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 3bdj_1_A DATA FIRST_RESID 3 DATA SEQUENCE ADELVFFVNG KKVVEKNADP ETTLLAYLRR KLGLRGTKLG CGEGGCGACT DATA SEQUENCE VMLSKYDRLQ DKIIHFSANA CLAPICTLHH VAVTTVEGIG STKTRLHPVQ DATA SEQUENCE ERIAKSHGSQ CGFCTPGIVM SMYTLLRNQP EPTVEEIEDA FQGNLCRCTG DATA SEQUENCE YRPILQGFRT FAXXXXXXXX XXXXXXXXXX XXXXXXXXXX PSLFNPEEFM DATA SEQUENCE PLDPTQEPIF PPELLRLKDV PPKQLRFEGE RVTWIQASTL KELLDLKAQH DATA SEQUENCE PEAKLVVGNT EIGIEMKFKN QLFPMIICPA WIPELNAVEH GPEGISFGAA DATA SEQUENCE CALSSVEKTL LEAVAKLPTQ KTEVFRGVLE QLRWFAGKQV KSVASLGGNI DATA SEQUENCE ITASPISDLN PVFMASGTKL TIVSRGTRRT VPMDHTFFPS YRKTLLGPEE DATA SEQUENCE ILLSIEIPYS REDEFFSAFK QASRREDDIA KVTCGMRVLF QPGSMQVKEL DATA SEQUENCE ALCYGGMADR TISALKTTQK QLSKFWNEKL LQDVCAGLAE ELSLSPDAPG DATA SEQUENCE GMIEFRRTLT LSFFFKFYLT VLKKLGXXXX XXXXKLDPTY TSATLLFQKH DATA SEQUENCE PPANIQLFQE VPNGQSKEDT VGRPLPHLAA AMQASGEAVY CDDIPRYENE DATA SEQUENCE LFLRLVTSTR AHAKIKSIDV SEAQKVPGFV CFLSADDIPG SNETGLFNDE DATA SEQUENCE TVFAKDTVTC VGHIIGAVVA DTPEHAERAA HVVKVTYEDL PAIITIEDAI DATA SEQUENCE KNNSFYGSEL KIEKGDLKKG FSEADNVVSG ELYIGGQDHF YLETHCTIAI DATA SEQUENCE PKGEEGEMEL FVSTQNAMKT QSFVAKMLGV PVNRILVRVK RMGGGFGGKE DATA SEQUENCE TRSTLVSVAV ALAAYKTGHP VRCMLDRNED MLITGGRHPF LARYKVGFMK DATA SEQUENCE TGTIVALEVD HYSNAGNSRD LSHSIMERAL FHMDNCYKIP NIRGTGRLCK DATA SEQUENCE TNLSSNTAFR GFGGPQALFI AENWMSEVAV TCGLPAEEVR WKNMYKEGDL DATA SEQUENCE THFNQRLEGF SVPRCWDECL KSSQYYARKS EVDKFNKENC WKKRGLCIIP DATA SEQUENCE TKFGISFTVP FLNQAGALIH VYTDGSVLVS HGGTEMGQGL HTKMVQVASK DATA SEQUENCE ALKIPISKIY ISETSTNTVP NSSPTAASVS TDIYGQAVYE ACQTILKRLE DATA SEQUENCE PFKKKNPDGS WEDWVMAAYQ DRVSLSTTGF YRTPNLGYSF ETNSGNAFHY DATA SEQUENCE FTYGVACSEV EIDCLTGDHK NLRTDIVMDV GSSLNPAIDI GQVEGAFVQG DATA SEQUENCE LGLFTLEELH YSPEGSLHTR GPSTYKIPAF GSIPTEFRVS LLRDCPNKKA DATA SEQUENCE IYASKAVGEP PLFLGASVFF AIKDAIRAAR AQHTNNNTKE LFRLDSPATP DATA SEQUENCE EKIRNACVDK FTTLCXXXXX XXXKPWSLRV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.640 177.584 0.094 0.000 1.274 3 A CA 0.000 52.084 52.037 0.078 0.000 0.836 3 A CB 0.000 19.078 19.000 0.130 0.000 0.831 4 D N 1.472 121.921 120.400 0.082 0.000 2.329 4 D HA 0.291 4.931 4.640 -0.000 0.000 0.246 4 D C -0.038 176.419 176.300 0.263 0.000 1.111 4 D CA 0.088 54.153 54.000 0.108 0.000 0.941 4 D CB 0.988 41.776 40.800 -0.021 0.000 1.169 4 D HN 0.599 nan 8.370 nan 0.000 0.441 5 E N 0.384 120.713 120.200 0.215 0.000 2.354 5 E HA 0.223 4.572 4.350 -0.000 0.000 0.269 5 E C -0.430 176.353 176.600 0.305 0.000 1.036 5 E CA -0.640 55.890 56.400 0.216 0.000 0.876 5 E CB 1.190 30.990 29.700 0.166 0.000 1.009 5 E HN 0.110 nan 8.360 nan 0.000 0.416 6 L N 3.464 124.802 121.223 0.191 0.000 2.264 6 L HA 0.272 4.612 4.340 -0.000 0.000 0.289 6 L C -1.183 175.893 176.870 0.343 0.000 1.044 6 L CA -0.496 54.471 54.840 0.211 0.000 0.807 6 L CB 1.332 43.244 42.059 -0.245 0.000 1.192 6 L HN 0.247 nan 8.230 nan 0.000 0.425 7 V N 7.201 127.458 119.914 0.572 0.000 2.444 7 V HA 0.621 4.741 4.120 -0.000 0.000 0.294 7 V C -0.347 175.942 176.094 0.325 0.000 1.022 7 V CA -0.408 62.062 62.300 0.283 0.000 0.850 7 V CB 0.925 32.911 31.823 0.272 0.000 0.992 7 V HN 0.752 nan 8.190 nan 0.000 0.426 8 F N 2.711 122.659 119.950 -0.005 0.000 2.789 8 F HA 0.892 5.419 4.527 -0.000 0.000 0.319 8 F C -1.940 173.838 175.800 -0.037 0.000 1.168 8 F CA -1.397 56.665 58.000 0.105 0.000 0.934 8 F CB 1.480 40.524 39.000 0.073 0.000 1.375 8 F HN 0.225 nan 8.300 nan 0.000 0.480 9 F N 0.927 120.921 119.950 0.075 0.000 2.546 9 F HA 0.740 5.267 4.527 -0.000 0.000 0.320 9 F C -0.702 175.127 175.800 0.048 0.000 1.076 9 F CA -1.333 56.623 58.000 -0.075 0.000 0.928 9 F CB 2.298 41.229 39.000 -0.114 0.000 1.189 9 F HN 0.371 nan 8.300 nan 0.000 0.465 10 V N 3.194 123.168 119.914 0.099 0.000 2.443 10 V HA 0.302 4.421 4.120 -0.000 0.000 0.293 10 V C -0.542 175.592 176.094 0.067 0.000 1.021 10 V CA -1.274 61.095 62.300 0.116 0.000 0.848 10 V CB 1.363 33.242 31.823 0.094 0.000 0.998 10 V HN 0.822 nan 8.190 nan 0.000 0.424 11 N N 4.176 122.915 118.700 0.065 0.000 2.727 11 N HA -0.222 4.518 4.740 -0.000 0.000 0.249 11 N C 1.219 176.753 175.510 0.041 0.000 1.048 11 N CA 1.564 54.632 53.050 0.030 0.000 0.714 11 N CB -1.064 37.424 38.487 0.002 0.000 0.959 11 N HN 1.540 nan 8.380 nan 0.000 0.544 12 G N -1.088 107.759 108.800 0.079 0.000 2.234 12 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.260 12 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.260 12 G C 0.056 175.070 174.900 0.190 0.000 0.987 12 G CA 0.865 46.022 45.100 0.096 0.000 0.625 12 G HN 0.650 nan 8.290 nan 0.000 0.532 13 K N 1.043 121.504 120.400 0.103 0.000 2.201 13 K HA 0.478 4.798 4.320 -0.000 0.000 0.278 13 K C 0.484 176.919 176.600 -0.276 0.000 1.027 13 K CA -0.711 55.562 56.287 -0.023 0.000 0.909 13 K CB 0.578 33.034 32.500 -0.073 0.000 1.062 13 K HN 0.180 nan 8.250 nan 0.000 0.465 14 K N 3.101 123.168 120.400 -0.555 0.000 2.350 14 K HA 0.134 4.454 4.320 -0.000 0.000 0.279 14 K C -1.159 174.989 176.600 -0.754 0.000 1.027 14 K CA -0.393 55.139 56.287 -1.260 0.000 0.969 14 K CB 0.788 32.708 32.500 -0.966 0.000 0.954 14 K HN 0.292 nan 8.250 nan 0.000 0.474 15 V N 4.900 124.300 119.914 -0.857 0.000 2.487 15 V HA 0.278 4.398 4.120 -0.000 0.000 0.298 15 V C -0.804 174.993 176.094 -0.494 0.000 1.028 15 V CA -0.950 60.956 62.300 -0.657 0.000 0.860 15 V CB 1.851 33.082 31.823 -0.987 0.000 0.991 15 V HN 0.529 nan 8.190 nan 0.000 0.427 16 V N 3.721 123.479 119.914 -0.261 0.000 2.326 16 V HA 0.450 4.570 4.120 -0.000 0.000 0.281 16 V C -0.279 175.792 176.094 -0.039 0.000 1.015 16 V CA -0.587 61.645 62.300 -0.113 0.000 0.823 16 V CB 1.556 33.338 31.823 -0.068 0.000 1.009 16 V HN 0.916 nan 8.190 nan 0.000 0.436 17 E N 4.012 124.214 120.200 0.003 0.000 2.055 17 E HA 0.354 4.704 4.350 -0.000 0.000 0.274 17 E C 0.691 177.311 176.600 0.034 0.000 0.949 17 E CA -0.242 56.182 56.400 0.040 0.000 0.775 17 E CB 1.225 30.940 29.700 0.024 0.000 1.097 17 E HN 0.528 nan 8.360 nan 0.000 0.404 18 K N 2.987 123.415 120.400 0.046 0.000 2.366 18 K HA 0.108 4.428 4.320 -0.000 0.000 0.198 18 K C -0.027 176.608 176.600 0.059 0.000 1.044 18 K CA 0.453 56.775 56.287 0.057 0.000 0.973 18 K CB 0.283 32.812 32.500 0.049 0.000 0.767 18 K HN 0.329 nan 8.250 nan 0.000 0.475 19 N N 0.889 119.615 118.700 0.042 0.000 2.723 19 N HA 0.152 4.892 4.740 -0.000 0.000 0.290 19 N C -1.336 174.174 175.510 0.000 0.000 1.882 19 N CA -0.119 52.955 53.050 0.040 0.000 0.851 19 N CB 1.493 40.007 38.487 0.046 0.000 1.234 19 N HN 0.032 nan 8.380 nan 0.000 0.491 20 A N 0.640 123.411 122.820 -0.082 0.000 2.492 20 A HA 0.091 4.411 4.320 -0.000 0.000 0.254 20 A C 0.227 177.715 177.584 -0.160 0.000 1.091 20 A CA 0.169 52.068 52.037 -0.229 0.000 0.768 20 A CB 0.408 19.040 19.000 -0.613 0.000 1.028 20 A HN 0.279 nan 8.150 nan 0.000 0.498 21 D N 3.229 123.551 120.400 -0.131 0.000 2.232 21 D HA 0.335 4.975 4.640 -0.000 0.000 0.242 21 D C -1.851 174.372 176.300 -0.128 0.000 1.093 21 D CA -1.813 52.147 54.000 -0.067 0.000 0.845 21 D CB 1.694 42.480 40.800 -0.024 0.000 1.124 21 D HN 0.136 nan 8.370 nan 0.000 0.467 22 P HA -0.111 nan 4.420 nan 0.000 0.218 22 P C 0.470 177.759 177.300 -0.018 0.000 1.146 22 P CA 1.111 64.182 63.100 -0.048 0.000 0.813 22 P CB 0.327 32.184 31.700 0.261 0.000 0.778 23 E N -1.748 118.458 120.200 0.010 0.000 2.489 23 E HA 0.020 4.370 4.350 -0.000 0.000 0.193 23 E C 0.059 176.642 176.600 -0.029 0.000 1.057 23 E CA 0.305 56.715 56.400 0.017 0.000 0.866 23 E CB -0.278 29.435 29.700 0.022 0.000 0.916 23 E HN 0.214 nan 8.360 nan 0.000 0.500 24 T N 2.260 116.771 114.554 -0.072 0.000 2.779 24 T HA 0.092 4.442 4.350 -0.000 0.000 0.296 24 T C 0.366 175.017 174.700 -0.083 0.000 0.938 24 T CA -0.204 61.859 62.100 -0.062 0.000 1.119 24 T CB 0.949 69.791 68.868 -0.043 0.000 0.891 24 T HN 0.142 nan 8.240 nan 0.000 0.526 25 T N 1.521 116.056 114.554 -0.032 0.000 2.899 25 T HA 0.304 4.654 4.350 -0.000 0.000 0.284 25 T C 1.379 176.072 174.700 -0.011 0.000 1.004 25 T CA -1.002 61.082 62.100 -0.026 0.000 1.043 25 T CB 0.774 69.649 68.868 0.013 0.000 1.013 25 T HN 0.274 nan 8.240 nan 0.000 0.518 26 L N 1.841 123.043 121.223 -0.036 0.000 2.079 26 L HA 0.043 4.383 4.340 -0.000 0.000 0.210 26 L C 2.107 179.022 176.870 0.076 0.000 1.081 26 L CA 1.578 56.413 54.840 -0.008 0.000 0.752 26 L CB -1.291 40.738 42.059 -0.049 0.000 0.896 26 L HN 0.792 nan 8.230 nan 0.000 0.433 27 L N 0.053 121.309 121.223 0.056 0.000 1.989 27 L HA -0.117 4.223 4.340 -0.000 0.000 0.211 27 L C 2.528 179.436 176.870 0.063 0.000 1.071 27 L CA 2.237 57.112 54.840 0.059 0.000 0.749 27 L CB -1.243 40.848 42.059 0.054 0.000 0.890 27 L HN 0.277 nan 8.230 nan 0.000 0.431 28 A N -1.662 121.193 122.820 0.057 0.000 1.902 28 A HA -0.283 4.037 4.320 -0.000 0.000 0.217 28 A C 2.305 179.924 177.584 0.058 0.000 1.181 28 A CA 1.857 53.917 52.037 0.038 0.000 0.623 28 A CB -1.215 17.793 19.000 0.012 0.000 0.818 28 A HN 0.621 nan 8.150 nan 0.000 0.443 29 Y N 0.322 120.613 120.300 -0.016 0.000 2.145 29 Y HA -0.158 4.392 4.550 -0.000 0.000 0.286 29 Y C 2.090 178.004 175.900 0.023 0.000 1.145 29 Y CA 1.848 59.952 58.100 0.006 0.000 1.148 29 Y CB -0.261 38.215 38.460 0.027 0.000 0.981 29 Y HN 0.230 nan 8.280 nan 0.000 0.507 30 L N -0.541 120.771 121.223 0.148 0.000 2.017 30 L HA -0.263 4.077 4.340 -0.000 0.000 0.208 30 L C 2.550 179.414 176.870 -0.009 0.000 1.073 30 L CA 1.749 56.633 54.840 0.074 0.000 0.745 30 L CB -0.475 41.635 42.059 0.086 0.000 0.894 30 L HN 0.137 nan 8.230 nan 0.000 0.432 31 R N -0.414 120.086 120.500 -0.001 0.000 2.073 31 R HA -0.050 4.289 4.340 -0.000 0.000 0.229 31 R C 2.315 178.595 176.300 -0.034 0.000 1.120 31 R CA 1.042 57.137 56.100 -0.008 0.000 0.967 31 R CB -0.098 30.213 30.300 0.018 0.000 0.862 31 R HN 0.355 nan 8.270 nan 0.000 0.436 32 R N -0.343 120.120 120.500 -0.062 0.000 2.237 32 R HA 0.067 4.407 4.340 -0.000 0.000 0.195 32 R C 1.815 178.027 176.300 -0.147 0.000 0.956 32 R CA 0.515 56.570 56.100 -0.075 0.000 1.029 32 R CB 0.198 30.459 30.300 -0.064 0.000 0.972 32 R HN -0.106 nan 8.270 nan 0.000 0.493 33 K N 0.683 120.917 120.400 -0.277 0.000 2.350 33 K HA 0.196 4.516 4.320 -0.000 0.000 0.196 33 K C 1.378 177.776 176.600 -0.336 0.000 1.084 33 K CA 0.685 56.729 56.287 -0.404 0.000 0.967 33 K CB 0.483 32.460 32.500 -0.871 0.000 0.950 33 K HN 0.020 nan 8.250 nan 0.000 0.512 34 L N -0.684 120.368 121.223 -0.285 0.000 2.616 34 L HA 0.318 4.657 4.340 -0.000 0.000 0.229 34 L C 0.801 177.612 176.870 -0.098 0.000 1.110 34 L CA 0.367 55.108 54.840 -0.165 0.000 0.884 34 L CB 0.143 42.145 42.059 -0.096 0.000 1.115 34 L HN 0.447 nan 8.230 nan 0.000 0.481 35 G N 1.422 110.169 108.800 -0.089 0.000 2.179 35 G HA2 -0.291 3.668 3.960 -0.000 0.000 0.257 35 G HA3 -0.291 3.668 3.960 -0.000 0.000 0.257 35 G C 0.139 175.015 174.900 -0.040 0.000 1.010 35 G CA -0.011 45.053 45.100 -0.060 0.000 0.736 35 G HN 0.279 nan 8.290 nan 0.000 0.513 36 L N 0.077 121.282 121.223 -0.031 0.000 2.353 36 L HA 0.412 4.752 4.340 -0.000 0.000 0.269 36 L C 1.553 178.418 176.870 -0.008 0.000 1.085 36 L CA -0.679 54.151 54.840 -0.016 0.000 0.938 36 L CB 0.759 42.815 42.059 -0.006 0.000 1.312 36 L HN 0.134 nan 8.230 nan 0.000 0.429 37 R N 1.134 121.631 120.500 -0.004 0.000 2.335 37 R HA 0.081 4.420 4.340 -0.000 0.000 0.223 37 R C 1.896 178.197 176.300 0.002 0.000 0.940 37 R CA 0.362 56.467 56.100 0.008 0.000 1.086 37 R CB 0.221 30.535 30.300 0.023 0.000 1.073 37 R HN 0.745 nan 8.270 nan 0.000 0.504 38 G N 0.630 109.425 108.800 -0.010 0.000 2.408 38 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.217 38 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.217 38 G C 0.558 175.417 174.900 -0.069 0.000 1.150 38 G CA 0.388 45.474 45.100 -0.024 0.000 0.776 38 G HN 0.183 nan 8.290 nan 0.000 0.542 39 T N 2.324 116.845 114.554 -0.055 0.000 2.851 39 T HA 0.424 4.773 4.350 -0.000 0.000 0.298 39 T C -0.022 174.615 174.700 -0.105 0.000 0.977 39 T CA -0.134 61.926 62.100 -0.066 0.000 1.126 39 T CB 1.433 70.290 68.868 -0.019 0.000 0.916 39 T HN -0.002 nan 8.240 nan 0.000 0.529 40 K N 1.913 122.198 120.400 -0.191 0.000 2.238 40 K HA 0.556 4.875 4.320 -0.000 0.000 0.239 40 K C -0.643 175.923 176.600 -0.057 0.000 0.987 40 K CA -1.151 54.980 56.287 -0.261 0.000 0.857 40 K CB 1.764 33.725 32.500 -0.899 0.000 1.154 40 K HN 0.396 nan 8.250 nan 0.000 0.439 41 L N 0.264 121.535 121.223 0.079 0.000 2.272 41 L HA 0.495 4.835 4.340 -0.000 0.000 0.289 41 L C 0.635 177.668 176.870 0.272 0.000 1.032 41 L CA 0.511 55.446 54.840 0.159 0.000 0.810 41 L CB 1.260 43.411 42.059 0.153 0.000 1.205 41 L HN 0.814 nan 8.230 nan 0.000 0.422 42 G N 2.152 111.097 108.800 0.242 0.000 2.727 42 G HA2 0.122 4.082 3.960 -0.000 0.000 0.207 42 G HA3 0.122 4.082 3.960 -0.000 0.000 0.207 42 G C 0.684 175.702 174.900 0.197 0.000 1.060 42 G CA 0.684 45.947 45.100 0.272 0.000 0.814 42 G HN 0.920 nan 8.290 nan 0.000 0.576 43 C N -3.709 115.720 119.300 0.216 0.000 4.914 43 C HA 0.525 4.985 4.460 -0.000 0.000 0.505 43 C C 2.000 177.164 174.990 0.290 0.000 1.350 43 C CA 0.557 59.715 59.018 0.233 0.000 2.421 43 C CB 0.165 28.073 27.740 0.279 0.000 3.334 43 C HN 1.492 nan 8.230 nan 0.000 0.512 44 G N 2.713 111.670 108.800 0.262 0.000 2.166 44 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.260 44 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.260 44 G C 0.265 175.405 174.900 0.399 0.000 0.986 44 G CA 1.248 46.524 45.100 0.293 0.000 0.683 44 G HN 1.145 nan 8.290 nan 0.000 0.527 45 E N -1.512 118.869 120.200 0.301 0.000 2.758 45 E HA 0.453 4.803 4.350 -0.000 0.000 0.215 45 E C 1.468 178.158 176.600 0.150 0.000 0.985 45 E CA 0.260 56.782 56.400 0.203 0.000 1.102 45 E CB 0.280 29.949 29.700 -0.051 0.000 1.042 45 E HN 1.450 nan 8.360 nan 0.000 0.480 46 G N 0.690 109.593 108.800 0.172 0.000 2.162 46 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.260 46 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.260 46 G C 0.843 175.833 174.900 0.150 0.000 0.976 46 G CA 0.076 45.269 45.100 0.154 0.000 0.655 46 G HN 0.583 nan 8.290 nan 0.000 0.533 47 G N -0.823 108.074 108.800 0.162 0.000 3.126 47 G HA2 0.311 4.271 3.960 -0.000 0.000 0.224 47 G HA3 0.311 4.271 3.960 -0.000 0.000 0.224 47 G C 1.508 176.530 174.900 0.202 0.000 1.142 47 G CA 1.583 46.779 45.100 0.160 0.000 0.759 47 G HN 1.470 nan 8.290 nan 0.000 0.550 48 C N -2.859 116.587 119.300 0.242 0.000 3.097 48 C HA 0.569 5.029 4.460 -0.000 0.000 0.335 48 C C 2.177 177.325 174.990 0.263 0.000 1.283 48 C CA 0.649 59.839 59.018 0.287 0.000 1.778 48 C CB -0.024 27.939 27.740 0.370 0.000 2.365 48 C HN 1.026 nan 8.230 nan 0.000 0.627 49 G N 1.113 110.045 108.800 0.220 0.000 2.168 49 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.263 49 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.263 49 G C 1.210 176.213 174.900 0.171 0.000 0.977 49 G CA 0.794 46.014 45.100 0.200 0.000 0.659 49 G HN 1.510 nan 8.290 nan 0.000 0.533 50 A N -0.260 122.656 122.820 0.160 0.000 2.067 50 A HA 0.152 4.472 4.320 -0.000 0.000 0.219 50 A C 2.450 180.045 177.584 0.017 0.000 1.158 50 A CA 2.305 54.388 52.037 0.076 0.000 0.661 50 A CB -0.789 18.257 19.000 0.076 0.000 0.801 50 A HN 1.795 nan 8.150 nan 0.000 0.452 51 C N -1.822 117.516 119.300 0.063 0.000 2.693 51 C HA 0.357 4.817 4.460 -0.000 0.000 0.286 51 C C 0.820 175.842 174.990 0.054 0.000 1.277 51 C CA -0.512 58.534 59.018 0.046 0.000 1.705 51 C CB -2.173 25.610 27.740 0.071 0.000 1.879 51 C HN 0.312 nan 8.230 nan 0.000 0.607 52 T N 2.759 117.355 114.554 0.069 0.000 2.928 52 T HA 0.416 4.766 4.350 -0.000 0.000 0.305 52 T C 0.311 175.036 174.700 0.043 0.000 1.035 52 T CA 0.889 63.032 62.100 0.072 0.000 1.145 52 T CB 0.727 69.655 68.868 0.101 0.000 0.963 52 T HN 0.960 nan 8.240 nan 0.000 0.545 53 V N 1.187 121.121 119.914 0.033 0.000 3.182 53 V HA 0.773 4.892 4.120 -0.000 0.000 0.308 53 V C -0.746 175.346 176.094 -0.003 0.000 1.240 53 V CA -1.443 60.863 62.300 0.010 0.000 1.063 53 V CB 2.351 34.178 31.823 0.007 0.000 1.076 53 V HN 0.853 nan 8.190 nan 0.000 0.446 54 M N 1.837 121.429 119.600 -0.014 0.000 2.472 54 M HA 0.712 5.192 4.480 -0.000 0.000 0.331 54 M C -1.844 174.385 176.300 -0.117 0.000 1.170 54 M CA -0.742 54.532 55.300 -0.042 0.000 1.009 54 M CB 1.686 34.322 32.600 0.059 0.000 1.672 54 M HN 0.748 nan 8.290 nan 0.000 0.453 55 L N 2.731 123.750 121.223 -0.340 0.000 2.365 55 L HA 0.594 4.933 4.340 -0.000 0.000 0.273 55 L C -0.843 175.781 176.870 -0.410 0.000 1.000 55 L CA -0.589 53.984 54.840 -0.445 0.000 0.819 55 L CB 2.301 43.883 42.059 -0.794 0.000 1.284 55 L HN 0.684 nan 8.230 nan 0.000 0.418 56 S N 2.274 117.952 115.700 -0.037 0.000 2.521 56 S HA 0.731 5.201 4.470 -0.000 0.000 0.295 56 S C -1.030 173.754 174.600 0.307 0.000 1.098 56 S CA -0.848 57.448 58.200 0.161 0.000 0.999 56 S CB 2.286 65.750 63.200 0.440 0.000 1.034 56 S HN 0.666 nan 8.310 nan 0.000 0.483 57 K N 0.682 121.219 120.400 0.227 0.000 2.555 57 K HA 0.466 4.786 4.320 -0.000 0.000 0.279 57 K C -1.906 174.689 176.600 -0.009 0.000 0.986 57 K CA -1.000 55.454 56.287 0.278 0.000 0.880 57 K CB 1.012 33.684 32.500 0.287 0.000 1.474 57 K HN 0.494 nan 8.250 nan 0.000 0.433 58 Y N 2.011 122.267 120.300 -0.074 0.000 2.383 58 Y HA 0.197 4.747 4.550 -0.000 0.000 0.344 58 Y C -0.651 175.190 175.900 -0.097 0.000 0.986 58 Y CA -0.493 57.479 58.100 -0.213 0.000 1.175 58 Y CB 0.992 39.359 38.460 -0.155 0.000 1.152 58 Y HN 0.695 nan 8.280 nan 0.000 0.511 59 D N 6.560 126.542 120.400 -0.696 0.000 2.365 59 D HA 0.123 4.763 4.640 -0.000 0.000 0.237 59 D C 0.741 176.581 176.300 -0.767 0.000 1.190 59 D CA 0.032 53.716 54.000 -0.526 0.000 0.867 59 D CB 0.776 41.369 40.800 -0.346 0.000 1.050 59 D HN 0.828 nan 8.370 nan 0.000 0.491 60 R N 2.723 122.951 120.500 -0.454 0.000 2.091 60 R HA -0.074 4.266 4.340 -0.000 0.000 0.238 60 R C 1.987 178.178 176.300 -0.182 0.000 1.136 60 R CA 1.012 56.966 56.100 -0.244 0.000 0.959 60 R CB 0.085 30.363 30.300 -0.037 0.000 0.856 60 R HN 0.513 nan 8.270 nan 0.000 0.437 61 L N 0.264 121.391 121.223 -0.160 0.000 2.291 61 L HA -0.130 4.210 4.340 -0.000 0.000 0.214 61 L C 1.806 178.597 176.870 -0.131 0.000 1.120 61 L CA 1.196 55.969 54.840 -0.113 0.000 0.799 61 L CB -0.183 41.824 42.059 -0.086 0.000 0.925 61 L HN 0.282 nan 8.230 nan 0.000 0.446 62 Q N -1.217 118.467 119.800 -0.194 0.000 2.281 62 Q HA -0.014 4.325 4.340 -0.000 0.000 0.215 62 Q C -0.220 175.661 176.000 -0.198 0.000 0.867 62 Q CA -0.145 55.553 55.803 -0.175 0.000 0.940 62 Q CB 0.552 29.182 28.738 -0.180 0.000 1.111 62 Q HN 0.179 nan 8.270 nan 0.000 0.513 63 D N 1.711 121.938 120.400 -0.289 0.000 2.735 63 D HA -0.188 4.452 4.640 -0.000 0.000 0.235 63 D C -0.832 175.357 176.300 -0.185 0.000 1.175 63 D CA 1.180 55.055 54.000 -0.209 0.000 0.683 63 D CB -0.619 40.171 40.800 -0.018 0.000 1.008 63 D HN 0.210 nan 8.370 nan 0.000 0.416 64 K N 0.508 120.669 120.400 -0.399 0.000 2.597 64 K HA 0.411 4.731 4.320 -0.000 0.000 0.282 64 K C -0.854 175.545 176.600 -0.334 0.000 0.975 64 K CA -0.873 55.269 56.287 -0.241 0.000 0.867 64 K CB 0.967 33.357 32.500 -0.184 0.000 1.465 64 K HN 0.074 nan 8.250 nan 0.000 0.417 65 I N 5.023 125.421 120.570 -0.286 0.000 2.325 65 I HA 0.268 4.438 4.170 -0.000 0.000 0.291 65 I C 0.407 176.250 176.117 -0.457 0.000 1.019 65 I CA -0.719 60.306 61.300 -0.457 0.000 1.302 65 I CB 0.640 38.288 38.000 -0.587 0.000 1.401 65 I HN 0.425 nan 8.210 nan 0.000 0.485 66 I N 3.547 123.871 120.570 -0.411 0.000 2.562 66 I HA 0.548 4.718 4.170 -0.000 0.000 0.301 66 I C -0.802 175.126 176.117 -0.314 0.000 1.003 66 I CA -0.581 60.552 61.300 -0.279 0.000 1.127 66 I CB 1.815 39.778 38.000 -0.062 0.000 1.304 66 I HN 0.436 nan 8.210 nan 0.000 0.446 67 H N 5.690 124.836 119.070 0.128 0.000 2.589 67 H HA 0.627 5.182 4.556 -0.000 0.000 0.351 67 H C -1.242 174.196 175.328 0.183 0.000 1.074 67 H CA -0.402 55.691 56.048 0.075 0.000 1.203 67 H CB 1.946 31.701 29.762 -0.013 0.000 1.558 67 H HN 0.743 nan 8.280 nan 0.000 0.522 68 F N -0.519 119.494 119.950 0.107 0.000 2.686 68 F HA 0.551 5.078 4.527 -0.000 0.000 0.311 68 F C -0.374 175.458 175.800 0.054 0.000 1.128 68 F CA -1.224 56.803 58.000 0.046 0.000 0.946 68 F CB 1.121 40.132 39.000 0.018 0.000 1.336 68 F HN 0.379 nan 8.300 nan 0.000 0.457 69 S N 1.251 117.053 115.700 0.170 0.000 2.672 69 S HA 0.962 5.432 4.470 -0.000 0.000 0.276 69 S C -0.563 174.132 174.600 0.158 0.000 1.207 69 S CA -0.052 58.195 58.200 0.080 0.000 1.002 69 S CB 1.521 64.758 63.200 0.061 0.000 0.998 69 S HN 1.848 nan 8.310 nan 0.000 0.542 70 A N 1.132 124.011 122.820 0.099 0.000 2.605 70 A HA 0.603 4.923 4.320 -0.000 0.000 0.294 70 A C -1.315 176.328 177.584 0.099 0.000 1.062 70 A CA -1.127 50.989 52.037 0.132 0.000 0.682 70 A CB 0.589 19.680 19.000 0.151 0.000 1.278 70 A HN 0.860 nan 8.150 nan 0.000 0.410 71 N N 1.274 120.041 118.700 0.112 0.000 2.401 71 N HA 0.412 5.152 4.740 -0.000 0.000 0.255 71 N C 1.143 176.706 175.510 0.088 0.000 1.110 71 N CA 0.335 53.449 53.050 0.106 0.000 0.949 71 N CB 1.567 40.128 38.487 0.124 0.000 1.110 71 N HN 0.811 nan 8.380 nan 0.000 0.490 72 A N 1.475 124.338 122.820 0.070 0.000 2.070 72 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 72 A C 2.132 179.753 177.584 0.062 0.000 1.159 72 A CA 1.094 53.163 52.037 0.053 0.000 0.656 72 A CB -0.842 18.185 19.000 0.045 0.000 0.800 72 A HN 0.937 nan 8.150 nan 0.000 0.453 73 C N -2.355 116.996 119.300 0.084 0.000 2.456 73 C HA 0.334 4.794 4.460 -0.000 0.000 0.279 73 C C 1.888 176.939 174.990 0.103 0.000 1.427 73 C CA 0.602 59.678 59.018 0.095 0.000 1.778 73 C CB -1.348 26.466 27.740 0.125 0.000 1.842 73 C HN 0.450 nan 8.230 nan 0.000 0.531 74 L N 0.489 121.775 121.223 0.106 0.000 2.817 74 L HA 0.366 4.706 4.340 -0.000 0.000 0.248 74 L C 1.464 178.392 176.870 0.096 0.000 1.133 74 L CA 0.193 55.102 54.840 0.116 0.000 0.935 74 L CB -0.128 42.014 42.059 0.137 0.000 1.266 74 L HN 0.227 nan 8.230 nan 0.000 0.535 75 A N 1.711 124.571 122.820 0.068 0.000 2.350 75 A HA 0.467 4.787 4.320 -0.000 0.000 0.293 75 A C -2.408 175.159 177.584 -0.028 0.000 1.231 75 A CA -1.110 50.950 52.037 0.038 0.000 0.883 75 A CB -0.432 18.582 19.000 0.023 0.000 1.133 75 A HN -0.096 nan 8.150 nan 0.000 0.533 76 P HA 0.124 nan 4.420 nan 0.000 0.276 76 P C 1.178 178.285 177.300 -0.322 0.000 1.235 76 P CA -0.351 62.653 63.100 -0.161 0.000 0.772 76 P CB 0.587 32.203 31.700 -0.140 0.000 0.871 77 I N -0.077 120.246 120.570 -0.411 0.000 2.530 77 I HA -0.227 3.943 4.170 -0.000 0.000 0.257 77 I C 1.117 176.827 176.117 -0.678 0.000 1.179 77 I CA 1.420 62.359 61.300 -0.600 0.000 1.440 77 I CB -0.970 36.599 38.000 -0.718 0.000 1.087 77 I HN 0.175 nan 8.210 nan 0.000 0.440 78 C N 1.936 120.751 119.300 -0.808 0.000 2.466 78 C HA -0.039 4.421 4.460 -0.000 0.000 0.283 78 C C 2.759 177.381 174.990 -0.612 0.000 1.472 78 C CA 1.464 59.853 59.018 -1.048 0.000 1.765 78 C CB -1.798 24.838 27.740 -1.840 0.000 1.724 78 C HN 0.738 nan 8.230 nan 0.000 0.560 79 T N -2.712 111.637 114.554 -0.342 0.000 3.060 79 T HA 0.204 4.554 4.350 -0.000 0.000 0.249 79 T C 0.988 175.731 174.700 0.073 0.000 1.079 79 T CA 0.430 62.550 62.100 0.034 0.000 1.013 79 T CB -0.255 68.698 68.868 0.142 0.000 0.975 79 T HN 0.470 nan 8.240 nan 0.000 0.518 80 L N 0.742 121.911 121.223 -0.090 0.000 2.653 80 L HA 0.362 4.702 4.340 -0.000 0.000 0.231 80 L C 0.724 177.670 176.870 0.127 0.000 1.153 80 L CA -0.617 54.186 54.840 -0.062 0.000 0.933 80 L CB -0.821 40.979 42.059 -0.431 0.000 1.175 80 L HN 0.291 nan 8.230 nan 0.000 0.473 81 H N 1.116 120.300 119.070 0.189 0.000 3.125 81 H HA -0.055 4.501 4.556 -0.000 0.000 0.310 81 H C 0.481 176.083 175.328 0.457 0.000 0.980 81 H CA 0.753 57.008 56.048 0.344 0.000 1.422 81 H CB -0.161 29.868 29.762 0.444 0.000 1.432 81 H HN 0.211 nan 8.280 nan 0.000 0.577 82 H N 1.142 120.181 119.070 -0.053 0.000 2.791 82 H HA -0.158 4.398 4.556 -0.000 0.000 0.302 82 H C -0.745 174.690 175.328 0.179 0.000 1.198 82 H CA 0.198 56.263 56.048 0.028 0.000 1.145 82 H CB -1.378 28.347 29.762 -0.061 0.000 1.385 82 H HN 0.176 nan 8.280 nan 0.000 0.409 83 V N 0.097 120.222 119.914 0.351 0.000 2.715 83 V HA 0.701 4.821 4.120 -0.000 0.000 0.310 83 V C 0.173 176.432 176.094 0.275 0.000 1.054 83 V CA -0.238 62.233 62.300 0.285 0.000 0.928 83 V CB 1.979 33.938 31.823 0.226 0.000 1.007 83 V HN 0.381 nan 8.190 nan 0.000 0.437 84 A N 3.701 126.633 122.820 0.186 0.000 2.258 84 A HA 0.767 5.087 4.320 -0.000 0.000 0.316 84 A C -0.636 177.032 177.584 0.139 0.000 1.279 84 A CA -0.431 51.688 52.037 0.136 0.000 0.876 84 A CB 0.873 19.821 19.000 -0.087 0.000 1.170 84 A HN 0.633 nan 8.150 nan 0.000 0.520 85 V N 2.356 122.377 119.914 0.178 0.000 2.539 85 V HA 0.567 4.687 4.120 -0.000 0.000 0.292 85 V C 0.319 176.463 176.094 0.084 0.000 1.045 85 V CA -0.139 62.230 62.300 0.115 0.000 0.945 85 V CB 1.676 33.595 31.823 0.160 0.000 0.993 85 V HN 0.892 nan 8.190 nan 0.000 0.464 86 T N 2.965 117.542 114.554 0.039 0.000 2.840 86 T HA 0.549 4.899 4.350 -0.000 0.000 0.287 86 T C 0.049 174.726 174.700 -0.038 0.000 0.991 86 T CA -0.521 61.579 62.100 -0.001 0.000 0.964 86 T CB 1.503 70.373 68.868 0.003 0.000 0.954 86 T HN 0.950 nan 8.240 nan 0.000 0.438 87 T N -0.798 113.724 114.554 -0.054 0.000 2.922 87 T HA 0.479 4.829 4.350 -0.000 0.000 0.281 87 T C 1.543 176.170 174.700 -0.121 0.000 1.005 87 T CA -0.619 61.445 62.100 -0.060 0.000 0.982 87 T CB 1.119 69.972 68.868 -0.025 0.000 1.158 87 T HN 0.192 nan 8.240 nan 0.000 0.566 88 V N 0.811 120.665 119.914 -0.100 0.000 2.392 88 V HA -0.146 3.974 4.120 -0.000 0.000 0.249 88 V C 2.336 178.361 176.094 -0.114 0.000 1.059 88 V CA 2.390 64.619 62.300 -0.119 0.000 1.051 88 V CB -1.086 30.699 31.823 -0.063 0.000 0.658 88 V HN 0.950 nan 8.190 nan 0.000 0.455 89 E N 0.402 120.556 120.200 -0.077 0.000 2.268 89 E HA -0.034 4.316 4.350 -0.000 0.000 0.195 89 E C 2.076 178.630 176.600 -0.075 0.000 0.995 89 E CA 1.062 57.426 56.400 -0.059 0.000 0.836 89 E CB -0.608 29.070 29.700 -0.037 0.000 0.763 89 E HN 0.673 nan 8.360 nan 0.000 0.491 90 G N 0.923 109.660 108.800 -0.105 0.000 2.744 90 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.211 90 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.211 90 G C 1.469 176.271 174.900 -0.162 0.000 1.143 90 G CA 0.540 45.575 45.100 -0.108 0.000 0.788 90 G HN 0.420 nan 8.290 nan 0.000 0.534 91 I N -3.636 116.785 120.570 -0.249 0.000 4.070 91 I HA 0.582 4.752 4.170 -0.000 0.000 0.328 91 I C 0.715 176.789 176.117 -0.073 0.000 1.298 91 I CA 0.222 61.344 61.300 -0.297 0.000 1.173 91 I CB 0.750 38.278 38.000 -0.787 0.000 1.051 91 I HN 0.076 nan 8.210 nan 0.000 0.409 92 G N 0.861 109.630 108.800 -0.051 0.000 2.321 92 G HA2 0.427 4.386 3.960 -0.000 0.000 0.298 92 G HA3 0.427 4.386 3.960 -0.000 0.000 0.298 92 G C -1.264 173.636 174.900 0.001 0.000 1.385 92 G CA 0.008 45.115 45.100 0.012 0.000 0.856 92 G HN 0.613 nan 8.290 nan 0.000 0.584 93 S N -2.454 113.255 115.700 0.014 0.000 2.615 93 S HA 0.655 5.125 4.470 -0.000 0.000 0.268 93 S C 0.958 175.568 174.600 0.017 0.000 1.146 93 S CA 0.952 59.159 58.200 0.011 0.000 0.818 93 S CB 1.040 64.240 63.200 0.001 0.000 1.111 93 S HN 2.186 nan 8.310 nan 0.000 0.465 94 T N -0.820 113.745 114.554 0.017 0.000 3.035 94 T HA 0.123 4.473 4.350 -0.000 0.000 0.268 94 T C 1.208 175.915 174.700 0.011 0.000 1.109 94 T CA 0.780 62.892 62.100 0.019 0.000 1.119 94 T CB -0.503 68.379 68.868 0.024 0.000 0.900 94 T HN 0.643 nan 8.240 nan 0.000 0.503 95 K N 1.044 121.447 120.400 0.006 0.000 2.296 95 K HA 0.027 4.347 4.320 -0.000 0.000 0.200 95 K C 2.267 178.868 176.600 0.001 0.000 1.048 95 K CA 1.503 57.790 56.287 -0.000 0.000 0.966 95 K CB 0.024 32.521 32.500 -0.006 0.000 0.754 95 K HN 0.677 nan 8.250 nan 0.000 0.466 96 T N -2.057 112.500 114.554 0.005 0.000 3.479 96 T HA 0.204 4.554 4.350 -0.000 0.000 0.197 96 T C 0.224 174.932 174.700 0.013 0.000 0.912 96 T CA -0.518 61.586 62.100 0.007 0.000 1.281 96 T CB 0.280 69.152 68.868 0.007 0.000 1.588 96 T HN -0.044 nan 8.240 nan 0.000 0.389 97 R N -0.069 120.443 120.500 0.019 0.000 2.566 97 R HA 0.554 4.894 4.340 -0.000 0.000 0.271 97 R C -1.685 174.636 176.300 0.035 0.000 1.071 97 R CA -0.701 55.413 56.100 0.024 0.000 0.915 97 R CB 1.616 31.929 30.300 0.022 0.000 1.228 97 R HN 0.414 nan 8.270 nan 0.000 0.449 98 L N 3.740 124.985 121.223 0.037 0.000 2.397 98 L HA 0.248 4.588 4.340 -0.000 0.000 0.271 98 L C 0.743 177.661 176.870 0.080 0.000 1.148 98 L CA -0.395 54.479 54.840 0.057 0.000 0.825 98 L CB 0.591 42.677 42.059 0.044 0.000 1.117 98 L HN 0.518 nan 8.230 nan 0.000 0.456 99 H N 4.513 123.596 119.070 0.023 0.000 2.615 99 H HA 0.114 4.670 4.556 -0.000 0.000 0.363 99 H C -1.950 173.429 175.328 0.085 0.000 1.148 99 H CA -1.629 54.450 56.048 0.051 0.000 1.401 99 H CB 1.879 31.660 29.762 0.032 0.000 1.461 99 H HN 0.328 nan 8.280 nan 0.000 0.588 100 P HA -0.219 nan 4.420 nan 0.000 0.218 100 P C 1.736 179.252 177.300 0.360 0.000 1.154 100 P CA 1.297 64.439 63.100 0.069 0.000 0.872 100 P CB 0.241 31.995 31.700 0.089 0.000 0.790 101 V N -0.573 119.727 119.914 0.643 0.000 2.332 101 V HA -0.300 3.819 4.120 -0.000 0.000 0.248 101 V C 2.446 178.782 176.094 0.404 0.000 1.055 101 V CA 1.943 64.565 62.300 0.536 0.000 1.038 101 V CB -1.256 30.735 31.823 0.281 0.000 0.651 101 V HN 0.219 nan 8.190 nan 0.000 0.450 102 Q N -0.393 119.575 119.800 0.280 0.000 2.079 102 Q HA -0.231 4.109 4.340 -0.000 0.000 0.200 102 Q C 2.361 178.401 176.000 0.067 0.000 0.974 102 Q CA 1.721 57.619 55.803 0.158 0.000 0.840 102 Q CB -0.216 28.590 28.738 0.114 0.000 0.898 102 Q HN 0.749 nan 8.270 nan 0.000 0.430 103 E N 1.268 121.481 120.200 0.023 0.000 2.058 103 E HA -0.224 4.126 4.350 -0.000 0.000 0.194 103 E C 2.003 178.436 176.600 -0.279 0.000 0.997 103 E CA 1.021 57.361 56.400 -0.099 0.000 0.801 103 E CB 0.131 29.762 29.700 -0.114 0.000 0.746 103 E HN 0.246 nan 8.360 nan 0.000 0.450 104 R N 0.263 120.529 120.500 -0.390 0.000 2.075 104 R HA -0.057 4.283 4.340 -0.000 0.000 0.232 104 R C 2.651 178.701 176.300 -0.416 0.000 1.126 104 R CA 1.304 56.979 56.100 -0.708 0.000 0.963 104 R CB -0.492 29.398 30.300 -0.685 0.000 0.858 104 R HN 0.325 nan 8.270 nan 0.000 0.435 105 I N 0.846 121.319 120.570 -0.161 0.000 2.361 105 I HA -0.229 3.941 4.170 -0.000 0.000 0.251 105 I C 2.191 178.176 176.117 -0.220 0.000 1.133 105 I CA 1.056 62.196 61.300 -0.267 0.000 1.413 105 I CB -0.041 37.897 38.000 -0.103 0.000 1.073 105 I HN 0.164 nan 8.210 nan 0.000 0.424 106 A N 0.625 123.351 122.820 -0.157 0.000 1.872 106 A HA -0.168 4.152 4.320 -0.000 0.000 0.214 106 A C 2.281 179.746 177.584 -0.198 0.000 1.187 106 A CA 1.352 53.315 52.037 -0.123 0.000 0.614 106 A CB -0.407 18.559 19.000 -0.057 0.000 0.826 106 A HN 0.348 nan 8.150 nan 0.000 0.442 107 K N 0.192 120.448 120.400 -0.240 0.000 2.217 107 K HA 0.015 4.335 4.320 -0.000 0.000 0.202 107 K C 1.619 177.907 176.600 -0.520 0.000 1.051 107 K CA 1.203 57.343 56.287 -0.246 0.000 0.952 107 K CB -0.056 32.441 32.500 -0.005 0.000 0.736 107 K HN 0.345 nan 8.250 nan 0.000 0.453 108 S N 0.109 115.449 115.700 -0.600 0.000 2.603 108 S HA -0.002 4.468 4.470 -0.000 0.000 0.220 108 S C -0.363 174.008 174.600 -0.381 0.000 0.967 108 S CA 0.023 57.749 58.200 -0.790 0.000 0.920 108 S CB -0.189 62.450 63.200 -0.934 0.000 0.773 108 S HN 0.310 nan 8.310 nan 0.000 0.529 109 H N -1.442 117.574 119.070 -0.090 0.000 2.936 109 H HA -0.141 4.415 4.556 -0.000 0.000 0.276 109 H C 1.104 176.389 175.328 -0.071 0.000 1.216 109 H CA 0.674 56.701 56.048 -0.035 0.000 1.132 109 H CB -1.794 27.975 29.762 0.012 0.000 1.303 109 H HN 0.491 nan 8.280 nan 0.000 0.370 110 G N -0.130 108.612 108.800 -0.097 0.000 3.181 110 G HA2 0.210 4.170 3.960 -0.000 0.000 0.219 110 G HA3 0.210 4.170 3.960 -0.000 0.000 0.219 110 G C 0.398 175.244 174.900 -0.090 0.000 1.182 110 G CA 0.755 45.779 45.100 -0.127 0.000 0.791 110 G HN 0.347 nan 8.290 nan 0.000 0.537 111 S N -1.000 114.671 115.700 -0.049 0.000 2.672 111 S HA 0.495 4.965 4.470 -0.000 0.000 0.291 111 S C 0.288 174.856 174.600 -0.053 0.000 1.145 111 S CA -0.637 57.535 58.200 -0.046 0.000 1.013 111 S CB 1.807 64.975 63.200 -0.052 0.000 1.017 111 S HN 0.318 nan 8.310 nan 0.000 0.487 112 Q N 1.656 121.432 119.800 -0.041 0.000 2.558 112 Q HA 0.099 4.439 4.340 -0.000 0.000 0.186 112 Q C 2.251 178.200 176.000 -0.085 0.000 0.894 112 Q CA 0.878 56.666 55.803 -0.026 0.000 0.830 112 Q CB -0.435 28.334 28.738 0.052 0.000 1.107 112 Q HN 0.962 nan 8.270 nan 0.000 0.620 113 C N -0.416 118.900 119.300 0.027 0.000 2.446 113 C HA 0.323 4.783 4.460 -0.000 0.000 0.279 113 C C 1.749 176.845 174.990 0.177 0.000 1.366 113 C CA 0.524 59.593 59.018 0.084 0.000 1.763 113 C CB -1.016 26.786 27.740 0.103 0.000 1.929 113 C HN 0.878 nan 8.230 nan 0.000 0.509 114 G N -0.637 108.241 108.800 0.131 0.000 2.179 114 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.260 114 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.260 114 G C 0.415 175.440 174.900 0.208 0.000 0.977 114 G CA 0.503 45.709 45.100 0.178 0.000 0.641 114 G HN 0.561 nan 8.290 nan 0.000 0.533 115 F N 1.305 121.220 119.950 -0.058 0.000 2.325 115 F HA 0.031 4.558 4.527 -0.000 0.000 0.299 115 F C 2.788 178.539 175.800 -0.083 0.000 1.090 115 F CA 2.119 59.950 58.000 -0.283 0.000 1.392 115 F CB -0.177 38.606 39.000 -0.362 0.000 1.053 115 F HN 0.590 nan 8.300 nan 0.000 0.521 116 C N -2.059 117.305 119.300 0.106 0.000 2.673 116 C HA 0.114 4.574 4.460 -0.000 0.000 0.264 116 C C 2.442 177.482 174.990 0.084 0.000 1.304 116 C CA 0.610 59.690 59.018 0.103 0.000 1.727 116 C CB -1.451 26.389 27.740 0.166 0.000 1.932 116 C HN 0.345 nan 8.230 nan 0.000 0.563 117 T N 3.001 117.594 114.554 0.064 0.000 2.684 117 T HA -0.094 4.256 4.350 -0.000 0.000 0.267 117 T C -0.357 174.394 174.700 0.085 0.000 1.036 117 T CA 2.461 64.610 62.100 0.081 0.000 1.148 117 T CB -1.425 67.481 68.868 0.064 0.000 0.863 117 T HN 0.437 nan 8.240 nan 0.000 0.436 118 P HA -0.045 nan 4.420 nan 0.000 0.215 118 P C 1.825 179.156 177.300 0.050 0.000 1.157 118 P CA 1.273 64.382 63.100 0.016 0.000 0.868 118 P CB -0.522 31.149 31.700 -0.047 0.000 0.788 119 G N -0.443 108.391 108.800 0.056 0.000 2.418 119 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.217 119 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.217 119 G C 1.538 176.558 174.900 0.200 0.000 1.158 119 G CA 0.607 45.772 45.100 0.109 0.000 0.771 119 G HN 0.230 nan 8.290 nan 0.000 0.545 120 I N 0.129 120.851 120.570 0.253 0.000 2.315 120 I HA -0.114 4.056 4.170 -0.000 0.000 0.248 120 I C 2.753 179.119 176.117 0.415 0.000 1.117 120 I CA 0.254 61.786 61.300 0.387 0.000 1.404 120 I CB -0.079 38.118 38.000 0.328 0.000 1.071 120 I HN 0.022 nan 8.210 nan 0.000 0.419 121 V N 0.515 120.602 119.914 0.289 0.000 2.332 121 V HA -0.303 3.817 4.120 -0.000 0.000 0.248 121 V C 2.470 178.647 176.094 0.138 0.000 1.055 121 V CA 1.590 64.031 62.300 0.234 0.000 1.038 121 V CB -0.403 31.504 31.823 0.140 0.000 0.651 121 V HN 0.373 nan 8.190 nan 0.000 0.450 122 M N -0.891 118.775 119.600 0.110 0.000 2.319 122 M HA -0.055 4.425 4.480 -0.000 0.000 0.265 122 M C 2.354 178.712 176.300 0.097 0.000 1.068 122 M CA 1.304 56.651 55.300 0.078 0.000 1.118 122 M CB -1.375 31.249 32.600 0.041 0.000 1.395 122 M HN 0.303 nan 8.290 nan 0.000 0.435 123 S N 0.474 116.253 115.700 0.132 0.000 2.368 123 S HA -0.104 4.366 4.470 -0.000 0.000 0.224 123 S C 1.841 176.372 174.600 -0.116 0.000 1.029 123 S CA 1.167 59.384 58.200 0.028 0.000 0.988 123 S CB -0.175 63.081 63.200 0.093 0.000 0.838 123 S HN 0.379 nan 8.310 nan 0.000 0.462 124 M N 0.518 120.114 119.600 -0.007 0.000 2.132 124 M HA -0.033 4.447 4.480 -0.000 0.000 0.263 124 M C 1.731 177.865 176.300 -0.276 0.000 1.065 124 M CA 1.435 56.593 55.300 -0.236 0.000 1.122 124 M CB -0.836 31.485 32.600 -0.465 0.000 1.365 124 M HN 0.381 nan 8.290 nan 0.000 0.411 125 Y N 0.375 120.506 120.300 -0.282 0.000 2.128 125 Y HA -0.249 4.301 4.550 -0.000 0.000 0.284 125 Y C 2.088 177.830 175.900 -0.263 0.000 1.154 125 Y CA 2.585 60.496 58.100 -0.314 0.000 1.149 125 Y CB -0.947 37.327 38.460 -0.310 0.000 0.976 125 Y HN 0.300 nan 8.280 nan 0.000 0.505 126 T N 1.322 115.780 114.554 -0.160 0.000 2.720 126 T HA -0.226 4.124 4.350 -0.000 0.000 0.268 126 T C 1.803 176.351 174.700 -0.253 0.000 1.037 126 T CA 1.537 63.520 62.100 -0.195 0.000 1.144 126 T CB -0.723 68.109 68.868 -0.060 0.000 0.864 126 T HN 0.350 nan 8.240 nan 0.000 0.444 127 L N 1.134 122.199 121.223 -0.264 0.000 1.989 127 L HA 0.003 4.343 4.340 -0.000 0.000 0.211 127 L C 2.147 178.848 176.870 -0.283 0.000 1.071 127 L CA 1.678 56.362 54.840 -0.259 0.000 0.749 127 L CB -0.814 41.065 42.059 -0.299 0.000 0.890 127 L HN 0.253 nan 8.230 nan 0.000 0.431 128 L N -0.765 120.229 121.223 -0.382 0.000 2.131 128 L HA -0.156 4.183 4.340 -0.000 0.000 0.210 128 L C 2.593 179.240 176.870 -0.372 0.000 1.092 128 L CA 0.638 55.242 54.840 -0.394 0.000 0.759 128 L CB -0.634 41.120 42.059 -0.509 0.000 0.903 128 L HN 0.261 nan 8.230 nan 0.000 0.435 129 R N -0.123 120.089 120.500 -0.479 0.000 2.189 129 R HA -0.017 4.323 4.340 -0.000 0.000 0.218 129 R C 1.662 177.836 176.300 -0.211 0.000 1.074 129 R CA 0.655 56.487 56.100 -0.446 0.000 0.991 129 R CB -0.623 29.274 30.300 -0.673 0.000 0.883 129 R HN 0.500 nan 8.270 nan 0.000 0.457 130 N N 0.153 118.757 118.700 -0.159 0.000 2.387 130 N HA -0.061 4.679 4.740 -0.000 0.000 0.176 130 N C -0.022 175.441 175.510 -0.079 0.000 1.022 130 N CA 0.431 53.441 53.050 -0.067 0.000 0.883 130 N CB 0.411 38.865 38.487 -0.055 0.000 1.019 130 N HN 0.036 nan 8.380 nan 0.000 0.435 131 Q N 0.234 119.964 119.800 -0.116 0.000 2.589 131 Q HA 0.343 4.683 4.340 -0.000 0.000 0.245 131 Q C -2.470 173.461 176.000 -0.114 0.000 0.931 131 Q CA -1.554 54.193 55.803 -0.093 0.000 0.730 131 Q CB 2.111 30.802 28.738 -0.078 0.000 1.315 131 Q HN -0.127 nan 8.270 nan 0.000 0.469 132 P HA -0.144 nan 4.420 nan 0.000 0.217 132 P C -0.559 176.715 177.300 -0.044 0.000 1.148 132 P CA 1.133 64.180 63.100 -0.088 0.000 0.828 132 P CB 0.357 32.027 31.700 -0.051 0.000 0.783 133 E N -0.506 119.684 120.200 -0.017 0.000 3.108 133 E HA 0.189 4.539 4.350 -0.000 0.000 0.228 133 E C -2.493 174.120 176.600 0.022 0.000 1.176 133 E CA -2.293 54.125 56.400 0.030 0.000 0.881 133 E CB 0.881 30.608 29.700 0.044 0.000 1.354 133 E HN 0.090 nan 8.360 nan 0.000 0.400 134 P HA 0.066 nan 4.420 nan 0.000 0.276 134 P C 0.028 177.357 177.300 0.048 0.000 1.252 134 P CA -0.211 62.893 63.100 0.007 0.000 0.802 134 P CB 1.193 32.877 31.700 -0.027 0.000 1.035 135 T N -2.628 111.949 114.554 0.038 0.000 2.847 135 T HA 0.183 4.533 4.350 -0.000 0.000 0.279 135 T C 1.511 176.259 174.700 0.079 0.000 0.984 135 T CA -0.681 61.453 62.100 0.057 0.000 0.988 135 T CB 0.037 68.928 68.868 0.038 0.000 1.040 135 T HN 0.081 nan 8.240 nan 0.000 0.528 136 V N 1.176 121.149 119.914 0.097 0.000 2.332 136 V HA -0.146 3.974 4.120 -0.000 0.000 0.248 136 V C 2.940 179.102 176.094 0.113 0.000 1.055 136 V CA 1.895 64.271 62.300 0.127 0.000 1.038 136 V CB -0.915 30.983 31.823 0.125 0.000 0.651 136 V HN 0.873 nan 8.190 nan 0.000 0.450 137 E N 0.201 120.448 120.200 0.079 0.000 2.038 137 E HA -0.264 4.086 4.350 -0.000 0.000 0.195 137 E C 2.243 178.862 176.600 0.033 0.000 1.000 137 E CA 1.738 58.175 56.400 0.063 0.000 0.803 137 E CB -0.241 29.484 29.700 0.042 0.000 0.750 137 E HN 0.725 nan 8.360 nan 0.000 0.448 138 E N 0.427 120.632 120.200 0.008 0.000 2.118 138 E HA -0.160 4.190 4.350 -0.000 0.000 0.195 138 E C 2.272 178.831 176.600 -0.070 0.000 0.992 138 E CA 0.727 57.102 56.400 -0.041 0.000 0.804 138 E CB -0.166 29.506 29.700 -0.046 0.000 0.741 138 E HN 0.285 nan 8.360 nan 0.000 0.458 139 I N 1.083 121.656 120.570 0.006 0.000 2.179 139 I HA -0.266 3.904 4.170 -0.000 0.000 0.242 139 I C 2.704 178.861 176.117 0.066 0.000 1.088 139 I CA 1.221 62.550 61.300 0.048 0.000 1.357 139 I CB -0.253 37.881 38.000 0.224 0.000 1.051 139 I HN 0.152 nan 8.210 nan 0.000 0.409 140 E N 1.070 121.350 120.200 0.133 0.000 2.072 140 E HA -0.252 4.098 4.350 -0.000 0.000 0.191 140 E C 1.515 178.127 176.600 0.020 0.000 0.985 140 E CA 1.409 57.914 56.400 0.175 0.000 0.801 140 E CB 0.081 29.897 29.700 0.192 0.000 0.750 140 E HN 0.383 nan 8.360 nan 0.000 0.452 141 D N 0.221 120.591 120.400 -0.049 0.000 2.309 141 D HA -0.107 4.533 4.640 -0.000 0.000 0.212 141 D C 1.604 177.766 176.300 -0.231 0.000 0.968 141 D CA 0.933 54.870 54.000 -0.104 0.000 0.882 141 D CB -0.140 40.603 40.800 -0.096 0.000 0.918 141 D HN 0.283 nan 8.370 nan 0.000 0.503 142 A N -0.150 122.402 122.820 -0.446 0.000 2.067 142 A HA -0.099 4.221 4.320 -0.000 0.000 0.219 142 A C 1.206 178.291 177.584 -0.832 0.000 1.158 142 A CA 0.647 52.251 52.037 -0.721 0.000 0.661 142 A CB -0.568 17.789 19.000 -1.072 0.000 0.801 142 A HN 0.218 nan 8.150 nan 0.000 0.452 143 F N -0.525 119.276 119.950 -0.248 0.000 2.772 143 F HA 0.200 4.727 4.527 -0.000 0.000 0.302 143 F C 1.671 177.393 175.800 -0.130 0.000 1.136 143 F CA -0.311 57.481 58.000 -0.346 0.000 1.322 143 F CB 0.070 38.355 39.000 -1.192 0.000 0.967 143 F HN 0.171 nan 8.300 nan 0.000 0.513 144 Q N 0.573 120.396 119.800 0.039 0.000 2.291 144 Q HA -0.061 4.278 4.340 -0.000 0.000 0.206 144 Q C 1.975 178.062 176.000 0.145 0.000 0.976 144 Q CA 1.222 57.085 55.803 0.100 0.000 0.875 144 Q CB -0.088 28.684 28.738 0.057 0.000 0.927 144 Q HN 0.564 nan 8.270 nan 0.000 0.450 145 G N -0.024 108.867 108.800 0.152 0.000 3.690 145 G HA2 0.152 4.112 3.960 -0.000 0.000 0.283 145 G HA3 0.152 4.112 3.960 -0.000 0.000 0.283 145 G C -0.564 174.482 174.900 0.244 0.000 1.057 145 G CA -0.378 44.828 45.100 0.177 0.000 0.821 145 G HN 0.099 nan 8.290 nan 0.000 0.526 146 N N 0.037 118.945 118.700 0.347 0.000 2.314 146 N HA 0.657 5.397 4.740 -0.000 0.000 0.294 146 N C -0.969 174.877 175.510 0.560 0.000 1.029 146 N CA -0.436 52.885 53.050 0.451 0.000 0.845 146 N CB 2.566 41.389 38.487 0.558 0.000 1.321 146 N HN -0.050 nan 8.380 nan 0.000 0.481 147 L N 0.887 122.373 121.223 0.438 0.000 2.346 147 L HA 0.703 5.043 4.340 -0.000 0.000 0.274 147 L C -0.797 176.256 176.870 0.306 0.000 1.007 147 L CA -0.975 54.105 54.840 0.401 0.000 0.818 147 L CB 1.809 44.028 42.059 0.266 0.000 1.284 147 L HN 0.535 nan 8.230 nan 0.000 0.424 148 C N 2.495 121.870 119.300 0.126 0.000 2.535 148 C HA 0.488 4.948 4.460 -0.000 0.000 0.319 148 C C 1.019 175.862 174.990 -0.245 0.000 1.171 148 C CA -0.509 58.411 59.018 -0.164 0.000 1.394 148 C CB 1.756 29.187 27.740 -0.515 0.000 1.990 148 C HN 0.894 nan 8.230 nan 0.000 0.466 149 R N 2.177 122.654 120.500 -0.039 0.000 2.237 149 R HA 0.155 4.495 4.340 -0.000 0.000 0.195 149 R C 1.448 177.724 176.300 -0.040 0.000 0.956 149 R CA 0.849 56.917 56.100 -0.053 0.000 1.029 149 R CB -0.478 29.849 30.300 0.046 0.000 0.972 149 R HN 0.915 nan 8.270 nan 0.000 0.493 150 C N -0.659 118.681 119.300 0.066 0.000 2.568 150 C HA 0.030 4.490 4.460 -0.000 0.000 0.284 150 C C 2.660 177.658 174.990 0.012 0.000 1.338 150 C CA 1.132 60.238 59.018 0.148 0.000 1.724 150 C CB -0.729 27.117 27.740 0.177 0.000 2.131 150 C HN 0.547 nan 8.230 nan 0.000 0.513 151 T N -1.406 113.081 114.554 -0.113 0.000 2.904 151 T HA 0.200 4.550 4.350 -0.000 0.000 0.267 151 T C 1.637 176.275 174.700 -0.103 0.000 1.059 151 T CA 1.890 63.917 62.100 -0.122 0.000 1.137 151 T CB -0.557 68.207 68.868 -0.173 0.000 0.879 151 T HN 1.171 nan 8.240 nan 0.000 0.467 152 G N 0.217 108.889 108.800 -0.213 0.000 2.141 152 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.242 152 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.242 152 G C 0.590 175.575 174.900 0.142 0.000 0.982 152 G CA 0.364 45.490 45.100 0.044 0.000 0.662 152 G HN 0.650 nan 8.290 nan 0.000 0.527 153 Y N -2.418 117.818 120.300 -0.106 0.000 3.301 153 Y HA -0.412 4.138 4.550 -0.000 0.000 0.464 153 Y C 2.412 178.307 175.900 -0.010 0.000 1.089 153 Y CA 2.611 60.572 58.100 -0.232 0.000 2.696 153 Y CB -1.413 36.793 38.460 -0.423 0.000 0.827 153 Y HN 0.482 nan 8.280 nan 0.000 0.532 154 R N 1.179 121.841 120.500 0.270 0.000 2.136 154 R HA -0.203 4.137 4.340 -0.000 0.000 0.242 154 R C -0.832 175.568 176.300 0.167 0.000 1.131 154 R CA 2.851 59.107 56.100 0.259 0.000 0.937 154 R CB -1.728 28.717 30.300 0.242 0.000 0.863 154 R HN 0.413 nan 8.270 nan 0.000 0.435 155 P HA -0.132 nan 4.420 nan 0.000 0.218 155 P C 1.738 179.010 177.300 -0.046 0.000 1.148 155 P CA 1.388 64.528 63.100 0.066 0.000 0.822 155 P CB -0.216 31.516 31.700 0.054 0.000 0.784 156 I N -0.711 119.814 120.570 -0.075 0.000 2.202 156 I HA -0.205 3.965 4.170 -0.000 0.000 0.242 156 I C 2.730 178.737 176.117 -0.184 0.000 1.091 156 I CA 1.192 62.338 61.300 -0.256 0.000 1.368 156 I CB -0.676 37.266 38.000 -0.097 0.000 1.058 156 I HN -0.144 nan 8.210 nan 0.000 0.410 157 L N 0.139 121.453 121.223 0.151 0.000 2.017 157 L HA -0.247 4.093 4.340 -0.000 0.000 0.208 157 L C 2.718 179.743 176.870 0.257 0.000 1.073 157 L CA 1.475 56.492 54.840 0.294 0.000 0.745 157 L CB -0.578 41.705 42.059 0.372 0.000 0.894 157 L HN 0.333 nan 8.230 nan 0.000 0.432 158 Q N -0.028 119.901 119.800 0.215 0.000 2.124 158 Q HA -0.159 4.181 4.340 -0.000 0.000 0.202 158 Q C 2.132 178.298 176.000 0.277 0.000 0.977 158 Q CA 1.732 57.694 55.803 0.266 0.000 0.850 158 Q CB -0.192 28.727 28.738 0.302 0.000 0.901 158 Q HN 0.487 nan 8.270 nan 0.000 0.429 159 G N -0.282 108.556 108.800 0.063 0.000 2.404 159 G HA2 -0.212 3.747 3.960 -0.000 0.000 0.215 159 G HA3 -0.212 3.747 3.960 -0.000 0.000 0.215 159 G C 0.910 175.883 174.900 0.123 0.000 1.174 159 G CA 0.461 45.495 45.100 -0.110 0.000 0.780 159 G HN 0.343 nan 8.290 nan 0.000 0.537 160 F N 0.747 120.787 119.950 0.151 0.000 2.407 160 F HA 0.179 4.706 4.527 -0.000 0.000 0.299 160 F C 2.509 178.490 175.800 0.303 0.000 1.097 160 F CA 0.154 58.332 58.000 0.297 0.000 1.422 160 F CB -0.481 38.772 39.000 0.421 0.000 1.067 160 F HN 0.084 nan 8.300 nan 0.000 0.539 161 R N 0.513 121.268 120.500 0.425 0.000 2.200 161 R HA -0.150 4.190 4.340 -0.000 0.000 0.234 161 R C 2.011 178.469 176.300 0.263 0.000 1.127 161 R CA 1.684 57.980 56.100 0.327 0.000 0.989 161 R CB -0.352 30.113 30.300 0.275 0.000 0.869 161 R HN 0.375 nan 8.270 nan 0.000 0.459 162 T N -2.664 112.023 114.554 0.221 0.000 3.051 162 T HA -0.087 4.263 4.350 -0.000 0.000 0.269 162 T C 1.420 176.169 174.700 0.083 0.000 1.127 162 T CA 0.809 62.991 62.100 0.138 0.000 1.107 162 T CB -0.296 68.674 68.868 0.170 0.000 0.898 162 T HN 0.229 nan 8.240 nan 0.000 0.517 163 F N 1.708 121.789 119.950 0.219 0.000 2.615 163 F HA 0.475 5.002 4.527 -0.000 0.000 0.297 163 F C 2.001 177.866 175.800 0.108 0.000 1.124 163 F CA -0.365 57.723 58.000 0.146 0.000 1.451 163 F CB -0.144 38.921 39.000 0.110 0.000 1.103 163 F HN 0.277 nan 8.300 nan 0.000 0.569 194 S N 0.125 115.804 115.700 -0.034 0.000 2.593 194 S HA 0.413 4.883 4.470 -0.000 0.000 0.297 194 S C 1.406 176.195 174.600 0.316 0.000 1.112 194 S CA -0.817 57.433 58.200 0.084 0.000 1.043 194 S CB 1.339 64.483 63.200 -0.094 0.000 1.054 194 S HN 0.438 nan 8.310 nan 0.000 0.516 195 L N 1.013 122.393 121.223 0.262 0.000 2.156 195 L HA 0.115 4.455 4.340 -0.000 0.000 0.208 195 L C 0.122 177.247 176.870 0.425 0.000 1.095 195 L CA 1.155 56.157 54.840 0.271 0.000 0.770 195 L CB -0.153 42.060 42.059 0.257 0.000 0.914 195 L HN 0.705 nan 8.230 nan 0.000 0.439 196 F N -2.914 117.142 119.950 0.177 0.000 2.686 196 F HA 0.495 5.022 4.527 -0.000 0.000 0.311 196 F C -0.911 174.873 175.800 -0.027 0.000 1.128 196 F CA -1.671 56.384 58.000 0.093 0.000 0.946 196 F CB 1.027 40.080 39.000 0.087 0.000 1.336 196 F HN -0.322 nan 8.300 nan 0.000 0.457 197 N N 2.083 120.835 118.700 0.087 0.000 2.569 197 N HA 0.512 5.252 4.740 -0.000 0.000 0.254 197 N C -2.417 172.849 175.510 -0.407 0.000 1.004 197 N CA -2.638 50.324 53.050 -0.147 0.000 0.904 197 N CB 1.841 40.280 38.487 -0.081 0.000 1.165 197 N HN 0.270 nan 8.380 nan 0.000 0.513 198 P HA -0.127 nan 4.420 nan 0.000 0.218 198 P C 0.383 177.343 177.300 -0.568 0.000 1.146 198 P CA 1.233 63.797 63.100 -0.894 0.000 0.813 198 P CB 0.338 31.864 31.700 -0.291 0.000 0.778 199 E N -0.340 119.684 120.200 -0.292 0.000 2.338 199 E HA -0.172 4.178 4.350 -0.000 0.000 0.197 199 E C 1.542 178.096 176.600 -0.076 0.000 1.007 199 E CA 0.740 57.060 56.400 -0.132 0.000 0.849 199 E CB -0.281 29.368 29.700 -0.085 0.000 0.774 199 E HN 0.514 nan 8.360 nan 0.000 0.506 200 E N 0.086 120.221 120.200 -0.109 0.000 2.371 200 E HA 0.008 4.358 4.350 -0.000 0.000 0.194 200 E C 0.056 176.785 176.600 0.216 0.000 1.012 200 E CA -0.131 56.297 56.400 0.045 0.000 0.860 200 E CB 0.073 29.818 29.700 0.075 0.000 0.811 200 E HN 0.216 nan 8.360 nan 0.000 0.502 201 F N 1.875 121.841 119.950 0.027 0.000 2.578 201 F HA 0.025 4.552 4.527 -0.000 0.000 0.376 201 F C 0.922 176.726 175.800 0.007 0.000 1.085 201 F CA -0.719 57.283 58.000 0.003 0.000 1.260 201 F CB 0.295 39.274 39.000 -0.035 0.000 1.095 201 F HN 0.011 nan 8.300 nan 0.000 0.573 202 M N 6.599 126.308 119.600 0.182 0.000 2.238 202 M HA 0.200 4.680 4.480 -0.000 0.000 0.350 202 M C -2.344 174.018 176.300 0.104 0.000 1.321 202 M CA -1.362 54.001 55.300 0.104 0.000 1.097 202 M CB 0.572 33.204 32.600 0.053 0.000 1.713 202 M HN 0.182 nan 8.290 nan 0.000 0.455 203 P HA 0.070 nan 4.420 nan 0.000 0.270 203 P C -1.198 176.161 177.300 0.098 0.000 1.223 203 P CA -0.469 62.696 63.100 0.107 0.000 0.785 203 P CB 0.444 32.194 31.700 0.083 0.000 0.923 204 L N 2.553 123.865 121.223 0.149 0.000 2.331 204 L HA 0.365 4.705 4.340 -0.000 0.000 0.278 204 L C -0.260 176.641 176.870 0.052 0.000 1.106 204 L CA 0.404 55.308 54.840 0.106 0.000 0.824 204 L CB 0.129 42.293 42.059 0.176 0.000 1.142 204 L HN 0.205 nan 8.230 nan 0.000 0.443 205 D N 5.895 126.304 120.400 0.015 0.000 2.389 205 D HA 0.392 5.032 4.640 -0.000 0.000 0.256 205 D C -2.078 174.231 176.300 0.015 0.000 1.239 205 D CA -1.848 52.163 54.000 0.018 0.000 0.925 205 D CB 1.836 42.647 40.800 0.018 0.000 1.145 205 D HN 0.282 nan 8.370 nan 0.000 0.542 206 P HA -0.141 nan 4.420 nan 0.000 0.217 206 P C 1.365 178.674 177.300 0.015 0.000 1.148 206 P CA 1.451 64.552 63.100 0.002 0.000 0.828 206 P CB 0.150 31.840 31.700 -0.015 0.000 0.783 207 T N -3.588 110.976 114.554 0.018 0.000 2.929 207 T HA -0.169 4.181 4.350 -0.000 0.000 0.271 207 T C 1.555 176.272 174.700 0.029 0.000 1.085 207 T CA 1.066 63.179 62.100 0.022 0.000 1.125 207 T CB -0.774 68.105 68.868 0.019 0.000 0.874 207 T HN 0.247 nan 8.240 nan 0.000 0.494 208 Q N 0.430 120.250 119.800 0.034 0.000 2.280 208 Q HA 0.183 4.523 4.340 -0.000 0.000 0.201 208 Q C -0.022 176.017 176.000 0.066 0.000 0.890 208 Q CA -0.137 55.691 55.803 0.042 0.000 0.947 208 Q CB 0.385 29.143 28.738 0.033 0.000 1.081 208 Q HN 0.552 nan 8.270 nan 0.000 0.502 209 E N 1.848 122.093 120.200 0.075 0.000 2.366 209 E HA 0.165 4.515 4.350 -0.000 0.000 0.266 209 E C -2.181 174.472 176.600 0.088 0.000 1.051 209 E CA -1.895 54.571 56.400 0.109 0.000 0.884 209 E CB 0.125 29.875 29.700 0.085 0.000 1.006 209 E HN 0.027 nan 8.360 nan 0.000 0.417 210 P HA 0.030 nan 4.420 nan 0.000 0.266 210 P C -0.034 177.315 177.300 0.082 0.000 1.195 210 P CA 0.137 63.281 63.100 0.073 0.000 0.768 210 P CB 0.252 31.991 31.700 0.064 0.000 0.838 211 I N -0.750 119.862 120.570 0.069 0.000 2.886 211 I HA 0.393 4.563 4.170 -0.000 0.000 0.299 211 I C 0.062 176.251 176.117 0.119 0.000 1.044 211 I CA -0.898 60.461 61.300 0.098 0.000 1.310 211 I CB 0.397 38.439 38.000 0.070 0.000 1.441 211 I HN 0.075 nan 8.210 nan 0.000 0.578 212 F N 4.651 124.609 119.950 0.013 0.000 2.543 212 F HA 0.356 4.883 4.527 -0.000 0.000 0.375 212 F C -2.002 173.734 175.800 -0.105 0.000 1.075 212 F CA -2.095 55.894 58.000 -0.019 0.000 1.225 212 F CB -0.034 38.963 39.000 -0.005 0.000 1.099 212 F HN 0.321 nan 8.300 nan 0.000 0.561 213 P HA -0.036 nan 4.420 nan 0.000 0.255 213 P C -2.135 174.851 177.300 -0.524 0.000 1.173 213 P CA -0.444 62.258 63.100 -0.664 0.000 0.780 213 P CB 0.292 31.273 31.700 -1.198 0.000 0.758 214 P HA -0.233 nan 4.420 nan 0.000 0.216 214 P C 1.428 178.622 177.300 -0.177 0.000 1.154 214 P CA 1.348 64.367 63.100 -0.135 0.000 0.865 214 P CB 0.040 31.695 31.700 -0.075 0.000 0.789 215 E N -0.528 119.541 120.200 -0.218 0.000 2.118 215 E HA -0.185 4.165 4.350 -0.000 0.000 0.195 215 E C 1.913 178.355 176.600 -0.265 0.000 0.992 215 E CA 0.893 57.196 56.400 -0.162 0.000 0.804 215 E CB -0.547 29.159 29.700 0.011 0.000 0.741 215 E HN 0.156 nan 8.360 nan 0.000 0.458 216 L N 0.273 121.183 121.223 -0.522 0.000 2.093 216 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 216 L C 2.508 179.284 176.870 -0.156 0.000 1.085 216 L CA 0.360 54.925 54.840 -0.457 0.000 0.755 216 L CB -0.236 41.362 42.059 -0.767 0.000 0.904 216 L HN 0.285 nan 8.230 nan 0.000 0.435 217 L N -0.098 121.087 121.223 -0.063 0.000 2.201 217 L HA -0.160 4.180 4.340 -0.000 0.000 0.212 217 L C 2.590 179.375 176.870 -0.141 0.000 1.105 217 L CA 1.591 56.420 54.840 -0.019 0.000 0.775 217 L CB -0.443 41.640 42.059 0.040 0.000 0.913 217 L HN 0.107 nan 8.230 nan 0.000 0.440 218 R N -1.221 119.202 120.500 -0.128 0.000 2.062 218 R HA -0.003 4.337 4.340 -0.000 0.000 0.226 218 R C 2.170 178.399 176.300 -0.118 0.000 1.125 218 R CA 1.171 57.204 56.100 -0.112 0.000 0.966 218 R CB -0.478 29.773 30.300 -0.083 0.000 0.861 218 R HN 0.292 nan 8.270 nan 0.000 0.433 219 L N 2.067 123.204 121.223 -0.145 0.000 2.263 219 L HA -0.216 4.124 4.340 -0.000 0.000 0.216 219 L C 2.427 179.244 176.870 -0.088 0.000 1.111 219 L CA 1.411 56.167 54.840 -0.140 0.000 0.773 219 L CB -0.615 41.225 42.059 -0.364 0.000 0.906 219 L HN 0.289 nan 8.230 nan 0.000 0.439 220 K N -0.618 119.698 120.400 -0.141 0.000 2.281 220 K HA -0.184 4.136 4.320 -0.000 0.000 0.203 220 K C 0.838 177.369 176.600 -0.114 0.000 1.046 220 K CA 1.611 57.801 56.287 -0.163 0.000 0.938 220 K CB -0.194 31.991 32.500 -0.525 0.000 0.737 220 K HN 0.296 nan 8.250 nan 0.000 0.458 221 D N 1.263 121.601 120.400 -0.103 0.000 2.340 221 D HA 0.048 4.688 4.640 -0.000 0.000 0.220 221 D C -0.242 176.045 176.300 -0.022 0.000 1.039 221 D CA 0.201 54.163 54.000 -0.063 0.000 0.866 221 D CB 0.524 41.283 40.800 -0.067 0.000 0.913 221 D HN 0.011 nan 8.370 nan 0.000 0.523 222 V N 2.208 122.120 119.914 -0.003 0.000 2.427 222 V HA 0.235 4.355 4.120 -0.000 0.000 0.286 222 V C -2.097 174.016 176.094 0.030 0.000 1.034 222 V CA -1.728 60.589 62.300 0.028 0.000 0.893 222 V CB 1.607 33.470 31.823 0.066 0.000 0.982 222 V HN -0.142 nan 8.190 nan 0.000 0.452 223 P HA 0.241 nan 4.420 nan 0.000 0.267 223 P C -2.505 174.811 177.300 0.026 0.000 1.205 223 P CA -0.748 62.366 63.100 0.023 0.000 0.765 223 P CB -0.170 31.546 31.700 0.027 0.000 0.828 224 P HA 0.141 nan 4.420 nan 0.000 0.266 224 P C -0.376 176.972 177.300 0.080 0.000 1.195 224 P CA 0.219 63.304 63.100 -0.025 0.000 0.768 224 P CB 0.557 32.207 31.700 -0.084 0.000 0.838 225 K N 1.994 122.482 120.400 0.146 0.000 2.426 225 K HA 0.223 4.543 4.320 -0.000 0.000 0.251 225 K C -0.621 176.105 176.600 0.209 0.000 0.941 225 K CA -0.836 55.540 56.287 0.148 0.000 0.808 225 K CB 1.801 34.360 32.500 0.099 0.000 1.265 225 K HN 0.411 nan 8.250 nan 0.000 0.432 226 Q N 3.510 123.379 119.800 0.115 0.000 2.330 226 Q HA 0.143 4.483 4.340 -0.000 0.000 0.279 226 Q C -1.134 174.836 176.000 -0.050 0.000 1.024 226 Q CA 0.205 56.032 55.803 0.040 0.000 0.900 226 Q CB 0.528 29.265 28.738 -0.003 0.000 1.221 226 Q HN 0.451 nan 8.270 nan 0.000 0.396 227 L N 3.742 124.854 121.223 -0.186 0.000 2.354 227 L HA 0.635 4.975 4.340 -0.000 0.000 0.269 227 L C -0.351 176.195 176.870 -0.540 0.000 1.005 227 L CA -0.874 53.729 54.840 -0.394 0.000 0.819 227 L CB 2.098 43.811 42.059 -0.577 0.000 1.311 227 L HN 0.639 nan 8.230 nan 0.000 0.423 228 R N 2.053 122.214 120.500 -0.565 0.000 2.513 228 R HA 0.610 4.950 4.340 -0.000 0.000 0.301 228 R C -1.898 174.150 176.300 -0.420 0.000 0.968 228 R CA -0.379 55.479 56.100 -0.403 0.000 0.872 228 R CB 1.305 31.508 30.300 -0.162 0.000 1.177 228 R HN 0.454 nan 8.270 nan 0.000 0.444 229 F N 2.242 122.231 119.950 0.065 0.000 2.520 229 F HA 0.393 4.920 4.527 -0.000 0.000 0.322 229 F C -0.029 175.800 175.800 0.048 0.000 1.103 229 F CA -0.937 57.074 58.000 0.019 0.000 0.926 229 F CB 2.397 41.355 39.000 -0.070 0.000 1.154 229 F HN 0.327 nan 8.300 nan 0.000 0.453 230 E N 1.510 121.842 120.200 0.220 0.000 2.191 230 E HA 0.508 4.857 4.350 -0.000 0.000 0.263 230 E C -0.152 176.512 176.600 0.105 0.000 0.881 230 E CA -0.685 55.797 56.400 0.136 0.000 0.757 230 E CB 2.279 32.035 29.700 0.094 0.000 1.147 230 E HN 0.775 nan 8.360 nan 0.000 0.414 231 G N 1.142 109.999 108.800 0.095 0.000 2.795 231 G HA2 0.060 4.019 3.960 -0.000 0.000 0.267 231 G HA3 0.060 4.019 3.960 -0.000 0.000 0.267 231 G C 0.473 175.412 174.900 0.064 0.000 1.362 231 G CA -0.374 44.767 45.100 0.069 0.000 1.048 231 G HN 0.611 nan 8.290 nan 0.000 0.547 232 E N -0.844 119.393 120.200 0.061 0.000 2.150 232 E HA -0.049 4.301 4.350 -0.000 0.000 0.193 232 E C 1.873 178.509 176.600 0.060 0.000 0.985 232 E CA 0.819 57.260 56.400 0.068 0.000 0.814 232 E CB 0.059 29.814 29.700 0.092 0.000 0.752 232 E HN 0.466 nan 8.360 nan 0.000 0.466 233 R N -0.926 119.609 120.500 0.058 0.000 2.556 233 R HA 0.246 4.586 4.340 -0.000 0.000 0.276 233 R C -0.482 175.852 176.300 0.057 0.000 0.931 233 R CA -0.112 56.018 56.100 0.049 0.000 1.061 233 R CB 1.940 32.264 30.300 0.039 0.000 1.432 233 R HN -0.101 nan 8.270 nan 0.000 0.547 234 V N 1.059 121.019 119.914 0.078 0.000 2.823 234 V HA 0.398 4.518 4.120 -0.000 0.000 0.312 234 V C -0.297 175.872 176.094 0.125 0.000 1.072 234 V CA -0.686 61.677 62.300 0.105 0.000 0.937 234 V CB 2.315 34.226 31.823 0.147 0.000 1.013 234 V HN -0.010 nan 8.190 nan 0.000 0.430 235 T N 3.919 118.540 114.554 0.111 0.000 2.779 235 T HA 0.390 4.740 4.350 -0.000 0.000 0.280 235 T C -1.135 173.666 174.700 0.168 0.000 0.987 235 T CA -0.224 61.943 62.100 0.112 0.000 0.966 235 T CB 0.975 69.854 68.868 0.019 0.000 0.933 235 T HN 0.670 nan 8.240 nan 0.000 0.442 236 W N 5.828 127.133 121.300 0.007 0.000 2.532 236 W HA 0.526 5.186 4.660 -0.000 0.000 0.321 236 W C -2.011 174.433 176.519 -0.125 0.000 1.037 236 W CA -1.338 56.003 57.345 -0.006 0.000 1.220 236 W CB 0.772 30.306 29.460 0.123 0.000 1.361 236 W HN 0.355 nan 8.180 nan 0.000 0.468 237 I N 5.417 125.875 120.570 -0.188 0.000 2.382 237 I HA 0.078 4.248 4.170 -0.000 0.000 0.286 237 I C -0.114 175.817 176.117 -0.309 0.000 1.002 237 I CA -0.794 60.385 61.300 -0.202 0.000 1.135 237 I CB 1.419 39.304 38.000 -0.192 0.000 1.288 237 I HN 0.414 nan 8.210 nan 0.000 0.448 238 Q N 5.098 124.758 119.800 -0.234 0.000 2.406 238 Q HA 0.561 4.901 4.340 -0.000 0.000 0.242 238 Q C -0.271 175.546 176.000 -0.305 0.000 1.036 238 Q CA -0.277 55.316 55.803 -0.351 0.000 0.904 238 Q CB 1.078 29.492 28.738 -0.540 0.000 1.244 238 Q HN 0.732 nan 8.270 nan 0.000 0.478 239 A N 2.918 125.597 122.820 -0.235 0.000 2.409 239 A HA 0.350 4.670 4.320 -0.000 0.000 0.267 239 A C 0.901 178.511 177.584 0.043 0.000 1.127 239 A CA 0.232 52.214 52.037 -0.091 0.000 0.795 239 A CB 0.370 19.318 19.000 -0.088 0.000 1.061 239 A HN 0.953 nan 8.150 nan 0.000 0.502 240 S N 1.398 117.186 115.700 0.147 0.000 2.470 240 S HA 0.107 4.577 4.470 -0.000 0.000 0.222 240 S C 0.872 175.578 174.600 0.176 0.000 1.024 240 S CA 0.860 59.236 58.200 0.294 0.000 0.931 240 S CB -0.372 63.003 63.200 0.292 0.000 0.791 240 S HN 1.339 nan 8.310 nan 0.000 0.513 241 T N -1.209 113.403 114.554 0.097 0.000 2.916 241 T HA 0.619 4.969 4.350 -0.000 0.000 0.292 241 T C 0.568 175.287 174.700 0.033 0.000 1.055 241 T CA -0.747 61.391 62.100 0.062 0.000 1.009 241 T CB 1.485 70.379 68.868 0.044 0.000 1.118 241 T HN 0.007 nan 8.240 nan 0.000 0.497 242 L N 1.113 122.350 121.223 0.022 0.000 2.079 242 L HA 0.096 4.436 4.340 -0.000 0.000 0.210 242 L C 2.413 179.281 176.870 -0.004 0.000 1.081 242 L CA 1.830 56.672 54.840 0.004 0.000 0.752 242 L CB -0.883 41.175 42.059 -0.002 0.000 0.896 242 L HN 0.782 nan 8.230 nan 0.000 0.433 243 K N 0.289 120.689 120.400 0.001 0.000 2.057 243 K HA -0.191 4.129 4.320 -0.000 0.000 0.207 243 K C 1.931 178.527 176.600 -0.006 0.000 1.049 243 K CA 1.986 58.271 56.287 -0.004 0.000 0.931 243 K CB -0.119 32.381 32.500 0.000 0.000 0.714 243 K HN 0.587 nan 8.250 nan 0.000 0.440 244 E N 0.594 120.794 120.200 -0.000 0.000 2.072 244 E HA -0.193 4.157 4.350 -0.000 0.000 0.191 244 E C 1.995 178.584 176.600 -0.018 0.000 0.985 244 E CA 0.908 57.305 56.400 -0.005 0.000 0.801 244 E CB -0.186 29.515 29.700 0.002 0.000 0.750 244 E HN 0.107 nan 8.360 nan 0.000 0.452 245 L N 1.235 122.445 121.223 -0.023 0.000 2.012 245 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 245 L C 2.040 178.889 176.870 -0.035 0.000 1.073 245 L CA 1.663 56.480 54.840 -0.039 0.000 0.748 245 L CB -0.390 41.645 42.059 -0.041 0.000 0.891 245 L HN 0.108 nan 8.230 nan 0.000 0.431 246 L N -0.755 120.451 121.223 -0.028 0.000 2.093 246 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 246 L C 2.260 179.113 176.870 -0.029 0.000 1.085 246 L CA 1.148 55.971 54.840 -0.029 0.000 0.755 246 L CB -0.923 41.121 42.059 -0.026 0.000 0.904 246 L HN 0.312 nan 8.230 nan 0.000 0.435 247 D N 0.377 120.762 120.400 -0.025 0.000 2.097 247 D HA -0.123 4.517 4.640 -0.000 0.000 0.197 247 D C 2.435 178.719 176.300 -0.028 0.000 0.984 247 D CA 1.115 55.099 54.000 -0.027 0.000 0.826 247 D CB -0.118 40.670 40.800 -0.020 0.000 0.973 247 D HN 0.250 nan 8.370 nan 0.000 0.460 248 L N 0.684 121.900 121.223 -0.012 0.000 2.042 248 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 248 L C 2.394 179.276 176.870 0.020 0.000 1.076 248 L CA 1.048 55.902 54.840 0.023 0.000 0.749 248 L CB -0.256 41.805 42.059 0.004 0.000 0.893 248 L HN -0.096 nan 8.230 nan 0.000 0.432 249 K N -0.094 120.297 120.400 -0.015 0.000 2.217 249 K HA -0.005 4.315 4.320 -0.000 0.000 0.202 249 K C 2.108 178.686 176.600 -0.035 0.000 1.051 249 K CA 1.195 57.469 56.287 -0.021 0.000 0.952 249 K CB -0.167 32.311 32.500 -0.036 0.000 0.736 249 K HN 0.280 nan 8.250 nan 0.000 0.453 250 A N 1.073 123.864 122.820 -0.049 0.000 1.968 250 A HA -0.136 4.183 4.320 -0.000 0.000 0.217 250 A C 2.020 179.541 177.584 -0.104 0.000 1.169 250 A CA 1.051 53.050 52.037 -0.063 0.000 0.638 250 A CB -0.179 18.788 19.000 -0.055 0.000 0.812 250 A HN 0.332 nan 8.150 nan 0.000 0.446 251 Q N -1.233 118.474 119.800 -0.155 0.000 2.212 251 Q HA 0.007 4.347 4.340 -0.000 0.000 0.199 251 Q C -0.111 175.564 176.000 -0.541 0.000 0.950 251 Q CA 0.733 56.332 55.803 -0.340 0.000 0.863 251 Q CB 0.189 28.683 28.738 -0.406 0.000 0.944 251 Q HN 0.718 nan 8.270 nan 0.000 0.465 252 H N -0.854 118.195 119.070 -0.034 0.000 2.380 252 H HA 0.202 4.758 4.556 -0.000 0.000 0.231 252 H C -2.065 173.237 175.328 -0.042 0.000 1.415 252 H CA -1.892 54.136 56.048 -0.034 0.000 1.433 252 H CB 1.126 30.864 29.762 -0.039 0.000 1.544 252 H HN 0.073 nan 8.280 nan 0.000 0.503 253 P HA -0.197 nan 4.420 nan 0.000 0.218 253 P C 1.762 179.064 177.300 0.003 0.000 1.146 253 P CA 1.201 64.301 63.100 0.000 0.000 0.813 253 P CB 0.475 32.166 31.700 -0.013 0.000 0.778 254 E N 0.175 120.394 120.200 0.031 0.000 2.285 254 E HA -0.027 4.323 4.350 -0.000 0.000 0.194 254 E C 0.752 177.348 176.600 -0.006 0.000 0.997 254 E CA 0.297 56.710 56.400 0.022 0.000 0.845 254 E CB -1.141 28.591 29.700 0.053 0.000 0.782 254 E HN 0.027 nan 8.360 nan 0.000 0.491 255 A N 1.799 124.619 122.820 0.001 0.000 2.591 255 A HA -0.004 4.316 4.320 -0.000 0.000 0.244 255 A C 0.112 177.617 177.584 -0.131 0.000 1.031 255 A CA 0.225 52.225 52.037 -0.061 0.000 0.767 255 A CB -0.167 18.800 19.000 -0.055 0.000 0.942 255 A HN 0.109 nan 8.150 nan 0.000 0.514 256 K N 2.072 122.355 120.400 -0.194 0.000 2.258 256 K HA 0.489 4.809 4.320 -0.000 0.000 0.284 256 K C -0.615 175.808 176.600 -0.296 0.000 1.051 256 K CA -0.230 55.866 56.287 -0.318 0.000 0.923 256 K CB 0.452 32.619 32.500 -0.554 0.000 1.046 256 K HN 0.523 nan 8.250 nan 0.000 0.474 257 L N 3.705 124.772 121.223 -0.261 0.000 2.395 257 L HA 0.414 4.754 4.340 -0.000 0.000 0.269 257 L C -0.616 176.102 176.870 -0.254 0.000 1.133 257 L CA -0.101 54.587 54.840 -0.253 0.000 0.812 257 L CB 1.437 43.388 42.059 -0.179 0.000 1.125 257 L HN 0.344 nan 8.230 nan 0.000 0.452 258 V N 3.632 123.374 119.914 -0.287 0.000 2.733 258 V HA 0.458 4.578 4.120 -0.000 0.000 0.306 258 V C 0.029 176.046 176.094 -0.130 0.000 1.084 258 V CA -0.402 61.779 62.300 -0.198 0.000 0.905 258 V CB 2.010 33.694 31.823 -0.231 0.000 1.010 258 V HN 0.577 nan 8.190 nan 0.000 0.424 259 V N 2.996 122.893 119.914 -0.029 0.000 3.671 259 V HA 0.296 4.416 4.120 -0.000 0.000 0.202 259 V C 1.978 178.117 176.094 0.075 0.000 1.188 259 V CA 1.228 63.537 62.300 0.014 0.000 1.325 259 V CB -0.027 31.794 31.823 -0.004 0.000 1.470 259 V HN 0.854 nan 8.190 nan 0.000 0.520 260 G N -0.483 108.357 108.800 0.066 0.000 2.551 260 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.216 260 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.216 260 G C 0.771 175.741 174.900 0.117 0.000 1.137 260 G CA 0.887 46.042 45.100 0.092 0.000 0.798 260 G HN 0.627 nan 8.290 nan 0.000 0.536 261 N N -0.414 118.351 118.700 0.109 0.000 2.800 261 N HA -0.222 4.518 4.740 -0.000 0.000 0.250 261 N C 1.385 176.974 175.510 0.133 0.000 1.078 261 N CA 1.753 54.880 53.050 0.130 0.000 0.804 261 N CB -1.697 36.892 38.487 0.170 0.000 1.135 261 N HN 0.402 nan 8.380 nan 0.000 0.565 262 T N -3.999 110.629 114.554 0.123 0.000 3.160 262 T HA 0.099 4.449 4.350 -0.000 0.000 0.257 262 T C 1.155 175.932 174.700 0.127 0.000 1.147 262 T CA 0.904 63.083 62.100 0.132 0.000 1.064 262 T CB 0.225 69.175 68.868 0.137 0.000 0.949 262 T HN 0.223 nan 8.240 nan 0.000 0.526 263 E N 0.606 120.877 120.200 0.118 0.000 2.419 263 E HA 0.240 4.590 4.350 -0.000 0.000 0.197 263 E C 2.184 178.869 176.600 0.142 0.000 0.920 263 E CA -0.023 56.444 56.400 0.112 0.000 1.085 263 E CB 0.004 29.753 29.700 0.081 0.000 1.084 263 E HN 0.294 nan 8.360 nan 0.000 0.490 264 I N 1.752 122.400 120.570 0.130 0.000 2.264 264 I HA -0.164 4.006 4.170 -0.000 0.000 0.248 264 I C 2.402 178.659 176.117 0.233 0.000 1.111 264 I CA 1.650 63.063 61.300 0.187 0.000 1.382 264 I CB -1.647 36.423 38.000 0.117 0.000 1.060 264 I HN 0.115 nan 8.210 nan 0.000 0.418 265 G N 1.326 110.244 108.800 0.196 0.000 2.418 265 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.217 265 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.217 265 G C 1.629 176.667 174.900 0.229 0.000 1.158 265 G CA 0.331 45.547 45.100 0.193 0.000 0.771 265 G HN 0.200 nan 8.290 nan 0.000 0.545 266 I N 1.184 121.908 120.570 0.257 0.000 2.179 266 I HA -0.098 4.072 4.170 -0.000 0.000 0.242 266 I C 2.600 178.917 176.117 0.333 0.000 1.088 266 I CA 1.075 62.587 61.300 0.353 0.000 1.357 266 I CB -1.310 36.822 38.000 0.220 0.000 1.051 266 I HN 0.340 nan 8.210 nan 0.000 0.409 267 E N -0.031 120.320 120.200 0.251 0.000 2.085 267 E HA -0.217 4.133 4.350 -0.000 0.000 0.194 267 E C 2.277 178.961 176.600 0.139 0.000 0.994 267 E CA 1.157 57.690 56.400 0.222 0.000 0.801 267 E CB -0.071 29.809 29.700 0.300 0.000 0.743 267 E HN 0.326 nan 8.360 nan 0.000 0.453 268 M N 0.485 120.167 119.600 0.137 0.000 2.099 268 M HA -0.120 4.360 4.480 -0.000 0.000 0.262 268 M C 2.307 178.583 176.300 -0.039 0.000 1.067 268 M CA 1.415 56.729 55.300 0.023 0.000 1.124 268 M CB -0.617 32.027 32.600 0.073 0.000 1.353 268 M HN -0.102 nan 8.290 nan 0.000 0.410 269 K N 0.053 120.434 120.400 -0.032 0.000 2.062 269 K HA -0.050 4.270 4.320 -0.000 0.000 0.205 269 K C 1.427 177.757 176.600 -0.449 0.000 1.051 269 K CA 1.567 57.685 56.287 -0.282 0.000 0.941 269 K CB -0.078 32.175 32.500 -0.411 0.000 0.719 269 K HN 0.196 nan 8.250 nan 0.000 0.440 270 F N -0.262 119.708 119.950 0.033 0.000 2.694 270 F HA 0.260 4.787 4.527 -0.000 0.000 0.292 270 F C 1.168 176.987 175.800 0.032 0.000 1.121 270 F CA -0.100 57.923 58.000 0.040 0.000 1.352 270 F CB 0.466 39.507 39.000 0.068 0.000 1.107 270 F HN -0.211 nan 8.300 nan 0.000 0.597 271 K N 0.489 121.000 120.400 0.185 0.000 2.410 271 K HA 0.080 4.400 4.320 -0.000 0.000 0.200 271 K C 0.109 176.729 176.600 0.032 0.000 1.023 271 K CA 0.026 56.387 56.287 0.124 0.000 1.149 271 K CB -0.887 31.697 32.500 0.140 0.000 0.859 271 K HN 0.357 nan 8.250 nan 0.000 0.514 272 N N 1.711 120.381 118.700 -0.051 0.000 2.725 272 N HA -0.170 4.570 4.740 -0.000 0.000 0.249 272 N C -0.863 174.566 175.510 -0.134 0.000 1.103 272 N CA 0.190 53.156 53.050 -0.140 0.000 0.707 272 N CB -0.059 38.372 38.487 -0.094 0.000 1.043 272 N HN 0.164 nan 8.380 nan 0.000 0.553 273 Q N 0.674 120.371 119.800 -0.171 0.000 2.222 273 Q HA 0.529 4.869 4.340 -0.000 0.000 0.252 273 Q C -0.352 175.353 176.000 -0.492 0.000 0.926 273 Q CA -0.310 55.279 55.803 -0.357 0.000 0.899 273 Q CB 2.087 30.571 28.738 -0.425 0.000 1.250 273 Q HN 0.374 nan 8.270 nan 0.000 0.441 274 L N 2.369 123.213 121.223 -0.630 0.000 2.446 274 L HA 0.469 4.809 4.340 -0.000 0.000 0.268 274 L C -1.850 174.718 176.870 -0.504 0.000 0.975 274 L CA -0.186 54.381 54.840 -0.455 0.000 0.848 274 L CB 0.908 42.847 42.059 -0.200 0.000 1.225 274 L HN 0.455 nan 8.230 nan 0.000 0.410 275 F N 6.809 126.771 119.950 0.020 0.000 2.332 275 F HA 0.472 4.999 4.527 -0.000 0.000 0.368 275 F C -1.330 174.474 175.800 0.008 0.000 1.110 275 F CA -1.504 56.501 58.000 0.009 0.000 1.087 275 F CB 1.134 40.135 39.000 0.001 0.000 1.235 275 F HN 0.446 nan 8.300 nan 0.000 0.470 276 P HA -0.164 nan 4.420 nan 0.000 0.218 276 P C 0.074 177.405 177.300 0.053 0.000 1.148 276 P CA 1.338 64.481 63.100 0.072 0.000 0.822 276 P CB 0.375 32.102 31.700 0.045 0.000 0.784 277 M N -0.542 119.080 119.600 0.037 0.000 2.263 277 M HA 0.390 4.870 4.480 -0.000 0.000 0.295 277 M C -1.624 174.632 176.300 -0.074 0.000 1.028 277 M CA -0.730 54.542 55.300 -0.045 0.000 0.921 277 M CB 1.719 34.223 32.600 -0.161 0.000 1.601 277 M HN -0.318 nan 8.290 nan 0.000 0.440 278 I N 5.270 125.761 120.570 -0.132 0.000 2.569 278 I HA 0.502 4.672 4.170 -0.000 0.000 0.296 278 I C -0.983 174.832 176.117 -0.502 0.000 1.028 278 I CA -0.785 60.330 61.300 -0.309 0.000 1.082 278 I CB 2.317 40.098 38.000 -0.364 0.000 1.264 278 I HN 0.652 nan 8.210 nan 0.000 0.429 279 I N 5.292 125.557 120.570 -0.508 0.000 2.410 279 I HA 0.260 4.430 4.170 -0.000 0.000 0.286 279 I C -0.644 175.131 176.117 -0.569 0.000 1.009 279 I CA -0.474 60.531 61.300 -0.492 0.000 1.111 279 I CB 1.843 39.674 38.000 -0.282 0.000 1.262 279 I HN 0.526 nan 8.210 nan 0.000 0.443 280 C N 9.320 128.210 119.300 -0.683 0.000 2.239 280 C HA 0.491 4.951 4.460 -0.000 0.000 0.325 280 C C -1.339 173.467 174.990 -0.307 0.000 1.231 280 C CA -1.455 57.266 59.018 -0.495 0.000 1.652 280 C CB 0.442 27.930 27.740 -0.420 0.000 2.284 280 C HN 0.616 nan 8.230 nan 0.000 0.499 281 P HA 0.143 nan 4.420 nan 0.000 0.268 281 P C 1.083 178.363 177.300 -0.033 0.000 1.329 281 P CA 0.443 63.478 63.100 -0.109 0.000 0.899 281 P CB 0.199 31.846 31.700 -0.089 0.000 1.378 282 A N 0.156 122.951 122.820 -0.041 0.000 1.958 282 A HA -0.180 4.140 4.320 -0.000 0.000 0.221 282 A C 1.800 179.519 177.584 0.227 0.000 1.178 282 A CA 1.462 53.538 52.037 0.066 0.000 0.642 282 A CB -1.764 17.284 19.000 0.080 0.000 0.816 282 A HN 0.203 nan 8.150 nan 0.000 0.453 283 W N -0.119 121.210 121.300 0.048 0.000 2.519 283 W HA 0.192 4.852 4.660 -0.000 0.000 0.266 283 W C 0.606 177.140 176.519 0.025 0.000 1.253 283 W CA -0.686 56.689 57.345 0.050 0.000 1.274 283 W CB -0.939 28.563 29.460 0.069 0.000 1.114 283 W HN 0.142 nan 8.180 nan 0.000 0.596 284 I N 3.276 123.980 120.570 0.223 0.000 2.752 284 I HA -0.110 4.060 4.170 -0.000 0.000 0.286 284 I C -1.025 175.137 176.117 0.075 0.000 1.180 284 I CA -0.967 60.406 61.300 0.122 0.000 1.404 284 I CB 0.311 38.350 38.000 0.065 0.000 1.389 284 I HN -0.333 nan 8.210 nan 0.000 0.549 285 P HA -0.205 nan 4.420 nan 0.000 0.215 285 P C 1.129 178.431 177.300 0.003 0.000 1.157 285 P CA 1.392 64.505 63.100 0.022 0.000 0.874 285 P CB 0.228 31.936 31.700 0.014 0.000 0.790 286 E N -0.922 119.279 120.200 0.000 0.000 2.160 286 E HA -0.128 4.222 4.350 -0.000 0.000 0.195 286 E C 1.702 178.291 176.600 -0.019 0.000 0.991 286 E CA 0.835 57.226 56.400 -0.016 0.000 0.810 286 E CB -0.818 28.872 29.700 -0.017 0.000 0.742 286 E HN 0.123 nan 8.360 nan 0.000 0.466 287 L N 0.789 122.009 121.223 -0.005 0.000 2.552 287 L HA 0.026 4.366 4.340 -0.000 0.000 0.227 287 L C 0.800 177.668 176.870 -0.003 0.000 1.146 287 L CA 1.108 55.944 54.840 -0.007 0.000 0.858 287 L CB -0.492 41.566 42.059 -0.001 0.000 0.969 287 L HN 0.226 nan 8.230 nan 0.000 0.451 288 N N -0.555 118.144 118.700 -0.002 0.000 2.159 288 N HA 0.136 4.876 4.740 -0.000 0.000 0.217 288 N C 0.532 176.028 175.510 -0.024 0.000 1.223 288 N CA 0.018 53.065 53.050 -0.006 0.000 0.896 288 N CB 1.502 39.990 38.487 0.001 0.000 1.064 288 N HN 0.068 nan 8.380 nan 0.000 0.518 289 A N 1.064 123.861 122.820 -0.039 0.000 2.371 289 A HA 0.466 4.786 4.320 -0.000 0.000 0.257 289 A C 0.169 177.681 177.584 -0.119 0.000 1.089 289 A CA 0.045 52.041 52.037 -0.069 0.000 0.794 289 A CB 0.636 19.595 19.000 -0.069 0.000 1.029 289 A HN -0.038 nan 8.150 nan 0.000 0.488 290 V N 3.101 122.918 119.914 -0.161 0.000 2.407 290 V HA 0.371 4.490 4.120 -0.000 0.000 0.291 290 V C -0.372 175.555 176.094 -0.279 0.000 1.018 290 V CA -0.369 61.740 62.300 -0.318 0.000 0.842 290 V CB 1.134 32.786 31.823 -0.285 0.000 0.996 290 V HN 0.995 nan 8.190 nan 0.000 0.426 291 E N 3.371 123.347 120.200 -0.373 0.000 2.210 291 E HA 0.470 4.820 4.350 -0.000 0.000 0.266 291 E C -1.043 175.358 176.600 -0.331 0.000 0.883 291 E CA -0.769 55.490 56.400 -0.234 0.000 0.761 291 E CB 1.887 31.487 29.700 -0.168 0.000 1.156 291 E HN 0.673 nan 8.360 nan 0.000 0.412 292 H N 2.103 121.075 119.070 -0.164 0.000 2.690 292 H HA 0.283 4.839 4.556 -0.000 0.000 0.289 292 H C 0.121 175.427 175.328 -0.036 0.000 1.089 292 H CA -0.373 55.614 56.048 -0.101 0.000 1.299 292 H CB 1.171 30.907 29.762 -0.043 0.000 1.405 292 H HN 0.621 nan 8.280 nan 0.000 0.463 293 G N 2.895 111.706 108.800 0.017 0.000 2.521 293 G HA2 0.176 4.136 3.960 -0.000 0.000 0.323 293 G HA3 0.176 4.136 3.960 -0.000 0.000 0.323 293 G C -1.429 173.570 174.900 0.166 0.000 1.211 293 G CA -1.354 43.772 45.100 0.044 0.000 0.979 293 G HN 0.285 nan 8.290 nan 0.000 0.490 294 P HA -0.015 nan 4.420 nan 0.000 0.223 294 P C 0.743 178.195 177.300 0.252 0.000 1.151 294 P CA 0.952 64.157 63.100 0.176 0.000 0.787 294 P CB 0.534 32.279 31.700 0.074 0.000 0.788 295 E N -0.292 119.987 120.200 0.131 0.000 2.340 295 E HA 0.266 4.616 4.350 -0.000 0.000 0.194 295 E C 1.428 177.961 176.600 -0.112 0.000 0.996 295 E CA 0.564 57.009 56.400 0.074 0.000 0.869 295 E CB 0.359 30.050 29.700 -0.015 0.000 0.835 295 E HN 0.307 nan 8.360 nan 0.000 0.493 296 G N 0.185 108.758 108.800 -0.377 0.000 2.336 296 G HA2 0.336 4.296 3.960 -0.000 0.000 0.286 296 G HA3 0.336 4.296 3.960 -0.000 0.000 0.286 296 G C -1.551 173.003 174.900 -0.577 0.000 1.269 296 G CA -0.950 43.605 45.100 -0.909 0.000 0.873 296 G HN -0.013 nan 8.290 nan 0.000 0.494 297 I N 1.397 121.685 120.570 -0.470 0.000 2.378 297 I HA 0.513 4.683 4.170 -0.000 0.000 0.291 297 I C 0.323 176.107 176.117 -0.554 0.000 0.992 297 I CA -0.674 60.272 61.300 -0.590 0.000 1.154 297 I CB 1.875 39.408 38.000 -0.778 0.000 1.315 297 I HN 0.415 nan 8.210 nan 0.000 0.448 298 S N 6.158 121.497 115.700 -0.601 0.000 2.541 298 S HA 0.689 5.159 4.470 -0.000 0.000 0.283 298 S C -0.959 173.256 174.600 -0.641 0.000 1.196 298 S CA -0.297 57.638 58.200 -0.442 0.000 1.062 298 S CB 0.439 63.468 63.200 -0.286 0.000 1.009 298 S HN 0.323 nan 8.310 nan 0.000 0.502 299 F N 1.903 121.721 119.950 -0.220 0.000 2.529 299 F HA 0.531 5.058 4.527 -0.000 0.000 0.320 299 F C 1.009 176.714 175.800 -0.158 0.000 1.118 299 F CA -0.759 57.127 58.000 -0.190 0.000 0.915 299 F CB 1.657 40.540 39.000 -0.195 0.000 1.161 299 F HN 0.737 nan 8.300 nan 0.000 0.445 300 G N 0.762 109.585 108.800 0.038 0.000 2.491 300 G HA2 0.354 4.314 3.960 -0.000 0.000 0.242 300 G HA3 0.354 4.314 3.960 -0.000 0.000 0.242 300 G C 0.831 175.732 174.900 0.002 0.000 1.266 300 G CA -0.010 45.087 45.100 -0.005 0.000 0.844 300 G HN 0.984 nan 8.290 nan 0.000 0.571 301 A N 1.842 124.647 122.820 -0.025 0.000 2.131 301 A HA 0.131 4.451 4.320 -0.000 0.000 0.220 301 A C 2.467 180.033 177.584 -0.029 0.000 1.158 301 A CA 2.190 54.207 52.037 -0.034 0.000 0.665 301 A CB -0.191 18.786 19.000 -0.039 0.000 0.795 301 A HN 1.279 nan 8.150 nan 0.000 0.460 302 A N -1.578 121.229 122.820 -0.021 0.000 2.238 302 A HA 0.256 4.576 4.320 -0.000 0.000 0.210 302 A C 0.950 178.516 177.584 -0.030 0.000 1.179 302 A CA 0.109 52.135 52.037 -0.019 0.000 0.827 302 A CB -0.776 18.223 19.000 -0.002 0.000 0.856 302 A HN 0.463 nan 8.150 nan 0.000 0.488 303 C N 1.389 120.671 119.300 -0.030 0.000 2.611 303 C HA 0.415 4.875 4.460 -0.000 0.000 0.416 303 C C 1.374 176.300 174.990 -0.107 0.000 1.366 303 C CA -0.425 58.564 59.018 -0.049 0.000 1.761 303 C CB -0.887 26.860 27.740 0.012 0.000 2.619 303 C HN 0.638 nan 8.230 nan 0.000 0.606 304 A N 3.895 126.632 122.820 -0.139 0.000 2.371 304 A HA 0.407 4.727 4.320 -0.000 0.000 0.257 304 A C 1.100 178.552 177.584 -0.220 0.000 1.089 304 A CA -0.419 51.514 52.037 -0.174 0.000 0.794 304 A CB 0.154 19.025 19.000 -0.216 0.000 1.029 304 A HN 0.954 nan 8.150 nan 0.000 0.488 305 L N 1.896 122.967 121.223 -0.253 0.000 2.127 305 L HA -0.222 4.118 4.340 -0.000 0.000 0.211 305 L C 2.781 179.476 176.870 -0.292 0.000 1.089 305 L CA 1.834 56.471 54.840 -0.338 0.000 0.757 305 L CB -0.568 41.202 42.059 -0.482 0.000 0.899 305 L HN 0.966 nan 8.230 nan 0.000 0.434 306 S N -1.559 114.003 115.700 -0.229 0.000 2.402 306 S HA -0.139 4.331 4.470 -0.000 0.000 0.229 306 S C 2.075 176.571 174.600 -0.173 0.000 1.021 306 S CA 1.267 59.355 58.200 -0.185 0.000 0.974 306 S CB -0.263 62.846 63.200 -0.152 0.000 0.800 306 S HN 0.318 nan 8.310 nan 0.000 0.484 307 S N 1.421 117.014 115.700 -0.179 0.000 2.357 307 S HA 0.020 4.490 4.470 -0.000 0.000 0.221 307 S C 1.992 176.520 174.600 -0.121 0.000 1.031 307 S CA 1.121 59.246 58.200 -0.125 0.000 0.982 307 S CB -0.571 62.569 63.200 -0.100 0.000 0.853 307 S HN 0.423 nan 8.310 nan 0.000 0.458 308 V N 1.928 121.676 119.914 -0.277 0.000 2.332 308 V HA -0.215 3.905 4.120 -0.000 0.000 0.248 308 V C 2.463 178.368 176.094 -0.317 0.000 1.055 308 V CA 2.029 64.006 62.300 -0.539 0.000 1.038 308 V CB -0.615 30.715 31.823 -0.821 0.000 0.651 308 V HN 0.531 nan 8.190 nan 0.000 0.450 309 E N 0.260 120.307 120.200 -0.255 0.000 2.077 309 E HA -0.294 4.056 4.350 -0.000 0.000 0.193 309 E C 2.330 178.856 176.600 -0.123 0.000 0.989 309 E CA 1.711 57.998 56.400 -0.188 0.000 0.800 309 E CB -0.111 29.479 29.700 -0.183 0.000 0.746 309 E HN 0.580 nan 8.360 nan 0.000 0.452 310 K N -0.363 119.976 120.400 -0.102 0.000 2.026 310 K HA -0.128 4.192 4.320 -0.000 0.000 0.208 310 K C 2.075 178.656 176.600 -0.032 0.000 1.048 310 K CA 1.916 58.165 56.287 -0.063 0.000 0.929 310 K CB -0.106 32.358 32.500 -0.059 0.000 0.713 310 K HN 0.083 nan 8.250 nan 0.000 0.439 311 T N 1.911 116.466 114.554 0.001 0.000 2.746 311 T HA -0.099 4.251 4.350 -0.000 0.000 0.267 311 T C 1.777 176.471 174.700 -0.010 0.000 1.039 311 T CA 1.274 63.403 62.100 0.048 0.000 1.142 311 T CB -0.105 68.874 68.868 0.184 0.000 0.866 311 T HN 0.163 nan 8.240 nan 0.000 0.444 312 L N 0.314 121.496 121.223 -0.069 0.000 2.093 312 L HA 0.010 4.350 4.340 -0.000 0.000 0.208 312 L C 2.474 179.309 176.870 -0.058 0.000 1.085 312 L CA 0.919 55.657 54.840 -0.170 0.000 0.755 312 L CB -0.613 41.321 42.059 -0.207 0.000 0.904 312 L HN 0.261 nan 8.230 nan 0.000 0.435 313 L N -0.283 120.917 121.223 -0.038 0.000 2.017 313 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 313 L C 2.547 179.424 176.870 0.012 0.000 1.073 313 L CA 1.427 56.261 54.840 -0.010 0.000 0.745 313 L CB -0.463 41.579 42.059 -0.028 0.000 0.894 313 L HN 0.297 nan 8.230 nan 0.000 0.432 314 E N 0.082 120.285 120.200 0.005 0.000 2.110 314 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 314 E C 2.281 178.908 176.600 0.045 0.000 0.988 314 E CA 1.127 57.537 56.400 0.017 0.000 0.804 314 E CB -0.189 29.516 29.700 0.009 0.000 0.745 314 E HN 0.507 nan 8.360 nan 0.000 0.458 315 A N 0.996 123.853 122.820 0.062 0.000 1.898 315 A HA -0.122 4.198 4.320 -0.000 0.000 0.216 315 A C 2.479 180.176 177.584 0.188 0.000 1.181 315 A CA 1.017 53.137 52.037 0.137 0.000 0.620 315 A CB -0.537 18.518 19.000 0.093 0.000 0.819 315 A HN 0.120 nan 8.150 nan 0.000 0.442 316 V N -0.371 119.643 119.914 0.167 0.000 2.626 316 V HA -0.177 3.943 4.120 -0.000 0.000 0.252 316 V C 2.857 179.009 176.094 0.098 0.000 1.067 316 V CA 1.723 64.122 62.300 0.165 0.000 1.081 316 V CB -0.834 31.071 31.823 0.137 0.000 0.686 316 V HN 0.601 nan 8.190 nan 0.000 0.468 317 A N 0.682 123.544 122.820 0.069 0.000 2.072 317 A HA -0.098 4.222 4.320 -0.000 0.000 0.216 317 A C 2.212 179.818 177.584 0.036 0.000 1.156 317 A CA 1.402 53.464 52.037 0.043 0.000 0.701 317 A CB -0.159 18.857 19.000 0.026 0.000 0.816 317 A HN 0.711 nan 8.150 nan 0.000 0.458 318 K N -1.130 119.298 120.400 0.046 0.000 2.313 318 K HA 0.341 4.661 4.320 -0.000 0.000 0.197 318 K C 0.253 176.869 176.600 0.027 0.000 1.061 318 K CA -0.099 56.205 56.287 0.028 0.000 0.980 318 K CB -0.163 32.348 32.500 0.017 0.000 0.888 318 K HN 0.332 nan 8.250 nan 0.000 0.502 319 L N 2.432 123.688 121.223 0.056 0.000 2.399 319 L HA 0.434 4.774 4.340 -0.000 0.000 0.265 319 L C -2.259 174.618 176.870 0.012 0.000 1.089 319 L CA -2.769 52.087 54.840 0.026 0.000 0.802 319 L CB 0.590 42.684 42.059 0.059 0.000 1.180 319 L HN -0.081 nan 8.230 nan 0.000 0.454 320 P HA 0.037 nan 4.420 nan 0.000 0.266 320 P C 0.508 177.803 177.300 -0.007 0.000 1.195 320 P CA -0.032 63.055 63.100 -0.022 0.000 0.768 320 P CB 0.538 32.210 31.700 -0.047 0.000 0.838 321 T N 0.792 115.352 114.554 0.011 0.000 2.737 321 T HA -0.225 4.125 4.350 -0.000 0.000 0.269 321 T C 1.590 176.301 174.700 0.018 0.000 1.040 321 T CA 1.515 63.632 62.100 0.028 0.000 1.142 321 T CB -0.406 68.486 68.868 0.040 0.000 0.861 321 T HN 0.442 nan 8.240 nan 0.000 0.456 322 Q N 0.813 120.615 119.800 0.003 0.000 2.437 322 Q HA 0.034 4.374 4.340 -0.000 0.000 0.210 322 Q C 1.692 177.648 176.000 -0.074 0.000 0.972 322 Q CA 1.259 57.053 55.803 -0.016 0.000 0.903 322 Q CB -0.091 28.634 28.738 -0.022 0.000 0.967 322 Q HN 0.444 nan 8.270 nan 0.000 0.486 323 K N -1.643 118.701 120.400 -0.093 0.000 2.354 323 K HA 0.102 4.422 4.320 -0.000 0.000 0.194 323 K C 0.826 177.296 176.600 -0.217 0.000 1.038 323 K CA 0.928 57.124 56.287 -0.152 0.000 1.052 323 K CB 0.803 33.170 32.500 -0.222 0.000 0.861 323 K HN 0.207 nan 8.250 nan 0.000 0.535 324 T N -1.560 112.904 114.554 -0.151 0.000 3.214 324 T HA 0.190 4.540 4.350 -0.000 0.000 0.264 324 T C 0.999 175.620 174.700 -0.132 0.000 1.012 324 T CA -0.308 61.677 62.100 -0.191 0.000 0.901 324 T CB 0.323 69.258 68.868 0.112 0.000 1.070 324 T HN -0.094 nan 8.240 nan 0.000 0.561 325 E N 1.375 121.497 120.200 -0.130 0.000 2.058 325 E HA -0.081 4.268 4.350 -0.000 0.000 0.194 325 E C 2.182 178.721 176.600 -0.102 0.000 0.997 325 E CA 1.033 57.425 56.400 -0.012 0.000 0.801 325 E CB -0.295 29.442 29.700 0.062 0.000 0.746 325 E HN 0.461 nan 8.360 nan 0.000 0.450 326 V N 1.195 120.887 119.914 -0.370 0.000 2.379 326 V HA -0.207 3.913 4.120 -0.000 0.000 0.245 326 V C 2.197 178.161 176.094 -0.217 0.000 1.044 326 V CA 1.315 63.224 62.300 -0.652 0.000 1.036 326 V CB -0.611 30.816 31.823 -0.659 0.000 0.664 326 V HN 0.080 nan 8.190 nan 0.000 0.453 327 F N 1.014 120.879 119.950 -0.142 0.000 2.095 327 F HA -0.144 4.383 4.527 -0.000 0.000 0.298 327 F C 2.566 178.333 175.800 -0.056 0.000 1.104 327 F CA 1.281 59.239 58.000 -0.069 0.000 1.232 327 F CB -1.143 37.859 39.000 0.003 0.000 0.987 327 F HN 0.088 nan 8.300 nan 0.000 0.475 328 R N -0.216 120.384 120.500 0.166 0.000 2.148 328 R HA -0.065 4.275 4.340 -0.000 0.000 0.227 328 R C 2.531 178.877 176.300 0.077 0.000 1.103 328 R CA 0.915 57.079 56.100 0.106 0.000 0.983 328 R CB -0.898 29.463 30.300 0.102 0.000 0.874 328 R HN 0.386 nan 8.270 nan 0.000 0.451 329 G N 0.224 109.074 108.800 0.085 0.000 2.404 329 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.215 329 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.215 329 G C 1.416 176.342 174.900 0.044 0.000 1.174 329 G CA 0.465 45.648 45.100 0.139 0.000 0.780 329 G HN 0.108 nan 8.290 nan 0.000 0.537 330 V N 1.018 120.928 119.914 -0.007 0.000 2.343 330 V HA -0.135 3.985 4.120 -0.000 0.000 0.247 330 V C 2.916 178.973 176.094 -0.062 0.000 1.051 330 V CA 1.457 63.722 62.300 -0.059 0.000 1.036 330 V CB -0.421 31.375 31.823 -0.044 0.000 0.654 330 V HN 0.332 nan 8.190 nan 0.000 0.451 331 L N -0.119 121.083 121.223 -0.035 0.000 2.093 331 L HA -0.175 4.164 4.340 -0.000 0.000 0.208 331 L C 2.621 179.449 176.870 -0.070 0.000 1.085 331 L CA 1.685 56.489 54.840 -0.060 0.000 0.755 331 L CB -0.513 41.528 42.059 -0.029 0.000 0.904 331 L HN 0.394 nan 8.230 nan 0.000 0.435 332 E N -0.075 120.113 120.200 -0.019 0.000 2.077 332 E HA -0.230 4.120 4.350 -0.000 0.000 0.193 332 E C 2.206 178.824 176.600 0.029 0.000 0.989 332 E CA 1.300 57.708 56.400 0.013 0.000 0.800 332 E CB 0.008 29.749 29.700 0.068 0.000 0.746 332 E HN 0.298 nan 8.360 nan 0.000 0.452 333 Q N 0.156 119.983 119.800 0.044 0.000 2.079 333 Q HA -0.070 4.270 4.340 -0.000 0.000 0.200 333 Q C 2.477 178.537 176.000 0.100 0.000 0.974 333 Q CA 1.165 57.037 55.803 0.114 0.000 0.840 333 Q CB -0.399 28.377 28.738 0.064 0.000 0.898 333 Q HN 0.402 nan 8.270 nan 0.000 0.430 334 L N 0.425 121.638 121.223 -0.016 0.000 2.261 334 L HA -0.174 4.166 4.340 -0.000 0.000 0.216 334 L C 2.475 179.264 176.870 -0.134 0.000 1.114 334 L CA 0.905 55.705 54.840 -0.066 0.000 0.777 334 L CB -0.317 41.638 42.059 -0.173 0.000 0.910 334 L HN 0.200 nan 8.230 nan 0.000 0.440 335 R N -0.585 119.716 120.500 -0.332 0.000 2.096 335 R HA -0.165 4.175 4.340 -0.000 0.000 0.235 335 R C 0.969 176.844 176.300 -0.709 0.000 1.127 335 R CA 1.696 57.374 56.100 -0.704 0.000 0.968 335 R CB -0.217 29.316 30.300 -1.279 0.000 0.861 335 R HN 0.424 nan 8.270 nan 0.000 0.440 336 W N -0.587 120.747 121.300 0.057 0.000 3.015 336 W HA 0.277 4.937 4.660 -0.000 0.000 0.429 336 W C -0.398 176.164 176.519 0.072 0.000 0.976 336 W CA -1.025 56.341 57.345 0.034 0.000 2.086 336 W CB 0.082 29.538 29.460 -0.008 0.000 1.125 336 W HN -0.137 nan 8.180 nan 0.000 0.721 337 F N 1.817 121.803 119.950 0.061 0.000 2.334 337 F HA 0.623 5.150 4.527 -0.000 0.000 0.367 337 F C 1.128 176.945 175.800 0.028 0.000 1.115 337 F CA -0.371 57.650 58.000 0.036 0.000 1.116 337 F CB 0.041 39.030 39.000 -0.019 0.000 1.230 337 F HN 0.112 nan 8.300 nan 0.000 0.484 338 A N 3.695 126.607 122.820 0.152 0.000 5.578 338 A HA -0.039 4.281 4.320 -0.000 0.000 0.312 338 A C 0.677 178.359 177.584 0.164 0.000 1.861 338 A CA 1.050 53.183 52.037 0.161 0.000 0.719 338 A CB -1.872 17.279 19.000 0.251 0.000 1.323 338 A HN 1.435 nan 8.150 nan 0.000 0.387 339 G N -3.614 105.276 108.800 0.150 0.000 3.086 339 G HA2 0.540 4.499 3.960 -0.000 0.000 0.282 339 G HA3 0.540 4.499 3.960 -0.000 0.000 0.282 339 G C 0.288 175.230 174.900 0.069 0.000 1.343 339 G CA 0.481 45.640 45.100 0.099 0.000 0.895 339 G HN 0.646 nan 8.290 nan 0.000 0.557 340 K N -0.362 120.054 120.400 0.027 0.000 2.026 340 K HA -0.094 4.226 4.320 -0.000 0.000 0.208 340 K C 2.579 179.212 176.600 0.054 0.000 1.048 340 K CA 1.445 57.736 56.287 0.008 0.000 0.929 340 K CB -0.461 32.015 32.500 -0.041 0.000 0.713 340 K HN 0.470 nan 8.250 nan 0.000 0.439 341 Q N 0.451 120.299 119.800 0.081 0.000 2.061 341 Q HA -0.110 4.230 4.340 -0.000 0.000 0.204 341 Q C 2.235 178.310 176.000 0.125 0.000 0.984 341 Q CA 1.405 57.277 55.803 0.115 0.000 0.846 341 Q CB -0.487 28.322 28.738 0.119 0.000 0.902 341 Q HN 0.029 nan 8.270 nan 0.000 0.421 342 V N 0.583 120.571 119.914 0.123 0.000 2.379 342 V HA -0.197 3.923 4.120 -0.000 0.000 0.245 342 V C 1.911 178.064 176.094 0.098 0.000 1.044 342 V CA 1.608 63.989 62.300 0.135 0.000 1.036 342 V CB -0.362 31.565 31.823 0.174 0.000 0.664 342 V HN 0.295 nan 8.190 nan 0.000 0.453 343 K N 0.028 120.466 120.400 0.063 0.000 2.209 343 K HA -0.090 4.230 4.320 -0.000 0.000 0.204 343 K C 2.199 178.751 176.600 -0.080 0.000 1.048 343 K CA 1.401 57.659 56.287 -0.048 0.000 0.940 343 K CB -0.161 32.291 32.500 -0.081 0.000 0.729 343 K HN 0.352 nan 8.250 nan 0.000 0.451 344 S N 0.291 115.977 115.700 -0.023 0.000 2.522 344 S HA -0.053 4.417 4.470 -0.000 0.000 0.227 344 S C 1.740 176.265 174.600 -0.126 0.000 0.986 344 S CA 0.958 59.112 58.200 -0.075 0.000 0.929 344 S CB 0.290 63.540 63.200 0.084 0.000 0.769 344 S HN 0.302 nan 8.310 nan 0.000 0.529 345 V N -2.263 117.647 119.914 -0.008 0.000 3.572 345 V HA 0.585 4.705 4.120 -0.000 0.000 0.260 345 V C 0.670 176.768 176.094 0.006 0.000 1.324 345 V CA 0.010 62.322 62.300 0.019 0.000 1.068 345 V CB -0.590 31.309 31.823 0.127 0.000 0.837 345 V HN 0.250 nan 8.190 nan 0.000 0.450 346 A N 2.502 125.325 122.820 0.005 0.000 2.492 346 A HA 0.608 4.928 4.320 -0.000 0.000 0.254 346 A C 0.685 178.237 177.584 -0.055 0.000 1.091 346 A CA 0.730 52.772 52.037 0.008 0.000 0.768 346 A CB -0.192 18.836 19.000 0.045 0.000 1.028 346 A HN 1.069 nan 8.150 nan 0.000 0.498 347 S N 2.558 118.242 115.700 -0.028 0.000 2.687 347 S HA 0.528 4.998 4.470 -0.000 0.000 0.283 347 S C 1.002 175.575 174.600 -0.045 0.000 1.170 347 S CA -0.745 57.425 58.200 -0.050 0.000 1.008 347 S CB 0.871 64.054 63.200 -0.028 0.000 1.026 347 S HN 0.581 nan 8.310 nan 0.000 0.541 348 L N 1.387 122.571 121.223 -0.064 0.000 1.976 348 L HA 0.036 4.375 4.340 -0.000 0.000 0.209 348 L C 2.865 179.751 176.870 0.027 0.000 1.071 348 L CA 1.732 56.553 54.840 -0.032 0.000 0.746 348 L CB -1.264 40.744 42.059 -0.084 0.000 0.890 348 L HN 1.026 nan 8.230 nan 0.000 0.432 349 G N -0.642 108.158 108.800 0.000 0.000 2.469 349 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.219 349 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.219 349 G C 1.514 176.444 174.900 0.050 0.000 1.150 349 G CA 0.851 45.962 45.100 0.018 0.000 0.763 349 G HN 0.534 nan 8.290 nan 0.000 0.561 350 G N 0.836 109.659 108.800 0.038 0.000 2.446 350 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.217 350 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.217 350 G C 1.697 176.655 174.900 0.096 0.000 1.168 350 G CA 1.303 46.433 45.100 0.050 0.000 0.771 350 G HN 0.552 nan 8.290 nan 0.000 0.551 351 N N 0.117 118.895 118.700 0.130 0.000 2.142 351 N HA 0.000 4.740 4.740 -0.000 0.000 0.186 351 N C 2.220 177.859 175.510 0.214 0.000 1.023 351 N CA 0.937 54.097 53.050 0.184 0.000 0.852 351 N CB -0.170 38.459 38.487 0.237 0.000 0.998 351 N HN 0.407 nan 8.380 nan 0.000 0.424 352 I N 0.223 120.943 120.570 0.249 0.000 2.163 352 I HA -0.210 3.960 4.170 -0.000 0.000 0.240 352 I C 1.509 177.848 176.117 0.370 0.000 1.081 352 I CA 0.706 62.218 61.300 0.354 0.000 1.353 352 I CB -0.216 37.954 38.000 0.283 0.000 1.054 352 I HN 0.201 nan 8.210 nan 0.000 0.407 353 I N 0.328 121.035 120.570 0.227 0.000 2.546 353 I HA -0.165 4.005 4.170 -0.000 0.000 0.255 353 I C 2.525 178.711 176.117 0.116 0.000 1.163 353 I CA 1.395 62.795 61.300 0.165 0.000 1.457 353 I CB -1.738 36.307 38.000 0.074 0.000 1.092 353 I HN 0.215 nan 8.210 nan 0.000 0.434 354 T N 1.431 116.044 114.554 0.099 0.000 2.803 354 T HA -0.054 4.296 4.350 -0.000 0.000 0.269 354 T C 1.307 176.031 174.700 0.040 0.000 1.052 354 T CA 1.189 63.316 62.100 0.046 0.000 1.136 354 T CB -0.320 68.577 68.868 0.049 0.000 0.864 354 T HN 0.551 nan 8.240 nan 0.000 0.467 355 A N 1.593 124.488 122.820 0.125 0.000 2.687 355 A HA -0.144 4.176 4.320 -0.000 0.000 0.299 355 A C 0.919 178.457 177.584 -0.078 0.000 1.497 355 A CA 0.691 52.787 52.037 0.098 0.000 0.751 355 A CB -2.143 17.011 19.000 0.256 0.000 1.048 355 A HN 0.540 nan 8.150 nan 0.000 0.464 356 S N -0.362 115.300 115.700 -0.064 0.000 2.576 356 S HA 0.489 4.959 4.470 -0.000 0.000 0.276 356 S C -0.508 174.041 174.600 -0.086 0.000 1.339 356 S CA -0.674 57.483 58.200 -0.072 0.000 1.039 356 S CB 0.660 63.841 63.200 -0.031 0.000 0.902 356 S HN 0.287 nan 8.310 nan 0.000 0.516 357 P HA -0.048 nan 4.420 nan 0.000 0.219 357 P C 0.619 177.900 177.300 -0.031 0.000 1.146 357 P CA 0.927 64.021 63.100 -0.010 0.000 0.808 357 P CB -0.141 31.607 31.700 0.080 0.000 0.779 358 I N -5.074 115.479 120.570 -0.028 0.000 3.889 358 I HA 0.256 4.426 4.170 -0.000 0.000 0.332 358 I C 0.441 176.523 176.117 -0.059 0.000 1.493 358 I CA -0.995 60.285 61.300 -0.034 0.000 1.158 358 I CB -0.918 37.065 38.000 -0.028 0.000 1.117 358 I HN -0.284 nan 8.210 nan 0.000 0.411 359 S N 1.152 116.813 115.700 -0.065 0.000 2.549 359 S HA 0.041 4.511 4.470 -0.000 0.000 0.286 359 S C 0.906 175.477 174.600 -0.049 0.000 1.314 359 S CA 0.011 58.181 58.200 -0.051 0.000 1.062 359 S CB 0.274 63.455 63.200 -0.032 0.000 0.865 359 S HN 0.454 nan 8.310 nan 0.000 0.498 360 D N 3.859 124.238 120.400 -0.034 0.000 2.348 360 D HA 0.079 4.719 4.640 -0.000 0.000 0.211 360 D C 1.481 177.754 176.300 -0.045 0.000 0.998 360 D CA 0.567 54.558 54.000 -0.015 0.000 0.873 360 D CB 0.225 41.035 40.800 0.017 0.000 0.925 360 D HN 0.521 nan 8.370 nan 0.000 0.524 361 L N 0.347 121.528 121.223 -0.070 0.000 2.316 361 L HA 0.046 4.385 4.340 -0.000 0.000 0.207 361 L C 1.985 178.549 176.870 -0.510 0.000 1.070 361 L CA 0.208 54.809 54.840 -0.398 0.000 0.820 361 L CB -0.190 41.623 42.059 -0.410 0.000 0.992 361 L HN -0.168 nan 8.230 nan 0.000 0.466 362 N N 0.642 119.267 118.700 -0.124 0.000 2.149 362 N HA -0.139 4.601 4.740 -0.000 0.000 0.188 362 N C -0.854 174.693 175.510 0.062 0.000 1.019 362 N CA 1.461 54.566 53.050 0.092 0.000 0.857 362 N CB -1.297 37.224 38.487 0.057 0.000 0.997 362 N HN 0.223 nan 8.380 nan 0.000 0.426 363 P HA -0.039 nan 4.420 nan 0.000 0.217 363 P C 1.690 178.998 177.300 0.013 0.000 1.150 363 P CA 0.621 63.712 63.100 -0.015 0.000 0.832 363 P CB 0.180 31.840 31.700 -0.066 0.000 0.787 364 V N -1.448 118.441 119.914 -0.042 0.000 2.379 364 V HA -0.183 3.937 4.120 -0.000 0.000 0.245 364 V C 2.101 178.292 176.094 0.163 0.000 1.044 364 V CA 1.616 63.968 62.300 0.086 0.000 1.036 364 V CB -1.232 30.534 31.823 -0.095 0.000 0.664 364 V HN 0.077 nan 8.190 nan 0.000 0.453 365 F N -0.944 119.056 119.950 0.085 0.000 2.186 365 F HA -0.205 4.322 4.527 -0.000 0.000 0.299 365 F C 2.452 178.288 175.800 0.060 0.000 1.090 365 F CA 1.559 59.581 58.000 0.038 0.000 1.307 365 F CB -0.156 38.862 39.000 0.030 0.000 1.019 365 F HN 0.128 nan 8.300 nan 0.000 0.489 366 M N 0.398 120.179 119.600 0.301 0.000 2.099 366 M HA -0.137 4.343 4.480 -0.000 0.000 0.262 366 M C 2.434 178.846 176.300 0.185 0.000 1.067 366 M CA 1.883 57.326 55.300 0.238 0.000 1.124 366 M CB -0.223 32.538 32.600 0.268 0.000 1.353 366 M HN 0.105 nan 8.290 nan 0.000 0.410 367 A N -0.064 122.866 122.820 0.184 0.000 1.972 367 A HA -0.150 4.169 4.320 -0.000 0.000 0.219 367 A C 2.093 179.836 177.584 0.265 0.000 1.169 367 A CA 2.058 54.202 52.037 0.177 0.000 0.635 367 A CB -0.921 18.133 19.000 0.091 0.000 0.810 367 A HN 0.721 nan 8.150 nan 0.000 0.446 368 S N -1.790 114.077 115.700 0.279 0.000 2.575 368 S HA 0.377 4.846 4.470 -0.000 0.000 0.215 368 S C 1.317 175.949 174.600 0.054 0.000 0.966 368 S CA 0.915 59.191 58.200 0.127 0.000 0.911 368 S CB -0.454 62.687 63.200 -0.099 0.000 0.780 368 S HN 1.890 nan 8.310 nan 0.000 0.514 369 G N 1.539 110.384 108.800 0.075 0.000 2.283 369 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.280 369 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.280 369 G C 0.114 174.993 174.900 -0.036 0.000 1.029 369 G CA 0.365 45.477 45.100 0.020 0.000 0.840 369 G HN 0.579 nan 8.290 nan 0.000 0.505 370 T N 0.745 115.281 114.554 -0.030 0.000 2.905 370 T HA 0.220 4.570 4.350 -0.000 0.000 0.299 370 T C 0.977 175.556 174.700 -0.202 0.000 1.024 370 T CA 0.576 62.600 62.100 -0.126 0.000 1.151 370 T CB 0.531 69.280 68.868 -0.199 0.000 0.987 370 T HN 0.445 nan 8.240 nan 0.000 0.535 371 K N 3.183 123.463 120.400 -0.199 0.000 2.249 371 K HA 0.393 4.713 4.320 -0.000 0.000 0.280 371 K C -0.398 176.052 176.600 -0.249 0.000 1.033 371 K CA -0.342 55.824 56.287 -0.201 0.000 0.946 371 K CB 0.676 33.086 32.500 -0.151 0.000 1.005 371 K HN 0.451 nan 8.250 nan 0.000 0.469 372 L N 2.463 123.530 121.223 -0.261 0.000 2.325 372 L HA 0.301 4.641 4.340 -0.000 0.000 0.281 372 L C -0.217 176.549 176.870 -0.173 0.000 1.004 372 L CA -0.761 53.921 54.840 -0.264 0.000 0.823 372 L CB 1.798 43.625 42.059 -0.387 0.000 1.236 372 L HN 0.537 nan 8.230 nan 0.000 0.415 373 T N 4.640 119.111 114.554 -0.138 0.000 2.738 373 T HA 0.555 4.904 4.350 -0.000 0.000 0.298 373 T C 0.048 174.703 174.700 -0.075 0.000 0.962 373 T CA -0.119 61.923 62.100 -0.097 0.000 0.972 373 T CB 0.319 69.133 68.868 -0.089 0.000 0.928 373 T HN 0.270 nan 8.240 nan 0.000 0.474 374 I N 4.170 124.706 120.570 -0.055 0.000 2.412 374 I HA 0.650 4.820 4.170 -0.000 0.000 0.296 374 I C 0.102 176.200 176.117 -0.031 0.000 0.987 374 I CA -1.086 60.194 61.300 -0.033 0.000 1.180 374 I CB 1.600 39.596 38.000 -0.007 0.000 1.340 374 I HN 0.344 nan 8.210 nan 0.000 0.455 375 V N 2.147 122.044 119.914 -0.030 0.000 3.130 375 V HA 0.949 5.069 4.120 -0.000 0.000 0.310 375 V C -0.459 175.618 176.094 -0.029 0.000 1.158 375 V CA -0.504 61.778 62.300 -0.030 0.000 1.029 375 V CB 1.835 33.639 31.823 -0.032 0.000 1.057 375 V HN 0.865 nan 8.190 nan 0.000 0.436 376 S N 1.076 116.759 115.700 -0.028 0.000 2.596 376 S HA 0.600 5.070 4.470 -0.000 0.000 0.270 376 S C -0.622 173.962 174.600 -0.027 0.000 1.155 376 S CA -0.952 57.231 58.200 -0.029 0.000 0.827 376 S CB 1.786 64.969 63.200 -0.029 0.000 1.130 376 S HN 1.269 nan 8.310 nan 0.000 0.467 377 R N 0.308 120.791 120.500 -0.028 0.000 2.483 377 R HA 0.393 4.733 4.340 -0.000 0.000 0.329 377 R C 1.429 177.715 176.300 -0.024 0.000 0.961 377 R CA 1.709 57.793 56.100 -0.026 0.000 1.041 377 R CB -0.872 29.411 30.300 -0.028 0.000 0.930 377 R HN 1.647 nan 8.270 nan 0.000 0.413 378 G N 2.472 111.259 108.800 -0.022 0.000 2.234 378 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.235 378 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.235 378 G C 0.041 174.928 174.900 -0.021 0.000 0.997 378 G CA 0.328 45.416 45.100 -0.021 0.000 0.623 378 G HN 0.850 nan 8.290 nan 0.000 0.514 379 T N -2.630 111.911 114.554 -0.023 0.000 2.916 379 T HA 0.787 5.137 4.350 -0.000 0.000 0.292 379 T C -0.660 174.025 174.700 -0.025 0.000 1.064 379 T CA 0.029 62.115 62.100 -0.023 0.000 1.011 379 T CB 2.879 71.733 68.868 -0.023 0.000 1.152 379 T HN 1.086 nan 8.240 nan 0.000 0.510 380 R N 0.777 121.262 120.500 -0.026 0.000 2.563 380 R HA 0.559 4.899 4.340 -0.000 0.000 0.262 380 R C -1.450 174.831 176.300 -0.031 0.000 1.128 380 R CA -0.721 55.361 56.100 -0.030 0.000 0.969 380 R CB 1.308 31.590 30.300 -0.031 0.000 1.251 380 R HN 1.066 nan 8.270 nan 0.000 0.442 381 R N 1.484 121.963 120.500 -0.034 0.000 2.707 381 R HA 0.545 4.885 4.340 -0.000 0.000 0.272 381 R C -1.677 174.595 176.300 -0.048 0.000 1.011 381 R CA -0.953 55.126 56.100 -0.036 0.000 0.893 381 R CB 2.330 32.613 30.300 -0.029 0.000 1.233 381 R HN 0.436 nan 8.270 nan 0.000 0.464 382 T N 1.815 116.337 114.554 -0.054 0.000 2.840 382 T HA 0.473 4.823 4.350 -0.000 0.000 0.287 382 T C -0.687 173.967 174.700 -0.077 0.000 0.991 382 T CA -0.649 61.407 62.100 -0.074 0.000 0.964 382 T CB 1.458 70.281 68.868 -0.076 0.000 0.954 382 T HN 0.556 nan 8.240 nan 0.000 0.438 383 V N 1.657 121.510 119.914 -0.102 0.000 2.841 383 V HA 0.843 4.963 4.120 -0.000 0.000 0.310 383 V C -2.946 173.057 176.094 -0.151 0.000 1.090 383 V CA -3.018 59.221 62.300 -0.102 0.000 0.930 383 V CB 2.184 33.962 31.823 -0.075 0.000 1.014 383 V HN 0.574 nan 8.190 nan 0.000 0.425 384 P HA 0.239 nan 4.420 nan 0.000 0.275 384 P C -0.300 176.905 177.300 -0.159 0.000 1.227 384 P CA -0.416 62.606 63.100 -0.130 0.000 0.781 384 P CB 1.160 32.816 31.700 -0.073 0.000 0.906 385 M N 3.762 123.237 119.600 -0.208 0.000 2.238 385 M HA 0.090 4.570 4.480 -0.000 0.000 0.350 385 M C -0.005 176.279 176.300 -0.026 0.000 1.321 385 M CA 0.871 56.034 55.300 -0.229 0.000 1.097 385 M CB 0.060 32.527 32.600 -0.222 0.000 1.713 385 M HN 0.464 nan 8.290 nan 0.000 0.455 386 D N 3.352 123.769 120.400 0.028 0.000 2.744 386 D HA 0.098 4.738 4.640 -0.000 0.000 0.304 386 D C 0.688 177.090 176.300 0.170 0.000 1.179 386 D CA -0.337 53.731 54.000 0.115 0.000 1.024 386 D CB 0.021 40.863 40.800 0.070 0.000 1.453 386 D HN 0.814 nan 8.370 nan 0.000 0.529 387 H N -0.983 118.186 119.070 0.164 0.000 2.489 387 H HA -0.121 4.435 4.556 -0.000 0.000 0.295 387 H C 1.255 176.699 175.328 0.193 0.000 1.082 387 H CA 2.136 58.302 56.048 0.197 0.000 1.295 387 H CB -0.952 28.895 29.762 0.141 0.000 1.380 387 H HN 0.496 nan 8.280 nan 0.000 0.548 388 T N -2.630 111.670 114.554 -0.424 0.000 3.055 388 T HA -0.100 4.250 4.350 -0.000 0.000 0.265 388 T C 1.800 176.451 174.700 -0.082 0.000 1.111 388 T CA 0.229 62.176 62.100 -0.256 0.000 1.118 388 T CB -0.871 67.811 68.868 -0.310 0.000 0.909 388 T HN 0.233 nan 8.240 nan 0.000 0.501 389 F N 1.880 121.695 119.950 -0.224 0.000 2.269 389 F HA 0.242 4.769 4.527 -0.000 0.000 0.301 389 F C 0.038 175.529 175.800 -0.514 0.000 1.082 389 F CA -0.179 57.578 58.000 -0.405 0.000 1.360 389 F CB -0.227 38.423 39.000 -0.584 0.000 1.041 389 F HN 0.168 nan 8.300 nan 0.000 0.512 390 F N 1.978 121.926 119.950 -0.003 0.000 2.319 390 F HA 0.317 4.844 4.527 -0.000 0.000 0.356 390 F C -1.422 174.363 175.800 -0.026 0.000 1.100 390 F CA -2.119 55.847 58.000 -0.056 0.000 1.220 390 F CB 0.178 39.214 39.000 0.059 0.000 1.506 390 F HN -0.183 nan 8.300 nan 0.000 0.512 391 P HA -0.093 nan 4.420 nan 0.000 0.217 391 P C 0.172 177.521 177.300 0.082 0.000 1.150 391 P CA 1.112 64.236 63.100 0.040 0.000 0.832 391 P CB 0.536 32.221 31.700 -0.026 0.000 0.787 392 S N -3.239 112.517 115.700 0.094 0.000 2.672 392 S HA 0.254 4.723 4.470 -0.000 0.000 0.271 392 S C -1.054 173.639 174.600 0.155 0.000 1.171 392 S CA -1.011 57.262 58.200 0.122 0.000 0.817 392 S CB 0.143 63.403 63.200 0.100 0.000 1.150 392 S HN -0.035 nan 8.310 nan 0.000 0.478 393 Y N 3.140 123.466 120.300 0.044 0.000 2.887 393 Y HA 0.079 4.629 4.550 -0.000 0.000 0.350 393 Y C 1.431 177.359 175.900 0.047 0.000 1.294 393 Y CA 1.188 59.312 58.100 0.039 0.000 1.622 393 Y CB -0.140 38.338 38.460 0.030 0.000 1.201 393 Y HN 0.803 nan 8.280 nan 0.000 0.546 394 R N 2.011 122.245 120.500 -0.443 0.000 3.953 394 R HA -0.248 4.092 4.340 -0.000 0.000 0.340 394 R C -0.657 175.565 176.300 -0.130 0.000 1.195 394 R CA 1.234 57.105 56.100 -0.383 0.000 0.929 394 R CB -1.661 28.271 30.300 -0.613 0.000 1.402 394 R HN 0.682 nan 8.270 nan 0.000 0.540 395 K N 0.382 120.759 120.400 -0.037 0.000 2.328 395 K HA 0.501 4.821 4.320 -0.000 0.000 0.246 395 K C 0.492 177.046 176.600 -0.078 0.000 0.955 395 K CA -0.297 55.962 56.287 -0.046 0.000 0.817 395 K CB 2.197 34.673 32.500 -0.038 0.000 1.208 395 K HN 0.146 nan 8.250 nan 0.000 0.432 396 T N -2.284 112.114 114.554 -0.259 0.000 2.888 396 T HA 0.380 4.730 4.350 -0.000 0.000 0.288 396 T C 0.701 175.021 174.700 -0.633 0.000 1.063 396 T CA -0.951 60.728 62.100 -0.700 0.000 1.010 396 T CB 0.582 68.936 68.868 -0.856 0.000 1.214 396 T HN 0.412 nan 8.240 nan 0.000 0.533 397 L N 0.241 120.915 121.223 -0.914 0.000 2.645 397 L HA 0.246 4.586 4.340 -0.000 0.000 0.235 397 L C -0.098 176.626 176.870 -0.244 0.000 1.150 397 L CA -0.170 54.410 54.840 -0.433 0.000 0.911 397 L CB -0.585 41.297 42.059 -0.295 0.000 1.077 397 L HN 0.415 nan 8.230 nan 0.000 0.438 398 L N 0.053 121.127 121.223 -0.248 0.000 2.439 398 L HA 0.259 4.599 4.340 -0.000 0.000 0.269 398 L C 1.138 177.955 176.870 -0.089 0.000 1.179 398 L CA 0.454 55.232 54.840 -0.103 0.000 0.828 398 L CB 0.697 42.716 42.059 -0.066 0.000 1.106 398 L HN -0.057 nan 8.230 nan 0.000 0.467 399 G N 2.329 111.094 108.800 -0.057 0.000 2.599 399 G HA2 0.334 4.294 3.960 -0.000 0.000 0.264 399 G HA3 0.334 4.294 3.960 -0.000 0.000 0.264 399 G C -1.688 173.184 174.900 -0.047 0.000 1.200 399 G CA -0.655 44.415 45.100 -0.050 0.000 0.896 399 G HN 0.624 nan 8.290 nan 0.000 0.536 400 P HA -0.066 nan 4.420 nan 0.000 0.220 400 P C 0.783 178.061 177.300 -0.037 0.000 1.148 400 P CA 1.130 64.208 63.100 -0.037 0.000 0.803 400 P CB 0.449 32.132 31.700 -0.028 0.000 0.782 401 E N -0.350 119.829 120.200 -0.035 0.000 2.442 401 E HA 0.043 4.393 4.350 -0.000 0.000 0.195 401 E C 0.621 177.200 176.600 -0.036 0.000 1.030 401 E CA 0.284 56.662 56.400 -0.035 0.000 0.869 401 E CB -0.184 29.495 29.700 -0.035 0.000 0.857 401 E HN 0.512 nan 8.360 nan 0.000 0.505 402 E N 0.237 120.416 120.200 -0.036 0.000 2.314 402 E HA 0.438 4.788 4.350 -0.000 0.000 0.262 402 E C -0.213 176.367 176.600 -0.035 0.000 1.093 402 E CA -0.569 55.811 56.400 -0.033 0.000 0.908 402 E CB 1.208 30.892 29.700 -0.027 0.000 1.091 402 E HN 0.033 nan 8.360 nan 0.000 0.425 403 I N -1.752 118.800 120.570 -0.031 0.000 2.894 403 I HA 0.336 4.506 4.170 -0.000 0.000 0.302 403 I C -1.361 174.742 176.117 -0.024 0.000 1.188 403 I CA -1.290 59.990 61.300 -0.032 0.000 1.014 403 I CB 1.111 39.086 38.000 -0.043 0.000 1.242 403 I HN 0.287 nan 8.210 nan 0.000 0.430 404 L N 4.193 125.405 121.223 -0.018 0.000 2.315 404 L HA 0.376 4.715 4.340 -0.000 0.000 0.283 404 L C 0.401 177.247 176.870 -0.039 0.000 1.089 404 L CA 0.069 54.895 54.840 -0.023 0.000 0.833 404 L CB 0.940 42.992 42.059 -0.011 0.000 1.170 404 L HN 0.878 nan 8.230 nan 0.000 0.442 405 L N 3.977 125.172 121.223 -0.048 0.000 2.084 405 L HA 0.275 4.615 4.340 -0.000 0.000 0.202 405 L C 0.751 177.588 176.870 -0.056 0.000 1.074 405 L CA 1.479 56.290 54.840 -0.048 0.000 0.757 405 L CB -0.037 41.993 42.059 -0.048 0.000 0.918 405 L HN 0.859 nan 8.230 nan 0.000 0.444 406 S N -2.020 113.635 115.700 -0.075 0.000 2.625 406 S HA 0.681 5.150 4.470 -0.000 0.000 0.271 406 S C -0.987 173.538 174.600 -0.125 0.000 1.161 406 S CA -0.826 57.324 58.200 -0.085 0.000 0.820 406 S CB 1.674 64.822 63.200 -0.086 0.000 1.137 406 S HN -0.064 nan 8.310 nan 0.000 0.470 407 I N 0.860 121.354 120.570 -0.127 0.000 2.533 407 I HA 0.509 4.679 4.170 -0.000 0.000 0.290 407 I C -0.577 175.450 176.117 -0.150 0.000 1.056 407 I CA -0.231 60.948 61.300 -0.202 0.000 1.057 407 I CB 2.086 39.896 38.000 -0.318 0.000 1.240 407 I HN 0.888 nan 8.210 nan 0.000 0.423 408 E N 6.529 126.616 120.200 -0.188 0.000 2.114 408 E HA 0.503 4.853 4.350 -0.000 0.000 0.266 408 E C -1.127 175.387 176.600 -0.142 0.000 0.896 408 E CA -0.504 55.800 56.400 -0.161 0.000 0.750 408 E CB 0.955 30.555 29.700 -0.168 0.000 1.121 408 E HN 0.509 nan 8.360 nan 0.000 0.413 409 I N 7.524 128.061 120.570 -0.054 0.000 2.379 409 I HA 0.212 4.382 4.170 -0.000 0.000 0.290 409 I C -1.845 174.295 176.117 0.038 0.000 1.063 409 I CA -1.985 59.340 61.300 0.042 0.000 1.351 409 I CB 0.709 38.835 38.000 0.211 0.000 1.410 409 I HN 0.361 nan 8.210 nan 0.000 0.505 410 P HA 0.040 nan 4.420 nan 0.000 0.271 410 P C -1.015 176.093 177.300 -0.319 0.000 1.218 410 P CA 0.063 63.056 63.100 -0.179 0.000 0.780 410 P CB 0.544 32.164 31.700 -0.133 0.000 0.901 411 Y N 0.325 120.485 120.300 -0.232 0.000 2.326 411 Y HA 0.116 4.666 4.550 -0.000 0.000 0.333 411 Y C 1.676 177.372 175.900 -0.341 0.000 1.240 411 Y CA -0.273 57.574 58.100 -0.422 0.000 1.365 411 Y CB 0.695 39.029 38.460 -0.209 0.000 1.289 411 Y HN 0.365 nan 8.280 nan 0.000 0.548 412 S N 2.366 117.953 115.700 -0.189 0.000 2.585 412 S HA 0.611 5.081 4.470 -0.000 0.000 0.277 412 S C -0.414 174.112 174.600 -0.123 0.000 1.241 412 S CA -1.112 56.990 58.200 -0.163 0.000 1.041 412 S CB 1.539 64.634 63.200 -0.175 0.000 0.987 412 S HN 0.619 nan 8.310 nan 0.000 0.512 413 R N 0.339 120.763 120.500 -0.127 0.000 2.606 413 R HA 0.422 4.762 4.340 -0.000 0.000 0.249 413 R C -0.119 176.081 176.300 -0.166 0.000 1.127 413 R CA -0.937 55.091 56.100 -0.120 0.000 1.133 413 R CB 0.376 30.619 30.300 -0.096 0.000 1.243 413 R HN 0.628 nan 8.270 nan 0.000 0.558 414 E N 1.821 121.940 120.200 -0.134 0.000 2.398 414 E HA -0.045 4.305 4.350 -0.000 0.000 0.263 414 E C -0.322 176.161 176.600 -0.194 0.000 1.046 414 E CA 0.492 56.807 56.400 -0.141 0.000 0.908 414 E CB 0.245 29.898 29.700 -0.079 0.000 0.963 414 E HN 0.552 nan 8.360 nan 0.000 0.431 415 D N 0.852 121.091 120.400 -0.268 0.000 3.076 415 D HA -0.210 4.430 4.640 -0.000 0.000 0.218 415 D C -0.071 175.926 176.300 -0.504 0.000 1.156 415 D CA 1.061 54.907 54.000 -0.257 0.000 0.921 415 D CB -0.783 40.008 40.800 -0.015 0.000 1.113 415 D HN 0.536 nan 8.370 nan 0.000 0.418 416 E N -0.282 119.441 120.200 -0.795 0.000 2.191 416 E HA 0.515 4.865 4.350 -0.000 0.000 0.263 416 E C -0.937 175.186 176.600 -0.796 0.000 0.881 416 E CA -0.493 55.534 56.400 -0.621 0.000 0.757 416 E CB 1.031 30.558 29.700 -0.290 0.000 1.147 416 E HN -0.086 nan 8.360 nan 0.000 0.414 417 F N 3.397 123.381 119.950 0.057 0.000 2.546 417 F HA 0.578 5.105 4.527 -0.000 0.000 0.320 417 F C -0.556 175.400 175.800 0.261 0.000 1.076 417 F CA -0.990 57.073 58.000 0.105 0.000 0.928 417 F CB 1.496 40.502 39.000 0.010 0.000 1.189 417 F HN 0.375 nan 8.300 nan 0.000 0.465 418 F N 0.501 120.615 119.950 0.274 0.000 2.588 418 F HA 0.733 5.260 4.527 -0.000 0.000 0.310 418 F C -0.703 175.160 175.800 0.105 0.000 1.082 418 F CA -0.366 57.729 58.000 0.158 0.000 0.929 418 F CB 2.062 41.070 39.000 0.014 0.000 1.254 418 F HN 0.375 nan 8.300 nan 0.000 0.455 419 S N 2.221 117.623 115.700 -0.498 0.000 2.536 419 S HA 0.884 5.354 4.470 -0.000 0.000 0.271 419 S C -1.535 172.518 174.600 -0.912 0.000 1.134 419 S CA -0.617 57.262 58.200 -0.536 0.000 0.897 419 S CB 1.820 64.791 63.200 -0.382 0.000 1.094 419 S HN 0.866 nan 8.310 nan 0.000 0.473 420 A N 2.418 124.736 122.820 -0.837 0.000 2.381 420 A HA 0.891 5.211 4.320 -0.000 0.000 0.299 420 A C -1.435 175.646 177.584 -0.839 0.000 1.049 420 A CA -0.503 51.143 52.037 -0.651 0.000 0.715 420 A CB 0.580 19.473 19.000 -0.178 0.000 1.222 420 A HN 0.636 nan 8.150 nan 0.000 0.428 421 F N 0.919 120.614 119.950 -0.426 0.000 2.588 421 F HA 0.733 5.260 4.527 -0.000 0.000 0.314 421 F C 0.145 175.622 175.800 -0.538 0.000 1.069 421 F CA -0.690 56.931 58.000 -0.631 0.000 0.931 421 F CB 2.645 40.794 39.000 -1.419 0.000 1.260 421 F HN 0.561 nan 8.300 nan 0.000 0.465 422 K N 2.083 122.429 120.400 -0.089 0.000 2.535 422 K HA 0.505 4.825 4.320 -0.000 0.000 0.251 422 K C -1.944 174.733 176.600 0.128 0.000 0.942 422 K CA -0.697 55.624 56.287 0.057 0.000 0.798 422 K CB 2.204 34.745 32.500 0.069 0.000 1.267 422 K HN 0.615 nan 8.250 nan 0.000 0.434 423 Q N 2.728 122.670 119.800 0.236 0.000 2.323 423 Q HA 0.723 5.063 4.340 -0.000 0.000 0.271 423 Q C -1.859 174.180 176.000 0.065 0.000 1.048 423 Q CA -0.338 55.549 55.803 0.141 0.000 0.792 423 Q CB 2.214 31.061 28.738 0.181 0.000 1.280 423 Q HN 0.768 nan 8.270 nan 0.000 0.441 424 A N 1.755 124.596 122.820 0.034 0.000 3.827 424 A HA 0.711 5.031 4.320 -0.000 0.000 0.199 424 A C 0.116 177.747 177.584 0.078 0.000 0.867 424 A CA 0.170 52.234 52.037 0.044 0.000 0.776 424 A CB 0.429 19.425 19.000 -0.008 0.000 1.446 424 A HN 0.642 nan 8.150 nan 0.000 0.768 425 S N -0.931 114.790 115.700 0.036 0.000 2.483 425 S HA 0.242 4.712 4.470 -0.000 0.000 0.221 425 S C 0.787 175.366 174.600 -0.034 0.000 1.030 425 S CA 0.315 58.528 58.200 0.022 0.000 0.925 425 S CB 0.064 63.273 63.200 0.016 0.000 0.795 425 S HN 0.544 nan 8.310 nan 0.000 0.511 426 R N 0.499 120.960 120.500 -0.065 0.000 2.651 426 R HA 0.404 4.744 4.340 -0.000 0.000 0.278 426 R C 0.434 176.644 176.300 -0.150 0.000 1.010 426 R CA -0.642 55.394 56.100 -0.108 0.000 0.896 426 R CB 0.980 31.219 30.300 -0.102 0.000 1.211 426 R HN -0.037 nan 8.270 nan 0.000 0.456 427 R N 1.073 121.425 120.500 -0.247 0.000 2.080 427 R HA -0.118 4.222 4.340 -0.000 0.000 0.236 427 R C -0.176 176.051 176.300 -0.122 0.000 1.137 427 R CA 1.595 57.445 56.100 -0.416 0.000 0.943 427 R CB -0.076 29.802 30.300 -0.704 0.000 0.846 427 R HN 0.550 nan 8.270 nan 0.000 0.431 428 E N 0.838 121.045 120.200 0.012 0.000 2.301 428 E HA 0.021 4.371 4.350 -0.000 0.000 0.275 428 E C -0.576 176.077 176.600 0.089 0.000 1.030 428 E CA -0.268 56.220 56.400 0.147 0.000 0.852 428 E CB 0.676 30.458 29.700 0.137 0.000 1.060 428 E HN 0.024 nan 8.360 nan 0.000 0.401 429 D N 1.798 122.270 120.400 0.120 0.000 2.886 429 D HA -0.225 4.414 4.640 -0.000 0.000 0.221 429 D C -1.237 175.079 176.300 0.027 0.000 1.227 429 D CA 0.952 54.997 54.000 0.076 0.000 0.746 429 D CB -0.580 40.273 40.800 0.089 0.000 0.935 429 D HN 0.377 nan 8.370 nan 0.000 0.399 430 D N 0.210 120.613 120.400 0.006 0.000 2.552 430 D HA 0.472 5.112 4.640 -0.000 0.000 0.239 430 D C -0.170 176.104 176.300 -0.044 0.000 1.139 430 D CA -0.689 53.299 54.000 -0.020 0.000 0.914 430 D CB 1.151 41.935 40.800 -0.025 0.000 1.461 430 D HN 0.166 nan 8.370 nan 0.000 0.462 431 I N 1.497 122.044 120.570 -0.038 0.000 2.395 431 I HA 0.401 4.571 4.170 -0.000 0.000 0.289 431 I C 0.760 176.860 176.117 -0.029 0.000 1.023 431 I CA -0.753 60.517 61.300 -0.051 0.000 1.350 431 I CB 1.330 39.310 38.000 -0.033 0.000 1.409 431 I HN 0.403 nan 8.210 nan 0.000 0.507 432 A N 6.808 129.607 122.820 -0.036 0.000 2.498 432 A HA 0.129 4.449 4.320 -0.000 0.000 0.239 432 A C 1.081 178.667 177.584 0.003 0.000 1.068 432 A CA -0.052 51.983 52.037 -0.004 0.000 0.766 432 A CB 0.387 19.390 19.000 0.004 0.000 1.003 432 A HN 0.737 nan 8.150 nan 0.000 0.497 433 K N 0.674 121.079 120.400 0.008 0.000 2.099 433 K HA 0.207 4.527 4.320 -0.000 0.000 0.203 433 K C -0.093 176.474 176.600 -0.054 0.000 1.047 433 K CA 1.093 57.365 56.287 -0.024 0.000 0.963 433 K CB 0.145 32.625 32.500 -0.033 0.000 0.759 433 K HN 0.520 nan 8.250 nan 0.000 0.451 434 V N 0.421 120.325 119.914 -0.017 0.000 2.777 434 V HA 0.279 4.399 4.120 -0.000 0.000 0.306 434 V C -0.707 175.558 176.094 0.285 0.000 1.112 434 V CA -0.837 61.508 62.300 0.076 0.000 0.917 434 V CB 2.124 33.911 31.823 -0.060 0.000 1.018 434 V HN 0.134 nan 8.190 nan 0.000 0.426 435 T N 3.379 118.091 114.554 0.264 0.000 2.909 435 T HA 0.794 5.144 4.350 -0.000 0.000 0.299 435 T C -0.865 173.909 174.700 0.124 0.000 1.073 435 T CA -0.105 62.103 62.100 0.181 0.000 0.999 435 T CB 1.335 70.241 68.868 0.063 0.000 1.098 435 T HN 1.329 nan 8.240 nan 0.000 0.477 436 C N 1.082 120.345 119.300 -0.061 0.000 3.318 436 C HA 1.032 5.492 4.460 -0.000 0.000 0.322 436 C C 0.007 174.796 174.990 -0.336 0.000 1.398 436 C CA -0.519 58.355 59.018 -0.241 0.000 1.339 436 C CB 0.925 28.414 27.740 -0.418 0.000 1.668 436 C HN 1.186 nan 8.230 nan 0.000 0.462 437 G N 1.134 109.691 108.800 -0.405 0.000 2.643 437 G HA2 0.715 4.675 3.960 -0.000 0.000 0.305 437 G HA3 0.715 4.675 3.960 -0.000 0.000 0.305 437 G C -1.284 173.192 174.900 -0.707 0.000 1.387 437 G CA -0.617 44.211 45.100 -0.453 0.000 0.982 437 G HN 0.865 nan 8.290 nan 0.000 0.501 438 M N 1.991 120.867 119.600 -1.206 0.000 2.326 438 M HA 0.520 5.000 4.480 -0.000 0.000 0.292 438 M C -0.453 175.107 176.300 -1.234 0.000 1.081 438 M CA -0.726 53.857 55.300 -1.194 0.000 0.919 438 M CB 3.368 35.005 32.600 -1.604 0.000 1.634 438 M HN 0.528 nan 8.290 nan 0.000 0.451 439 R N 1.955 122.157 120.500 -0.496 0.000 2.673 439 R HA 0.863 5.202 4.340 -0.000 0.000 0.281 439 R C -2.218 174.181 176.300 0.164 0.000 0.991 439 R CA -0.672 55.419 56.100 -0.014 0.000 0.896 439 R CB 2.635 33.056 30.300 0.201 0.000 1.201 439 R HN 0.622 nan 8.270 nan 0.000 0.457 440 V N 5.558 125.577 119.914 0.175 0.000 2.760 440 V HA 0.575 4.695 4.120 -0.000 0.000 0.309 440 V C -1.813 174.083 176.094 -0.328 0.000 1.077 440 V CA -0.851 61.381 62.300 -0.113 0.000 0.910 440 V CB 1.927 33.528 31.823 -0.370 0.000 1.008 440 V HN 0.714 nan 8.190 nan 0.000 0.424 441 L N 7.183 128.170 121.223 -0.394 0.000 2.343 441 L HA 0.723 5.063 4.340 -0.000 0.000 0.278 441 L C -1.231 175.404 176.870 -0.391 0.000 0.996 441 L CA 0.111 54.758 54.840 -0.322 0.000 0.831 441 L CB 1.326 43.292 42.059 -0.155 0.000 1.232 441 L HN 0.565 nan 8.230 nan 0.000 0.413 442 F N 2.193 122.083 119.950 -0.100 0.000 2.408 442 F HA 0.526 5.053 4.527 -0.000 0.000 0.325 442 F C 0.763 176.524 175.800 -0.065 0.000 1.082 442 F CA -0.590 57.368 58.000 -0.070 0.000 1.032 442 F CB 0.769 39.736 39.000 -0.055 0.000 1.259 442 F HN 0.393 nan 8.300 nan 0.000 0.503 443 Q N 1.354 121.249 119.800 0.158 0.000 2.421 443 Q HA 0.150 4.490 4.340 -0.000 0.000 0.255 443 Q C -2.302 173.745 176.000 0.077 0.000 1.013 443 Q CA -1.736 54.110 55.803 0.072 0.000 0.895 443 Q CB 0.078 28.842 28.738 0.043 0.000 1.271 443 Q HN 0.176 nan 8.270 nan 0.000 0.460 444 P HA -0.111 nan 4.420 nan 0.000 0.257 444 P C 0.455 177.775 177.300 0.034 0.000 1.162 444 P CA 1.436 64.553 63.100 0.029 0.000 0.762 444 P CB -0.007 31.704 31.700 0.018 0.000 0.753 445 G N 2.345 111.160 108.800 0.026 0.000 2.200 445 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.267 445 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.267 445 G C 0.428 175.334 174.900 0.009 0.000 0.993 445 G CA 0.612 45.721 45.100 0.015 0.000 0.701 445 G HN 0.769 nan 8.290 nan 0.000 0.524 446 S N -1.742 113.968 115.700 0.017 0.000 2.786 446 S HA 0.810 5.280 4.470 -0.000 0.000 0.307 446 S C 0.857 175.373 174.600 -0.139 0.000 1.121 446 S CA -0.387 57.824 58.200 0.019 0.000 0.975 446 S CB 1.580 64.830 63.200 0.084 0.000 1.220 446 S HN 0.166 nan 8.310 nan 0.000 0.550 447 M N 0.307 119.875 119.600 -0.055 0.000 2.496 447 M HA 0.286 4.766 4.480 -0.000 0.000 0.330 447 M C 0.199 176.579 176.300 0.134 0.000 1.133 447 M CA -0.008 55.164 55.300 -0.214 0.000 0.964 447 M CB 0.478 33.121 32.600 0.071 0.000 1.401 447 M HN 0.725 nan 8.290 nan 0.000 0.520 448 Q N 2.063 121.865 119.800 0.003 0.000 2.322 448 Q HA 0.326 4.665 4.340 -0.000 0.000 0.256 448 Q C -0.733 175.337 176.000 0.118 0.000 0.960 448 Q CA -0.381 55.209 55.803 -0.354 0.000 0.934 448 Q CB 1.327 29.619 28.738 -0.745 0.000 1.200 448 Q HN 0.095 nan 8.270 nan 0.000 0.435 449 V N 5.444 125.437 119.914 0.133 0.000 2.540 449 V HA -0.085 4.035 4.120 -0.000 0.000 0.297 449 V C 1.075 177.155 176.094 -0.023 0.000 1.024 449 V CA 0.779 63.103 62.300 0.040 0.000 1.105 449 V CB 0.841 32.746 31.823 0.136 0.000 0.938 449 V HN 0.890 nan 8.190 nan 0.000 0.482 450 K N 3.429 123.786 120.400 -0.071 0.000 2.286 450 K HA 0.235 4.555 4.320 -0.000 0.000 0.203 450 K C 0.340 176.918 176.600 -0.037 0.000 1.078 450 K CA 0.357 56.620 56.287 -0.040 0.000 0.957 450 K CB 0.580 33.058 32.500 -0.037 0.000 1.018 450 K HN 0.827 nan 8.250 nan 0.000 0.484 451 E N 0.634 120.793 120.200 -0.068 0.000 2.314 451 E HA 0.347 4.697 4.350 -0.000 0.000 0.272 451 E C -1.862 174.725 176.600 -0.022 0.000 0.884 451 E CA -0.841 55.541 56.400 -0.030 0.000 0.753 451 E CB 2.506 32.190 29.700 -0.027 0.000 1.213 451 E HN -0.031 nan 8.360 nan 0.000 0.432 452 L N 1.561 122.808 121.223 0.041 0.000 2.470 452 L HA 0.738 5.078 4.340 -0.000 0.000 0.268 452 L C -1.911 175.014 176.870 0.092 0.000 0.964 452 L CA -0.334 54.571 54.840 0.109 0.000 0.839 452 L CB 1.883 44.056 42.059 0.189 0.000 1.276 452 L HN 0.679 nan 8.230 nan 0.000 0.403 453 A N 6.060 128.928 122.820 0.080 0.000 2.375 453 A HA 0.799 5.118 4.320 -0.000 0.000 0.295 453 A C -1.681 175.877 177.584 -0.043 0.000 1.066 453 A CA -0.369 51.688 52.037 0.033 0.000 0.722 453 A CB 0.996 20.020 19.000 0.040 0.000 1.206 453 A HN 0.634 nan 8.150 nan 0.000 0.435 454 L N 2.423 123.628 121.223 -0.030 0.000 2.353 454 L HA 0.405 4.745 4.340 -0.000 0.000 0.270 454 L C -0.996 175.794 176.870 -0.135 0.000 1.003 454 L CA -0.418 54.344 54.840 -0.131 0.000 0.862 454 L CB 1.320 43.406 42.059 0.045 0.000 1.221 454 L HN 0.679 nan 8.230 nan 0.000 0.430 455 C N 2.454 121.589 119.300 -0.276 0.000 2.322 455 C HA 0.669 5.129 4.460 -0.000 0.000 0.324 455 C C -0.298 174.530 174.990 -0.269 0.000 1.284 455 C CA -0.851 58.090 59.018 -0.127 0.000 1.606 455 C CB 0.382 28.109 27.740 -0.023 0.000 2.251 455 C HN 0.501 nan 8.230 nan 0.000 0.502 456 Y N 0.685 120.995 120.300 0.016 0.000 2.524 456 Y HA 0.691 5.241 4.550 -0.000 0.000 0.344 456 Y C 0.689 176.587 175.900 -0.004 0.000 1.012 456 Y CA -0.297 57.815 58.100 0.020 0.000 1.068 456 Y CB 1.632 40.111 38.460 0.032 0.000 1.249 456 Y HN 0.821 nan 8.280 nan 0.000 0.468 457 G N -0.699 108.202 108.800 0.168 0.000 2.453 457 G HA2 0.475 4.435 3.960 -0.000 0.000 0.323 457 G HA3 0.475 4.435 3.960 -0.000 0.000 0.323 457 G C 0.429 175.374 174.900 0.075 0.000 1.198 457 G CA -0.551 44.588 45.100 0.066 0.000 0.959 457 G HN 1.262 nan 8.290 nan 0.000 0.482 458 G N 0.425 109.242 108.800 0.028 0.000 2.143 458 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.249 458 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.249 458 G C 0.831 175.720 174.900 -0.019 0.000 0.981 458 G CA 0.746 45.849 45.100 0.005 0.000 0.665 458 G HN 0.557 nan 8.290 nan 0.000 0.528 459 M N -0.501 119.091 119.600 -0.013 0.000 2.347 459 M HA 0.641 5.120 4.480 -0.000 0.000 0.324 459 M C 0.711 176.990 176.300 -0.035 0.000 1.028 459 M CA 0.744 56.012 55.300 -0.054 0.000 0.988 459 M CB 0.325 32.861 32.600 -0.106 0.000 1.528 459 M HN 1.166 nan 8.290 nan 0.000 0.550 460 A N 0.558 123.374 122.820 -0.007 0.000 2.511 460 A HA 0.491 4.811 4.320 -0.000 0.000 0.293 460 A C -0.645 176.957 177.584 0.030 0.000 1.098 460 A CA -0.390 51.651 52.037 0.006 0.000 0.643 460 A CB 0.247 19.259 19.000 0.021 0.000 1.302 460 A HN 0.253 nan 8.150 nan 0.000 0.446 461 D N -0.117 120.313 120.400 0.049 0.000 2.332 461 D HA 0.167 4.807 4.640 -0.000 0.000 0.244 461 D C 0.418 176.840 176.300 0.203 0.000 1.136 461 D CA 0.455 54.529 54.000 0.124 0.000 0.884 461 D CB -0.420 40.416 40.800 0.060 0.000 0.906 461 D HN 0.739 nan 8.370 nan 0.000 0.520 462 R N -3.367 117.188 120.500 0.092 0.000 2.741 462 R HA 0.397 4.737 4.340 -0.000 0.000 0.276 462 R C -1.281 174.995 176.300 -0.040 0.000 1.028 462 R CA -0.921 55.191 56.100 0.020 0.000 0.865 462 R CB -0.261 30.087 30.300 0.079 0.000 1.268 462 R HN -0.227 nan 8.270 nan 0.000 0.475 463 T N 2.515 116.952 114.554 -0.195 0.000 2.853 463 T HA 0.366 4.716 4.350 -0.000 0.000 0.298 463 T C 0.446 175.164 174.700 0.031 0.000 0.978 463 T CA -0.084 61.929 62.100 -0.146 0.000 1.152 463 T CB -0.201 68.447 68.868 -0.367 0.000 0.914 463 T HN 0.424 nan 8.240 nan 0.000 0.539 464 I N -0.547 120.080 120.570 0.095 0.000 3.002 464 I HA 0.839 5.009 4.170 -0.000 0.000 0.310 464 I C -0.285 175.934 176.117 0.170 0.000 1.087 464 I CA -1.055 60.333 61.300 0.146 0.000 1.017 464 I CB 2.418 40.486 38.000 0.114 0.000 1.226 464 I HN 0.454 nan 8.210 nan 0.000 0.443 465 S N 2.249 118.043 115.700 0.156 0.000 2.473 465 S HA 0.718 5.188 4.470 -0.000 0.000 0.307 465 S C 0.045 174.697 174.600 0.087 0.000 1.094 465 S CA -0.490 57.785 58.200 0.125 0.000 1.070 465 S CB 1.535 64.798 63.200 0.105 0.000 1.019 465 S HN 0.919 nan 8.310 nan 0.000 0.480 466 A N 6.032 128.922 122.820 0.116 0.000 3.077 466 A HA 0.330 4.650 4.320 -0.000 0.000 0.255 466 A C 1.257 178.848 177.584 0.012 0.000 1.728 466 A CA -0.273 51.804 52.037 0.067 0.000 1.383 466 A CB -0.966 18.100 19.000 0.109 0.000 1.097 466 A HN 0.944 nan 8.150 nan 0.000 0.634 467 L N -0.294 120.913 121.223 -0.028 0.000 2.042 467 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 467 L C 2.333 179.177 176.870 -0.043 0.000 1.076 467 L CA 1.170 55.973 54.840 -0.061 0.000 0.749 467 L CB -0.360 41.604 42.059 -0.159 0.000 0.893 467 L HN 0.417 nan 8.230 nan 0.000 0.432 468 K N -0.290 120.086 120.400 -0.040 0.000 2.032 468 K HA -0.143 4.177 4.320 -0.000 0.000 0.209 468 K C 2.098 178.681 176.600 -0.028 0.000 1.048 468 K CA 1.927 58.195 56.287 -0.031 0.000 0.927 468 K CB -0.906 31.576 32.500 -0.029 0.000 0.712 468 K HN 0.327 nan 8.250 nan 0.000 0.441 469 T N 1.073 115.606 114.554 -0.035 0.000 2.701 469 T HA -0.118 4.232 4.350 -0.000 0.000 0.263 469 T C 2.106 176.783 174.700 -0.038 0.000 1.040 469 T CA 2.255 64.325 62.100 -0.050 0.000 1.147 469 T CB -0.489 68.332 68.868 -0.078 0.000 0.865 469 T HN 0.543 nan 8.240 nan 0.000 0.426 470 T N 0.843 115.386 114.554 -0.018 0.000 2.821 470 T HA -0.112 4.238 4.350 -0.000 0.000 0.267 470 T C 1.972 176.687 174.700 0.026 0.000 1.046 470 T CA 0.718 62.828 62.100 0.016 0.000 1.139 470 T CB -0.355 68.538 68.868 0.042 0.000 0.871 470 T HN 0.120 nan 8.240 nan 0.000 0.454 471 Q N 1.490 121.295 119.800 0.010 0.000 2.135 471 Q HA -0.042 4.298 4.340 -0.000 0.000 0.204 471 Q C 2.194 178.206 176.000 0.020 0.000 0.981 471 Q CA 1.380 57.191 55.803 0.013 0.000 0.856 471 Q CB -0.313 28.426 28.738 0.000 0.000 0.902 471 Q HN 0.654 nan 8.270 nan 0.000 0.425 472 K N 0.212 120.620 120.400 0.013 0.000 2.515 472 K HA -0.076 4.244 4.320 -0.000 0.000 0.196 472 K C 1.535 178.156 176.600 0.035 0.000 1.038 472 K CA 0.516 56.813 56.287 0.018 0.000 0.967 472 K CB 0.274 32.776 32.500 0.004 0.000 0.780 472 K HN 0.114 nan 8.250 nan 0.000 0.483 473 Q N 0.223 120.051 119.800 0.048 0.000 2.282 473 Q HA 0.164 4.504 4.340 -0.000 0.000 0.206 473 Q C 0.292 176.347 176.000 0.092 0.000 0.878 473 Q CA 0.100 55.952 55.803 0.081 0.000 0.944 473 Q CB 0.403 29.205 28.738 0.106 0.000 1.100 473 Q HN 0.303 nan 8.270 nan 0.000 0.509 474 L N 1.083 122.344 121.223 0.064 0.000 2.540 474 L HA -0.045 4.295 4.340 -0.000 0.000 0.276 474 L C 0.862 177.756 176.870 0.040 0.000 1.212 474 L CA 0.281 55.150 54.840 0.048 0.000 0.893 474 L CB 0.144 42.223 42.059 0.034 0.000 1.138 474 L HN 0.184 nan 8.230 nan 0.000 0.491 475 S N -0.167 115.541 115.700 0.013 0.000 2.857 475 S HA -0.131 4.339 4.470 -0.000 0.000 0.268 475 S C 0.381 174.957 174.600 -0.040 0.000 1.297 475 S CA 1.039 59.224 58.200 -0.024 0.000 1.280 475 S CB -0.681 62.530 63.200 0.019 0.000 1.562 475 S HN 0.611 nan 8.310 nan 0.000 0.661 476 K N 0.212 120.633 120.400 0.034 0.000 2.090 476 K HA 0.646 4.966 4.320 -0.000 0.000 0.249 476 K C -0.063 176.596 176.600 0.098 0.000 0.995 476 K CA -0.219 56.152 56.287 0.139 0.000 0.914 476 K CB 0.278 32.885 32.500 0.179 0.000 1.057 476 K HN 0.122 nan 8.250 nan 0.000 0.462 477 F N -0.244 119.852 119.950 0.242 0.000 2.432 477 F HA 0.215 4.742 4.527 -0.000 0.000 0.329 477 F C 0.673 176.715 175.800 0.403 0.000 1.076 477 F CA -0.684 57.504 58.000 0.314 0.000 1.018 477 F CB 0.790 39.916 39.000 0.210 0.000 1.201 477 F HN 0.340 nan 8.300 nan 0.000 0.489 478 W N 5.933 127.487 121.300 0.422 0.000 2.666 478 W HA 0.109 4.768 4.660 -0.000 0.000 0.365 478 W C -0.810 175.926 176.519 0.363 0.000 1.224 478 W CA 0.042 57.626 57.345 0.398 0.000 1.515 478 W CB -0.163 29.473 29.460 0.292 0.000 1.562 478 W HN 0.735 nan 8.180 nan 0.000 0.455 479 N N 0.727 119.628 118.700 0.335 0.000 2.934 479 N HA 0.085 4.825 4.740 -0.000 0.000 0.253 479 N C 0.385 176.010 175.510 0.191 0.000 1.466 479 N CA -0.618 52.610 53.050 0.298 0.000 0.858 479 N CB 0.485 39.102 38.487 0.218 0.000 1.459 479 N HN 0.017 nan 8.380 nan 0.000 0.532 480 E N 0.201 120.500 120.200 0.165 0.000 2.130 480 E HA -0.258 4.092 4.350 -0.000 0.000 0.196 480 E C 1.326 177.902 176.600 -0.039 0.000 0.998 480 E CA 1.795 58.217 56.400 0.037 0.000 0.806 480 E CB -0.017 29.730 29.700 0.079 0.000 0.738 480 E HN 0.571 nan 8.360 nan 0.000 0.459 481 K N 0.216 120.622 120.400 0.011 0.000 2.097 481 K HA -0.075 4.245 4.320 -0.000 0.000 0.206 481 K C 2.191 178.778 176.600 -0.022 0.000 1.049 481 K CA 1.392 57.680 56.287 0.002 0.000 0.933 481 K CB -0.626 31.896 32.500 0.036 0.000 0.717 481 K HN 0.343 nan 8.250 nan 0.000 0.442 482 L N 0.103 121.313 121.223 -0.021 0.000 2.093 482 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 482 L C 2.078 178.873 176.870 -0.126 0.000 1.085 482 L CA 1.095 55.906 54.840 -0.048 0.000 0.755 482 L CB -0.374 41.668 42.059 -0.027 0.000 0.904 482 L HN 0.294 nan 8.230 nan 0.000 0.435 483 L N 0.011 121.069 121.223 -0.274 0.000 2.012 483 L HA -0.273 4.066 4.340 -0.000 0.000 0.210 483 L C 2.449 179.270 176.870 -0.083 0.000 1.073 483 L CA 1.934 56.597 54.840 -0.295 0.000 0.748 483 L CB -0.725 40.883 42.059 -0.751 0.000 0.891 483 L HN 0.382 nan 8.230 nan 0.000 0.431 484 Q N -0.699 119.042 119.800 -0.098 0.000 2.084 484 Q HA -0.201 4.139 4.340 -0.000 0.000 0.202 484 Q C 1.908 177.873 176.000 -0.058 0.000 0.978 484 Q CA 1.732 57.497 55.803 -0.064 0.000 0.844 484 Q CB -0.203 28.498 28.738 -0.061 0.000 0.898 484 Q HN 0.566 nan 8.270 nan 0.000 0.426 485 D N -0.061 120.303 120.400 -0.061 0.000 2.097 485 D HA -0.127 4.513 4.640 -0.000 0.000 0.195 485 D C 1.982 178.224 176.300 -0.098 0.000 0.989 485 D CA 0.939 54.903 54.000 -0.060 0.000 0.827 485 D CB -0.203 40.573 40.800 -0.040 0.000 0.966 485 D HN 0.034 nan 8.370 nan 0.000 0.456 486 V N 0.548 120.369 119.914 -0.155 0.000 2.343 486 V HA -0.261 3.859 4.120 -0.000 0.000 0.247 486 V C 2.680 178.626 176.094 -0.247 0.000 1.051 486 V CA 1.248 63.365 62.300 -0.305 0.000 1.036 486 V CB -0.477 30.919 31.823 -0.711 0.000 0.654 486 V HN 0.294 nan 8.190 nan 0.000 0.451 487 C N 0.176 119.405 119.300 -0.118 0.000 2.429 487 C HA -0.086 4.374 4.460 -0.000 0.000 0.277 487 C C 3.095 178.058 174.990 -0.045 0.000 1.262 487 C CA 0.822 59.828 59.018 -0.020 0.000 1.733 487 C CB -1.318 26.482 27.740 0.099 0.000 2.010 487 C HN 0.635 nan 8.230 nan 0.000 0.483 488 A N 0.722 123.510 122.820 -0.054 0.000 1.898 488 A HA 0.080 4.400 4.320 -0.000 0.000 0.216 488 A C 2.393 179.939 177.584 -0.062 0.000 1.181 488 A CA 2.058 54.063 52.037 -0.052 0.000 0.620 488 A CB -1.227 17.744 19.000 -0.048 0.000 0.819 488 A HN 0.546 nan 8.150 nan 0.000 0.442 489 G N -0.009 108.744 108.800 -0.079 0.000 2.421 489 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.216 489 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.216 489 G C 1.561 176.408 174.900 -0.088 0.000 1.171 489 G CA 1.065 46.117 45.100 -0.080 0.000 0.775 489 G HN 0.427 nan 8.290 nan 0.000 0.543 490 L N 0.756 121.912 121.223 -0.111 0.000 2.042 490 L HA -0.123 4.217 4.340 -0.000 0.000 0.210 490 L C 3.442 180.243 176.870 -0.115 0.000 1.076 490 L CA 1.114 55.881 54.840 -0.123 0.000 0.749 490 L CB -0.506 41.474 42.059 -0.132 0.000 0.893 490 L HN 0.319 nan 8.230 nan 0.000 0.432 491 A N -0.271 122.496 122.820 -0.088 0.000 1.940 491 A HA -0.273 4.047 4.320 -0.000 0.000 0.219 491 A C 2.295 179.838 177.584 -0.069 0.000 1.176 491 A CA 2.128 54.120 52.037 -0.075 0.000 0.631 491 A CB -0.456 18.513 19.000 -0.052 0.000 0.814 491 A HN 0.548 nan 8.150 nan 0.000 0.446 492 E N -0.762 119.401 120.200 -0.062 0.000 2.102 492 E HA -0.134 4.216 4.350 -0.000 0.000 0.190 492 E C 2.003 178.571 176.600 -0.054 0.000 0.971 492 E CA 0.887 57.256 56.400 -0.051 0.000 0.821 492 E CB -0.148 29.527 29.700 -0.042 0.000 0.777 492 E HN 0.728 nan 8.360 nan 0.000 0.460 493 E N 0.255 120.418 120.200 -0.063 0.000 2.076 493 E HA -0.056 4.294 4.350 -0.000 0.000 0.190 493 E C 0.746 177.303 176.600 -0.071 0.000 0.979 493 E CA 0.469 56.834 56.400 -0.058 0.000 0.807 493 E CB 0.189 29.856 29.700 -0.055 0.000 0.761 493 E HN 0.248 nan 8.360 nan 0.000 0.454 494 L N 2.769 123.927 121.223 -0.107 0.000 2.865 494 L HA 0.226 4.566 4.340 -0.000 0.000 0.233 494 L C 0.085 176.885 176.870 -0.117 0.000 1.320 494 L CA -0.696 54.063 54.840 -0.135 0.000 1.225 494 L CB 0.219 42.133 42.059 -0.241 0.000 1.542 494 L HN 0.061 nan 8.230 nan 0.000 0.432 495 S N 0.752 116.403 115.700 -0.081 0.000 2.592 495 S HA 0.651 5.121 4.470 -0.000 0.000 0.271 495 S C -0.339 174.223 174.600 -0.063 0.000 1.326 495 S CA -0.581 57.579 58.200 -0.067 0.000 1.024 495 S CB 1.736 64.907 63.200 -0.048 0.000 0.921 495 S HN 0.333 nan 8.310 nan 0.000 0.527 496 L N 2.317 123.506 121.223 -0.056 0.000 2.406 496 L HA 0.400 4.739 4.340 -0.000 0.000 0.272 496 L C 0.150 176.998 176.870 -0.038 0.000 0.980 496 L CA -0.731 54.078 54.840 -0.050 0.000 0.831 496 L CB 2.290 44.314 42.059 -0.058 0.000 1.253 496 L HN 0.964 nan 8.230 nan 0.000 0.406 497 S N 1.715 117.395 115.700 -0.033 0.000 2.572 497 S HA 0.213 4.683 4.470 -0.000 0.000 0.279 497 S C -1.909 172.677 174.600 -0.023 0.000 1.341 497 S CA -1.015 57.170 58.200 -0.025 0.000 1.043 497 S CB 0.832 64.018 63.200 -0.023 0.000 0.887 497 S HN 0.434 nan 8.310 nan 0.000 0.516 498 P HA -0.151 nan 4.420 nan 0.000 0.218 498 P C 0.693 177.985 177.300 -0.013 0.000 1.146 498 P CA 1.443 64.535 63.100 -0.013 0.000 0.820 498 P CB -0.090 31.605 31.700 -0.008 0.000 0.778 499 D N -1.661 118.730 120.400 -0.015 0.000 2.358 499 D HA 0.121 4.761 4.640 -0.000 0.000 0.224 499 D C 0.273 176.557 176.300 -0.026 0.000 1.123 499 D CA -0.387 53.605 54.000 -0.014 0.000 0.833 499 D CB -0.569 40.225 40.800 -0.009 0.000 0.946 499 D HN -0.025 nan 8.370 nan 0.000 0.505 500 A N 1.630 124.430 122.820 -0.033 0.000 2.546 500 A HA 0.304 4.624 4.320 -0.000 0.000 0.243 500 A C -2.148 175.401 177.584 -0.058 0.000 1.063 500 A CA -0.744 51.266 52.037 -0.045 0.000 0.757 500 A CB -0.321 18.651 19.000 -0.047 0.000 0.991 500 A HN 0.075 nan 8.150 nan 0.000 0.503 501 P HA 0.294 nan 4.420 nan 0.000 0.264 501 P C 1.102 178.338 177.300 -0.106 0.000 1.193 501 P CA 1.721 64.765 63.100 -0.092 0.000 0.763 501 P CB 0.722 32.369 31.700 -0.088 0.000 0.810 502 G N 2.038 110.745 108.800 -0.154 0.000 2.234 502 G HA2 -0.038 3.921 3.960 -0.000 0.000 0.235 502 G HA3 -0.038 3.921 3.960 -0.000 0.000 0.235 502 G C 0.717 175.525 174.900 -0.153 0.000 0.997 502 G CA 0.153 45.157 45.100 -0.159 0.000 0.623 502 G HN 0.984 nan 8.290 nan 0.000 0.514 503 G N 0.343 109.076 108.800 -0.111 0.000 2.574 503 G HA2 -0.049 3.910 3.960 -0.000 0.000 0.282 503 G HA3 -0.049 3.910 3.960 -0.000 0.000 0.282 503 G C 0.814 175.688 174.900 -0.043 0.000 1.257 503 G CA 1.025 46.078 45.100 -0.078 0.000 0.956 503 G HN 1.822 nan 8.290 nan 0.000 0.560 504 M N -0.846 118.747 119.600 -0.013 0.000 2.206 504 M HA -0.205 4.275 4.480 -0.000 0.000 0.197 504 M C 1.421 177.758 176.300 0.061 0.000 0.375 504 M CA 0.577 55.917 55.300 0.066 0.000 0.410 504 M CB -1.588 31.100 32.600 0.148 0.000 1.204 504 M HN 0.515 nan 8.290 nan 0.000 0.932 505 I N 0.240 120.822 120.570 0.020 0.000 2.099 505 I HA -0.236 3.934 4.170 -0.000 0.000 0.239 505 I C 2.170 178.290 176.117 0.005 0.000 1.066 505 I CA 2.252 63.550 61.300 -0.004 0.000 1.324 505 I CB -0.945 37.049 38.000 -0.010 0.000 1.037 505 I HN 0.420 nan 8.210 nan 0.000 0.401 506 E N 0.781 121.003 120.200 0.036 0.000 2.058 506 E HA -0.237 4.112 4.350 -0.000 0.000 0.194 506 E C 2.035 178.687 176.600 0.086 0.000 0.997 506 E CA 1.166 57.593 56.400 0.045 0.000 0.801 506 E CB -0.706 29.027 29.700 0.055 0.000 0.746 506 E HN 0.376 nan 8.360 nan 0.000 0.450 507 F N 1.744 121.659 119.950 -0.059 0.000 2.069 507 F HA -0.185 4.342 4.527 -0.000 0.000 0.298 507 F C 2.022 177.753 175.800 -0.115 0.000 1.113 507 F CA 1.683 59.637 58.000 -0.076 0.000 1.214 507 F CB -0.267 38.698 39.000 -0.058 0.000 0.978 507 F HN -0.139 nan 8.300 nan 0.000 0.474 508 R N -0.109 120.259 120.500 -0.220 0.000 2.081 508 R HA -0.150 4.190 4.340 -0.000 0.000 0.235 508 R C 2.375 178.487 176.300 -0.314 0.000 1.131 508 R CA 1.773 57.653 56.100 -0.367 0.000 0.960 508 R CB -0.406 29.765 30.300 -0.214 0.000 0.856 508 R HN 0.295 nan 8.270 nan 0.000 0.436 509 R N -0.454 119.928 120.500 -0.198 0.000 2.096 509 R HA -0.063 4.277 4.340 -0.000 0.000 0.235 509 R C 2.271 178.456 176.300 -0.191 0.000 1.127 509 R CA 1.684 57.673 56.100 -0.185 0.000 0.968 509 R CB -0.315 29.916 30.300 -0.115 0.000 0.861 509 R HN 0.176 nan 8.270 nan 0.000 0.440 510 T N 1.387 115.846 114.554 -0.158 0.000 2.746 510 T HA -0.067 4.283 4.350 -0.000 0.000 0.267 510 T C 1.786 176.314 174.700 -0.287 0.000 1.039 510 T CA 0.955 62.974 62.100 -0.135 0.000 1.142 510 T CB -0.078 68.774 68.868 -0.025 0.000 0.866 510 T HN 0.128 nan 8.240 nan 0.000 0.444 511 L N 1.249 122.191 121.223 -0.469 0.000 2.083 511 L HA -0.120 4.219 4.340 -0.000 0.000 0.209 511 L C 3.096 179.543 176.870 -0.704 0.000 1.083 511 L CA 1.639 56.013 54.840 -0.778 0.000 0.752 511 L CB -1.099 40.341 42.059 -1.031 0.000 0.899 511 L HN 0.466 nan 8.230 nan 0.000 0.433 512 T N -2.083 112.217 114.554 -0.425 0.000 2.788 512 T HA -0.180 4.170 4.350 -0.000 0.000 0.268 512 T C 1.753 176.434 174.700 -0.032 0.000 1.044 512 T CA 1.074 63.031 62.100 -0.238 0.000 1.139 512 T CB -0.317 68.236 68.868 -0.526 0.000 0.867 512 T HN 0.082 nan 8.240 nan 0.000 0.454 513 L N 1.239 122.388 121.223 -0.123 0.000 2.131 513 L HA 0.183 4.523 4.340 -0.000 0.000 0.206 513 L C 3.083 179.829 176.870 -0.207 0.000 1.087 513 L CA 1.243 56.055 54.840 -0.047 0.000 0.767 513 L CB -0.764 41.288 42.059 -0.012 0.000 0.917 513 L HN 0.247 nan 8.230 nan 0.000 0.441 514 S N -0.857 114.603 115.700 -0.401 0.000 2.382 514 S HA -0.110 4.360 4.470 -0.000 0.000 0.228 514 S C 1.982 176.462 174.600 -0.200 0.000 1.027 514 S CA 1.186 59.073 58.200 -0.522 0.000 0.991 514 S CB -0.441 62.478 63.200 -0.468 0.000 0.823 514 S HN 0.315 nan 8.310 nan 0.000 0.469 515 F N 0.095 119.941 119.950 -0.174 0.000 2.134 515 F HA -0.116 4.410 4.527 -0.000 0.000 0.299 515 F C 2.178 178.006 175.800 0.047 0.000 1.097 515 F CA 0.755 58.651 58.000 -0.174 0.000 1.264 515 F CB -0.264 38.790 39.000 0.089 0.000 1.001 515 F HN 0.203 nan 8.300 nan 0.000 0.479 516 F N 0.369 120.494 119.950 0.291 0.000 2.134 516 F HA -0.262 4.264 4.527 -0.000 0.000 0.299 516 F C 2.142 178.144 175.800 0.337 0.000 1.097 516 F CA 1.111 59.321 58.000 0.350 0.000 1.264 516 F CB -0.819 38.352 39.000 0.285 0.000 1.001 516 F HN -0.054 nan 8.300 nan 0.000 0.479 517 F N 1.567 121.431 119.950 -0.142 0.000 2.095 517 F HA -0.189 4.338 4.527 -0.000 0.000 0.298 517 F C 2.222 177.905 175.800 -0.195 0.000 1.104 517 F CA 1.985 59.825 58.000 -0.267 0.000 1.232 517 F CB -0.770 37.830 39.000 -0.666 0.000 0.987 517 F HN -0.098 nan 8.300 nan 0.000 0.475 518 K N -0.977 119.252 120.400 -0.286 0.000 2.057 518 K HA -0.210 4.110 4.320 -0.000 0.000 0.207 518 K C 2.095 178.684 176.600 -0.018 0.000 1.049 518 K CA 1.733 57.824 56.287 -0.326 0.000 0.931 518 K CB -0.671 31.520 32.500 -0.515 0.000 0.714 518 K HN 0.314 nan 8.250 nan 0.000 0.440 519 F N 0.838 120.780 119.950 -0.014 0.000 2.113 519 F HA -0.232 4.295 4.527 -0.000 0.000 0.297 519 F C 2.195 178.002 175.800 0.012 0.000 1.103 519 F CA 1.083 59.131 58.000 0.080 0.000 1.248 519 F CB -0.682 38.370 39.000 0.085 0.000 0.999 519 F HN 0.030 nan 8.300 nan 0.000 0.475 520 Y N 0.861 120.952 120.300 -0.348 0.000 2.081 520 Y HA -0.272 4.277 4.550 -0.000 0.000 0.280 520 Y C 2.170 178.037 175.900 -0.055 0.000 1.163 520 Y CA 2.347 60.307 58.100 -0.233 0.000 1.135 520 Y CB -0.799 37.401 38.460 -0.432 0.000 0.970 520 Y HN 0.121 nan 8.280 nan 0.000 0.498 521 L N -1.012 120.042 121.223 -0.280 0.000 2.046 521 L HA -0.244 4.096 4.340 -0.000 0.000 0.208 521 L C 2.339 179.059 176.870 -0.251 0.000 1.077 521 L CA 1.850 56.504 54.840 -0.310 0.000 0.747 521 L CB -1.043 40.805 42.059 -0.352 0.000 0.896 521 L HN 0.221 nan 8.230 nan 0.000 0.432 522 T N -0.522 113.913 114.554 -0.199 0.000 2.746 522 T HA -0.151 4.199 4.350 -0.000 0.000 0.267 522 T C 1.995 176.512 174.700 -0.306 0.000 1.039 522 T CA 1.286 63.291 62.100 -0.159 0.000 1.142 522 T CB -0.185 68.680 68.868 -0.005 0.000 0.866 522 T HN 0.068 nan 8.240 nan 0.000 0.444 523 V N 1.307 120.960 119.914 -0.434 0.000 2.427 523 V HA -0.064 4.056 4.120 -0.000 0.000 0.248 523 V C 2.458 178.193 176.094 -0.599 0.000 1.051 523 V CA 1.222 63.127 62.300 -0.659 0.000 1.048 523 V CB -0.616 30.666 31.823 -0.901 0.000 0.666 523 V HN 0.441 nan 8.190 nan 0.000 0.456 524 L N -0.114 120.870 121.223 -0.398 0.000 2.042 524 L HA -0.242 4.098 4.340 -0.000 0.000 0.210 524 L C 2.607 179.301 176.870 -0.293 0.000 1.076 524 L CA 2.026 56.684 54.840 -0.305 0.000 0.749 524 L CB -0.582 41.323 42.059 -0.257 0.000 0.893 524 L HN 0.327 nan 8.230 nan 0.000 0.432 525 K N 0.600 120.839 120.400 -0.269 0.000 2.026 525 K HA -0.212 4.108 4.320 -0.000 0.000 0.208 525 K C 2.114 178.551 176.600 -0.272 0.000 1.048 525 K CA 1.512 57.672 56.287 -0.211 0.000 0.929 525 K CB 0.071 32.479 32.500 -0.154 0.000 0.713 525 K HN 0.195 nan 8.250 nan 0.000 0.439 526 K N 0.445 120.588 120.400 -0.427 0.000 2.148 526 K HA -0.065 4.255 4.320 -0.000 0.000 0.204 526 K C 2.024 178.276 176.600 -0.580 0.000 1.050 526 K CA 0.934 56.884 56.287 -0.561 0.000 0.942 526 K CB -0.024 31.890 32.500 -0.976 0.000 0.724 526 K HN 0.160 nan 8.250 nan 0.000 0.446 527 L N 0.633 121.488 121.223 -0.613 0.000 2.362 527 L HA -0.065 4.275 4.340 -0.000 0.000 0.219 527 L C 1.401 178.136 176.870 -0.226 0.000 1.134 527 L CA 0.196 54.789 54.840 -0.411 0.000 0.807 527 L CB -0.405 41.382 42.059 -0.453 0.000 0.927 527 L HN 0.183 nan 8.230 nan 0.000 0.447 538 L N 3.601 124.806 121.223 -0.029 0.000 2.416 538 L HA 0.201 4.541 4.340 -0.000 0.000 0.272 538 L C -0.147 176.717 176.870 -0.011 0.000 1.161 538 L CA 0.334 55.163 54.840 -0.019 0.000 0.845 538 L CB 0.849 42.905 42.059 -0.005 0.000 1.119 538 L HN 0.126 nan 8.230 nan 0.000 0.464 539 D N 6.155 126.526 120.400 -0.049 0.000 2.533 539 D HA -0.036 4.604 4.640 -0.000 0.000 0.236 539 D C -1.739 174.589 176.300 0.047 0.000 1.137 539 D CA -0.898 53.067 54.000 -0.058 0.000 0.867 539 D CB 1.556 42.216 40.800 -0.233 0.000 1.170 539 D HN 0.433 nan 8.370 nan 0.000 0.474 540 P HA -0.150 nan 4.420 nan 0.000 0.216 540 P C 1.184 178.536 177.300 0.087 0.000 1.150 540 P CA 1.791 64.920 63.100 0.048 0.000 0.843 540 P CB -0.010 31.699 31.700 0.014 0.000 0.787 541 T N -5.687 108.942 114.554 0.124 0.000 3.160 541 T HA -0.080 4.270 4.350 -0.000 0.000 0.257 541 T C 1.143 176.059 174.700 0.360 0.000 1.147 541 T CA 0.801 62.995 62.100 0.156 0.000 1.064 541 T CB -0.809 68.133 68.868 0.123 0.000 0.949 541 T HN 0.023 nan 8.240 nan 0.000 0.526 542 Y N 0.915 121.303 120.300 0.145 0.000 2.462 542 Y HA 0.311 4.861 4.550 -0.000 0.000 0.253 542 Y C 2.641 178.648 175.900 0.177 0.000 1.095 542 Y CA -0.701 57.575 58.100 0.294 0.000 1.283 542 Y CB -0.320 38.320 38.460 0.300 0.000 1.138 542 Y HN 0.190 nan 8.280 nan 0.000 0.522 543 T N -0.017 114.680 114.554 0.239 0.000 2.624 543 T HA -0.262 4.088 4.350 -0.000 0.000 0.268 543 T C 2.173 176.935 174.700 0.104 0.000 1.041 543 T CA 2.290 64.466 62.100 0.126 0.000 1.159 543 T CB -0.574 68.342 68.868 0.080 0.000 0.863 543 T HN 0.517 nan 8.240 nan 0.000 0.434 544 S N 2.035 117.801 115.700 0.111 0.000 2.419 544 S HA -0.056 4.414 4.470 -0.000 0.000 0.235 544 S C 2.311 176.981 174.600 0.116 0.000 1.019 544 S CA 1.007 59.273 58.200 0.110 0.000 0.982 544 S CB -0.629 62.638 63.200 0.111 0.000 0.789 544 S HN 0.548 nan 8.310 nan 0.000 0.490 545 A N 1.810 124.703 122.820 0.121 0.000 2.125 545 A HA -0.017 4.303 4.320 -0.000 0.000 0.219 545 A C 2.402 179.966 177.584 -0.032 0.000 1.156 545 A CA 1.800 53.856 52.037 0.032 0.000 0.671 545 A CB -1.245 17.689 19.000 -0.111 0.000 0.794 545 A HN 0.822 nan 8.150 nan 0.000 0.459 546 T N -2.676 111.882 114.554 0.008 0.000 3.060 546 T HA 0.404 4.754 4.350 -0.000 0.000 0.249 546 T C 0.471 175.227 174.700 0.092 0.000 1.079 546 T CA -0.268 61.849 62.100 0.028 0.000 1.013 546 T CB -0.431 68.438 68.868 0.001 0.000 0.975 546 T HN 0.217 nan 8.240 nan 0.000 0.518 547 L N 2.040 123.322 121.223 0.098 0.000 2.397 547 L HA 0.448 4.788 4.340 -0.000 0.000 0.271 547 L C 0.329 177.300 176.870 0.167 0.000 1.148 547 L CA -0.865 54.046 54.840 0.118 0.000 0.825 547 L CB 0.844 42.962 42.059 0.100 0.000 1.117 547 L HN 0.139 nan 8.230 nan 0.000 0.456 548 L N 1.943 123.279 121.223 0.190 0.000 2.439 548 L HA 0.267 4.607 4.340 -0.000 0.000 0.261 548 L C 0.124 177.162 176.870 0.280 0.000 1.153 548 L CA -0.562 54.439 54.840 0.269 0.000 0.808 548 L CB 0.615 42.830 42.059 0.259 0.000 1.126 548 L HN 0.378 nan 8.230 nan 0.000 0.460 549 F N 2.363 122.463 119.950 0.251 0.000 2.604 549 F HA -0.100 4.427 4.527 -0.000 0.000 0.390 549 F C 0.401 176.347 175.800 0.243 0.000 1.053 549 F CA 0.670 58.821 58.000 0.252 0.000 1.256 549 F CB 0.175 39.390 39.000 0.358 0.000 0.996 549 F HN 0.388 nan 8.300 nan 0.000 0.564 550 Q N 6.274 125.739 119.800 -0.559 0.000 2.310 550 Q HA 0.252 4.592 4.340 -0.000 0.000 0.270 550 Q C -0.973 174.777 176.000 -0.417 0.000 1.025 550 Q CA -0.840 54.796 55.803 -0.279 0.000 0.772 550 Q CB 1.845 30.523 28.738 -0.100 0.000 1.253 550 Q HN 0.645 nan 8.270 nan 0.000 0.450 551 K N 2.310 122.666 120.400 -0.073 0.000 2.298 551 K HA 0.217 4.537 4.320 -0.000 0.000 0.280 551 K C -0.358 176.313 176.600 0.118 0.000 1.032 551 K CA -0.327 56.013 56.287 0.087 0.000 0.958 551 K CB 0.607 33.238 32.500 0.219 0.000 0.978 551 K HN 0.396 nan 8.250 nan 0.000 0.472 552 H N 2.683 121.759 119.070 0.010 0.000 2.479 552 H HA 0.253 4.809 4.556 -0.000 0.000 0.335 552 H C -2.177 173.188 175.328 0.061 0.000 1.142 552 H CA -1.906 54.154 56.048 0.019 0.000 1.234 552 H CB 1.020 30.782 29.762 0.001 0.000 1.503 552 H HN 0.443 nan 8.280 nan 0.000 0.510 553 P HA 0.084 nan 4.420 nan 0.000 0.267 553 P C -2.638 174.715 177.300 0.088 0.000 1.205 553 P CA -1.096 62.009 63.100 0.009 0.000 0.765 553 P CB 0.345 32.008 31.700 -0.062 0.000 0.828 554 P HA 0.316 nan 4.420 nan 0.000 0.274 554 P C -1.107 176.272 177.300 0.132 0.000 1.231 554 P CA -0.354 62.836 63.100 0.150 0.000 0.790 554 P CB 0.900 32.707 31.700 0.179 0.000 0.951 555 A N 2.354 125.259 122.820 0.142 0.000 2.476 555 A HA 0.505 4.825 4.320 -0.000 0.000 0.280 555 A C -0.961 176.706 177.584 0.139 0.000 1.081 555 A CA -0.673 51.436 52.037 0.120 0.000 0.753 555 A CB 0.677 19.737 19.000 0.099 0.000 1.248 555 A HN 0.536 nan 8.150 nan 0.000 0.424 556 N N 1.609 120.384 118.700 0.126 0.000 2.238 556 N HA 0.728 5.468 4.740 -0.000 0.000 0.302 556 N C -1.278 174.271 175.510 0.066 0.000 1.072 556 N CA -0.238 52.883 53.050 0.119 0.000 0.792 556 N CB 2.213 40.783 38.487 0.138 0.000 1.425 556 N HN 0.571 nan 8.380 nan 0.000 0.478 557 I N 1.450 122.043 120.570 0.038 0.000 2.607 557 I HA 0.207 4.377 4.170 -0.000 0.000 0.290 557 I C -1.079 175.036 176.117 -0.002 0.000 1.129 557 I CA -0.675 60.634 61.300 0.015 0.000 1.042 557 I CB 2.235 40.242 38.000 0.012 0.000 1.242 557 I HN 0.179 nan 8.210 nan 0.000 0.421 558 Q N 6.267 126.078 119.800 0.019 0.000 2.325 558 Q HA 0.671 5.011 4.340 -0.000 0.000 0.270 558 Q C -1.332 174.735 176.000 0.111 0.000 1.020 558 Q CA -0.258 55.577 55.803 0.053 0.000 0.785 558 Q CB 2.743 31.530 28.738 0.081 0.000 1.259 558 Q HN 0.490 nan 8.270 nan 0.000 0.452 559 L N 4.641 125.922 121.223 0.098 0.000 2.333 559 L HA 0.735 5.075 4.340 -0.000 0.000 0.280 559 L C -0.754 176.218 176.870 0.170 0.000 1.004 559 L CA -0.852 54.020 54.840 0.053 0.000 0.820 559 L CB 0.469 42.523 42.059 -0.007 0.000 1.247 559 L HN 0.668 nan 8.230 nan 0.000 0.416 560 F N 0.371 120.298 119.950 -0.040 0.000 2.754 560 F HA 0.582 5.109 4.527 -0.000 0.000 0.320 560 F C -0.771 175.011 175.800 -0.030 0.000 1.156 560 F CA -1.154 56.825 58.000 -0.035 0.000 0.950 560 F CB 1.660 40.635 39.000 -0.040 0.000 1.388 560 F HN 0.341 nan 8.300 nan 0.000 0.485 561 Q N 1.365 121.249 119.800 0.141 0.000 2.256 561 Q HA 0.331 4.671 4.340 -0.000 0.000 0.257 561 Q C -0.745 175.282 176.000 0.045 0.000 0.936 561 Q CA -0.748 55.062 55.803 0.012 0.000 0.903 561 Q CB 1.616 30.380 28.738 0.043 0.000 1.263 561 Q HN 0.642 nan 8.270 nan 0.000 0.440 562 E N 1.978 122.140 120.200 -0.064 0.000 2.390 562 E HA 0.162 4.512 4.350 -0.000 0.000 0.261 562 E C -0.869 175.742 176.600 0.018 0.000 1.076 562 E CA -0.364 56.022 56.400 -0.025 0.000 0.905 562 E CB 0.874 30.531 29.700 -0.071 0.000 0.984 562 E HN 0.418 nan 8.360 nan 0.000 0.427 563 V N 1.198 121.131 119.914 0.031 0.000 3.133 563 V HA 0.477 4.596 4.120 -0.000 0.000 0.305 563 V C -1.999 174.094 176.094 -0.001 0.000 1.084 563 V CA -1.754 60.555 62.300 0.016 0.000 1.089 563 V CB 0.130 31.961 31.823 0.013 0.000 1.073 563 V HN 0.711 nan 8.190 nan 0.000 0.477 564 P HA 0.015 nan 4.420 nan 0.000 0.266 564 P C 0.619 177.913 177.300 -0.009 0.000 1.186 564 P CA 0.650 63.744 63.100 -0.009 0.000 0.767 564 P CB 0.225 31.918 31.700 -0.012 0.000 0.820 565 N N 2.083 120.778 118.700 -0.009 0.000 2.094 565 N HA -0.148 4.592 4.740 -0.000 0.000 0.191 565 N C 1.666 177.173 175.510 -0.005 0.000 1.023 565 N CA 2.229 55.275 53.050 -0.008 0.000 0.857 565 N CB -0.723 37.760 38.487 -0.008 0.000 1.013 565 N HN 0.520 nan 8.380 nan 0.000 0.426 566 G N -0.815 107.982 108.800 -0.004 0.000 3.042 566 G HA2 -0.049 3.910 3.960 -0.000 0.000 0.212 566 G HA3 -0.049 3.910 3.960 -0.000 0.000 0.212 566 G C 0.234 175.132 174.900 -0.004 0.000 1.166 566 G CA -0.359 44.739 45.100 -0.002 0.000 0.767 566 G HN 0.481 nan 8.290 nan 0.000 0.546 567 Q N 1.317 121.112 119.800 -0.009 0.000 2.315 567 Q HA 0.189 4.529 4.340 -0.000 0.000 0.289 567 Q C 0.526 176.519 176.000 -0.011 0.000 1.044 567 Q CA -0.195 55.598 55.803 -0.016 0.000 0.920 567 Q CB 0.382 29.106 28.738 -0.023 0.000 1.214 567 Q HN 0.191 nan 8.270 nan 0.000 0.392 568 S N 2.616 118.308 115.700 -0.013 0.000 2.562 568 S HA -0.012 4.458 4.470 -0.000 0.000 0.281 568 S C 0.918 175.512 174.600 -0.010 0.000 1.333 568 S CA -0.103 58.092 58.200 -0.008 0.000 1.052 568 S CB 0.894 64.089 63.200 -0.008 0.000 0.884 568 S HN 0.822 nan 8.310 nan 0.000 0.506 569 K N 2.737 123.135 120.400 -0.004 0.000 2.209 569 K HA -0.084 4.236 4.320 -0.000 0.000 0.204 569 K C 1.400 177.997 176.600 -0.005 0.000 1.048 569 K CA 1.589 57.875 56.287 -0.000 0.000 0.940 569 K CB -0.095 32.408 32.500 0.005 0.000 0.729 569 K HN 0.776 nan 8.250 nan 0.000 0.451 570 E N 0.453 120.646 120.200 -0.012 0.000 2.427 570 E HA -0.096 4.254 4.350 -0.000 0.000 0.196 570 E C -0.133 176.450 176.600 -0.029 0.000 1.028 570 E CA 0.099 56.486 56.400 -0.020 0.000 0.864 570 E CB 0.124 29.808 29.700 -0.028 0.000 0.813 570 E HN 0.220 nan 8.360 nan 0.000 0.514 571 D N 1.251 121.632 120.400 -0.032 0.000 2.393 571 D HA -0.015 4.625 4.640 -0.000 0.000 0.232 571 D C 0.826 177.099 176.300 -0.044 0.000 1.192 571 D CA 0.036 54.005 54.000 -0.051 0.000 0.882 571 D CB 1.002 41.764 40.800 -0.064 0.000 1.038 571 D HN -0.018 nan 8.370 nan 0.000 0.499 572 T N 0.147 114.678 114.554 -0.039 0.000 3.107 572 T HA 0.082 4.432 4.350 -0.000 0.000 0.249 572 T C 0.899 175.578 174.700 -0.035 0.000 1.096 572 T CA -0.291 61.795 62.100 -0.023 0.000 1.012 572 T CB -0.108 68.756 68.868 -0.007 0.000 0.977 572 T HN 0.081 nan 8.240 nan 0.000 0.527 573 V N 2.295 122.166 119.914 -0.071 0.000 2.493 573 V HA 0.453 4.573 4.120 -0.000 0.000 0.292 573 V C 1.690 177.746 176.094 -0.064 0.000 1.016 573 V CA 1.185 63.434 62.300 -0.084 0.000 1.097 573 V CB -0.258 31.442 31.823 -0.205 0.000 0.947 573 V HN 0.853 nan 8.190 nan 0.000 0.479 574 G N 4.739 113.518 108.800 -0.034 0.000 2.194 574 G HA2 -0.196 3.763 3.960 -0.000 0.000 0.236 574 G HA3 -0.196 3.763 3.960 -0.000 0.000 0.236 574 G C 0.255 175.164 174.900 0.014 0.000 0.987 574 G CA -0.095 45.000 45.100 -0.009 0.000 0.635 574 G HN 0.608 nan 8.290 nan 0.000 0.520 575 R N 0.916 121.417 120.500 0.001 0.000 2.536 575 R HA 0.488 4.828 4.340 -0.000 0.000 0.279 575 R C -2.294 173.988 176.300 -0.029 0.000 1.001 575 R CA -1.685 54.430 56.100 0.024 0.000 1.027 575 R CB 1.443 31.764 30.300 0.034 0.000 1.096 575 R HN 0.036 nan 8.270 nan 0.000 0.502 576 P HA 0.020 nan 4.420 nan 0.000 0.218 576 P C -0.653 176.671 177.300 0.040 0.000 1.793 576 P CA -0.172 62.856 63.100 -0.121 0.000 0.941 576 P CB -0.073 31.524 31.700 -0.172 0.000 1.919 577 L N 2.989 124.235 121.223 0.038 0.000 2.410 577 L HA 0.312 4.652 4.340 -0.000 0.000 0.273 577 L C -2.328 174.642 176.870 0.165 0.000 1.144 577 L CA -1.818 53.081 54.840 0.099 0.000 0.863 577 L CB -0.304 41.785 42.059 0.049 0.000 1.140 577 L HN 0.006 nan 8.230 nan 0.000 0.463 578 P HA -0.024 nan 4.420 nan 0.000 0.269 578 P C -0.878 176.551 177.300 0.216 0.000 1.215 578 P CA -0.088 63.197 63.100 0.309 0.000 0.780 578 P CB 0.229 32.018 31.700 0.148 0.000 0.898 579 H N 2.979 122.128 119.070 0.132 0.000 3.157 579 H HA -0.040 4.515 4.556 -0.000 0.000 0.299 579 H C 1.149 176.518 175.328 0.068 0.000 0.961 579 H CA 0.642 56.737 56.048 0.079 0.000 1.428 579 H CB 0.269 30.073 29.762 0.071 0.000 1.459 579 H HN 0.378 nan 8.280 nan 0.000 0.566 580 L N 4.061 125.372 121.223 0.147 0.000 2.263 580 L HA -0.196 4.144 4.340 -0.000 0.000 0.216 580 L C 2.096 179.105 176.870 0.232 0.000 1.111 580 L CA 1.445 56.382 54.840 0.161 0.000 0.773 580 L CB -0.321 41.783 42.059 0.075 0.000 0.906 580 L HN 0.609 nan 8.230 nan 0.000 0.439 581 A N -1.013 122.053 122.820 0.410 0.000 2.390 581 A HA 0.445 4.765 4.320 -0.000 0.000 0.232 581 A C 2.288 179.924 177.584 0.087 0.000 1.233 581 A CA 0.593 52.756 52.037 0.210 0.000 0.907 581 A CB -0.069 19.044 19.000 0.188 0.000 0.967 581 A HN 0.251 nan 8.150 nan 0.000 0.512 582 A N 0.533 123.408 122.820 0.091 0.000 1.917 582 A HA 0.039 4.359 4.320 -0.000 0.000 0.219 582 A C 2.420 180.016 177.584 0.019 0.000 1.182 582 A CA 2.156 54.194 52.037 0.001 0.000 0.633 582 A CB -0.874 18.149 19.000 0.037 0.000 0.819 582 A HN 1.097 nan 8.150 nan 0.000 0.448 583 A N -0.701 122.144 122.820 0.042 0.000 1.902 583 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 583 A C 2.232 179.839 177.584 0.038 0.000 1.181 583 A CA 1.793 53.851 52.037 0.035 0.000 0.623 583 A CB -0.514 18.510 19.000 0.041 0.000 0.818 583 A HN 0.546 nan 8.150 nan 0.000 0.443 584 M N -1.069 118.558 119.600 0.045 0.000 2.394 584 M HA -0.127 4.353 4.480 -0.000 0.000 0.264 584 M C 2.177 178.505 176.300 0.046 0.000 1.073 584 M CA 1.059 56.383 55.300 0.041 0.000 1.111 584 M CB -0.255 32.371 32.600 0.042 0.000 1.401 584 M HN 0.495 nan 8.290 nan 0.000 0.448 585 Q N 0.062 119.890 119.800 0.046 0.000 2.187 585 Q HA 0.026 4.366 4.340 -0.000 0.000 0.199 585 Q C 2.213 178.252 176.000 0.065 0.000 0.957 585 Q CA 1.250 57.100 55.803 0.079 0.000 0.857 585 Q CB -0.058 28.715 28.738 0.058 0.000 0.929 585 Q HN 0.552 nan 8.270 nan 0.000 0.453 586 A N 0.854 123.701 122.820 0.045 0.000 2.014 586 A HA -0.098 4.221 4.320 -0.000 0.000 0.218 586 A C 2.094 179.703 177.584 0.041 0.000 1.163 586 A CA 1.398 53.465 52.037 0.051 0.000 0.652 586 A CB -0.210 18.821 19.000 0.051 0.000 0.808 586 A HN 0.365 nan 8.150 nan 0.000 0.449 587 S N -2.167 113.553 115.700 0.033 0.000 2.548 587 S HA 0.378 4.848 4.470 -0.000 0.000 0.215 587 S C 1.417 176.024 174.600 0.012 0.000 0.976 587 S CA 1.059 59.270 58.200 0.018 0.000 0.908 587 S CB -0.182 63.030 63.200 0.019 0.000 0.781 587 S HN 1.831 nan 8.310 nan 0.000 0.519 588 G N 1.328 110.146 108.800 0.030 0.000 2.148 588 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.254 588 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.254 588 G C 0.448 175.373 174.900 0.042 0.000 0.981 588 G CA 0.515 45.635 45.100 0.033 0.000 0.670 588 G HN 0.611 nan 8.290 nan 0.000 0.528 589 E N 0.015 120.236 120.200 0.036 0.000 2.385 589 E HA 0.407 4.757 4.350 -0.000 0.000 0.194 589 E C 1.693 178.306 176.600 0.022 0.000 1.013 589 E CA 0.313 56.727 56.400 0.024 0.000 0.866 589 E CB 0.233 29.943 29.700 0.016 0.000 0.832 589 E HN 0.775 nan 8.360 nan 0.000 0.500 590 A N 1.763 124.601 122.820 0.031 0.000 2.524 590 A HA 0.167 4.487 4.320 -0.000 0.000 0.250 590 A C 0.198 177.728 177.584 -0.091 0.000 1.078 590 A CA -0.125 51.882 52.037 -0.050 0.000 0.761 590 A CB 0.214 19.178 19.000 -0.060 0.000 1.012 590 A HN 0.000 nan 8.150 nan 0.000 0.500 591 V N 4.474 124.296 119.914 -0.153 0.000 2.406 591 V HA 0.270 4.390 4.120 -0.000 0.000 0.272 591 V C -0.420 175.540 176.094 -0.223 0.000 1.043 591 V CA -0.008 62.236 62.300 -0.094 0.000 0.915 591 V CB -0.184 31.606 31.823 -0.056 0.000 0.988 591 V HN 0.741 nan 8.190 nan 0.000 0.466 592 Y N 1.732 122.090 120.300 0.097 0.000 2.534 592 Y HA 0.332 4.882 4.550 -0.000 0.000 0.329 592 Y C 1.550 177.493 175.900 0.072 0.000 1.154 592 Y CA -0.335 57.833 58.100 0.113 0.000 1.192 592 Y CB 0.836 39.443 38.460 0.246 0.000 1.275 592 Y HN 0.651 nan 8.280 nan 0.000 0.491 593 C N 0.858 120.276 119.300 0.195 0.000 2.336 593 C HA -0.316 4.144 4.460 -0.000 0.000 0.272 593 C C 2.523 177.570 174.990 0.095 0.000 1.160 593 C CA 2.617 61.706 59.018 0.118 0.000 1.783 593 C CB -0.796 27.004 27.740 0.101 0.000 2.050 593 C HN 1.101 nan 8.230 nan 0.000 0.443 594 D N -0.492 119.990 120.400 0.136 0.000 2.348 594 D HA -0.068 4.572 4.640 -0.000 0.000 0.216 594 D C 1.529 177.890 176.300 0.102 0.000 0.970 594 D CA 0.925 54.996 54.000 0.119 0.000 0.889 594 D CB -0.334 40.557 40.800 0.152 0.000 0.912 594 D HN 0.554 nan 8.370 nan 0.000 0.524 595 D N -0.241 120.235 120.400 0.127 0.000 2.312 595 D HA -0.022 4.618 4.640 -0.000 0.000 0.211 595 D C 0.617 176.918 176.300 0.002 0.000 0.964 595 D CA 0.191 54.243 54.000 0.088 0.000 0.877 595 D CB 0.082 40.967 40.800 0.142 0.000 0.924 595 D HN 0.370 nan 8.370 nan 0.000 0.515 596 I N 2.484 123.027 120.570 -0.046 0.000 2.683 596 I HA -0.002 4.168 4.170 -0.000 0.000 0.286 596 I C -1.958 174.064 176.117 -0.158 0.000 1.175 596 I CA -1.456 59.749 61.300 -0.158 0.000 1.429 596 I CB 0.279 38.103 38.000 -0.292 0.000 1.371 596 I HN -0.295 nan 8.210 nan 0.000 0.569 597 P HA 0.038 nan 4.420 nan 0.000 0.267 597 P C -0.979 176.178 177.300 -0.239 0.000 1.200 597 P CA -0.232 62.759 63.100 -0.181 0.000 0.772 597 P CB 0.382 31.962 31.700 -0.201 0.000 0.855 598 R N 2.196 122.606 120.500 -0.150 0.000 2.459 598 R HA 0.376 4.716 4.340 -0.000 0.000 0.281 598 R C -0.569 175.644 176.300 -0.145 0.000 1.050 598 R CA -0.601 55.422 56.100 -0.129 0.000 1.055 598 R CB 0.206 30.488 30.300 -0.029 0.000 1.045 598 R HN 0.322 nan 8.270 nan 0.000 0.495 599 Y N 1.208 121.474 120.300 -0.057 0.000 2.357 599 Y HA -0.083 4.467 4.550 -0.000 0.000 0.340 599 Y C 1.742 177.633 175.900 -0.015 0.000 1.260 599 Y CA 0.436 58.514 58.100 -0.037 0.000 1.425 599 Y CB 0.988 39.426 38.460 -0.037 0.000 1.326 599 Y HN 0.814 nan 8.280 nan 0.000 0.580 600 E N 0.231 120.533 120.200 0.169 0.000 2.160 600 E HA -0.276 4.074 4.350 -0.000 0.000 0.195 600 E C 0.715 177.385 176.600 0.116 0.000 0.991 600 E CA 1.715 58.179 56.400 0.106 0.000 0.810 600 E CB -0.288 29.459 29.700 0.078 0.000 0.742 600 E HN 0.696 nan 8.360 nan 0.000 0.466 601 N N 0.981 119.753 118.700 0.120 0.000 2.251 601 N HA -0.011 4.729 4.740 -0.000 0.000 0.217 601 N C -0.475 175.154 175.510 0.199 0.000 1.124 601 N CA -0.095 53.034 53.050 0.132 0.000 0.843 601 N CB 0.234 38.701 38.487 -0.033 0.000 1.024 601 N HN 0.269 nan 8.380 nan 0.000 0.501 602 E N 1.007 121.287 120.200 0.133 0.000 2.316 602 E HA 0.228 4.578 4.350 -0.000 0.000 0.275 602 E C -0.490 176.067 176.600 -0.072 0.000 1.029 602 E CA -0.335 56.087 56.400 0.036 0.000 0.871 602 E CB 0.680 30.373 29.700 -0.012 0.000 1.022 602 E HN 0.240 nan 8.360 nan 0.000 0.418 603 L N 3.494 124.649 121.223 -0.113 0.000 2.365 603 L HA 0.517 4.857 4.340 -0.000 0.000 0.267 603 L C -0.536 176.143 176.870 -0.319 0.000 1.033 603 L CA -1.012 53.767 54.840 -0.101 0.000 0.802 603 L CB 0.741 42.764 42.059 -0.060 0.000 1.267 603 L HN 0.514 nan 8.230 nan 0.000 0.457 604 F N 0.800 120.771 119.950 0.034 0.000 2.508 604 F HA 0.602 5.129 4.527 -0.000 0.000 0.325 604 F C -0.201 175.624 175.800 0.042 0.000 1.090 604 F CA -0.534 57.493 58.000 0.046 0.000 0.945 604 F CB 1.812 40.840 39.000 0.047 0.000 1.156 604 F HN 0.158 nan 8.300 nan 0.000 0.463 605 L N 3.129 124.481 121.223 0.216 0.000 2.346 605 L HA 0.764 5.104 4.340 -0.000 0.000 0.276 605 L C -1.066 175.907 176.870 0.172 0.000 1.006 605 L CA -0.833 54.102 54.840 0.157 0.000 0.817 605 L CB 1.528 43.657 42.059 0.117 0.000 1.272 605 L HN 0.684 nan 8.230 nan 0.000 0.421 606 R N 4.400 124.994 120.500 0.157 0.000 2.513 606 R HA 0.573 4.913 4.340 -0.000 0.000 0.301 606 R C -1.645 174.744 176.300 0.149 0.000 0.968 606 R CA -0.416 55.776 56.100 0.153 0.000 0.872 606 R CB 1.265 31.658 30.300 0.154 0.000 1.177 606 R HN 0.682 nan 8.270 nan 0.000 0.444 607 L N 3.887 125.199 121.223 0.147 0.000 2.426 607 L HA 0.356 4.696 4.340 -0.000 0.000 0.271 607 L C -0.298 176.660 176.870 0.146 0.000 1.169 607 L CA -0.732 54.196 54.840 0.147 0.000 0.836 607 L CB 1.253 43.407 42.059 0.159 0.000 1.112 607 L HN 0.331 nan 8.230 nan 0.000 0.465 608 V N 1.846 121.842 119.914 0.136 0.000 2.347 608 V HA 0.363 4.483 4.120 -0.000 0.000 0.280 608 V C 0.360 176.534 176.094 0.134 0.000 1.021 608 V CA -0.472 61.917 62.300 0.149 0.000 0.847 608 V CB 1.337 33.289 31.823 0.214 0.000 0.990 608 V HN 0.922 nan 8.190 nan 0.000 0.444 609 T N 1.206 115.846 114.554 0.143 0.000 2.932 609 T HA 0.562 4.912 4.350 -0.000 0.000 0.289 609 T C 0.100 174.908 174.700 0.179 0.000 1.039 609 T CA -0.629 61.567 62.100 0.160 0.000 1.024 609 T CB 1.791 70.758 68.868 0.165 0.000 1.090 609 T HN 0.555 nan 8.240 nan 0.000 0.496 610 S N 0.418 116.242 115.700 0.206 0.000 2.562 610 S HA 0.274 4.744 4.470 -0.000 0.000 0.281 610 S C 1.271 175.950 174.600 0.133 0.000 1.333 610 S CA 0.067 58.416 58.200 0.247 0.000 1.052 610 S CB 0.017 63.374 63.200 0.262 0.000 0.884 610 S HN 1.004 nan 8.310 nan 0.000 0.506 611 T N 2.323 116.891 114.554 0.023 0.000 3.092 611 T HA 0.381 4.731 4.350 -0.000 0.000 0.258 611 T C 0.297 174.867 174.700 -0.217 0.000 1.031 611 T CA -0.485 61.572 62.100 -0.073 0.000 0.925 611 T CB 0.018 68.858 68.868 -0.048 0.000 1.036 611 T HN 0.413 nan 8.240 nan 0.000 0.544 612 R N 0.374 120.682 120.500 -0.320 0.000 2.711 612 R HA 0.785 5.125 4.340 -0.000 0.000 0.284 612 R C 0.951 177.220 176.300 -0.052 0.000 0.968 612 R CA -0.356 55.580 56.100 -0.274 0.000 0.924 612 R CB 1.308 31.300 30.300 -0.512 0.000 1.162 612 R HN 0.141 nan 8.270 nan 0.000 0.465 613 A N 1.006 123.825 122.820 -0.001 0.000 1.929 613 A HA -0.065 4.255 4.320 -0.000 0.000 0.216 613 A C 0.374 178.044 177.584 0.143 0.000 1.176 613 A CA 1.256 53.328 52.037 0.058 0.000 0.628 613 A CB -0.068 18.955 19.000 0.039 0.000 0.816 613 A HN 0.725 nan 8.150 nan 0.000 0.444 614 H N -2.016 117.063 119.070 0.015 0.000 3.240 614 H HA 0.521 5.077 4.556 -0.000 0.000 0.329 614 H C -1.157 174.201 175.328 0.051 0.000 1.024 614 H CA -0.204 55.871 56.048 0.047 0.000 1.487 614 H CB 0.920 30.698 29.762 0.026 0.000 1.909 614 H HN 0.473 nan 8.280 nan 0.000 0.465 615 A N 4.230 127.152 122.820 0.169 0.000 2.586 615 A HA 0.402 4.722 4.320 -0.000 0.000 0.291 615 A C -1.511 176.159 177.584 0.143 0.000 1.062 615 A CA -1.015 51.071 52.037 0.082 0.000 0.666 615 A CB 1.701 20.790 19.000 0.149 0.000 1.281 615 A HN 0.566 nan 8.150 nan 0.000 0.421 616 K N 0.582 121.037 120.400 0.091 0.000 2.174 616 K HA 0.566 4.886 4.320 -0.000 0.000 0.275 616 K C -0.882 175.766 176.600 0.080 0.000 1.015 616 K CA -0.127 56.204 56.287 0.074 0.000 0.933 616 K CB 1.236 33.754 32.500 0.029 0.000 1.025 616 K HN 0.516 nan 8.250 nan 0.000 0.463 617 I N 4.178 124.762 120.570 0.024 0.000 2.301 617 I HA 0.026 4.196 4.170 -0.000 0.000 0.292 617 I C 1.093 177.165 176.117 -0.076 0.000 1.046 617 I CA -0.320 60.929 61.300 -0.085 0.000 1.282 617 I CB 0.760 38.706 38.000 -0.091 0.000 1.409 617 I HN 0.455 nan 8.210 nan 0.000 0.484 618 K N 3.688 124.029 120.400 -0.099 0.000 2.098 618 K HA 0.096 4.416 4.320 -0.000 0.000 0.203 618 K C 0.617 177.170 176.600 -0.077 0.000 1.051 618 K CA 0.655 56.903 56.287 -0.065 0.000 0.957 618 K CB 0.007 32.478 32.500 -0.048 0.000 0.738 618 K HN 0.746 nan 8.250 nan 0.000 0.447 619 S N -0.808 114.819 115.700 -0.121 0.000 2.595 619 S HA 0.600 5.070 4.470 -0.000 0.000 0.270 619 S C -0.978 173.530 174.600 -0.154 0.000 1.145 619 S CA -1.067 57.068 58.200 -0.108 0.000 0.825 619 S CB 1.293 64.442 63.200 -0.084 0.000 1.107 619 S HN 0.017 nan 8.310 nan 0.000 0.461 620 I N 1.531 122.022 120.570 -0.133 0.000 2.478 620 I HA 0.451 4.621 4.170 -0.000 0.000 0.287 620 I C -1.631 174.372 176.117 -0.191 0.000 1.042 620 I CA -0.333 60.855 61.300 -0.186 0.000 1.067 620 I CB 1.992 39.895 38.000 -0.162 0.000 1.233 620 I HN 0.785 nan 8.210 nan 0.000 0.431 621 D N 5.583 125.851 120.400 -0.220 0.000 2.408 621 D HA 0.389 5.029 4.640 -0.000 0.000 0.243 621 D C 0.253 176.394 176.300 -0.266 0.000 1.075 621 D CA -0.532 53.349 54.000 -0.197 0.000 0.832 621 D CB 2.071 42.784 40.800 -0.146 0.000 1.162 621 D HN 0.321 nan 8.370 nan 0.000 0.515 622 V N 1.648 121.402 119.914 -0.267 0.000 3.319 622 V HA 0.165 4.285 4.120 -0.000 0.000 0.317 622 V C 1.532 177.461 176.094 -0.276 0.000 1.411 622 V CA 0.616 62.725 62.300 -0.317 0.000 1.112 622 V CB -0.434 31.195 31.823 -0.323 0.000 1.031 622 V HN 0.507 nan 8.190 nan 0.000 0.448 623 S N 0.184 115.764 115.700 -0.201 0.000 2.387 623 S HA -0.218 4.252 4.470 -0.000 0.000 0.230 623 S C 1.751 176.232 174.600 -0.198 0.000 1.035 623 S CA 1.712 59.809 58.200 -0.173 0.000 1.014 623 S CB -0.427 62.702 63.200 -0.118 0.000 0.836 623 S HN 0.637 nan 8.310 nan 0.000 0.466 624 E N 1.781 121.865 120.200 -0.194 0.000 2.051 624 E HA 0.121 4.471 4.350 -0.000 0.000 0.189 624 E C 2.535 178.992 176.600 -0.238 0.000 0.979 624 E CA 1.115 57.410 56.400 -0.174 0.000 0.803 624 E CB -0.777 28.845 29.700 -0.131 0.000 0.761 624 E HN 0.622 nan 8.360 nan 0.000 0.451 625 A N 1.309 123.942 122.820 -0.311 0.000 1.940 625 A HA -0.240 4.080 4.320 -0.000 0.000 0.219 625 A C 2.048 179.146 177.584 -0.810 0.000 1.176 625 A CA 1.576 53.365 52.037 -0.413 0.000 0.631 625 A CB -0.605 18.174 19.000 -0.370 0.000 0.814 625 A HN 0.249 nan 8.150 nan 0.000 0.446 626 Q N -0.656 118.603 119.800 -0.901 0.000 2.439 626 Q HA -0.126 4.214 4.340 -0.000 0.000 0.211 626 Q C 1.579 177.340 176.000 -0.399 0.000 0.978 626 Q CA 1.310 56.566 55.803 -0.912 0.000 0.897 626 Q CB -0.100 28.357 28.738 -0.468 0.000 0.956 626 Q HN 0.668 nan 8.270 nan 0.000 0.483 627 K N -0.237 119.990 120.400 -0.287 0.000 2.361 627 K HA 0.083 4.403 4.320 -0.000 0.000 0.196 627 K C 0.155 176.687 176.600 -0.113 0.000 1.039 627 K CA -0.012 56.185 56.287 -0.150 0.000 1.001 627 K CB 0.649 33.080 32.500 -0.116 0.000 0.795 627 K HN -0.058 nan 8.250 nan 0.000 0.495 628 V N 4.176 124.015 119.914 -0.125 0.000 2.529 628 V HA 0.025 4.145 4.120 -0.000 0.000 0.292 628 V C -2.203 173.824 176.094 -0.111 0.000 1.028 628 V CA -1.419 60.833 62.300 -0.081 0.000 1.074 628 V CB 0.288 32.104 31.823 -0.012 0.000 0.958 628 V HN 0.061 nan 8.190 nan 0.000 0.481 629 P HA 0.203 nan 4.420 nan 0.000 0.266 629 P C 0.968 177.978 177.300 -0.483 0.000 1.195 629 P CA 1.301 64.205 63.100 -0.326 0.000 0.768 629 P CB 0.542 32.024 31.700 -0.363 0.000 0.838 630 G N 1.658 110.365 108.800 -0.155 0.000 2.179 630 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.260 630 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.260 630 G C 0.136 175.091 174.900 0.092 0.000 0.977 630 G CA -0.306 44.799 45.100 0.009 0.000 0.641 630 G HN 0.558 nan 8.290 nan 0.000 0.533 631 F N 0.939 120.864 119.950 -0.042 0.000 2.572 631 F HA 0.428 4.955 4.527 -0.000 0.000 0.370 631 F C 1.287 177.096 175.800 0.014 0.000 1.103 631 F CA 0.901 58.905 58.000 0.007 0.000 1.286 631 F CB 1.070 40.066 39.000 -0.006 0.000 1.105 631 F HN -0.079 nan 8.300 nan 0.000 0.583 632 V N 4.126 123.592 119.914 -0.746 0.000 2.911 632 V HA 0.120 4.240 4.120 -0.000 0.000 0.237 632 V C 0.213 175.868 176.094 -0.731 0.000 1.156 632 V CA 1.003 62.987 62.300 -0.526 0.000 1.180 632 V CB 0.395 32.018 31.823 -0.333 0.000 0.932 632 V HN 1.054 nan 8.190 nan 0.000 0.483 633 C N -1.799 116.834 119.300 -1.112 0.000 3.253 633 C HA 0.639 5.099 4.460 -0.000 0.000 0.342 633 C C -1.496 173.344 174.990 -0.250 0.000 1.306 633 C CA -1.329 57.350 59.018 -0.566 0.000 1.207 633 C CB 0.702 28.318 27.740 -0.206 0.000 1.479 633 C HN 0.291 nan 8.230 nan 0.000 0.469 634 F N 1.980 121.951 119.950 0.035 0.000 2.458 634 F HA 0.853 5.380 4.527 -0.000 0.000 0.336 634 F C -0.874 174.927 175.800 0.001 0.000 1.114 634 F CA -1.316 56.736 58.000 0.087 0.000 0.987 634 F CB 0.925 40.038 39.000 0.187 0.000 1.130 634 F HN 0.738 nan 8.300 nan 0.000 0.458 635 L N 5.682 126.383 121.223 -0.870 0.000 2.334 635 L HA 0.747 5.087 4.340 -0.000 0.000 0.276 635 L C -0.263 175.883 176.870 -1.206 0.000 1.014 635 L CA -0.561 53.863 54.840 -0.694 0.000 0.815 635 L CB 1.903 43.809 42.059 -0.255 0.000 1.268 635 L HN 0.819 nan 8.230 nan 0.000 0.428 636 S N 0.595 115.911 115.700 -0.639 0.000 2.776 636 S HA 0.610 5.080 4.470 -0.000 0.000 0.292 636 S C 0.632 175.297 174.600 0.108 0.000 1.187 636 S CA -0.139 57.758 58.200 -0.505 0.000 0.834 636 S CB 1.245 64.263 63.200 -0.304 0.000 1.199 636 S HN 0.631 nan 8.310 nan 0.000 0.514 637 A N 0.906 123.841 122.820 0.192 0.000 1.940 637 A HA -0.196 4.124 4.320 -0.000 0.000 0.221 637 A C 1.367 179.027 177.584 0.127 0.000 1.190 637 A CA 2.609 54.780 52.037 0.223 0.000 0.647 637 A CB -1.774 17.311 19.000 0.141 0.000 0.821 637 A HN 0.898 nan 8.150 nan 0.000 0.457 638 D N -0.012 120.438 120.400 0.084 0.000 2.350 638 D HA -0.063 4.577 4.640 -0.000 0.000 0.216 638 D C 0.963 177.303 176.300 0.067 0.000 0.968 638 D CA 1.083 55.120 54.000 0.063 0.000 0.894 638 D CB -0.097 40.735 40.800 0.052 0.000 0.909 638 D HN 0.485 nan 8.370 nan 0.000 0.520 639 D N 0.124 120.575 120.400 0.086 0.000 2.348 639 D HA 0.034 4.674 4.640 -0.000 0.000 0.211 639 D C 0.659 177.025 176.300 0.109 0.000 0.998 639 D CA 0.093 54.153 54.000 0.100 0.000 0.873 639 D CB 0.508 41.366 40.800 0.097 0.000 0.925 639 D HN 0.293 nan 8.370 nan 0.000 0.524 640 I N 3.633 124.243 120.570 0.068 0.000 2.587 640 I HA -0.039 4.131 4.170 -0.000 0.000 0.284 640 I C -0.835 175.257 176.117 -0.042 0.000 1.134 640 I CA -0.888 60.401 61.300 -0.018 0.000 1.410 640 I CB 1.020 38.986 38.000 -0.056 0.000 1.392 640 I HN -0.146 nan 8.210 nan 0.000 0.545 641 P HA 0.022 nan 4.420 nan 0.000 0.226 641 P C 0.891 178.112 177.300 -0.131 0.000 1.161 641 P CA 0.707 63.729 63.100 -0.130 0.000 0.804 641 P CB 0.578 32.080 31.700 -0.331 0.000 0.829 642 G N -0.028 108.673 108.800 -0.166 0.000 2.766 642 G HA2 0.224 4.184 3.960 -0.000 0.000 0.206 642 G HA3 0.224 4.184 3.960 -0.000 0.000 0.206 642 G C -0.329 174.512 174.900 -0.098 0.000 2.072 642 G CA 0.180 45.203 45.100 -0.128 0.000 0.798 642 G HN 0.335 nan 8.290 nan 0.000 0.703 643 S N -0.609 115.024 115.700 -0.110 0.000 2.513 643 S HA 0.386 4.856 4.470 -0.000 0.000 0.299 643 S C 0.002 174.534 174.600 -0.113 0.000 1.087 643 S CA -0.610 57.532 58.200 -0.097 0.000 1.012 643 S CB 1.724 64.865 63.200 -0.099 0.000 1.044 643 S HN 0.340 nan 8.310 nan 0.000 0.485 644 N N 2.549 121.198 118.700 -0.085 0.000 2.268 644 N HA 0.106 4.846 4.740 -0.000 0.000 0.204 644 N C -0.203 175.258 175.510 -0.082 0.000 1.124 644 N CA -0.069 52.931 53.050 -0.085 0.000 0.838 644 N CB 0.288 38.757 38.487 -0.030 0.000 0.994 644 N HN 0.764 nan 8.380 nan 0.000 0.489 645 E N 0.007 120.147 120.200 -0.100 0.000 2.146 645 E HA 0.273 4.623 4.350 -0.000 0.000 0.282 645 E C -0.829 175.655 176.600 -0.193 0.000 0.989 645 E CA -0.267 56.070 56.400 -0.105 0.000 0.799 645 E CB 0.884 30.536 29.700 -0.081 0.000 1.088 645 E HN 0.081 nan 8.360 nan 0.000 0.397 646 T N 2.234 116.657 114.554 -0.219 0.000 2.654 646 T HA 0.762 5.112 4.350 -0.000 0.000 0.289 646 T C -0.656 173.835 174.700 -0.347 0.000 1.062 646 T CA 0.384 62.230 62.100 -0.424 0.000 1.041 646 T CB 1.195 69.812 68.868 -0.417 0.000 1.417 646 T HN 0.932 nan 8.240 nan 0.000 0.510 647 G N 0.530 109.031 108.800 -0.498 0.000 2.675 647 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.686 647 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.686 647 G C 0.224 175.191 174.900 0.113 0.000 1.215 647 G CA -0.144 44.940 45.100 -0.026 0.000 0.777 647 G HN 0.999 nan 8.290 nan 0.000 0.638 648 L N 0.319 121.770 121.223 0.381 0.000 2.081 648 L HA 0.154 4.493 4.340 -0.000 0.000 0.212 648 L C 2.065 178.947 176.870 0.019 0.000 1.080 648 L CA 2.402 57.425 54.840 0.306 0.000 0.754 648 L CB -0.443 41.824 42.059 0.347 0.000 0.893 648 L HN 0.574 nan 8.230 nan 0.000 0.433 649 F N -0.470 119.509 119.950 0.047 0.000 2.708 649 F HA 0.280 4.806 4.527 -0.000 0.000 0.300 649 F C 1.057 176.840 175.800 -0.028 0.000 1.118 649 F CA -0.604 57.398 58.000 0.003 0.000 1.307 649 F CB -0.476 38.505 39.000 -0.030 0.000 0.986 649 F HN 0.047 nan 8.300 nan 0.000 0.522 650 N N 1.568 120.297 118.700 0.049 0.000 2.708 650 N HA -0.203 4.537 4.740 -0.000 0.000 0.249 650 N C -0.120 175.401 175.510 0.019 0.000 1.097 650 N CA 1.300 54.338 53.050 -0.020 0.000 0.710 650 N CB -0.870 37.598 38.487 -0.032 0.000 1.032 650 N HN 0.521 nan 8.380 nan 0.000 0.551 651 D N -1.001 119.427 120.400 0.046 0.000 2.538 651 D HA 0.166 4.806 4.640 -0.000 0.000 0.231 651 D C 0.169 176.487 176.300 0.029 0.000 1.229 651 D CA 0.093 54.118 54.000 0.042 0.000 0.828 651 D CB 0.307 41.132 40.800 0.041 0.000 1.035 651 D HN 0.354 nan 8.370 nan 0.000 0.495 652 E N -0.216 119.991 120.200 0.011 0.000 2.359 652 E HA 0.513 4.863 4.350 -0.000 0.000 0.266 652 E C -0.536 176.076 176.600 0.020 0.000 0.920 652 E CA -0.954 55.458 56.400 0.020 0.000 0.788 652 E CB 1.888 31.596 29.700 0.013 0.000 1.279 652 E HN 0.136 nan 8.360 nan 0.000 0.438 653 T N -2.318 112.286 114.554 0.083 0.000 2.918 653 T HA 0.311 4.661 4.350 -0.000 0.000 0.286 653 T C 0.825 175.553 174.700 0.047 0.000 1.026 653 T CA -0.790 61.357 62.100 0.078 0.000 1.031 653 T CB 1.394 70.361 68.868 0.165 0.000 1.046 653 T HN 0.152 nan 8.240 nan 0.000 0.479 654 V N 0.321 120.199 119.914 -0.060 0.000 2.407 654 V HA 0.235 4.355 4.120 -0.000 0.000 0.245 654 V C 0.235 176.235 176.094 -0.156 0.000 1.041 654 V CA 0.945 63.112 62.300 -0.221 0.000 1.040 654 V CB -0.609 30.954 31.823 -0.434 0.000 0.671 654 V HN 0.842 nan 8.190 nan 0.000 0.455 655 F N -0.829 119.133 119.950 0.020 0.000 2.547 655 F HA 0.686 5.213 4.527 -0.000 0.000 0.316 655 F C 0.342 176.133 175.800 -0.016 0.000 1.121 655 F CA -1.069 56.930 58.000 -0.002 0.000 0.911 655 F CB 1.324 40.302 39.000 -0.035 0.000 1.179 655 F HN 0.011 nan 8.300 nan 0.000 0.443 656 A N 3.170 126.048 122.820 0.097 0.000 2.565 656 A HA 0.214 4.534 4.320 -0.000 0.000 0.237 656 A C -0.379 177.217 177.584 0.021 0.000 1.053 656 A CA 0.259 52.245 52.037 -0.086 0.000 0.755 656 A CB 0.270 19.012 19.000 -0.431 0.000 0.980 656 A HN 0.611 nan 8.150 nan 0.000 0.506 657 K N 2.075 122.504 120.400 0.048 0.000 2.502 657 K HA 0.434 4.754 4.320 -0.000 0.000 0.254 657 K C -0.064 176.570 176.600 0.056 0.000 0.947 657 K CA 0.035 56.355 56.287 0.055 0.000 0.834 657 K CB 0.690 33.229 32.500 0.066 0.000 1.112 657 K HN 0.720 nan 8.250 nan 0.000 0.427 658 D N 0.905 121.329 120.400 0.040 0.000 3.031 658 D HA -0.187 4.453 4.640 -0.000 0.000 0.180 658 D C -0.416 175.920 176.300 0.061 0.000 1.571 658 D CA 2.103 56.129 54.000 0.042 0.000 2.057 658 D CB -0.702 40.127 40.800 0.049 0.000 1.356 658 D HN 0.623 nan 8.370 nan 0.000 0.442 659 T N 0.165 114.775 114.554 0.093 0.000 2.900 659 T HA 0.616 4.966 4.350 -0.000 0.000 0.295 659 T C -0.244 174.569 174.700 0.188 0.000 1.044 659 T CA -0.466 61.725 62.100 0.152 0.000 0.995 659 T CB 3.010 71.995 68.868 0.196 0.000 1.072 659 T HN 0.164 nan 8.240 nan 0.000 0.473 660 V N 0.240 120.314 119.914 0.265 0.000 2.513 660 V HA 0.794 4.914 4.120 -0.000 0.000 0.299 660 V C 0.649 177.025 176.094 0.470 0.000 1.035 660 V CA -0.652 61.870 62.300 0.370 0.000 0.889 660 V CB 1.178 33.186 31.823 0.309 0.000 0.988 660 V HN 1.059 nan 8.190 nan 0.000 0.440 661 T N -0.825 114.044 114.554 0.526 0.000 3.182 661 T HA 0.433 4.783 4.350 -0.000 0.000 0.277 661 T C 0.208 174.920 174.700 0.020 0.000 1.013 661 T CA 0.305 62.475 62.100 0.117 0.000 0.900 661 T CB -0.709 68.131 68.868 -0.047 0.000 1.098 661 T HN 1.805 nan 8.240 nan 0.000 0.543 662 C N -0.904 118.468 119.300 0.120 0.000 3.249 662 C HA 0.654 5.113 4.460 -0.000 0.000 0.358 662 C C -0.614 174.455 174.990 0.132 0.000 1.187 662 C CA -1.227 57.835 59.018 0.074 0.000 1.170 662 C CB 0.677 28.423 27.740 0.010 0.000 1.478 662 C HN 0.166 nan 8.230 nan 0.000 0.508 663 V N 3.273 123.245 119.914 0.096 0.000 2.585 663 V HA 0.539 4.659 4.120 -0.000 0.000 0.296 663 V C 1.637 177.809 176.094 0.131 0.000 1.035 663 V CA 2.315 64.674 62.300 0.099 0.000 1.084 663 V CB 0.578 32.446 31.823 0.074 0.000 0.953 663 V HN 2.425 nan 8.190 nan 0.000 0.483 664 G N 3.085 111.978 108.800 0.155 0.000 2.195 664 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.224 664 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.224 664 G C 0.252 175.286 174.900 0.223 0.000 0.990 664 G CA 0.223 45.422 45.100 0.166 0.000 0.639 664 G HN 0.950 nan 8.290 nan 0.000 0.514 665 H N 0.780 119.922 119.070 0.120 0.000 3.046 665 H HA 0.369 4.925 4.556 -0.000 0.000 0.303 665 H C 0.829 176.249 175.328 0.153 0.000 1.002 665 H CA -0.536 55.590 56.048 0.130 0.000 1.460 665 H CB 0.160 30.002 29.762 0.132 0.000 1.493 665 H HN 0.266 nan 8.280 nan 0.000 0.559 666 I N 7.614 128.419 120.570 0.392 0.000 2.578 666 I HA -0.149 4.021 4.170 -0.000 0.000 0.286 666 I C 1.006 177.213 176.117 0.151 0.000 1.126 666 I CA 0.341 61.800 61.300 0.264 0.000 1.380 666 I CB 0.505 38.704 38.000 0.331 0.000 1.408 666 I HN 0.712 nan 8.210 nan 0.000 0.532 667 I N 4.885 125.488 120.570 0.055 0.000 2.731 667 I HA 0.193 4.363 4.170 -0.000 0.000 0.260 667 I C 1.330 177.319 176.117 -0.214 0.000 1.138 667 I CA 0.471 61.753 61.300 -0.028 0.000 1.461 667 I CB 0.009 38.021 38.000 0.021 0.000 1.128 667 I HN 0.760 nan 8.210 nan 0.000 0.438 668 G N -0.038 108.548 108.800 -0.356 0.000 2.500 668 G HA2 0.733 4.693 3.960 -0.000 0.000 0.299 668 G HA3 0.733 4.693 3.960 -0.000 0.000 0.299 668 G C -2.028 172.513 174.900 -0.598 0.000 1.242 668 G CA 0.165 44.647 45.100 -1.030 0.000 0.859 668 G HN 0.246 nan 8.290 nan 0.000 0.481 669 A N -1.491 120.990 122.820 -0.564 0.000 2.594 669 A HA 0.729 5.048 4.320 -0.000 0.000 0.296 669 A C -1.488 176.099 177.584 0.006 0.000 1.061 669 A CA -0.363 51.605 52.037 -0.115 0.000 0.689 669 A CB 1.547 20.540 19.000 -0.012 0.000 1.280 669 A HN 1.533 nan 8.150 nan 0.000 0.406 670 V N 1.218 121.229 119.914 0.163 0.000 2.547 670 V HA 0.607 4.727 4.120 -0.000 0.000 0.299 670 V C -0.335 175.804 176.094 0.074 0.000 1.040 670 V CA -0.471 61.948 62.300 0.198 0.000 0.913 670 V CB 1.669 33.681 31.823 0.315 0.000 0.992 670 V HN 0.729 nan 8.190 nan 0.000 0.449 671 V N 3.736 123.614 119.914 -0.060 0.000 2.495 671 V HA 0.927 5.047 4.120 -0.000 0.000 0.298 671 V C 0.185 176.205 176.094 -0.123 0.000 1.031 671 V CA -0.159 62.101 62.300 -0.066 0.000 0.871 671 V CB 1.382 33.134 31.823 -0.118 0.000 0.988 671 V HN 1.088 nan 8.190 nan 0.000 0.432 672 A N 2.949 125.788 122.820 0.032 0.000 2.552 672 A HA 0.711 5.031 4.320 -0.000 0.000 0.288 672 A C 0.484 178.174 177.584 0.177 0.000 1.193 672 A CA -0.045 52.037 52.037 0.075 0.000 0.713 672 A CB 1.410 20.516 19.000 0.176 0.000 1.305 672 A HN 0.745 nan 8.150 nan 0.000 0.424 673 D N -0.428 120.091 120.400 0.198 0.000 2.277 673 D HA 0.029 4.669 4.640 -0.000 0.000 0.208 673 D C 0.723 177.191 176.300 0.281 0.000 0.962 673 D CA 1.763 55.907 54.000 0.240 0.000 0.865 673 D CB -0.257 40.661 40.800 0.197 0.000 0.939 673 D HN 0.736 nan 8.370 nan 0.000 0.510 674 T N -4.989 109.642 114.554 0.129 0.000 2.896 674 T HA 0.476 4.826 4.350 -0.000 0.000 0.297 674 T C -2.483 171.995 174.700 -0.371 0.000 1.108 674 T CA -1.753 60.179 62.100 -0.280 0.000 1.004 674 T CB 2.463 71.112 68.868 -0.366 0.000 1.159 674 T HN -0.399 nan 8.240 nan 0.000 0.499 675 P HA -0.015 nan 4.420 nan 0.000 0.217 675 P C 1.078 178.277 177.300 -0.169 0.000 1.150 675 P CA 1.050 63.920 63.100 -0.385 0.000 0.832 675 P CB 0.118 31.549 31.700 -0.448 0.000 0.787 676 E N -1.342 118.721 120.200 -0.228 0.000 2.031 676 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 676 E C 2.011 178.605 176.600 -0.010 0.000 0.994 676 E CA 1.371 57.683 56.400 -0.146 0.000 0.800 676 E CB -1.176 28.389 29.700 -0.224 0.000 0.752 676 E HN 0.501 nan 8.360 nan 0.000 0.447 677 H N -0.294 118.768 119.070 -0.013 0.000 2.352 677 H HA -0.059 4.497 4.556 -0.000 0.000 0.299 677 H C 2.005 177.387 175.328 0.091 0.000 1.097 677 H CA 0.716 56.790 56.048 0.044 0.000 1.311 677 H CB -0.013 29.783 29.762 0.056 0.000 1.377 677 H HN 0.230 nan 8.280 nan 0.000 0.504 678 A N 0.952 123.896 122.820 0.206 0.000 1.902 678 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 678 A C 2.184 179.870 177.584 0.170 0.000 1.181 678 A CA 1.812 53.964 52.037 0.192 0.000 0.623 678 A CB -0.443 18.662 19.000 0.175 0.000 0.818 678 A HN 0.522 nan 8.150 nan 0.000 0.443 679 E N -0.363 119.906 120.200 0.116 0.000 2.031 679 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 679 E C 2.308 178.978 176.600 0.116 0.000 0.994 679 E CA 1.196 57.653 56.400 0.095 0.000 0.800 679 E CB -0.098 29.619 29.700 0.028 0.000 0.752 679 E HN 0.592 nan 8.360 nan 0.000 0.447 680 R N 0.011 120.574 120.500 0.105 0.000 2.081 680 R HA -0.120 4.220 4.340 -0.000 0.000 0.235 680 R C 2.383 178.767 176.300 0.140 0.000 1.131 680 R CA 1.194 57.358 56.100 0.106 0.000 0.960 680 R CB -0.295 30.064 30.300 0.099 0.000 0.856 680 R HN 0.169 nan 8.270 nan 0.000 0.436 681 A N 1.190 124.106 122.820 0.160 0.000 1.898 681 A HA -0.052 4.268 4.320 -0.000 0.000 0.216 681 A C 2.374 180.038 177.584 0.135 0.000 1.181 681 A CA 1.491 53.615 52.037 0.145 0.000 0.620 681 A CB -0.656 18.521 19.000 0.294 0.000 0.819 681 A HN 0.379 nan 8.150 nan 0.000 0.442 682 A N -1.327 121.602 122.820 0.181 0.000 1.972 682 A HA -0.237 4.083 4.320 -0.000 0.000 0.219 682 A C 2.090 179.742 177.584 0.114 0.000 1.169 682 A CA 1.712 53.845 52.037 0.159 0.000 0.635 682 A CB -0.942 18.166 19.000 0.180 0.000 0.810 682 A HN 0.755 nan 8.150 nan 0.000 0.446 683 H N 0.174 119.273 119.070 0.048 0.000 2.491 683 H HA -0.036 4.520 4.556 -0.000 0.000 0.290 683 H C 1.513 176.844 175.328 0.005 0.000 1.050 683 H CA 1.910 57.977 56.048 0.031 0.000 1.309 683 H CB 0.204 29.982 29.762 0.027 0.000 1.392 683 H HN 0.398 nan 8.280 nan 0.000 0.554 684 V N -0.620 119.283 119.914 -0.017 0.000 3.596 684 V HA 0.217 4.337 4.120 -0.000 0.000 0.289 684 V C 0.841 176.852 176.094 -0.140 0.000 1.336 684 V CA -0.279 61.968 62.300 -0.087 0.000 1.137 684 V CB -0.139 31.663 31.823 -0.034 0.000 0.966 684 V HN -0.054 nan 8.190 nan 0.000 0.428 685 V N 2.435 122.260 119.914 -0.148 0.000 2.479 685 V HA 0.187 4.307 4.120 -0.000 0.000 0.281 685 V C 0.447 176.420 176.094 -0.201 0.000 1.031 685 V CA 0.096 62.260 62.300 -0.226 0.000 1.038 685 V CB 0.939 32.597 31.823 -0.275 0.000 0.981 685 V HN 0.587 nan 8.190 nan 0.000 0.478 686 K N 4.884 125.160 120.400 -0.207 0.000 2.234 686 K HA 0.568 4.888 4.320 -0.000 0.000 0.277 686 K C -1.218 175.269 176.600 -0.188 0.000 1.038 686 K CA -0.469 55.722 56.287 -0.160 0.000 0.888 686 K CB 1.392 33.814 32.500 -0.130 0.000 1.091 686 K HN 0.497 nan 8.250 nan 0.000 0.467 687 V N 3.624 123.430 119.914 -0.181 0.000 2.417 687 V HA 0.245 4.365 4.120 -0.000 0.000 0.291 687 V C -0.231 175.641 176.094 -0.370 0.000 1.024 687 V CA -0.773 61.322 62.300 -0.340 0.000 0.861 687 V CB 1.782 33.301 31.823 -0.505 0.000 0.985 687 V HN 0.802 nan 8.190 nan 0.000 0.436 688 T N 5.287 119.636 114.554 -0.341 0.000 2.744 688 T HA 0.608 4.958 4.350 -0.000 0.000 0.291 688 T C -0.786 173.769 174.700 -0.240 0.000 0.957 688 T CA 0.039 62.029 62.100 -0.184 0.000 1.002 688 T CB 0.202 69.010 68.868 -0.100 0.000 0.919 688 T HN 0.442 nan 8.240 nan 0.000 0.468 689 Y N 1.113 121.406 120.300 -0.012 0.000 2.602 689 Y HA 0.582 5.132 4.550 -0.000 0.000 0.330 689 Y C 0.661 176.555 175.900 -0.010 0.000 1.114 689 Y CA -1.381 56.716 58.100 -0.006 0.000 1.182 689 Y CB 1.343 39.805 38.460 0.004 0.000 1.305 689 Y HN 0.504 nan 8.280 nan 0.000 0.502 690 E N 1.559 121.865 120.200 0.177 0.000 2.373 690 E HA 0.180 4.530 4.350 -0.000 0.000 0.251 690 E C -1.592 175.036 176.600 0.048 0.000 0.923 690 E CA -0.693 55.754 56.400 0.077 0.000 0.798 690 E CB 0.640 30.362 29.700 0.036 0.000 1.303 690 E HN 0.607 nan 8.360 nan 0.000 0.412 691 D N 3.119 123.533 120.400 0.024 0.000 2.478 691 D HA 0.105 4.745 4.640 -0.000 0.000 0.234 691 D C -0.024 176.230 176.300 -0.077 0.000 1.154 691 D CA 0.746 54.733 54.000 -0.022 0.000 0.874 691 D CB 0.831 41.617 40.800 -0.022 0.000 1.198 691 D HN 0.410 nan 8.370 nan 0.000 0.455 692 L N 2.116 123.243 121.223 -0.161 0.000 2.354 692 L HA 0.364 4.703 4.340 -0.000 0.000 0.264 692 L C -2.271 174.500 176.870 -0.165 0.000 1.008 692 L CA -2.087 52.584 54.840 -0.282 0.000 0.819 692 L CB 2.028 43.649 42.059 -0.730 0.000 1.339 692 L HN 0.093 nan 8.230 nan 0.000 0.420 693 P HA 0.082 nan 4.420 nan 0.000 0.262 693 P C -1.152 176.243 177.300 0.158 0.000 1.182 693 P CA 0.112 63.225 63.100 0.022 0.000 0.761 693 P CB 0.611 32.321 31.700 0.016 0.000 0.795 694 A N 3.856 126.745 122.820 0.115 0.000 2.355 694 A HA 0.728 5.048 4.320 -0.000 0.000 0.324 694 A C -0.598 177.000 177.584 0.025 0.000 1.117 694 A CA -0.730 51.381 52.037 0.124 0.000 0.785 694 A CB 0.851 19.909 19.000 0.095 0.000 1.254 694 A HN 0.478 nan 8.150 nan 0.000 0.453 695 I N 3.540 124.094 120.570 -0.025 0.000 2.420 695 I HA 0.216 4.386 4.170 -0.000 0.000 0.282 695 I C -0.042 176.025 176.117 -0.083 0.000 1.019 695 I CA -0.383 60.875 61.300 -0.070 0.000 1.130 695 I CB 1.260 39.192 38.000 -0.113 0.000 1.262 695 I HN 0.575 nan 8.210 nan 0.000 0.454 696 I N 2.766 123.293 120.570 -0.073 0.000 2.681 696 I HA 0.022 4.192 4.170 -0.000 0.000 0.247 696 I C 1.599 177.656 176.117 -0.099 0.000 1.091 696 I CA 1.080 62.329 61.300 -0.086 0.000 1.442 696 I CB -0.682 37.276 38.000 -0.069 0.000 1.219 696 I HN 0.512 nan 8.210 nan 0.000 0.451 697 T N -1.025 113.480 114.554 -0.081 0.000 2.847 697 T HA 0.453 4.803 4.350 -0.000 0.000 0.279 697 T C 1.440 176.108 174.700 -0.052 0.000 0.984 697 T CA -0.455 61.605 62.100 -0.067 0.000 0.988 697 T CB 1.720 70.551 68.868 -0.062 0.000 1.040 697 T HN 0.060 nan 8.240 nan 0.000 0.528 698 I N 0.529 121.092 120.570 -0.011 0.000 2.226 698 I HA -0.147 4.023 4.170 -0.000 0.000 0.245 698 I C 2.610 178.699 176.117 -0.047 0.000 1.100 698 I CA 1.459 62.767 61.300 0.013 0.000 1.374 698 I CB -0.391 37.661 38.000 0.087 0.000 1.057 698 I HN 0.720 nan 8.210 nan 0.000 0.413 699 E N 0.894 121.056 120.200 -0.064 0.000 2.051 699 E HA -0.225 4.125 4.350 -0.000 0.000 0.192 699 E C 1.779 178.325 176.600 -0.090 0.000 0.991 699 E CA 1.364 57.712 56.400 -0.087 0.000 0.799 699 E CB -0.243 29.411 29.700 -0.076 0.000 0.748 699 E HN 0.392 nan 8.360 nan 0.000 0.449 700 D N 0.114 120.463 120.400 -0.085 0.000 2.123 700 D HA -0.150 4.489 4.640 -0.000 0.000 0.196 700 D C 1.849 178.066 176.300 -0.137 0.000 0.992 700 D CA 1.570 55.513 54.000 -0.094 0.000 0.833 700 D CB -0.450 40.300 40.800 -0.083 0.000 0.954 700 D HN 0.217 nan 8.370 nan 0.000 0.455 701 A N 0.713 123.437 122.820 -0.159 0.000 1.877 701 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 701 A C 2.406 179.763 177.584 -0.377 0.000 1.186 701 A CA 1.052 52.924 52.037 -0.275 0.000 0.620 701 A CB -0.768 18.099 19.000 -0.222 0.000 0.822 701 A HN 0.208 nan 8.150 nan 0.000 0.443 702 I N -0.605 119.855 120.570 -0.184 0.000 2.179 702 I HA -0.267 3.903 4.170 -0.000 0.000 0.242 702 I C 2.560 178.626 176.117 -0.085 0.000 1.088 702 I CA 1.902 63.169 61.300 -0.055 0.000 1.357 702 I CB -0.285 37.683 38.000 -0.054 0.000 1.051 702 I HN 0.385 nan 8.210 nan 0.000 0.409 703 K N 0.925 121.265 120.400 -0.101 0.000 2.147 703 K HA -0.157 4.163 4.320 -0.000 0.000 0.205 703 K C 1.509 178.053 176.600 -0.094 0.000 1.049 703 K CA 1.396 57.638 56.287 -0.077 0.000 0.936 703 K CB 0.034 32.492 32.500 -0.070 0.000 0.722 703 K HN 0.326 nan 8.250 nan 0.000 0.446 704 N N 0.989 119.597 118.700 -0.153 0.000 2.280 704 N HA -0.074 4.666 4.740 -0.000 0.000 0.192 704 N C -0.338 175.039 175.510 -0.221 0.000 1.109 704 N CA 0.279 53.234 53.050 -0.158 0.000 0.855 704 N CB 0.211 38.605 38.487 -0.156 0.000 0.974 704 N HN 0.239 nan 8.380 nan 0.000 0.482 705 N N 0.698 119.208 118.700 -0.318 0.000 2.740 705 N HA -0.193 4.547 4.740 -0.000 0.000 0.248 705 N C -1.054 174.079 175.510 -0.629 0.000 1.062 705 N CA 0.358 53.169 53.050 -0.399 0.000 0.704 705 N CB -1.346 37.097 38.487 -0.074 0.000 0.968 705 N HN 0.016 nan 8.380 nan 0.000 0.547 706 S N 1.116 116.280 115.700 -0.895 0.000 2.592 706 S HA 0.622 5.092 4.470 -0.000 0.000 0.305 706 S C -0.563 173.544 174.600 -0.822 0.000 1.118 706 S CA -0.516 57.288 58.200 -0.661 0.000 1.075 706 S CB -0.301 62.633 63.200 -0.444 0.000 1.107 706 S HN 0.309 nan 8.310 nan 0.000 0.503 707 F N 2.337 122.174 119.950 -0.189 0.000 2.640 707 F HA 0.514 5.041 4.527 -0.000 0.000 0.324 707 F C -0.674 174.973 175.800 -0.255 0.000 1.077 707 F CA -1.348 56.531 58.000 -0.201 0.000 0.965 707 F CB 1.335 40.300 39.000 -0.058 0.000 1.351 707 F HN 0.280 nan 8.300 nan 0.000 0.487 708 Y N 0.739 121.149 120.300 0.185 0.000 2.328 708 Y HA 0.519 5.068 4.550 -0.000 0.000 0.337 708 Y C 0.693 176.607 175.900 0.024 0.000 0.966 708 Y CA -0.369 57.759 58.100 0.047 0.000 1.136 708 Y CB 1.281 39.727 38.460 -0.024 0.000 1.170 708 Y HN 0.880 nan 8.280 nan 0.000 0.470 709 G N 1.996 110.888 108.800 0.154 0.000 2.752 709 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.234 709 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.234 709 G C -0.306 174.624 174.900 0.049 0.000 1.367 709 G CA -0.327 44.808 45.100 0.059 0.000 0.879 709 G HN 0.914 nan 8.290 nan 0.000 0.563 710 S N -1.016 114.689 115.700 0.009 0.000 2.745 710 S HA 0.660 5.130 4.470 -0.000 0.000 0.292 710 S C 0.270 174.834 174.600 -0.059 0.000 1.133 710 S CA 0.341 58.530 58.200 -0.019 0.000 0.998 710 S CB 1.875 65.071 63.200 -0.007 0.000 1.087 710 S HN 1.203 nan 8.310 nan 0.000 0.551 711 E N -0.109 120.029 120.200 -0.104 0.000 2.481 711 E HA 0.097 4.447 4.350 -0.000 0.000 0.263 711 E C -1.104 175.435 176.600 -0.101 0.000 0.992 711 E CA -0.098 56.217 56.400 -0.141 0.000 0.938 711 E CB 0.286 29.905 29.700 -0.134 0.000 0.933 711 E HN 0.535 nan 8.360 nan 0.000 0.453 712 L N 4.299 125.431 121.223 -0.152 0.000 2.334 712 L HA 0.513 4.852 4.340 -0.000 0.000 0.275 712 L C -0.071 176.739 176.870 -0.100 0.000 1.036 712 L CA -0.476 54.247 54.840 -0.195 0.000 0.807 712 L CB 1.323 43.144 42.059 -0.396 0.000 1.231 712 L HN 0.588 nan 8.230 nan 0.000 0.438 713 K N 3.930 124.339 120.400 0.013 0.000 2.578 713 K HA 0.509 4.829 4.320 -0.000 0.000 0.269 713 K C -2.001 174.757 176.600 0.263 0.000 0.941 713 K CA -0.555 55.802 56.287 0.116 0.000 0.847 713 K CB 2.143 34.690 32.500 0.077 0.000 1.397 713 K HN 0.509 nan 8.250 nan 0.000 0.422 714 I N 2.573 123.289 120.570 0.245 0.000 2.478 714 I HA 0.309 4.479 4.170 -0.000 0.000 0.287 714 I C -0.944 175.300 176.117 0.211 0.000 1.042 714 I CA -0.581 60.876 61.300 0.261 0.000 1.067 714 I CB 2.147 40.330 38.000 0.305 0.000 1.233 714 I HN 0.611 nan 8.210 nan 0.000 0.431 715 E N 6.885 127.186 120.200 0.169 0.000 2.275 715 E HA 0.501 4.851 4.350 -0.000 0.000 0.270 715 E C -1.508 175.159 176.600 0.113 0.000 0.882 715 E CA -0.800 55.679 56.400 0.132 0.000 0.758 715 E CB 2.597 32.357 29.700 0.100 0.000 1.195 715 E HN 0.505 nan 8.360 nan 0.000 0.419 716 K N 3.007 123.467 120.400 0.100 0.000 2.498 716 K HA 0.647 4.967 4.320 -0.000 0.000 0.254 716 K C -0.263 176.360 176.600 0.038 0.000 0.933 716 K CA 0.182 56.513 56.287 0.074 0.000 0.806 716 K CB 1.691 34.249 32.500 0.095 0.000 1.301 716 K HN 0.739 nan 8.250 nan 0.000 0.432 717 G N 2.146 110.959 108.800 0.020 0.000 2.632 717 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.224 717 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.224 717 G C -1.331 173.568 174.900 -0.002 0.000 1.341 717 G CA -0.057 45.042 45.100 -0.002 0.000 0.880 717 G HN 0.676 nan 8.290 nan 0.000 0.566 718 D N 0.551 120.939 120.400 -0.019 0.000 2.446 718 D HA 0.477 5.117 4.640 -0.000 0.000 0.251 718 D C 1.809 178.094 176.300 -0.026 0.000 1.137 718 D CA -0.456 53.539 54.000 -0.009 0.000 0.890 718 D CB 0.735 41.530 40.800 -0.009 0.000 1.071 718 D HN 0.361 nan 8.370 nan 0.000 0.528 719 L N 2.975 124.199 121.223 0.002 0.000 1.989 719 L HA -0.173 4.167 4.340 -0.000 0.000 0.211 719 L C 2.555 179.492 176.870 0.111 0.000 1.071 719 L CA 1.171 56.015 54.840 0.006 0.000 0.749 719 L CB -0.247 41.904 42.059 0.152 0.000 0.890 719 L HN 0.371 nan 8.230 nan 0.000 0.431 720 K N 0.398 120.890 120.400 0.152 0.000 2.059 720 K HA -0.286 4.034 4.320 -0.000 0.000 0.212 720 K C 2.347 179.009 176.600 0.103 0.000 1.050 720 K CA 1.810 58.191 56.287 0.157 0.000 0.927 720 K CB -0.117 32.434 32.500 0.085 0.000 0.714 720 K HN 0.058 nan 8.250 nan 0.000 0.447 721 K N 0.083 120.506 120.400 0.038 0.000 2.057 721 K HA -0.115 4.205 4.320 -0.000 0.000 0.207 721 K C 2.074 178.657 176.600 -0.029 0.000 1.049 721 K CA 1.741 58.031 56.287 0.005 0.000 0.931 721 K CB -0.510 31.984 32.500 -0.011 0.000 0.714 721 K HN 0.362 nan 8.250 nan 0.000 0.440 722 G N 0.343 109.086 108.800 -0.094 0.000 2.446 722 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.217 722 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.217 722 G C 1.452 176.213 174.900 -0.232 0.000 1.168 722 G CA 0.640 45.612 45.100 -0.214 0.000 0.771 722 G HN 0.308 nan 8.290 nan 0.000 0.551 723 F N 1.420 121.344 119.950 -0.043 0.000 2.293 723 F HA -0.003 4.524 4.527 -0.000 0.000 0.300 723 F C 2.980 178.747 175.800 -0.055 0.000 1.086 723 F CA 1.009 58.977 58.000 -0.053 0.000 1.375 723 F CB 0.178 39.149 39.000 -0.048 0.000 1.045 723 F HN 0.069 nan 8.300 nan 0.000 0.516 724 S N -0.141 115.625 115.700 0.110 0.000 2.406 724 S HA -0.179 4.291 4.470 -0.000 0.000 0.228 724 S C 1.777 176.382 174.600 0.009 0.000 1.020 724 S CA 1.372 59.602 58.200 0.049 0.000 0.965 724 S CB -0.404 62.815 63.200 0.033 0.000 0.798 724 S HN 0.617 nan 8.310 nan 0.000 0.488 725 E N 1.357 121.549 120.200 -0.014 0.000 2.447 725 E HA 0.357 4.707 4.350 -0.000 0.000 0.195 725 E C 0.610 177.181 176.600 -0.048 0.000 1.028 725 E CA 0.107 56.487 56.400 -0.033 0.000 0.876 725 E CB -0.019 29.655 29.700 -0.042 0.000 0.885 725 E HN 0.331 nan 8.360 nan 0.000 0.500 726 A N 1.636 124.424 122.820 -0.053 0.000 2.462 726 A HA 0.016 4.336 4.320 -0.000 0.000 0.243 726 A C 0.402 177.917 177.584 -0.114 0.000 1.076 726 A CA -0.165 51.818 52.037 -0.090 0.000 0.773 726 A CB 0.403 19.353 19.000 -0.084 0.000 1.010 726 A HN 0.119 nan 8.150 nan 0.000 0.493 727 D N 0.648 120.949 120.400 -0.164 0.000 2.137 727 D HA -0.013 4.627 4.640 -0.000 0.000 0.202 727 D C 0.006 176.155 176.300 -0.252 0.000 0.970 727 D CA 1.225 55.127 54.000 -0.165 0.000 0.837 727 D CB 0.124 40.843 40.800 -0.134 0.000 0.981 727 D HN 0.602 nan 8.370 nan 0.000 0.475 728 N N -0.138 118.265 118.700 -0.496 0.000 2.265 728 N HA 0.395 5.135 4.740 -0.000 0.000 0.300 728 N C -1.017 174.103 175.510 -0.649 0.000 1.148 728 N CA -0.445 52.222 53.050 -0.640 0.000 0.772 728 N CB 3.232 41.135 38.487 -0.974 0.000 1.434 728 N HN -0.260 nan 8.380 nan 0.000 0.481 729 V N 1.187 120.930 119.914 -0.285 0.000 2.686 729 V HA 0.454 4.574 4.120 -0.000 0.000 0.306 729 V C -0.563 175.581 176.094 0.083 0.000 1.065 729 V CA -0.713 61.566 62.300 -0.034 0.000 0.894 729 V CB 2.272 34.095 31.823 -0.001 0.000 1.004 729 V HN 0.358 nan 8.190 nan 0.000 0.424 730 V N 3.343 123.399 119.914 0.237 0.000 2.588 730 V HA 0.630 4.750 4.120 -0.000 0.000 0.304 730 V C -0.086 176.065 176.094 0.095 0.000 1.042 730 V CA -0.212 62.215 62.300 0.213 0.000 0.877 730 V CB 2.312 34.352 31.823 0.361 0.000 0.996 730 V HN 0.883 nan 8.190 nan 0.000 0.425 731 S N 1.970 117.647 115.700 -0.039 0.000 2.568 731 S HA 0.976 5.445 4.470 -0.000 0.000 0.302 731 S C 0.122 174.490 174.600 -0.386 0.000 1.082 731 S CA -0.069 57.990 58.200 -0.234 0.000 1.009 731 S CB 1.986 65.079 63.200 -0.178 0.000 1.069 731 S HN 1.251 nan 8.310 nan 0.000 0.500 732 G N 0.760 109.064 108.800 -0.828 0.000 2.488 732 G HA2 0.542 4.502 3.960 -0.000 0.000 0.301 732 G HA3 0.542 4.502 3.960 -0.000 0.000 0.301 732 G C -2.113 172.436 174.900 -0.585 0.000 1.339 732 G CA -0.585 44.114 45.100 -0.668 0.000 0.803 732 G HN 0.623 nan 8.290 nan 0.000 0.482 733 E N -1.087 119.086 120.200 -0.045 0.000 2.317 733 E HA 0.704 5.054 4.350 -0.000 0.000 0.270 733 E C -1.964 174.851 176.600 0.358 0.000 0.885 733 E CA -0.768 55.734 56.400 0.169 0.000 0.760 733 E CB 2.555 32.316 29.700 0.102 0.000 1.227 733 E HN 0.497 nan 8.360 nan 0.000 0.434 734 L N 3.801 125.265 121.223 0.403 0.000 2.434 734 L HA 0.560 4.900 4.340 -0.000 0.000 0.260 734 L C -2.099 175.030 176.870 0.431 0.000 0.983 734 L CA -0.632 54.442 54.840 0.389 0.000 0.820 734 L CB 1.932 44.181 42.059 0.316 0.000 1.361 734 L HN 0.669 nan 8.230 nan 0.000 0.410 735 Y N 4.493 124.969 120.300 0.293 0.000 2.477 735 Y HA 0.731 5.281 4.550 -0.000 0.000 0.347 735 Y C -1.474 174.590 175.900 0.273 0.000 0.981 735 Y CA -0.913 57.348 58.100 0.269 0.000 1.033 735 Y CB 1.751 40.330 38.460 0.198 0.000 1.245 735 Y HN 0.622 nan 8.280 nan 0.000 0.455 736 I N 5.443 125.721 120.570 -0.487 0.000 2.478 736 I HA 0.655 4.825 4.170 -0.000 0.000 0.287 736 I C -0.020 175.679 176.117 -0.697 0.000 1.042 736 I CA -0.539 60.516 61.300 -0.407 0.000 1.067 736 I CB 1.109 38.969 38.000 -0.232 0.000 1.233 736 I HN 0.852 nan 8.210 nan 0.000 0.431 737 G N 4.422 112.987 108.800 -0.392 0.000 2.606 737 G HA2 0.438 4.397 3.960 -0.000 0.000 0.252 737 G HA3 0.438 4.397 3.960 -0.000 0.000 0.252 737 G C 0.423 175.236 174.900 -0.144 0.000 1.206 737 G CA 0.051 45.054 45.100 -0.162 0.000 0.861 737 G HN 0.851 nan 8.290 nan 0.000 0.561 738 G N -1.430 107.356 108.800 -0.024 0.000 2.468 738 G HA2 0.469 4.429 3.960 -0.000 0.000 0.264 738 G HA3 0.469 4.429 3.960 -0.000 0.000 0.264 738 G C -0.117 174.727 174.900 -0.094 0.000 1.460 738 G CA 0.013 45.089 45.100 -0.040 0.000 1.060 738 G HN 0.782 nan 8.290 nan 0.000 0.543 739 Q N -1.466 118.283 119.800 -0.084 0.000 2.468 739 Q HA 0.157 4.497 4.340 -0.000 0.000 0.263 739 Q C -2.284 173.758 176.000 0.069 0.000 0.979 739 Q CA -0.653 55.113 55.803 -0.061 0.000 0.932 739 Q CB 2.062 30.519 28.738 -0.469 0.000 1.462 739 Q HN 0.619 nan 8.270 nan 0.000 0.403 740 D N 1.485 121.918 120.400 0.055 0.000 2.198 740 D HA 0.142 4.782 4.640 -0.000 0.000 0.245 740 D C 0.351 176.716 176.300 0.109 0.000 1.079 740 D CA -0.007 53.941 54.000 -0.087 0.000 0.854 740 D CB 0.895 41.401 40.800 -0.491 0.000 1.148 740 D HN 0.729 nan 8.370 nan 0.000 0.456 741 H N 3.268 122.276 119.070 -0.103 0.000 2.390 741 H HA -0.123 4.433 4.556 -0.000 0.000 0.298 741 H C 0.631 175.735 175.328 -0.372 0.000 1.106 741 H CA 1.020 56.727 56.048 -0.570 0.000 1.297 741 H CB -0.306 28.977 29.762 -0.798 0.000 1.375 741 H HN 0.522 nan 8.280 nan 0.000 0.509 742 F N 0.468 120.149 119.950 -0.449 0.000 3.004 742 F HA -0.280 4.247 4.527 -0.000 0.000 0.264 742 F C -0.755 174.947 175.800 -0.165 0.000 0.979 742 F CA -0.561 57.287 58.000 -0.253 0.000 0.896 742 F CB -1.646 37.364 39.000 0.018 0.000 0.813 742 F HN 0.127 nan 8.300 nan 0.000 0.804 743 Y N -0.160 120.245 120.300 0.175 0.000 2.511 743 Y HA 0.184 4.734 4.550 -0.000 0.000 0.332 743 Y C 1.130 177.045 175.900 0.024 0.000 1.177 743 Y CA -1.361 56.891 58.100 0.253 0.000 1.422 743 Y CB 0.051 38.558 38.460 0.078 0.000 1.271 743 Y HN 0.090 nan 8.280 nan 0.000 0.550 744 L N 1.078 122.464 121.223 0.270 0.000 2.127 744 L HA -0.118 4.222 4.340 -0.000 0.000 0.211 744 L C 1.031 177.847 176.870 -0.089 0.000 1.089 744 L CA 1.545 56.509 54.840 0.205 0.000 0.757 744 L CB -0.591 41.697 42.059 0.382 0.000 0.899 744 L HN 0.869 nan 8.230 nan 0.000 0.434 745 E N 0.606 120.494 120.200 -0.519 0.000 2.146 745 E HA 0.175 4.525 4.350 -0.000 0.000 0.282 745 E C -0.082 176.253 176.600 -0.442 0.000 0.989 745 E CA -0.325 55.472 56.400 -1.006 0.000 0.799 745 E CB 1.082 29.906 29.700 -1.460 0.000 1.088 745 E HN 0.227 nan 8.360 nan 0.000 0.397 746 T N 1.505 115.903 114.554 -0.260 0.000 2.698 746 T HA 0.117 4.467 4.350 -0.000 0.000 0.295 746 T C 0.623 175.135 174.700 -0.314 0.000 1.007 746 T CA -0.572 61.437 62.100 -0.151 0.000 0.980 746 T CB 0.391 69.281 68.868 0.037 0.000 1.036 746 T HN 0.449 nan 8.240 nan 0.000 0.526 747 H N -0.968 117.969 119.070 -0.222 0.000 2.897 747 H HA 0.335 4.891 4.556 -0.000 0.000 0.347 747 H C 0.002 175.278 175.328 -0.087 0.000 1.068 747 H CA 0.136 56.069 56.048 -0.193 0.000 1.426 747 H CB 0.546 30.242 29.762 -0.109 0.000 1.410 747 H HN 0.719 nan 8.280 nan 0.000 0.597 748 C N 2.770 122.095 119.300 0.042 0.000 3.090 748 C HA 0.422 4.882 4.460 -0.000 0.000 0.347 748 C C -0.765 174.266 174.990 0.068 0.000 1.147 748 C CA -0.194 58.858 59.018 0.058 0.000 1.305 748 C CB 1.302 29.062 27.740 0.034 0.000 1.692 748 C HN 0.889 nan 8.230 nan 0.000 0.506 749 T N 5.414 120.020 114.554 0.086 0.000 2.956 749 T HA 0.589 4.939 4.350 -0.000 0.000 0.312 749 T C -1.206 173.557 174.700 0.105 0.000 1.151 749 T CA -0.234 61.922 62.100 0.093 0.000 1.024 749 T CB 1.195 70.109 68.868 0.077 0.000 1.140 749 T HN 0.593 nan 8.240 nan 0.000 0.473 750 I N 2.220 122.881 120.570 0.152 0.000 2.465 750 I HA 0.712 4.882 4.170 -0.000 0.000 0.291 750 I C -0.236 176.001 176.117 0.199 0.000 1.014 750 I CA -0.991 60.411 61.300 0.169 0.000 1.093 750 I CB 1.742 39.873 38.000 0.219 0.000 1.267 750 I HN 0.713 nan 8.210 nan 0.000 0.431 751 A N 7.773 130.676 122.820 0.139 0.000 2.319 751 A HA 0.743 5.063 4.320 -0.000 0.000 0.310 751 A C -0.818 176.830 177.584 0.108 0.000 1.152 751 A CA -0.453 51.649 52.037 0.108 0.000 0.783 751 A CB 0.787 19.829 19.000 0.069 0.000 1.184 751 A HN 0.505 nan 8.150 nan 0.000 0.474 752 I N 4.818 125.454 120.570 0.110 0.000 2.330 752 I HA 0.316 4.486 4.170 -0.000 0.000 0.286 752 I C -2.422 173.704 176.117 0.014 0.000 1.025 752 I CA -2.555 58.785 61.300 0.067 0.000 1.197 752 I CB 1.076 39.154 38.000 0.129 0.000 1.358 752 I HN 0.377 nan 8.210 nan 0.000 0.467 753 P HA 0.245 nan 4.420 nan 0.000 0.286 753 P C 0.049 177.327 177.300 -0.037 0.000 1.269 753 P CA -0.469 62.630 63.100 -0.000 0.000 0.787 753 P CB 1.688 33.397 31.700 0.015 0.000 0.920 754 K N 2.290 122.676 120.400 -0.024 0.000 2.243 754 K HA 0.095 4.415 4.320 -0.000 0.000 0.201 754 K C 1.547 178.123 176.600 -0.041 0.000 1.051 754 K CA 1.010 57.274 56.287 -0.039 0.000 0.970 754 K CB -0.821 31.665 32.500 -0.023 0.000 0.755 754 K HN 0.834 nan 8.250 nan 0.000 0.465 755 G N 1.521 110.306 108.800 -0.025 0.000 2.176 755 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.253 755 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.253 755 G C -0.266 174.624 174.900 -0.015 0.000 0.979 755 G CA 0.087 45.170 45.100 -0.028 0.000 0.641 755 G HN 0.358 nan 8.290 nan 0.000 0.530 756 E N 0.383 120.579 120.200 -0.008 0.000 2.191 756 E HA 0.451 4.801 4.350 -0.000 0.000 0.263 756 E C 0.304 176.907 176.600 0.005 0.000 0.881 756 E CA -0.803 55.594 56.400 -0.004 0.000 0.757 756 E CB 0.877 30.571 29.700 -0.009 0.000 1.147 756 E HN 0.180 nan 8.360 nan 0.000 0.414 757 E N 1.474 121.679 120.200 0.009 0.000 2.604 757 E HA -0.299 4.051 4.350 -0.000 0.000 0.255 757 E C 0.691 177.302 176.600 0.018 0.000 1.164 757 E CA 1.204 57.610 56.400 0.011 0.000 0.737 757 E CB -1.314 28.387 29.700 0.003 0.000 1.317 757 E HN 1.128 nan 8.360 nan 0.000 0.417 758 G N 0.070 108.891 108.800 0.036 0.000 2.162 758 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.260 758 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.260 758 G C 0.115 175.034 174.900 0.032 0.000 0.976 758 G CA 0.593 45.724 45.100 0.051 0.000 0.655 758 G HN 0.395 nan 8.290 nan 0.000 0.533 759 E N -0.309 119.901 120.200 0.017 0.000 2.414 759 E HA 0.441 4.790 4.350 -0.000 0.000 0.263 759 E C 0.347 176.951 176.600 0.006 0.000 1.000 759 E CA 0.491 56.893 56.400 0.003 0.000 0.914 759 E CB 0.525 30.222 29.700 -0.005 0.000 0.948 759 E HN 0.452 nan 8.360 nan 0.000 0.444 760 M N 2.666 122.262 119.600 -0.006 0.000 2.371 760 M HA 0.209 4.689 4.480 -0.000 0.000 0.287 760 M C -1.635 174.641 176.300 -0.039 0.000 1.149 760 M CA -0.396 54.900 55.300 -0.008 0.000 0.929 760 M CB 2.030 34.635 32.600 0.007 0.000 1.683 760 M HN 0.404 nan 8.290 nan 0.000 0.470 761 E N 4.158 124.329 120.200 -0.049 0.000 2.165 761 E HA 0.606 4.956 4.350 -0.000 0.000 0.266 761 E C -2.026 174.465 176.600 -0.180 0.000 0.889 761 E CA -0.639 55.679 56.400 -0.136 0.000 0.756 761 E CB 1.348 30.976 29.700 -0.120 0.000 1.131 761 E HN 0.579 nan 8.360 nan 0.000 0.411 762 L N 4.144 125.199 121.223 -0.280 0.000 2.362 762 L HA 0.506 4.846 4.340 -0.000 0.000 0.271 762 L C -1.020 175.597 176.870 -0.423 0.000 1.002 762 L CA -0.488 54.225 54.840 -0.212 0.000 0.818 762 L CB 1.205 43.219 42.059 -0.074 0.000 1.298 762 L HN 0.494 nan 8.230 nan 0.000 0.420 763 F N 2.095 122.054 119.950 0.016 0.000 2.402 763 F HA 0.713 5.240 4.527 -0.000 0.000 0.355 763 F C -0.122 175.681 175.800 0.004 0.000 1.123 763 F CA -0.863 57.142 58.000 0.009 0.000 1.021 763 F CB 1.604 40.613 39.000 0.016 0.000 1.160 763 F HN 0.028 nan 8.300 nan 0.000 0.451 764 V N 1.416 121.388 119.914 0.096 0.000 2.789 764 V HA 0.380 4.500 4.120 -0.000 0.000 0.311 764 V C -0.287 175.817 176.094 0.016 0.000 1.073 764 V CA -1.037 61.294 62.300 0.051 0.000 0.921 764 V CB 2.161 33.989 31.823 0.008 0.000 1.009 764 V HN 0.661 nan 8.190 nan 0.000 0.426 765 S N 2.629 118.320 115.700 -0.014 0.000 3.036 765 S HA 0.486 4.956 4.470 -0.000 0.000 0.301 765 S C -0.170 174.354 174.600 -0.127 0.000 1.205 765 S CA -0.005 58.143 58.200 -0.086 0.000 0.999 765 S CB -0.393 62.714 63.200 -0.154 0.000 1.337 765 S HN 1.005 nan 8.310 nan 0.000 0.515 766 T N 2.936 117.431 114.554 -0.099 0.000 2.894 766 T HA 0.349 4.699 4.350 -0.000 0.000 0.309 766 T C 0.151 174.797 174.700 -0.090 0.000 1.208 766 T CA -0.562 61.480 62.100 -0.097 0.000 1.016 766 T CB 1.623 70.457 68.868 -0.056 0.000 1.192 766 T HN 0.518 nan 8.240 nan 0.000 0.491 767 Q N 1.681 121.432 119.800 -0.082 0.000 2.360 767 Q HA 0.269 4.609 4.340 -0.000 0.000 0.202 767 Q C 0.169 176.155 176.000 -0.023 0.000 0.915 767 Q CA -0.031 55.740 55.803 -0.055 0.000 0.943 767 Q CB 0.293 29.005 28.738 -0.043 0.000 1.064 767 Q HN 0.319 nan 8.270 nan 0.000 0.511 768 N N 0.086 118.762 118.700 -0.041 0.000 2.790 768 N HA 0.280 5.020 4.740 -0.000 0.000 0.256 768 N C -0.264 175.200 175.510 -0.077 0.000 1.409 768 N CA -0.036 52.985 53.050 -0.049 0.000 0.799 768 N CB 1.052 39.499 38.487 -0.066 0.000 1.170 768 N HN 0.121 nan 8.380 nan 0.000 0.507 769 A N 2.707 125.490 122.820 -0.061 0.000 1.933 769 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 769 A C 2.135 179.674 177.584 -0.075 0.000 1.175 769 A CA 1.096 53.092 52.037 -0.069 0.000 0.628 769 A CB -0.291 18.672 19.000 -0.062 0.000 0.814 769 A HN 0.671 nan 8.150 nan 0.000 0.444 770 M N -0.913 118.649 119.600 -0.064 0.000 2.065 770 M HA -0.174 4.306 4.480 -0.000 0.000 0.259 770 M C 1.789 178.023 176.300 -0.110 0.000 1.069 770 M CA 1.926 57.189 55.300 -0.062 0.000 1.110 770 M CB -0.158 32.422 32.600 -0.034 0.000 1.328 770 M HN 0.130 nan 8.290 nan 0.000 0.405 771 K N -0.231 120.054 120.400 -0.191 0.000 2.148 771 K HA -0.041 4.279 4.320 -0.000 0.000 0.204 771 K C 1.894 178.223 176.600 -0.452 0.000 1.050 771 K CA 1.685 57.727 56.287 -0.408 0.000 0.942 771 K CB -0.736 31.412 32.500 -0.587 0.000 0.724 771 K HN 0.455 nan 8.250 nan 0.000 0.446 772 T N 1.590 115.988 114.554 -0.260 0.000 2.708 772 T HA -0.188 4.162 4.350 -0.000 0.000 0.266 772 T C 1.917 176.582 174.700 -0.058 0.000 1.037 772 T CA 1.461 63.473 62.100 -0.147 0.000 1.146 772 T CB -0.061 68.752 68.868 -0.092 0.000 0.865 772 T HN 0.369 nan 8.240 nan 0.000 0.435 773 Q N 0.940 120.703 119.800 -0.061 0.000 2.050 773 Q HA -0.155 4.185 4.340 -0.000 0.000 0.202 773 Q C 2.466 178.474 176.000 0.014 0.000 0.980 773 Q CA 2.060 57.846 55.803 -0.028 0.000 0.840 773 Q CB -0.189 28.525 28.738 -0.039 0.000 0.898 773 Q HN 0.647 nan 8.270 nan 0.000 0.424 774 S N -0.678 115.043 115.700 0.034 0.000 2.406 774 S HA -0.073 4.397 4.470 -0.000 0.000 0.228 774 S C 1.719 176.460 174.600 0.234 0.000 1.020 774 S CA 0.565 58.828 58.200 0.105 0.000 0.965 774 S CB -0.465 62.802 63.200 0.112 0.000 0.798 774 S HN 0.351 nan 8.310 nan 0.000 0.488 775 F N 2.036 121.960 119.950 -0.043 0.000 2.186 775 F HA 0.110 4.637 4.527 -0.000 0.000 0.299 775 F C 2.576 178.337 175.800 -0.066 0.000 1.090 775 F CA -0.340 57.630 58.000 -0.050 0.000 1.307 775 F CB -1.056 37.920 39.000 -0.039 0.000 1.019 775 F HN 0.083 nan 8.300 nan 0.000 0.489 776 V N -0.196 119.800 119.914 0.136 0.000 2.358 776 V HA -0.253 3.866 4.120 -0.000 0.000 0.246 776 V C 2.612 178.698 176.094 -0.015 0.000 1.047 776 V CA 1.650 63.968 62.300 0.030 0.000 1.035 776 V CB -1.344 30.487 31.823 0.013 0.000 0.658 776 V HN 0.308 nan 8.190 nan 0.000 0.452 777 A N -0.252 122.568 122.820 0.000 0.000 1.933 777 A HA -0.265 4.055 4.320 -0.000 0.000 0.218 777 A C 2.339 179.894 177.584 -0.049 0.000 1.175 777 A CA 2.191 54.212 52.037 -0.027 0.000 0.628 777 A CB -0.468 18.525 19.000 -0.012 0.000 0.814 777 A HN 0.526 nan 8.150 nan 0.000 0.444 778 K N -1.008 119.370 120.400 -0.036 0.000 2.057 778 K HA -0.127 4.193 4.320 -0.000 0.000 0.206 778 K C 2.122 178.656 176.600 -0.110 0.000 1.050 778 K CA 1.561 57.804 56.287 -0.073 0.000 0.935 778 K CB -0.223 32.223 32.500 -0.090 0.000 0.715 778 K HN 0.436 nan 8.250 nan 0.000 0.439 779 M N 1.065 120.592 119.600 -0.122 0.000 2.175 779 M HA -0.118 4.362 4.480 -0.000 0.000 0.264 779 M C 1.578 177.763 176.300 -0.191 0.000 1.063 779 M CA 1.551 56.755 55.300 -0.159 0.000 1.119 779 M CB -0.281 32.220 32.600 -0.165 0.000 1.377 779 M HN 0.227 nan 8.290 nan 0.000 0.415 780 L N -0.297 120.810 121.223 -0.194 0.000 2.341 780 L HA 0.125 4.465 4.340 -0.000 0.000 0.214 780 L C 1.279 178.012 176.870 -0.227 0.000 1.115 780 L CA 0.577 55.246 54.840 -0.286 0.000 0.820 780 L CB -0.578 41.336 42.059 -0.241 0.000 0.944 780 L HN 0.600 nan 8.230 nan 0.000 0.452 781 G N 1.217 109.930 108.800 -0.145 0.000 2.212 781 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.255 781 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.255 781 G C -0.054 174.798 174.900 -0.080 0.000 1.062 781 G CA 0.244 45.281 45.100 -0.105 0.000 0.815 781 G HN 0.291 nan 8.290 nan 0.000 0.497 782 V N -3.789 116.082 119.914 -0.071 0.000 3.040 782 V HA 0.961 5.081 4.120 -0.000 0.000 0.312 782 V C -2.259 173.814 176.094 -0.036 0.000 1.115 782 V CA -2.906 59.366 62.300 -0.047 0.000 0.998 782 V CB 1.965 33.763 31.823 -0.041 0.000 1.042 782 V HN 0.061 nan 8.190 nan 0.000 0.433 783 P HA 0.248 nan 4.420 nan 0.000 0.269 783 P C 1.004 178.291 177.300 -0.022 0.000 1.209 783 P CA -0.087 62.998 63.100 -0.024 0.000 0.776 783 P CB 0.944 32.632 31.700 -0.020 0.000 0.876 784 V N 1.829 121.731 119.914 -0.020 0.000 2.469 784 V HA -0.256 3.864 4.120 -0.000 0.000 0.251 784 V C 1.846 177.928 176.094 -0.019 0.000 1.064 784 V CA 2.273 64.563 62.300 -0.017 0.000 1.066 784 V CB -1.354 30.461 31.823 -0.014 0.000 0.667 784 V HN 0.704 nan 8.190 nan 0.000 0.461 785 N N 0.499 119.187 118.700 -0.019 0.000 2.609 785 N HA -0.157 4.583 4.740 -0.000 0.000 0.190 785 N C 1.474 176.973 175.510 -0.018 0.000 1.157 785 N CA 0.813 53.852 53.050 -0.019 0.000 0.918 785 N CB -0.344 38.133 38.487 -0.017 0.000 0.978 785 N HN 0.323 nan 8.380 nan 0.000 0.448 786 R N -0.247 120.242 120.500 -0.019 0.000 2.290 786 R HA 0.260 4.600 4.340 -0.000 0.000 0.197 786 R C -0.096 176.191 176.300 -0.022 0.000 0.913 786 R CA -0.049 56.040 56.100 -0.017 0.000 1.040 786 R CB 0.457 30.749 30.300 -0.014 0.000 0.992 786 R HN 0.240 nan 8.270 nan 0.000 0.500 787 I N 1.932 122.486 120.570 -0.027 0.000 2.354 787 I HA 0.268 4.438 4.170 -0.000 0.000 0.292 787 I C -0.307 175.780 176.117 -0.049 0.000 0.989 787 I CA -1.518 59.761 61.300 -0.035 0.000 1.188 787 I CB 1.387 39.369 38.000 -0.030 0.000 1.342 787 I HN -0.166 nan 8.210 nan 0.000 0.457 788 L N 8.217 129.397 121.223 -0.071 0.000 2.333 788 L HA 0.618 4.958 4.340 -0.000 0.000 0.280 788 L C -0.811 175.972 176.870 -0.145 0.000 1.004 788 L CA -0.365 54.416 54.840 -0.098 0.000 0.820 788 L CB 1.711 43.707 42.059 -0.105 0.000 1.247 788 L HN 0.289 nan 8.230 nan 0.000 0.416 789 V N 5.828 125.661 119.914 -0.135 0.000 2.448 789 V HA 0.626 4.746 4.120 -0.000 0.000 0.295 789 V C -0.224 175.768 176.094 -0.169 0.000 1.025 789 V CA -0.638 61.568 62.300 -0.157 0.000 0.859 789 V CB 1.760 33.522 31.823 -0.103 0.000 0.988 789 V HN 0.711 nan 8.190 nan 0.000 0.431 790 R N 3.229 123.590 120.500 -0.231 0.000 2.480 790 R HA 0.776 5.116 4.340 -0.000 0.000 0.306 790 R C -1.573 174.686 176.300 -0.069 0.000 0.958 790 R CA -0.678 55.320 56.100 -0.169 0.000 0.861 790 R CB 2.455 32.607 30.300 -0.248 0.000 1.171 790 R HN 0.494 nan 8.270 nan 0.000 0.445 791 V N 3.738 123.629 119.914 -0.037 0.000 2.376 791 V HA 0.148 4.268 4.120 -0.000 0.000 0.287 791 V C 0.551 176.648 176.094 0.005 0.000 1.015 791 V CA -0.667 61.628 62.300 -0.008 0.000 0.834 791 V CB 1.398 33.200 31.823 -0.036 0.000 1.001 791 V HN 0.706 nan 8.190 nan 0.000 0.428 792 K N 5.225 125.643 120.400 0.030 0.000 1.991 792 K HA 0.187 4.507 4.320 -0.000 0.000 0.208 792 K C 0.725 177.326 176.600 0.001 0.000 1.038 792 K CA 1.311 57.605 56.287 0.010 0.000 0.943 792 K CB 0.251 32.753 32.500 0.004 0.000 0.736 792 K HN 0.796 nan 8.250 nan 0.000 0.440 793 R N -1.388 119.093 120.500 -0.032 0.000 2.690 793 R HA 0.427 4.767 4.340 -0.000 0.000 0.269 793 R C -1.289 175.003 176.300 -0.012 0.000 1.037 793 R CA -0.816 55.259 56.100 -0.042 0.000 0.877 793 R CB 0.809 31.047 30.300 -0.103 0.000 1.255 793 R HN 0.017 nan 8.270 nan 0.000 0.467 794 M N 0.775 120.372 119.600 -0.006 0.000 2.456 794 M HA 0.403 4.883 4.480 -0.000 0.000 0.324 794 M C 0.447 176.782 176.300 0.059 0.000 1.124 794 M CA -0.709 54.575 55.300 -0.027 0.000 0.959 794 M CB 2.441 34.943 32.600 -0.162 0.000 1.692 794 M HN 0.951 nan 8.290 nan 0.000 0.444 795 G N 1.665 110.459 108.800 -0.010 0.000 3.541 795 G HA2 0.511 4.471 3.960 -0.000 0.000 0.253 795 G HA3 0.511 4.471 3.960 -0.000 0.000 0.253 795 G C 0.280 175.105 174.900 -0.126 0.000 1.017 795 G CA 0.182 45.235 45.100 -0.079 0.000 1.832 795 G HN 1.083 nan 8.290 nan 0.000 0.649 796 G N -1.382 107.328 108.800 -0.150 0.000 2.697 796 G HA2 0.393 4.353 3.960 -0.000 0.000 0.686 796 G HA3 0.393 4.353 3.960 -0.000 0.000 0.686 796 G C 0.458 175.117 174.900 -0.403 0.000 1.179 796 G CA -0.323 44.589 45.100 -0.313 0.000 0.765 796 G HN 1.185 nan 8.290 nan 0.000 0.649 797 G N -0.593 107.791 108.800 -0.694 0.000 2.570 797 G HA2 0.527 4.487 3.960 -0.000 0.000 0.213 797 G HA3 0.527 4.487 3.960 -0.000 0.000 0.213 797 G C 0.857 175.663 174.900 -0.156 0.000 1.391 797 G CA 0.869 45.746 45.100 -0.371 0.000 0.533 797 G HN 1.719 nan 8.290 nan 0.000 1.072 798 F N 1.121 121.072 119.950 0.002 0.000 3.105 798 F HA -0.193 4.334 4.527 -0.000 0.000 0.280 798 F C 1.997 177.799 175.800 0.003 0.000 0.894 798 F CA 0.972 58.964 58.000 -0.014 0.000 0.992 798 F CB -1.489 37.445 39.000 -0.110 0.000 1.047 798 F HN 1.092 nan 8.300 nan 0.000 0.607 799 G N -1.137 107.717 108.800 0.091 0.000 2.284 799 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.230 799 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.230 799 G C 1.183 176.097 174.900 0.024 0.000 1.021 799 G CA 0.120 45.311 45.100 0.153 0.000 0.619 799 G HN 1.213 nan 8.290 nan 0.000 0.510 800 G N 0.080 108.651 108.800 -0.381 0.000 2.559 800 G HA2 0.158 4.117 3.960 -0.000 0.000 0.216 800 G HA3 0.158 4.117 3.960 -0.000 0.000 0.216 800 G C 1.182 176.008 174.900 -0.123 0.000 1.126 800 G CA 1.405 46.074 45.100 -0.719 0.000 0.778 800 G HN 0.538 nan 8.290 nan 0.000 0.543 801 K N -0.288 120.035 120.400 -0.129 0.000 2.478 801 K HA 0.191 4.511 4.320 -0.000 0.000 0.205 801 K C 1.381 177.970 176.600 -0.019 0.000 1.033 801 K CA -0.134 56.101 56.287 -0.085 0.000 1.091 801 K CB 0.709 33.032 32.500 -0.294 0.000 0.844 801 K HN 0.317 nan 8.250 nan 0.000 0.507 802 E N 0.721 120.942 120.200 0.034 0.000 2.112 802 E HA -0.125 4.224 4.350 -0.000 0.000 0.190 802 E C 1.230 177.862 176.600 0.053 0.000 0.979 802 E CA 1.781 58.221 56.400 0.067 0.000 0.814 802 E CB 0.457 30.246 29.700 0.148 0.000 0.762 802 E HN 0.305 nan 8.360 nan 0.000 0.460 803 T N -3.008 111.592 114.554 0.077 0.000 3.336 803 T HA 0.160 4.510 4.350 -0.000 0.000 0.273 803 T C 1.532 176.269 174.700 0.061 0.000 0.932 803 T CA -0.558 61.570 62.100 0.047 0.000 0.995 803 T CB -0.233 68.705 68.868 0.116 0.000 1.213 803 T HN -0.095 nan 8.240 nan 0.000 0.502 804 R N 2.885 123.441 120.500 0.094 0.000 2.303 804 R HA 0.077 4.417 4.340 -0.000 0.000 0.225 804 R C 2.531 178.782 176.300 -0.082 0.000 1.114 804 R CA 1.251 57.374 56.100 0.038 0.000 1.007 804 R CB -1.331 28.998 30.300 0.048 0.000 0.861 804 R HN 0.768 nan 8.270 nan 0.000 0.471 805 S N -0.004 115.715 115.700 0.032 0.000 2.474 805 S HA -0.130 4.340 4.470 -0.000 0.000 0.235 805 S C 1.902 176.507 174.600 0.009 0.000 0.997 805 S CA 1.323 59.563 58.200 0.066 0.000 0.949 805 S CB -0.543 62.762 63.200 0.176 0.000 0.766 805 S HN 0.471 nan 8.310 nan 0.000 0.517 806 T N 1.241 115.806 114.554 0.019 0.000 2.915 806 T HA 0.078 4.428 4.350 -0.000 0.000 0.269 806 T C 1.759 176.503 174.700 0.074 0.000 1.071 806 T CA 0.940 63.082 62.100 0.070 0.000 1.132 806 T CB -0.887 68.092 68.868 0.185 0.000 0.878 806 T HN 0.409 nan 8.240 nan 0.000 0.479 807 L N 0.565 121.811 121.223 0.038 0.000 2.043 807 L HA -0.098 4.242 4.340 -0.000 0.000 0.212 807 L C 2.889 179.779 176.870 0.032 0.000 1.075 807 L CA 1.180 56.040 54.840 0.033 0.000 0.752 807 L CB -0.753 41.311 42.059 0.008 0.000 0.891 807 L HN 0.213 nan 8.230 nan 0.000 0.432 808 V N -1.485 118.435 119.914 0.010 0.000 2.379 808 V HA -0.162 3.958 4.120 -0.000 0.000 0.243 808 V C 2.513 178.638 176.094 0.052 0.000 1.035 808 V CA 1.609 63.936 62.300 0.044 0.000 1.035 808 V CB 0.032 31.882 31.823 0.044 0.000 0.673 808 V HN 0.318 nan 8.190 nan 0.000 0.457 809 S N 0.397 116.123 115.700 0.043 0.000 2.365 809 S HA -0.200 4.270 4.470 -0.000 0.000 0.225 809 S C 2.019 176.637 174.600 0.029 0.000 1.039 809 S CA 1.751 59.975 58.200 0.041 0.000 1.033 809 S CB -0.318 62.901 63.200 0.032 0.000 0.887 809 S HN 0.374 nan 8.310 nan 0.000 0.447 810 V N 1.813 121.738 119.914 0.019 0.000 2.427 810 V HA -0.156 3.963 4.120 -0.000 0.000 0.248 810 V C 2.590 178.637 176.094 -0.079 0.000 1.051 810 V CA 1.564 63.846 62.300 -0.030 0.000 1.048 810 V CB -1.213 30.580 31.823 -0.050 0.000 0.666 810 V HN 0.540 nan 8.190 nan 0.000 0.456 811 A N -0.121 122.669 122.820 -0.050 0.000 1.898 811 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 811 A C 2.373 180.010 177.584 0.088 0.000 1.181 811 A CA 1.961 54.007 52.037 0.015 0.000 0.620 811 A CB -0.610 18.500 19.000 0.183 0.000 0.819 811 A HN 0.339 nan 8.150 nan 0.000 0.442 812 V N -0.154 119.805 119.914 0.075 0.000 2.427 812 V HA -0.209 3.911 4.120 -0.000 0.000 0.248 812 V C 3.022 179.154 176.094 0.064 0.000 1.051 812 V CA 1.765 64.110 62.300 0.076 0.000 1.048 812 V CB -1.179 30.687 31.823 0.071 0.000 0.666 812 V HN 0.605 nan 8.190 nan 0.000 0.456 813 A N 0.014 122.861 122.820 0.045 0.000 1.902 813 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 813 A C 2.165 179.792 177.584 0.072 0.000 1.181 813 A CA 2.063 54.127 52.037 0.044 0.000 0.623 813 A CB -0.556 18.451 19.000 0.013 0.000 0.818 813 A HN 0.463 nan 8.150 nan 0.000 0.443 814 L N -0.234 121.018 121.223 0.048 0.000 2.046 814 L HA -0.056 4.284 4.340 -0.000 0.000 0.208 814 L C 2.622 179.592 176.870 0.166 0.000 1.077 814 L CA 2.207 57.104 54.840 0.096 0.000 0.747 814 L CB -0.741 41.338 42.059 0.033 0.000 0.896 814 L HN 0.330 nan 8.230 nan 0.000 0.432 815 A N -0.444 122.449 122.820 0.120 0.000 1.902 815 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 815 A C 2.451 180.074 177.584 0.065 0.000 1.181 815 A CA 1.782 53.868 52.037 0.082 0.000 0.623 815 A CB -1.165 17.873 19.000 0.063 0.000 0.818 815 A HN 0.583 nan 8.150 nan 0.000 0.443 816 A N -1.439 121.430 122.820 0.082 0.000 1.930 816 A HA -0.076 4.244 4.320 -0.000 0.000 0.217 816 A C 2.138 179.772 177.584 0.084 0.000 1.175 816 A CA 1.638 53.719 52.037 0.073 0.000 0.627 816 A CB -0.792 18.252 19.000 0.072 0.000 0.815 816 A HN 0.787 nan 8.150 nan 0.000 0.443 817 Y N 0.752 121.056 120.300 0.007 0.000 2.145 817 Y HA -0.164 4.386 4.550 -0.000 0.000 0.286 817 Y C 2.189 178.093 175.900 0.007 0.000 1.145 817 Y CA 2.201 60.302 58.100 0.002 0.000 1.148 817 Y CB -0.095 38.362 38.460 -0.005 0.000 0.981 817 Y HN 0.137 nan 8.280 nan 0.000 0.507 818 K N -0.459 119.879 120.400 -0.103 0.000 2.057 818 K HA -0.109 4.211 4.320 -0.000 0.000 0.206 818 K C 2.107 178.613 176.600 -0.157 0.000 1.050 818 K CA 1.931 58.105 56.287 -0.189 0.000 0.935 818 K CB -0.707 31.795 32.500 0.003 0.000 0.715 818 K HN 0.581 nan 8.250 nan 0.000 0.439 819 T N -3.074 111.432 114.554 -0.079 0.000 3.035 819 T HA 0.112 4.462 4.350 -0.000 0.000 0.259 819 T C 1.570 176.316 174.700 0.077 0.000 1.078 819 T CA 1.031 63.105 62.100 -0.044 0.000 1.132 819 T CB 0.155 68.959 68.868 -0.107 0.000 0.900 819 T HN 0.355 nan 8.240 nan 0.000 0.480 820 G N 1.023 109.837 108.800 0.023 0.000 2.179 820 G HA2 -0.221 3.738 3.960 -0.000 0.000 0.260 820 G HA3 -0.221 3.738 3.960 -0.000 0.000 0.260 820 G C 0.043 174.973 174.900 0.049 0.000 0.977 820 G CA 0.317 45.425 45.100 0.013 0.000 0.641 820 G HN 0.771 nan 8.290 nan 0.000 0.533 821 H N 0.660 119.687 119.070 -0.072 0.000 2.525 821 H HA 0.375 4.931 4.556 -0.000 0.000 0.340 821 H C -2.420 172.870 175.328 -0.064 0.000 1.168 821 H CA -1.963 54.043 56.048 -0.070 0.000 1.247 821 H CB 1.902 31.631 29.762 -0.054 0.000 1.568 821 H HN 0.080 nan 8.280 nan 0.000 0.536 822 P HA 0.040 nan 4.420 nan 0.000 0.271 822 P C -0.839 176.478 177.300 0.029 0.000 1.218 822 P CA -0.024 63.092 63.100 0.028 0.000 0.780 822 P CB 0.880 32.597 31.700 0.030 0.000 0.901 823 V N 2.748 122.669 119.914 0.011 0.000 3.049 823 V HA 0.675 4.795 4.120 -0.000 0.000 0.309 823 V C -0.132 175.933 176.094 -0.049 0.000 1.148 823 V CA -0.681 61.591 62.300 -0.047 0.000 0.990 823 V CB 2.416 34.237 31.823 -0.004 0.000 1.039 823 V HN 0.624 nan 8.190 nan 0.000 0.430 824 R N 1.350 121.777 120.500 -0.122 0.000 2.799 824 R HA 0.923 5.263 4.340 -0.000 0.000 0.270 824 R C -1.590 174.732 176.300 0.036 0.000 1.010 824 R CA -0.632 55.440 56.100 -0.047 0.000 0.916 824 R CB 1.814 32.058 30.300 -0.093 0.000 1.228 824 R HN 0.786 nan 8.270 nan 0.000 0.469 825 C N 2.925 122.282 119.300 0.095 0.000 2.832 825 C HA 0.584 5.044 4.460 -0.000 0.000 0.383 825 C C -1.194 173.876 174.990 0.134 0.000 1.046 825 C CA -0.555 58.549 59.018 0.143 0.000 1.242 825 C CB 1.284 29.104 27.740 0.132 0.000 1.693 825 C HN 0.994 nan 8.230 nan 0.000 0.497 826 M N 6.943 126.633 119.600 0.149 0.000 2.253 826 M HA 0.566 5.046 4.480 -0.000 0.000 0.314 826 M C -1.208 175.167 176.300 0.124 0.000 1.019 826 M CA -0.568 54.806 55.300 0.123 0.000 0.932 826 M CB 1.163 33.838 32.600 0.124 0.000 1.606 826 M HN 0.720 nan 8.290 nan 0.000 0.430 827 L N 3.856 125.151 121.223 0.121 0.000 2.426 827 L HA 0.197 4.536 4.340 -0.000 0.000 0.271 827 L C 0.095 177.037 176.870 0.120 0.000 1.169 827 L CA -0.352 54.565 54.840 0.128 0.000 0.836 827 L CB 0.246 42.394 42.059 0.148 0.000 1.112 827 L HN 0.640 nan 8.230 nan 0.000 0.465 828 D N 0.898 121.371 120.400 0.122 0.000 2.344 828 D HA 0.056 4.696 4.640 -0.000 0.000 0.244 828 D C 0.912 177.297 176.300 0.142 0.000 1.134 828 D CA -0.365 53.713 54.000 0.130 0.000 0.930 828 D CB 1.026 41.900 40.800 0.123 0.000 1.175 828 D HN 0.312 nan 8.370 nan 0.000 0.437 829 R N 1.783 122.371 120.500 0.147 0.000 2.096 829 R HA -0.192 4.148 4.340 -0.000 0.000 0.240 829 R C 1.520 177.896 176.300 0.127 0.000 1.139 829 R CA 1.911 58.069 56.100 0.097 0.000 0.952 829 R CB -0.552 29.797 30.300 0.083 0.000 0.854 829 R HN 0.546 nan 8.270 nan 0.000 0.436 830 N N 0.453 119.272 118.700 0.199 0.000 2.223 830 N HA -0.184 4.556 4.740 -0.000 0.000 0.185 830 N C 1.269 176.870 175.510 0.153 0.000 1.016 830 N CA 1.914 55.076 53.050 0.187 0.000 0.863 830 N CB -0.494 38.157 38.487 0.272 0.000 0.983 830 N HN 0.499 nan 8.380 nan 0.000 0.429 831 E N 0.195 120.488 120.200 0.155 0.000 2.047 831 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 831 E C 1.391 178.071 176.600 0.135 0.000 0.987 831 E CA 0.924 57.408 56.400 0.140 0.000 0.799 831 E CB -0.135 29.647 29.700 0.137 0.000 0.752 831 E HN 0.403 nan 8.360 nan 0.000 0.449 832 D N 0.698 121.186 120.400 0.147 0.000 2.104 832 D HA -0.173 4.467 4.640 -0.000 0.000 0.194 832 D C 1.989 178.384 176.300 0.158 0.000 0.994 832 D CA 1.214 55.327 54.000 0.188 0.000 0.830 832 D CB 0.054 40.995 40.800 0.236 0.000 0.959 832 D HN 0.154 nan 8.370 nan 0.000 0.452 833 M N -0.147 119.511 119.600 0.096 0.000 2.296 833 M HA -0.143 4.336 4.480 -0.000 0.000 0.265 833 M C 2.250 178.585 176.300 0.057 0.000 1.064 833 M CA 0.611 55.936 55.300 0.042 0.000 1.109 833 M CB -0.024 32.569 32.600 -0.013 0.000 1.396 833 M HN 0.067 nan 8.290 nan 0.000 0.430 834 L N 0.479 121.752 121.223 0.083 0.000 2.068 834 L HA -0.004 4.336 4.340 -0.000 0.000 0.204 834 L C 1.948 178.885 176.870 0.112 0.000 1.076 834 L CA 1.732 56.628 54.840 0.093 0.000 0.753 834 L CB -0.178 41.941 42.059 0.102 0.000 0.910 834 L HN 0.166 nan 8.230 nan 0.000 0.439 835 I N -0.955 119.683 120.570 0.114 0.000 2.429 835 I HA -0.122 4.047 4.170 -0.000 0.000 0.247 835 I C 2.139 178.311 176.117 0.092 0.000 1.099 835 I CA 1.239 62.603 61.300 0.107 0.000 1.422 835 I CB -0.781 37.280 38.000 0.103 0.000 1.112 835 I HN 0.354 nan 8.210 nan 0.000 0.430 836 T N -0.788 113.823 114.554 0.096 0.000 3.163 836 T HA 0.287 4.637 4.350 -0.000 0.000 0.260 836 T C 1.058 175.860 174.700 0.170 0.000 1.156 836 T CA 0.375 62.529 62.100 0.089 0.000 1.072 836 T CB -0.724 68.198 68.868 0.089 0.000 0.937 836 T HN 0.607 nan 8.240 nan 0.000 0.528 837 G N -0.793 108.108 108.800 0.169 0.000 2.814 837 G HA2 0.368 4.327 3.960 -0.000 0.000 0.677 837 G HA3 0.368 4.327 3.960 -0.000 0.000 0.677 837 G C -0.106 174.951 174.900 0.261 0.000 1.429 837 G CA -0.592 44.612 45.100 0.174 0.000 0.868 837 G HN 1.235 nan 8.290 nan 0.000 0.553 838 G N -0.875 108.031 108.800 0.176 0.000 2.947 838 G HA2 0.773 4.732 3.960 -0.000 0.000 0.293 838 G HA3 0.773 4.732 3.960 -0.000 0.000 0.293 838 G C -0.069 174.914 174.900 0.138 0.000 1.243 838 G CA 0.079 45.255 45.100 0.127 0.000 0.802 838 G HN 0.908 nan 8.290 nan 0.000 0.560 839 R N -0.267 120.323 120.500 0.151 0.000 2.694 839 R HA 0.201 4.541 4.340 -0.000 0.000 0.268 839 R C -0.605 175.739 176.300 0.073 0.000 1.061 839 R CA -0.251 55.924 56.100 0.125 0.000 1.133 839 R CB 0.010 30.192 30.300 -0.197 0.000 1.020 839 R HN 0.584 nan 8.270 nan 0.000 0.475 840 H N 4.106 123.245 119.070 0.116 0.000 2.819 840 H HA 0.178 4.734 4.556 -0.000 0.000 0.303 840 H C -2.021 173.442 175.328 0.226 0.000 1.058 840 H CA -1.218 54.938 56.048 0.181 0.000 1.471 840 H CB 0.782 30.716 29.762 0.286 0.000 1.480 840 H HN 0.434 nan 8.280 nan 0.000 0.517 841 P HA 0.101 nan 4.420 nan 0.000 0.275 841 P C -0.816 176.637 177.300 0.256 0.000 1.228 841 P CA 0.122 63.290 63.100 0.113 0.000 0.786 841 P CB 0.662 32.421 31.700 0.098 0.000 0.927 842 F N 1.842 121.716 119.950 -0.127 0.000 2.551 842 F HA 0.521 5.048 4.527 -0.000 0.000 0.316 842 F C -0.343 175.508 175.800 0.084 0.000 1.089 842 F CA -1.038 56.989 58.000 0.045 0.000 0.915 842 F CB 1.699 40.754 39.000 0.090 0.000 1.186 842 F HN 0.078 nan 8.300 nan 0.000 0.456 843 L N 3.653 125.097 121.223 0.368 0.000 2.362 843 L HA 0.895 5.235 4.340 -0.000 0.000 0.275 843 L C -1.173 175.954 176.870 0.428 0.000 0.998 843 L CA -0.373 54.726 54.840 0.432 0.000 0.820 843 L CB 1.373 43.654 42.059 0.370 0.000 1.270 843 L HN 0.597 nan 8.230 nan 0.000 0.415 844 A N 5.173 128.226 122.820 0.387 0.000 2.386 844 A HA 0.896 5.216 4.320 -0.000 0.000 0.311 844 A C -0.822 176.956 177.584 0.324 0.000 1.068 844 A CA -0.737 51.495 52.037 0.325 0.000 0.743 844 A CB 1.219 20.378 19.000 0.265 0.000 1.258 844 A HN 0.729 nan 8.150 nan 0.000 0.429 845 R N 1.135 121.793 120.500 0.263 0.000 2.409 845 R HA 0.546 4.886 4.340 -0.000 0.000 0.313 845 R C -1.518 174.880 176.300 0.164 0.000 0.953 845 R CA -0.354 55.847 56.100 0.168 0.000 0.849 845 R CB 1.513 31.899 30.300 0.144 0.000 1.171 845 R HN 0.819 nan 8.270 nan 0.000 0.458 846 Y N -0.521 119.810 120.300 0.053 0.000 2.633 846 Y HA 0.695 5.245 4.550 -0.000 0.000 0.339 846 Y C -0.918 174.988 175.900 0.010 0.000 1.045 846 Y CA -1.359 56.755 58.100 0.023 0.000 1.098 846 Y CB 1.946 40.439 38.460 0.055 0.000 1.296 846 Y HN 0.279 nan 8.280 nan 0.000 0.494 847 K N 2.136 122.604 120.400 0.113 0.000 2.616 847 K HA 0.576 4.896 4.320 -0.000 0.000 0.255 847 K C -2.623 174.092 176.600 0.192 0.000 0.995 847 K CA -0.655 55.670 56.287 0.063 0.000 0.860 847 K CB 2.446 34.912 32.500 -0.057 0.000 1.264 847 K HN 0.811 nan 8.250 nan 0.000 0.451 848 V N 3.047 123.080 119.914 0.198 0.000 2.604 848 V HA 0.827 4.947 4.120 -0.000 0.000 0.305 848 V C -0.454 175.841 176.094 0.335 0.000 1.043 848 V CA -0.208 62.148 62.300 0.094 0.000 0.888 848 V CB 1.679 33.355 31.823 -0.245 0.000 0.995 848 V HN 0.837 nan 8.190 nan 0.000 0.429 849 G N 5.673 114.586 108.800 0.188 0.000 2.415 849 G HA2 0.779 4.739 3.960 -0.000 0.000 0.327 849 G HA3 0.779 4.739 3.960 -0.000 0.000 0.327 849 G C -1.216 173.783 174.900 0.166 0.000 1.182 849 G CA -0.534 44.649 45.100 0.138 0.000 0.924 849 G HN 1.074 nan 8.290 nan 0.000 0.470 850 F N 0.134 120.053 119.950 -0.052 0.000 2.711 850 F HA 0.752 5.279 4.527 -0.000 0.000 0.313 850 F C -0.635 175.147 175.800 -0.031 0.000 1.141 850 F CA -1.821 56.143 58.000 -0.060 0.000 0.941 850 F CB 1.319 40.293 39.000 -0.044 0.000 1.349 850 F HN 0.258 nan 8.300 nan 0.000 0.464 851 M N 1.298 120.967 119.600 0.115 0.000 2.494 851 M HA 0.386 4.866 4.480 -0.000 0.000 0.300 851 M C 0.912 177.275 176.300 0.104 0.000 1.189 851 M CA -0.600 54.716 55.300 0.026 0.000 0.982 851 M CB 1.297 33.914 32.600 0.027 0.000 1.534 851 M HN 0.819 nan 8.290 nan 0.000 0.488 852 K N 0.224 120.651 120.400 0.045 0.000 2.281 852 K HA -0.126 4.194 4.320 -0.000 0.000 0.203 852 K C 1.526 178.191 176.600 0.110 0.000 1.046 852 K CA 1.808 58.142 56.287 0.078 0.000 0.938 852 K CB -0.322 32.200 32.500 0.037 0.000 0.737 852 K HN 0.871 nan 8.250 nan 0.000 0.458 853 T N -3.307 111.302 114.554 0.092 0.000 3.085 853 T HA 0.089 4.439 4.350 -0.000 0.000 0.263 853 T C 1.472 176.227 174.700 0.093 0.000 1.127 853 T CA 0.796 62.944 62.100 0.081 0.000 1.103 853 T CB 0.277 69.179 68.868 0.055 0.000 0.921 853 T HN 0.352 nan 8.240 nan 0.000 0.510 854 G N 0.583 109.469 108.800 0.143 0.000 2.195 854 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.224 854 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.224 854 G C 0.218 175.150 174.900 0.054 0.000 0.990 854 G CA -0.066 45.093 45.100 0.099 0.000 0.639 854 G HN 0.675 nan 8.290 nan 0.000 0.514 855 T N 3.101 117.693 114.554 0.064 0.000 2.888 855 T HA 0.460 4.810 4.350 -0.000 0.000 0.301 855 T C 0.863 175.589 174.700 0.045 0.000 1.001 855 T CA 0.131 62.240 62.100 0.015 0.000 1.147 855 T CB 0.980 69.848 68.868 0.000 0.000 0.931 855 T HN 0.231 nan 8.240 nan 0.000 0.541 856 I N 4.581 125.140 120.570 -0.018 0.000 2.441 856 I HA 0.134 4.304 4.170 -0.000 0.000 0.287 856 I C 1.379 177.446 176.117 -0.083 0.000 1.049 856 I CA -0.177 61.101 61.300 -0.037 0.000 1.381 856 I CB 0.974 38.914 38.000 -0.101 0.000 1.409 856 I HN 0.558 nan 8.210 nan 0.000 0.523 857 V N 2.389 122.235 119.914 -0.112 0.000 3.562 857 V HA 0.711 4.831 4.120 -0.000 0.000 0.270 857 V C 0.411 176.329 176.094 -0.293 0.000 1.418 857 V CA 0.244 62.444 62.300 -0.166 0.000 1.033 857 V CB 0.515 32.256 31.823 -0.136 0.000 0.820 857 V HN 0.770 nan 8.190 nan 0.000 0.441 858 A N 0.631 123.209 122.820 -0.404 0.000 2.566 858 A HA 0.862 5.182 4.320 -0.000 0.000 0.297 858 A C -1.843 175.407 177.584 -0.557 0.000 1.059 858 A CA -0.392 51.234 52.037 -0.684 0.000 0.691 858 A CB 2.212 20.311 19.000 -1.501 0.000 1.282 858 A HN 1.033 nan 8.150 nan 0.000 0.401 859 L N 0.798 121.783 121.223 -0.397 0.000 2.588 859 L HA 0.675 5.015 4.340 -0.000 0.000 0.263 859 L C -1.287 175.566 176.870 -0.029 0.000 0.935 859 L CA 0.128 54.825 54.840 -0.238 0.000 0.891 859 L CB 2.000 43.803 42.059 -0.427 0.000 1.318 859 L HN 0.770 nan 8.230 nan 0.000 0.409 860 E N 4.462 124.725 120.200 0.105 0.000 2.224 860 E HA 0.721 5.071 4.350 -0.000 0.000 0.265 860 E C -1.513 175.142 176.600 0.093 0.000 0.878 860 E CA -0.870 55.608 56.400 0.129 0.000 0.759 860 E CB 2.884 32.695 29.700 0.186 0.000 1.164 860 E HN 0.365 nan 8.360 nan 0.000 0.414 861 V N 2.877 122.842 119.914 0.085 0.000 2.569 861 V HA 0.239 4.358 4.120 -0.000 0.000 0.301 861 V C -1.050 175.025 176.094 -0.032 0.000 1.044 861 V CA -0.984 61.334 62.300 0.029 0.000 0.874 861 V CB 2.045 33.869 31.823 0.001 0.000 1.002 861 V HN 0.646 nan 8.190 nan 0.000 0.424 862 D N 2.863 123.232 120.400 -0.052 0.000 2.349 862 D HA 0.472 5.112 4.640 -0.000 0.000 0.232 862 D C -0.562 175.643 176.300 -0.159 0.000 1.071 862 D CA -0.272 53.689 54.000 -0.064 0.000 0.832 862 D CB 1.385 42.210 40.800 0.041 0.000 1.086 862 D HN 0.593 nan 8.370 nan 0.000 0.504 863 H N 1.079 120.053 119.070 -0.160 0.000 2.479 863 H HA 0.444 5.000 4.556 -0.000 0.000 0.335 863 H C -0.758 174.268 175.328 -0.504 0.000 1.142 863 H CA -0.297 55.696 56.048 -0.092 0.000 1.234 863 H CB 0.880 30.694 29.762 0.088 0.000 1.503 863 H HN 0.303 nan 8.280 nan 0.000 0.510 864 Y N 0.283 120.563 120.300 -0.034 0.000 2.386 864 Y HA 0.373 4.923 4.550 -0.000 0.000 0.334 864 Y C -0.393 175.281 175.900 -0.378 0.000 1.002 864 Y CA -0.885 57.135 58.100 -0.133 0.000 1.068 864 Y CB 1.951 40.421 38.460 0.017 0.000 1.203 864 Y HN 0.696 nan 8.280 nan 0.000 0.443 865 S N 1.575 117.072 115.700 -0.338 0.000 2.532 865 S HA 0.458 4.928 4.470 -0.000 0.000 0.301 865 S C -0.868 173.734 174.600 0.003 0.000 1.083 865 S CA -1.059 56.891 58.200 -0.416 0.000 1.025 865 S CB 1.599 64.409 63.200 -0.650 0.000 1.056 865 S HN 0.749 nan 8.310 nan 0.000 0.494 866 N N 1.298 120.047 118.700 0.082 0.000 2.469 866 N HA 0.466 5.206 4.740 -0.000 0.000 0.239 866 N C 0.849 176.428 175.510 0.115 0.000 1.053 866 N CA -0.300 52.803 53.050 0.087 0.000 0.937 866 N CB 0.564 39.078 38.487 0.046 0.000 1.163 866 N HN 0.778 nan 8.380 nan 0.000 0.509 867 A N 3.054 125.986 122.820 0.186 0.000 2.072 867 A HA 0.375 4.695 4.320 -0.000 0.000 0.216 867 A C 1.208 178.874 177.584 0.137 0.000 1.156 867 A CA 0.836 53.021 52.037 0.247 0.000 0.701 867 A CB -0.631 18.618 19.000 0.415 0.000 0.816 867 A HN 0.918 nan 8.150 nan 0.000 0.458 868 G N 0.346 109.208 108.800 0.103 0.000 2.627 868 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.214 868 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.214 868 G C 0.073 175.053 174.900 0.134 0.000 1.331 868 G CA 0.126 45.262 45.100 0.060 0.000 0.891 868 G HN 1.013 nan 8.290 nan 0.000 0.539 869 N N 0.140 118.876 118.700 0.060 0.000 2.421 869 N HA 0.312 5.052 4.740 -0.000 0.000 0.201 869 N C 0.532 176.098 175.510 0.095 0.000 1.198 869 N CA 1.217 54.302 53.050 0.059 0.000 0.838 869 N CB 0.004 38.445 38.487 -0.077 0.000 1.011 869 N HN 1.830 nan 8.380 nan 0.000 0.463 870 S N -1.545 114.200 115.700 0.074 0.000 2.587 870 S HA 0.458 4.928 4.470 -0.000 0.000 0.269 870 S C 0.348 174.699 174.600 -0.414 0.000 1.154 870 S CA -0.948 57.179 58.200 -0.121 0.000 0.824 870 S CB 1.596 64.767 63.200 -0.049 0.000 1.118 870 S HN 0.018 nan 8.310 nan 0.000 0.462 871 R N 0.779 120.903 120.500 -0.627 0.000 2.057 871 R HA 0.117 4.456 4.340 -0.000 0.000 0.229 871 R C 0.911 177.059 176.300 -0.254 0.000 1.136 871 R CA 1.388 57.057 56.100 -0.719 0.000 0.952 871 R CB -0.822 28.907 30.300 -0.951 0.000 0.848 871 R HN 0.899 nan 8.270 nan 0.000 0.430 872 D N -0.842 119.554 120.400 -0.008 0.000 3.574 872 D HA -0.291 4.349 4.640 -0.000 0.000 0.153 872 D C 0.258 176.715 176.300 0.261 0.000 0.965 872 D CA 2.130 56.251 54.000 0.202 0.000 1.047 872 D CB -0.797 40.102 40.800 0.165 0.000 0.492 872 D HN 0.099 nan 8.370 nan 0.000 0.492 873 L N 0.257 121.632 121.223 0.253 0.000 2.611 873 L HA 0.232 4.572 4.340 -0.000 0.000 0.229 873 L C 2.076 178.982 176.870 0.059 0.000 1.137 873 L CA 0.194 55.194 54.840 0.268 0.000 0.901 873 L CB -0.019 42.265 42.059 0.374 0.000 1.098 873 L HN 0.163 nan 8.230 nan 0.000 0.456 874 S N -0.462 115.254 115.700 0.027 0.000 2.387 874 S HA -0.272 4.198 4.470 -0.000 0.000 0.230 874 S C 1.877 176.370 174.600 -0.178 0.000 1.035 874 S CA 1.649 59.774 58.200 -0.125 0.000 1.014 874 S CB -0.247 62.990 63.200 0.061 0.000 0.836 874 S HN 0.572 nan 8.310 nan 0.000 0.466 875 H N 1.270 120.237 119.070 -0.171 0.000 2.299 875 H HA 0.059 4.615 4.556 -0.000 0.000 0.302 875 H C 2.267 177.536 175.328 -0.098 0.000 1.078 875 H CA 1.869 57.826 56.048 -0.152 0.000 1.323 875 H CB -0.369 29.313 29.762 -0.133 0.000 1.381 875 H HN 0.234 nan 8.280 nan 0.000 0.498 876 S N -0.216 115.538 115.700 0.090 0.000 2.399 876 S HA -0.120 4.350 4.470 -0.000 0.000 0.231 876 S C 2.261 176.903 174.600 0.070 0.000 1.022 876 S CA 1.293 59.612 58.200 0.198 0.000 0.983 876 S CB -0.224 63.287 63.200 0.519 0.000 0.803 876 S HN 0.370 nan 8.310 nan 0.000 0.480 877 I N 0.727 121.074 120.570 -0.371 0.000 2.226 877 I HA -0.199 3.971 4.170 -0.000 0.000 0.245 877 I C 2.442 178.401 176.117 -0.263 0.000 1.100 877 I CA 1.097 62.000 61.300 -0.661 0.000 1.374 877 I CB -0.220 37.250 38.000 -0.884 0.000 1.057 877 I HN 0.302 nan 8.210 nan 0.000 0.413 878 M N 0.888 120.321 119.600 -0.278 0.000 2.175 878 M HA -0.177 4.303 4.480 -0.000 0.000 0.264 878 M C 2.004 178.138 176.300 -0.277 0.000 1.063 878 M CA 1.807 56.971 55.300 -0.225 0.000 1.119 878 M CB -0.453 31.942 32.600 -0.342 0.000 1.377 878 M HN 0.111 nan 8.290 nan 0.000 0.415 879 E N -0.618 119.367 120.200 -0.358 0.000 2.051 879 E HA -0.262 4.088 4.350 -0.000 0.000 0.192 879 E C 2.202 178.732 176.600 -0.116 0.000 0.991 879 E CA 1.463 57.637 56.400 -0.375 0.000 0.799 879 E CB -0.383 29.155 29.700 -0.269 0.000 0.748 879 E HN 0.537 nan 8.360 nan 0.000 0.449 880 R N 0.818 121.428 120.500 0.184 0.000 2.096 880 R HA -0.144 4.196 4.340 -0.000 0.000 0.235 880 R C 2.239 178.716 176.300 0.294 0.000 1.127 880 R CA 1.242 57.597 56.100 0.426 0.000 0.968 880 R CB -0.173 30.367 30.300 0.400 0.000 0.861 880 R HN 0.149 nan 8.270 nan 0.000 0.440 881 A N 1.185 124.045 122.820 0.066 0.000 1.865 881 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 881 A C 2.184 179.767 177.584 -0.001 0.000 1.191 881 A CA 1.421 53.446 52.037 -0.021 0.000 0.623 881 A CB -0.706 18.244 19.000 -0.082 0.000 0.826 881 A HN 0.357 nan 8.150 nan 0.000 0.444 882 L N -1.811 119.354 121.223 -0.097 0.000 2.079 882 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 882 L C 2.457 179.454 176.870 0.213 0.000 1.081 882 L CA 1.325 56.153 54.840 -0.020 0.000 0.752 882 L CB -0.590 41.441 42.059 -0.047 0.000 0.896 882 L HN 0.446 nan 8.230 nan 0.000 0.433 883 F N -0.947 119.089 119.950 0.144 0.000 2.408 883 F HA -0.185 4.341 4.527 -0.000 0.000 0.300 883 F C 1.604 177.396 175.800 -0.013 0.000 1.090 883 F CA 0.593 58.541 58.000 -0.087 0.000 1.427 883 F CB -0.050 38.831 39.000 -0.200 0.000 1.070 883 F HN 0.237 nan 8.300 nan 0.000 0.549 884 H N -1.165 118.107 119.070 0.335 0.000 2.662 884 H HA 0.137 4.693 4.556 -0.000 0.000 0.268 884 H C 1.660 177.064 175.328 0.126 0.000 1.152 884 H CA -0.076 56.102 56.048 0.217 0.000 1.072 884 H CB -0.163 29.624 29.762 0.042 0.000 1.660 884 H HN 0.233 nan 8.280 nan 0.000 0.584 885 M N -0.174 119.554 119.600 0.213 0.000 2.632 885 M HA -0.029 4.451 4.480 -0.000 0.000 0.256 885 M C 0.578 176.940 176.300 0.103 0.000 1.080 885 M CA 1.344 56.745 55.300 0.169 0.000 1.084 885 M CB 0.175 32.914 32.600 0.231 0.000 1.439 885 M HN 0.088 nan 8.290 nan 0.000 0.509 886 D N -0.823 119.579 120.400 0.003 0.000 2.338 886 D HA -0.009 4.631 4.640 -0.000 0.000 0.208 886 D C 0.877 177.201 176.300 0.040 0.000 0.997 886 D CA 0.399 54.413 54.000 0.024 0.000 0.880 886 D CB -0.407 40.381 40.800 -0.021 0.000 0.980 886 D HN 0.494 nan 8.370 nan 0.000 0.509 887 N N 0.097 118.812 118.700 0.025 0.000 1.424 887 N HA -0.279 4.461 4.740 -0.000 0.000 0.147 887 N C -0.236 175.204 175.510 -0.116 0.000 0.709 887 N CA 2.594 55.594 53.050 -0.084 0.000 1.052 887 N CB -1.390 36.959 38.487 -0.229 0.000 1.281 887 N HN 0.347 nan 8.380 nan 0.000 0.478 888 C N 0.230 119.191 119.300 -0.564 0.000 2.760 888 C HA 0.458 4.918 4.460 -0.000 0.000 0.293 888 C C -0.672 173.872 174.990 -0.743 0.000 1.383 888 C CA -0.516 58.279 59.018 -0.373 0.000 1.771 888 C CB -2.035 25.535 27.740 -0.283 0.000 2.353 888 C HN 0.335 nan 8.230 nan 0.000 0.578 889 Y N 0.525 120.591 120.300 -0.390 0.000 2.377 889 Y HA 0.458 5.008 4.550 -0.000 0.000 0.339 889 Y C 0.261 175.507 175.900 -1.089 0.000 1.011 889 Y CA -1.075 56.641 58.100 -0.641 0.000 1.093 889 Y CB 0.897 39.195 38.460 -0.270 0.000 1.201 889 Y HN -0.162 nan 8.280 nan 0.000 0.455 890 K N 4.004 123.850 120.400 -0.922 0.000 2.338 890 K HA 0.378 4.698 4.320 -0.000 0.000 0.290 890 K C -1.383 175.058 176.600 -0.265 0.000 1.069 890 K CA 0.318 56.203 56.287 -0.670 0.000 0.941 890 K CB -0.263 32.006 32.500 -0.384 0.000 1.023 890 K HN 0.690 nan 8.250 nan 0.000 0.477 891 I N 8.898 129.373 120.570 -0.159 0.000 2.464 891 I HA 0.220 4.390 4.170 -0.000 0.000 0.277 891 I C -1.371 174.703 176.117 -0.071 0.000 1.040 891 I CA -2.078 59.158 61.300 -0.105 0.000 1.153 891 I CB 1.755 39.702 38.000 -0.089 0.000 1.274 891 I HN 0.623 nan 8.210 nan 0.000 0.469 892 P HA -0.156 nan 4.420 nan 0.000 0.216 892 P C -0.152 177.111 177.300 -0.061 0.000 1.153 892 P CA 1.497 64.559 63.100 -0.063 0.000 0.858 892 P CB 0.196 31.851 31.700 -0.076 0.000 0.789 893 N N 0.248 118.885 118.700 -0.104 0.000 2.442 893 N HA 0.471 5.211 4.740 -0.000 0.000 0.274 893 N C -0.673 174.762 175.510 -0.124 0.000 1.002 893 N CA -0.351 52.632 53.050 -0.112 0.000 0.910 893 N CB 2.294 40.677 38.487 -0.173 0.000 1.244 893 N HN 0.136 nan 8.380 nan 0.000 0.492 894 I N 0.765 121.309 120.570 -0.042 0.000 2.775 894 I HA 0.418 4.587 4.170 -0.000 0.000 0.295 894 I C -1.490 174.663 176.117 0.059 0.000 1.287 894 I CA -0.731 60.561 61.300 -0.014 0.000 1.029 894 I CB 2.557 40.557 38.000 0.000 0.000 1.282 894 I HN 0.353 nan 8.210 nan 0.000 0.426 895 R N 5.038 125.583 120.500 0.076 0.000 2.515 895 R HA 0.677 5.017 4.340 -0.000 0.000 0.291 895 R C -1.497 174.884 176.300 0.134 0.000 1.046 895 R CA -0.559 55.608 56.100 0.113 0.000 0.914 895 R CB 1.954 32.318 30.300 0.105 0.000 1.191 895 R HN 0.806 nan 8.270 nan 0.000 0.435 896 G N 1.941 110.845 108.800 0.173 0.000 2.590 896 G HA2 0.475 4.435 3.960 -0.000 0.000 0.310 896 G HA3 0.475 4.435 3.960 -0.000 0.000 0.310 896 G C -0.741 174.267 174.900 0.180 0.000 1.347 896 G CA -0.453 44.780 45.100 0.221 0.000 0.963 896 G HN 0.563 nan 8.290 nan 0.000 0.494 897 T N -0.888 113.765 114.554 0.165 0.000 2.924 897 T HA 0.859 5.209 4.350 -0.000 0.000 0.291 897 T C 0.064 174.778 174.700 0.023 0.000 1.045 897 T CA -0.602 61.525 62.100 0.044 0.000 1.015 897 T CB 2.372 71.217 68.868 -0.040 0.000 1.103 897 T HN 1.182 nan 8.240 nan 0.000 0.496 898 G N 0.411 109.123 108.800 -0.146 0.000 2.682 898 G HA2 0.636 4.596 3.960 -0.000 0.000 0.300 898 G HA3 0.636 4.596 3.960 -0.000 0.000 0.300 898 G C -1.612 173.082 174.900 -0.343 0.000 1.391 898 G CA -0.953 44.006 45.100 -0.236 0.000 0.990 898 G HN 0.700 nan 8.290 nan 0.000 0.501 899 R N 0.767 121.011 120.500 -0.427 0.000 2.564 899 R HA 0.506 4.846 4.340 -0.000 0.000 0.284 899 R C -0.830 175.363 176.300 -0.178 0.000 1.031 899 R CA -0.843 55.015 56.100 -0.404 0.000 0.904 899 R CB 1.439 31.337 30.300 -0.670 0.000 1.199 899 R HN 0.436 nan 8.270 nan 0.000 0.443 900 L N 3.747 124.953 121.223 -0.029 0.000 2.260 900 L HA 0.456 4.796 4.340 -0.000 0.000 0.289 900 L C -0.311 176.732 176.870 0.288 0.000 1.057 900 L CA -0.864 54.051 54.840 0.126 0.000 0.811 900 L CB 1.328 43.510 42.059 0.205 0.000 1.184 900 L HN 0.524 nan 8.230 nan 0.000 0.429 901 C N 3.426 122.876 119.300 0.250 0.000 2.415 901 C HA 0.165 4.625 4.460 -0.000 0.000 0.369 901 C C 0.809 175.772 174.990 -0.045 0.000 1.279 901 C CA -0.745 58.376 59.018 0.172 0.000 1.886 901 C CB 0.259 28.084 27.740 0.143 0.000 2.468 901 C HN 0.674 nan 8.230 nan 0.000 0.553 902 K N 3.416 123.608 120.400 -0.346 0.000 2.285 902 K HA 0.431 4.751 4.320 -0.000 0.000 0.286 902 K C 0.179 176.601 176.600 -0.297 0.000 1.072 902 K CA 0.213 56.129 56.287 -0.618 0.000 0.913 902 K CB 0.470 32.324 32.500 -1.077 0.000 1.067 902 K HN 0.921 nan 8.250 nan 0.000 0.479 903 T N 0.442 114.906 114.554 -0.150 0.000 2.865 903 T HA 0.290 4.640 4.350 -0.000 0.000 0.294 903 T C -0.309 174.328 174.700 -0.104 0.000 1.119 903 T CA -1.079 60.945 62.100 -0.127 0.000 1.007 903 T CB 0.972 69.781 68.868 -0.098 0.000 1.225 903 T HN 0.531 nan 8.240 nan 0.000 0.515 904 N N 0.734 119.366 118.700 -0.113 0.000 3.245 904 N HA 0.512 5.252 4.740 -0.000 0.000 0.296 904 N C -0.935 174.541 175.510 -0.057 0.000 1.254 904 N CA -0.198 52.792 53.050 -0.099 0.000 1.190 904 N CB -0.277 38.152 38.487 -0.098 0.000 1.460 904 N HN 0.388 nan 8.380 nan 0.000 0.538 905 L N -0.501 120.690 121.223 -0.053 0.000 2.376 905 L HA 0.456 4.796 4.340 -0.000 0.000 0.258 905 L C 0.023 176.887 176.870 -0.009 0.000 1.013 905 L CA -1.095 53.723 54.840 -0.036 0.000 0.822 905 L CB 1.889 43.885 42.059 -0.105 0.000 1.388 905 L HN 0.109 nan 8.230 nan 0.000 0.413 906 S N 0.523 116.242 115.700 0.031 0.000 2.558 906 S HA -0.024 4.446 4.470 -0.000 0.000 0.287 906 S C 0.213 174.825 174.600 0.020 0.000 1.321 906 S CA -0.088 58.133 58.200 0.036 0.000 1.048 906 S CB 0.792 64.040 63.200 0.080 0.000 0.844 906 S HN 0.560 nan 8.310 nan 0.000 0.512 907 S N 2.908 118.620 115.700 0.019 0.000 2.498 907 S HA 0.074 4.544 4.470 -0.000 0.000 0.281 907 S C 0.238 174.846 174.600 0.013 0.000 1.265 907 S CA -0.652 57.561 58.200 0.022 0.000 1.071 907 S CB -0.316 62.902 63.200 0.031 0.000 0.894 907 S HN 0.593 nan 8.310 nan 0.000 0.491 908 N N 2.851 121.499 118.700 -0.087 0.000 2.483 908 N HA 0.361 5.101 4.740 -0.000 0.000 0.269 908 N C 0.312 175.801 175.510 -0.034 0.000 1.209 908 N CA -0.094 52.835 53.050 -0.202 0.000 0.969 908 N CB 1.531 39.624 38.487 -0.657 0.000 1.173 908 N HN 0.690 nan 8.380 nan 0.000 0.475 909 T N -1.302 113.341 114.554 0.148 0.000 2.564 909 T HA 0.633 4.983 4.350 -0.000 0.000 0.265 909 T C -1.222 173.736 174.700 0.430 0.000 0.908 909 T CA -0.461 61.840 62.100 0.335 0.000 1.166 909 T CB 0.295 69.342 68.868 0.297 0.000 1.497 909 T HN 0.458 nan 8.240 nan 0.000 0.484 910 A N 1.029 124.121 122.820 0.452 0.000 2.440 910 A HA 0.638 4.958 4.320 -0.000 0.000 0.251 910 A C -0.879 177.094 177.584 0.648 0.000 1.089 910 A CA -0.157 52.217 52.037 0.561 0.000 0.779 910 A CB -0.623 18.800 19.000 0.706 0.000 1.022 910 A HN 0.696 nan 8.150 nan 0.000 0.492 911 F N 2.183 122.394 119.950 0.435 0.000 2.607 911 F HA 0.418 4.945 4.527 -0.000 0.000 0.322 911 F C 0.499 176.462 175.800 0.272 0.000 1.176 911 F CA -1.027 57.194 58.000 0.367 0.000 0.977 911 F CB 1.169 40.242 39.000 0.122 0.000 1.242 911 F HN 0.783 nan 8.300 nan 0.000 0.465 912 R N 4.154 125.086 120.500 0.720 0.000 4.326 912 R HA -0.063 4.277 4.340 -0.000 0.000 0.141 912 R C 0.891 177.376 176.300 0.308 0.000 0.356 912 R CA 1.991 58.365 56.100 0.455 0.000 0.851 912 R CB -0.688 29.883 30.300 0.451 0.000 1.039 912 R HN 1.153 nan 8.270 nan 0.000 0.246 913 G N 3.409 112.365 108.800 0.260 0.000 2.617 913 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.197 913 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.197 913 G C 0.202 175.365 174.900 0.438 0.000 1.017 913 G CA -0.153 45.101 45.100 0.256 0.000 0.713 913 G HN 0.723 nan 8.290 nan 0.000 0.481 914 F N 1.023 121.095 119.950 0.204 0.000 2.943 914 F HA 0.046 4.573 4.527 -0.000 0.000 0.258 914 F C 1.814 177.669 175.800 0.092 0.000 0.995 914 F CA 2.648 60.755 58.000 0.178 0.000 0.896 914 F CB -0.960 38.149 39.000 0.181 0.000 0.821 914 F HN 1.997 nan 8.300 nan 0.000 0.828 915 G N -0.511 108.294 108.800 0.008 0.000 2.299 915 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.237 915 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.237 915 G C 1.534 176.340 174.900 -0.156 0.000 1.027 915 G CA 0.712 45.726 45.100 -0.142 0.000 0.619 915 G HN 1.510 nan 8.290 nan 0.000 0.513 916 G N 1.843 110.618 108.800 -0.043 0.000 2.459 916 G HA2 0.033 3.993 3.960 -0.000 0.000 0.217 916 G HA3 0.033 3.993 3.960 -0.000 0.000 0.217 916 G C 0.114 174.961 174.900 -0.088 0.000 1.183 916 G CA 2.027 47.047 45.100 -0.134 0.000 0.776 916 G HN 0.545 nan 8.290 nan 0.000 0.552 917 P HA -0.141 nan 4.420 nan 0.000 0.216 917 P C 1.826 179.176 177.300 0.084 0.000 1.154 917 P CA 1.583 64.763 63.100 0.133 0.000 0.865 917 P CB -0.039 31.717 31.700 0.093 0.000 0.789 918 Q N -0.744 118.959 119.800 -0.161 0.000 2.050 918 Q HA -0.103 4.237 4.340 -0.000 0.000 0.202 918 Q C 2.293 178.228 176.000 -0.109 0.000 0.980 918 Q CA 2.037 57.681 55.803 -0.265 0.000 0.840 918 Q CB -1.278 26.856 28.738 -1.008 0.000 0.898 918 Q HN 0.179 nan 8.270 nan 0.000 0.424 919 A N 0.272 122.988 122.820 -0.173 0.000 1.930 919 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 919 A C 2.051 179.610 177.584 -0.041 0.000 1.175 919 A CA 1.027 53.069 52.037 0.007 0.000 0.627 919 A CB -0.652 18.355 19.000 0.012 0.000 0.815 919 A HN 0.325 nan 8.150 nan 0.000 0.443 920 L N -1.952 119.129 121.223 -0.237 0.000 2.083 920 L HA -0.141 4.199 4.340 -0.000 0.000 0.209 920 L C 2.448 179.025 176.870 -0.488 0.000 1.083 920 L CA 1.405 55.857 54.840 -0.647 0.000 0.752 920 L CB -0.507 40.637 42.059 -1.524 0.000 0.899 920 L HN 0.517 nan 8.230 nan 0.000 0.433 921 F N 0.951 120.793 119.950 -0.180 0.000 2.113 921 F HA -0.184 4.343 4.527 -0.000 0.000 0.297 921 F C 2.259 178.056 175.800 -0.005 0.000 1.103 921 F CA 1.378 59.472 58.000 0.157 0.000 1.248 921 F CB -0.225 38.868 39.000 0.155 0.000 0.999 921 F HN -0.130 nan 8.300 nan 0.000 0.475 922 I N 0.464 120.974 120.570 -0.101 0.000 2.208 922 I HA -0.347 3.823 4.170 -0.000 0.000 0.245 922 I C 2.712 178.579 176.117 -0.417 0.000 1.097 922 I CA 1.276 62.446 61.300 -0.217 0.000 1.363 922 I CB -1.034 37.010 38.000 0.073 0.000 1.051 922 I HN 0.275 nan 8.210 nan 0.000 0.413 923 A N 0.449 123.046 122.820 -0.372 0.000 1.865 923 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 923 A C 2.238 179.041 177.584 -1.303 0.000 1.191 923 A CA 1.680 53.246 52.037 -0.785 0.000 0.623 923 A CB -0.530 18.272 19.000 -0.330 0.000 0.826 923 A HN 0.333 nan 8.150 nan 0.000 0.444 924 E N -0.169 119.602 120.200 -0.714 0.000 2.204 924 E HA -0.191 4.159 4.350 -0.000 0.000 0.195 924 E C 1.780 177.836 176.600 -0.906 0.000 0.990 924 E CA 1.276 57.218 56.400 -0.762 0.000 0.821 924 E CB -0.537 28.840 29.700 -0.538 0.000 0.750 924 E HN 0.737 nan 8.360 nan 0.000 0.477 925 N N 1.027 119.310 118.700 -0.694 0.000 2.058 925 N HA -0.161 4.579 4.740 -0.000 0.000 0.191 925 N C 1.922 177.189 175.510 -0.405 0.000 1.037 925 N CA 2.057 54.849 53.050 -0.431 0.000 0.848 925 N CB -0.373 37.814 38.487 -0.501 0.000 1.021 925 N HN 0.381 nan 8.380 nan 0.000 0.422 926 W N -0.696 120.327 121.300 -0.462 0.000 2.425 926 W HA -0.026 4.634 4.660 -0.000 0.000 0.277 926 W C 1.648 177.971 176.519 -0.327 0.000 1.231 926 W CA 0.165 57.279 57.345 -0.386 0.000 1.248 926 W CB -0.799 28.410 29.460 -0.418 0.000 1.117 926 W HN 0.156 nan 8.180 nan 0.000 0.568 927 M N 3.358 122.603 119.600 -0.591 0.000 2.159 927 M HA -0.174 4.306 4.480 -0.000 0.000 0.263 927 M C 2.470 178.550 176.300 -0.366 0.000 1.063 927 M CA 2.673 57.655 55.300 -0.531 0.000 1.110 927 M CB -0.817 31.209 32.600 -0.956 0.000 1.374 927 M HN 0.069 nan 8.290 nan 0.000 0.411 928 S N -0.868 114.602 115.700 -0.384 0.000 2.406 928 S HA -0.101 4.369 4.470 -0.000 0.000 0.228 928 S C 1.733 176.252 174.600 -0.136 0.000 1.020 928 S CA 1.253 59.303 58.200 -0.250 0.000 0.965 928 S CB -0.781 62.279 63.200 -0.233 0.000 0.798 928 S HN 0.689 nan 8.310 nan 0.000 0.488 929 E N 0.764 120.901 120.200 -0.105 0.000 2.208 929 E HA -0.004 4.346 4.350 -0.000 0.000 0.193 929 E C 2.009 178.552 176.600 -0.095 0.000 0.988 929 E CA 0.893 57.271 56.400 -0.037 0.000 0.828 929 E CB -0.226 29.512 29.700 0.064 0.000 0.763 929 E HN 0.394 nan 8.360 nan 0.000 0.478 930 V N 1.397 121.161 119.914 -0.250 0.000 2.358 930 V HA -0.240 3.880 4.120 -0.000 0.000 0.246 930 V C 2.316 178.234 176.094 -0.293 0.000 1.047 930 V CA 1.800 63.736 62.300 -0.607 0.000 1.035 930 V CB -0.544 30.815 31.823 -0.773 0.000 0.658 930 V HN 0.298 nan 8.190 nan 0.000 0.452 931 A N -0.202 122.513 122.820 -0.174 0.000 1.877 931 A HA -0.164 4.155 4.320 -0.000 0.000 0.216 931 A C 2.397 179.979 177.584 -0.002 0.000 1.186 931 A CA 2.145 54.141 52.037 -0.068 0.000 0.620 931 A CB -0.737 18.230 19.000 -0.056 0.000 0.822 931 A HN 0.314 nan 8.150 nan 0.000 0.443 932 V N -0.225 119.690 119.914 0.001 0.000 2.295 932 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 932 V C 2.767 178.906 176.094 0.075 0.000 1.049 932 V CA 2.529 64.855 62.300 0.044 0.000 1.024 932 V CB -1.308 30.541 31.823 0.044 0.000 0.648 932 V HN 0.617 nan 8.190 nan 0.000 0.447 933 T N -1.139 113.471 114.554 0.093 0.000 2.720 933 T HA -0.243 4.107 4.350 -0.000 0.000 0.268 933 T C 1.784 176.594 174.700 0.185 0.000 1.037 933 T CA 2.009 64.212 62.100 0.172 0.000 1.144 933 T CB -0.492 68.567 68.868 0.318 0.000 0.864 933 T HN 0.550 nan 8.240 nan 0.000 0.444 934 C N 0.783 120.191 119.300 0.179 0.000 2.500 934 C HA 0.398 4.858 4.460 -0.000 0.000 0.273 934 C C 2.155 177.208 174.990 0.105 0.000 1.428 934 C CA -0.256 58.861 59.018 0.166 0.000 1.766 934 C CB -1.453 26.384 27.740 0.162 0.000 1.817 934 C HN 0.832 nan 8.230 nan 0.000 0.543 935 G N 0.813 109.666 108.800 0.088 0.000 2.249 935 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.273 935 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.273 935 G C -0.184 174.758 174.900 0.070 0.000 1.036 935 G CA 0.185 45.329 45.100 0.073 0.000 0.824 935 G HN 0.548 nan 8.290 nan 0.000 0.504 936 L N -0.668 120.598 121.223 0.071 0.000 2.333 936 L HA 0.526 4.866 4.340 -0.000 0.000 0.269 936 L C -2.014 174.907 176.870 0.084 0.000 1.010 936 L CA -2.656 52.230 54.840 0.077 0.000 0.818 936 L CB 1.899 44.004 42.059 0.077 0.000 1.306 936 L HN -0.171 nan 8.230 nan 0.000 0.430 937 P HA 0.002 nan 4.420 nan 0.000 0.264 937 P C 0.090 177.474 177.300 0.139 0.000 1.193 937 P CA 0.110 63.295 63.100 0.141 0.000 0.763 937 P CB 0.959 32.771 31.700 0.186 0.000 0.810 938 A N 4.956 127.853 122.820 0.129 0.000 1.908 938 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 938 A C 1.929 179.605 177.584 0.153 0.000 1.181 938 A CA 1.744 53.838 52.037 0.095 0.000 0.627 938 A CB -0.873 18.173 19.000 0.076 0.000 0.818 938 A HN 0.652 nan 8.150 nan 0.000 0.445 939 E N 0.652 120.989 120.200 0.227 0.000 2.204 939 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 939 E C 1.460 178.307 176.600 0.411 0.000 0.989 939 E CA 1.509 58.114 56.400 0.342 0.000 0.824 939 E CB -0.570 29.198 29.700 0.112 0.000 0.756 939 E HN 0.767 nan 8.360 nan 0.000 0.477 940 E N 0.693 121.071 120.200 0.297 0.000 2.072 940 E HA -0.067 4.282 4.350 -0.000 0.000 0.190 940 E C 2.329 179.060 176.600 0.219 0.000 0.982 940 E CA 1.226 57.794 56.400 0.280 0.000 0.803 940 E CB 0.104 29.929 29.700 0.208 0.000 0.755 940 E HN 0.120 nan 8.360 nan 0.000 0.453 941 V N 1.425 121.412 119.914 0.122 0.000 2.427 941 V HA -0.232 3.888 4.120 -0.000 0.000 0.248 941 V C 2.248 178.303 176.094 -0.066 0.000 1.051 941 V CA 1.609 63.918 62.300 0.015 0.000 1.048 941 V CB -0.485 31.311 31.823 -0.045 0.000 0.666 941 V HN 0.186 nan 8.190 nan 0.000 0.456 942 R N -0.936 119.544 120.500 -0.032 0.000 2.066 942 R HA -0.179 4.161 4.340 -0.000 0.000 0.232 942 R C 2.265 178.514 176.300 -0.085 0.000 1.131 942 R CA 1.884 57.906 56.100 -0.130 0.000 0.955 942 R CB -0.477 29.845 30.300 0.036 0.000 0.851 942 R HN 0.720 nan 8.270 nan 0.000 0.432 943 W N 3.713 124.892 121.300 -0.202 0.000 2.335 943 W HA -0.253 4.407 4.660 -0.000 0.000 0.311 943 W C 1.567 178.006 176.519 -0.134 0.000 1.213 943 W CA 1.895 59.076 57.345 -0.273 0.000 1.274 943 W CB -0.072 29.337 29.460 -0.084 0.000 1.148 943 W HN 0.050 nan 8.180 nan 0.000 0.498 944 K N -0.069 120.279 120.400 -0.086 0.000 2.362 944 K HA -0.139 4.181 4.320 -0.000 0.000 0.200 944 K C 1.236 177.698 176.600 -0.231 0.000 1.046 944 K CA 1.523 57.703 56.287 -0.179 0.000 0.952 944 K CB -0.543 31.968 32.500 0.018 0.000 0.753 944 K HN 0.021 nan 8.250 nan 0.000 0.466 945 N N 0.324 118.897 118.700 -0.213 0.000 2.254 945 N HA 0.085 4.825 4.740 -0.000 0.000 0.190 945 N C 0.038 175.469 175.510 -0.132 0.000 1.107 945 N CA -0.018 52.924 53.050 -0.180 0.000 0.869 945 N CB 0.248 38.595 38.487 -0.234 0.000 0.983 945 N HN 0.265 nan 8.380 nan 0.000 0.487 946 M N 0.709 120.186 119.600 -0.205 0.000 2.252 946 M HA 0.010 4.490 4.480 -0.000 0.000 0.333 946 M C -0.172 175.944 176.300 -0.306 0.000 1.111 946 M CA 0.009 55.170 55.300 -0.231 0.000 1.140 946 M CB 0.573 32.927 32.600 -0.409 0.000 1.538 946 M HN 0.021 nan 8.290 nan 0.000 0.448 947 Y N 2.684 122.795 120.300 -0.315 0.000 2.335 947 Y HA 0.112 4.662 4.550 -0.000 0.000 0.348 947 Y C 0.139 175.715 175.900 -0.540 0.000 1.280 947 Y CA 0.249 58.024 58.100 -0.543 0.000 1.504 947 Y CB 0.592 38.458 38.460 -0.990 0.000 1.366 947 Y HN 0.477 nan 8.280 nan 0.000 0.621 948 K N 0.496 120.715 120.400 -0.302 0.000 2.385 948 K HA 0.216 4.536 4.320 -0.000 0.000 0.248 948 K C -1.140 175.308 176.600 -0.253 0.000 0.955 948 K CA -1.291 54.868 56.287 -0.213 0.000 0.816 948 K CB 1.739 34.150 32.500 -0.148 0.000 1.250 948 K HN 0.432 nan 8.250 nan 0.000 0.434 949 E N 0.524 120.675 120.200 -0.083 0.000 2.694 949 E HA -0.019 4.331 4.350 -0.000 0.000 0.250 949 E C 0.751 177.287 176.600 -0.107 0.000 0.963 949 E CA 1.971 58.340 56.400 -0.051 0.000 0.949 949 E CB -0.220 29.494 29.700 0.022 0.000 0.911 949 E HN 0.719 nan 8.360 nan 0.000 0.500 950 G N 4.030 112.745 108.800 -0.141 0.000 2.213 950 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.236 950 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.236 950 G C 0.053 174.844 174.900 -0.181 0.000 0.991 950 G CA 0.008 45.031 45.100 -0.129 0.000 0.629 950 G HN 0.631 nan 8.290 nan 0.000 0.517 951 D N 0.385 120.629 120.400 -0.260 0.000 2.362 951 D HA 0.451 5.091 4.640 -0.000 0.000 0.238 951 D C 1.056 177.151 176.300 -0.341 0.000 1.212 951 D CA 0.244 54.090 54.000 -0.256 0.000 0.902 951 D CB 0.655 41.325 40.800 -0.216 0.000 1.180 951 D HN 0.299 nan 8.370 nan 0.000 0.445 952 L N 0.758 121.824 121.223 -0.262 0.000 2.334 952 L HA 0.284 4.624 4.340 -0.000 0.000 0.275 952 L C 1.186 177.840 176.870 -0.361 0.000 1.036 952 L CA -0.736 53.921 54.840 -0.305 0.000 0.807 952 L CB 1.639 43.589 42.059 -0.182 0.000 1.231 952 L HN 0.449 nan 8.230 nan 0.000 0.438 953 T N -3.194 111.018 114.554 -0.569 0.000 2.770 953 T HA 0.072 4.422 4.350 -0.000 0.000 0.281 953 T C 1.354 175.899 174.700 -0.258 0.000 0.981 953 T CA -0.387 61.397 62.100 -0.527 0.000 0.955 953 T CB 0.500 68.672 68.868 -1.159 0.000 1.060 953 T HN 0.726 nan 8.240 nan 0.000 0.531 954 H N 0.081 119.082 119.070 -0.115 0.000 2.521 954 H HA -0.009 4.546 4.556 -0.000 0.000 0.286 954 H C 1.039 176.424 175.328 0.095 0.000 1.034 954 H CA 0.835 56.906 56.048 0.039 0.000 1.278 954 H CB -0.818 29.033 29.762 0.149 0.000 1.386 954 H HN 0.759 nan 8.280 nan 0.000 0.567 955 F N 0.334 120.054 119.950 -0.383 0.000 2.750 955 F HA 0.414 4.941 4.527 -0.000 0.000 0.297 955 F C -0.022 175.747 175.800 -0.051 0.000 1.138 955 F CA -1.198 56.669 58.000 -0.222 0.000 1.346 955 F CB -0.289 38.432 39.000 -0.466 0.000 0.965 955 F HN -0.184 nan 8.300 nan 0.000 0.514 956 N N 1.604 120.177 118.700 -0.212 0.000 2.721 956 N HA -0.280 4.460 4.740 -0.000 0.000 0.249 956 N C -0.299 175.110 175.510 -0.168 0.000 1.072 956 N CA 1.026 53.984 53.050 -0.152 0.000 0.710 956 N CB -1.040 37.439 38.487 -0.013 0.000 0.993 956 N HN 0.781 nan 8.380 nan 0.000 0.547 957 Q N 0.182 119.762 119.800 -0.366 0.000 2.293 957 Q HA 0.335 4.675 4.340 -0.000 0.000 0.261 957 Q C -0.024 175.841 176.000 -0.225 0.000 0.960 957 Q CA -0.698 55.000 55.803 -0.176 0.000 0.882 957 Q CB 1.441 30.179 28.738 0.000 0.000 1.275 957 Q HN 0.208 nan 8.270 nan 0.000 0.445 958 R N 3.771 124.203 120.500 -0.113 0.000 2.442 958 R HA 0.177 4.517 4.340 -0.000 0.000 0.291 958 R C -0.781 175.453 176.300 -0.109 0.000 1.069 958 R CA -0.090 55.929 56.100 -0.136 0.000 1.022 958 R CB 0.352 30.609 30.300 -0.072 0.000 0.976 958 R HN 0.618 nan 8.270 nan 0.000 0.443 959 L N 5.368 126.446 121.223 -0.241 0.000 2.282 959 L HA 0.235 4.575 4.340 -0.000 0.000 0.287 959 L C -0.152 176.695 176.870 -0.038 0.000 1.075 959 L CA 0.065 54.784 54.840 -0.203 0.000 0.839 959 L CB 0.888 42.620 42.059 -0.545 0.000 1.219 959 L HN 0.561 nan 8.230 nan 0.000 0.434 960 E N 2.473 122.733 120.200 0.099 0.000 2.166 960 E HA 0.446 4.796 4.350 -0.000 0.000 0.275 960 E C 0.544 177.241 176.600 0.161 0.000 0.941 960 E CA -0.523 55.934 56.400 0.095 0.000 0.784 960 E CB 1.807 31.550 29.700 0.072 0.000 1.115 960 E HN 0.721 nan 8.360 nan 0.000 0.399 961 G N 3.097 111.967 108.800 0.118 0.000 2.289 961 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.280 961 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.280 961 G C -0.452 174.527 174.900 0.130 0.000 1.089 961 G CA -0.299 44.869 45.100 0.114 0.000 0.939 961 G HN 0.487 nan 8.290 nan 0.000 0.499 962 F N 2.377 122.249 119.950 -0.131 0.000 2.468 962 F HA 0.470 4.997 4.527 -0.000 0.000 0.356 962 F C 1.451 176.979 175.800 -0.453 0.000 1.167 962 F CA -0.351 57.391 58.000 -0.429 0.000 1.135 962 F CB 0.653 39.455 39.000 -0.330 0.000 1.197 962 F HN 0.305 nan 8.300 nan 0.000 0.569 963 S N 2.870 118.004 115.700 -0.945 0.000 2.556 963 S HA 0.012 4.482 4.470 -0.000 0.000 0.216 963 S C 1.622 175.857 174.600 -0.609 0.000 0.970 963 S CA 0.321 58.192 58.200 -0.549 0.000 0.912 963 S CB -0.440 62.632 63.200 -0.214 0.000 0.790 963 S HN 0.413 nan 8.310 nan 0.000 0.504 964 V N 2.909 122.122 119.914 -1.167 0.000 2.282 964 V HA -0.114 4.006 4.120 -0.000 0.000 0.249 964 V C -0.298 175.675 176.094 -0.203 0.000 1.057 964 V CA 2.065 63.969 62.300 -0.660 0.000 1.032 964 V CB -1.824 29.472 31.823 -0.878 0.000 0.645 964 V HN 0.392 nan 8.190 nan 0.000 0.447 965 P HA -0.172 nan 4.420 nan 0.000 0.215 965 P C 1.781 179.214 177.300 0.222 0.000 1.157 965 P CA 1.621 64.847 63.100 0.211 0.000 0.874 965 P CB -0.117 31.711 31.700 0.213 0.000 0.790 966 R N -1.174 119.373 120.500 0.077 0.000 2.066 966 R HA -0.098 4.242 4.340 -0.000 0.000 0.232 966 R C 2.354 178.705 176.300 0.085 0.000 1.131 966 R CA 1.700 57.843 56.100 0.072 0.000 0.955 966 R CB -1.352 28.961 30.300 0.021 0.000 0.851 966 R HN 0.252 nan 8.270 nan 0.000 0.432 967 C N -0.266 119.077 119.300 0.071 0.000 2.425 967 C HA -0.136 4.324 4.460 -0.000 0.000 0.277 967 C C 2.382 177.460 174.990 0.147 0.000 1.280 967 C CA 0.035 59.106 59.018 0.089 0.000 1.744 967 C CB -1.090 26.703 27.740 0.087 0.000 1.989 967 C HN 0.662 nan 8.230 nan 0.000 0.491 968 W N 2.132 123.430 121.300 -0.003 0.000 2.378 968 W HA -0.108 4.552 4.660 -0.000 0.000 0.313 968 W C 1.871 178.368 176.519 -0.037 0.000 1.197 968 W CA 1.683 59.032 57.345 0.006 0.000 1.304 968 W CB -0.577 28.947 29.460 0.107 0.000 1.148 968 W HN 0.373 nan 8.180 nan 0.000 0.494 969 D N 0.286 120.800 120.400 0.189 0.000 2.117 969 D HA -0.193 4.447 4.640 -0.000 0.000 0.197 969 D C 1.903 178.178 176.300 -0.042 0.000 0.987 969 D CA 1.704 55.715 54.000 0.019 0.000 0.829 969 D CB -0.496 40.334 40.800 0.050 0.000 0.961 969 D HN 0.413 nan 8.370 nan 0.000 0.460 970 E N 0.042 120.239 120.200 -0.006 0.000 2.110 970 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 970 E C 2.220 178.785 176.600 -0.057 0.000 0.988 970 E CA 0.525 56.913 56.400 -0.021 0.000 0.804 970 E CB -0.122 29.579 29.700 0.001 0.000 0.745 970 E HN 0.233 nan 8.360 nan 0.000 0.458 971 C N 0.697 119.943 119.300 -0.091 0.000 2.466 971 C HA -0.028 4.432 4.460 -0.000 0.000 0.278 971 C C 2.548 177.412 174.990 -0.209 0.000 1.288 971 C CA 0.306 59.243 59.018 -0.135 0.000 1.722 971 C CB -0.955 26.695 27.740 -0.150 0.000 2.017 971 C HN 0.368 nan 8.230 nan 0.000 0.488 972 L N 0.845 121.871 121.223 -0.328 0.000 2.042 972 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 972 L C 2.716 179.501 176.870 -0.142 0.000 1.076 972 L CA 2.155 56.776 54.840 -0.366 0.000 0.749 972 L CB -0.650 41.132 42.059 -0.461 0.000 0.893 972 L HN 0.418 nan 8.230 nan 0.000 0.432 973 K N -0.002 120.347 120.400 -0.085 0.000 2.007 973 K HA -0.155 4.164 4.320 -0.000 0.000 0.206 973 K C 2.303 178.892 176.600 -0.019 0.000 1.047 973 K CA 1.617 57.892 56.287 -0.021 0.000 0.937 973 K CB -0.032 32.460 32.500 -0.013 0.000 0.718 973 K HN 0.307 nan 8.250 nan 0.000 0.438 974 S N -0.000 115.681 115.700 -0.032 0.000 2.447 974 S HA -0.107 4.363 4.470 -0.000 0.000 0.233 974 S C 1.905 176.494 174.600 -0.018 0.000 1.006 974 S CA 1.205 59.392 58.200 -0.021 0.000 0.957 974 S CB -0.224 62.963 63.200 -0.022 0.000 0.773 974 S HN 0.413 nan 8.310 nan 0.000 0.507 975 S N 0.517 116.199 115.700 -0.032 0.000 2.558 975 S HA 0.143 4.613 4.470 -0.000 0.000 0.217 975 S C 0.642 175.239 174.600 -0.006 0.000 0.975 975 S CA 0.070 58.258 58.200 -0.019 0.000 0.912 975 S CB -0.719 62.462 63.200 -0.032 0.000 0.776 975 S HN 0.538 nan 8.310 nan 0.000 0.526 976 Q N -0.486 119.313 119.800 -0.001 0.000 2.453 976 Q HA -0.284 4.056 4.340 -0.000 0.000 0.294 976 Q C 0.247 176.244 176.000 -0.004 0.000 1.295 976 Q CA 0.686 56.497 55.803 0.014 0.000 0.853 976 Q CB -2.282 26.461 28.738 0.009 0.000 1.193 976 Q HN 0.790 nan 8.270 nan 0.000 0.461 977 Y N -0.239 119.943 120.300 -0.198 0.000 2.030 977 Y HA -0.385 4.165 4.550 -0.000 0.000 0.272 977 Y C 1.643 177.379 175.900 -0.273 0.000 1.185 977 Y CA 2.728 60.637 58.100 -0.318 0.000 1.120 977 Y CB -0.519 37.595 38.460 -0.577 0.000 0.955 977 Y HN 0.405 nan 8.280 nan 0.000 0.495 978 Y N -0.581 119.691 120.300 -0.046 0.000 2.165 978 Y HA -0.241 4.309 4.550 -0.000 0.000 0.286 978 Y C 2.704 178.521 175.900 -0.139 0.000 1.155 978 Y CA 1.135 59.159 58.100 -0.128 0.000 1.164 978 Y CB -0.957 37.504 38.460 0.001 0.000 0.978 978 Y HN 0.253 nan 8.280 nan 0.000 0.513 979 A N 0.492 123.350 122.820 0.063 0.000 1.902 979 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 979 A C 2.154 179.715 177.584 -0.039 0.000 1.181 979 A CA 1.739 53.786 52.037 0.018 0.000 0.623 979 A CB -0.543 18.471 19.000 0.024 0.000 0.818 979 A HN 0.428 nan 8.150 nan 0.000 0.443 980 R N -0.679 119.767 120.500 -0.091 0.000 2.189 980 R HA -0.014 4.326 4.340 -0.000 0.000 0.218 980 R C 2.229 178.432 176.300 -0.162 0.000 1.074 980 R CA 1.100 57.133 56.100 -0.112 0.000 0.991 980 R CB -0.170 30.060 30.300 -0.116 0.000 0.883 980 R HN 0.542 nan 8.270 nan 0.000 0.457 981 K N 0.902 121.145 120.400 -0.262 0.000 2.057 981 K HA -0.145 4.175 4.320 -0.000 0.000 0.207 981 K C 2.045 178.578 176.600 -0.112 0.000 1.049 981 K CA 1.928 58.053 56.287 -0.271 0.000 0.931 981 K CB 0.020 32.288 32.500 -0.387 0.000 0.714 981 K HN 0.191 nan 8.250 nan 0.000 0.440 982 S N 0.398 116.059 115.700 -0.065 0.000 2.402 982 S HA -0.111 4.358 4.470 -0.000 0.000 0.229 982 S C 1.622 176.219 174.600 -0.005 0.000 1.021 982 S CA 0.975 59.163 58.200 -0.020 0.000 0.974 982 S CB -0.199 62.999 63.200 -0.004 0.000 0.800 982 S HN 0.381 nan 8.310 nan 0.000 0.484 983 E N 0.897 121.090 120.200 -0.012 0.000 2.150 983 E HA -0.038 4.312 4.350 -0.000 0.000 0.193 983 E C 2.030 178.654 176.600 0.040 0.000 0.985 983 E CA 1.044 57.453 56.400 0.015 0.000 0.814 983 E CB -0.305 29.395 29.700 0.000 0.000 0.752 983 E HN 0.400 nan 8.360 nan 0.000 0.466 984 V N 1.998 121.913 119.914 0.002 0.000 2.358 984 V HA -0.223 3.897 4.120 -0.000 0.000 0.246 984 V C 1.719 177.864 176.094 0.085 0.000 1.047 984 V CA 1.822 64.136 62.300 0.024 0.000 1.035 984 V CB -0.358 31.444 31.823 -0.035 0.000 0.658 984 V HN 0.212 nan 8.190 nan 0.000 0.452 985 D N -0.063 120.363 120.400 0.043 0.000 2.144 985 D HA -0.200 4.440 4.640 -0.000 0.000 0.199 985 D C 2.112 178.445 176.300 0.055 0.000 0.984 985 D CA 1.406 55.432 54.000 0.044 0.000 0.834 985 D CB -0.114 40.697 40.800 0.020 0.000 0.955 985 D HN 0.436 nan 8.370 nan 0.000 0.465 986 K N 0.063 120.500 120.400 0.062 0.000 2.002 986 K HA -0.167 4.153 4.320 -0.000 0.000 0.209 986 K C 2.183 178.823 176.600 0.066 0.000 1.048 986 K CA 0.792 57.110 56.287 0.052 0.000 0.930 986 K CB -0.370 32.162 32.500 0.054 0.000 0.714 986 K HN 0.019 nan 8.250 nan 0.000 0.438 987 F N 2.351 122.293 119.950 -0.013 0.000 2.120 987 F HA -0.257 4.270 4.527 -0.000 0.000 0.300 987 F C 1.676 177.471 175.800 -0.010 0.000 1.095 987 F CA 1.752 59.747 58.000 -0.008 0.000 1.249 987 F CB -0.210 38.783 39.000 -0.012 0.000 0.995 987 F HN 0.181 nan 8.300 nan 0.000 0.480 988 N N 0.487 119.274 118.700 0.145 0.000 2.396 988 N HA -0.110 4.630 4.740 -0.000 0.000 0.180 988 N C 1.546 177.012 175.510 -0.072 0.000 1.028 988 N CA 1.057 54.135 53.050 0.046 0.000 0.893 988 N CB -0.249 38.291 38.487 0.088 0.000 0.967 988 N HN 0.441 nan 8.380 nan 0.000 0.440 989 K N 0.688 121.048 120.400 -0.067 0.000 2.186 989 K HA 0.060 4.380 4.320 -0.000 0.000 0.202 989 K C 1.057 177.591 176.600 -0.109 0.000 1.052 989 K CA 0.645 56.887 56.287 -0.076 0.000 0.965 989 K CB 0.187 32.661 32.500 -0.043 0.000 0.746 989 K HN 0.297 nan 8.250 nan 0.000 0.457 990 E N 0.575 120.680 120.200 -0.159 0.000 2.479 990 E HA 0.057 4.407 4.350 -0.000 0.000 0.193 990 E C -0.215 176.238 176.600 -0.246 0.000 1.049 990 E CA 0.118 56.413 56.400 -0.175 0.000 0.870 990 E CB 0.220 29.817 29.700 -0.171 0.000 0.944 990 E HN 0.191 nan 8.360 nan 0.000 0.492 991 N N 0.247 118.754 118.700 -0.320 0.000 2.352 991 N HA 0.086 4.825 4.740 -0.000 0.000 0.291 991 N C -0.597 174.787 175.510 -0.210 0.000 1.040 991 N CA -0.251 52.615 53.050 -0.307 0.000 0.864 991 N CB 1.959 40.076 38.487 -0.617 0.000 1.440 991 N HN -0.026 nan 8.380 nan 0.000 0.483 992 C N 1.653 120.832 119.300 -0.201 0.000 2.527 992 C HA 0.216 4.676 4.460 -0.000 0.000 0.280 992 C C 0.917 175.557 174.990 -0.584 0.000 1.353 992 C CA -0.089 58.660 59.018 -0.449 0.000 1.749 992 C CB -0.594 26.815 27.740 -0.552 0.000 2.088 992 C HN 0.859 nan 8.230 nan 0.000 0.508 993 W N 1.633 122.965 121.300 0.052 0.000 2.966 993 W HA 0.437 5.097 4.660 -0.000 0.000 0.406 993 W C 0.398 176.975 176.519 0.098 0.000 1.027 993 W CA -0.323 57.073 57.345 0.085 0.000 1.930 993 W CB 0.163 29.648 29.460 0.040 0.000 1.144 993 W HN 0.035 nan 8.180 nan 0.000 0.626 994 K N 1.124 121.659 120.400 0.225 0.000 2.523 994 K HA 0.444 4.764 4.320 -0.000 0.000 0.257 994 K C -0.466 176.318 176.600 0.307 0.000 0.932 994 K CA -0.958 55.496 56.287 0.277 0.000 0.812 994 K CB 2.676 35.383 32.500 0.345 0.000 1.326 994 K HN -0.394 nan 8.250 nan 0.000 0.433 995 K N 1.996 122.589 120.400 0.322 0.000 2.508 995 K HA 0.497 4.816 4.320 -0.000 0.000 0.260 995 K C -0.796 175.915 176.600 0.185 0.000 0.949 995 K CA -0.824 55.642 56.287 0.299 0.000 0.834 995 K CB 2.494 35.080 32.500 0.143 0.000 1.365 995 K HN 0.545 nan 8.250 nan 0.000 0.437 996 R N -0.294 120.281 120.500 0.126 0.000 2.778 996 R HA 0.740 5.080 4.340 -0.000 0.000 0.277 996 R C -0.140 176.159 176.300 -0.002 0.000 0.977 996 R CA -1.020 55.049 56.100 -0.052 0.000 0.950 996 R CB 2.073 32.218 30.300 -0.260 0.000 1.165 996 R HN 0.756 nan 8.270 nan 0.000 0.474 997 G N 1.079 109.866 108.800 -0.021 0.000 2.620 997 G HA2 0.587 4.547 3.960 -0.000 0.000 0.301 997 G HA3 0.587 4.547 3.960 -0.000 0.000 0.301 997 G C -2.058 172.844 174.900 0.002 0.000 1.347 997 G CA -0.419 44.683 45.100 0.005 0.000 0.971 997 G HN 0.332 nan 8.290 nan 0.000 0.488 998 L N 1.014 122.250 121.223 0.022 0.000 2.436 998 L HA 0.848 5.188 4.340 -0.000 0.000 0.268 998 L C -0.966 175.981 176.870 0.129 0.000 0.974 998 L CA -0.617 54.248 54.840 0.041 0.000 0.826 998 L CB 1.887 43.916 42.059 -0.051 0.000 1.291 998 L HN 0.772 nan 8.230 nan 0.000 0.406 999 C N 5.741 125.140 119.300 0.166 0.000 2.891 999 C HA 0.658 5.118 4.460 -0.000 0.000 0.342 999 C C -1.220 173.838 174.990 0.112 0.000 1.126 999 C CA -0.837 58.287 59.018 0.178 0.000 1.322 999 C CB 0.899 28.749 27.740 0.184 0.000 1.763 999 C HN 0.909 nan 8.230 nan 0.000 0.491 1000 I N 7.556 128.125 120.570 -0.001 0.000 2.418 1000 I HA 0.731 4.901 4.170 -0.000 0.000 0.287 1000 I C -0.675 175.455 176.117 0.023 0.000 1.008 1000 I CA -0.642 60.567 61.300 -0.151 0.000 1.104 1000 I CB 1.049 38.659 38.000 -0.651 0.000 1.264 1000 I HN 0.784 nan 8.210 nan 0.000 0.438 1001 I N 6.744 127.393 120.570 0.133 0.000 2.828 1001 I HA 0.805 4.975 4.170 -0.000 0.000 0.302 1001 I C -2.991 173.334 176.117 0.347 0.000 1.101 1001 I CA -2.024 59.443 61.300 0.278 0.000 1.031 1001 I CB 2.429 40.529 38.000 0.167 0.000 1.231 1001 I HN 0.269 nan 8.210 nan 0.000 0.427 1002 P HA 0.567 nan 4.420 nan 0.000 0.293 1002 P C -1.054 176.425 177.300 0.299 0.000 1.305 1002 P CA -0.506 62.790 63.100 0.326 0.000 0.874 1002 P CB 2.704 34.556 31.700 0.255 0.000 1.288 1003 T N -1.677 113.043 114.554 0.277 0.000 2.830 1003 T HA 0.523 4.873 4.350 -0.000 0.000 0.322 1003 T C -1.957 172.925 174.700 0.304 0.000 1.501 1003 T CA -0.677 61.606 62.100 0.306 0.000 1.036 1003 T CB 1.056 70.198 68.868 0.456 0.000 1.379 1003 T HN 0.732 nan 8.240 nan 0.000 0.493 1004 K N 2.062 122.640 120.400 0.297 0.000 2.498 1004 K HA 0.743 5.063 4.320 -0.000 0.000 0.254 1004 K C -2.126 174.680 176.600 0.342 0.000 0.933 1004 K CA -0.871 55.580 56.287 0.272 0.000 0.806 1004 K CB 1.985 34.689 32.500 0.341 0.000 1.301 1004 K HN 0.434 nan 8.250 nan 0.000 0.432 1005 F N 1.467 121.462 119.950 0.075 0.000 2.539 1005 F HA 0.491 5.018 4.527 -0.000 0.000 0.318 1005 F C -0.131 175.591 175.800 -0.131 0.000 1.135 1005 F CA -0.296 57.744 58.000 0.068 0.000 0.915 1005 F CB 2.129 41.082 39.000 -0.078 0.000 1.176 1005 F HN 0.791 nan 8.300 nan 0.000 0.440 1006 G N 6.563 114.950 108.800 -0.688 0.000 2.361 1006 G HA2 0.411 4.371 3.960 -0.000 0.000 0.260 1006 G HA3 0.411 4.371 3.960 -0.000 0.000 0.260 1006 G C -0.683 173.339 174.900 -1.464 0.000 1.261 1006 G CA -0.439 43.511 45.100 -1.916 0.000 0.897 1006 G HN 0.477 nan 8.290 nan 0.000 0.499 1007 I N 1.618 121.585 120.570 -1.006 0.000 2.304 1007 I HA 0.502 4.672 4.170 -0.000 0.000 0.291 1007 I C 0.336 176.273 176.117 -0.300 0.000 1.018 1007 I CA -0.206 60.730 61.300 -0.606 0.000 1.260 1007 I CB 0.001 37.419 38.000 -0.970 0.000 1.390 1007 I HN 0.455 nan 8.210 nan 0.000 0.475 1008 S N 4.680 120.290 115.700 -0.151 0.000 2.998 1008 S HA 0.107 4.577 4.470 -0.000 0.000 0.237 1008 S C -0.635 173.948 174.600 -0.029 0.000 0.615 1008 S CA -0.947 57.216 58.200 -0.061 0.000 0.917 1008 S CB -0.101 63.091 63.200 -0.013 0.000 1.140 1008 S HN 0.314 nan 8.310 nan 0.000 0.604 1009 F N 2.370 122.260 119.950 -0.100 0.000 2.602 1009 F HA 0.101 4.628 4.527 -0.000 0.000 0.367 1009 F C 2.404 178.141 175.800 -0.105 0.000 1.126 1009 F CA 1.090 59.012 58.000 -0.130 0.000 1.321 1009 F CB 0.609 39.506 39.000 -0.172 0.000 1.094 1009 F HN 0.824 nan 8.300 nan 0.000 0.594 1010 T N -1.109 113.537 114.554 0.154 0.000 2.929 1010 T HA -0.055 4.295 4.350 -0.000 0.000 0.271 1010 T C 0.603 175.359 174.700 0.093 0.000 1.085 1010 T CA 0.460 62.650 62.100 0.149 0.000 1.125 1010 T CB -0.500 68.570 68.868 0.337 0.000 0.874 1010 T HN 0.186 nan 8.240 nan 0.000 0.494 1011 V N 4.146 124.077 119.914 0.029 0.000 2.372 1011 V HA 0.202 4.322 4.120 -0.000 0.000 0.261 1011 V C -1.222 174.701 176.094 -0.285 0.000 1.055 1011 V CA -1.633 60.549 62.300 -0.197 0.000 0.930 1011 V CB 1.097 32.662 31.823 -0.430 0.000 1.031 1011 V HN 0.196 nan 8.190 nan 0.000 0.479 1012 P HA -0.221 nan 4.420 nan 0.000 0.214 1012 P C 1.567 178.794 177.300 -0.121 0.000 1.169 1012 P CA 1.626 64.656 63.100 -0.116 0.000 0.908 1012 P CB -0.050 31.635 31.700 -0.025 0.000 0.791 1013 F N -1.570 118.344 119.950 -0.060 0.000 2.494 1013 F HA -0.006 4.521 4.527 -0.000 0.000 0.298 1013 F C 1.547 177.254 175.800 -0.155 0.000 1.106 1013 F CA 0.759 58.708 58.000 -0.086 0.000 1.452 1013 F CB -1.766 37.197 39.000 -0.062 0.000 1.085 1013 F HN -0.152 nan 8.300 nan 0.000 0.569 1014 L N 0.561 121.551 121.223 -0.388 0.000 2.395 1014 L HA -0.004 4.336 4.340 -0.000 0.000 0.218 1014 L C 0.744 177.342 176.870 -0.453 0.000 1.130 1014 L CA 0.348 54.860 54.840 -0.547 0.000 0.826 1014 L CB -0.658 40.690 42.059 -1.185 0.000 0.941 1014 L HN 0.142 nan 8.230 nan 0.000 0.451 1015 N N 2.624 121.210 118.700 -0.189 0.000 3.178 1015 N HA 0.047 4.787 4.740 -0.000 0.000 0.300 1015 N C -0.424 174.992 175.510 -0.157 0.000 1.242 1015 N CA 0.195 53.209 53.050 -0.059 0.000 1.192 1015 N CB 0.231 38.701 38.487 -0.027 0.000 1.463 1015 N HN 0.529 nan 8.380 nan 0.000 0.539 1016 Q N -0.869 118.818 119.800 -0.189 0.000 2.416 1016 Q HA 0.825 5.165 4.340 -0.000 0.000 0.281 1016 Q C -1.815 173.976 176.000 -0.349 0.000 1.067 1016 Q CA -1.270 54.343 55.803 -0.316 0.000 0.809 1016 Q CB 2.237 30.890 28.738 -0.141 0.000 1.418 1016 Q HN 0.085 nan 8.270 nan 0.000 0.411 1017 A N 0.686 123.160 122.820 -0.576 0.000 2.547 1017 A HA 0.905 5.225 4.320 -0.000 0.000 0.297 1017 A C -0.897 176.560 177.584 -0.211 0.000 1.056 1017 A CA -0.132 51.691 52.037 -0.356 0.000 0.688 1017 A CB 1.942 20.543 19.000 -0.665 0.000 1.282 1017 A HN 0.948 nan 8.150 nan 0.000 0.400 1018 G N -0.456 108.491 108.800 0.246 0.000 2.533 1018 G HA2 0.913 4.873 3.960 -0.000 0.000 0.304 1018 G HA3 0.913 4.873 3.960 -0.000 0.000 0.304 1018 G C -0.577 174.528 174.900 0.342 0.000 1.263 1018 G CA -0.012 45.319 45.100 0.384 0.000 0.964 1018 G HN 1.932 nan 8.290 nan 0.000 0.479 1019 A N -0.351 122.626 122.820 0.261 0.000 2.566 1019 A HA 0.835 5.155 4.320 -0.000 0.000 0.292 1019 A C -1.878 175.766 177.584 0.100 0.000 1.112 1019 A CA -0.628 51.525 52.037 0.192 0.000 0.707 1019 A CB 2.134 21.247 19.000 0.189 0.000 1.302 1019 A HN 1.566 nan 8.150 nan 0.000 0.409 1020 L N 1.093 122.327 121.223 0.018 0.000 2.438 1020 L HA 0.799 5.139 4.340 -0.000 0.000 0.270 1020 L C -1.580 175.161 176.870 -0.216 0.000 0.972 1020 L CA -0.152 54.632 54.840 -0.093 0.000 0.831 1020 L CB 1.366 43.358 42.059 -0.113 0.000 1.273 1020 L HN 0.616 nan 8.230 nan 0.000 0.405 1021 I N 4.558 124.976 120.570 -0.253 0.000 2.533 1021 I HA 0.455 4.625 4.170 -0.000 0.000 0.290 1021 I C -1.044 174.894 176.117 -0.299 0.000 1.056 1021 I CA -0.751 60.404 61.300 -0.242 0.000 1.057 1021 I CB 1.846 39.815 38.000 -0.052 0.000 1.240 1021 I HN 0.550 nan 8.210 nan 0.000 0.423 1022 H N 5.044 124.074 119.070 -0.067 0.000 2.538 1022 H HA 0.523 5.079 4.556 -0.000 0.000 0.353 1022 H C -0.936 174.238 175.328 -0.257 0.000 1.109 1022 H CA -0.775 55.136 56.048 -0.229 0.000 1.192 1022 H CB 2.652 32.147 29.762 -0.444 0.000 1.555 1022 H HN 0.158 nan 8.280 nan 0.000 0.518 1023 V N 4.471 124.313 119.914 -0.119 0.000 2.378 1023 V HA 0.194 4.314 4.120 -0.000 0.000 0.288 1023 V C -0.373 175.606 176.094 -0.191 0.000 1.016 1023 V CA -0.770 61.506 62.300 -0.039 0.000 0.840 1023 V CB 0.224 32.086 31.823 0.064 0.000 0.994 1023 V HN 0.582 nan 8.190 nan 0.000 0.431 1024 Y N 1.923 122.264 120.300 0.068 0.000 2.295 1024 Y HA 0.189 4.739 4.550 -0.000 0.000 0.331 1024 Y C 2.166 178.020 175.900 -0.076 0.000 1.311 1024 Y CA 0.247 58.334 58.100 -0.021 0.000 1.430 1024 Y CB 0.808 39.258 38.460 -0.017 0.000 1.339 1024 Y HN 0.755 nan 8.280 nan 0.000 0.552 1025 T N -3.227 111.323 114.554 -0.007 0.000 3.077 1025 T HA -0.171 4.179 4.350 -0.000 0.000 0.269 1025 T C 0.740 175.402 174.700 -0.064 0.000 1.146 1025 T CA 1.291 63.306 62.100 -0.140 0.000 1.091 1025 T CB -0.380 68.279 68.868 -0.349 0.000 0.892 1025 T HN 0.749 nan 8.240 nan 0.000 0.533 1026 D N 0.297 120.705 120.400 0.013 0.000 2.349 1026 D HA 0.226 4.866 4.640 -0.000 0.000 0.214 1026 D C 1.649 177.998 176.300 0.082 0.000 1.063 1026 D CA 0.461 54.475 54.000 0.023 0.000 0.847 1026 D CB -0.554 40.258 40.800 0.020 0.000 0.933 1026 D HN 0.540 nan 8.370 nan 0.000 0.513 1027 G N 0.665 109.531 108.800 0.110 0.000 2.199 1027 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.254 1027 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.254 1027 G C 0.418 175.580 174.900 0.437 0.000 0.982 1027 G CA 0.417 45.671 45.100 0.257 0.000 0.632 1027 G HN 0.820 nan 8.290 nan 0.000 0.529 1028 S N -0.387 115.486 115.700 0.287 0.000 2.564 1028 S HA 0.636 5.106 4.470 -0.000 0.000 0.278 1028 S C 0.101 174.902 174.600 0.335 0.000 1.333 1028 S CA -0.021 58.340 58.200 0.267 0.000 1.048 1028 S CB 2.351 65.659 63.200 0.181 0.000 0.900 1028 S HN 1.113 nan 8.310 nan 0.000 0.505 1029 V N 3.413 123.495 119.914 0.280 0.000 2.459 1029 V HA 0.500 4.620 4.120 -0.000 0.000 0.295 1029 V C -0.474 175.773 176.094 0.254 0.000 1.029 1029 V CA -0.855 61.597 62.300 0.253 0.000 0.874 1029 V CB 1.279 33.221 31.823 0.198 0.000 0.985 1029 V HN 0.875 nan 8.190 nan 0.000 0.438 1030 L N 6.458 127.834 121.223 0.255 0.000 2.294 1030 L HA 0.639 4.979 4.340 -0.000 0.000 0.283 1030 L C -0.455 176.469 176.870 0.090 0.000 1.015 1030 L CA 0.100 55.093 54.840 0.254 0.000 0.831 1030 L CB 1.466 43.788 42.059 0.438 0.000 1.217 1030 L HN 0.456 nan 8.230 nan 0.000 0.420 1031 V N 3.950 123.891 119.914 0.046 0.000 2.472 1031 V HA 0.670 4.790 4.120 -0.000 0.000 0.290 1031 V C 0.089 176.151 176.094 -0.052 0.000 1.037 1031 V CA -0.334 61.964 62.300 -0.002 0.000 0.908 1031 V CB 1.585 33.431 31.823 0.038 0.000 0.985 1031 V HN 0.840 nan 8.190 nan 0.000 0.454 1032 S N 3.353 119.015 115.700 -0.063 0.000 2.538 1032 S HA 0.803 5.273 4.470 -0.000 0.000 0.288 1032 S C -1.001 173.573 174.600 -0.043 0.000 1.108 1032 S CA -0.606 57.517 58.200 -0.128 0.000 0.971 1032 S CB 0.998 64.127 63.200 -0.119 0.000 1.041 1032 S HN 1.090 nan 8.310 nan 0.000 0.483 1033 H N 0.258 119.268 119.070 -0.100 0.000 2.977 1033 H HA 0.655 5.211 4.556 -0.000 0.000 0.350 1033 H C 1.015 176.209 175.328 -0.222 0.000 1.238 1033 H CA -0.489 55.498 56.048 -0.101 0.000 1.124 1033 H CB 0.619 30.319 29.762 -0.104 0.000 1.866 1033 H HN 0.553 nan 8.280 nan 0.000 0.550 1034 G N -0.216 108.508 108.800 -0.125 0.000 2.509 1034 G HA2 0.129 4.089 3.960 -0.000 0.000 0.218 1034 G HA3 0.129 4.089 3.960 -0.000 0.000 0.218 1034 G C 0.723 175.363 174.900 -0.434 0.000 1.124 1034 G CA 0.230 45.240 45.100 -0.150 0.000 0.776 1034 G HN 0.874 nan 8.290 nan 0.000 0.547 1035 G N -0.296 107.921 108.800 -0.972 0.000 2.539 1035 G HA2 0.462 4.422 3.960 -0.000 0.000 0.258 1035 G HA3 0.462 4.422 3.960 -0.000 0.000 0.258 1035 G C 0.038 174.826 174.900 -0.187 0.000 1.202 1035 G CA 0.433 45.232 45.100 -0.502 0.000 0.851 1035 G HN 0.423 nan 8.290 nan 0.000 0.556 1036 T N -1.848 112.635 114.554 -0.119 0.000 2.932 1036 T HA 0.579 4.929 4.350 -0.000 0.000 0.289 1036 T C -0.632 173.921 174.700 -0.245 0.000 1.039 1036 T CA -0.836 61.187 62.100 -0.129 0.000 1.024 1036 T CB 2.337 71.152 68.868 -0.088 0.000 1.090 1036 T HN 0.451 nan 8.240 nan 0.000 0.496 1037 E N 1.870 121.897 120.200 -0.288 0.000 2.115 1037 E HA 0.426 4.776 4.350 -0.000 0.000 0.282 1037 E C 0.333 176.857 176.600 -0.126 0.000 0.987 1037 E CA -0.705 55.520 56.400 -0.292 0.000 0.797 1037 E CB 0.734 30.265 29.700 -0.282 0.000 1.086 1037 E HN 0.765 nan 8.360 nan 0.000 0.397 1038 M N 2.466 121.993 119.600 -0.122 0.000 2.502 1038 M HA 0.497 4.977 4.480 -0.000 0.000 0.351 1038 M C 0.788 177.023 176.300 -0.109 0.000 1.118 1038 M CA 0.143 55.359 55.300 -0.140 0.000 0.952 1038 M CB 0.772 33.230 32.600 -0.237 0.000 1.424 1038 M HN 0.577 nan 8.290 nan 0.000 0.529 1039 G N 1.653 110.453 108.800 0.001 0.000 2.231 1039 G HA2 -0.254 3.705 3.960 -0.000 0.000 0.206 1039 G HA3 -0.254 3.705 3.960 -0.000 0.000 0.206 1039 G C 0.836 175.802 174.900 0.109 0.000 0.996 1039 G CA 0.344 45.484 45.100 0.066 0.000 0.645 1039 G HN 0.601 nan 8.290 nan 0.000 0.498 1040 Q N 1.632 121.450 119.800 0.029 0.000 2.472 1040 Q HA 0.310 4.649 4.340 -0.000 0.000 0.208 1040 Q C 1.591 177.593 176.000 0.004 0.000 0.958 1040 Q CA 1.463 57.276 55.803 0.016 0.000 0.932 1040 Q CB -0.423 28.297 28.738 -0.031 0.000 1.007 1040 Q HN 1.979 nan 8.270 nan 0.000 0.508 1041 G N 1.727 110.518 108.800 -0.015 0.000 2.182 1041 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.248 1041 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.248 1041 G C 0.319 175.095 174.900 -0.207 0.000 1.042 1041 G CA 0.387 45.348 45.100 -0.232 0.000 0.775 1041 G HN 0.402 nan 8.290 nan 0.000 0.501 1042 L N 0.117 121.223 121.223 -0.195 0.000 1.994 1042 L HA 0.037 4.377 4.340 -0.000 0.000 0.208 1042 L C 2.582 179.385 176.870 -0.111 0.000 1.071 1042 L CA 2.891 57.631 54.840 -0.167 0.000 0.745 1042 L CB -0.548 41.397 42.059 -0.190 0.000 0.892 1042 L HN 0.404 nan 8.230 nan 0.000 0.431 1043 H N -0.872 118.166 119.070 -0.053 0.000 2.387 1043 H HA -0.101 4.455 4.556 -0.000 0.000 0.299 1043 H C 2.156 177.428 175.328 -0.093 0.000 1.099 1043 H CA 1.796 57.831 56.048 -0.022 0.000 1.315 1043 H CB -1.009 28.723 29.762 -0.051 0.000 1.380 1043 H HN 0.377 nan 8.280 nan 0.000 0.513 1044 T N 1.248 115.761 114.554 -0.067 0.000 2.652 1044 T HA -0.131 4.219 4.350 -0.000 0.000 0.267 1044 T C 2.042 176.712 174.700 -0.050 0.000 1.039 1044 T CA 1.468 63.509 62.100 -0.098 0.000 1.153 1044 T CB -0.008 68.731 68.868 -0.213 0.000 0.863 1044 T HN 0.364 nan 8.240 nan 0.000 0.428 1045 K N 0.394 120.756 120.400 -0.062 0.000 2.103 1045 K HA -0.012 4.308 4.320 -0.000 0.000 0.207 1045 K C 2.367 178.961 176.600 -0.011 0.000 1.048 1045 K CA 1.086 57.352 56.287 -0.034 0.000 0.930 1045 K CB -0.156 32.317 32.500 -0.045 0.000 0.716 1045 K HN 0.245 nan 8.250 nan 0.000 0.444 1046 M N 0.339 119.925 119.600 -0.024 0.000 2.175 1046 M HA -0.106 4.374 4.480 -0.000 0.000 0.264 1046 M C 2.249 178.562 176.300 0.022 0.000 1.063 1046 M CA 1.199 56.484 55.300 -0.024 0.000 1.119 1046 M CB -0.611 31.932 32.600 -0.093 0.000 1.377 1046 M HN -0.059 nan 8.290 nan 0.000 0.415 1047 V N 0.279 120.208 119.914 0.024 0.000 2.427 1047 V HA -0.251 3.869 4.120 -0.000 0.000 0.248 1047 V C 2.392 178.501 176.094 0.025 0.000 1.051 1047 V CA 1.475 63.789 62.300 0.025 0.000 1.048 1047 V CB -0.638 31.195 31.823 0.018 0.000 0.666 1047 V HN 0.510 nan 8.190 nan 0.000 0.456 1048 Q N -0.703 119.110 119.800 0.022 0.000 2.084 1048 Q HA -0.172 4.168 4.340 -0.000 0.000 0.202 1048 Q C 2.365 178.400 176.000 0.058 0.000 0.978 1048 Q CA 1.794 57.611 55.803 0.023 0.000 0.844 1048 Q CB -0.284 28.462 28.738 0.013 0.000 0.898 1048 Q HN 0.523 nan 8.270 nan 0.000 0.426 1049 V N 0.845 120.821 119.914 0.104 0.000 2.295 1049 V HA -0.284 3.836 4.120 -0.000 0.000 0.246 1049 V C 2.255 178.465 176.094 0.193 0.000 1.049 1049 V CA 1.885 64.320 62.300 0.224 0.000 1.024 1049 V CB -0.927 31.005 31.823 0.182 0.000 0.648 1049 V HN 0.412 nan 8.190 nan 0.000 0.447 1050 A N -0.647 122.235 122.820 0.103 0.000 1.902 1050 A HA -0.247 4.073 4.320 -0.000 0.000 0.217 1050 A C 2.573 180.173 177.584 0.026 0.000 1.181 1050 A CA 2.286 54.362 52.037 0.066 0.000 0.623 1050 A CB -0.830 18.196 19.000 0.043 0.000 0.818 1050 A HN 0.518 nan 8.150 nan 0.000 0.443 1051 S N -0.380 115.325 115.700 0.008 0.000 2.356 1051 S HA -0.238 4.232 4.470 -0.000 0.000 0.223 1051 S C 2.138 176.718 174.600 -0.032 0.000 1.032 1051 S CA 2.023 60.198 58.200 -0.041 0.000 1.005 1051 S CB -0.334 62.846 63.200 -0.034 0.000 0.867 1051 S HN 0.628 nan 8.310 nan 0.000 0.449 1052 K N 0.518 120.922 120.400 0.008 0.000 2.001 1052 K HA -0.009 4.311 4.320 -0.000 0.000 0.208 1052 K C 2.276 178.912 176.600 0.061 0.000 1.048 1052 K CA 1.229 57.513 56.287 -0.006 0.000 0.932 1052 K CB -0.648 31.796 32.500 -0.092 0.000 0.715 1052 K HN 0.397 nan 8.250 nan 0.000 0.437 1053 A N 1.210 124.123 122.820 0.154 0.000 1.908 1053 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 1053 A C 2.045 179.648 177.584 0.033 0.000 1.181 1053 A CA 1.421 53.537 52.037 0.132 0.000 0.627 1053 A CB -0.530 18.519 19.000 0.081 0.000 0.818 1053 A HN 0.365 nan 8.150 nan 0.000 0.445 1054 L N -2.014 119.206 121.223 -0.005 0.000 2.509 1054 L HA 0.070 4.410 4.340 -0.000 0.000 0.222 1054 L C 0.306 177.131 176.870 -0.074 0.000 1.123 1054 L CA 0.323 55.138 54.840 -0.041 0.000 0.856 1054 L CB -0.134 41.831 42.059 -0.157 0.000 0.985 1054 L HN 0.332 nan 8.230 nan 0.000 0.456 1055 K N 1.332 121.697 120.400 -0.058 0.000 3.162 1055 K HA -0.176 4.144 4.320 -0.000 0.000 0.268 1055 K C -0.459 176.069 176.600 -0.120 0.000 1.062 1055 K CA 0.582 56.843 56.287 -0.044 0.000 0.769 1055 K CB -1.684 30.837 32.500 0.035 0.000 1.274 1055 K HN 0.511 nan 8.250 nan 0.000 0.478 1056 I N -4.672 115.764 120.570 -0.223 0.000 2.934 1056 I HA 0.648 4.817 4.170 -0.000 0.000 0.306 1056 I C -2.759 173.240 176.117 -0.197 0.000 1.110 1056 I CA -3.286 57.828 61.300 -0.310 0.000 1.019 1056 I CB 2.371 39.955 38.000 -0.694 0.000 1.227 1056 I HN -0.294 nan 8.210 nan 0.000 0.434 1057 P HA 0.210 nan 4.420 nan 0.000 0.269 1057 P C 1.057 178.312 177.300 -0.075 0.000 1.209 1057 P CA -0.302 62.746 63.100 -0.087 0.000 0.776 1057 P CB 0.575 32.237 31.700 -0.063 0.000 0.876 1058 I N 0.078 120.627 120.570 -0.036 0.000 2.567 1058 I HA -0.214 3.956 4.170 -0.000 0.000 0.257 1058 I C 1.568 177.693 176.117 0.014 0.000 1.184 1058 I CA 1.775 63.070 61.300 -0.009 0.000 1.451 1058 I CB -1.005 37.001 38.000 0.011 0.000 1.089 1058 I HN 0.232 nan 8.210 nan 0.000 0.441 1059 S N 1.316 117.020 115.700 0.006 0.000 2.469 1059 S HA -0.091 4.379 4.470 -0.000 0.000 0.238 1059 S C 1.686 176.299 174.600 0.022 0.000 0.998 1059 S CA 0.734 58.946 58.200 0.020 0.000 0.957 1059 S CB -0.486 62.719 63.200 0.008 0.000 0.764 1059 S HN 0.628 nan 8.310 nan 0.000 0.514 1060 K N 0.290 120.689 120.400 -0.002 0.000 2.374 1060 K HA 0.401 4.721 4.320 -0.000 0.000 0.196 1060 K C -0.199 176.437 176.600 0.059 0.000 1.023 1060 K CA 0.071 56.367 56.287 0.014 0.000 1.103 1060 K CB 0.260 32.725 32.500 -0.059 0.000 0.848 1060 K HN 0.449 nan 8.250 nan 0.000 0.528 1061 I N 0.359 120.970 120.570 0.069 0.000 2.530 1061 I HA 0.300 4.470 4.170 -0.000 0.000 0.297 1061 I C -1.134 175.103 176.117 0.199 0.000 1.011 1061 I CA -1.275 60.091 61.300 0.110 0.000 1.107 1061 I CB 1.391 39.421 38.000 0.049 0.000 1.285 1061 I HN -0.120 nan 8.210 nan 0.000 0.436 1062 Y N 5.965 126.288 120.300 0.039 0.000 2.504 1062 Y HA 0.632 5.182 4.550 -0.000 0.000 0.344 1062 Y C -1.392 174.507 175.900 -0.002 0.000 1.023 1062 Y CA -0.929 57.184 58.100 0.021 0.000 1.020 1062 Y CB 1.792 40.269 38.460 0.029 0.000 1.282 1062 Y HN 0.336 nan 8.280 nan 0.000 0.454 1063 I N 4.469 124.641 120.570 -0.665 0.000 2.439 1063 I HA 0.221 4.391 4.170 -0.000 0.000 0.283 1063 I C 0.301 175.896 176.117 -0.870 0.000 1.023 1063 I CA -0.280 60.667 61.300 -0.588 0.000 1.100 1063 I CB 2.065 39.762 38.000 -0.504 0.000 1.238 1063 I HN 0.707 nan 8.210 nan 0.000 0.445 1064 S N 5.237 120.618 115.700 -0.531 0.000 2.387 1064 S HA 0.123 4.592 4.470 -0.000 0.000 0.221 1064 S C 0.429 174.878 174.600 -0.252 0.000 1.041 1064 S CA 0.818 58.828 58.200 -0.318 0.000 0.959 1064 S CB 0.290 63.501 63.200 0.019 0.000 0.843 1064 S HN 0.825 nan 8.310 nan 0.000 0.488 1065 E N -1.367 118.675 120.200 -0.264 0.000 2.402 1065 E HA 0.372 4.722 4.350 -0.000 0.000 0.270 1065 E C -1.681 174.782 176.600 -0.228 0.000 1.131 1065 E CA -1.006 55.279 56.400 -0.190 0.000 0.884 1065 E CB 0.733 30.392 29.700 -0.068 0.000 1.564 1065 E HN -0.014 nan 8.360 nan 0.000 0.456 1066 T N 1.108 115.574 114.554 -0.146 0.000 2.807 1066 T HA 0.648 4.998 4.350 -0.000 0.000 0.279 1066 T C -0.965 173.670 174.700 -0.109 0.000 0.993 1066 T CA -0.554 61.448 62.100 -0.164 0.000 0.970 1066 T CB 1.184 69.969 68.868 -0.140 0.000 0.950 1066 T HN 0.604 nan 8.240 nan 0.000 0.441 1067 S N 0.275 115.914 115.700 -0.101 0.000 2.536 1067 S HA 0.403 4.873 4.470 -0.000 0.000 0.271 1067 S C 1.054 175.618 174.600 -0.060 0.000 1.134 1067 S CA -0.646 57.507 58.200 -0.079 0.000 0.897 1067 S CB 1.354 64.513 63.200 -0.067 0.000 1.094 1067 S HN 0.714 nan 8.310 nan 0.000 0.473 1068 T N -0.820 113.699 114.554 -0.059 0.000 3.025 1068 T HA -0.113 4.237 4.350 -0.000 0.000 0.270 1068 T C 1.114 175.799 174.700 -0.025 0.000 1.126 1068 T CA 1.377 63.453 62.100 -0.039 0.000 1.105 1068 T CB -0.782 68.059 68.868 -0.045 0.000 0.884 1068 T HN 0.773 nan 8.240 nan 0.000 0.522 1069 N N 1.253 119.937 118.700 -0.026 0.000 2.270 1069 N HA 0.011 4.751 4.740 -0.000 0.000 0.198 1069 N C 1.207 176.723 175.510 0.010 0.000 1.117 1069 N CA 0.732 53.776 53.050 -0.009 0.000 0.845 1069 N CB -0.084 38.395 38.487 -0.013 0.000 0.980 1069 N HN 0.641 nan 8.380 nan 0.000 0.486 1070 T N -3.374 111.184 114.554 0.006 0.000 3.056 1070 T HA 0.287 4.637 4.350 -0.000 0.000 0.243 1070 T C 0.354 175.066 174.700 0.021 0.000 0.995 1070 T CA 0.060 62.173 62.100 0.022 0.000 1.091 1070 T CB 0.080 68.953 68.868 0.008 0.000 0.990 1070 T HN -0.106 nan 8.240 nan 0.000 0.464 1071 V N 4.583 124.505 119.914 0.014 0.000 2.419 1071 V HA 0.520 4.640 4.120 -0.000 0.000 0.287 1071 V C -2.572 173.548 176.094 0.044 0.000 1.017 1071 V CA -1.878 60.450 62.300 0.047 0.000 0.844 1071 V CB 2.040 33.901 31.823 0.063 0.000 1.011 1071 V HN 0.341 nan 8.190 nan 0.000 0.429 1072 P HA 0.366 nan 4.420 nan 0.000 0.280 1072 P C -0.260 177.074 177.300 0.057 0.000 1.272 1072 P CA -0.407 62.713 63.100 0.034 0.000 0.819 1072 P CB 0.693 32.403 31.700 0.015 0.000 1.122 1073 N N -1.726 116.993 118.700 0.033 0.000 2.716 1073 N HA -0.139 4.601 4.740 -0.000 0.000 0.250 1073 N C -0.011 175.543 175.510 0.074 0.000 1.033 1073 N CA 1.003 54.075 53.050 0.037 0.000 0.727 1073 N CB -2.088 36.416 38.487 0.028 0.000 0.950 1073 N HN 0.607 nan 8.380 nan 0.000 0.541 1074 S N -1.778 113.969 115.700 0.079 0.000 2.584 1074 S HA 0.514 4.984 4.470 -0.000 0.000 0.273 1074 S C 0.607 175.253 174.600 0.077 0.000 1.311 1074 S CA -0.689 57.585 58.200 0.123 0.000 1.034 1074 S CB 1.935 65.222 63.200 0.145 0.000 0.939 1074 S HN 0.180 nan 8.310 nan 0.000 0.513 1075 S N 3.575 119.318 115.700 0.071 0.000 2.603 1075 S HA 0.405 4.875 4.470 -0.000 0.000 0.268 1075 S C -2.074 172.571 174.600 0.076 0.000 1.317 1075 S CA -0.912 57.262 58.200 -0.042 0.000 1.012 1075 S CB 0.044 63.081 63.200 -0.272 0.000 0.926 1075 S HN 0.746 nan 8.310 nan 0.000 0.539 1076 P HA 0.049 nan 4.420 nan 0.000 0.269 1076 P C -0.712 176.736 177.300 0.247 0.000 1.215 1076 P CA -0.194 62.981 63.100 0.125 0.000 0.780 1076 P CB 0.052 31.818 31.700 0.110 0.000 0.898 1077 T N 1.582 116.238 114.554 0.171 0.000 2.775 1077 T HA 0.465 4.815 4.350 -0.000 0.000 0.281 1077 T C 0.311 175.088 174.700 0.128 0.000 0.908 1077 T CA 0.449 62.657 62.100 0.182 0.000 1.123 1077 T CB -0.585 68.322 68.868 0.066 0.000 0.879 1077 T HN 0.642 nan 8.240 nan 0.000 0.547 1078 A N 2.495 125.398 122.820 0.139 0.000 2.506 1078 A HA 0.844 5.164 4.320 -0.000 0.000 0.305 1078 A C 0.576 177.881 177.584 -0.465 0.000 1.166 1078 A CA -0.265 51.727 52.037 -0.076 0.000 0.638 1078 A CB -0.039 18.976 19.000 0.025 0.000 1.336 1078 A HN 1.559 nan 8.150 nan 0.000 0.493 1079 A N -1.060 121.418 122.820 -0.569 0.000 2.829 1079 A HA 0.034 4.354 4.320 -0.000 0.000 0.267 1079 A C 1.249 178.620 177.584 -0.355 0.000 1.370 1079 A CA 1.870 53.515 52.037 -0.653 0.000 0.900 1079 A CB -2.507 15.644 19.000 -1.415 0.000 1.044 1079 A HN 2.510 nan 8.150 nan 0.000 0.691 1080 S N -4.421 111.145 115.700 -0.223 0.000 3.257 1080 S HA -0.350 4.120 4.470 -0.000 0.000 0.300 1080 S C 1.083 175.614 174.600 -0.115 0.000 1.275 1080 S CA 2.021 60.140 58.200 -0.134 0.000 1.023 1080 S CB -2.388 60.740 63.200 -0.120 0.000 1.180 1080 S HN 2.302 nan 8.310 nan 0.000 0.660 1081 V N -2.250 117.566 119.914 -0.163 0.000 3.621 1081 V HA 0.292 4.412 4.120 -0.000 0.000 0.285 1081 V C 1.643 177.704 176.094 -0.055 0.000 1.346 1081 V CA 0.786 63.025 62.300 -0.102 0.000 1.104 1081 V CB 0.320 32.068 31.823 -0.126 0.000 0.913 1081 V HN 0.357 nan 8.190 nan 0.000 0.432 1082 S N 1.808 117.514 115.700 0.010 0.000 2.374 1082 S HA -0.216 4.254 4.470 -0.000 0.000 0.227 1082 S C 1.982 176.650 174.600 0.112 0.000 1.037 1082 S CA 2.444 60.742 58.200 0.162 0.000 1.024 1082 S CB -0.560 62.792 63.200 0.253 0.000 0.861 1082 S HN 0.775 nan 8.310 nan 0.000 0.456 1083 T N 2.079 116.648 114.554 0.025 0.000 2.708 1083 T HA -0.104 4.246 4.350 -0.000 0.000 0.266 1083 T C 1.442 176.098 174.700 -0.074 0.000 1.037 1083 T CA 1.557 63.646 62.100 -0.018 0.000 1.146 1083 T CB -0.642 68.211 68.868 -0.023 0.000 0.865 1083 T HN 0.317 nan 8.240 nan 0.000 0.435 1084 D N 1.346 121.702 120.400 -0.073 0.000 2.103 1084 D HA -0.102 4.538 4.640 -0.000 0.000 0.190 1084 D C 2.140 178.276 176.300 -0.273 0.000 0.997 1084 D CA 1.331 55.258 54.000 -0.122 0.000 0.833 1084 D CB -0.419 40.378 40.800 -0.006 0.000 0.961 1084 D HN 0.567 nan 8.370 nan 0.000 0.447 1085 I N -2.550 117.873 120.570 -0.245 0.000 2.333 1085 I HA -0.146 4.024 4.170 -0.000 0.000 0.246 1085 I C 1.816 177.706 176.117 -0.378 0.000 1.106 1085 I CA 1.012 62.125 61.300 -0.312 0.000 1.411 1085 I CB -0.754 37.093 38.000 -0.254 0.000 1.082 1085 I HN -0.024 nan 8.210 nan 0.000 0.420 1086 Y N 2.334 122.571 120.300 -0.104 0.000 2.352 1086 Y HA 0.046 4.596 4.550 -0.000 0.000 0.292 1086 Y C 2.800 178.598 175.900 -0.170 0.000 1.136 1086 Y CA 0.916 58.940 58.100 -0.128 0.000 1.227 1086 Y CB -0.484 37.847 38.460 -0.215 0.000 0.991 1086 Y HN 0.246 nan 8.280 nan 0.000 0.545 1087 G N -0.346 108.395 108.800 -0.098 0.000 2.402 1087 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.216 1087 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.216 1087 G C 1.537 176.340 174.900 -0.162 0.000 1.162 1087 G CA 0.639 45.662 45.100 -0.128 0.000 0.777 1087 G HN 0.239 nan 8.290 nan 0.000 0.539 1088 Q N 0.512 120.120 119.800 -0.320 0.000 2.046 1088 Q HA -0.004 4.336 4.340 -0.000 0.000 0.200 1088 Q C 3.036 179.013 176.000 -0.039 0.000 0.975 1088 Q CA 1.384 56.985 55.803 -0.337 0.000 0.836 1088 Q CB -0.713 27.481 28.738 -0.908 0.000 0.896 1088 Q HN 0.429 nan 8.270 nan 0.000 0.428 1089 A N 0.598 123.410 122.820 -0.013 0.000 1.883 1089 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 1089 A C 2.460 180.116 177.584 0.119 0.000 1.186 1089 A CA 1.731 53.829 52.037 0.102 0.000 0.624 1089 A CB -0.785 18.294 19.000 0.131 0.000 0.822 1089 A HN 0.210 nan 8.150 nan 0.000 0.444 1090 V N -1.525 118.448 119.914 0.098 0.000 2.358 1090 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 1090 V C 2.331 178.479 176.094 0.089 0.000 1.047 1090 V CA 2.056 64.409 62.300 0.089 0.000 1.035 1090 V CB -0.971 30.890 31.823 0.063 0.000 0.658 1090 V HN 0.725 nan 8.190 nan 0.000 0.452 1091 Y N 1.178 121.456 120.300 -0.036 0.000 2.145 1091 Y HA -0.214 4.336 4.550 -0.000 0.000 0.286 1091 Y C 2.631 178.531 175.900 0.001 0.000 1.145 1091 Y CA 1.972 60.047 58.100 -0.043 0.000 1.148 1091 Y CB -0.040 38.328 38.460 -0.154 0.000 0.981 1091 Y HN 0.216 nan 8.280 nan 0.000 0.507 1092 E N 0.372 120.658 120.200 0.145 0.000 2.110 1092 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 1092 E C 2.389 178.999 176.600 0.016 0.000 0.988 1092 E CA 1.126 57.579 56.400 0.088 0.000 0.804 1092 E CB -0.706 29.097 29.700 0.172 0.000 0.745 1092 E HN 0.594 nan 8.360 nan 0.000 0.458 1093 A N 0.589 123.433 122.820 0.040 0.000 1.930 1093 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 1093 A C 2.598 180.183 177.584 0.002 0.000 1.175 1093 A CA 1.301 53.358 52.037 0.033 0.000 0.627 1093 A CB -0.803 18.226 19.000 0.048 0.000 0.815 1093 A HN 0.335 nan 8.150 nan 0.000 0.443 1094 C N -0.833 118.443 119.300 -0.040 0.000 2.440 1094 C HA -0.082 4.378 4.460 -0.000 0.000 0.278 1094 C C 2.881 177.826 174.990 -0.074 0.000 1.295 1094 C CA 1.028 60.020 59.018 -0.044 0.000 1.738 1094 C CB -0.974 26.718 27.740 -0.081 0.000 1.987 1094 C HN 0.593 nan 8.230 nan 0.000 0.492 1095 Q N 0.571 120.263 119.800 -0.179 0.000 2.061 1095 Q HA -0.150 4.190 4.340 -0.000 0.000 0.204 1095 Q C 2.237 178.215 176.000 -0.037 0.000 0.984 1095 Q CA 2.087 57.803 55.803 -0.145 0.000 0.846 1095 Q CB -1.335 27.295 28.738 -0.181 0.000 0.902 1095 Q HN 0.627 nan 8.270 nan 0.000 0.421 1096 T N 2.038 116.584 114.554 -0.013 0.000 2.720 1096 T HA -0.119 4.231 4.350 -0.000 0.000 0.268 1096 T C 1.884 176.604 174.700 0.034 0.000 1.037 1096 T CA 0.973 63.084 62.100 0.018 0.000 1.144 1096 T CB -0.106 68.779 68.868 0.028 0.000 0.864 1096 T HN 0.118 nan 8.240 nan 0.000 0.444 1097 I N 1.034 121.632 120.570 0.047 0.000 2.179 1097 I HA -0.087 4.083 4.170 -0.000 0.000 0.242 1097 I C 2.403 178.575 176.117 0.092 0.000 1.088 1097 I CA 1.285 62.633 61.300 0.080 0.000 1.357 1097 I CB -1.283 36.799 38.000 0.136 0.000 1.051 1097 I HN 0.287 nan 8.210 nan 0.000 0.409 1098 L N 0.414 121.694 121.223 0.094 0.000 2.042 1098 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 1098 L C 2.594 179.491 176.870 0.045 0.000 1.076 1098 L CA 1.536 56.431 54.840 0.092 0.000 0.749 1098 L CB -0.641 41.456 42.059 0.065 0.000 0.893 1098 L HN 0.242 nan 8.230 nan 0.000 0.432 1099 K N -0.074 120.344 120.400 0.029 0.000 2.057 1099 K HA -0.162 4.157 4.320 -0.000 0.000 0.207 1099 K C 2.209 178.827 176.600 0.029 0.000 1.049 1099 K CA 1.262 57.559 56.287 0.016 0.000 0.931 1099 K CB -0.154 32.355 32.500 0.014 0.000 0.714 1099 K HN 0.302 nan 8.250 nan 0.000 0.440 1100 R N 0.574 121.105 120.500 0.053 0.000 2.148 1100 R HA -0.004 4.336 4.340 -0.000 0.000 0.227 1100 R C 2.098 178.496 176.300 0.164 0.000 1.103 1100 R CA 0.818 56.972 56.100 0.090 0.000 0.983 1100 R CB -0.118 30.226 30.300 0.074 0.000 0.874 1100 R HN 0.170 nan 8.270 nan 0.000 0.451 1101 L N -0.018 121.273 121.223 0.113 0.000 2.446 1101 L HA 0.003 4.343 4.340 -0.000 0.000 0.219 1101 L C 2.163 179.072 176.870 0.064 0.000 1.116 1101 L CA 0.253 55.180 54.840 0.145 0.000 0.844 1101 L CB -0.125 41.953 42.059 0.031 0.000 0.970 1101 L HN 0.057 nan 8.230 nan 0.000 0.457 1102 E N 1.384 121.568 120.200 -0.026 0.000 2.086 1102 E HA -0.213 4.137 4.350 -0.000 0.000 0.200 1102 E C -0.634 175.847 176.600 -0.198 0.000 1.012 1102 E CA 1.964 58.287 56.400 -0.129 0.000 0.812 1102 E CB -1.025 28.622 29.700 -0.089 0.000 0.743 1102 E HN 0.252 nan 8.360 nan 0.000 0.453 1103 P HA -0.112 nan 4.420 nan 0.000 0.216 1103 P C 0.827 177.810 177.300 -0.529 0.000 1.150 1103 P CA 1.326 64.166 63.100 -0.433 0.000 0.837 1103 P CB -0.128 31.197 31.700 -0.625 0.000 0.786 1104 F N -0.307 119.548 119.950 -0.158 0.000 2.367 1104 F HA 0.063 4.590 4.527 -0.000 0.000 0.298 1104 F C 2.348 177.957 175.800 -0.318 0.000 1.094 1104 F CA 0.841 58.760 58.000 -0.135 0.000 1.409 1104 F CB -0.672 38.302 39.000 -0.044 0.000 1.064 1104 F HN -0.173 nan 8.300 nan 0.000 0.528 1105 K N 1.139 121.233 120.400 -0.510 0.000 2.103 1105 K HA -0.136 4.184 4.320 -0.000 0.000 0.204 1105 K C 1.883 178.231 176.600 -0.420 0.000 1.052 1105 K CA 1.205 56.855 56.287 -1.062 0.000 0.945 1105 K CB 0.004 31.791 32.500 -1.188 0.000 0.722 1105 K HN 0.159 nan 8.250 nan 0.000 0.443 1106 K N 0.557 120.791 120.400 -0.277 0.000 2.057 1106 K HA -0.085 4.235 4.320 -0.000 0.000 0.206 1106 K C 1.915 178.466 176.600 -0.082 0.000 1.050 1106 K CA 1.288 57.483 56.287 -0.153 0.000 0.935 1106 K CB 0.051 32.462 32.500 -0.148 0.000 0.715 1106 K HN 0.079 nan 8.250 nan 0.000 0.439 1107 K N 0.419 120.768 120.400 -0.084 0.000 2.504 1107 K HA -0.065 4.255 4.320 -0.000 0.000 0.195 1107 K C 0.455 177.090 176.600 0.059 0.000 1.036 1107 K CA 0.570 56.844 56.287 -0.021 0.000 0.984 1107 K CB 0.036 32.514 32.500 -0.037 0.000 0.788 1107 K HN 0.015 nan 8.250 nan 0.000 0.488 1108 N N -0.401 118.364 118.700 0.108 0.000 2.666 1108 N HA 0.136 4.876 4.740 -0.000 0.000 0.253 1108 N C -2.599 173.122 175.510 0.352 0.000 1.621 1108 N CA -1.342 51.845 53.050 0.228 0.000 0.785 1108 N CB 0.935 39.610 38.487 0.314 0.000 1.332 1108 N HN -0.253 nan 8.380 nan 0.000 0.514 1109 P HA -0.085 nan 4.420 nan 0.000 0.217 1109 P C 0.198 177.704 177.300 0.344 0.000 1.148 1109 P CA 1.234 64.472 63.100 0.231 0.000 0.828 1109 P CB 0.279 32.047 31.700 0.113 0.000 0.783 1110 D N -1.331 119.223 120.400 0.257 0.000 2.340 1110 D HA 0.084 4.724 4.640 -0.000 0.000 0.220 1110 D C 1.327 177.718 176.300 0.152 0.000 1.039 1110 D CA 0.351 54.464 54.000 0.188 0.000 0.866 1110 D CB -0.108 40.760 40.800 0.114 0.000 0.913 1110 D HN 0.124 nan 8.370 nan 0.000 0.523 1111 G N 0.683 109.625 108.800 0.236 0.000 2.616 1111 G HA2 0.311 4.271 3.960 -0.000 0.000 0.268 1111 G HA3 0.311 4.271 3.960 -0.000 0.000 0.268 1111 G C 0.399 174.999 174.900 -0.501 0.000 1.213 1111 G CA -0.280 44.797 45.100 -0.038 0.000 0.926 1111 G HN 0.163 nan 8.290 nan 0.000 0.523 1112 S N -0.872 114.441 115.700 -0.646 0.000 2.707 1112 S HA 0.195 4.664 4.470 -0.000 0.000 0.276 1112 S C 1.071 175.006 174.600 -1.108 0.000 1.179 1112 S CA -0.528 57.260 58.200 -0.686 0.000 0.992 1112 S CB 1.158 64.178 63.200 -0.299 0.000 1.030 1112 S HN 0.810 nan 8.310 nan 0.000 0.554 1113 W N 1.292 122.122 121.300 -0.783 0.000 2.358 1113 W HA -0.154 4.506 4.660 -0.000 0.000 0.303 1113 W C 1.146 177.529 176.519 -0.227 0.000 1.208 1113 W CA 2.121 59.222 57.345 -0.406 0.000 1.274 1113 W CB -0.565 28.824 29.460 -0.118 0.000 1.138 1113 W HN 0.819 nan 8.180 nan 0.000 0.515 1114 E N 0.925 121.055 120.200 -0.117 0.000 2.118 1114 E HA -0.213 4.137 4.350 -0.000 0.000 0.195 1114 E C 1.674 178.149 176.600 -0.209 0.000 0.992 1114 E CA 2.025 58.338 56.400 -0.145 0.000 0.804 1114 E CB -0.699 28.980 29.700 -0.035 0.000 0.741 1114 E HN 0.226 nan 8.360 nan 0.000 0.458 1115 D N -0.574 119.664 120.400 -0.269 0.000 2.097 1115 D HA -0.152 4.488 4.640 -0.000 0.000 0.195 1115 D C 1.671 177.929 176.300 -0.070 0.000 0.989 1115 D CA 0.819 54.708 54.000 -0.184 0.000 0.827 1115 D CB -0.264 40.406 40.800 -0.216 0.000 0.966 1115 D HN 0.292 nan 8.370 nan 0.000 0.456 1116 W N 1.250 122.481 121.300 -0.116 0.000 2.381 1116 W HA -0.061 4.599 4.660 -0.000 0.000 0.301 1116 W C 2.388 178.702 176.519 -0.342 0.000 1.205 1116 W CA 0.059 57.311 57.345 -0.154 0.000 1.285 1116 W CB -1.365 28.026 29.460 -0.113 0.000 1.133 1116 W HN -0.138 nan 8.180 nan 0.000 0.521 1117 V N 0.851 120.611 119.914 -0.257 0.000 2.287 1117 V HA -0.345 3.775 4.120 -0.000 0.000 0.248 1117 V C 2.308 178.272 176.094 -0.217 0.000 1.053 1117 V CA 2.362 64.447 62.300 -0.358 0.000 1.027 1117 V CB -0.997 30.535 31.823 -0.485 0.000 0.646 1117 V HN 0.055 nan 8.190 nan 0.000 0.447 1118 M N 0.790 120.303 119.600 -0.146 0.000 2.159 1118 M HA -0.057 4.423 4.480 -0.000 0.000 0.263 1118 M C 2.001 178.264 176.300 -0.061 0.000 1.063 1118 M CA 2.069 57.338 55.300 -0.051 0.000 1.110 1118 M CB -0.814 31.767 32.600 -0.032 0.000 1.374 1118 M HN 0.263 nan 8.290 nan 0.000 0.411 1119 A N -0.368 122.371 122.820 -0.136 0.000 1.898 1119 A HA 0.084 4.404 4.320 -0.000 0.000 0.216 1119 A C 2.374 179.594 177.584 -0.606 0.000 1.181 1119 A CA 1.955 53.878 52.037 -0.190 0.000 0.620 1119 A CB -1.392 17.611 19.000 0.005 0.000 0.819 1119 A HN 0.621 nan 8.150 nan 0.000 0.442 1120 A N -1.227 121.001 122.820 -0.986 0.000 1.877 1120 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 1120 A C 2.150 179.470 177.584 -0.440 0.000 1.186 1120 A CA 1.740 53.069 52.037 -1.181 0.000 0.620 1120 A CB -0.928 17.597 19.000 -0.791 0.000 0.822 1120 A HN 0.758 nan 8.150 nan 0.000 0.443 1121 Y N 0.735 120.838 120.300 -0.328 0.000 2.097 1121 Y HA -0.258 4.292 4.550 -0.000 0.000 0.282 1121 Y C 2.387 178.212 175.900 -0.125 0.000 1.152 1121 Y CA 2.383 60.376 58.100 -0.178 0.000 1.136 1121 Y CB -0.511 37.868 38.460 -0.134 0.000 0.975 1121 Y HN 0.429 nan 8.280 nan 0.000 0.498 1122 Q N -0.824 118.796 119.800 -0.301 0.000 2.437 1122 Q HA -0.154 4.186 4.340 -0.000 0.000 0.210 1122 Q C 0.784 176.658 176.000 -0.211 0.000 0.972 1122 Q CA 1.340 56.962 55.803 -0.302 0.000 0.903 1122 Q CB -0.109 28.580 28.738 -0.082 0.000 0.967 1122 Q HN 0.527 nan 8.270 nan 0.000 0.486 1123 D N -0.095 120.203 120.400 -0.170 0.000 2.363 1123 D HA 0.066 4.706 4.640 -0.000 0.000 0.214 1123 D C -0.570 175.696 176.300 -0.057 0.000 1.093 1123 D CA -0.117 53.869 54.000 -0.024 0.000 0.837 1123 D CB 0.232 41.160 40.800 0.213 0.000 0.948 1123 D HN -0.016 nan 8.370 nan 0.000 0.507 1124 R N -0.541 119.848 120.500 -0.184 0.000 3.267 1124 R HA -0.119 4.221 4.340 -0.000 0.000 0.254 1124 R C -1.123 175.139 176.300 -0.063 0.000 0.993 1124 R CA 0.074 56.078 56.100 -0.159 0.000 0.670 1124 R CB -2.087 28.142 30.300 -0.118 0.000 1.125 1124 R HN 0.035 nan 8.270 nan 0.000 0.434 1125 V N 0.971 120.849 119.914 -0.060 0.000 2.384 1125 V HA 0.209 4.329 4.120 -0.000 0.000 0.287 1125 V C 0.734 176.823 176.094 -0.008 0.000 1.020 1125 V CA -0.395 61.905 62.300 0.000 0.000 0.850 1125 V CB 1.863 33.711 31.823 0.040 0.000 0.987 1125 V HN 0.396 nan 8.190 nan 0.000 0.436 1126 S N 4.950 120.658 115.700 0.013 0.000 2.537 1126 S HA 0.246 4.716 4.470 -0.000 0.000 0.286 1126 S C 0.423 175.034 174.600 0.019 0.000 1.299 1126 S CA -0.175 58.038 58.200 0.022 0.000 1.067 1126 S CB 0.109 63.325 63.200 0.026 0.000 0.864 1126 S HN 0.602 nan 8.310 nan 0.000 0.494 1127 L N 4.198 125.431 121.223 0.017 0.000 2.928 1127 L HA 0.333 4.673 4.340 -0.000 0.000 0.246 1127 L C 0.477 177.362 176.870 0.025 0.000 1.239 1127 L CA -0.214 54.627 54.840 0.001 0.000 1.035 1127 L CB 0.345 42.384 42.059 -0.034 0.000 1.360 1127 L HN 0.539 nan 8.230 nan 0.000 0.529 1128 S N -0.560 115.175 115.700 0.058 0.000 2.538 1128 S HA 0.734 5.204 4.470 -0.000 0.000 0.288 1128 S C -0.609 174.040 174.600 0.082 0.000 1.108 1128 S CA -0.275 58.004 58.200 0.131 0.000 0.971 1128 S CB 2.031 65.356 63.200 0.209 0.000 1.041 1128 S HN 0.123 nan 8.310 nan 0.000 0.483 1129 T N 1.757 116.343 114.554 0.054 0.000 2.786 1129 T HA 0.637 4.987 4.350 -0.000 0.000 0.316 1129 T C -0.760 173.953 174.700 0.022 0.000 1.503 1129 T CA -0.275 61.848 62.100 0.039 0.000 1.019 1129 T CB 1.365 70.256 68.868 0.039 0.000 1.415 1129 T HN 0.861 nan 8.240 nan 0.000 0.496 1130 T N -0.057 114.521 114.554 0.041 0.000 2.936 1130 T HA 0.851 5.201 4.350 -0.000 0.000 0.282 1130 T C 0.310 175.066 174.700 0.093 0.000 1.003 1130 T CA -0.469 61.668 62.100 0.061 0.000 1.005 1130 T CB 1.480 70.387 68.868 0.065 0.000 1.097 1130 T HN 0.999 nan 8.240 nan 0.000 0.532 1131 G N -0.090 108.797 108.800 0.145 0.000 2.667 1131 G HA2 0.638 4.598 3.960 -0.000 0.000 0.298 1131 G HA3 0.638 4.598 3.960 -0.000 0.000 0.298 1131 G C -2.148 172.935 174.900 0.304 0.000 1.377 1131 G CA -0.744 44.465 45.100 0.182 0.000 0.964 1131 G HN 0.688 nan 8.290 nan 0.000 0.493 1132 F N 0.895 120.908 119.950 0.104 0.000 2.613 1132 F HA 0.786 5.313 4.527 -0.000 0.000 0.310 1132 F C -1.786 174.115 175.800 0.168 0.000 1.085 1132 F CA -1.210 56.857 58.000 0.111 0.000 0.945 1132 F CB 2.466 41.504 39.000 0.064 0.000 1.298 1132 F HN 0.572 nan 8.300 nan 0.000 0.455 1133 Y N 3.901 123.815 120.300 -0.644 0.000 2.513 1133 Y HA 0.615 5.165 4.550 -0.000 0.000 0.340 1133 Y C -1.596 173.946 175.900 -0.597 0.000 1.055 1133 Y CA -1.041 56.804 58.100 -0.425 0.000 1.020 1133 Y CB 1.531 39.816 38.460 -0.291 0.000 1.301 1133 Y HN 0.714 nan 8.280 nan 0.000 0.453 1134 R N 3.631 123.438 120.500 -1.154 0.000 2.502 1134 R HA 0.437 4.777 4.340 -0.000 0.000 0.298 1134 R C -1.398 174.253 176.300 -1.082 0.000 1.018 1134 R CA -0.489 55.113 56.100 -0.829 0.000 0.899 1134 R CB 1.409 31.503 30.300 -0.344 0.000 1.181 1134 R HN 0.795 nan 8.270 nan 0.000 0.444 1135 T N 7.258 121.343 114.554 -0.781 0.000 2.829 1135 T HA 0.129 4.479 4.350 -0.000 0.000 0.293 1135 T C -2.037 172.434 174.700 -0.381 0.000 0.970 1135 T CA -0.536 61.219 62.100 -0.574 0.000 1.168 1135 T CB 0.616 69.271 68.868 -0.355 0.000 0.911 1135 T HN 0.470 nan 8.240 nan 0.000 0.535 1136 P HA 0.120 nan 4.420 nan 0.000 0.274 1136 P C -0.143 177.135 177.300 -0.036 0.000 1.237 1136 P CA -0.499 62.528 63.100 -0.122 0.000 0.793 1136 P CB 0.456 32.130 31.700 -0.042 0.000 0.977 1137 N N -0.295 118.396 118.700 -0.015 0.000 2.699 1137 N HA -0.165 4.575 4.740 -0.000 0.000 0.256 1137 N C -0.626 174.887 175.510 0.005 0.000 0.993 1137 N CA 0.892 53.948 53.050 0.010 0.000 0.759 1137 N CB -1.419 37.093 38.487 0.041 0.000 0.906 1137 N HN 0.466 nan 8.380 nan 0.000 0.541 1138 L N -0.530 120.678 121.223 -0.025 0.000 2.334 1138 L HA 0.741 5.081 4.340 -0.000 0.000 0.276 1138 L C 0.929 177.782 176.870 -0.029 0.000 1.014 1138 L CA -0.638 54.176 54.840 -0.043 0.000 0.815 1138 L CB 2.097 44.112 42.059 -0.074 0.000 1.268 1138 L HN 0.291 nan 8.230 nan 0.000 0.428 1139 G N 1.777 110.561 108.800 -0.026 0.000 2.927 1139 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.233 1139 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.233 1139 G C -1.579 173.341 174.900 0.032 0.000 3.757 1139 G CA -0.712 44.392 45.100 0.006 0.000 0.546 1139 G HN 0.411 nan 8.290 nan 0.000 0.384 1140 Y N 1.797 122.043 120.300 -0.089 0.000 2.335 1140 Y HA 0.765 5.315 4.550 -0.000 0.000 0.323 1140 Y C 0.249 176.137 175.900 -0.020 0.000 1.224 1140 Y CA -0.321 57.727 58.100 -0.086 0.000 1.241 1140 Y CB 2.101 40.460 38.460 -0.169 0.000 1.235 1140 Y HN 0.492 nan 8.280 nan 0.000 0.492 1141 S N 4.906 120.061 115.700 -0.909 0.000 2.561 1141 S HA 0.346 4.816 4.470 -0.000 0.000 0.303 1141 S C -0.150 173.934 174.600 -0.860 0.000 1.110 1141 S CA -0.665 57.201 58.200 -0.557 0.000 1.034 1141 S CB 0.176 63.206 63.200 -0.283 0.000 1.010 1141 S HN 0.702 nan 8.310 nan 0.000 0.482 1142 F N 2.398 122.166 119.950 -0.304 0.000 2.604 1142 F HA 0.120 4.647 4.527 -0.000 0.000 0.298 1142 F C 2.263 178.011 175.800 -0.088 0.000 1.131 1142 F CA 0.513 58.458 58.000 -0.090 0.000 1.457 1142 F CB 0.221 39.250 39.000 0.048 0.000 1.095 1142 F HN 0.622 nan 8.300 nan 0.000 0.574 1143 E N -0.569 119.645 120.200 0.023 0.000 2.051 1143 E HA -0.112 4.238 4.350 -0.000 0.000 0.189 1143 E C 2.143 178.722 176.600 -0.034 0.000 0.979 1143 E CA 1.907 58.315 56.400 0.014 0.000 0.803 1143 E CB -0.664 29.039 29.700 0.004 0.000 0.761 1143 E HN 0.396 nan 8.360 nan 0.000 0.451 1144 T N -2.194 112.293 114.554 -0.111 0.000 3.069 1144 T HA 0.068 4.418 4.350 -0.000 0.000 0.252 1144 T C 0.639 175.265 174.700 -0.123 0.000 1.053 1144 T CA 0.162 62.201 62.100 -0.101 0.000 0.964 1144 T CB -0.341 68.466 68.868 -0.102 0.000 1.005 1144 T HN 0.229 nan 8.240 nan 0.000 0.532 1145 N N 1.260 119.829 118.700 -0.219 0.000 2.714 1145 N HA -0.214 4.525 4.740 -0.000 0.000 0.252 1145 N C -0.508 174.973 175.510 -0.047 0.000 1.014 1145 N CA 0.373 53.356 53.050 -0.111 0.000 0.735 1145 N CB -0.956 37.571 38.487 0.065 0.000 0.924 1145 N HN 0.817 nan 8.380 nan 0.000 0.540 1146 S N -0.782 114.771 115.700 -0.244 0.000 2.651 1146 S HA 0.888 5.358 4.470 -0.000 0.000 0.279 1146 S C 0.079 174.634 174.600 -0.076 0.000 1.148 1146 S CA -0.050 58.110 58.200 -0.066 0.000 0.837 1146 S CB 2.199 65.359 63.200 -0.066 0.000 1.138 1146 S HN 1.061 nan 8.310 nan 0.000 0.478 1147 G N 1.188 110.016 108.800 0.047 0.000 2.675 1147 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.686 1147 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.686 1147 G C -1.439 173.550 174.900 0.149 0.000 1.215 1147 G CA -1.075 44.061 45.100 0.060 0.000 0.777 1147 G HN 0.858 nan 8.290 nan 0.000 0.638 1148 N N 0.692 119.428 118.700 0.061 0.000 2.411 1148 N HA 0.452 5.192 4.740 -0.000 0.000 0.259 1148 N C 1.208 176.632 175.510 -0.143 0.000 1.103 1148 N CA 0.483 53.536 53.050 0.005 0.000 0.954 1148 N CB 1.585 40.077 38.487 0.009 0.000 1.085 1148 N HN 0.983 nan 8.380 nan 0.000 0.485 1149 A N 2.959 125.535 122.820 -0.407 0.000 1.935 1149 A HA 0.185 4.505 4.320 -0.000 0.000 0.214 1149 A C 0.185 177.025 177.584 -1.241 0.000 1.178 1149 A CA 0.806 52.212 52.037 -1.053 0.000 0.640 1149 A CB 0.102 17.765 19.000 -2.228 0.000 0.825 1149 A HN 0.555 nan 8.150 nan 0.000 0.447 1150 F N -3.570 116.141 119.950 -0.398 0.000 2.593 1150 F HA 0.479 5.006 4.527 -0.000 0.000 0.320 1150 F C 1.010 176.642 175.800 -0.280 0.000 1.060 1150 F CA -0.751 56.971 58.000 -0.463 0.000 0.940 1150 F CB 1.196 39.688 39.000 -0.847 0.000 1.268 1150 F HN 0.117 nan 8.300 nan 0.000 0.475 1151 H N 0.516 119.487 119.070 -0.164 0.000 2.436 1151 H HA 0.091 4.647 4.556 -0.000 0.000 0.294 1151 H C -0.944 174.416 175.328 0.052 0.000 1.048 1151 H CA 1.397 57.417 56.048 -0.046 0.000 1.353 1151 H CB 0.217 29.988 29.762 0.016 0.000 1.414 1151 H HN 0.521 nan 8.280 nan 0.000 0.536 1152 Y N -4.351 115.820 120.300 -0.215 0.000 2.852 1152 Y HA 0.400 4.950 4.550 -0.000 0.000 0.350 1152 Y C -2.015 173.589 175.900 -0.494 0.000 1.272 1152 Y CA -2.133 55.827 58.100 -0.233 0.000 1.086 1152 Y CB 0.352 38.736 38.460 -0.127 0.000 1.408 1152 Y HN -0.202 nan 8.280 nan 0.000 0.447 1153 F N 0.279 120.261 119.950 0.052 0.000 2.546 1153 F HA 0.723 5.250 4.527 -0.000 0.000 0.320 1153 F C -0.082 175.469 175.800 -0.415 0.000 1.076 1153 F CA -0.908 56.898 58.000 -0.322 0.000 0.928 1153 F CB 2.573 41.274 39.000 -0.499 0.000 1.189 1153 F HN 0.507 nan 8.300 nan 0.000 0.465 1154 T N 2.108 116.534 114.554 -0.213 0.000 2.829 1154 T HA 0.550 4.900 4.350 -0.000 0.000 0.282 1154 T C -1.124 173.419 174.700 -0.261 0.000 0.990 1154 T CA -0.405 61.633 62.100 -0.104 0.000 1.028 1154 T CB 0.473 69.375 68.868 0.057 0.000 0.951 1154 T HN 0.305 nan 8.240 nan 0.000 0.460 1155 Y N 0.280 120.670 120.300 0.149 0.000 2.598 1155 Y HA 0.793 5.343 4.550 -0.000 0.000 0.340 1155 Y C 0.707 176.655 175.900 0.080 0.000 1.038 1155 Y CA -0.918 57.237 58.100 0.091 0.000 1.100 1155 Y CB 2.364 40.806 38.460 -0.031 0.000 1.281 1155 Y HN 0.907 nan 8.280 nan 0.000 0.488 1156 G N -0.330 108.631 108.800 0.269 0.000 2.489 1156 G HA2 0.541 4.500 3.960 -0.000 0.000 0.291 1156 G HA3 0.541 4.500 3.960 -0.000 0.000 0.291 1156 G C -2.470 172.552 174.900 0.203 0.000 1.487 1156 G CA -0.694 44.523 45.100 0.194 0.000 0.795 1156 G HN 0.496 nan 8.290 nan 0.000 0.513 1157 V N -0.325 119.689 119.914 0.167 0.000 2.888 1157 V HA 0.890 5.010 4.120 -0.000 0.000 0.309 1157 V C -0.067 176.088 176.094 0.101 0.000 1.114 1157 V CA -0.211 62.196 62.300 0.178 0.000 0.940 1157 V CB 1.722 33.661 31.823 0.195 0.000 1.021 1157 V HN 1.803 nan 8.190 nan 0.000 0.426 1158 A N 2.472 125.351 122.820 0.099 0.000 2.422 1158 A HA 0.788 5.108 4.320 -0.000 0.000 0.302 1158 A C -1.011 176.590 177.584 0.029 0.000 1.041 1158 A CA -0.460 51.614 52.037 0.062 0.000 0.708 1158 A CB 1.730 20.818 19.000 0.146 0.000 1.257 1158 A HN 1.091 nan 8.150 nan 0.000 0.414 1159 C N 1.916 121.213 119.300 -0.006 0.000 2.369 1159 C HA 0.864 5.324 4.460 -0.000 0.000 0.322 1159 C C -0.106 174.913 174.990 0.048 0.000 1.258 1159 C CA -0.045 58.971 59.018 -0.003 0.000 1.487 1159 C CB 0.195 27.904 27.740 -0.052 0.000 2.165 1159 C HN 0.856 nan 8.230 nan 0.000 0.483 1160 S N 3.615 119.367 115.700 0.087 0.000 2.548 1160 S HA 0.600 5.070 4.470 -0.000 0.000 0.286 1160 S C -1.319 173.323 174.600 0.070 0.000 1.098 1160 S CA -0.479 57.777 58.200 0.093 0.000 0.930 1160 S CB 1.746 65.043 63.200 0.163 0.000 1.070 1160 S HN 0.875 nan 8.310 nan 0.000 0.480 1161 E N 1.583 121.806 120.200 0.040 0.000 2.248 1161 E HA 0.681 5.031 4.350 -0.000 0.000 0.267 1161 E C -1.267 175.336 176.600 0.005 0.000 0.877 1161 E CA -0.781 55.622 56.400 0.005 0.000 0.759 1161 E CB 1.559 31.239 29.700 -0.032 0.000 1.182 1161 E HN 0.516 nan 8.360 nan 0.000 0.418 1162 V N 0.253 120.165 119.914 -0.004 0.000 3.160 1162 V HA 0.678 4.798 4.120 -0.000 0.000 0.310 1162 V C -0.991 175.085 176.094 -0.030 0.000 1.181 1162 V CA -0.841 61.476 62.300 0.028 0.000 1.047 1162 V CB 1.915 33.793 31.823 0.093 0.000 1.068 1162 V HN 0.799 nan 8.190 nan 0.000 0.441 1163 E N 1.527 121.730 120.200 0.005 0.000 2.241 1163 E HA 0.631 4.981 4.350 -0.000 0.000 0.263 1163 E C -1.203 175.453 176.600 0.093 0.000 0.882 1163 E CA -0.860 55.520 56.400 -0.033 0.000 0.769 1163 E CB 2.064 31.685 29.700 -0.133 0.000 1.185 1163 E HN 0.932 nan 8.360 nan 0.000 0.415 1164 I N 0.653 121.288 120.570 0.107 0.000 2.525 1164 I HA 0.534 4.704 4.170 -0.000 0.000 0.301 1164 I C -0.384 175.832 176.117 0.164 0.000 0.992 1164 I CA -0.838 60.547 61.300 0.142 0.000 1.162 1164 I CB 1.778 39.828 38.000 0.082 0.000 1.332 1164 I HN 0.340 nan 8.210 nan 0.000 0.458 1165 D N 4.957 125.457 120.400 0.167 0.000 2.396 1165 D HA 0.236 4.876 4.640 -0.000 0.000 0.225 1165 D C 0.614 177.016 176.300 0.170 0.000 1.121 1165 D CA -0.406 53.700 54.000 0.177 0.000 0.853 1165 D CB 1.423 42.319 40.800 0.159 0.000 1.043 1165 D HN 0.765 nan 8.370 nan 0.000 0.500 1166 C N 3.373 122.800 119.300 0.212 0.000 2.430 1166 C HA -0.031 4.429 4.460 -0.000 0.000 0.288 1166 C C 2.449 177.572 174.990 0.222 0.000 1.448 1166 C CA 0.094 59.246 59.018 0.223 0.000 1.784 1166 C CB -0.908 27.010 27.740 0.295 0.000 1.776 1166 C HN 0.657 nan 8.230 nan 0.000 0.547 1167 L N 0.526 121.858 121.223 0.181 0.000 2.513 1167 L HA 0.031 4.371 4.340 -0.000 0.000 0.222 1167 L C 2.483 179.354 176.870 0.002 0.000 1.096 1167 L CA 1.522 56.394 54.840 0.054 0.000 0.857 1167 L CB -0.301 41.734 42.059 -0.041 0.000 1.026 1167 L HN 0.509 nan 8.230 nan 0.000 0.469 1168 T N -6.077 108.521 114.554 0.073 0.000 2.964 1168 T HA 0.317 4.667 4.350 -0.000 0.000 0.250 1168 T C 1.431 176.258 174.700 0.213 0.000 0.982 1168 T CA 0.624 62.779 62.100 0.092 0.000 0.959 1168 T CB 1.172 70.110 68.868 0.116 0.000 1.141 1168 T HN 0.251 nan 8.240 nan 0.000 0.494 1169 G N 1.528 110.424 108.800 0.160 0.000 2.234 1169 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.235 1169 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.235 1169 G C -0.134 174.834 174.900 0.113 0.000 0.997 1169 G CA 0.137 45.306 45.100 0.115 0.000 0.623 1169 G HN 0.845 nan 8.290 nan 0.000 0.514 1170 D N 1.297 121.772 120.400 0.124 0.000 2.361 1170 D HA 0.502 5.142 4.640 -0.000 0.000 0.239 1170 D C 0.641 177.047 176.300 0.177 0.000 1.200 1170 D CA 0.709 54.767 54.000 0.097 0.000 0.915 1170 D CB 0.263 41.071 40.800 0.013 0.000 1.170 1170 D HN 0.679 nan 8.370 nan 0.000 0.444 1171 H N -1.048 118.036 119.070 0.024 0.000 3.014 1171 H HA 0.446 5.002 4.556 -0.000 0.000 0.337 1171 H C -1.333 174.039 175.328 0.072 0.000 1.320 1171 H CA -0.975 55.100 56.048 0.044 0.000 1.128 1171 H CB 0.645 30.409 29.762 0.003 0.000 1.862 1171 H HN 0.318 nan 8.280 nan 0.000 0.536 1172 K N 1.316 121.715 120.400 -0.002 0.000 2.259 1172 K HA 0.299 4.619 4.320 -0.000 0.000 0.252 1172 K C -0.708 175.908 176.600 0.027 0.000 0.936 1172 K CA -1.095 55.167 56.287 -0.041 0.000 0.810 1172 K CB 1.647 34.178 32.500 0.052 0.000 1.143 1172 K HN 0.466 nan 8.250 nan 0.000 0.427 1173 N N 3.938 122.633 118.700 -0.009 0.000 2.558 1173 N HA 0.120 4.860 4.740 -0.000 0.000 0.233 1173 N C 0.908 176.424 175.510 0.009 0.000 1.038 1173 N CA 0.014 53.092 53.050 0.047 0.000 0.934 1173 N CB 0.772 39.279 38.487 0.033 0.000 1.175 1173 N HN 0.431 nan 8.380 nan 0.000 0.512 1174 L N 0.904 122.125 121.223 -0.005 0.000 1.988 1174 L HA 0.005 4.345 4.340 -0.000 0.000 0.207 1174 L C 1.167 178.031 176.870 -0.010 0.000 1.071 1174 L CA 1.197 56.017 54.840 -0.034 0.000 0.744 1174 L CB 0.018 42.025 42.059 -0.087 0.000 0.893 1174 L HN 0.385 nan 8.230 nan 0.000 0.433 1175 R N -1.188 119.307 120.500 -0.007 0.000 2.604 1175 R HA 0.412 4.752 4.340 -0.000 0.000 0.270 1175 R C -1.684 174.620 176.300 0.007 0.000 1.052 1175 R CA -0.362 55.742 56.100 0.007 0.000 0.902 1175 R CB 2.160 32.468 30.300 0.013 0.000 1.233 1175 R HN -0.180 nan 8.270 nan 0.000 0.455 1176 T N 2.416 116.973 114.554 0.005 0.000 2.921 1176 T HA 0.341 4.691 4.350 -0.000 0.000 0.297 1176 T C -1.777 172.947 174.700 0.041 0.000 1.013 1176 T CA -0.624 61.469 62.100 -0.011 0.000 0.990 1176 T CB 1.631 70.399 68.868 -0.167 0.000 1.023 1176 T HN 0.547 nan 8.240 nan 0.000 0.447 1177 D N 2.041 122.442 120.400 0.001 0.000 2.629 1177 D HA 0.596 5.236 4.640 -0.000 0.000 0.250 1177 D C -0.640 175.637 176.300 -0.038 0.000 1.126 1177 D CA -0.305 53.692 54.000 -0.005 0.000 0.852 1177 D CB 1.476 42.269 40.800 -0.013 0.000 1.335 1177 D HN 0.356 nan 8.370 nan 0.000 0.518 1178 I N 1.905 122.446 120.570 -0.048 0.000 2.465 1178 I HA 0.450 4.620 4.170 -0.000 0.000 0.291 1178 I C -0.838 175.267 176.117 -0.020 0.000 1.014 1178 I CA -1.113 60.161 61.300 -0.043 0.000 1.093 1178 I CB 2.104 40.053 38.000 -0.083 0.000 1.267 1178 I HN 0.023 nan 8.210 nan 0.000 0.431 1179 V N 6.492 126.412 119.914 0.009 0.000 2.407 1179 V HA 0.446 4.566 4.120 -0.000 0.000 0.291 1179 V C -0.347 175.778 176.094 0.052 0.000 1.018 1179 V CA -0.431 61.882 62.300 0.022 0.000 0.842 1179 V CB 1.622 33.458 31.823 0.022 0.000 0.996 1179 V HN 0.635 nan 8.190 nan 0.000 0.426 1180 M N 4.099 123.728 119.600 0.049 0.000 2.383 1180 M HA 0.534 5.014 4.480 -0.000 0.000 0.325 1180 M C -0.866 175.479 176.300 0.076 0.000 1.092 1180 M CA -0.429 54.914 55.300 0.071 0.000 0.961 1180 M CB 1.737 34.369 32.600 0.054 0.000 1.672 1180 M HN 0.663 nan 8.290 nan 0.000 0.438 1181 D N 3.382 123.847 120.400 0.109 0.000 2.443 1181 D HA 0.358 4.998 4.640 -0.000 0.000 0.221 1181 D C -0.110 176.255 176.300 0.108 0.000 1.097 1181 D CA -0.432 53.636 54.000 0.113 0.000 0.865 1181 D CB 0.710 41.609 40.800 0.166 0.000 1.034 1181 D HN 0.404 nan 8.370 nan 0.000 0.511 1182 V N 2.066 122.021 119.914 0.069 0.000 3.043 1182 V HA 0.624 4.743 4.120 -0.000 0.000 0.357 1182 V C 1.182 177.294 176.094 0.029 0.000 1.372 1182 V CA 0.180 62.511 62.300 0.052 0.000 1.214 1182 V CB -0.420 31.420 31.823 0.029 0.000 1.224 1182 V HN 0.684 nan 8.190 nan 0.000 0.507 1183 G N 1.513 110.331 108.800 0.029 0.000 2.574 1183 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.282 1183 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.282 1183 G C 0.085 174.988 174.900 0.006 0.000 1.257 1183 G CA 0.086 45.185 45.100 -0.001 0.000 0.956 1183 G HN 1.010 nan 8.290 nan 0.000 0.560 1184 S N 0.483 116.182 115.700 -0.003 0.000 2.485 1184 S HA 0.495 4.965 4.470 -0.000 0.000 0.312 1184 S C 0.630 175.237 174.600 0.010 0.000 1.102 1184 S CA 0.643 58.849 58.200 0.010 0.000 1.066 1184 S CB 0.990 64.196 63.200 0.010 0.000 1.102 1184 S HN 1.232 nan 8.310 nan 0.000 0.519 1185 S N 3.114 118.821 115.700 0.011 0.000 2.573 1185 S HA 0.064 4.534 4.470 -0.000 0.000 0.297 1185 S C 1.279 175.874 174.600 -0.008 0.000 1.280 1185 S CA -0.374 57.822 58.200 -0.005 0.000 1.061 1185 S CB 0.056 63.242 63.200 -0.024 0.000 0.812 1185 S HN 0.666 nan 8.310 nan 0.000 0.500 1186 L N 3.362 124.580 121.223 -0.009 0.000 2.240 1186 L HA 0.147 4.487 4.340 -0.000 0.000 0.211 1186 L C 1.076 177.927 176.870 -0.032 0.000 1.106 1186 L CA 0.476 55.315 54.840 -0.000 0.000 0.793 1186 L CB -0.163 41.908 42.059 0.020 0.000 0.927 1186 L HN 0.635 nan 8.230 nan 0.000 0.446 1187 N N -0.656 118.006 118.700 -0.063 0.000 2.747 1187 N HA 0.112 4.852 4.740 -0.000 0.000 0.262 1187 N C -2.277 173.125 175.510 -0.180 0.000 1.261 1187 N CA -1.106 51.879 53.050 -0.108 0.000 0.809 1187 N CB 1.569 39.999 38.487 -0.094 0.000 1.450 1187 N HN -0.245 nan 8.380 nan 0.000 0.560 1188 P HA -0.081 nan 4.420 nan 0.000 0.222 1188 P C 1.029 178.027 177.300 -0.503 0.000 1.147 1188 P CA 0.820 63.675 63.100 -0.408 0.000 0.790 1188 P CB 0.452 31.762 31.700 -0.650 0.000 0.780 1189 A N 0.260 122.763 122.820 -0.529 0.000 1.873 1189 A HA -0.105 4.214 4.320 -0.000 0.000 0.215 1189 A C 2.360 179.689 177.584 -0.425 0.000 1.186 1189 A CA 1.192 52.840 52.037 -0.648 0.000 0.616 1189 A CB -1.431 16.951 19.000 -1.030 0.000 0.823 1189 A HN 0.102 nan 8.150 nan 0.000 0.442 1190 I N -0.121 120.283 120.570 -0.277 0.000 2.252 1190 I HA -0.205 3.965 4.170 -0.000 0.000 0.245 1190 I C 1.694 177.743 176.117 -0.114 0.000 1.102 1190 I CA 1.359 62.576 61.300 -0.140 0.000 1.385 1190 I CB -0.411 37.535 38.000 -0.090 0.000 1.064 1190 I HN 0.241 nan 8.210 nan 0.000 0.414 1191 D N 0.910 121.230 120.400 -0.133 0.000 2.144 1191 D HA -0.097 4.543 4.640 -0.000 0.000 0.200 1191 D C 2.236 178.479 176.300 -0.094 0.000 0.978 1191 D CA 1.240 55.184 54.000 -0.094 0.000 0.833 1191 D CB -0.092 40.657 40.800 -0.084 0.000 0.961 1191 D HN 0.326 nan 8.370 nan 0.000 0.470 1192 I N 0.740 121.223 120.570 -0.145 0.000 2.394 1192 I HA -0.116 4.054 4.170 -0.000 0.000 0.251 1192 I C 2.414 178.468 176.117 -0.106 0.000 1.136 1192 I CA 0.998 62.218 61.300 -0.133 0.000 1.425 1192 I CB -0.251 37.646 38.000 -0.172 0.000 1.079 1192 I HN 0.009 nan 8.210 nan 0.000 0.425 1193 G N -0.100 108.642 108.800 -0.097 0.000 2.422 1193 G HA2 -0.205 3.754 3.960 -0.000 0.000 0.218 1193 G HA3 -0.205 3.754 3.960 -0.000 0.000 0.218 1193 G C 1.591 176.488 174.900 -0.005 0.000 1.140 1193 G CA 0.277 45.351 45.100 -0.044 0.000 0.775 1193 G HN 0.269 nan 8.290 nan 0.000 0.545 1194 Q N 0.107 119.903 119.800 -0.008 0.000 2.123 1194 Q HA 0.007 4.347 4.340 -0.000 0.000 0.199 1194 Q C 2.969 178.994 176.000 0.041 0.000 0.966 1194 Q CA 0.741 56.558 55.803 0.023 0.000 0.845 1194 Q CB -0.482 28.258 28.738 0.004 0.000 0.907 1194 Q HN 0.411 nan 8.270 nan 0.000 0.439 1195 V N 1.449 121.373 119.914 0.017 0.000 2.261 1195 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 1195 V C 2.113 178.269 176.094 0.104 0.000 1.047 1195 V CA 1.894 64.221 62.300 0.045 0.000 1.015 1195 V CB -0.459 31.360 31.823 -0.007 0.000 0.642 1195 V HN 0.379 nan 8.190 nan 0.000 0.446 1196 E N 0.212 120.431 120.200 0.033 0.000 2.077 1196 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 1196 E C 2.303 179.051 176.600 0.247 0.000 0.989 1196 E CA 1.222 57.683 56.400 0.101 0.000 0.800 1196 E CB -0.468 29.177 29.700 -0.092 0.000 0.746 1196 E HN 0.646 nan 8.360 nan 0.000 0.452 1197 G N 1.171 110.054 108.800 0.139 0.000 2.402 1197 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.216 1197 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.216 1197 G C 1.701 176.680 174.900 0.132 0.000 1.162 1197 G CA 0.764 45.934 45.100 0.118 0.000 0.777 1197 G HN 0.333 nan 8.290 nan 0.000 0.539 1198 A N 0.429 123.335 122.820 0.144 0.000 1.902 1198 A HA 0.069 4.389 4.320 -0.000 0.000 0.217 1198 A C 2.162 179.826 177.584 0.133 0.000 1.181 1198 A CA 1.531 53.640 52.037 0.120 0.000 0.623 1198 A CB -0.574 18.484 19.000 0.097 0.000 0.818 1198 A HN 0.406 nan 8.150 nan 0.000 0.443 1199 F N 0.740 120.747 119.950 0.094 0.000 2.126 1199 F HA -0.163 4.364 4.527 -0.000 0.000 0.299 1199 F C 2.116 177.977 175.800 0.102 0.000 1.096 1199 F CA 1.998 60.074 58.000 0.126 0.000 1.255 1199 F CB -0.152 38.981 39.000 0.223 0.000 0.997 1199 F HN 0.028 nan 8.300 nan 0.000 0.479 1200 V N 0.128 120.132 119.914 0.150 0.000 2.548 1200 V HA -0.258 3.862 4.120 -0.000 0.000 0.249 1200 V C 2.233 178.263 176.094 -0.107 0.000 1.055 1200 V CA 1.923 64.236 62.300 0.021 0.000 1.065 1200 V CB -0.675 31.247 31.823 0.165 0.000 0.681 1200 V HN 0.392 nan 8.190 nan 0.000 0.462 1201 Q N -0.059 119.685 119.800 -0.094 0.000 2.172 1201 Q HA -0.088 4.252 4.340 -0.000 0.000 0.200 1201 Q C 2.341 178.187 176.000 -0.257 0.000 0.964 1201 Q CA 1.437 57.152 55.803 -0.146 0.000 0.855 1201 Q CB -0.325 28.361 28.738 -0.087 0.000 0.918 1201 Q HN 0.724 nan 8.270 nan 0.000 0.444 1202 G N 1.131 109.769 108.800 -0.269 0.000 2.394 1202 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.215 1202 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.215 1202 G C 1.377 176.064 174.900 -0.355 0.000 1.165 1202 G CA 0.229 45.108 45.100 -0.368 0.000 0.784 1202 G HN 0.310 nan 8.290 nan 0.000 0.535 1203 L N 0.799 121.806 121.223 -0.360 0.000 2.079 1203 L HA 0.007 4.347 4.340 -0.000 0.000 0.210 1203 L C 2.748 179.507 176.870 -0.186 0.000 1.081 1203 L CA 1.933 56.609 54.840 -0.274 0.000 0.752 1203 L CB -0.481 41.359 42.059 -0.365 0.000 0.896 1203 L HN 0.248 nan 8.230 nan 0.000 0.433 1204 G N -0.020 108.640 108.800 -0.233 0.000 2.402 1204 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.216 1204 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.216 1204 G C 1.482 176.199 174.900 -0.304 0.000 1.162 1204 G CA 0.788 45.748 45.100 -0.234 0.000 0.777 1204 G HN 0.386 nan 8.290 nan 0.000 0.539 1205 L N -0.406 120.540 121.223 -0.461 0.000 2.083 1205 L HA 0.154 4.494 4.340 -0.000 0.000 0.209 1205 L C 2.226 178.740 176.870 -0.592 0.000 1.083 1205 L CA 1.625 56.081 54.840 -0.640 0.000 0.752 1205 L CB -0.424 41.028 42.059 -1.013 0.000 0.899 1205 L HN 0.267 nan 8.230 nan 0.000 0.433 1206 F N -1.566 118.214 119.950 -0.283 0.000 2.754 1206 F HA 0.069 4.596 4.527 -0.000 0.000 0.297 1206 F C 1.809 177.574 175.800 -0.058 0.000 1.122 1206 F CA 0.591 58.439 58.000 -0.253 0.000 1.400 1206 F CB -0.076 38.759 39.000 -0.275 0.000 1.117 1206 F HN 0.275 nan 8.300 nan 0.000 0.587 1207 T N -4.598 109.987 114.554 0.052 0.000 3.028 1207 T HA 0.279 4.629 4.350 -0.000 0.000 0.262 1207 T C 1.074 175.762 174.700 -0.020 0.000 0.916 1207 T CA 0.044 62.160 62.100 0.026 0.000 0.873 1207 T CB -0.139 68.748 68.868 0.031 0.000 1.232 1207 T HN 0.185 nan 8.240 nan 0.000 0.529 1208 L N -0.193 120.977 121.223 -0.087 0.000 2.694 1208 L HA 0.486 4.826 4.340 -0.000 0.000 0.228 1208 L C 0.233 176.966 176.870 -0.227 0.000 1.048 1208 L CA -0.167 54.593 54.840 -0.132 0.000 0.887 1208 L CB 0.443 42.412 42.059 -0.150 0.000 1.265 1208 L HN 0.134 nan 8.230 nan 0.000 0.492 1209 E N 1.907 121.928 120.200 -0.300 0.000 2.257 1209 E HA 0.216 4.566 4.350 -0.000 0.000 0.278 1209 E C -0.448 176.038 176.600 -0.189 0.000 1.049 1209 E CA 0.202 56.341 56.400 -0.435 0.000 0.876 1209 E CB 1.003 30.436 29.700 -0.444 0.000 1.035 1209 E HN 0.087 nan 8.360 nan 0.000 0.419 1210 E N 3.606 123.733 120.200 -0.121 0.000 2.304 1210 E HA 0.281 4.631 4.350 -0.000 0.000 0.277 1210 E C -1.596 174.967 176.600 -0.061 0.000 0.898 1210 E CA -0.530 55.830 56.400 -0.066 0.000 0.764 1210 E CB 1.119 30.723 29.700 -0.160 0.000 1.216 1210 E HN 0.354 nan 8.360 nan 0.000 0.419 1211 L N 4.341 125.523 121.223 -0.067 0.000 2.307 1211 L HA 0.485 4.825 4.340 -0.000 0.000 0.284 1211 L C -0.450 176.275 176.870 -0.242 0.000 1.023 1211 L CA -0.883 53.872 54.840 -0.141 0.000 0.810 1211 L CB 1.186 43.209 42.059 -0.061 0.000 1.231 1211 L HN 0.479 nan 8.230 nan 0.000 0.423 1212 H N 2.860 121.914 119.070 -0.027 0.000 2.466 1212 H HA 0.435 4.991 4.556 -0.000 0.000 0.338 1212 H C -1.233 174.043 175.328 -0.087 0.000 1.091 1212 H CA -0.443 55.659 56.048 0.090 0.000 1.207 1212 H CB 1.598 31.466 29.762 0.175 0.000 1.466 1212 H HN 0.350 nan 8.280 nan 0.000 0.493 1213 Y N 0.177 120.608 120.300 0.217 0.000 2.446 1213 Y HA 0.180 4.730 4.550 -0.000 0.000 0.345 1213 Y C 0.868 176.743 175.900 -0.042 0.000 0.984 1213 Y CA -0.859 57.236 58.100 -0.008 0.000 1.058 1213 Y CB 1.589 40.053 38.460 0.006 0.000 1.220 1213 Y HN 0.571 nan 8.280 nan 0.000 0.455 1214 S N 1.629 117.240 115.700 -0.149 0.000 2.596 1214 S HA 0.191 4.661 4.470 -0.000 0.000 0.260 1214 S C -2.054 172.589 174.600 0.072 0.000 1.336 1214 S CA -0.888 57.312 58.200 -0.001 0.000 0.993 1214 S CB 1.053 64.201 63.200 -0.086 0.000 0.923 1214 S HN 0.484 nan 8.310 nan 0.000 0.567 1215 P HA 0.008 nan 4.420 nan 0.000 0.222 1215 P C 0.527 177.843 177.300 0.026 0.000 1.147 1215 P CA 0.941 64.070 63.100 0.048 0.000 0.790 1215 P CB -0.028 31.697 31.700 0.041 0.000 0.780 1216 E N -1.410 118.804 120.200 0.023 0.000 2.502 1216 E HA 0.233 4.583 4.350 -0.000 0.000 0.194 1216 E C 1.306 177.914 176.600 0.013 0.000 1.062 1216 E CA 0.605 57.011 56.400 0.011 0.000 0.867 1216 E CB -0.832 28.872 29.700 0.005 0.000 0.888 1216 E HN 0.136 nan 8.360 nan 0.000 0.510 1217 G N 0.501 109.317 108.800 0.027 0.000 2.130 1217 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.216 1217 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.216 1217 G C 0.189 175.151 174.900 0.104 0.000 0.999 1217 G CA 0.310 45.439 45.100 0.048 0.000 0.686 1217 G HN 0.262 nan 8.290 nan 0.000 0.515 1218 S N -0.162 115.567 115.700 0.048 0.000 2.422 1218 S HA 0.622 5.092 4.470 -0.000 0.000 0.308 1218 S C 0.381 174.916 174.600 -0.108 0.000 1.097 1218 S CA -0.658 57.541 58.200 -0.001 0.000 1.099 1218 S CB 0.851 64.019 63.200 -0.054 0.000 0.976 1218 S HN 1.298 nan 8.310 nan 0.000 0.471 1219 L N 6.830 128.020 121.223 -0.054 0.000 2.559 1219 L HA 0.216 4.556 4.340 -0.000 0.000 0.274 1219 L C 1.094 177.836 176.870 -0.213 0.000 1.205 1219 L CA 0.879 55.526 54.840 -0.320 0.000 0.907 1219 L CB 0.196 42.099 42.059 -0.259 0.000 1.153 1219 L HN 0.803 nan 8.230 nan 0.000 0.490 1220 H N 1.927 120.923 119.070 -0.122 0.000 2.399 1220 H HA 0.072 4.628 4.556 -0.000 0.000 0.300 1220 H C 0.329 175.652 175.328 -0.008 0.000 1.048 1220 H CA 1.173 57.211 56.048 -0.016 0.000 1.370 1220 H CB -0.126 29.659 29.762 0.039 0.000 1.428 1220 H HN 0.700 nan 8.280 nan 0.000 0.534 1221 T N 0.565 115.177 114.554 0.096 0.000 2.782 1221 T HA 0.378 4.728 4.350 -0.000 0.000 0.298 1221 T C 0.680 175.393 174.700 0.021 0.000 0.944 1221 T CA -0.592 61.556 62.100 0.082 0.000 1.001 1221 T CB 0.390 69.326 68.868 0.114 0.000 0.932 1221 T HN 0.217 nan 8.240 nan 0.000 0.524 1222 R N 2.134 122.669 120.500 0.058 0.000 2.662 1222 R HA 0.483 4.823 4.340 -0.000 0.000 0.396 1222 R C 0.605 176.965 176.300 0.100 0.000 1.096 1222 R CA -0.657 55.480 56.100 0.062 0.000 1.081 1222 R CB 1.133 31.481 30.300 0.080 0.000 1.382 1222 R HN 0.811 nan 8.270 nan 0.000 0.580 1223 G N 0.462 109.347 108.800 0.141 0.000 2.576 1223 G HA2 0.177 4.137 3.960 -0.000 0.000 0.290 1223 G HA3 0.177 4.137 3.960 -0.000 0.000 0.290 1223 G C -2.607 172.459 174.900 0.278 0.000 1.442 1223 G CA -0.845 44.370 45.100 0.192 0.000 0.792 1223 G HN -0.281 nan 8.290 nan 0.000 0.491 1224 P HA -0.114 nan 4.420 nan 0.000 0.222 1224 P C 1.850 179.203 177.300 0.090 0.000 1.147 1224 P CA 1.837 65.059 63.100 0.204 0.000 0.790 1224 P CB 0.181 32.038 31.700 0.263 0.000 0.780 1225 S N -0.196 115.550 115.700 0.076 0.000 2.402 1225 S HA -0.105 4.364 4.470 -0.000 0.000 0.229 1225 S C 1.883 176.504 174.600 0.035 0.000 1.021 1225 S CA 1.939 60.156 58.200 0.029 0.000 0.974 1225 S CB -1.778 61.415 63.200 -0.011 0.000 0.800 1225 S HN 0.354 nan 8.310 nan 0.000 0.484 1226 T N -3.611 110.987 114.554 0.073 0.000 2.990 1226 T HA 0.254 4.604 4.350 -0.000 0.000 0.249 1226 T C 0.069 174.855 174.700 0.143 0.000 1.039 1226 T CA -0.312 61.847 62.100 0.098 0.000 1.036 1226 T CB -0.396 68.540 68.868 0.112 0.000 0.994 1226 T HN 0.359 nan 8.240 nan 0.000 0.489 1227 Y N 3.314 123.618 120.300 0.007 0.000 2.369 1227 Y HA 0.512 5.062 4.550 -0.000 0.000 0.337 1227 Y C -0.836 175.002 175.900 -0.103 0.000 0.961 1227 Y CA -1.805 56.277 58.100 -0.030 0.000 1.186 1227 Y CB 0.766 39.238 38.460 0.021 0.000 1.139 1227 Y HN -0.144 nan 8.280 nan 0.000 0.494 1228 K N 8.917 129.041 120.400 -0.460 0.000 2.299 1228 K HA 0.296 4.616 4.320 -0.000 0.000 0.268 1228 K C -0.132 176.153 176.600 -0.525 0.000 1.075 1228 K CA -0.321 55.727 56.287 -0.397 0.000 0.936 1228 K CB 0.500 32.865 32.500 -0.225 0.000 1.228 1228 K HN 0.816 nan 8.250 nan 0.000 0.454 1229 I N -0.711 119.562 120.570 -0.495 0.000 2.970 1229 I HA 0.447 4.617 4.170 -0.000 0.000 0.310 1229 I C -2.198 173.795 176.117 -0.206 0.000 1.010 1229 I CA -2.756 58.313 61.300 -0.385 0.000 1.228 1229 I CB 0.422 38.202 38.000 -0.366 0.000 1.433 1229 I HN 0.142 nan 8.210 nan 0.000 0.573 1230 P HA 0.121 nan 4.420 nan 0.000 0.266 1230 P C -0.855 176.461 177.300 0.027 0.000 1.195 1230 P CA 0.149 63.233 63.100 -0.028 0.000 0.768 1230 P CB 0.664 32.390 31.700 0.043 0.000 0.838 1231 A N 2.241 124.988 122.820 -0.121 0.000 2.309 1231 A HA 0.490 4.810 4.320 -0.000 0.000 0.317 1231 A C 0.726 177.846 177.584 -0.773 0.000 1.134 1231 A CA -0.500 51.371 52.037 -0.277 0.000 0.866 1231 A CB -0.054 18.901 19.000 -0.075 0.000 1.329 1231 A HN 0.427 nan 8.150 nan 0.000 0.477 1232 F N 0.606 119.947 119.950 -1.014 0.000 2.115 1232 F HA -0.149 4.378 4.527 -0.000 0.000 0.300 1232 F C 2.506 178.118 175.800 -0.313 0.000 1.092 1232 F CA 2.599 60.090 58.000 -0.848 0.000 1.245 1232 F CB -0.324 38.530 39.000 -0.243 0.000 0.995 1232 F HN 0.637 nan 8.300 nan 0.000 0.481 1233 G N -1.961 106.862 108.800 0.038 0.000 2.848 1233 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.208 1233 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.208 1233 G C 1.467 176.370 174.900 0.005 0.000 1.152 1233 G CA 0.714 45.861 45.100 0.077 0.000 0.789 1233 G HN 0.332 nan 8.290 nan 0.000 0.531 1234 S N 0.012 115.668 115.700 -0.073 0.000 2.501 1234 S HA 0.169 4.639 4.470 -0.000 0.000 0.220 1234 S C 1.228 175.803 174.600 -0.041 0.000 0.997 1234 S CA -0.332 57.824 58.200 -0.075 0.000 0.919 1234 S CB -0.058 63.090 63.200 -0.086 0.000 0.778 1234 S HN 0.619 nan 8.310 nan 0.000 0.523 1235 I N 0.250 120.814 120.570 -0.011 0.000 2.823 1235 I HA 0.370 4.540 4.170 -0.000 0.000 0.290 1235 I C -2.973 173.090 176.117 -0.090 0.000 1.091 1235 I CA -2.542 58.739 61.300 -0.031 0.000 1.365 1235 I CB -0.065 37.973 38.000 0.064 0.000 1.427 1235 I HN -0.211 nan 8.210 nan 0.000 0.583 1236 P HA 0.062 nan 4.420 nan 0.000 0.263 1236 P C 0.361 177.625 177.300 -0.061 0.000 1.195 1236 P CA 0.126 63.102 63.100 -0.206 0.000 0.762 1236 P CB 0.699 32.146 31.700 -0.421 0.000 0.799 1237 T N 1.399 115.972 114.554 0.032 0.000 2.684 1237 T HA -0.199 4.151 4.350 -0.000 0.000 0.267 1237 T C 0.638 175.419 174.700 0.134 0.000 1.036 1237 T CA 1.384 63.549 62.100 0.108 0.000 1.148 1237 T CB -0.268 68.674 68.868 0.124 0.000 0.863 1237 T HN 0.495 nan 8.240 nan 0.000 0.436 1238 E N 0.306 120.572 120.200 0.109 0.000 2.081 1238 E HA 0.366 4.716 4.350 -0.000 0.000 0.276 1238 E C -1.559 175.152 176.600 0.185 0.000 0.950 1238 E CA -0.419 56.063 56.400 0.137 0.000 0.776 1238 E CB 0.298 30.058 29.700 0.100 0.000 1.094 1238 E HN 0.356 nan 8.360 nan 0.000 0.402 1239 F N 5.437 125.411 119.950 0.040 0.000 2.434 1239 F HA 0.459 4.986 4.527 -0.000 0.000 0.355 1239 F C -0.419 175.375 175.800 -0.010 0.000 1.115 1239 F CA -1.058 56.945 58.000 0.005 0.000 1.010 1239 F CB 0.790 39.811 39.000 0.035 0.000 1.234 1239 F HN 0.342 nan 8.300 nan 0.000 0.439 1240 R N 4.946 125.572 120.500 0.210 0.000 2.437 1240 R HA 0.671 5.011 4.340 -0.000 0.000 0.310 1240 R C -1.496 174.761 176.300 -0.072 0.000 0.955 1240 R CA -0.943 55.171 56.100 0.023 0.000 0.851 1240 R CB 2.724 33.045 30.300 0.036 0.000 1.161 1240 R HN 0.310 nan 8.270 nan 0.000 0.446 1241 V N 1.763 121.600 119.914 -0.128 0.000 2.638 1241 V HA 0.418 4.537 4.120 -0.000 0.000 0.306 1241 V C -0.571 175.492 176.094 -0.051 0.000 1.052 1241 V CA -0.697 61.523 62.300 -0.133 0.000 0.885 1241 V CB 2.196 33.877 31.823 -0.237 0.000 0.999 1241 V HN 0.782 nan 8.190 nan 0.000 0.424 1242 S N 4.937 120.623 115.700 -0.024 0.000 2.538 1242 S HA 0.714 5.184 4.470 -0.000 0.000 0.288 1242 S C -0.760 173.856 174.600 0.026 0.000 1.108 1242 S CA -0.624 57.584 58.200 0.014 0.000 0.971 1242 S CB 1.667 64.871 63.200 0.007 0.000 1.041 1242 S HN 0.537 nan 8.310 nan 0.000 0.483 1243 L N 2.885 124.143 121.223 0.057 0.000 2.275 1243 L HA 0.433 4.773 4.340 -0.000 0.000 0.288 1243 L C -0.296 176.607 176.870 0.054 0.000 1.046 1243 L CA -0.959 53.915 54.840 0.057 0.000 0.805 1243 L CB 0.855 42.960 42.059 0.077 0.000 1.193 1243 L HN 0.493 nan 8.230 nan 0.000 0.426 1244 L N 5.601 126.852 121.223 0.047 0.000 2.559 1244 L HA 0.032 4.372 4.340 -0.000 0.000 0.274 1244 L C 0.713 177.605 176.870 0.037 0.000 1.205 1244 L CA 0.584 55.447 54.840 0.039 0.000 0.907 1244 L CB 0.112 42.197 42.059 0.043 0.000 1.153 1244 L HN 0.612 nan 8.230 nan 0.000 0.490 1245 R N 3.293 123.808 120.500 0.026 0.000 2.528 1245 R HA 0.299 4.639 4.340 -0.000 0.000 0.271 1245 R C -0.740 175.570 176.300 0.016 0.000 1.056 1245 R CA -0.604 55.508 56.100 0.021 0.000 1.117 1245 R CB 0.448 30.753 30.300 0.008 0.000 1.085 1245 R HN 0.707 nan 8.270 nan 0.000 0.530 1246 D N 0.654 121.062 120.400 0.014 0.000 2.803 1246 D HA -0.142 4.498 4.640 -0.000 0.000 0.233 1246 D C -0.271 176.036 176.300 0.012 0.000 1.182 1246 D CA 1.169 55.175 54.000 0.010 0.000 0.726 1246 D CB -1.111 39.692 40.800 0.006 0.000 0.987 1246 D HN 0.799 nan 8.370 nan 0.000 0.412 1247 C N -1.260 118.048 119.300 0.013 0.000 3.236 1247 C HA 0.327 4.787 4.460 -0.000 0.000 0.208 1247 C C -2.249 172.743 174.990 0.003 0.000 1.879 1247 C CA -1.618 57.407 59.018 0.013 0.000 1.262 1247 C CB 0.324 28.079 27.740 0.025 0.000 2.186 1247 C HN 0.165 nan 8.230 nan 0.000 0.552 1248 P HA 0.067 nan 4.420 nan 0.000 0.264 1248 P C -0.543 176.730 177.300 -0.045 0.000 1.183 1248 P CA 0.886 63.974 63.100 -0.020 0.000 0.763 1248 P CB 0.716 32.408 31.700 -0.012 0.000 0.807 1249 N N 2.453 121.100 118.700 -0.088 0.000 2.546 1249 N HA 0.075 4.815 4.740 -0.000 0.000 0.238 1249 N C 1.132 176.543 175.510 -0.166 0.000 0.984 1249 N CA -0.679 52.272 53.050 -0.166 0.000 0.935 1249 N CB 0.658 38.960 38.487 -0.309 0.000 1.122 1249 N HN 0.245 nan 8.380 nan 0.000 0.510 1250 K N 2.020 122.349 120.400 -0.119 0.000 2.515 1250 K HA 0.003 4.323 4.320 -0.000 0.000 0.196 1250 K C 0.445 176.984 176.600 -0.103 0.000 1.038 1250 K CA 0.694 56.927 56.287 -0.090 0.000 0.967 1250 K CB 0.156 32.625 32.500 -0.052 0.000 0.780 1250 K HN 0.243 nan 8.250 nan 0.000 0.483 1251 K N 0.517 120.809 120.400 -0.180 0.000 2.426 1251 K HA 0.185 4.505 4.320 -0.000 0.000 0.193 1251 K C 0.399 177.006 176.600 0.012 0.000 1.028 1251 K CA 0.364 56.571 56.287 -0.133 0.000 1.047 1251 K CB 0.755 33.027 32.500 -0.380 0.000 0.821 1251 K HN 0.317 nan 8.250 nan 0.000 0.513 1252 A N 0.824 123.561 122.820 -0.139 0.000 2.527 1252 A HA 0.470 4.790 4.320 -0.000 0.000 0.293 1252 A C -0.737 176.730 177.584 -0.196 0.000 1.117 1252 A CA -0.915 51.050 52.037 -0.120 0.000 0.723 1252 A CB 0.926 19.861 19.000 -0.109 0.000 1.313 1252 A HN 0.137 nan 8.150 nan 0.000 0.411 1253 I N 1.188 121.592 120.570 -0.276 0.000 3.015 1253 I HA -0.041 4.129 4.170 -0.000 0.000 0.309 1253 I C 0.167 176.143 176.117 -0.236 0.000 1.229 1253 I CA 1.475 62.528 61.300 -0.412 0.000 1.430 1253 I CB -1.124 36.620 38.000 -0.427 0.000 1.347 1253 I HN 0.644 nan 8.210 nan 0.000 0.544 1254 Y N 5.586 125.782 120.300 -0.172 0.000 3.396 1254 Y HA -0.292 4.258 4.550 -0.000 0.000 0.214 1254 Y C 1.436 177.279 175.900 -0.094 0.000 1.203 1254 Y CA 0.421 58.453 58.100 -0.113 0.000 1.401 1254 Y CB -1.802 36.611 38.460 -0.078 0.000 1.409 1254 Y HN 1.081 nan 8.280 nan 0.000 0.594 1255 A N -1.261 121.561 122.820 0.003 0.000 2.899 1255 A HA -0.272 4.048 4.320 -0.000 0.000 0.257 1255 A C 0.992 178.542 177.584 -0.058 0.000 1.335 1255 A CA 1.116 53.129 52.037 -0.041 0.000 0.924 1255 A CB -1.972 17.022 19.000 -0.009 0.000 1.105 1255 A HN 1.245 nan 8.150 nan 0.000 0.765 1256 S N -1.061 114.609 115.700 -0.051 0.000 2.686 1256 S HA 0.785 5.255 4.470 -0.000 0.000 0.270 1256 S C -0.068 174.473 174.600 -0.098 0.000 1.194 1256 S CA -0.096 58.077 58.200 -0.045 0.000 0.990 1256 S CB 1.407 64.602 63.200 -0.009 0.000 1.029 1256 S HN 0.566 nan 8.310 nan 0.000 0.560 1257 K N -0.445 119.938 120.400 -0.029 0.000 2.502 1257 K HA 0.628 4.948 4.320 -0.000 0.000 0.257 1257 K C -0.790 175.890 176.600 0.134 0.000 0.938 1257 K CA -0.832 55.486 56.287 0.053 0.000 0.819 1257 K CB 2.230 34.773 32.500 0.073 0.000 1.333 1257 K HN 0.846 nan 8.250 nan 0.000 0.434 1258 A N 1.103 124.068 122.820 0.242 0.000 2.531 1258 A HA 0.129 4.449 4.320 -0.000 0.000 0.236 1258 A C 0.598 178.208 177.584 0.043 0.000 1.062 1258 A CA 0.067 52.162 52.037 0.096 0.000 0.760 1258 A CB 0.500 19.524 19.000 0.039 0.000 0.995 1258 A HN 0.536 nan 8.150 nan 0.000 0.501 1259 V N 2.535 122.445 119.914 -0.006 0.000 3.426 1259 V HA 0.224 4.344 4.120 -0.000 0.000 0.271 1259 V C 1.784 177.843 176.094 -0.058 0.000 1.530 1259 V CA 1.475 63.761 62.300 -0.024 0.000 1.021 1259 V CB -0.325 31.491 31.823 -0.011 0.000 0.824 1259 V HN 1.154 nan 8.190 nan 0.000 0.432 1260 G N 0.657 109.417 108.800 -0.066 0.000 2.553 1260 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.218 1260 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.218 1260 G C 1.200 176.038 174.900 -0.104 0.000 1.195 1260 G CA 1.711 46.773 45.100 -0.063 0.000 0.779 1260 G HN 0.620 nan 8.290 nan 0.000 0.577 1261 E N 0.359 120.405 120.200 -0.257 0.000 2.201 1261 E HA 0.043 4.393 4.350 -0.000 0.000 0.193 1261 E C -0.180 176.042 176.600 -0.630 0.000 0.957 1261 E CA -0.014 56.126 56.400 -0.434 0.000 0.858 1261 E CB -0.038 29.283 29.700 -0.633 0.000 0.816 1261 E HN 0.293 nan 8.360 nan 0.000 0.475 1262 P HA -0.189 nan 4.420 nan 0.000 0.219 1262 P C -1.631 175.612 177.300 -0.095 0.000 1.158 1262 P CA 2.008 64.847 63.100 -0.435 0.000 0.895 1262 P CB -0.849 30.752 31.700 -0.166 0.000 0.792 1263 P HA -0.071 nan 4.420 nan 0.000 0.223 1263 P C 1.618 179.015 177.300 0.162 0.000 1.151 1263 P CA 0.692 63.857 63.100 0.108 0.000 0.787 1263 P CB -0.428 31.337 31.700 0.109 0.000 0.788 1264 L N -1.315 119.959 121.223 0.084 0.000 2.013 1264 L HA -0.212 4.128 4.340 -0.000 0.000 0.212 1264 L C 2.214 179.184 176.870 0.167 0.000 1.073 1264 L CA 1.716 56.610 54.840 0.089 0.000 0.753 1264 L CB -0.731 41.345 42.059 0.028 0.000 0.890 1264 L HN -0.091 nan 8.230 nan 0.000 0.432 1265 F N 0.117 120.144 119.950 0.128 0.000 2.250 1265 F HA -0.216 4.311 4.527 -0.000 0.000 0.301 1265 F C 1.968 177.928 175.800 0.267 0.000 1.077 1265 F CA 1.321 59.467 58.000 0.244 0.000 1.348 1265 F CB -0.318 38.812 39.000 0.216 0.000 1.040 1265 F HN 0.014 nan 8.300 nan 0.000 0.509 1266 L N -0.155 121.130 121.223 0.104 0.000 2.349 1266 L HA -0.191 4.149 4.340 -0.000 0.000 0.220 1266 L C 2.604 179.547 176.870 0.122 0.000 1.130 1266 L CA 1.027 55.946 54.840 0.132 0.000 0.791 1266 L CB -1.497 40.777 42.059 0.358 0.000 0.918 1266 L HN 0.347 nan 8.230 nan 0.000 0.444 1267 G N -0.444 108.294 108.800 -0.103 0.000 2.509 1267 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.218 1267 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.218 1267 G C 1.722 176.523 174.900 -0.164 0.000 1.124 1267 G CA 0.661 45.482 45.100 -0.465 0.000 0.776 1267 G HN 0.478 nan 8.290 nan 0.000 0.547 1268 A N 1.394 124.004 122.820 -0.350 0.000 2.070 1268 A HA 0.004 4.324 4.320 -0.000 0.000 0.220 1268 A C 2.674 180.185 177.584 -0.121 0.000 1.159 1268 A CA 2.081 53.712 52.037 -0.677 0.000 0.656 1268 A CB -0.562 17.702 19.000 -1.226 0.000 0.800 1268 A HN 0.687 nan 8.150 nan 0.000 0.453 1269 S N -0.293 115.403 115.700 -0.006 0.000 2.400 1269 S HA -0.135 4.335 4.470 -0.000 0.000 0.232 1269 S C 1.659 176.352 174.600 0.155 0.000 1.025 1269 S CA 1.480 59.773 58.200 0.156 0.000 0.993 1269 S CB -0.838 62.473 63.200 0.184 0.000 0.808 1269 S HN 0.268 nan 8.310 nan 0.000 0.478 1270 V N 0.845 120.821 119.914 0.103 0.000 2.453 1270 V HA -0.025 4.095 4.120 -0.000 0.000 0.247 1270 V C 2.045 178.131 176.094 -0.014 0.000 1.048 1270 V CA 1.768 64.109 62.300 0.068 0.000 1.049 1270 V CB -1.011 30.846 31.823 0.056 0.000 0.672 1270 V HN 0.562 nan 8.190 nan 0.000 0.457 1271 F N 0.564 120.381 119.950 -0.222 0.000 2.102 1271 F HA -0.188 4.339 4.527 -0.000 0.000 0.298 1271 F C 1.976 177.530 175.800 -0.410 0.000 1.105 1271 F CA 1.840 59.611 58.000 -0.381 0.000 1.239 1271 F CB -0.267 38.350 39.000 -0.637 0.000 0.991 1271 F HN 0.144 nan 8.300 nan 0.000 0.474 1272 F N -0.117 119.924 119.950 0.151 0.000 2.456 1272 F HA 0.071 4.598 4.527 -0.000 0.000 0.298 1272 F C 2.372 178.163 175.800 -0.015 0.000 1.104 1272 F CA 0.605 58.647 58.000 0.069 0.000 1.435 1272 F CB -0.783 38.274 39.000 0.096 0.000 1.078 1272 F HN 0.062 nan 8.300 nan 0.000 0.546 1273 A N 0.368 123.249 122.820 0.103 0.000 1.929 1273 A HA -0.065 4.255 4.320 -0.000 0.000 0.216 1273 A C 2.169 179.737 177.584 -0.026 0.000 1.176 1273 A CA 1.088 53.159 52.037 0.058 0.000 0.628 1273 A CB -0.822 18.211 19.000 0.054 0.000 0.816 1273 A HN 0.359 nan 8.150 nan 0.000 0.444 1274 I N -0.508 119.977 120.570 -0.140 0.000 2.226 1274 I HA -0.257 3.912 4.170 -0.000 0.000 0.245 1274 I C 2.541 178.555 176.117 -0.172 0.000 1.100 1274 I CA 1.777 62.941 61.300 -0.226 0.000 1.374 1274 I CB -0.200 37.542 38.000 -0.430 0.000 1.057 1274 I HN 0.339 nan 8.210 nan 0.000 0.413 1275 K N 0.659 120.931 120.400 -0.213 0.000 2.148 1275 K HA -0.252 4.068 4.320 -0.000 0.000 0.204 1275 K C 1.726 178.399 176.600 0.121 0.000 1.050 1275 K CA 1.810 58.073 56.287 -0.040 0.000 0.942 1275 K CB -0.051 32.395 32.500 -0.090 0.000 0.724 1275 K HN 0.174 nan 8.250 nan 0.000 0.446 1276 D N 0.042 120.491 120.400 0.083 0.000 2.097 1276 D HA -0.110 4.530 4.640 -0.000 0.000 0.195 1276 D C 1.660 178.010 176.300 0.083 0.000 0.989 1276 D CA 1.443 55.504 54.000 0.102 0.000 0.827 1276 D CB -0.014 40.838 40.800 0.086 0.000 0.966 1276 D HN 0.292 nan 8.370 nan 0.000 0.456 1277 A N 0.195 123.042 122.820 0.045 0.000 1.902 1277 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 1277 A C 2.440 180.045 177.584 0.034 0.000 1.181 1277 A CA 1.125 53.184 52.037 0.037 0.000 0.623 1277 A CB -0.803 18.206 19.000 0.014 0.000 0.818 1277 A HN 0.371 nan 8.150 nan 0.000 0.443 1278 I N -0.978 119.610 120.570 0.029 0.000 2.286 1278 I HA -0.276 3.894 4.170 -0.000 0.000 0.248 1278 I C 2.781 178.864 176.117 -0.056 0.000 1.115 1278 I CA 1.244 62.526 61.300 -0.030 0.000 1.392 1278 I CB -0.353 37.626 38.000 -0.036 0.000 1.065 1278 I HN 0.320 nan 8.210 nan 0.000 0.418 1279 R N 0.681 121.243 120.500 0.104 0.000 2.081 1279 R HA -0.156 4.184 4.340 -0.000 0.000 0.235 1279 R C 2.486 178.809 176.300 0.037 0.000 1.131 1279 R CA 1.549 57.729 56.100 0.133 0.000 0.960 1279 R CB -0.458 29.982 30.300 0.234 0.000 0.856 1279 R HN 0.367 nan 8.270 nan 0.000 0.436 1280 A N 1.175 124.016 122.820 0.036 0.000 1.908 1280 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 1280 A C 2.354 179.918 177.584 -0.034 0.000 1.181 1280 A CA 1.854 53.897 52.037 0.009 0.000 0.627 1280 A CB -0.617 18.401 19.000 0.031 0.000 0.818 1280 A HN 0.426 nan 8.150 nan 0.000 0.445 1281 A N -0.390 122.415 122.820 -0.026 0.000 1.930 1281 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 1281 A C 2.239 179.793 177.584 -0.050 0.000 1.175 1281 A CA 1.449 53.470 52.037 -0.027 0.000 0.627 1281 A CB -0.407 18.604 19.000 0.018 0.000 0.815 1281 A HN 0.562 nan 8.150 nan 0.000 0.443 1282 R N -0.537 119.912 120.500 -0.084 0.000 2.092 1282 R HA 0.007 4.347 4.340 -0.000 0.000 0.231 1282 R C 2.385 178.645 176.300 -0.066 0.000 1.119 1282 R CA 1.067 57.111 56.100 -0.094 0.000 0.970 1282 R CB -0.398 29.796 30.300 -0.177 0.000 0.864 1282 R HN 0.485 nan 8.270 nan 0.000 0.440 1283 A N 0.794 123.577 122.820 -0.060 0.000 2.015 1283 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 1283 A C 2.073 179.584 177.584 -0.122 0.000 1.163 1283 A CA 1.278 53.279 52.037 -0.059 0.000 0.646 1283 A CB -0.248 18.732 19.000 -0.034 0.000 0.806 1283 A HN 0.233 nan 8.150 nan 0.000 0.448 1284 Q N -0.985 118.696 119.800 -0.199 0.000 2.096 1284 Q HA -0.103 4.237 4.340 -0.000 0.000 0.197 1284 Q C 1.337 176.998 176.000 -0.566 0.000 0.964 1284 Q CA 2.244 57.796 55.803 -0.418 0.000 0.838 1284 Q CB -0.185 28.219 28.738 -0.557 0.000 0.906 1284 Q HN 0.814 nan 8.270 nan 0.000 0.444 1285 H N -2.609 116.388 119.070 -0.122 0.000 3.205 1285 H HA 0.293 4.849 4.556 -0.000 0.000 0.252 1285 H C 1.339 176.626 175.328 -0.068 0.000 1.015 1285 H CA 0.610 56.596 56.048 -0.103 0.000 1.192 1285 H CB 0.786 30.482 29.762 -0.110 0.000 1.474 1285 H HN 0.107 nan 8.280 nan 0.000 0.484 1286 T N 0.597 115.173 114.554 0.037 0.000 2.671 1286 T HA -0.030 4.320 4.350 -0.000 0.000 0.250 1286 T C 0.667 175.366 174.700 -0.003 0.000 1.068 1286 T CA 1.506 63.610 62.100 0.006 0.000 1.177 1286 T CB -0.164 68.686 68.868 -0.029 0.000 0.876 1286 T HN 0.487 nan 8.240 nan 0.000 0.405 1287 N N 0.674 119.368 118.700 -0.010 0.000 3.522 1287 N HA 0.285 5.025 4.740 -0.000 0.000 0.328 1287 N C -0.926 174.580 175.510 -0.007 0.000 1.623 1287 N CA -0.707 52.340 53.050 -0.004 0.000 0.812 1287 N CB 0.275 38.767 38.487 0.009 0.000 2.008 1287 N HN 0.177 nan 8.380 nan 0.000 0.601 1288 N N -2.592 116.110 118.700 0.002 0.000 2.197 1288 N HA 0.186 4.926 4.740 -0.000 0.000 0.228 1288 N C -0.949 174.571 175.510 0.018 0.000 1.212 1288 N CA -0.464 52.588 53.050 0.003 0.000 0.883 1288 N CB -0.012 38.474 38.487 -0.002 0.000 1.107 1288 N HN 0.514 nan 8.380 nan 0.000 0.519 1289 N N 1.355 120.073 118.700 0.030 0.000 2.466 1289 N HA -0.004 4.735 4.740 -0.000 0.000 0.263 1289 N C 0.790 176.335 175.510 0.058 0.000 1.178 1289 N CA 0.126 53.203 53.050 0.044 0.000 0.983 1289 N CB 0.510 39.029 38.487 0.054 0.000 1.331 1289 N HN 0.327 nan 8.380 nan 0.000 0.500 1290 T N 0.216 114.801 114.554 0.051 0.000 3.155 1290 T HA -0.008 4.342 4.350 -0.000 0.000 0.264 1290 T C 0.773 175.519 174.700 0.075 0.000 1.160 1290 T CA 1.006 63.142 62.100 0.059 0.000 1.075 1290 T CB -0.109 68.787 68.868 0.046 0.000 0.921 1290 T HN 0.432 nan 8.240 nan 0.000 0.533 1291 K N 0.632 121.079 120.400 0.079 0.000 2.506 1291 K HA 0.236 4.556 4.320 -0.000 0.000 0.204 1291 K C 0.271 176.931 176.600 0.101 0.000 1.045 1291 K CA -0.275 56.065 56.287 0.088 0.000 1.074 1291 K CB 0.714 33.263 32.500 0.082 0.000 0.842 1291 K HN 0.485 nan 8.250 nan 0.000 0.514 1292 E N 1.745 122.014 120.200 0.115 0.000 2.392 1292 E HA 0.064 4.414 4.350 -0.000 0.000 0.264 1292 E C -0.820 175.878 176.600 0.163 0.000 1.024 1292 E CA 0.029 56.512 56.400 0.138 0.000 0.903 1292 E CB 0.613 30.405 29.700 0.155 0.000 0.963 1292 E HN 0.157 nan 8.360 nan 0.000 0.432 1293 L N 6.782 128.090 121.223 0.141 0.000 2.356 1293 L HA 0.314 4.654 4.340 -0.000 0.000 0.264 1293 L C -0.415 176.520 176.870 0.108 0.000 1.029 1293 L CA -0.926 53.963 54.840 0.082 0.000 0.897 1293 L CB -0.035 42.071 42.059 0.078 0.000 1.256 1293 L HN 0.431 nan 8.230 nan 0.000 0.444 1294 F N 0.649 120.654 119.950 0.091 0.000 2.385 1294 F HA 0.596 5.123 4.527 -0.000 0.000 0.336 1294 F C 0.397 176.265 175.800 0.113 0.000 1.100 1294 F CA -1.018 57.034 58.000 0.087 0.000 1.116 1294 F CB 0.581 39.620 39.000 0.065 0.000 1.166 1294 F HN 0.331 nan 8.300 nan 0.000 0.511 1295 R N 3.517 124.133 120.500 0.194 0.000 2.490 1295 R HA 0.570 4.910 4.340 -0.000 0.000 0.280 1295 R C -1.727 174.718 176.300 0.242 0.000 1.077 1295 R CA -0.694 55.497 56.100 0.151 0.000 1.065 1295 R CB 0.920 31.331 30.300 0.185 0.000 1.003 1295 R HN 0.902 nan 8.270 nan 0.000 0.470 1296 L N 4.684 126.033 121.223 0.211 0.000 2.518 1296 L HA 0.364 4.703 4.340 -0.000 0.000 0.262 1296 L C -1.448 175.690 176.870 0.447 0.000 0.982 1296 L CA -0.447 54.577 54.840 0.306 0.000 0.873 1296 L CB 1.521 43.720 42.059 0.234 0.000 1.198 1296 L HN 0.689 nan 8.230 nan 0.000 0.427 1297 D N 1.460 122.100 120.400 0.401 0.000 2.383 1297 D HA 0.290 4.929 4.640 -0.000 0.000 0.248 1297 D C -0.377 176.199 176.300 0.459 0.000 1.170 1297 D CA -0.048 54.219 54.000 0.444 0.000 0.977 1297 D CB 1.686 42.730 40.800 0.407 0.000 1.120 1297 D HN 0.438 nan 8.370 nan 0.000 0.481 1298 S N 0.124 115.983 115.700 0.265 0.000 2.525 1298 S HA 0.505 4.974 4.470 -0.000 0.000 0.290 1298 S C -2.654 171.980 174.600 0.056 0.000 1.152 1298 S CA -1.480 56.747 58.200 0.044 0.000 1.072 1298 S CB 1.277 64.123 63.200 -0.590 0.000 1.027 1298 S HN 0.165 nan 8.310 nan 0.000 0.500 1299 P HA 0.274 nan 4.420 nan 0.000 0.284 1299 P C -1.231 176.163 177.300 0.156 0.000 1.253 1299 P CA -0.543 62.607 63.100 0.083 0.000 0.800 1299 P CB 0.996 32.685 31.700 -0.019 0.000 0.961 1300 A N 3.031 125.986 122.820 0.224 0.000 2.906 1300 A HA 0.338 4.658 4.320 -0.000 0.000 0.289 1300 A C 1.033 178.581 177.584 -0.060 0.000 1.675 1300 A CA -0.082 51.970 52.037 0.025 0.000 1.372 1300 A CB -1.412 17.420 19.000 -0.280 0.000 1.091 1300 A HN 0.615 nan 8.150 nan 0.000 0.579 1301 T N -0.576 113.950 114.554 -0.047 0.000 2.788 1301 T HA 0.385 4.735 4.350 -0.000 0.000 0.280 1301 T C -1.789 172.823 174.700 -0.148 0.000 0.984 1301 T CA -1.468 60.587 62.100 -0.075 0.000 0.972 1301 T CB 0.477 69.308 68.868 -0.062 0.000 1.039 1301 T HN 0.147 nan 8.240 nan 0.000 0.530 1302 P HA -0.087 nan 4.420 nan 0.000 0.218 1302 P C 1.521 178.426 177.300 -0.658 0.000 1.148 1302 P CA 1.056 64.041 63.100 -0.191 0.000 0.822 1302 P CB 0.058 31.764 31.700 0.010 0.000 0.784 1303 E N 0.451 120.078 120.200 -0.956 0.000 2.051 1303 E HA -0.223 4.127 4.350 -0.000 0.000 0.192 1303 E C 1.684 177.911 176.600 -0.621 0.000 0.991 1303 E CA 1.335 56.887 56.400 -1.414 0.000 0.799 1303 E CB -0.194 29.066 29.700 -0.733 0.000 0.748 1303 E HN 0.145 nan 8.360 nan 0.000 0.449 1304 K N 0.164 120.375 120.400 -0.315 0.000 2.097 1304 K HA -0.073 4.247 4.320 -0.000 0.000 0.205 1304 K C 2.292 178.813 176.600 -0.131 0.000 1.050 1304 K CA 1.188 57.390 56.287 -0.142 0.000 0.938 1304 K CB -0.074 32.404 32.500 -0.037 0.000 0.718 1304 K HN 0.271 nan 8.250 nan 0.000 0.442 1305 I N 0.646 121.116 120.570 -0.167 0.000 2.163 1305 I HA -0.260 3.910 4.170 -0.000 0.000 0.240 1305 I C 2.610 178.675 176.117 -0.087 0.000 1.081 1305 I CA 1.001 62.227 61.300 -0.123 0.000 1.353 1305 I CB -0.189 37.741 38.000 -0.117 0.000 1.054 1305 I HN 0.058 nan 8.210 nan 0.000 0.407 1306 R N 1.709 122.149 120.500 -0.100 0.000 2.073 1306 R HA -0.152 4.188 4.340 -0.000 0.000 0.234 1306 R C 1.937 178.247 176.300 0.017 0.000 1.134 1306 R CA 1.763 57.874 56.100 0.018 0.000 0.952 1306 R CB -0.558 29.859 30.300 0.194 0.000 0.850 1306 R HN 0.301 nan 8.270 nan 0.000 0.433 1307 N N 0.193 118.872 118.700 -0.035 0.000 2.289 1307 N HA -0.096 4.644 4.740 -0.000 0.000 0.184 1307 N C 1.317 176.812 175.510 -0.025 0.000 1.016 1307 N CA 1.440 54.487 53.050 -0.004 0.000 0.872 1307 N CB -0.309 38.169 38.487 -0.016 0.000 0.973 1307 N HN 0.381 nan 8.380 nan 0.000 0.433 1308 A N -0.128 122.655 122.820 -0.061 0.000 2.014 1308 A HA -0.012 4.308 4.320 -0.000 0.000 0.218 1308 A C 1.256 178.740 177.584 -0.167 0.000 1.163 1308 A CA 0.346 52.302 52.037 -0.135 0.000 0.652 1308 A CB -0.304 18.597 19.000 -0.165 0.000 0.808 1308 A HN 0.344 nan 8.150 nan 0.000 0.449 1309 C N 1.917 121.172 119.300 -0.076 0.000 3.025 1309 C HA 0.375 4.835 4.460 -0.000 0.000 0.547 1309 C C 0.692 175.695 174.990 0.021 0.000 1.058 1309 C CA -1.084 57.921 59.018 -0.022 0.000 1.164 1309 C CB -2.392 25.379 27.740 0.052 0.000 1.405 1309 C HN 0.311 nan 8.230 nan 0.000 0.610 1310 V N 4.190 124.091 119.914 -0.021 0.000 2.557 1310 V HA 0.156 4.275 4.120 -0.000 0.000 0.301 1310 V C 0.338 176.451 176.094 0.031 0.000 1.026 1310 V CA 1.061 63.362 62.300 0.001 0.000 1.137 1310 V CB 0.123 31.932 31.823 -0.023 0.000 0.917 1310 V HN 0.874 nan 8.190 nan 0.000 0.484 1311 D N 2.846 123.258 120.400 0.019 0.000 2.921 1311 D HA 0.256 4.896 4.640 -0.000 0.000 0.329 1311 D C 0.650 176.871 176.300 -0.132 0.000 1.293 1311 D CA -0.491 53.491 54.000 -0.030 0.000 0.964 1311 D CB 0.669 41.459 40.800 -0.016 0.000 1.435 1311 D HN 0.330 nan 8.370 nan 0.000 0.548 1312 K N -0.383 119.824 120.400 -0.321 0.000 2.209 1312 K HA -0.042 4.278 4.320 -0.000 0.000 0.204 1312 K C 1.446 177.752 176.600 -0.489 0.000 1.048 1312 K CA 1.201 57.216 56.287 -0.453 0.000 0.940 1312 K CB -0.540 31.579 32.500 -0.636 0.000 0.729 1312 K HN 0.314 nan 8.250 nan 0.000 0.451 1313 F N 2.640 122.499 119.950 -0.150 0.000 2.149 1313 F HA -0.103 4.424 4.527 -0.000 0.000 0.294 1313 F C 2.973 178.714 175.800 -0.098 0.000 1.095 1313 F CA 1.325 59.235 58.000 -0.150 0.000 1.276 1313 F CB -0.924 37.955 39.000 -0.202 0.000 1.023 1313 F HN 0.118 nan 8.300 nan 0.000 0.480 1314 T N -2.801 111.813 114.554 0.101 0.000 2.759 1314 T HA -0.189 4.161 4.350 -0.000 0.000 0.269 1314 T C 1.813 176.519 174.700 0.010 0.000 1.042 1314 T CA 1.914 64.044 62.100 0.051 0.000 1.140 1314 T CB -1.166 67.729 68.868 0.045 0.000 0.864 1314 T HN 0.184 nan 8.240 nan 0.000 0.455 1315 T N 2.191 116.733 114.554 -0.021 0.000 2.788 1315 T HA 0.140 4.490 4.350 -0.000 0.000 0.268 1315 T C 1.863 176.541 174.700 -0.037 0.000 1.044 1315 T CA 1.034 63.112 62.100 -0.036 0.000 1.139 1315 T CB -0.441 68.391 68.868 -0.061 0.000 0.867 1315 T HN 0.319 nan 8.240 nan 0.000 0.454 1316 L N 0.364 121.562 121.223 -0.043 0.000 2.156 1316 L HA 0.001 4.341 4.340 -0.000 0.000 0.208 1316 L C 1.579 178.435 176.870 -0.024 0.000 1.095 1316 L CA 0.194 55.011 54.840 -0.037 0.000 0.770 1316 L CB -0.472 41.565 42.059 -0.037 0.000 0.914 1316 L HN 0.342 nan 8.230 nan 0.000 0.439 1327 P HA 0.121 nan 4.420 nan 0.000 0.272 1327 P C 0.423 177.800 177.300 0.129 0.000 1.223 1327 P CA -0.542 62.614 63.100 0.093 0.000 0.784 1327 P CB 0.786 32.530 31.700 0.074 0.000 0.923 1328 W N 2.523 123.820 121.300 -0.005 0.000 2.338 1328 W HA -0.131 4.529 4.660 -0.000 0.000 0.304 1328 W C 0.621 177.137 176.519 -0.004 0.000 1.212 1328 W CA 1.838 59.180 57.345 -0.005 0.000 1.264 1328 W CB -0.179 29.278 29.460 -0.004 0.000 1.142 1328 W HN 0.586 nan 8.180 nan 0.000 0.512 1329 S N -0.607 115.118 115.700 0.041 0.000 2.627 1329 S HA 0.663 5.133 4.470 -0.000 0.000 0.283 1329 S C -1.392 173.189 174.600 -0.032 0.000 1.127 1329 S CA -0.986 57.125 58.200 -0.149 0.000 0.863 1329 S CB 2.302 65.414 63.200 -0.147 0.000 1.121 1329 S HN 0.239 nan 8.310 nan 0.000 0.479 1330 L N 0.867 122.052 121.223 -0.064 0.000 2.543 1330 L HA 0.561 4.901 4.340 -0.000 0.000 0.265 1330 L C -0.667 176.183 176.870 -0.033 0.000 0.945 1330 L CA -0.383 54.440 54.840 -0.029 0.000 0.869 1330 L CB 2.052 44.091 42.059 -0.033 0.000 1.294 1330 L HN 0.885 nan 8.230 nan 0.000 0.405 1331 R N 2.654 123.147 120.500 -0.013 0.000 2.623 1331 R HA 0.459 4.799 4.340 -0.000 0.000 0.271 1331 R C -0.014 176.275 176.300 -0.019 0.000 1.043 1331 R CA 0.082 56.174 56.100 -0.013 0.000 1.083 1331 R CB 0.670 30.969 30.300 -0.001 0.000 0.974 1331 R HN 0.616 nan 8.270 nan 0.000 0.436 1332 V N 0.000 119.901 119.914 -0.022 0.000 2.409 1332 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 1332 V CA 0.000 62.287 62.300 -0.022 0.000 1.235 1332 V CB 0.000 31.807 31.823 -0.027 0.000 1.184 1332 V HN 0.000 nan 8.190 nan 0.000 0.556