28.738 0.034 0.000 0.963 792 Q HN 0.638 nan 8.270 nan 0.000 0.471 793 F N -3.330 116.616 119.950 -0.007 0.000 2.789 793 F HA 0.265 4.797 4.527 0.007 0.000 0.320 793 F C 1.466 177.293 175.800 0.046 0.000 1.079 793 F CA -0.650 57.362 58.000 0.020 0.000 1.205 793 F CB -0.405 38.613 39.000 0.030 0.000 1.046 793 F HN -0.165 nan 8.300 nan 0.000 0.586 794 I N 1.946 122.381 120.570 -0.225 0.000 2.185 794 I HA -0.250 3.924 4.170 0.007 0.000 0.246 794 I C 2.719 178.927 176.117 0.152 0.000 1.088 794 I CA 1.809 63.083 61.300 -0.043 0.000 1.347 794 I CB -0.519 37.377 38.000 -0.174 0.000 1.041 794 I HN 0.308 nan 8.210 nan 0.000 0.415 795 R N 0.371 120.869 120.500 -0.004 0.000 2.075 795 R HA -0.106 4.239 4.340 0.007 0.000 0.230 795 R C -0.453 175.773 176.300 -0.123 0.000 1.140 795 R CA 2.125 58.090 56.100 -0.223 0.000 0.928 795 R CB -1.482 28.563 30.300 -0.424 0.000 0.834 795 R HN 0.272 nan 8.270 nan 0.000 0.429 796 P HA -0.164 nan 4.420 nan 0.000 0.216 796 P C 0.499 177.863 177.300 0.108 0.000 1.150 796 P CA 1.033 64.147 63.100 0.023 0.000 0.837 796 P CB -0.290 31.448 31.700 0.062 0.000 0.786 797 W N 0.075 121.402 121.300 0.045 0.000 2.335 797 W HA -0.261 4.403 4.660 0.007 0.000 0.311 797 W C 2.094 178.625 176.519 0.020 0.000 1.213 797 W CA 1.577 58.956 57.345 0.057 0.000 1.274 797 W CB -0.970 28.600 29.460 0.183 0.000 1.148 797 W HN -0.065 nan 8.180 nan 0.000 0.498 798 C N -0.199 119.319 119.300 0.364 0.000 2.453 798 C HA -0.179 4.285 4.460 0.007 0.000 0.277 798 C C 2.565 177.583 174.990 0.046 0.000 1.262 798 C CA 1.894 61.050 59.018 0.230 0.000 1.718 798 C CB -1.423 26.547 27.740 0.384 0.000 2.031 798 C HN 0.413 nan 8.230 nan 0.000 0.480 799 T N -0.052 114.521 114.554 0.031 0.000 2.897 799 T HA -0.167 4.187 4.350 0.007 0.000 0.271 799 T C 1.840 176.510 174.700 -0.049 0.000 1.084 799 T CA 1.706 63.809 62.100 0.005 0.000 1.123 799 T CB -0.254 68.593 68.868 -0.034 0.000 0.865 799 T HN 0.599 nan 8.240 nan 0.000 0.496 800 S N 0.742 116.377 115.700 -0.109 0.000 2.303 800 S HA 0.156 4.630 4.470 0.007 0.000 0.207 800 S C 1.909 176.392 174.600 -0.194 0.000 1.025 800 S CA 0.175 58.285 58.200 -0.150 0.000 0.953 800 S CB -0.496 62.597 63.200 -0.178 0.000 0.932 800 S HN 0.402 nan 8.310 nan 0.000 0.472 801 L N 2.198 123.221 121.223 -0.334 0.000 2.261 801 L HA -0.053 4.291 4.340 0.007 0.000 0.216 801 L C 2.838 179.612 176.870 -0.161 0.000 1.114 801 L CA 0.945 55.607 54.840 -0.297 0.000 0.777 801 L CB -0.569 41.177 42.059 -0.520 0.000 0.910 801 L HN 0.370 nan 8.230 nan 0.000 0.440 802 R N 0.765 121.194 120.500 -0.118 0.000 2.174 802 R HA -0.229 4.115 4.340 0.007 0.000 0.253 802 R C 1.356 177.591 176.300 -0.109 0.000 1.165 802 R CA 1.825 57.886 56.100 -0.066 0.000 0.984 802 R CB -0.262 30.027 30.300 -0.018 0.000 0.873 802 R HN 0.476 nan 8.270 nan 0.000 0.456 803 N N 0.462 119.096 118.700 -0.111 0.000 2.282 803 N HA 0.063 4.807 4.740 0.007 0.000 0.185 803 N C 0.630 176.067 175.510 -0.122 0.000 1.099 803 N CA 0.258 53.245 53.050 -0.104 0.000 0.878 803 N CB 0.343 38.785 38.487 -0.076 0.000 0.993 803 N HN 0.364 nan 8.380 nan 0.000 0.481 804 I N 0.208 120.690 120.570 -0.146 0.000 2.581 804 I HA 0.279 4.453 4.170 0.007 0.000 0.288 804 I C 0.729 176.722 176.117 -0.207 0.000 1.047 804 I CA -1.012 60.199 61.300 -0.149 0.000 1.374 804 I CB 0.979 38.901 38.000 -0.131 0.000 1.423 804 I HN -0.082 nan 8.210 nan 0.000 0.549 805 R N 3.155 123.551 120.500 -0.175 0.000 2.840 805 R HA 0.241 4.585 4.340 0.007 0.000 0.282 805 R C -0.829 175.296 176.300 -0.292 0.000 1.133 805 R CA -0.672 55.307 56.100 -0.202 0.000 1.208 805 R CB -0.079 30.151 30.300 -0.116 0.000 1.160 805 R HN 0.541 nan 8.270 nan 0.000 0.576 806 D N 0.826 121.050 120.400 -0.294 0.000 2.425 806 D HA 0.114 4.758 4.640 0.007 0.000 0.247 806 D C -0.552 175.696 176.300 -0.087 0.000 1.147 806 D CA 0.371 54.169 54.000 -0.336 0.000 0.879 806 D CB 0.444 41.211 40.800 -0.055 0.000 1.179 806 D HN 0.627 nan 8.370 nan 0.000 0.456 807 N N -0.924 117.771 118.700 -0.008 0.000 2.823 807 N HA 0.131 4.875 4.740 0.007 0.000 0.251 807 N C 0.269 175.895 175.510 0.192 0.000 1.392 807 N CA -0.794 52.310 53.050 0.091 0.000 0.864 807 N CB 0.980 39.486 38.487 0.031 0.000 1.481 807 N HN 0.016 nan 8.380 nan 0.000 0.508 808 E N -0.160 120.127 120.200 0.145 0.000 2.267 808 E HA -0.168 4.186 4.350 0.007 0.000 0.197 808 E C 0.502 177.188 176.600 0.144 0.000 0.998 808 E CA 1.707 58.190 56.400 0.138 0.000 0.830 808 E CB 0.097 29.852 29.700 0.091 0.000 0.751 808 E HN 0.662 nan 8.360 nan 0.000 0.491 809 E N -0.182 120.104 120.200 0.144 0.000 2.127 809 E HA 0.051 4.406 4.350 0.007 0.000 0.191 809 E C 1.723 178.448 176.600 0.208 0.000 0.964 809 E CA 0.778 57.264 56.400 0.144 0.000 0.832 809 E CB -0.153 29.616 29.700 0.114 0.000 0.790 809 E HN 0.155 nan 8.360 nan 0.000 0.465 810 K N 1.103 121.644 120.400 0.236 0.000 2.063 810 K HA -0.233 4.091 4.320 0.007 0.000 0.208 810 K C 1.927 178.964 176.600 0.729 0.000 1.048 810 K CA 1.741 58.258 56.287 0.383 0.000 0.928 810 K CB -0.118 32.465 32.500 0.138 0.000 0.713 810 K HN 0.141 nan 8.250 nan 0.000 0.442 811 D N 0.189 120.989 120.400 0.667 0.000 2.104 811 D HA -0.182 4.462 4.640 0.007 0.000 0.194 811 D C 1.825 178.296 176.300 0.285 0.000 0.994 811 D CA 1.986 56.265 54.000 0.465 0.000 0.830 811 D CB -0.093 40.857 40.800 0.250 0.000 0.959 811 D HN 0.320 nan 8.370 nan 0.000 0.452 812 S N 0.274 116.082 115.700 0.180 0.000 2.419 812 S HA -0.031 4.443 4.470 0.007 0.000 0.233 812 S C 2.191 176.836 174.600 0.077 0.000 1.016 812 S CA 1.300 59.507 58.200 0.012 0.000 0.974 812 S CB -0.236 62.948 63.200 -0.026 0.000 0.786 812 S HN 0.384 nan 8.310 nan 0.000 0.492 813 A N 0.582 123.571 122.820 0.280 0.000 1.903 813 A HA 0.296 4.620 4.320 0.007 0.000 0.213 813 A C 1.843 179.734 177.584 0.512 0.000 1.185 813 A CA 0.741 53.002 52.037 0.373 0.000 0.628 813 A CB -0.976 18.265 19.000 0.403 0.000 0.830 813 A HN 0.517 nan 8.150 nan 0.000 0.446 814 F N 0.434 120.725 119.950 0.568 0.000 2.171 814 F HA -0.134 4.397 4.527 0.007 0.000 0.300 814 F C 2.548 178.575 175.800 0.378 0.000 1.090 814 F CA 1.591 59.988 58.000 0.661 0.000 1.293 814 F CB -0.166 39.314 39.000 0.800 0.000 1.013 814 F HN 0.121 nan 8.300 nan 0.000 0.486 815 R N -0.226 120.489 120.500 0.358 0.000 2.094 815 R HA -0.170 4.174 4.340 0.007 0.000 0.239 815 R C 2.596 179.107 176.300 0.351 0.000 1.137 815 R CA 1.424 57.665 56.100 0.236 0.000 0.943 815 R CB -1.413 28.903 30.300 0.026 0.000 0.850 815 R HN 0.400 nan 8.270 nan 0.000 0.433 816 G N 1.395 110.397 108.800 0.336 0.000 2.442 816 G HA2 -0.227 3.737 3.960 0.007 0.000 0.219 816 G HA3 -0.227 3.737 3.960 0.007 0.000 0.219 816 G C 1.328 176.308 174.900 0.133 0.000 1.141 816 G CA 0.593 45.891 45.100 0.330 0.000 0.763 816 G HN 0.089 nan 8.290 nan 0.000 0.554 817 I N 0.778 121.369 120.570 0.036 0.000 2.286 817 I HA -0.050 4.125 4.170 0.007 0.000 0.245 817 I C 2.940 179.033 176.117 -0.040 0.000 1.104 817 I CA 0.061 61.264 61.300 -0.162 0.000 1.397 817 I CB -1.273 36.374 38.000 -0.589 0.000 1.072 817 I HN 0.176 nan 8.210 nan 0.000 0.417 818 C N 0.615 119.999 119.300 0.139 0.000 2.413 818 C HA -0.190 4.274 4.460 0.007 0.000 0.277 818 C C 2.975 178.010 174.990 0.075 0.000 1.228 818 C CA 1.615 60.725 59.018 0.154 0.000 1.731 818 C CB -1.210 26.678 27.740 0.246 0.000 2.042 818 C HN 0.503 nan 8.230 nan 0.000 0.468 819 T N 0.866 115.476 114.554 0.092 0.000 2.720 819 T HA -0.235 4.119 4.350 0.007 0.000 0.268 819 T C 1.752 176.453 174.700 0.001 0.000 1.037 819 T CA 1.773 63.895 62.100 0.037 0.000 1.144 819 T CB -0.314 68.561 68.868 0.011 0.000 0.864 819 T HN 0.492 nan 8.240 nan 0.000 0.444 820 M N 0.015 119.614 119.600 -0.003 0.000 2.159 820 M HA 0.030 4.514 4.480 0.007 0.000 0.263 820 M C 2.167 178.436 176.300 -0.052 0.000 1.063 820 M CA 1.423 56.706 55.300 -0.027 0.000 1.110 820 M CB -0.432 32.156 32.600 -0.020 0.000 1.374 820 M HN 0.212 nan 8.290 nan 0.000 0.411 821 I N -0.314 120.210 120.570 -0.077 0.000 2.226 821 I HA -0.236 3.938 4.170 0.007 0.000 0.245 821 I C 1.736 177.850 176.117 -0.004 0.000 1.100 821 I CA 1.277 62.527 61.300 -0.082 0.000 1.374 821 I CB -0.286 37.598 38.000 -0.193 0.000 1.057 821 I HN 0.279 nan 8.210 nan 0.000 0.413 822 S N -0.647 115.059 115.700 0.011 0.000 2.871 822 S HA 0.204 4.678 4.470 0.007 0.000 0.254 822 S C 0.710 175.308 174.600 -0.003 0.000 1.088 822 S CA -0.251 57.963 58.200 0.023 0.000 1.166 822 S CB 0.249 63.471 63.200 0.037 0.000 0.826 822 S HN 0.210 nan 8.310 nan 0.000 0.471 823 V N 0.131 120.035 119.914 -0.016 0.000 3.151 823 V HA 0.335 4.459 4.120 0.007 0.000 0.235 823 V C -0.152 175.923 176.094 -0.032 0.000 1.501 823 V CA 0.251 62.535 62.300 -0.026 0.000 1.211 823 V CB 0.532 32.338 31.823 -0.029 0.000 1.049 823 V HN 0.586 nan 8.190 nan 0.000 0.455 824 N N 0.676 119.354 118.700 -0.036 0.000 2.750 824 N HA 0.331 5.075 4.740 0.007 0.000 0.253 824 N C -2.254 173.236 175.510 -0.034 0.000 1.408 824 N CA -1.549 51.475 53.050 -0.044 0.000 0.780 824 N CB 1.938 40.392 38.487 -0.055 0.000 1.191 824 N HN 0.036 nan 8.380 nan 0.000 0.511 825 P HA -0.039 nan 4.420 nan 0.000 0.219 825 P C 1.016 178.332 177.300 0.025 0.000 1.150 825 P CA 0.901 64.028 63.100 0.045 0.000 0.814 825 P CB 0.327 31.988 31.700 -0.065 0.000 0.787 826 S N 0.096 115.766 115.700 -0.051 0.000 2.374 826 S HA -0.160 4.314 4.470 0.007 0.000 0.227 826 S C 2.291 176.875 174.600 -0.026 0.000 1.037 826 S CA 1.635 59.802 58.200 -0.055 0.000 1.024 826 S CB -1.867 61.295 63.200 -0.064 0.000 0.861 826 S HN 0.301 nan 8.310 nan 0.000 0.456 827 G N 0.282 109.056 108.800 -0.044 0.000 2.535 827 G HA2 -0.038 3.926 3.960 0.007 0.000 0.218 827 G HA3 -0.038 3.926 3.960 0.007 0.000 0.218 827 G C 1.201 176.063 174.900 -0.064 0.000 1.122 827 G CA 0.599 45.652 45.100 -0.077 0.000 0.769 827 G HN 0.453 nan 8.290 nan 0.000 0.549 828 V N 0.734 120.657 119.914 0.015 0.000 3.263 828 V HA 0.084 4.208 4.120 0.007 0.000 0.248 828 V C 2.533 178.765 176.094 0.230 0.000 1.145 828 V CA -0.047 62.305 62.300 0.088 0.000 1.107 828 V CB 0.013 31.861 31.823 0.042 0.000 0.797 828 V HN 0.214 nan 8.190 nan 0.000 0.467 829 I N 0.154 120.847 120.570 0.204 0.000 2.121 829 I HA -0.384 3.790 4.170 0.007 0.000 0.243 829 I C 2.568 178.786 176.117 0.168 0.000 1.047 829 I CA 1.969 63.370 61.300 0.168 0.000 1.308 829 I CB -1.285 36.733 38.000 0.030 0.000 1.015 829 I HN 0.401 nan 8.210 nan 0.000 0.410 830 Q N 0.273 120.146 119.800 0.122 0.000 2.061 830 Q HA -0.197 4.147 4.340 0.007 0.000 0.204 830 Q C 0.946 177.066 176.000 0.200 0.000 0.984 830 Q CA 1.610 57.485 55.803 0.121 0.000 0.846 830 Q CB -0.052 28.731 28.738 0.075 0.000 0.902 830 Q HN 0.637 nan 8.270 nan 0.000 0.421 831 D N -0.853 119.694 120.400 0.245 0.000 2.462 831 D HA 0.012 4.656 4.640 0.007 0.000 0.221 831 D C 0.908 177.474 176.300 0.444 0.000 1.173 831 D CA -0.216 54.005 54.000 0.368 0.000 0.831 831 D CB -0.031 40.932 40.800 0.271 0.000 1.001 831 D HN 0.091 nan 8.370 nan 0.000 0.499 832 F N 2.071 122.162 119.950 0.236 0.000 2.225 832 F HA -0.225 4.306 4.527 0.007 0.000 0.302 832 F C 1.855 177.853 175.800 0.330 0.000 1.068 832 F CA 0.903 59.045 58.000 0.238 0.000 1.327 832 F CB -0.034 39.068 39.000 0.170 0.000 1.043 832 F HN 0.001 nan 8.300 nan 0.000 0.506 833 I N -0.587 120.151 120.570 0.280 0.000 2.454 833 I HA -0.316 3.858 4.170 0.007 0.000 0.254 833 I C 1.924 177.846 176.117 -0.326 0.000 1.156 833 I CA 1.587 62.881 61.300 -0.011 0.000 1.433 833 I CB -0.689 37.299 38.000 -0.019 0.000 1.082 833 I HN 0.093 nan 8.210 nan 0.000 0.432 834 F N -0.357 119.577 119.950 -0.028 0.000 2.259 834 F HA -0.206 4.325 4.527 0.007 0.000 0.298 834 F C 2.235 178.024 175.800 -0.018 0.000 1.088 834 F CA 1.084 59.071 58.000 -0.021 0.000 1.358 834 F CB -0.722 38.317 39.000 0.065 0.000 1.040 834 F HN 0.016 nan 8.300 nan 0.000 0.505 835 F N 0.080 120.012 119.950 -0.029 0.000 2.186 835 F HA -0.179 4.352 4.527 0.007 0.000 0.299 835 F C 2.207 177.842 175.800 -0.276 0.000 1.090 835 F CA 0.840 58.773 58.000 -0.112 0.000 1.307 835 F CB -0.768 38.112 39.000 -0.200 0.000 1.019 835 F HN -0.050 nan 8.300 nan 0.000 0.489 836 C N 0.210 119.175 119.300 -0.559 0.000 2.429 836 C HA -0.174 4.290 4.460 0.007 0.000 0.277 836 C C 2.546 177.236 174.990 -0.500 0.000 1.262 836 C CA 1.548 60.205 59.018 -0.601 0.000 1.733 836 C CB -1.249 26.161 27.740 -0.550 0.000 2.010 836 C HN 0.600 nan 8.230 nan 0.000 0.483 837 D N 0.655 120.806 120.400 -0.416 0.000 2.144 837 D HA -0.060 4.584 4.640 0.007 0.000 0.200 837 D C 2.147 178.336 176.300 -0.185 0.000 0.978 837 D CA 1.369 55.191 54.000 -0.297 0.000 0.833 837 D CB -0.112 40.533 40.800 -0.259 0.000 0.961 837 D HN 0.378 nan 8.370 nan 0.000 0.470 838 A N -0.212 122.541 122.820 -0.112 0.000 1.933 838 A HA -0.103 4.221 4.320 0.007 0.000 0.218 838 A C 2.404 179.933 177.584 -0.091 0.000 1.175 838 A CA 1.390 53.466 52.037 0.066 0.000 0.628 838 A CB -0.692 18.527 19.000 0.365 0.000 0.814 838 A HN 0.231 nan 8.150 nan 0.000 0.444 839 V N -0.390 119.237 119.914 -0.478 0.000 2.379 839 V HA -0.169 3.955 4.120 0.007 0.000 0.245 839 V C 2.942 178.845 176.094 -0.319 0.000 1.044 839 V CA 1.706 63.524 62.300 -0.804 0.000 1.036 839 V CB -0.992 30.046 31.823 -1.308 0.000 0.664 839 V HN 0.586 nan 8.190 nan 0.000 0.453 840 A N 0.384 123.081 122.820 -0.206 0.000 2.121 840 A HA -0.144 4.180 4.320 0.007 0.000 0.218 840 A C 2.464 180.057 177.584 0.014 0.000 1.154 840 A CA 1.625 53.657 52.037 -0.008 0.000 0.679 840 A CB -0.543 18.425 19.000 -0.053 0.000 0.795 840 A HN 0.657 nan 8.150 nan 0.000 0.458 841 S N -1.786 113.872 115.700 -0.070 0.000 2.453 841 S HA -0.088 4.386 4.470 0.007 0.000 0.231 841 S C 0.421 174.937 174.600 -0.140 0.000 1.005 841 S CA -0.210 57.917 58.200 -0.122 0.000 0.949 841 S CB -0.482 62.604 63.200 -0.190 0.000 0.774 841 S HN 0.519 nan 8.310 nan 0.000 0.510 842 W N 0.531 121.766 121.300 -0.109 0.000 2.170 842 W HA 0.507 5.171 4.660 0.007 0.000 0.336 842 W C 1.084 177.670 176.519 0.112 0.000 1.283 842 W CA -0.563 56.763 57.345 -0.032 0.000 1.224 842 W CB 0.494 29.931 29.460 -0.038 0.000 1.132 842 W HN 0.079 nan 8.180 nan 0.000 0.571 843 I N 1.391 122.203 120.570 0.402 0.000 4.197 843 I HA 0.036 4.210 4.170 0.007 0.000 0.307 843 I C 0.432 176.780 176.117 0.386 0.000 1.236 843 I CA 0.226 61.720 61.300 0.324 0.000 1.321 843 I CB 0.209 38.295 38.000 0.143 0.000 1.309 843 I HN 0.330 nan 8.210 nan 0.000 0.450 844 N N 1.512 120.448 118.700 0.394 0.000 2.752 844 N HA 0.290 5.034 4.740 0.007 0.000 0.260 844 N C -2.746 172.939 175.510 0.292 0.000 1.562 844 N CA -1.563 51.682 53.050 0.324 0.000 0.788 844 N CB 0.772 39.384 38.487 0.208 0.000 1.192 844 N HN -0.117 nan 8.380 nan 0.000 0.503 845 P HA 0.240 nan 4.420 nan 0.000 0.274 845 P C -0.072 177.126 177.300 -0.169 0.000 1.231 845 P CA -0.163 62.802 63.100 -0.224 0.000 0.790 845 P CB 0.366 31.759 31.700 -0.513 0.000 0.951 846 K N 1.524 121.788 120.400 -0.226 0.000 2.380 846 K HA -0.003 4.321 4.320 0.007 0.000 0.267 846 K C 0.882 177.382 176.600 -0.166 0.000 0.990 846 K CA 0.296 56.499 56.287 -0.139 0.000 0.946 846 K CB -0.690 31.736 32.500 -0.124 0.000 0.937 846 K HN 0.467 nan 8.250 nan 0.000 0.491 847 D N 1.295 121.639 120.400 -0.094 0.000 2.116 847 D HA -0.178 4.466 4.640 0.007 0.000 0.193 847 D C 1.621 177.855 176.300 -0.111 0.000 0.998 847 D CA 2.092 56.043 54.000 -0.081 0.000 0.836 847 D CB -0.088 40.690 40.800 -0.036 0.000 0.951 847 D HN 0.867 nan 8.370 nan 0.000 0.449 848 D N 0.392 120.726 120.400 -0.109 0.000 2.149 848 D HA -0.171 4.473 4.640 0.007 0.000 0.198 848 D C 2.107 178.285 176.300 -0.204 0.000 0.990 848 D CA 0.520 54.452 54.000 -0.113 0.000 0.839 848 D CB -0.794 39.961 40.800 -0.075 0.000 0.948 848 D HN 0.222 nan 8.370 nan 0.000 0.460 849 L N -0.074 120.953 121.223 -0.327 0.000 2.072 849 L HA 0.040 4.385 4.340 0.007 0.000 0.205 849 L C 2.442 178.857 176.870 -0.758 0.000 1.079 849 L CA 1.176 55.642 54.840 -0.625 0.000 0.752 849 L CB -0.427 41.165 42.059 -0.779 0.000 0.906 849 L HN -0.124 nan 8.230 nan 0.000 0.436 850 R N -0.136 120.100 120.500 -0.440 0.000 2.117 850 R HA -0.213 4.131 4.340 0.007 0.000 0.243 850 R C 1.727 178.005 176.300 -0.038 0.000 1.143 850 R CA 2.193 58.170 56.100 -0.205 0.000 0.968 850 R CB -0.474 29.715 30.300 -0.185 0.000 0.863 850 R HN 0.487 nan 8.270 nan 0.000 0.444 851 D N -0.503 119.848 120.400 -0.082 0.000 2.103 851 D HA -0.075 4.569 4.640 0.007 0.000 0.199 851 D C 2.046 178.361 176.300 0.025 0.000 0.978 851 D CA 1.246 55.250 54.000 0.007 0.000 0.829 851 D CB 0.006 40.801 40.800 -0.008 0.000 0.981 851 D HN 0.138 nan 8.370 nan 0.000 0.464 852 M N -0.471 119.086 119.600 -0.072 0.000 2.082 852 M HA -0.176 4.309 4.480 0.007 0.000 0.258 852 M C 1.898 178.288 176.300 0.150 0.000 1.069 852 M CA 1.499 56.793 55.300 -0.010 0.000 1.102 852 M CB -0.532 32.007 32.600 -0.103 0.000 1.336 852 M HN 0.094 nan 8.290 nan 0.000 0.404 853 F N -0.484 119.497 119.950 0.051 0.000 2.069 853 F HA -0.339 4.192 4.527 0.007 0.000 0.298 853 F C 2.975 178.744 175.800 -0.052 0.000 1.113 853 F CA 0.766 58.742 58.000 -0.039 0.000 1.214 853 F CB -0.738 38.081 39.000 -0.303 0.000 0.978 853 F HN 0.322 nan 8.300 nan 0.000 0.474 854 C N 1.270 120.724 119.300 0.257 0.000 2.413 854 C HA -0.248 4.216 4.460 0.007 0.000 0.277 854 C C 3.174 178.339 174.990 0.291 0.000 1.228 854 C CA 2.432 61.634 59.018 0.308 0.000 1.731 854 C CB -1.332 26.631 27.740 0.371 0.000 2.042 854 C HN 0.487 nan 8.230 nan 0.000 0.468 855 K N -0.176 120.365 120.400 0.236 0.000 2.147 855 K HA -0.078 4.246 4.320 0.007 0.000 0.205 855 K C 1.597 178.334 176.600 0.229 0.000 1.049 855 K CA 1.954 58.366 56.287 0.207 0.000 0.936 855 K CB -0.816 31.765 32.500 0.135 0.000 0.722 855 K HN 0.752 nan 8.250 nan 0.000 0.446 856 I N 0.246 120.966 120.570 0.251 0.000 2.163 856 I HA -0.193 3.981 4.170 0.007 0.000 0.240 856 I C 2.534 178.838 176.117 0.312 0.000 1.081 856 I CA 1.072 62.546 61.300 0.290 0.000 1.353 856 I CB -0.165 38.017 38.000 0.305 0.000 1.054 856 I HN 0.204 nan 8.210 nan 0.000 0.407 857 L N -0.204 121.171 121.223 0.253 0.000 2.042 857 L HA -0.271 4.073 4.340 0.007 0.000 0.210 857 L C 2.747 179.603 176.870 -0.023 0.000 1.076 857 L CA 1.295 56.246 54.840 0.186 0.000 0.749 857 L CB -0.956 41.125 42.059 0.036 0.000 0.893 857 L HN 0.383 nan 8.230 nan 0.000 0.432 858 H N -0.248 118.849 119.070 0.044 0.000 2.326 858 H HA -0.087 4.473 4.556 0.007 0.000 0.301 858 H C 2.234 177.555 175.328 -0.013 0.000 1.081 858 H CA 1.525 57.547 56.048 -0.044 0.000 1.334 858 H CB -0.442 29.323 29.762 0.004 0.000 1.385 858 H HN 0.343 nan 8.280 nan 0.000 0.504 859 G N 0.177 109.107 108.800 0.216 0.000 2.505 859 G HA2 -0.265 3.699 3.960 0.007 0.000 0.220 859 G HA3 -0.265 3.699 3.960 0.007 0.000 0.220 859 G C 1.399 176.357 174.900 0.097 0.000 1.145 859 G CA 0.785 45.978 45.100 0.155 0.000 0.761 859 G HN 0.243 nan 8.290 nan 0.000 0.571 860 F N 0.691 120.586 119.950 -0.092 0.000 2.234 860 F HA 0.175 4.706 4.527 0.007 0.000 0.296 860 F C 2.500 178.231 175.800 -0.115 0.000 1.089 860 F CA 1.173 59.082 58.000 -0.152 0.000 1.343 860 F CB -0.196 38.634 39.000 -0.283 0.000 1.040 860 F HN 0.113 nan 8.300 nan 0.000 0.498 861 K N 0.427 120.737 120.400 -0.150 0.000 2.026 861 K HA -0.190 4.134 4.320 0.007 0.000 0.208 861 K C 1.832 178.381 176.600 -0.086 0.000 1.048 861 K CA 1.831 57.909 56.287 -0.349 0.000 0.929 861 K CB -0.121 31.833 32.500 -0.911 0.000 0.713 861 K HN 0.065 nan 8.250 nan 0.000 0.439 862 N N 0.790 119.454 118.700 -0.060 0.000 2.069 862 N HA -0.207 4.537 4.740 0.007 0.000 0.191 862 N C 1.711 177.198 175.510 -0.040 0.000 1.031 862 N CA 1.365 54.398 53.050 -0.029 0.000 0.852 862 N CB -0.461 38.015 38.487 -0.019 0.000 1.018 862 N HN 0.254 nan 8.380 nan 0.000 0.423 863 Q N 0.809 120.561 119.800 -0.080 0.000 2.077 863 Q HA -0.100 4.244 4.340 0.007 0.000 0.206 863 Q C 1.708 177.660 176.000 -0.081 0.000 0.989 863 Q CA 1.777 57.501 55.803 -0.132 0.000 0.853 863 Q CB -0.248 28.314 28.738 -0.293 0.000 0.907 863 Q HN 0.387 nan 8.270 nan 0.000 0.418 864 V N -3.622 116.277 119.914 -0.024 0.000 3.608 864 V HA 0.468 4.592 4.120 0.007 0.000 0.269 864 V C 0.909 177.044 176.094 0.068 0.000 1.245 864 V CA 0.473 62.788 62.300 0.026 0.000 1.138 864 V CB -0.692 31.175 31.823 0.075 0.000 0.841 864 V HN 0.472 nan 8.190 nan 0.000 0.451 865 G N 0.730 109.571 108.800 0.069 0.000 2.730 865 G HA2 -0.183 3.782 3.960 0.007 0.000 0.686 865 G HA3 -0.183 3.782 3.960 0.007 0.000 0.686 865 G C -0.185 174.802 174.900 0.146 0.000 1.343 865 G CA 0.030 45.177 45.100 0.078 0.000 0.826 865 G HN 0.266 nan 8.290 nan 0.000 0.582 866 D N 0.609 121.083 120.400 0.123 0.000 2.117 866 D HA -0.084 4.560 4.640 0.007 0.000 0.197 866 D C 2.352 178.776 176.300 0.206 0.000 0.987 866 D CA 1.804 55.907 54.000 0.172 0.000 0.829 866 D CB -0.045 40.824 40.800 0.115 0.000 0.961 866 D HN 0.863 nan 8.370 nan 0.000 0.460 867 E N 1.397 121.680 120.200 0.138 0.000 2.031 867 E HA -0.166 4.188 4.350 0.007 0.000 0.193 867 E C 1.709 178.383 176.600 0.124 0.000 0.994 867 E CA 0.840 57.307 56.400 0.111 0.000 0.800 867 E CB -0.483 29.261 29.700 0.073 0.000 0.752 867 E HN 0.280 nan 8.360 nan 0.000 0.447 868 N N 0.322 119.105 118.700 0.139 0.000 2.166 868 N HA -0.157 4.587 4.740 0.007 0.000 0.186 868 N C 1.664 177.296 175.510 0.202 0.000 1.019 868 N CA 1.212 54.344 53.050 0.137 0.000 0.856 868 N CB -0.304 38.251 38.487 0.114 0.000 0.993 868 N HN 0.437 nan 8.380 nan 0.000 0.426 869 W N 2.755 124.113 121.300 0.097 0.000 2.363 869 W HA -0.223 4.441 4.660 0.007 0.000 0.296 869 W C 2.597 179.169 176.519 0.089 0.000 1.212 869 W CA 2.172 59.606 57.345 0.148 0.000 1.260 869 W CB -0.107 29.437 29.460 0.140 0.000 1.131 869 W HN 0.041 nan 8.180 nan 0.000 0.530 870 R N 0.591 121.181 120.500 0.149 0.000 2.073 870 R HA -0.204 4.140 4.340 0.007 0.000 0.234 870 R C 2.278 178.509 176.300 -0.116 0.000 1.134 870 R CA 3.287 59.390 56.100 0.004 0.000 0.952 870 R CB -1.897 28.446 30.300 0.072 0.000 0.850 870 R HN 0.385 nan 8.270 nan 0.000 0.433 871 R N -0.233 120.243 120.500 -0.040 0.000 2.091 871 R HA -0.009 4.335 4.340 0.007 0.000 0.238 871 R C 2.202 178.444 176.300 -0.096 0.000 1.136 871 R CA 1.808 57.881 56.100 -0.044 0.000 0.959 871 R CB -1.472 28.841 30.300 0.021 0.000 0.856 871 R HN 0.719 nan 8.270 nan 0.000 0.437 872 F N 2.148 121.919 119.950 -0.298 0.000 2.113 872 F HA -0.125 4.406 4.527 0.007 0.000 0.297 872 F C 2.618 177.982 175.800 -0.727 0.000 1.103 872 F CA 2.062 59.837 58.000 -0.375 0.000 1.248 872 F CB -0.440 38.369 39.000 -0.318 0.000 0.999 872 F HN 0.294 nan 8.300 nan 0.000 0.475 873 S N -1.087 113.809 115.700 -1.339 0.000 2.522 873 S HA -0.093 4.381 4.470 0.007 0.000 0.227 873 S C 1.477 175.347 174.600 -1.217 0.000 0.986 873 S CA 0.858 57.746 58.200 -2.187 0.000 0.929 873 S CB -0.619 61.578 63.200 -1.671 0.000 0.769 873 S HN 0.378 nan 8.310 nan 0.000 0.529 874 D N 1.594 121.601 120.400 -0.655 0.000 2.312 874 D HA 0.005 4.649 4.640 0.007 0.000 0.211 874 D C 1.646 177.789 176.300 -0.262 0.000 0.964 874 D CA 0.672 54.467 54.000 -0.342 0.000 0.877 874 D CB -0.112 40.566 40.800 -0.202 0.000 0.924 874 D HN 0.471 nan 8.370 nan 0.000 0.515 875 Q N -0.282 119.323 119.800 -0.326 0.000 2.320 875 Q HA 0.035 4.379 4.340 0.007 0.000 0.201 875 Q C -0.109 175.898 176.000 0.013 0.000 0.910 875 Q CA 0.007 55.724 55.803 -0.143 0.000 0.946 875 Q CB 0.300 28.968 28.738 -0.116 0.000 1.062 875 Q HN 0.163 nan 8.270 nan 0.000 0.503 876 F N 1.549 121.319 119.950 -0.300 0.000 2.389 876 F HA 0.330 4.861 4.527 0.007 0.000 0.337 876 F C -1.464 174.232 175.800 -0.172 0.000 1.112 876 F CA -3.482 54.355 58.000 -0.271 0.000 1.192 876 F CB -0.539 38.291 39.000 -0.283 0.000 1.185 876 F HN -0.096 nan 8.300 nan 0.000 0.552 877 P HA 0.049 nan 4.420 nan 0.000 0.271 877 P C 0.989 178.303 177.300 0.023 0.000 1.233 877 P CA -0.294 62.803 63.100 -0.004 0.000 0.789 877 P CB 0.707 32.378 31.700 -0.048 0.000 0.951 878 L N 3.462 124.691 121.223 0.009 0.000 1.989 878 L HA -0.122 4.222 4.340 0.007 0.000 0.211 878 L C -0.837 176.047 176.870 0.024 0.000 1.071 878 L CA 2.654 57.505 54.840 0.017 0.000 0.749 878 L CB -1.799 40.263 42.059 0.006 0.000 0.890 878 L HN 0.484 nan 8.230 nan 0.000 0.431 879 P HA -0.154 nan 4.420 nan 0.000 0.218 879 P C 1.720 179.032 177.300 0.020 0.000 1.149 879 P CA 0.971 64.077 63.100 0.009 0.000 0.817 879 P CB -0.006 31.689 31.700 -0.008 0.000 0.785 880 L N 0.606 121.828 121.223 -0.001 0.000 1.988 880 L HA -0.122 4.222 4.340 0.007 0.000 0.207 880 L C 2.331 179.267 176.870 0.111 0.000 1.071 880 L CA 2.120 56.950 54.840 -0.017 0.000 0.744 880 L CB -1.386 40.563 42.059 -0.182 0.000 0.893 880 L HN -0.251 nan 8.230 nan 0.000 0.433 881 K N -0.224 120.288 120.400 0.187 0.000 2.089 881 K HA -0.228 4.096 4.320 0.007 0.000 0.210 881 K C 1.935 178.628 176.600 0.155 0.000 1.048 881 K CA 2.014 58.432 56.287 0.219 0.000 0.926 881 K CB -0.266 32.302 32.500 0.113 0.000 0.714 881 K HN 0.428 nan 8.250 nan 0.000 0.448 882 E N -0.061 120.203 120.200 0.106 0.000 2.076 882 E HA -0.086 4.268 4.350 0.007 0.000 0.190 882 E C 2.167 178.830 176.600 0.106 0.000 0.979 882 E CA 0.838 57.291 56.400 0.088 0.000 0.807 882 E CB -0.228 29.502 29.700 0.049 0.000 0.761 882 E HN 0.370 nan 8.360 nan 0.000 0.454 883 R N 0.259 120.828 120.500 0.115 0.000 2.090 883 R HA -0.063 4.281 4.340 0.007 0.000 0.228 883 R C 2.126 178.589 176.300 0.271 0.000 1.110 883 R CA 0.551 56.740 56.100 0.148 0.000 0.973 883 R CB -0.053 30.334 30.300 0.144 0.000 0.869 883 R HN 0.047 nan 8.270 nan 0.000 0.440 884 L N 0.479 121.881 121.223 0.300 0.000 2.131 884 L HA -0.071 4.273 4.340 0.007 0.000 0.210 884 L C 2.357 179.451 176.870 0.374 0.000 1.092 884 L CA 1.869 56.962 54.840 0.421 0.000 0.759 884 L CB -0.779 41.495 42.059 0.358 0.000 0.903 884 L HN 0.209 nan 8.230 nan 0.000 0.435 885 A N -0.812 122.169 122.820 0.268 0.000 1.841 885 A HA -0.099 4.225 4.320 0.007 0.000 0.214 885 A C 2.480 180.169 177.584 0.176 0.000 1.195 885 A CA 1.783 53.948 52.037 0.213 0.000 0.611 885 A CB -1.030 18.066 19.000 0.161 0.000 0.835 885 A HN 0.371 nan 8.150 nan 0.000 0.443 886 A N -1.382 121.518 122.820 0.133 0.000 1.858 886 A HA -0.021 4.303 4.320 0.007 0.000 0.216 886 A C 2.075 179.715 177.584 0.094 0.000 1.190 886 A CA 1.769 53.849 52.037 0.072 0.000 0.617 886 A CB -0.767 18.232 19.000 -0.003 0.000 0.827 886 A HN 0.473 nan 8.150 nan 0.000 0.443 887 F N -1.326 118.564 119.950 -0.099 0.000 2.163 887 F HA 0.003 4.534 4.527 0.007 0.000 0.297 887 F C 1.527 177.054 175.800 -0.455 0.000 1.094 887 F CA 0.671 58.454 58.000 -0.363 0.000 1.290 887 F CB -0.426 38.196 39.000 -0.630 0.000 1.017 887 F HN 0.355 nan 8.300 nan 0.000 0.483 888 Y N -1.161 119.306 120.300 0.277 0.000 2.500 888 Y HA 0.370 4.924 4.550 0.007 0.000 0.246 888 Y C 1.583 177.577 175.900 0.157 0.000 1.146 888 Y CA 0.056 58.252 58.100 0.161 0.000 1.230 888 Y CB -0.038 38.469 38.460 0.078 0.000 1.214 888 Y HN 0.030 nan 8.280 nan 0.000 0.526 889 G N 1.504 110.464 108.800 0.268 0.000 2.323 889 G HA2 -0.226 3.738 3.960 0.007 0.000 0.292 889 G HA3 -0.226 3.738 3.960 0.007 0.000 0.292 889 G C -0.354 174.667 174.900 0.202 0.000 1.040 889 G CA 0.680 45.926 45.100 0.244 0.000 0.942 889 G HN 0.305 nan 8.290 nan 0.000 0.506 890 V N 0.000 120.001 119.914 0.146 0.000 2.409 890 V HA 0.000 4.124 4.120 0.007 0.000 0.244 890 V CA 0.000 62.322 62.300 0.036 0.000 1.235 890 V CB 0.000 31.695 31.823 -0.213 0.000 1.184 890 V HN 0.000 nan 8.190 nan 0.000 0.556