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 3amz_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 FAKXXXXXXX XXXXXXXXXX XXXXXXXXXS 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 VLKKLGKXXX XXXXXLDPTY 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 FTTLCVTGXX 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 0.000 177.509 177.584 -0.124 0.000 1.274 3 A CA 0.000 51.927 52.037 -0.183 0.000 0.836 3 A CB 0.000 18.870 19.000 -0.216 0.000 0.831 4 D N 0.956 121.322 120.400 -0.058 0.000 5.151 4 D HA -0.220 4.421 4.640 0.001 0.000 0.243 4 D C 0.492 176.910 176.300 0.197 0.000 1.563 4 D CA 2.111 56.145 54.000 0.056 0.000 0.858 4 D CB -0.391 40.444 40.800 0.059 0.000 0.880 4 D HN 0.734 nan 8.370 nan 0.000 0.721 5 E N 0.112 120.415 120.200 0.173 0.000 2.338 5 E HA 0.259 4.610 4.350 0.001 0.000 0.272 5 E C -0.249 176.562 176.600 0.352 0.000 1.029 5 E CA -0.486 56.051 56.400 0.228 0.000 0.872 5 E CB 1.303 31.109 29.700 0.176 0.000 1.015 5 E HN 0.046 nan 8.360 nan 0.000 0.417 6 L N 4.221 125.619 121.223 0.292 0.000 2.272 6 L HA 0.313 4.654 4.340 0.001 0.000 0.289 6 L C -1.275 175.813 176.870 0.362 0.000 1.032 6 L CA -0.565 54.459 54.840 0.307 0.000 0.810 6 L CB 1.437 43.407 42.059 -0.147 0.000 1.205 6 L HN 0.233 nan 8.230 nan 0.000 0.422 7 V N 7.185 127.419 119.914 0.533 0.000 2.443 7 V HA 0.569 4.690 4.120 0.001 0.000 0.293 7 V C -0.358 175.905 176.094 0.282 0.000 1.021 7 V CA -0.388 62.054 62.300 0.237 0.000 0.848 7 V CB 0.836 32.788 31.823 0.215 0.000 0.998 7 V HN 0.727 nan 8.190 nan 0.000 0.424 8 F N 2.547 122.458 119.950 -0.064 0.000 2.824 8 F HA 0.894 5.422 4.527 0.001 0.000 0.330 8 F C -1.600 174.132 175.800 -0.113 0.000 1.175 8 F CA -1.414 56.604 58.000 0.031 0.000 0.974 8 F CB 1.533 40.550 39.000 0.028 0.000 1.430 8 F HN 0.216 nan 8.300 nan 0.000 0.507 9 F N 0.803 120.790 119.950 0.061 0.000 2.532 9 F HA 0.731 5.259 4.527 0.001 0.000 0.321 9 F C -0.705 175.096 175.800 0.001 0.000 1.089 9 F CA -1.144 56.802 58.000 -0.089 0.000 0.926 9 F CB 2.339 41.268 39.000 -0.119 0.000 1.168 9 F HN 0.318 nan 8.300 nan 0.000 0.459 10 V N 3.228 123.186 119.914 0.075 0.000 2.482 10 V HA 0.287 4.408 4.120 0.001 0.000 0.295 10 V C -0.627 175.503 176.094 0.059 0.000 1.026 10 V CA -1.331 61.023 62.300 0.091 0.000 0.856 10 V CB 1.486 33.349 31.823 0.067 0.000 1.001 10 V HN 0.827 nan 8.190 nan 0.000 0.424 11 N N 4.045 122.780 118.700 0.058 0.000 2.727 11 N HA -0.223 4.517 4.740 0.001 0.000 0.249 11 N C 1.203 176.737 175.510 0.040 0.000 1.048 11 N CA 1.643 54.709 53.050 0.027 0.000 0.714 11 N CB -1.095 37.391 38.487 -0.000 0.000 0.959 11 N HN 1.582 nan 8.380 nan 0.000 0.544 12 G N -1.155 107.692 108.800 0.078 0.000 2.199 12 G HA2 -0.385 3.575 3.960 0.001 0.000 0.254 12 G HA3 -0.385 3.575 3.960 0.001 0.000 0.254 12 G C -0.000 175.020 174.900 0.199 0.000 0.982 12 G CA 0.976 46.131 45.100 0.091 0.000 0.632 12 G HN 0.821 nan 8.290 nan 0.000 0.529 13 K N 0.782 121.257 120.400 0.124 0.000 2.138 13 K HA 0.635 4.956 4.320 0.001 0.000 0.263 13 K C 0.231 176.696 176.600 -0.224 0.000 0.965 13 K CA -0.839 55.456 56.287 0.013 0.000 0.868 13 K CB 1.038 33.513 32.500 -0.042 0.000 1.083 13 K HN 0.138 nan 8.250 nan 0.000 0.443 14 K N 2.872 122.998 120.400 -0.457 0.000 2.298 14 K HA 0.194 4.514 4.320 0.001 0.000 0.280 14 K C -1.245 174.929 176.600 -0.711 0.000 1.032 14 K CA -0.616 55.005 56.287 -1.110 0.000 0.958 14 K CB 0.991 32.929 32.500 -0.938 0.000 0.978 14 K HN 0.410 nan 8.250 nan 0.000 0.472 15 V N 4.860 124.281 119.914 -0.823 0.000 2.448 15 V HA 0.289 4.409 4.120 0.001 0.000 0.295 15 V C -0.814 174.991 176.094 -0.483 0.000 1.025 15 V CA -0.931 60.983 62.300 -0.644 0.000 0.859 15 V CB 1.788 32.999 31.823 -1.019 0.000 0.988 15 V HN 0.536 nan 8.190 nan 0.000 0.431 16 V N 3.834 123.597 119.914 -0.252 0.000 2.326 16 V HA 0.421 4.541 4.120 0.001 0.000 0.281 16 V C -0.227 175.849 176.094 -0.030 0.000 1.015 16 V CA -0.577 61.661 62.300 -0.103 0.000 0.823 16 V CB 1.515 33.300 31.823 -0.062 0.000 1.009 16 V HN 0.899 nan 8.190 nan 0.000 0.436 17 E N 4.003 124.215 120.200 0.019 0.000 2.055 17 E HA 0.338 4.688 4.350 0.001 0.000 0.274 17 E C 0.695 177.338 176.600 0.071 0.000 0.949 17 E CA -0.185 56.255 56.400 0.067 0.000 0.775 17 E CB 1.219 30.950 29.700 0.051 0.000 1.097 17 E HN 0.516 nan 8.360 nan 0.000 0.404 18 K N 2.943 123.387 120.400 0.072 0.000 2.366 18 K HA 0.127 4.447 4.320 0.001 0.000 0.198 18 K C 0.005 176.660 176.600 0.091 0.000 1.044 18 K CA 0.453 56.789 56.287 0.082 0.000 0.973 18 K CB 0.327 32.865 32.500 0.063 0.000 0.767 18 K HN 0.325 nan 8.250 nan 0.000 0.475 19 N N 0.924 119.671 118.700 0.078 0.000 2.723 19 N HA 0.153 4.894 4.740 0.001 0.000 0.290 19 N C -1.384 174.154 175.510 0.046 0.000 1.882 19 N CA -0.102 52.994 53.050 0.076 0.000 0.851 19 N CB 1.543 40.071 38.487 0.067 0.000 1.234 19 N HN 0.027 nan 8.380 nan 0.000 0.491 20 A N 0.747 123.560 122.820 -0.012 0.000 2.492 20 A HA 0.045 4.366 4.320 0.001 0.000 0.254 20 A C 0.296 177.817 177.584 -0.105 0.000 1.091 20 A CA 0.167 52.103 52.037 -0.168 0.000 0.768 20 A CB 0.318 18.986 19.000 -0.554 0.000 1.028 20 A HN 0.290 nan 8.150 nan 0.000 0.498 21 D N 3.532 123.884 120.400 -0.080 0.000 2.280 21 D HA 0.285 4.926 4.640 0.001 0.000 0.243 21 D C -1.747 174.488 176.300 -0.109 0.000 1.129 21 D CA -1.823 52.153 54.000 -0.039 0.000 0.848 21 D CB 1.436 42.235 40.800 -0.001 0.000 1.107 21 D HN 0.148 nan 8.370 nan 0.000 0.471 22 P HA -0.108 nan 4.420 nan 0.000 0.220 22 P C 0.428 177.717 177.300 -0.019 0.000 1.144 22 P CA 1.055 64.111 63.100 -0.074 0.000 0.800 22 P CB 0.299 32.142 31.700 0.239 0.000 0.772 23 E N -1.782 118.427 120.200 0.016 0.000 2.489 23 E HA 0.020 4.370 4.350 0.001 0.000 0.193 23 E C 0.076 176.664 176.600 -0.020 0.000 1.057 23 E CA 0.298 56.714 56.400 0.028 0.000 0.866 23 E CB -0.294 29.429 29.700 0.039 0.000 0.916 23 E HN 0.207 nan 8.360 nan 0.000 0.500 24 T N 2.423 116.941 114.554 -0.062 0.000 2.779 24 T HA 0.086 4.437 4.350 0.001 0.000 0.296 24 T C 0.405 175.060 174.700 -0.075 0.000 0.938 24 T CA -0.222 61.849 62.100 -0.047 0.000 1.119 24 T CB 0.910 69.768 68.868 -0.017 0.000 0.891 24 T HN 0.153 nan 8.240 nan 0.000 0.526 25 T N 1.558 116.094 114.554 -0.029 0.000 2.882 25 T HA 0.257 4.608 4.350 0.001 0.000 0.287 25 T C 1.418 176.111 174.700 -0.011 0.000 1.014 25 T CA -0.970 61.114 62.100 -0.026 0.000 1.049 25 T CB 0.663 69.537 68.868 0.010 0.000 1.001 25 T HN 0.286 nan 8.240 nan 0.000 0.525 26 L N 1.688 122.889 121.223 -0.037 0.000 2.079 26 L HA 0.036 4.377 4.340 0.001 0.000 0.210 26 L C 2.163 179.082 176.870 0.083 0.000 1.081 26 L CA 1.585 56.423 54.840 -0.003 0.000 0.752 26 L CB -1.230 40.800 42.059 -0.048 0.000 0.896 26 L HN 0.795 nan 8.230 nan 0.000 0.433 27 L N -0.083 121.175 121.223 0.058 0.000 2.017 27 L HA -0.108 4.233 4.340 0.001 0.000 0.208 27 L C 2.505 179.413 176.870 0.063 0.000 1.073 27 L CA 2.156 57.032 54.840 0.060 0.000 0.745 27 L CB -1.098 40.994 42.059 0.054 0.000 0.894 27 L HN 0.273 nan 8.230 nan 0.000 0.432 28 A N -1.649 121.205 122.820 0.056 0.000 1.933 28 A HA -0.270 4.051 4.320 0.001 0.000 0.218 28 A C 2.287 179.906 177.584 0.059 0.000 1.175 28 A CA 1.804 53.861 52.037 0.034 0.000 0.628 28 A CB -1.154 17.850 19.000 0.006 0.000 0.814 28 A HN 0.622 nan 8.150 nan 0.000 0.444 29 Y N 0.338 120.630 120.300 -0.013 0.000 2.163 29 Y HA -0.131 4.419 4.550 0.001 0.000 0.288 29 Y C 2.077 177.993 175.900 0.027 0.000 1.136 29 Y CA 1.820 59.927 58.100 0.011 0.000 1.147 29 Y CB -0.228 38.258 38.460 0.043 0.000 0.987 29 Y HN 0.222 nan 8.280 nan 0.000 0.509 30 L N -0.407 120.929 121.223 0.188 0.000 2.012 30 L HA -0.275 4.065 4.340 0.001 0.000 0.210 30 L C 2.540 179.414 176.870 0.007 0.000 1.073 30 L CA 1.788 56.689 54.840 0.102 0.000 0.748 30 L CB -0.506 41.613 42.059 0.100 0.000 0.891 30 L HN 0.152 nan 8.230 nan 0.000 0.431 31 R N -0.574 119.931 120.500 0.007 0.000 2.073 31 R HA -0.048 4.292 4.340 0.001 0.000 0.229 31 R C 2.354 178.633 176.300 -0.035 0.000 1.120 31 R CA 1.068 57.165 56.100 -0.005 0.000 0.967 31 R CB -0.080 30.231 30.300 0.018 0.000 0.862 31 R HN 0.342 nan 8.270 nan 0.000 0.436 32 R N -0.538 119.920 120.500 -0.069 0.000 2.195 32 R HA 0.079 4.420 4.340 0.001 0.000 0.197 32 R C 1.865 178.068 176.300 -0.160 0.000 0.990 32 R CA 0.505 56.554 56.100 -0.085 0.000 1.048 32 R CB 0.216 30.466 30.300 -0.083 0.000 0.997 32 R HN -0.099 nan 8.270 nan 0.000 0.502 33 K N 0.744 120.963 120.400 -0.303 0.000 2.214 33 K HA 0.170 4.491 4.320 0.001 0.000 0.201 33 K C 1.534 177.934 176.600 -0.333 0.000 1.049 33 K CA 0.652 56.684 56.287 -0.425 0.000 0.978 33 K CB 0.345 32.293 32.500 -0.920 0.000 0.842 33 K HN -0.023 nan 8.250 nan 0.000 0.474 34 L N -0.310 120.738 121.223 -0.291 0.000 2.558 34 L HA 0.248 4.588 4.340 0.001 0.000 0.225 34 L C 0.834 177.649 176.870 -0.091 0.000 1.128 34 L CA 0.438 55.187 54.840 -0.151 0.000 0.868 34 L CB -0.071 41.953 42.059 -0.058 0.000 1.006 34 L HN 0.518 nan 8.230 nan 0.000 0.454 35 G N 1.200 109.948 108.800 -0.086 0.000 2.179 35 G HA2 -0.296 3.665 3.960 0.001 0.000 0.257 35 G HA3 -0.296 3.665 3.960 0.001 0.000 0.257 35 G C 0.147 175.026 174.900 -0.035 0.000 1.010 35 G CA -0.020 45.046 45.100 -0.057 0.000 0.736 35 G HN 0.295 nan 8.290 nan 0.000 0.513 36 L N -0.115 121.094 121.223 -0.024 0.000 2.360 36 L HA 0.430 4.771 4.340 0.001 0.000 0.265 36 L C 1.487 178.355 176.870 -0.003 0.000 1.066 36 L CA -0.713 54.121 54.840 -0.010 0.000 0.929 36 L CB 0.877 42.936 42.059 0.000 0.000 1.306 36 L HN 0.100 nan 8.230 nan 0.000 0.434 37 R N 0.961 121.461 120.500 0.000 0.000 2.335 37 R HA 0.075 4.416 4.340 0.001 0.000 0.223 37 R C 1.931 178.235 176.300 0.007 0.000 0.940 37 R CA 0.319 56.427 56.100 0.013 0.000 1.086 37 R CB 0.219 30.537 30.300 0.030 0.000 1.073 37 R HN 0.721 nan 8.270 nan 0.000 0.504 38 G N 0.151 108.948 108.800 -0.006 0.000 2.448 38 G HA2 -0.143 3.818 3.960 0.001 0.000 0.218 38 G HA3 -0.143 3.818 3.960 0.001 0.000 0.218 38 G C 0.462 175.321 174.900 -0.069 0.000 1.135 38 G CA 0.345 45.432 45.100 -0.021 0.000 0.784 38 G HN 0.194 nan 8.290 nan 0.000 0.543 39 T N 2.259 116.781 114.554 -0.053 0.000 2.794 39 T HA 0.447 4.798 4.350 0.001 0.000 0.296 39 T C -0.148 174.495 174.700 -0.095 0.000 0.949 39 T CA -0.151 61.911 62.100 -0.064 0.000 1.101 39 T CB 1.497 70.355 68.868 -0.015 0.000 0.905 39 T HN -0.030 nan 8.240 nan 0.000 0.516 40 K N 2.093 122.391 120.400 -0.169 0.000 2.267 40 K HA 0.518 4.839 4.320 0.001 0.000 0.246 40 K C -0.694 175.881 176.600 -0.042 0.000 0.954 40 K CA -1.157 54.984 56.287 -0.243 0.000 0.824 40 K CB 2.148 34.146 32.500 -0.837 0.000 1.167 40 K HN 0.391 nan 8.250 nan 0.000 0.431 41 L N 0.887 122.166 121.223 0.093 0.000 2.264 41 L HA 0.448 4.789 4.340 0.001 0.000 0.289 41 L C 0.776 177.821 176.870 0.293 0.000 1.044 41 L CA 0.616 55.558 54.840 0.171 0.000 0.807 41 L CB 1.115 43.272 42.059 0.162 0.000 1.192 41 L HN 0.844 nan 8.230 nan 0.000 0.425 42 G N 2.160 111.113 108.800 0.256 0.000 2.728 42 G HA2 0.089 4.050 3.960 0.001 0.000 0.203 42 G HA3 0.089 4.050 3.960 0.001 0.000 0.203 42 G C 0.745 175.771 174.900 0.210 0.000 1.073 42 G CA 0.707 45.980 45.100 0.288 0.000 0.778 42 G HN 0.882 nan 8.290 nan 0.000 0.553 43 C N -3.642 115.795 119.300 0.229 0.000 4.543 43 C HA 0.543 5.004 4.460 0.001 0.000 0.546 43 C C 2.045 177.219 174.990 0.307 0.000 1.292 43 C CA 0.650 59.819 59.018 0.250 0.000 2.519 43 C CB 0.262 28.179 27.740 0.295 0.000 3.583 43 C HN 1.504 nan 8.230 nan 0.000 0.489 44 G N 2.666 111.631 108.800 0.275 0.000 2.168 44 G HA2 -0.281 3.680 3.960 0.001 0.000 0.263 44 G HA3 -0.281 3.680 3.960 0.001 0.000 0.263 44 G C 0.192 175.336 174.900 0.407 0.000 0.977 44 G CA 1.159 46.443 45.100 0.307 0.000 0.659 44 G HN 1.124 nan 8.290 nan 0.000 0.533 45 E N -1.732 118.656 120.200 0.313 0.000 2.876 45 E HA 0.464 4.815 4.350 0.001 0.000 0.208 45 E C 1.413 178.110 176.600 0.162 0.000 0.981 45 E CA 0.165 56.702 56.400 0.228 0.000 1.174 45 E CB 0.361 30.066 29.700 0.007 0.000 1.047 45 E HN 1.457 nan 8.360 nan 0.000 0.477 46 G N 0.564 109.470 108.800 0.177 0.000 2.176 46 G HA2 -0.345 3.616 3.960 0.001 0.000 0.253 46 G HA3 -0.345 3.616 3.960 0.001 0.000 0.253 46 G C 0.950 175.941 174.900 0.152 0.000 0.979 46 G CA 0.087 45.280 45.100 0.154 0.000 0.641 46 G HN 0.544 nan 8.290 nan 0.000 0.530 47 G N -0.114 108.784 108.800 0.163 0.000 2.459 47 G HA2 0.140 4.101 3.960 0.001 0.000 0.213 47 G HA3 0.140 4.101 3.960 0.001 0.000 0.213 47 G C 2.009 177.028 174.900 0.199 0.000 1.155 47 G CA 2.219 47.417 45.100 0.162 0.000 0.811 47 G HN 1.500 nan 8.290 nan 0.000 0.534 48 C N -1.393 118.054 119.300 0.244 0.000 2.551 48 C HA 0.542 5.003 4.460 0.001 0.000 0.277 48 C C 2.383 177.529 174.990 0.261 0.000 1.349 48 C CA 0.571 59.760 59.018 0.285 0.000 1.750 48 C CB -0.253 27.709 27.740 0.370 0.000 2.058 48 C HN 1.155 nan 8.230 nan 0.000 0.518 49 G N 0.808 109.740 108.800 0.221 0.000 2.184 49 G HA2 -0.176 3.785 3.960 0.001 0.000 0.264 49 G HA3 -0.176 3.785 3.960 0.001 0.000 0.264 49 G C 1.218 176.219 174.900 0.168 0.000 0.975 49 G CA 0.772 45.991 45.100 0.198 0.000 0.642 49 G HN 1.468 nan 8.290 nan 0.000 0.536 50 A N -0.205 122.709 122.820 0.158 0.000 2.125 50 A HA 0.103 4.423 4.320 0.001 0.000 0.219 50 A C 2.498 180.094 177.584 0.020 0.000 1.156 50 A CA 2.389 54.469 52.037 0.072 0.000 0.671 50 A CB -0.864 18.175 19.000 0.066 0.000 0.794 50 A HN 1.826 nan 8.150 nan 0.000 0.459 51 C N -2.085 117.255 119.300 0.067 0.000 2.693 51 C HA 0.343 4.804 4.460 0.001 0.000 0.286 51 C C 0.859 175.882 174.990 0.056 0.000 1.277 51 C CA -0.423 58.624 59.018 0.049 0.000 1.705 51 C CB -2.102 25.683 27.740 0.074 0.000 1.879 51 C HN 0.322 nan 8.230 nan 0.000 0.607 52 T N 2.860 117.457 114.554 0.072 0.000 2.928 52 T HA 0.411 4.762 4.350 0.001 0.000 0.305 52 T C 0.289 175.016 174.700 0.045 0.000 1.035 52 T CA 0.751 62.896 62.100 0.075 0.000 1.145 52 T CB 0.740 69.670 68.868 0.104 0.000 0.963 52 T HN 0.878 nan 8.240 nan 0.000 0.545 53 V N 1.358 121.292 119.914 0.034 0.000 3.102 53 V HA 0.750 4.870 4.120 0.001 0.000 0.312 53 V C -0.513 175.577 176.094 -0.006 0.000 1.135 53 V CA -1.464 60.842 62.300 0.009 0.000 1.022 53 V CB 2.259 34.087 31.823 0.007 0.000 1.056 53 V HN 0.869 nan 8.190 nan 0.000 0.436 54 M N 2.233 121.825 119.600 -0.014 0.000 2.423 54 M HA 0.673 5.154 4.480 0.001 0.000 0.335 54 M C -1.588 174.642 176.300 -0.116 0.000 1.177 54 M CA -0.635 54.638 55.300 -0.045 0.000 1.038 54 M CB 1.456 34.084 32.600 0.047 0.000 1.641 54 M HN 0.743 nan 8.290 nan 0.000 0.455 55 L N 2.496 123.522 121.223 -0.329 0.000 2.346 55 L HA 0.613 4.954 4.340 0.001 0.000 0.274 55 L C -0.766 175.879 176.870 -0.374 0.000 1.007 55 L CA -0.617 53.970 54.840 -0.422 0.000 0.818 55 L CB 2.340 43.902 42.059 -0.828 0.000 1.284 55 L HN 0.683 nan 8.230 nan 0.000 0.424 56 S N 1.782 117.466 115.700 -0.026 0.000 2.538 56 S HA 0.696 5.167 4.470 0.001 0.000 0.288 56 S C -1.123 173.645 174.600 0.280 0.000 1.108 56 S CA -0.893 57.407 58.200 0.167 0.000 0.971 56 S CB 2.230 65.707 63.200 0.463 0.000 1.041 56 S HN 0.649 nan 8.310 nan 0.000 0.483 57 K N 0.592 121.082 120.400 0.150 0.000 2.555 57 K HA 0.470 4.791 4.320 0.001 0.000 0.279 57 K C -1.804 174.732 176.600 -0.106 0.000 0.986 57 K CA -1.008 55.399 56.287 0.200 0.000 0.880 57 K CB 0.985 33.647 32.500 0.270 0.000 1.474 57 K HN 0.469 nan 8.250 nan 0.000 0.433 58 Y N 2.062 122.270 120.300 -0.152 0.000 2.480 58 Y HA 0.090 4.641 4.550 0.001 0.000 0.341 58 Y C -0.396 175.437 175.900 -0.111 0.000 1.031 58 Y CA -0.096 57.864 58.100 -0.233 0.000 1.295 58 Y CB 0.763 39.134 38.460 -0.148 0.000 1.162 58 Y HN 0.649 nan 8.280 nan 0.000 0.523 59 D N 6.622 126.658 120.400 -0.607 0.000 2.393 59 D HA 0.061 4.701 4.640 0.001 0.000 0.232 59 D C -0.625 175.323 176.300 -0.587 0.000 1.192 59 D CA -0.502 53.241 54.000 -0.428 0.000 0.882 59 D CB 0.340 40.959 40.800 -0.302 0.000 1.038 59 D HN 0.418 nan 8.370 nan 0.000 0.499 60 R N 4.438 124.778 120.500 -0.266 0.000 2.248 60 R HA 0.199 4.540 4.340 0.001 0.000 0.328 60 R C 0.261 176.511 176.300 -0.084 0.000 1.067 60 R CA -0.399 55.661 56.100 -0.067 0.000 0.924 60 R CB -0.201 30.178 30.300 0.131 0.000 1.013 60 R HN 0.532 nan 8.270 nan 0.000 0.454 61 L N 2.789 123.956 121.223 -0.095 0.000 1.478 61 L HA -0.150 4.191 4.340 0.001 0.000 0.500 61 L C 0.111 176.916 176.870 -0.108 0.000 0.764 61 L CA 1.558 56.349 54.840 -0.081 0.000 2.499 61 L CB -1.434 40.582 42.059 -0.071 0.000 1.102 61 L HN 0.824 nan 8.230 nan 0.000 0.570 62 Q N -1.103 118.595 119.800 -0.170 0.000 2.063 62 Q HA 0.152 4.493 4.340 0.001 0.000 0.234 62 Q C -0.146 175.732 176.000 -0.203 0.000 0.748 62 Q CA 0.586 56.287 55.803 -0.170 0.000 0.915 62 Q CB 1.005 29.632 28.738 -0.185 0.000 1.188 62 Q HN 0.382 nan 8.270 nan 0.000 0.456 63 D N 1.367 121.588 120.400 -0.299 0.000 2.873 63 D HA -0.129 4.512 4.640 0.001 0.000 0.228 63 D C -1.111 175.003 176.300 -0.310 0.000 1.122 63 D CA 1.421 55.267 54.000 -0.256 0.000 0.758 63 D CB -0.737 40.029 40.800 -0.057 0.000 1.094 63 D HN 0.517 nan 8.370 nan 0.000 0.434 64 K N -1.056 118.991 120.400 -0.587 0.000 2.556 64 K HA 0.478 4.798 4.320 0.001 0.000 0.274 64 K C -0.190 176.093 176.600 -0.529 0.000 0.966 64 K CA -1.134 54.915 56.287 -0.396 0.000 0.865 64 K CB 1.175 33.526 32.500 -0.249 0.000 1.444 64 K HN -0.152 nan 8.250 nan 0.000 0.433 65 I N 3.423 123.751 120.570 -0.403 0.000 2.517 65 I HA 0.126 4.297 4.170 0.001 0.000 0.285 65 I C 0.671 176.458 176.117 -0.550 0.000 1.106 65 I CA -0.262 60.691 61.300 -0.578 0.000 1.402 65 I CB -0.603 36.985 38.000 -0.688 0.000 1.399 65 I HN 0.614 nan 8.210 nan 0.000 0.535 66 I N 4.766 125.054 120.570 -0.470 0.000 2.707 66 I HA 0.564 4.735 4.170 0.001 0.000 0.309 66 I C -0.471 175.427 176.117 -0.364 0.000 1.001 66 I CA -0.518 60.581 61.300 -0.334 0.000 1.129 66 I CB 1.944 39.886 38.000 -0.098 0.000 1.308 66 I HN 0.352 nan 8.210 nan 0.000 0.466 67 H N 4.453 123.588 119.070 0.108 0.000 2.667 67 H HA 0.615 5.172 4.556 0.001 0.000 0.353 67 H C -1.308 174.134 175.328 0.191 0.000 1.072 67 H CA -0.431 55.658 56.048 0.069 0.000 1.214 67 H CB 1.942 31.694 29.762 -0.017 0.000 1.600 67 H HN 0.743 nan 8.280 nan 0.000 0.527 68 F N -0.516 119.497 119.950 0.104 0.000 2.686 68 F HA 0.562 5.090 4.527 0.001 0.000 0.311 68 F C -0.391 175.439 175.800 0.050 0.000 1.128 68 F CA -1.211 56.814 58.000 0.042 0.000 0.946 68 F CB 1.143 40.151 39.000 0.013 0.000 1.336 68 F HN 0.374 nan 8.300 nan 0.000 0.457 69 S N 1.286 117.093 115.700 0.178 0.000 2.672 69 S HA 0.954 5.425 4.470 0.001 0.000 0.276 69 S C -0.577 174.119 174.600 0.161 0.000 1.207 69 S CA -0.025 58.225 58.200 0.083 0.000 1.002 69 S CB 1.506 64.743 63.200 0.063 0.000 0.998 69 S HN 1.820 nan 8.310 nan 0.000 0.542 70 A N 1.337 124.216 122.820 0.099 0.000 2.605 70 A HA 0.581 4.901 4.320 0.001 0.000 0.294 70 A C -1.199 176.443 177.584 0.098 0.000 1.062 70 A CA -1.032 51.084 52.037 0.131 0.000 0.682 70 A CB 0.875 19.953 19.000 0.131 0.000 1.278 70 A HN 0.783 nan 8.150 nan 0.000 0.410 71 N N 1.677 120.444 118.700 0.111 0.000 2.399 71 N HA 0.281 5.021 4.740 0.001 0.000 0.259 71 N C 1.258 176.820 175.510 0.086 0.000 1.160 71 N CA 0.626 53.739 53.050 0.105 0.000 0.946 71 N CB 1.634 40.195 38.487 0.123 0.000 1.156 71 N HN 0.797 nan 8.380 nan 0.000 0.489 72 A N 1.886 124.747 122.820 0.068 0.000 2.076 72 A HA -0.197 4.124 4.320 0.001 0.000 0.220 72 A C 2.258 179.878 177.584 0.060 0.000 1.160 72 A CA 1.274 53.342 52.037 0.052 0.000 0.653 72 A CB -0.602 18.426 19.000 0.046 0.000 0.801 72 A HN 0.881 nan 8.150 nan 0.000 0.455 73 C N -2.351 116.998 119.300 0.082 0.000 2.456 73 C HA 0.320 4.781 4.460 0.001 0.000 0.279 73 C C 2.008 177.056 174.990 0.097 0.000 1.427 73 C CA 0.618 59.690 59.018 0.091 0.000 1.778 73 C CB -1.361 26.453 27.740 0.123 0.000 1.842 73 C HN 0.461 nan 8.230 nan 0.000 0.531 74 L N 0.568 121.852 121.223 0.102 0.000 2.672 74 L HA 0.346 4.686 4.340 0.001 0.000 0.236 74 L C 1.610 178.535 176.870 0.091 0.000 1.092 74 L CA 0.258 55.165 54.840 0.112 0.000 0.887 74 L CB -0.250 41.889 42.059 0.133 0.000 1.168 74 L HN 0.223 nan 8.230 nan 0.000 0.502 75 A N 1.858 124.716 122.820 0.064 0.000 2.395 75 A HA 0.411 4.732 4.320 0.001 0.000 0.286 75 A C -2.352 175.212 177.584 -0.034 0.000 1.193 75 A CA -1.091 50.965 52.037 0.031 0.000 0.852 75 A CB -0.527 18.482 19.000 0.014 0.000 1.118 75 A HN -0.086 nan 8.150 nan 0.000 0.524 76 P HA 0.081 nan 4.420 nan 0.000 0.271 76 P C 1.255 178.351 177.300 -0.339 0.000 1.220 76 P CA -0.290 62.704 63.100 -0.178 0.000 0.768 76 P CB 0.484 32.083 31.700 -0.168 0.000 0.848 77 I N 0.213 120.521 120.570 -0.437 0.000 2.335 77 I HA -0.255 3.916 4.170 0.001 0.000 0.251 77 I C 1.137 176.803 176.117 -0.751 0.000 1.129 77 I CA 1.591 62.500 61.300 -0.652 0.000 1.402 77 I CB -1.031 36.524 38.000 -0.742 0.000 1.069 77 I HN 0.164 nan 8.210 nan 0.000 0.424 78 C N 2.044 120.798 119.300 -0.909 0.000 2.449 78 C HA -0.058 4.402 4.460 0.001 0.000 0.283 78 C C 2.850 177.411 174.990 -0.714 0.000 1.453 78 C CA 1.472 59.758 59.018 -1.220 0.000 1.779 78 C CB -1.847 24.652 27.740 -2.068 0.000 1.779 78 C HN 0.735 nan 8.230 nan 0.000 0.546 79 T N -2.355 111.974 114.554 -0.374 0.000 3.100 79 T HA 0.159 4.509 4.350 0.001 0.000 0.253 79 T C 1.024 175.761 174.700 0.062 0.000 1.118 79 T CA 0.661 62.778 62.100 0.028 0.000 1.058 79 T CB -0.265 68.681 68.868 0.130 0.000 0.953 79 T HN 0.502 nan 8.240 nan 0.000 0.515 80 L N 0.560 121.716 121.223 -0.112 0.000 2.700 80 L HA 0.356 4.697 4.340 0.001 0.000 0.234 80 L C 0.639 177.566 176.870 0.095 0.000 1.156 80 L CA -0.620 54.167 54.840 -0.088 0.000 0.946 80 L CB -0.587 41.190 42.059 -0.470 0.000 1.216 80 L HN 0.299 nan 8.230 nan 0.000 0.493 81 H N 1.024 120.187 119.070 0.156 0.000 3.070 81 H HA -0.041 4.516 4.556 0.001 0.000 0.313 81 H C 0.449 176.026 175.328 0.414 0.000 0.997 81 H CA 0.824 57.053 56.048 0.301 0.000 1.438 81 H CB -0.181 29.820 29.762 0.399 0.000 1.455 81 H HN 0.208 nan 8.280 nan 0.000 0.575 82 H N 1.163 120.212 119.070 -0.035 0.000 2.862 82 H HA -0.154 4.403 4.556 0.001 0.000 0.290 82 H C -0.757 174.689 175.328 0.198 0.000 1.211 82 H CA 0.169 56.247 56.048 0.050 0.000 1.140 82 H CB -1.456 28.280 29.762 -0.043 0.000 1.341 82 H HN 0.193 nan 8.280 nan 0.000 0.392 83 V N 0.343 120.470 119.914 0.354 0.000 2.513 83 V HA 0.643 4.764 4.120 0.001 0.000 0.299 83 V C 0.412 176.686 176.094 0.300 0.000 1.035 83 V CA -0.185 62.294 62.300 0.297 0.000 0.889 83 V CB 1.847 33.802 31.823 0.219 0.000 0.988 83 V HN 0.402 nan 8.190 nan 0.000 0.440 84 A N 4.487 127.445 122.820 0.229 0.000 2.260 84 A HA 0.726 5.047 4.320 0.001 0.000 0.308 84 A C -0.467 177.211 177.584 0.157 0.000 1.254 84 A CA -0.398 51.742 52.037 0.171 0.000 0.874 84 A CB 0.676 19.649 19.000 -0.046 0.000 1.153 84 A HN 0.665 nan 8.150 nan 0.000 0.527 85 V N 2.778 122.800 119.914 0.180 0.000 2.481 85 V HA 0.466 4.587 4.120 0.001 0.000 0.286 85 V C 0.351 176.495 176.094 0.082 0.000 1.042 85 V CA -0.165 62.204 62.300 0.115 0.000 0.928 85 V CB 1.561 33.480 31.823 0.159 0.000 0.986 85 V HN 0.892 nan 8.190 nan 0.000 0.462 86 T N 3.533 118.109 114.554 0.037 0.000 2.786 86 T HA 0.551 4.902 4.350 0.001 0.000 0.283 86 T C 0.229 174.904 174.700 -0.041 0.000 0.992 86 T CA -0.481 61.615 62.100 -0.007 0.000 0.954 86 T CB 1.408 70.267 68.868 -0.015 0.000 0.934 86 T HN 0.936 nan 8.240 nan 0.000 0.440 87 T N -0.757 113.765 114.554 -0.052 0.000 2.889 87 T HA 0.444 4.795 4.350 0.001 0.000 0.278 87 T C 1.552 176.182 174.700 -0.117 0.000 0.995 87 T CA -0.600 61.465 62.100 -0.057 0.000 0.966 87 T CB 0.957 69.812 68.868 -0.022 0.000 1.237 87 T HN 0.195 nan 8.240 nan 0.000 0.591 88 V N 1.428 121.285 119.914 -0.094 0.000 2.407 88 V HA -0.129 3.992 4.120 0.001 0.000 0.248 88 V C 2.582 178.611 176.094 -0.107 0.000 1.055 88 V CA 2.439 64.671 62.300 -0.113 0.000 1.049 88 V CB -1.123 30.664 31.823 -0.059 0.000 0.662 88 V HN 0.932 nan 8.190 nan 0.000 0.455 89 E N 0.476 120.634 120.200 -0.071 0.000 2.338 89 E HA -0.072 4.279 4.350 0.001 0.000 0.197 89 E C 2.047 178.604 176.600 -0.071 0.000 1.007 89 E CA 1.281 57.647 56.400 -0.057 0.000 0.849 89 E CB -0.983 28.698 29.700 -0.032 0.000 0.774 89 E HN 0.623 nan 8.360 nan 0.000 0.506 90 G N 1.931 110.670 108.800 -0.103 0.000 2.712 90 G HA2 0.028 3.989 3.960 0.001 0.000 0.212 90 G HA3 0.028 3.989 3.960 0.001 0.000 0.212 90 G C 1.623 176.429 174.900 -0.157 0.000 1.142 90 G CA 0.546 45.583 45.100 -0.105 0.000 0.789 90 G HN 0.467 nan 8.290 nan 0.000 0.535 91 I N -3.557 116.872 120.570 -0.235 0.000 4.035 91 I HA 0.579 4.749 4.170 0.001 0.000 0.321 91 I C 0.690 176.771 176.117 -0.060 0.000 1.289 91 I CA 0.293 61.418 61.300 -0.291 0.000 1.236 91 I CB 0.838 38.368 38.000 -0.783 0.000 1.076 91 I HN 0.071 nan 8.210 nan 0.000 0.418 92 G N 0.832 109.610 108.800 -0.036 0.000 2.316 92 G HA2 0.434 4.395 3.960 0.001 0.000 0.296 92 G HA3 0.434 4.395 3.960 0.001 0.000 0.296 92 G C -1.329 173.576 174.900 0.008 0.000 1.399 92 G CA 0.036 45.151 45.100 0.025 0.000 0.833 92 G HN 0.606 nan 8.290 nan 0.000 0.565 93 S N -2.316 113.397 115.700 0.021 0.000 2.595 93 S HA 0.635 5.106 4.470 0.001 0.000 0.270 93 S C 0.954 175.567 174.600 0.022 0.000 1.145 93 S CA 0.970 59.179 58.200 0.016 0.000 0.825 93 S CB 1.059 64.262 63.200 0.005 0.000 1.107 93 S HN 2.215 nan 8.310 nan 0.000 0.461 94 T N -0.652 113.915 114.554 0.022 0.000 3.035 94 T HA 0.100 4.451 4.350 0.001 0.000 0.268 94 T C 1.165 175.874 174.700 0.016 0.000 1.109 94 T CA 0.861 62.975 62.100 0.023 0.000 1.119 94 T CB -0.521 68.364 68.868 0.029 0.000 0.900 94 T HN 0.663 nan 8.240 nan 0.000 0.503 95 K N 0.994 121.399 120.400 0.009 0.000 2.305 95 K HA 0.051 4.371 4.320 0.001 0.000 0.199 95 K C 2.329 178.932 176.600 0.005 0.000 1.047 95 K CA 1.412 57.701 56.287 0.003 0.000 0.976 95 K CB 0.047 32.545 32.500 -0.003 0.000 0.765 95 K HN 0.667 nan 8.250 nan 0.000 0.474 96 T N -1.585 112.974 114.554 0.009 0.000 3.556 96 T HA 0.152 4.503 4.350 0.001 0.000 0.204 96 T C 0.265 174.976 174.700 0.018 0.000 0.896 96 T CA -0.480 61.627 62.100 0.012 0.000 1.380 96 T CB 0.151 69.026 68.868 0.012 0.000 1.584 96 T HN 0.072 nan 8.240 nan 0.000 0.411 97 R N -0.126 120.389 120.500 0.024 0.000 2.604 97 R HA 0.558 4.899 4.340 0.001 0.000 0.270 97 R C -1.615 174.709 176.300 0.040 0.000 1.052 97 R CA -0.804 55.313 56.100 0.029 0.000 0.902 97 R CB 1.373 31.688 30.300 0.026 0.000 1.233 97 R HN 0.422 nan 8.270 nan 0.000 0.455 98 L N 3.815 125.065 121.223 0.044 0.000 2.426 98 L HA 0.195 4.535 4.340 0.001 0.000 0.271 98 L C 0.932 177.855 176.870 0.088 0.000 1.169 98 L CA -0.339 54.541 54.840 0.065 0.000 0.836 98 L CB 0.496 42.589 42.059 0.056 0.000 1.112 98 L HN 0.594 nan 8.230 nan 0.000 0.465 99 H N 4.572 123.660 119.070 0.029 0.000 2.771 99 H HA 0.029 4.586 4.556 0.001 0.000 0.364 99 H C -1.785 173.601 175.328 0.095 0.000 1.133 99 H CA -1.133 54.950 56.048 0.060 0.000 1.423 99 H CB 1.646 31.433 29.762 0.042 0.000 1.425 99 H HN 0.342 nan 8.280 nan 0.000 0.606 100 P HA -0.197 nan 4.420 nan 0.000 0.216 100 P C 1.791 179.316 177.300 0.375 0.000 1.153 100 P CA 1.128 64.269 63.100 0.070 0.000 0.858 100 P CB 0.195 31.960 31.700 0.109 0.000 0.789 101 V N -0.398 119.899 119.914 0.639 0.000 2.282 101 V HA -0.316 3.805 4.120 0.001 0.000 0.249 101 V C 2.464 178.807 176.094 0.414 0.000 1.057 101 V CA 2.020 64.619 62.300 0.499 0.000 1.032 101 V CB -1.328 30.632 31.823 0.228 0.000 0.645 101 V HN 0.212 nan 8.190 nan 0.000 0.447 102 Q N -0.477 119.496 119.800 0.288 0.000 2.083 102 Q HA -0.218 4.122 4.340 0.001 0.000 0.198 102 Q C 2.380 178.431 176.000 0.086 0.000 0.969 102 Q CA 1.667 57.573 55.803 0.171 0.000 0.838 102 Q CB -0.225 28.586 28.738 0.121 0.000 0.900 102 Q HN 0.767 nan 8.270 nan 0.000 0.436 103 E N 1.219 121.448 120.200 0.049 0.000 2.085 103 E HA -0.231 4.120 4.350 0.001 0.000 0.194 103 E C 1.952 178.421 176.600 -0.219 0.000 0.994 103 E CA 1.008 57.373 56.400 -0.058 0.000 0.801 103 E CB 0.123 29.785 29.700 -0.064 0.000 0.743 103 E HN 0.238 nan 8.360 nan 0.000 0.453 104 R N 0.184 120.497 120.500 -0.311 0.000 2.073 104 R HA -0.026 4.315 4.340 0.001 0.000 0.229 104 R C 2.637 178.713 176.300 -0.374 0.000 1.120 104 R CA 1.222 56.932 56.100 -0.651 0.000 0.967 104 R CB -0.384 29.502 30.300 -0.691 0.000 0.862 104 R HN 0.312 nan 8.270 nan 0.000 0.436 105 I N 0.761 121.251 120.570 -0.133 0.000 2.286 105 I HA -0.247 3.923 4.170 0.001 0.000 0.248 105 I C 2.212 178.196 176.117 -0.222 0.000 1.115 105 I CA 1.207 62.346 61.300 -0.268 0.000 1.392 105 I CB -0.058 37.861 38.000 -0.135 0.000 1.065 105 I HN 0.159 nan 8.210 nan 0.000 0.418 106 A N 0.549 123.283 122.820 -0.142 0.000 1.855 106 A HA -0.208 4.113 4.320 0.001 0.000 0.215 106 A C 2.296 179.760 177.584 -0.201 0.000 1.191 106 A CA 1.636 53.603 52.037 -0.117 0.000 0.613 106 A CB -0.472 18.502 19.000 -0.043 0.000 0.829 106 A HN 0.377 nan 8.150 nan 0.000 0.442 107 K N 0.378 120.650 120.400 -0.212 0.000 2.217 107 K HA -0.054 4.267 4.320 0.001 0.000 0.202 107 K C 1.815 178.124 176.600 -0.485 0.000 1.051 107 K CA 1.255 57.423 56.287 -0.199 0.000 0.952 107 K CB -0.072 32.492 32.500 0.108 0.000 0.736 107 K HN 0.602 nan 8.250 nan 0.000 0.453 108 S N -0.011 115.322 115.700 -0.612 0.000 2.671 108 S HA -0.022 4.449 4.470 0.001 0.000 0.220 108 S C -0.076 174.233 174.600 -0.484 0.000 0.951 108 S CA -0.297 57.327 58.200 -0.960 0.000 0.932 108 S CB -0.368 62.093 63.200 -1.231 0.000 0.777 108 S HN 0.308 nan 8.310 nan 0.000 0.508 109 H N -0.862 118.125 119.070 -0.138 0.000 2.862 109 H HA -0.142 4.414 4.556 0.001 0.000 0.290 109 H C 0.928 176.198 175.328 -0.097 0.000 1.211 109 H CA 0.645 56.656 56.048 -0.062 0.000 1.140 109 H CB -1.910 27.845 29.762 -0.011 0.000 1.341 109 H HN 0.625 nan 8.280 nan 0.000 0.392 110 G N -0.064 108.655 108.800 -0.134 0.000 3.181 110 G HA2 0.199 4.159 3.960 0.001 0.000 0.219 110 G HA3 0.199 4.159 3.960 0.001 0.000 0.219 110 G C 0.399 175.236 174.900 -0.105 0.000 1.182 110 G CA 0.693 45.707 45.100 -0.143 0.000 0.791 110 G HN 0.333 nan 8.290 nan 0.000 0.537 111 S N -0.923 114.735 115.700 -0.070 0.000 2.561 111 S HA 0.512 4.983 4.470 0.001 0.000 0.303 111 S C 0.371 174.920 174.600 -0.085 0.000 1.110 111 S CA -0.630 57.532 58.200 -0.064 0.000 1.034 111 S CB 1.885 65.047 63.200 -0.062 0.000 1.010 111 S HN 0.343 nan 8.310 nan 0.000 0.482 112 Q N 1.666 121.423 119.800 -0.072 0.000 2.558 112 Q HA 0.093 4.434 4.340 0.001 0.000 0.186 112 Q C 2.285 178.196 176.000 -0.147 0.000 0.894 112 Q CA 0.834 56.588 55.803 -0.082 0.000 0.830 112 Q CB -0.482 28.272 28.738 0.027 0.000 1.107 112 Q HN 0.972 nan 8.270 nan 0.000 0.620 113 C N -0.291 119.011 119.300 0.003 0.000 2.432 113 C HA 0.268 4.728 4.460 0.001 0.000 0.280 113 C C 1.743 176.842 174.990 0.181 0.000 1.353 113 C CA 0.540 59.604 59.018 0.077 0.000 1.766 113 C CB -1.152 26.650 27.740 0.104 0.000 1.924 113 C HN 0.888 nan 8.230 nan 0.000 0.509 114 G N -0.764 108.112 108.800 0.126 0.000 2.176 114 G HA2 -0.343 3.617 3.960 0.001 0.000 0.253 114 G HA3 -0.343 3.617 3.960 0.001 0.000 0.253 114 G C 0.398 175.413 174.900 0.193 0.000 0.979 114 G CA 0.483 45.683 45.100 0.166 0.000 0.641 114 G HN 0.582 nan 8.290 nan 0.000 0.530 115 F N 1.384 121.306 119.950 -0.047 0.000 2.259 115 F HA 0.030 4.558 4.527 0.001 0.000 0.298 115 F C 2.805 178.560 175.800 -0.075 0.000 1.088 115 F CA 2.158 60.002 58.000 -0.259 0.000 1.358 115 F CB -0.175 38.594 39.000 -0.385 0.000 1.040 115 F HN 0.566 nan 8.300 nan 0.000 0.505 116 C N -1.846 117.518 119.300 0.106 0.000 2.562 116 C HA 0.118 4.579 4.460 0.001 0.000 0.266 116 C C 2.371 177.407 174.990 0.076 0.000 1.382 116 C CA 0.603 59.682 59.018 0.101 0.000 1.742 116 C CB -1.663 26.174 27.740 0.162 0.000 1.812 116 C HN 0.354 nan 8.230 nan 0.000 0.559 117 T N 2.870 117.454 114.554 0.049 0.000 2.737 117 T HA -0.027 4.324 4.350 0.001 0.000 0.265 117 T C -0.326 174.421 174.700 0.079 0.000 1.038 117 T CA 2.172 64.315 62.100 0.072 0.000 1.144 117 T CB -1.222 67.680 68.868 0.057 0.000 0.866 117 T HN 0.409 nan 8.240 nan 0.000 0.434 118 P HA -0.039 nan 4.420 nan 0.000 0.215 118 P C 1.716 179.045 177.300 0.048 0.000 1.153 118 P CA 1.131 64.242 63.100 0.018 0.000 0.853 118 P CB -0.442 31.233 31.700 -0.041 0.000 0.788 119 G N -0.693 108.139 108.800 0.053 0.000 2.408 119 G HA2 -0.193 3.768 3.960 0.001 0.000 0.217 119 G HA3 -0.193 3.768 3.960 0.001 0.000 0.217 119 G C 1.520 176.536 174.900 0.193 0.000 1.150 119 G CA 0.358 45.520 45.100 0.103 0.000 0.776 119 G HN 0.230 nan 8.290 nan 0.000 0.542 120 I N 0.254 120.968 120.570 0.239 0.000 2.315 120 I HA -0.117 4.054 4.170 0.001 0.000 0.248 120 I C 2.741 179.113 176.117 0.424 0.000 1.117 120 I CA 0.250 61.773 61.300 0.372 0.000 1.404 120 I CB -0.053 38.127 38.000 0.301 0.000 1.071 120 I HN 0.010 nan 8.210 nan 0.000 0.419 121 V N 0.658 120.754 119.914 0.302 0.000 2.282 121 V HA -0.329 3.792 4.120 0.001 0.000 0.249 121 V C 2.511 178.692 176.094 0.145 0.000 1.057 121 V CA 1.708 64.155 62.300 0.245 0.000 1.032 121 V CB -0.451 31.462 31.823 0.150 0.000 0.645 121 V HN 0.376 nan 8.190 nan 0.000 0.447 122 M N -0.787 118.881 119.600 0.113 0.000 2.175 122 M HA -0.082 4.398 4.480 0.001 0.000 0.264 122 M C 2.396 178.755 176.300 0.099 0.000 1.063 122 M CA 1.441 56.790 55.300 0.082 0.000 1.119 122 M CB -1.484 31.141 32.600 0.040 0.000 1.377 122 M HN 0.326 nan 8.290 nan 0.000 0.415 123 S N 0.710 116.494 115.700 0.140 0.000 2.368 123 S HA -0.140 4.331 4.470 0.001 0.000 0.225 123 S C 1.868 176.404 174.600 -0.107 0.000 1.030 123 S CA 1.397 59.626 58.200 0.048 0.000 0.999 123 S CB -0.239 63.048 63.200 0.145 0.000 0.844 123 S HN 0.386 nan 8.310 nan 0.000 0.459 124 M N 0.385 119.996 119.600 0.018 0.000 2.156 124 M HA 0.000 4.481 4.480 0.001 0.000 0.264 124 M C 1.736 177.847 176.300 -0.315 0.000 1.067 124 M CA 1.383 56.524 55.300 -0.264 0.000 1.131 124 M CB -0.816 31.472 32.600 -0.520 0.000 1.368 124 M HN 0.361 nan 8.290 nan 0.000 0.416 125 Y N 0.403 120.518 120.300 -0.307 0.000 2.114 125 Y HA -0.277 4.274 4.550 0.001 0.000 0.282 125 Y C 2.049 177.782 175.900 -0.278 0.000 1.165 125 Y CA 2.600 60.501 58.100 -0.332 0.000 1.148 125 Y CB -0.842 37.422 38.460 -0.326 0.000 0.972 125 Y HN 0.298 nan 8.280 nan 0.000 0.504 126 T N 1.072 115.524 114.554 -0.170 0.000 2.746 126 T HA -0.210 4.140 4.350 0.001 0.000 0.267 126 T C 1.791 176.332 174.700 -0.266 0.000 1.039 126 T CA 1.450 63.432 62.100 -0.197 0.000 1.142 126 T CB -0.703 68.126 68.868 -0.066 0.000 0.866 126 T HN 0.334 nan 8.240 nan 0.000 0.444 127 L N 1.134 122.187 121.223 -0.283 0.000 2.012 127 L HA -0.021 4.320 4.340 0.001 0.000 0.210 127 L C 2.126 178.812 176.870 -0.306 0.000 1.073 127 L CA 1.691 56.362 54.840 -0.282 0.000 0.748 127 L CB -0.800 41.058 42.059 -0.335 0.000 0.891 127 L HN 0.261 nan 8.230 nan 0.000 0.431 128 L N -0.869 120.105 121.223 -0.414 0.000 2.141 128 L HA -0.137 4.204 4.340 0.001 0.000 0.209 128 L C 2.631 179.271 176.870 -0.384 0.000 1.094 128 L CA 0.631 55.220 54.840 -0.419 0.000 0.763 128 L CB -0.622 41.118 42.059 -0.531 0.000 0.908 128 L HN 0.233 nan 8.230 nan 0.000 0.437 129 R N 0.011 120.211 120.500 -0.500 0.000 2.189 129 R HA -0.043 4.298 4.340 0.001 0.000 0.223 129 R C 1.627 177.799 176.300 -0.213 0.000 1.092 129 R CA 0.753 56.585 56.100 -0.446 0.000 0.989 129 R CB -0.686 29.206 30.300 -0.679 0.000 0.876 129 R HN 0.527 nan 8.270 nan 0.000 0.457 130 N N 0.220 118.822 118.700 -0.165 0.000 2.387 130 N HA -0.067 4.673 4.740 0.001 0.000 0.176 130 N C 0.034 175.493 175.510 -0.086 0.000 1.022 130 N CA 0.438 53.444 53.050 -0.073 0.000 0.883 130 N CB 0.382 38.832 38.487 -0.061 0.000 1.019 130 N HN 0.033 nan 8.380 nan 0.000 0.435 131 Q N 0.702 120.428 119.800 -0.123 0.000 2.786 131 Q HA 0.266 4.607 4.340 0.001 0.000 0.240 131 Q C -2.345 173.585 176.000 -0.116 0.000 0.928 131 Q CA -1.641 54.103 55.803 -0.098 0.000 0.721 131 Q CB 1.802 30.488 28.738 -0.087 0.000 1.318 131 Q HN -0.060 nan 8.270 nan 0.000 0.474 132 P HA -0.129 nan 4.420 nan 0.000 0.222 132 P C -0.612 176.671 177.300 -0.027 0.000 1.147 132 P CA 1.027 64.078 63.100 -0.082 0.000 0.790 132 P CB 0.500 32.172 31.700 -0.047 0.000 0.780 133 E N 0.899 121.092 120.200 -0.012 0.000 2.916 133 E HA 0.255 4.606 4.350 0.001 0.000 0.217 133 E C -2.324 174.287 176.600 0.019 0.000 1.100 133 E CA -1.937 54.481 56.400 0.029 0.000 0.891 133 E CB 1.107 30.828 29.700 0.035 0.000 1.311 133 E HN 0.346 nan 8.360 nan 0.000 0.421 134 P HA 0.031 nan 4.420 nan 0.000 0.276 134 P C 0.182 177.505 177.300 0.038 0.000 1.252 134 P CA -0.289 62.811 63.100 -0.000 0.000 0.802 134 P CB 0.852 32.530 31.700 -0.037 0.000 1.035 135 T N -2.373 112.196 114.554 0.026 0.000 2.828 135 T HA 0.119 4.470 4.350 0.001 0.000 0.290 135 T C 1.545 176.285 174.700 0.066 0.000 1.019 135 T CA -0.628 61.499 62.100 0.045 0.000 1.031 135 T CB -0.079 68.806 68.868 0.030 0.000 1.001 135 T HN 0.096 nan 8.240 nan 0.000 0.531 136 V N 1.107 121.073 119.914 0.088 0.000 2.324 136 V HA -0.188 3.932 4.120 0.001 0.000 0.250 136 V C 2.817 178.973 176.094 0.104 0.000 1.060 136 V CA 2.387 64.758 62.300 0.117 0.000 1.042 136 V CB -1.029 30.865 31.823 0.118 0.000 0.650 136 V HN 1.048 nan 8.190 nan 0.000 0.450 137 E N -0.232 120.011 120.200 0.072 0.000 2.072 137 E HA -0.230 4.121 4.350 0.001 0.000 0.191 137 E C 2.255 178.869 176.600 0.024 0.000 0.985 137 E CA 1.268 57.704 56.400 0.060 0.000 0.801 137 E CB -0.036 29.690 29.700 0.044 0.000 0.750 137 E HN 0.711 nan 8.360 nan 0.000 0.452 138 E N 0.335 120.534 120.200 -0.001 0.000 2.118 138 E HA -0.199 4.152 4.350 0.001 0.000 0.195 138 E C 2.159 178.705 176.600 -0.090 0.000 0.992 138 E CA 1.074 57.441 56.400 -0.055 0.000 0.804 138 E CB -0.064 29.599 29.700 -0.061 0.000 0.741 138 E HN 0.378 nan 8.360 nan 0.000 0.458 139 I N 0.954 121.514 120.570 -0.016 0.000 2.202 139 I HA -0.262 3.909 4.170 0.001 0.000 0.242 139 I C 2.680 178.827 176.117 0.050 0.000 1.091 139 I CA 1.210 62.521 61.300 0.019 0.000 1.368 139 I CB -0.308 37.807 38.000 0.192 0.000 1.058 139 I HN 0.149 nan 8.210 nan 0.000 0.410 140 E N 1.204 121.478 120.200 0.122 0.000 2.085 140 E HA -0.272 4.079 4.350 0.001 0.000 0.194 140 E C 1.458 178.069 176.600 0.019 0.000 0.994 140 E CA 1.619 58.114 56.400 0.158 0.000 0.801 140 E CB 0.077 29.889 29.700 0.188 0.000 0.743 140 E HN 0.383 nan 8.360 nan 0.000 0.453 141 D N -0.152 120.210 120.400 -0.063 0.000 2.348 141 D HA -0.046 4.594 4.640 0.001 0.000 0.216 141 D C 1.508 177.671 176.300 -0.228 0.000 0.970 141 D CA 0.836 54.770 54.000 -0.110 0.000 0.889 141 D CB -0.015 40.719 40.800 -0.110 0.000 0.912 141 D HN 0.295 nan 8.370 nan 0.000 0.524 142 A N -0.315 122.233 122.820 -0.454 0.000 2.121 142 A HA -0.079 4.242 4.320 0.001 0.000 0.218 142 A C 1.139 178.246 177.584 -0.794 0.000 1.154 142 A CA 0.658 52.251 52.037 -0.741 0.000 0.679 142 A CB -0.481 17.824 19.000 -1.158 0.000 0.795 142 A HN 0.214 nan 8.150 nan 0.000 0.458 143 F N -1.430 118.386 119.950 -0.223 0.000 2.764 143 F HA 0.237 4.764 4.527 0.001 0.000 0.310 143 F C 1.609 177.353 175.800 -0.093 0.000 1.124 143 F CA -0.194 57.629 58.000 -0.295 0.000 1.252 143 F CB 0.128 38.501 39.000 -1.045 0.000 1.010 143 F HN 0.209 nan 8.300 nan 0.000 0.518 144 Q N 1.121 120.969 119.800 0.079 0.000 2.297 144 Q HA -0.080 4.261 4.340 0.001 0.000 0.208 144 Q C 1.778 177.877 176.000 0.166 0.000 0.981 144 Q CA 1.453 57.335 55.803 0.131 0.000 0.876 144 Q CB -0.074 28.719 28.738 0.091 0.000 0.921 144 Q HN 0.515 nan 8.270 nan 0.000 0.446 145 G N -0.073 108.828 108.800 0.169 0.000 3.805 145 G HA2 0.188 4.149 3.960 0.001 0.000 0.290 145 G HA3 0.188 4.149 3.960 0.001 0.000 0.290 145 G C -0.936 174.114 174.900 0.250 0.000 1.077 145 G CA -0.467 44.745 45.100 0.188 0.000 0.852 145 G HN 0.151 nan 8.290 nan 0.000 0.531 146 N N -0.022 118.889 118.700 0.351 0.000 2.284 146 N HA 0.661 5.402 4.740 0.001 0.000 0.300 146 N C -0.931 174.898 175.510 0.532 0.000 1.047 146 N CA -0.477 52.839 53.050 0.443 0.000 0.821 146 N CB 2.576 41.391 38.487 0.547 0.000 1.337 146 N HN -0.045 nan 8.380 nan 0.000 0.482 147 L N 0.848 122.322 121.223 0.418 0.000 2.342 147 L HA 0.721 5.062 4.340 0.001 0.000 0.271 147 L C -0.819 176.227 176.870 0.293 0.000 1.008 147 L CA -1.006 54.063 54.840 0.380 0.000 0.818 147 L CB 1.844 44.055 42.059 0.252 0.000 1.296 147 L HN 0.555 nan 8.230 nan 0.000 0.427 148 C N 2.082 121.450 119.300 0.114 0.000 2.535 148 C HA 0.507 4.968 4.460 0.001 0.000 0.319 148 C C 0.830 175.663 174.990 -0.261 0.000 1.171 148 C CA -0.538 58.394 59.018 -0.145 0.000 1.394 148 C CB 1.780 29.274 27.740 -0.409 0.000 1.990 148 C HN 0.984 nan 8.230 nan 0.000 0.466 149 R N 2.487 122.956 120.500 -0.052 0.000 2.265 149 R HA 0.277 4.618 4.340 0.001 0.000 0.194 149 R C 1.338 177.589 176.300 -0.082 0.000 0.931 149 R CA 1.578 57.633 56.100 -0.075 0.000 1.032 149 R CB -0.631 29.701 30.300 0.055 0.000 0.980 149 R HN 0.869 nan 8.270 nan 0.000 0.497 150 C N -1.535 117.786 119.300 0.034 0.000 2.513 150 C HA 0.171 4.632 4.460 0.001 0.000 0.292 150 C C 2.243 177.239 174.990 0.010 0.000 1.359 150 C CA 0.802 59.918 59.018 0.163 0.000 1.778 150 C CB -0.015 27.842 27.740 0.194 0.000 2.180 150 C HN 0.638 nan 8.230 nan 0.000 0.509 151 T N -2.119 112.351 114.554 -0.139 0.000 3.054 151 T HA 0.299 4.650 4.350 0.001 0.000 0.259 151 T C 1.647 176.286 174.700 -0.102 0.000 1.092 151 T CA 1.311 63.341 62.100 -0.117 0.000 1.121 151 T CB -0.236 68.532 68.868 -0.166 0.000 0.912 151 T HN 0.927 nan 8.240 nan 0.000 0.489 152 G N 0.686 109.364 108.800 -0.203 0.000 2.155 152 G HA2 -0.368 3.593 3.960 0.001 0.000 0.257 152 G HA3 -0.368 3.593 3.960 0.001 0.000 0.257 152 G C 0.584 175.549 174.900 0.107 0.000 0.983 152 G CA 0.560 45.664 45.100 0.005 0.000 0.676 152 G HN 0.646 nan 8.290 nan 0.000 0.528 153 Y N -2.541 117.700 120.300 -0.098 0.000 3.035 153 Y HA -0.410 4.141 4.550 0.001 0.000 0.474 153 Y C 2.373 178.265 175.900 -0.013 0.000 1.222 153 Y CA 2.670 60.628 58.100 -0.237 0.000 2.575 153 Y CB -1.489 36.752 38.460 -0.365 0.000 0.874 153 Y HN 0.468 nan 8.280 nan 0.000 0.516 154 R N 1.383 122.050 120.500 0.279 0.000 2.162 154 R HA -0.217 4.124 4.340 0.001 0.000 0.245 154 R C -0.972 175.424 176.300 0.160 0.000 1.129 154 R CA 2.862 59.111 56.100 0.248 0.000 0.940 154 R CB -1.470 28.962 30.300 0.220 0.000 0.875 154 R HN 0.417 nan 8.270 nan 0.000 0.437 155 P HA -0.125 nan 4.420 nan 0.000 0.218 155 P C 1.714 178.977 177.300 -0.062 0.000 1.149 155 P CA 1.361 64.493 63.100 0.052 0.000 0.817 155 P CB -0.193 31.527 31.700 0.033 0.000 0.785 156 I N -0.467 120.053 120.570 -0.084 0.000 2.142 156 I HA -0.223 3.948 4.170 0.001 0.000 0.240 156 I C 2.750 178.773 176.117 -0.157 0.000 1.078 156 I CA 1.286 62.427 61.300 -0.266 0.000 1.343 156 I CB -0.746 37.192 38.000 -0.104 0.000 1.046 156 I HN -0.165 nan 8.210 nan 0.000 0.405 157 L N 0.025 121.349 121.223 0.169 0.000 2.046 157 L HA -0.252 4.088 4.340 0.001 0.000 0.208 157 L C 2.697 179.733 176.870 0.277 0.000 1.077 157 L CA 1.496 56.521 54.840 0.309 0.000 0.747 157 L CB -0.572 41.712 42.059 0.376 0.000 0.896 157 L HN 0.371 nan 8.230 nan 0.000 0.432 158 Q N -0.029 119.908 119.800 0.228 0.000 2.079 158 Q HA -0.141 4.199 4.340 0.001 0.000 0.200 158 Q C 2.190 178.384 176.000 0.323 0.000 0.974 158 Q CA 1.583 57.559 55.803 0.288 0.000 0.840 158 Q CB -0.216 28.713 28.738 0.318 0.000 0.898 158 Q HN 0.477 nan 8.270 nan 0.000 0.430 159 G N 0.068 108.934 108.800 0.110 0.000 2.469 159 G HA2 -0.247 3.713 3.960 0.001 0.000 0.219 159 G HA3 -0.247 3.713 3.960 0.001 0.000 0.219 159 G C 0.970 175.999 174.900 0.215 0.000 1.150 159 G CA 0.724 45.799 45.100 -0.041 0.000 0.763 159 G HN 0.346 nan 8.290 nan 0.000 0.561 160 F N 0.378 120.451 119.950 0.205 0.000 2.512 160 F HA 0.257 4.784 4.527 0.001 0.000 0.296 160 F C 2.525 178.547 175.800 0.370 0.000 1.110 160 F CA -0.008 58.207 58.000 0.358 0.000 1.446 160 F CB -0.480 38.781 39.000 0.435 0.000 1.092 160 F HN 0.068 nan 8.300 nan 0.000 0.554 161 R N 0.453 121.237 120.500 0.474 0.000 2.200 161 R HA -0.154 4.186 4.340 0.001 0.000 0.234 161 R C 2.055 178.529 176.300 0.290 0.000 1.127 161 R CA 1.709 58.020 56.100 0.352 0.000 0.989 161 R CB -0.351 30.124 30.300 0.292 0.000 0.869 161 R HN 0.369 nan 8.270 nan 0.000 0.459 162 T N -2.490 112.225 114.554 0.268 0.000 3.025 162 T HA -0.120 4.231 4.350 0.001 0.000 0.270 162 T C 1.399 176.145 174.700 0.078 0.000 1.126 162 T CA 0.909 63.111 62.100 0.171 0.000 1.105 162 T CB -0.354 68.650 68.868 0.227 0.000 0.884 162 T HN 0.210 nan 8.240 nan 0.000 0.522 163 F N 1.906 121.981 119.950 0.208 0.000 2.558 163 F HA 0.452 4.980 4.527 0.001 0.000 0.298 163 F C 1.938 177.796 175.800 0.097 0.000 1.119 163 F CA -0.149 57.928 58.000 0.129 0.000 1.451 163 F CB -0.252 38.794 39.000 0.076 0.000 1.091 163 F HN 0.286 nan 8.300 nan 0.000 0.563 164 A N 0.898 123.879 122.820 0.268 0.000 2.280 164 A HA 0.575 4.896 4.320 0.001 0.000 0.268 164 A C 0.302 177.965 177.584 0.132 0.000 1.111 164 A CA 0.105 52.247 52.037 0.175 0.000 0.814 164 A CB 0.453 19.546 19.000 0.154 0.000 1.093 164 A HN 0.393 nan 8.150 nan 0.000 0.498 193 P HA 0.377 nan 4.420 nan 0.000 0.272 193 P C -0.687 176.467 177.300 -0.243 0.000 1.248 193 P CA -0.353 62.527 63.100 -0.367 0.000 0.799 193 P CB 0.250 31.723 31.700 -0.379 0.000 0.997 194 S N -0.520 115.200 115.700 0.033 0.000 2.537 194 S HA 0.288 4.758 4.470 0.001 0.000 0.301 194 S C 1.451 176.233 174.600 0.304 0.000 1.092 194 S CA -0.706 57.559 58.200 0.108 0.000 1.048 194 S CB 1.056 64.212 63.200 -0.074 0.000 1.053 194 S HN 0.338 nan 8.310 nan 0.000 0.501 195 L N 1.577 122.947 121.223 0.245 0.000 2.201 195 L HA 0.069 4.410 4.340 0.001 0.000 0.212 195 L C 0.154 177.295 176.870 0.452 0.000 1.105 195 L CA 1.195 56.163 54.840 0.213 0.000 0.775 195 L CB -0.280 41.884 42.059 0.174 0.000 0.913 195 L HN 0.692 nan 8.230 nan 0.000 0.440 196 F N -3.713 116.343 119.950 0.177 0.000 2.741 196 F HA 0.488 5.016 4.527 0.001 0.000 0.313 196 F C -0.830 174.950 175.800 -0.034 0.000 1.153 196 F CA -1.541 56.518 58.000 0.098 0.000 0.931 196 F CB 1.022 40.084 39.000 0.104 0.000 1.335 196 F HN -0.367 nan 8.300 nan 0.000 0.460 197 N N 1.733 120.444 118.700 0.018 0.000 2.626 197 N HA 0.484 5.224 4.740 0.001 0.000 0.249 197 N C -2.319 172.888 175.510 -0.504 0.000 1.021 197 N CA -2.783 50.146 53.050 -0.202 0.000 0.886 197 N CB 1.605 40.026 38.487 -0.111 0.000 1.149 197 N HN 0.283 nan 8.380 nan 0.000 0.517 198 P HA -0.062 nan 4.420 nan 0.000 0.225 198 P C 0.493 177.439 177.300 -0.591 0.000 1.148 198 P CA 1.010 63.494 63.100 -1.025 0.000 0.779 198 P CB 0.458 31.956 31.700 -0.337 0.000 0.780 199 E N 0.263 120.273 120.200 -0.318 0.000 2.204 199 E HA -0.179 4.172 4.350 0.001 0.000 0.195 199 E C 1.420 177.963 176.600 -0.095 0.000 0.990 199 E CA 0.831 57.141 56.400 -0.149 0.000 0.821 199 E CB -0.276 29.366 29.700 -0.097 0.000 0.750 199 E HN 0.578 nan 8.360 nan 0.000 0.477 200 E N 0.251 120.373 120.200 -0.129 0.000 2.502 200 E HA -0.003 4.348 4.350 0.001 0.000 0.194 200 E C -0.000 176.712 176.600 0.188 0.000 1.062 200 E CA -0.044 56.367 56.400 0.019 0.000 0.867 200 E CB -0.084 29.644 29.700 0.046 0.000 0.888 200 E HN 0.195 nan 8.360 nan 0.000 0.510 201 F N 1.997 121.960 119.950 0.021 0.000 2.467 201 F HA 0.158 4.686 4.527 0.001 0.000 0.362 201 F C 0.803 176.599 175.800 -0.008 0.000 1.090 201 F CA -1.214 56.784 58.000 -0.003 0.000 1.202 201 F CB 0.643 39.617 39.000 -0.043 0.000 1.113 201 F HN -0.006 nan 8.300 nan 0.000 0.541 202 M N 7.083 126.792 119.600 0.181 0.000 2.327 202 M HA 0.141 4.622 4.480 0.001 0.000 0.353 202 M C -2.304 174.046 176.300 0.084 0.000 1.539 202 M CA -1.237 54.120 55.300 0.095 0.000 1.039 202 M CB 0.328 32.957 32.600 0.048 0.000 1.967 202 M HN 0.172 nan 8.290 nan 0.000 0.459 203 P HA 0.084 nan 4.420 nan 0.000 0.270 203 P C -1.086 176.268 177.300 0.091 0.000 1.223 203 P CA -0.531 62.626 63.100 0.094 0.000 0.785 203 P CB 0.442 32.189 31.700 0.078 0.000 0.923 204 L N 2.211 123.524 121.223 0.149 0.000 2.416 204 L HA 0.278 4.619 4.340 0.001 0.000 0.272 204 L C -0.044 176.861 176.870 0.058 0.000 1.161 204 L CA 0.630 55.535 54.840 0.109 0.000 0.845 204 L CB -0.092 42.071 42.059 0.173 0.000 1.119 204 L HN 0.238 nan 8.230 nan 0.000 0.464 205 D N 5.661 126.077 120.400 0.027 0.000 2.440 205 D HA 0.382 5.023 4.640 0.001 0.000 0.252 205 D C -2.112 174.205 176.300 0.029 0.000 1.180 205 D CA -1.835 52.181 54.000 0.028 0.000 0.894 205 D CB 1.905 42.719 40.800 0.023 0.000 1.111 205 D HN 0.273 nan 8.370 nan 0.000 0.544 206 P HA -0.086 nan 4.420 nan 0.000 0.220 206 P C 1.337 178.653 177.300 0.026 0.000 1.148 206 P CA 1.173 64.281 63.100 0.015 0.000 0.803 206 P CB 0.213 31.910 31.700 -0.004 0.000 0.782 207 T N -3.495 111.075 114.554 0.026 0.000 3.007 207 T HA -0.143 4.208 4.350 0.001 0.000 0.270 207 T C 1.569 176.291 174.700 0.036 0.000 1.107 207 T CA 0.999 63.116 62.100 0.029 0.000 1.118 207 T CB -0.749 68.133 68.868 0.024 0.000 0.889 207 T HN 0.228 nan 8.240 nan 0.000 0.506 208 Q N 0.416 120.241 119.800 0.042 0.000 2.360 208 Q HA 0.171 4.512 4.340 0.001 0.000 0.202 208 Q C 0.119 176.164 176.000 0.075 0.000 0.915 208 Q CA -0.028 55.804 55.803 0.049 0.000 0.943 208 Q CB 0.320 29.082 28.738 0.040 0.000 1.064 208 Q HN 0.546 nan 8.270 nan 0.000 0.511 209 E N 2.077 122.329 120.200 0.087 0.000 2.383 209 E HA 0.126 4.477 4.350 0.001 0.000 0.264 209 E C -2.163 174.494 176.600 0.095 0.000 1.050 209 E CA -1.858 54.616 56.400 0.123 0.000 0.896 209 E CB -0.047 29.715 29.700 0.103 0.000 0.982 209 E HN 0.033 nan 8.360 nan 0.000 0.424 210 P HA 0.063 nan 4.420 nan 0.000 0.265 210 P C 0.004 177.352 177.300 0.080 0.000 1.193 210 P CA 0.021 63.164 63.100 0.071 0.000 0.765 210 P CB 0.341 32.077 31.700 0.059 0.000 0.823 211 I N 3.288 123.895 120.570 0.061 0.000 2.575 211 I HA 0.143 4.313 4.170 0.001 0.000 0.285 211 I C 0.308 176.482 176.117 0.095 0.000 1.085 211 I CA -0.558 60.791 61.300 0.082 0.000 1.403 211 I CB 0.147 38.177 38.000 0.049 0.000 1.409 211 I HN 0.184 nan 8.210 nan 0.000 0.557 212 F N 9.401 129.357 119.950 0.011 0.000 2.623 212 F HA 0.185 4.713 4.527 0.001 0.000 0.383 212 F C -1.855 173.869 175.800 -0.127 0.000 1.077 212 F CA -1.634 56.350 58.000 -0.027 0.000 1.268 212 F CB -0.216 38.785 39.000 0.002 0.000 1.053 212 F HN 0.350 nan 8.300 nan 0.000 0.571 213 P HA 0.006 nan 4.420 nan 0.000 0.260 213 P C -2.213 174.721 177.300 -0.609 0.000 1.185 213 P CA -0.592 62.025 63.100 -0.804 0.000 0.763 213 P CB 0.365 31.168 31.700 -1.494 0.000 0.776 214 P HA -0.151 nan 4.420 nan 0.000 0.219 214 P C 1.399 178.578 177.300 -0.202 0.000 1.150 214 P CA 1.054 64.051 63.100 -0.170 0.000 0.814 214 P CB 0.042 31.688 31.700 -0.091 0.000 0.787 215 E N -0.088 119.967 120.200 -0.243 0.000 2.118 215 E HA -0.184 4.167 4.350 0.001 0.000 0.195 215 E C 1.796 178.241 176.600 -0.258 0.000 0.992 215 E CA 0.928 57.226 56.400 -0.170 0.000 0.804 215 E CB -0.506 29.209 29.700 0.026 0.000 0.741 215 E HN 0.180 nan 8.360 nan 0.000 0.458 216 L N 0.175 121.098 121.223 -0.500 0.000 2.093 216 L HA -0.169 4.172 4.340 0.001 0.000 0.208 216 L C 2.491 179.287 176.870 -0.124 0.000 1.085 216 L CA 0.245 54.855 54.840 -0.383 0.000 0.755 216 L CB -0.250 41.470 42.059 -0.565 0.000 0.904 216 L HN 0.255 nan 8.230 nan 0.000 0.435 217 L N -0.019 121.179 121.223 -0.041 0.000 2.083 217 L HA -0.167 4.174 4.340 0.001 0.000 0.209 217 L C 2.686 179.468 176.870 -0.146 0.000 1.083 217 L CA 1.670 56.497 54.840 -0.021 0.000 0.752 217 L CB -0.567 41.521 42.059 0.048 0.000 0.899 217 L HN 0.121 nan 8.230 nan 0.000 0.433 218 R N -1.203 119.221 120.500 -0.127 0.000 2.092 218 R HA -0.091 4.250 4.340 0.001 0.000 0.231 218 R C 2.137 178.364 176.300 -0.121 0.000 1.119 218 R CA 1.210 57.242 56.100 -0.114 0.000 0.970 218 R CB -0.387 29.864 30.300 -0.082 0.000 0.864 218 R HN 0.328 nan 8.270 nan 0.000 0.440 219 L N 1.523 122.657 121.223 -0.147 0.000 2.291 219 L HA -0.099 4.242 4.340 0.001 0.000 0.214 219 L C 2.527 179.333 176.870 -0.106 0.000 1.120 219 L CA 0.903 55.659 54.840 -0.140 0.000 0.799 219 L CB -0.417 41.453 42.059 -0.315 0.000 0.925 219 L HN 0.187 nan 8.230 nan 0.000 0.446 220 K N 0.052 120.358 120.400 -0.157 0.000 2.113 220 K HA -0.265 4.056 4.320 0.001 0.000 0.208 220 K C 1.196 177.711 176.600 -0.142 0.000 1.047 220 K CA 2.028 58.207 56.287 -0.181 0.000 0.928 220 K CB -0.358 31.808 32.500 -0.557 0.000 0.716 220 K HN 0.237 nan 8.250 nan 0.000 0.446 221 D N 1.404 121.717 120.400 -0.146 0.000 2.084 221 D HA -0.066 4.575 4.640 0.001 0.000 0.194 221 D C 0.587 176.862 176.300 -0.041 0.000 0.990 221 D CA 0.821 54.765 54.000 -0.093 0.000 0.826 221 D CB -0.360 40.386 40.800 -0.088 0.000 0.971 221 D HN 0.039 nan 8.370 nan 0.000 0.453 222 V N 4.174 124.076 119.914 -0.021 0.000 2.644 222 V HA -0.012 4.109 4.120 0.001 0.000 0.305 222 V C -1.791 174.308 176.094 0.009 0.000 1.053 222 V CA -0.660 61.645 62.300 0.009 0.000 1.186 222 V CB 0.110 31.957 31.823 0.040 0.000 0.895 222 V HN 0.134 nan 8.190 nan 0.000 0.490 223 P HA 0.276 nan 4.420 nan 0.000 0.275 223 P C -2.414 174.888 177.300 0.002 0.000 1.227 223 P CA -1.363 61.737 63.100 0.001 0.000 0.781 223 P CB 0.110 31.816 31.700 0.011 0.000 0.906 224 P HA 0.143 nan 4.420 nan 0.000 0.268 224 P C -0.598 176.744 177.300 0.070 0.000 1.208 224 P CA 0.210 63.269 63.100 -0.069 0.000 0.777 224 P CB 0.620 32.174 31.700 -0.242 0.000 0.875 225 K N 0.259 120.747 120.400 0.145 0.000 2.443 225 K HA 0.359 4.680 4.320 0.001 0.000 0.251 225 K C -0.289 176.443 176.600 0.221 0.000 0.972 225 K CA -0.978 55.399 56.287 0.149 0.000 0.833 225 K CB 1.583 34.138 32.500 0.091 0.000 1.317 225 K HN 0.360 nan 8.250 nan 0.000 0.441 226 Q N 1.995 121.871 119.800 0.126 0.000 2.361 226 Q HA 0.155 4.495 4.340 0.001 0.000 0.276 226 Q C -1.116 174.862 176.000 -0.038 0.000 1.022 226 Q CA 0.115 55.951 55.803 0.055 0.000 0.898 226 Q CB 0.462 29.204 28.738 0.007 0.000 1.246 226 Q HN 0.461 nan 8.270 nan 0.000 0.410 227 L N 3.610 124.737 121.223 -0.160 0.000 2.354 227 L HA 0.646 4.987 4.340 0.001 0.000 0.269 227 L C -0.413 176.154 176.870 -0.505 0.000 1.005 227 L CA -0.906 53.706 54.840 -0.381 0.000 0.819 227 L CB 2.154 43.879 42.059 -0.557 0.000 1.311 227 L HN 0.655 nan 8.230 nan 0.000 0.423 228 R N 1.879 122.017 120.500 -0.604 0.000 2.513 228 R HA 0.631 4.971 4.340 0.001 0.000 0.301 228 R C -1.886 174.075 176.300 -0.565 0.000 0.968 228 R CA -0.390 55.450 56.100 -0.432 0.000 0.872 228 R CB 1.343 31.528 30.300 -0.193 0.000 1.177 228 R HN 0.423 nan 8.270 nan 0.000 0.444 229 F N 1.730 121.715 119.950 0.059 0.000 2.522 229 F HA 0.450 4.978 4.527 0.001 0.000 0.324 229 F C -0.047 175.781 175.800 0.046 0.000 1.077 229 F CA -0.877 57.131 58.000 0.014 0.000 0.944 229 F CB 2.330 41.279 39.000 -0.085 0.000 1.175 229 F HN 0.330 nan 8.300 nan 0.000 0.468 230 E N 0.801 121.126 120.200 0.209 0.000 2.241 230 E HA 0.531 4.882 4.350 0.001 0.000 0.263 230 E C -0.285 176.381 176.600 0.110 0.000 0.882 230 E CA -0.635 55.844 56.400 0.131 0.000 0.769 230 E CB 2.285 32.038 29.700 0.087 0.000 1.185 230 E HN 0.808 nan 8.360 nan 0.000 0.415 231 G N 1.090 109.950 108.800 0.100 0.000 3.075 231 G HA2 0.090 4.051 3.960 0.001 0.000 0.253 231 G HA3 0.090 4.051 3.960 0.001 0.000 0.253 231 G C 0.450 175.395 174.900 0.074 0.000 1.353 231 G CA -0.370 44.777 45.100 0.078 0.000 1.051 231 G HN 0.570 nan 8.290 nan 0.000 0.553 232 E N -0.757 119.487 120.200 0.075 0.000 2.110 232 E HA -0.078 4.272 4.350 0.001 0.000 0.193 232 E C 1.991 178.633 176.600 0.070 0.000 0.988 232 E CA 0.928 57.377 56.400 0.080 0.000 0.804 232 E CB 0.057 29.825 29.700 0.113 0.000 0.745 232 E HN 0.437 nan 8.360 nan 0.000 0.458 233 R N -1.027 119.515 120.500 0.071 0.000 2.513 233 R HA 0.238 4.579 4.340 0.001 0.000 0.245 233 R C -0.421 175.921 176.300 0.069 0.000 0.908 233 R CA -0.057 56.080 56.100 0.061 0.000 1.023 233 R CB 1.955 32.288 30.300 0.055 0.000 1.338 233 R HN -0.093 nan 8.270 nan 0.000 0.575 234 V N 1.220 121.188 119.914 0.090 0.000 2.789 234 V HA 0.358 4.478 4.120 0.001 0.000 0.311 234 V C -0.348 175.825 176.094 0.133 0.000 1.073 234 V CA -0.673 61.698 62.300 0.118 0.000 0.921 234 V CB 2.326 34.245 31.823 0.160 0.000 1.009 234 V HN 0.006 nan 8.190 nan 0.000 0.426 235 T N 4.161 118.787 114.554 0.120 0.000 2.823 235 T HA 0.440 4.791 4.350 0.001 0.000 0.279 235 T C -1.156 173.657 174.700 0.189 0.000 0.998 235 T CA -0.274 61.900 62.100 0.123 0.000 0.994 235 T CB 1.240 70.125 68.868 0.029 0.000 0.960 235 T HN 0.681 nan 8.240 nan 0.000 0.448 236 W N 4.956 126.266 121.300 0.016 0.000 2.600 236 W HA 0.631 5.292 4.660 0.001 0.000 0.325 236 W C -2.159 174.307 176.519 -0.087 0.000 1.034 236 W CA -1.460 55.892 57.345 0.012 0.000 1.226 236 W CB 0.669 30.209 29.460 0.133 0.000 1.379 236 W HN 0.512 nan 8.180 nan 0.000 0.466 237 I N 4.995 125.498 120.570 -0.113 0.000 2.389 237 I HA 0.062 4.233 4.170 0.001 0.000 0.288 237 I C -0.042 175.933 176.117 -0.236 0.000 0.999 237 I CA -0.664 60.552 61.300 -0.140 0.000 1.129 237 I CB 1.996 39.899 38.000 -0.161 0.000 1.288 237 I HN 0.273 nan 8.210 nan 0.000 0.444 238 Q N 5.631 125.343 119.800 -0.147 0.000 2.377 238 Q HA 0.528 4.869 4.340 0.001 0.000 0.249 238 Q C -0.468 175.360 176.000 -0.287 0.000 1.005 238 Q CA -0.342 55.288 55.803 -0.289 0.000 0.912 238 Q CB 1.200 29.680 28.738 -0.429 0.000 1.223 238 Q HN 0.716 nan 8.270 nan 0.000 0.459 239 A N 2.984 125.664 122.820 -0.233 0.000 2.409 239 A HA 0.346 4.666 4.320 0.001 0.000 0.267 239 A C 0.884 178.496 177.584 0.046 0.000 1.127 239 A CA 0.186 52.171 52.037 -0.087 0.000 0.795 239 A CB 0.365 19.312 19.000 -0.088 0.000 1.061 239 A HN 0.949 nan 8.150 nan 0.000 0.502 240 S N 1.386 117.183 115.700 0.162 0.000 2.486 240 S HA 0.135 4.605 4.470 0.001 0.000 0.220 240 S C 0.776 175.490 174.600 0.191 0.000 1.011 240 S CA 0.837 59.226 58.200 0.314 0.000 0.921 240 S CB -0.364 63.035 63.200 0.331 0.000 0.785 240 S HN 1.358 nan 8.310 nan 0.000 0.517 241 T N -1.673 112.945 114.554 0.107 0.000 2.896 241 T HA 0.612 4.963 4.350 0.001 0.000 0.297 241 T C 0.476 175.201 174.700 0.041 0.000 1.108 241 T CA -0.707 61.435 62.100 0.071 0.000 1.004 241 T CB 1.319 70.218 68.868 0.051 0.000 1.159 241 T HN -0.020 nan 8.240 nan 0.000 0.499 242 L N 1.657 122.896 121.223 0.028 0.000 1.990 242 L HA 0.025 4.366 4.340 0.001 0.000 0.213 242 L C 2.658 179.529 176.870 0.001 0.000 1.072 242 L CA 2.294 57.139 54.840 0.009 0.000 0.755 242 L CB -0.868 41.193 42.059 0.003 0.000 0.889 242 L HN 0.954 nan 8.230 nan 0.000 0.432 243 K N -0.529 119.874 120.400 0.005 0.000 2.074 243 K HA -0.259 4.062 4.320 0.001 0.000 0.209 243 K C 1.941 178.541 176.600 0.000 0.000 1.048 243 K CA 2.128 58.416 56.287 0.001 0.000 0.926 243 K CB -0.234 32.269 32.500 0.004 0.000 0.713 243 K HN 0.540 nan 8.250 nan 0.000 0.444 244 E N 0.420 120.624 120.200 0.007 0.000 2.085 244 E HA -0.221 4.130 4.350 0.001 0.000 0.194 244 E C 2.035 178.629 176.600 -0.010 0.000 0.994 244 E CA 1.275 57.676 56.400 0.003 0.000 0.801 244 E CB -0.159 29.548 29.700 0.012 0.000 0.743 244 E HN 0.235 nan 8.360 nan 0.000 0.453 245 L N 1.042 122.256 121.223 -0.015 0.000 2.017 245 L HA -0.172 4.169 4.340 0.001 0.000 0.208 245 L C 2.036 178.890 176.870 -0.028 0.000 1.073 245 L CA 1.630 56.451 54.840 -0.032 0.000 0.745 245 L CB -0.388 41.650 42.059 -0.035 0.000 0.894 245 L HN 0.117 nan 8.230 nan 0.000 0.432 246 L N -0.772 120.439 121.223 -0.021 0.000 2.093 246 L HA -0.174 4.167 4.340 0.001 0.000 0.208 246 L C 2.225 179.084 176.870 -0.019 0.000 1.085 246 L CA 1.133 55.961 54.840 -0.021 0.000 0.755 246 L CB -0.904 41.143 42.059 -0.019 0.000 0.904 246 L HN 0.276 nan 8.230 nan 0.000 0.435 247 D N 0.405 120.796 120.400 -0.015 0.000 2.097 247 D HA -0.129 4.512 4.640 0.001 0.000 0.197 247 D C 2.417 178.712 176.300 -0.007 0.000 0.984 247 D CA 1.121 55.113 54.000 -0.013 0.000 0.826 247 D CB -0.239 40.557 40.800 -0.007 0.000 0.973 247 D HN 0.208 nan 8.370 nan 0.000 0.460 248 L N 0.561 121.787 121.223 0.006 0.000 2.079 248 L HA -0.172 4.169 4.340 0.001 0.000 0.210 248 L C 2.329 179.223 176.870 0.039 0.000 1.081 248 L CA 1.039 55.905 54.840 0.043 0.000 0.752 248 L CB -0.316 41.751 42.059 0.014 0.000 0.896 248 L HN -0.077 nan 8.230 nan 0.000 0.433 249 K N 0.055 120.454 120.400 -0.002 0.000 2.148 249 K HA -0.056 4.265 4.320 0.001 0.000 0.204 249 K C 2.177 178.766 176.600 -0.020 0.000 1.050 249 K CA 1.353 57.634 56.287 -0.010 0.000 0.942 249 K CB -0.346 32.137 32.500 -0.027 0.000 0.724 249 K HN 0.307 nan 8.250 nan 0.000 0.446 250 A N 1.211 124.012 122.820 -0.032 0.000 1.898 250 A HA -0.173 4.148 4.320 0.001 0.000 0.216 250 A C 2.116 179.644 177.584 -0.094 0.000 1.181 250 A CA 1.248 53.254 52.037 -0.051 0.000 0.620 250 A CB -0.350 18.623 19.000 -0.045 0.000 0.819 250 A HN 0.355 nan 8.150 nan 0.000 0.442 251 Q N -1.262 118.462 119.800 -0.127 0.000 2.172 251 Q HA -0.047 4.294 4.340 0.001 0.000 0.200 251 Q C -0.142 175.510 176.000 -0.579 0.000 0.964 251 Q CA 0.912 56.523 55.803 -0.320 0.000 0.855 251 Q CB 0.129 28.694 28.738 -0.287 0.000 0.918 251 Q HN 0.727 nan 8.270 nan 0.000 0.444 252 H N -0.903 118.152 119.070 -0.025 0.000 2.538 252 H HA 0.148 4.705 4.556 0.001 0.000 0.239 252 H C -2.017 173.295 175.328 -0.027 0.000 1.401 252 H CA -1.643 54.392 56.048 -0.022 0.000 1.499 252 H CB 1.235 30.981 29.762 -0.027 0.000 1.624 252 H HN 0.109 nan 8.280 nan 0.000 0.524 253 P HA -0.132 nan 4.420 nan 0.000 0.223 253 P C 1.376 178.692 177.300 0.026 0.000 1.151 253 P CA 0.933 64.041 63.100 0.014 0.000 0.787 253 P CB 0.506 32.204 31.700 -0.004 0.000 0.788 254 E N 0.651 120.884 120.200 0.055 0.000 2.427 254 E HA 0.008 4.359 4.350 0.001 0.000 0.196 254 E C 0.690 177.322 176.600 0.053 0.000 1.028 254 E CA 0.067 56.504 56.400 0.062 0.000 0.864 254 E CB -0.919 28.829 29.700 0.079 0.000 0.813 254 E HN 0.032 nan 8.360 nan 0.000 0.514 255 A N 1.804 124.647 122.820 0.038 0.000 2.498 255 A HA 0.150 4.471 4.320 0.001 0.000 0.239 255 A C 0.231 177.763 177.584 -0.086 0.000 1.068 255 A CA -0.097 51.929 52.037 -0.019 0.000 0.766 255 A CB 0.317 19.294 19.000 -0.037 0.000 1.003 255 A HN -0.019 nan 8.150 nan 0.000 0.497 256 K N 2.007 122.316 120.400 -0.152 0.000 2.234 256 K HA 0.365 4.685 4.320 0.001 0.000 0.277 256 K C -0.799 175.617 176.600 -0.306 0.000 1.038 256 K CA -0.536 55.569 56.287 -0.303 0.000 0.888 256 K CB 1.023 33.157 32.500 -0.610 0.000 1.091 256 K HN 0.556 nan 8.250 nan 0.000 0.467 257 L N 3.118 124.180 121.223 -0.268 0.000 2.456 257 L HA 0.162 4.502 4.340 0.001 0.000 0.272 257 L C -0.056 176.641 176.870 -0.288 0.000 1.189 257 L CA 0.166 54.847 54.840 -0.266 0.000 0.846 257 L CB 0.824 42.770 42.059 -0.187 0.000 1.111 257 L HN 0.207 nan 8.230 nan 0.000 0.475 258 V N 4.540 124.255 119.914 -0.331 0.000 2.638 258 V HA 0.438 4.559 4.120 0.001 0.000 0.306 258 V C 0.290 176.276 176.094 -0.180 0.000 1.052 258 V CA -0.427 61.725 62.300 -0.247 0.000 0.885 258 V CB 1.920 33.578 31.823 -0.275 0.000 0.999 258 V HN 0.611 nan 8.190 nan 0.000 0.424 259 V N 3.408 123.279 119.914 -0.073 0.000 3.405 259 V HA 0.266 4.387 4.120 0.001 0.000 0.211 259 V C 2.047 178.171 176.094 0.050 0.000 1.151 259 V CA 1.314 63.602 62.300 -0.020 0.000 1.323 259 V CB -0.247 31.563 31.823 -0.022 0.000 1.357 259 V HN 0.870 nan 8.190 nan 0.000 0.506 260 G N -0.749 108.082 108.800 0.050 0.000 2.683 260 G HA2 -0.088 3.873 3.960 0.001 0.000 0.213 260 G HA3 -0.088 3.873 3.960 0.001 0.000 0.213 260 G C 0.773 175.735 174.900 0.104 0.000 1.142 260 G CA 0.860 46.010 45.100 0.083 0.000 0.793 260 G HN 0.616 nan 8.290 nan 0.000 0.534 261 N N -0.721 118.034 118.700 0.091 0.000 2.878 261 N HA -0.215 4.525 4.740 0.001 0.000 0.247 261 N C 1.420 176.999 175.510 0.114 0.000 1.021 261 N CA 1.845 54.961 53.050 0.110 0.000 0.873 261 N CB -1.686 36.892 38.487 0.152 0.000 1.128 261 N HN 0.413 nan 8.380 nan 0.000 0.571 262 T N -4.047 110.570 114.554 0.105 0.000 3.081 262 T HA 0.130 4.480 4.350 0.001 0.000 0.255 262 T C 1.328 176.097 174.700 0.116 0.000 1.113 262 T CA 1.202 63.373 62.100 0.118 0.000 1.082 262 T CB 0.309 69.248 68.868 0.118 0.000 0.939 262 T HN 0.370 nan 8.240 nan 0.000 0.506 263 E N 0.971 121.230 120.200 0.099 0.000 2.152 263 E HA 0.178 4.528 4.350 0.001 0.000 0.195 263 E C 1.914 178.586 176.600 0.121 0.000 0.934 263 E CA 0.085 56.544 56.400 0.097 0.000 0.869 263 E CB -0.369 29.371 29.700 0.065 0.000 0.842 263 E HN 0.275 nan 8.360 nan 0.000 0.472 264 I N 1.594 122.221 120.570 0.095 0.000 2.286 264 I HA -0.095 4.076 4.170 0.001 0.000 0.248 264 I C 2.304 178.539 176.117 0.198 0.000 1.115 264 I CA 1.597 62.974 61.300 0.128 0.000 1.392 264 I CB -1.645 36.376 38.000 0.034 0.000 1.065 264 I HN 0.342 nan 8.210 nan 0.000 0.418 265 G N 1.497 110.400 108.800 0.173 0.000 2.469 265 G HA2 -0.224 3.737 3.960 0.001 0.000 0.219 265 G HA3 -0.224 3.737 3.960 0.001 0.000 0.219 265 G C 1.614 176.645 174.900 0.219 0.000 1.150 265 G CA 0.441 45.649 45.100 0.180 0.000 0.763 265 G HN 0.230 nan 8.290 nan 0.000 0.561 266 I N 0.888 121.615 120.570 0.262 0.000 2.286 266 I HA -0.046 4.125 4.170 0.001 0.000 0.245 266 I C 2.564 178.884 176.117 0.339 0.000 1.104 266 I CA 0.917 62.451 61.300 0.389 0.000 1.397 266 I CB -1.204 36.965 38.000 0.281 0.000 1.072 266 I HN 0.333 nan 8.210 nan 0.000 0.417 267 E N 0.469 120.825 120.200 0.261 0.000 2.077 267 E HA -0.207 4.144 4.350 0.001 0.000 0.193 267 E C 2.323 179.032 176.600 0.182 0.000 0.989 267 E CA 1.259 57.808 56.400 0.248 0.000 0.800 267 E CB -0.115 29.783 29.700 0.330 0.000 0.746 267 E HN 0.404 nan 8.360 nan 0.000 0.452 268 M N 0.351 120.063 119.600 0.186 0.000 2.132 268 M HA -0.170 4.311 4.480 0.001 0.000 0.263 268 M C 2.305 178.593 176.300 -0.019 0.000 1.065 268 M CA 1.333 56.682 55.300 0.081 0.000 1.122 268 M CB 0.022 32.697 32.600 0.124 0.000 1.365 268 M HN -0.121 nan 8.290 nan 0.000 0.411 269 K N 0.080 120.453 120.400 -0.045 0.000 2.128 269 K HA 0.025 4.345 4.320 0.001 0.000 0.202 269 K C 1.136 177.475 176.600 -0.435 0.000 1.050 269 K CA 1.486 57.593 56.287 -0.301 0.000 0.966 269 K CB -0.020 32.193 32.500 -0.478 0.000 0.759 269 K HN 0.219 nan 8.250 nan 0.000 0.454 270 F N 0.147 120.120 119.950 0.038 0.000 2.694 270 F HA 0.329 4.857 4.527 0.001 0.000 0.292 270 F C 1.183 177.001 175.800 0.029 0.000 1.121 270 F CA 0.078 58.102 58.000 0.040 0.000 1.352 270 F CB 0.552 39.594 39.000 0.070 0.000 1.107 270 F HN -0.176 nan 8.300 nan 0.000 0.597 271 K N 0.299 120.807 120.400 0.180 0.000 2.414 271 K HA 0.144 4.465 4.320 0.001 0.000 0.204 271 K C -0.230 176.392 176.600 0.037 0.000 1.026 271 K CA -0.036 56.329 56.287 0.129 0.000 1.108 271 K CB 0.017 32.613 32.500 0.160 0.000 0.855 271 K HN 0.065 nan 8.250 nan 0.000 0.517 272 N N 2.534 121.205 118.700 -0.050 0.000 2.710 272 N HA -0.174 4.566 4.740 0.001 0.000 0.249 272 N C -0.708 174.734 175.510 -0.114 0.000 1.059 272 N CA 0.979 53.948 53.050 -0.135 0.000 0.720 272 N CB -0.741 37.597 38.487 -0.248 0.000 0.983 272 N HN 0.354 nan 8.380 nan 0.000 0.544 273 Q N 0.429 120.146 119.800 -0.139 0.000 2.293 273 Q HA 0.462 4.802 4.340 0.001 0.000 0.251 273 Q C 0.209 175.941 176.000 -0.446 0.000 0.930 273 Q CA -0.389 55.207 55.803 -0.344 0.000 0.893 273 Q CB 1.726 30.210 28.738 -0.423 0.000 1.215 273 Q HN 0.357 nan 8.270 nan 0.000 0.425 274 L N 2.620 123.510 121.223 -0.556 0.000 2.349 274 L HA 0.497 4.837 4.340 0.001 0.000 0.278 274 L C -1.695 174.854 176.870 -0.536 0.000 0.996 274 L CA -0.284 54.315 54.840 -0.400 0.000 0.825 274 L CB 0.908 42.863 42.059 -0.172 0.000 1.243 274 L HN 0.437 nan 8.230 nan 0.000 0.412 275 F N 6.959 126.928 119.950 0.031 0.000 2.366 275 F HA 0.472 5.000 4.527 0.001 0.000 0.366 275 F C -1.369 174.443 175.800 0.020 0.000 1.096 275 F CA -1.323 56.689 58.000 0.019 0.000 1.060 275 F CB 1.173 40.178 39.000 0.008 0.000 1.282 275 F HN 0.460 nan 8.300 nan 0.000 0.450 276 P HA -0.134 nan 4.420 nan 0.000 0.222 276 P C 0.121 177.468 177.300 0.077 0.000 1.147 276 P CA 1.184 64.334 63.100 0.084 0.000 0.790 276 P CB 0.620 32.350 31.700 0.051 0.000 0.780 277 M N -0.174 119.471 119.600 0.075 0.000 2.327 277 M HA 0.442 4.923 4.480 0.001 0.000 0.298 277 M C -1.595 174.688 176.300 -0.028 0.000 1.065 277 M CA -0.913 54.387 55.300 -0.000 0.000 0.916 277 M CB 2.096 34.642 32.600 -0.089 0.000 1.630 277 M HN -0.340 nan 8.290 nan 0.000 0.442 278 I N 5.166 125.679 120.570 -0.095 0.000 2.509 278 I HA 0.490 4.661 4.170 0.001 0.000 0.293 278 I C -1.093 174.750 176.117 -0.457 0.000 1.020 278 I CA -0.714 60.418 61.300 -0.279 0.000 1.088 278 I CB 2.338 40.138 38.000 -0.334 0.000 1.267 278 I HN 0.653 nan 8.210 nan 0.000 0.430 279 I N 5.388 125.669 120.570 -0.481 0.000 2.406 279 I HA 0.289 4.460 4.170 0.001 0.000 0.290 279 I C -0.617 175.137 176.117 -0.604 0.000 0.999 279 I CA -0.475 60.532 61.300 -0.487 0.000 1.124 279 I CB 1.808 39.641 38.000 -0.279 0.000 1.289 279 I HN 0.523 nan 8.210 nan 0.000 0.441 280 C N 9.177 128.050 119.300 -0.711 0.000 2.251 280 C HA 0.529 4.989 4.460 0.001 0.000 0.323 280 C C -1.560 173.231 174.990 -0.331 0.000 1.241 280 C CA -1.594 57.095 59.018 -0.548 0.000 1.601 280 C CB 0.526 27.958 27.740 -0.513 0.000 2.251 280 C HN 0.613 nan 8.230 nan 0.000 0.488 281 P HA 0.151 nan 4.420 nan 0.000 0.261 281 P C 1.005 178.275 177.300 -0.051 0.000 1.352 281 P CA 0.416 63.442 63.100 -0.124 0.000 0.891 281 P CB 0.140 31.783 31.700 -0.095 0.000 1.383 282 A N -0.476 122.305 122.820 -0.066 0.000 2.024 282 A HA -0.137 4.184 4.320 0.001 0.000 0.220 282 A C 1.617 179.331 177.584 0.217 0.000 1.164 282 A CA 0.963 53.029 52.037 0.047 0.000 0.643 282 A CB -1.507 17.530 19.000 0.062 0.000 0.806 282 A HN 0.186 nan 8.150 nan 0.000 0.451 283 W N -0.195 121.139 121.300 0.056 0.000 2.800 283 W HA 0.247 4.908 4.660 0.001 0.000 0.249 283 W C 0.384 176.923 176.519 0.034 0.000 1.294 283 W CA -0.690 56.691 57.345 0.060 0.000 1.402 283 W CB -0.714 28.793 29.460 0.077 0.000 1.126 283 W HN 0.114 nan 8.180 nan 0.000 0.652 284 I N 2.735 123.441 120.570 0.228 0.000 2.416 284 I HA 0.010 4.181 4.170 0.001 0.000 0.288 284 I C -1.012 175.158 176.117 0.087 0.000 1.051 284 I CA -1.661 59.722 61.300 0.139 0.000 1.375 284 I CB 1.265 39.313 38.000 0.079 0.000 1.407 284 I HN -0.377 nan 8.210 nan 0.000 0.516 285 P HA -0.151 nan 4.420 nan 0.000 0.216 285 P C 0.998 178.305 177.300 0.011 0.000 1.150 285 P CA 1.200 64.320 63.100 0.033 0.000 0.837 285 P CB 0.244 31.957 31.700 0.022 0.000 0.786 286 E N -0.766 119.438 120.200 0.007 0.000 2.204 286 E HA -0.099 4.252 4.350 0.001 0.000 0.195 286 E C 1.676 178.267 176.600 -0.015 0.000 0.990 286 E CA 0.806 57.199 56.400 -0.012 0.000 0.821 286 E CB -0.859 28.833 29.700 -0.014 0.000 0.750 286 E HN 0.244 nan 8.360 nan 0.000 0.477 287 L N 0.565 121.787 121.223 -0.000 0.000 2.591 287 L HA 0.074 4.415 4.340 0.001 0.000 0.228 287 L C 1.094 177.964 176.870 0.001 0.000 1.133 287 L CA 0.326 55.163 54.840 -0.004 0.000 0.880 287 L CB 0.132 42.191 42.059 0.000 0.000 1.033 287 L HN 0.121 nan 8.230 nan 0.000 0.450 288 N N -0.262 118.440 118.700 0.004 0.000 2.171 288 N HA 0.195 4.935 4.740 0.001 0.000 0.212 288 N C 0.433 175.934 175.510 -0.016 0.000 1.184 288 N CA 0.041 53.093 53.050 0.002 0.000 0.888 288 N CB 1.010 39.504 38.487 0.011 0.000 1.038 288 N HN 0.081 nan 8.380 nan 0.000 0.517 289 A N 1.162 123.961 122.820 -0.034 0.000 2.388 289 A HA 0.450 4.771 4.320 0.001 0.000 0.257 289 A C 0.170 177.681 177.584 -0.121 0.000 1.095 289 A CA -0.007 51.990 52.037 -0.067 0.000 0.791 289 A CB 0.642 19.601 19.000 -0.067 0.000 1.029 289 A HN -0.042 nan 8.150 nan 0.000 0.489 290 V N 3.256 123.070 119.914 -0.167 0.000 2.409 290 V HA 0.401 4.521 4.120 0.001 0.000 0.291 290 V C -0.241 175.663 176.094 -0.318 0.000 1.020 290 V CA -0.315 61.776 62.300 -0.348 0.000 0.848 290 V CB 1.239 32.886 31.823 -0.293 0.000 0.990 290 V HN 1.002 nan 8.190 nan 0.000 0.430 291 E N 3.362 123.296 120.200 -0.442 0.000 2.246 291 E HA 0.438 4.789 4.350 0.001 0.000 0.266 291 E C -1.162 175.201 176.600 -0.395 0.000 0.880 291 E CA -0.756 55.477 56.400 -0.280 0.000 0.762 291 E CB 1.804 31.391 29.700 -0.187 0.000 1.180 291 E HN 0.682 nan 8.360 nan 0.000 0.416 292 H N 2.194 121.165 119.070 -0.165 0.000 2.741 292 H HA 0.288 4.845 4.556 0.001 0.000 0.282 292 H C 0.158 175.467 175.328 -0.031 0.000 1.122 292 H CA -0.263 55.728 56.048 -0.095 0.000 1.293 292 H CB 1.104 30.840 29.762 -0.043 0.000 1.415 292 H HN 0.622 nan 8.280 nan 0.000 0.472 293 G N 2.738 111.557 108.800 0.032 0.000 2.705 293 G HA2 0.195 4.156 3.960 0.001 0.000 0.299 293 G HA3 0.195 4.156 3.960 0.001 0.000 0.299 293 G C -1.411 173.578 174.900 0.149 0.000 1.315 293 G CA -1.266 43.861 45.100 0.046 0.000 1.045 293 G HN 0.277 nan 8.290 nan 0.000 0.517 294 P HA 0.029 nan 4.420 nan 0.000 0.225 294 P C 0.765 178.199 177.300 0.223 0.000 1.156 294 P CA 0.878 64.066 63.100 0.146 0.000 0.787 294 P CB 0.548 32.284 31.700 0.059 0.000 0.802 295 E N -0.285 119.993 120.200 0.130 0.000 2.415 295 E HA 0.277 4.627 4.350 0.001 0.000 0.197 295 E C 1.340 177.919 176.600 -0.035 0.000 1.007 295 E CA 0.519 56.974 56.400 0.091 0.000 0.890 295 E CB 0.638 30.335 29.700 -0.005 0.000 0.891 295 E HN 0.268 nan 8.360 nan 0.000 0.496 296 G N 0.556 109.203 108.800 -0.255 0.000 2.317 296 G HA2 0.307 4.268 3.960 0.001 0.000 0.293 296 G HA3 0.307 4.268 3.960 0.001 0.000 0.293 296 G C -1.574 173.020 174.900 -0.510 0.000 1.287 296 G CA -0.988 43.680 45.100 -0.720 0.000 0.850 296 G HN -0.012 nan 8.290 nan 0.000 0.515 297 I N 1.534 121.827 120.570 -0.463 0.000 2.339 297 I HA 0.472 4.643 4.170 0.001 0.000 0.290 297 I C 0.374 176.131 176.117 -0.601 0.000 0.994 297 I CA -0.601 60.329 61.300 -0.617 0.000 1.191 297 I CB 1.744 39.272 38.000 -0.786 0.000 1.343 297 I HN 0.402 nan 8.210 nan 0.000 0.458 298 S N 6.574 121.899 115.700 -0.626 0.000 2.480 298 S HA 0.621 5.092 4.470 0.001 0.000 0.286 298 S C -0.885 173.297 174.600 -0.695 0.000 1.180 298 S CA -0.352 57.564 58.200 -0.473 0.000 1.075 298 S CB 0.353 63.373 63.200 -0.300 0.000 0.996 298 S HN 0.319 nan 8.310 nan 0.000 0.487 299 F N 2.567 122.374 119.950 -0.239 0.000 2.467 299 F HA 0.496 5.024 4.527 0.001 0.000 0.336 299 F C 1.225 176.924 175.800 -0.168 0.000 1.123 299 F CA -0.712 57.165 58.000 -0.205 0.000 0.964 299 F CB 1.388 40.261 39.000 -0.212 0.000 1.136 299 F HN 0.759 nan 8.300 nan 0.000 0.447 300 G N 1.234 110.045 108.800 0.018 0.000 2.257 300 G HA2 0.209 4.169 3.960 0.001 0.000 0.235 300 G HA3 0.209 4.169 3.960 0.001 0.000 0.235 300 G C 0.888 175.791 174.900 0.006 0.000 1.225 300 G CA 0.139 45.238 45.100 -0.002 0.000 0.878 300 G HN 0.993 nan 8.290 nan 0.000 0.505 301 A N 2.399 125.205 122.820 -0.023 0.000 2.070 301 A HA 0.191 4.511 4.320 0.001 0.000 0.220 301 A C 2.538 180.104 177.584 -0.030 0.000 1.159 301 A CA 2.115 54.132 52.037 -0.034 0.000 0.656 301 A CB -0.167 18.810 19.000 -0.039 0.000 0.800 301 A HN 1.411 nan 8.150 nan 0.000 0.453 302 A N -1.497 121.310 122.820 -0.021 0.000 2.251 302 A HA 0.246 4.566 4.320 0.001 0.000 0.209 302 A C 0.890 178.455 177.584 -0.031 0.000 1.187 302 A CA 0.040 52.065 52.037 -0.021 0.000 0.823 302 A CB -0.879 18.119 19.000 -0.004 0.000 0.846 302 A HN 0.454 nan 8.150 nan 0.000 0.486 303 C N 1.610 120.891 119.300 -0.031 0.000 2.596 303 C HA 0.408 4.868 4.460 0.001 0.000 0.414 303 C C 1.441 176.364 174.990 -0.113 0.000 1.396 303 C CA -0.475 58.512 59.018 -0.051 0.000 1.698 303 C CB -1.196 26.549 27.740 0.007 0.000 2.572 303 C HN 0.651 nan 8.230 nan 0.000 0.604 304 A N 4.213 126.949 122.820 -0.140 0.000 2.425 304 A HA 0.321 4.642 4.320 0.001 0.000 0.242 304 A C 1.180 178.633 177.584 -0.219 0.000 1.077 304 A CA -0.283 51.653 52.037 -0.168 0.000 0.781 304 A CB 0.150 19.026 19.000 -0.207 0.000 1.020 304 A HN 0.953 nan 8.150 nan 0.000 0.494 305 L N 1.667 122.752 121.223 -0.230 0.000 2.083 305 L HA -0.215 4.126 4.340 0.001 0.000 0.209 305 L C 2.853 179.544 176.870 -0.298 0.000 1.083 305 L CA 1.851 56.503 54.840 -0.313 0.000 0.752 305 L CB -0.620 41.207 42.059 -0.386 0.000 0.899 305 L HN 0.983 nan 8.230 nan 0.000 0.433 306 S N -1.047 114.513 115.700 -0.234 0.000 2.382 306 S HA -0.174 4.297 4.470 0.001 0.000 0.228 306 S C 2.071 176.556 174.600 -0.192 0.000 1.027 306 S CA 1.444 59.524 58.200 -0.200 0.000 0.991 306 S CB -0.499 62.603 63.200 -0.163 0.000 0.823 306 S HN 0.359 nan 8.310 nan 0.000 0.469 307 S N 1.649 117.233 115.700 -0.193 0.000 2.383 307 S HA -0.016 4.455 4.470 0.001 0.000 0.227 307 S C 1.992 176.495 174.600 -0.161 0.000 1.026 307 S CA 1.141 59.257 58.200 -0.141 0.000 0.981 307 S CB -0.671 62.468 63.200 -0.102 0.000 0.818 307 S HN 0.432 nan 8.310 nan 0.000 0.472 308 V N 1.839 121.540 119.914 -0.355 0.000 2.255 308 V HA -0.223 3.898 4.120 0.001 0.000 0.247 308 V C 2.504 178.378 176.094 -0.367 0.000 1.051 308 V CA 2.058 63.967 62.300 -0.651 0.000 1.018 308 V CB -0.639 30.675 31.823 -0.849 0.000 0.641 308 V HN 0.503 nan 8.190 nan 0.000 0.445 309 E N 0.162 120.188 120.200 -0.291 0.000 2.051 309 E HA -0.283 4.068 4.350 0.001 0.000 0.192 309 E C 2.352 178.864 176.600 -0.147 0.000 0.991 309 E CA 1.669 57.938 56.400 -0.219 0.000 0.799 309 E CB -0.132 29.439 29.700 -0.215 0.000 0.748 309 E HN 0.535 nan 8.360 nan 0.000 0.449 310 K N -0.369 119.957 120.400 -0.124 0.000 2.009 310 K HA -0.158 4.162 4.320 0.001 0.000 0.210 310 K C 2.077 178.651 176.600 -0.044 0.000 1.049 310 K CA 2.029 58.269 56.287 -0.079 0.000 0.929 310 K CB -0.167 32.290 32.500 -0.072 0.000 0.714 310 K HN 0.112 nan 8.250 nan 0.000 0.440 311 T N 1.663 116.212 114.554 -0.007 0.000 2.788 311 T HA -0.105 4.245 4.350 0.001 0.000 0.268 311 T C 1.642 176.338 174.700 -0.007 0.000 1.044 311 T CA 0.884 63.014 62.100 0.050 0.000 1.139 311 T CB -0.048 68.935 68.868 0.192 0.000 0.867 311 T HN 0.062 nan 8.240 nan 0.000 0.454 312 L N 0.523 121.702 121.223 -0.072 0.000 2.156 312 L HA 0.189 4.530 4.340 0.001 0.000 0.208 312 L C 2.220 179.055 176.870 -0.060 0.000 1.095 312 L CA 1.089 55.828 54.840 -0.169 0.000 0.770 312 L CB -1.150 40.773 42.059 -0.227 0.000 0.914 312 L HN 0.268 nan 8.230 nan 0.000 0.439 313 L N -0.873 120.322 121.223 -0.048 0.000 2.017 313 L HA -0.235 4.105 4.340 0.001 0.000 0.208 313 L C 2.460 179.333 176.870 0.005 0.000 1.073 313 L CA 1.249 56.077 54.840 -0.020 0.000 0.745 313 L CB -0.350 41.684 42.059 -0.041 0.000 0.894 313 L HN 0.313 nan 8.230 nan 0.000 0.432 314 E N -0.136 120.064 120.200 -0.000 0.000 2.085 314 E HA -0.250 4.101 4.350 0.001 0.000 0.194 314 E C 2.278 178.904 176.600 0.043 0.000 0.994 314 E CA 1.196 57.603 56.400 0.012 0.000 0.801 314 E CB -0.210 29.493 29.700 0.005 0.000 0.743 314 E HN 0.517 nan 8.360 nan 0.000 0.453 315 A N 0.884 123.745 122.820 0.067 0.000 1.908 315 A HA -0.159 4.162 4.320 0.001 0.000 0.218 315 A C 2.482 180.181 177.584 0.191 0.000 1.181 315 A CA 1.257 53.385 52.037 0.151 0.000 0.627 315 A CB -0.639 18.459 19.000 0.163 0.000 0.818 315 A HN 0.133 nan 8.150 nan 0.000 0.445 316 V N -0.357 119.657 119.914 0.168 0.000 2.515 316 V HA -0.195 3.926 4.120 0.001 0.000 0.250 316 V C 2.957 179.106 176.094 0.092 0.000 1.058 316 V CA 1.729 64.123 62.300 0.157 0.000 1.064 316 V CB -0.984 30.916 31.823 0.129 0.000 0.675 316 V HN 0.620 nan 8.190 nan 0.000 0.461 317 A N -0.361 122.497 122.820 0.063 0.000 1.929 317 A HA -0.152 4.168 4.320 0.001 0.000 0.216 317 A C 2.283 179.887 177.584 0.033 0.000 1.176 317 A CA 1.577 53.637 52.037 0.038 0.000 0.628 317 A CB -0.226 18.787 19.000 0.021 0.000 0.816 317 A HN 0.535 nan 8.150 nan 0.000 0.444 318 K N -1.134 119.290 120.400 0.041 0.000 2.284 318 K HA 0.298 4.618 4.320 0.001 0.000 0.198 318 K C -0.058 176.556 176.600 0.023 0.000 1.048 318 K CA 0.048 56.349 56.287 0.023 0.000 0.987 318 K CB 0.059 32.567 32.500 0.013 0.000 0.800 318 K HN 0.355 nan 8.250 nan 0.000 0.486 319 L N 2.146 123.400 121.223 0.050 0.000 2.360 319 L HA 0.325 4.665 4.340 0.001 0.000 0.271 319 L C -2.260 174.618 176.870 0.013 0.000 1.057 319 L CA -2.540 52.316 54.840 0.027 0.000 0.803 319 L CB 0.532 42.632 42.059 0.068 0.000 1.207 319 L HN -0.156 nan 8.230 nan 0.000 0.445 320 P HA -0.001 nan 4.420 nan 0.000 0.266 320 P C 0.594 177.893 177.300 -0.002 0.000 1.193 320 P CA 0.036 63.126 63.100 -0.017 0.000 0.770 320 P CB 0.438 32.112 31.700 -0.043 0.000 0.836 321 T N 0.668 115.231 114.554 0.015 0.000 2.737 321 T HA -0.219 4.131 4.350 0.001 0.000 0.269 321 T C 1.569 176.283 174.700 0.023 0.000 1.040 321 T CA 1.597 63.716 62.100 0.032 0.000 1.142 321 T CB -0.350 68.545 68.868 0.045 0.000 0.861 321 T HN 0.450 nan 8.240 nan 0.000 0.456 322 Q N 0.604 120.406 119.800 0.003 0.000 2.436 322 Q HA 0.047 4.388 4.340 0.001 0.000 0.209 322 Q C 1.790 177.744 176.000 -0.076 0.000 0.965 322 Q CA 1.045 56.837 55.803 -0.019 0.000 0.910 322 Q CB 0.018 28.740 28.738 -0.026 0.000 0.980 322 Q HN 0.301 nan 8.270 nan 0.000 0.491 323 K N -1.119 119.230 120.400 -0.085 0.000 2.361 323 K HA 0.104 4.425 4.320 0.001 0.000 0.194 323 K C 0.786 177.277 176.600 -0.182 0.000 1.032 323 K CA 1.071 57.280 56.287 -0.129 0.000 1.048 323 K CB 0.811 33.198 32.500 -0.187 0.000 0.842 323 K HN 0.270 nan 8.250 nan 0.000 0.526 324 T N -2.172 112.296 114.554 -0.144 0.000 3.252 324 T HA 0.228 4.579 4.350 0.001 0.000 0.286 324 T C 0.948 175.564 174.700 -0.140 0.000 1.013 324 T CA -0.408 61.571 62.100 -0.202 0.000 0.914 324 T CB 0.494 69.421 68.868 0.100 0.000 1.131 324 T HN -0.118 nan 8.240 nan 0.000 0.529 325 E N 1.318 121.439 120.200 -0.133 0.000 2.077 325 E HA -0.070 4.280 4.350 0.001 0.000 0.193 325 E C 2.108 178.640 176.600 -0.114 0.000 0.989 325 E CA 1.043 57.435 56.400 -0.013 0.000 0.800 325 E CB -0.145 29.599 29.700 0.073 0.000 0.746 325 E HN 0.448 nan 8.360 nan 0.000 0.452 326 V N 1.139 120.827 119.914 -0.377 0.000 2.379 326 V HA -0.201 3.920 4.120 0.001 0.000 0.245 326 V C 2.172 178.112 176.094 -0.258 0.000 1.044 326 V CA 1.291 63.183 62.300 -0.680 0.000 1.036 326 V CB -0.618 30.798 31.823 -0.679 0.000 0.664 326 V HN 0.082 nan 8.190 nan 0.000 0.453 327 F N 1.024 120.875 119.950 -0.165 0.000 2.120 327 F HA -0.148 4.380 4.527 0.001 0.000 0.300 327 F C 2.553 178.308 175.800 -0.076 0.000 1.095 327 F CA 1.254 59.200 58.000 -0.089 0.000 1.249 327 F CB -1.099 37.891 39.000 -0.017 0.000 0.995 327 F HN 0.096 nan 8.300 nan 0.000 0.480 328 R N -0.267 120.316 120.500 0.138 0.000 2.148 328 R HA -0.027 4.313 4.340 0.001 0.000 0.223 328 R C 2.561 178.893 176.300 0.053 0.000 1.088 328 R CA 0.873 57.025 56.100 0.086 0.000 0.985 328 R CB -0.894 29.458 30.300 0.087 0.000 0.880 328 R HN 0.376 nan 8.270 nan 0.000 0.451 329 G N 0.383 109.219 108.800 0.060 0.000 2.402 329 G HA2 -0.193 3.767 3.960 0.001 0.000 0.216 329 G HA3 -0.193 3.767 3.960 0.001 0.000 0.216 329 G C 1.426 176.324 174.900 -0.003 0.000 1.162 329 G CA 0.543 45.701 45.100 0.097 0.000 0.777 329 G HN 0.101 nan 8.290 nan 0.000 0.539 330 V N 1.021 120.907 119.914 -0.046 0.000 2.287 330 V HA -0.150 3.970 4.120 0.001 0.000 0.248 330 V C 2.916 178.953 176.094 -0.096 0.000 1.053 330 V CA 1.505 63.752 62.300 -0.089 0.000 1.027 330 V CB -0.479 31.315 31.823 -0.048 0.000 0.646 330 V HN 0.336 nan 8.190 nan 0.000 0.447 331 L N -0.188 120.998 121.223 -0.062 0.000 2.083 331 L HA -0.185 4.155 4.340 0.001 0.000 0.209 331 L C 2.659 179.470 176.870 -0.099 0.000 1.083 331 L CA 1.698 56.485 54.840 -0.089 0.000 0.752 331 L CB -0.524 41.506 42.059 -0.048 0.000 0.899 331 L HN 0.372 nan 8.230 nan 0.000 0.433 332 E N -0.128 120.041 120.200 -0.052 0.000 2.110 332 E HA -0.220 4.131 4.350 0.001 0.000 0.193 332 E C 2.212 178.810 176.600 -0.003 0.000 0.988 332 E CA 1.276 57.660 56.400 -0.026 0.000 0.804 332 E CB 0.026 29.731 29.700 0.009 0.000 0.745 332 E HN 0.307 nan 8.360 nan 0.000 0.458 333 Q N -0.056 119.744 119.800 0.001 0.000 2.079 333 Q HA -0.043 4.297 4.340 0.001 0.000 0.200 333 Q C 2.431 178.501 176.000 0.117 0.000 0.974 333 Q CA 1.009 56.859 55.803 0.079 0.000 0.840 333 Q CB -0.304 28.454 28.738 0.033 0.000 0.898 333 Q HN 0.392 nan 8.270 nan 0.000 0.430 334 L N 0.219 121.402 121.223 -0.066 0.000 2.275 334 L HA -0.101 4.239 4.340 0.001 0.000 0.215 334 L C 2.549 179.326 176.870 -0.155 0.000 1.119 334 L CA 0.601 55.333 54.840 -0.180 0.000 0.790 334 L CB -0.321 41.550 42.059 -0.315 0.000 0.919 334 L HN 0.150 nan 8.230 nan 0.000 0.443 335 R N -0.265 120.066 120.500 -0.283 0.000 2.096 335 R HA -0.142 4.199 4.340 0.001 0.000 0.235 335 R C 0.048 175.977 176.300 -0.619 0.000 1.127 335 R CA 1.381 57.108 56.100 -0.622 0.000 0.968 335 R CB -0.032 29.635 30.300 -1.054 0.000 0.861 335 R HN 0.344 nan 8.270 nan 0.000 0.440 336 W N -0.659 120.684 121.300 0.072 0.000 2.165 336 W HA 0.256 4.916 4.660 0.001 0.000 0.288 336 W C 0.037 176.615 176.519 0.098 0.000 0.900 336 W CA -0.924 56.444 57.345 0.039 0.000 1.914 336 W CB 0.303 29.752 29.460 -0.019 0.000 2.091 336 W HN -0.038 nan 8.180 nan 0.000 0.399 337 F N 0.701 120.719 119.950 0.114 0.000 1.901 337 F HA 0.736 5.264 4.527 0.001 0.000 0.239 337 F C 0.659 176.489 175.800 0.051 0.000 1.133 337 F CA 0.536 58.568 58.000 0.053 0.000 1.271 337 F CB 0.212 39.205 39.000 -0.012 0.000 1.652 337 F HN -0.030 nan 8.300 nan 0.000 0.543 338 A N -0.101 122.927 122.820 0.348 0.000 2.467 338 A HA 0.581 4.902 4.320 0.001 0.000 0.301 338 A C -0.693 176.992 177.584 0.168 0.000 1.126 338 A CA -0.255 51.917 52.037 0.225 0.000 0.632 338 A CB -0.138 19.038 19.000 0.295 0.000 1.331 338 A HN 0.584 nan 8.150 nan 0.000 0.482 339 G N -0.513 108.369 108.800 0.136 0.000 2.616 339 G HA2 0.438 4.398 3.960 0.001 0.000 0.268 339 G HA3 0.438 4.398 3.960 0.001 0.000 0.268 339 G C 0.392 175.330 174.900 0.064 0.000 1.213 339 G CA -0.240 44.917 45.100 0.095 0.000 0.926 339 G HN 0.640 nan 8.290 nan 0.000 0.523 340 K N -0.188 120.222 120.400 0.016 0.000 2.160 340 K HA -0.170 4.151 4.320 0.001 0.000 0.206 340 K C 2.533 179.163 176.600 0.050 0.000 1.047 340 K CA 1.480 57.767 56.287 -0.000 0.000 0.930 340 K CB -0.283 32.189 32.500 -0.047 0.000 0.720 340 K HN 0.520 nan 8.250 nan 0.000 0.450 341 Q N 0.280 120.127 119.800 0.080 0.000 2.084 341 Q HA -0.087 4.254 4.340 0.001 0.000 0.202 341 Q C 2.251 178.326 176.000 0.126 0.000 0.978 341 Q CA 1.175 57.047 55.803 0.116 0.000 0.844 341 Q CB -0.260 28.550 28.738 0.120 0.000 0.898 341 Q HN 0.050 nan 8.270 nan 0.000 0.426 342 V N 0.456 120.439 119.914 0.116 0.000 2.379 342 V HA -0.174 3.947 4.120 0.001 0.000 0.243 342 V C 1.885 178.032 176.094 0.089 0.000 1.035 342 V CA 1.485 63.859 62.300 0.124 0.000 1.035 342 V CB -0.334 31.582 31.823 0.155 0.000 0.673 342 V HN 0.283 nan 8.190 nan 0.000 0.457 343 K N 0.187 120.620 120.400 0.055 0.000 2.152 343 K HA -0.148 4.173 4.320 0.001 0.000 0.206 343 K C 2.234 178.792 176.600 -0.070 0.000 1.048 343 K CA 1.682 57.945 56.287 -0.041 0.000 0.933 343 K CB -0.275 32.169 32.500 -0.092 0.000 0.721 343 K HN 0.335 nan 8.250 nan 0.000 0.447 344 S N 0.388 116.076 115.700 -0.020 0.000 2.481 344 S HA -0.065 4.405 4.470 0.001 0.000 0.231 344 S C 1.816 176.346 174.600 -0.117 0.000 0.996 344 S CA 1.160 59.315 58.200 -0.075 0.000 0.942 344 S CB 0.150 63.411 63.200 0.101 0.000 0.768 344 S HN 0.339 nan 8.310 nan 0.000 0.520 345 V N -2.499 117.417 119.914 0.003 0.000 3.473 345 V HA 0.585 4.705 4.120 0.001 0.000 0.253 345 V C 0.661 176.766 176.094 0.018 0.000 1.340 345 V CA 0.071 62.391 62.300 0.032 0.000 1.103 345 V CB -0.602 31.306 31.823 0.143 0.000 0.881 345 V HN 0.236 nan 8.190 nan 0.000 0.451 346 A N 2.781 125.617 122.820 0.025 0.000 2.522 346 A HA 0.560 4.881 4.320 0.001 0.000 0.256 346 A C 0.730 178.300 177.584 -0.024 0.000 1.086 346 A CA 0.814 52.869 52.037 0.030 0.000 0.763 346 A CB -0.427 18.617 19.000 0.074 0.000 1.024 346 A HN 1.136 nan 8.150 nan 0.000 0.502 347 S N 3.074 118.767 115.700 -0.012 0.000 2.646 347 S HA 0.427 4.898 4.470 0.001 0.000 0.276 347 S C 1.073 175.653 174.600 -0.033 0.000 1.222 347 S CA -0.708 57.469 58.200 -0.039 0.000 1.014 347 S CB 0.984 64.169 63.200 -0.024 0.000 0.991 347 S HN 0.720 nan 8.310 nan 0.000 0.533 348 L N 1.648 122.832 121.223 -0.065 0.000 2.027 348 L HA 0.057 4.398 4.340 0.001 0.000 0.206 348 L C 2.394 179.272 176.870 0.013 0.000 1.074 348 L CA 2.070 56.880 54.840 -0.050 0.000 0.745 348 L CB -1.336 40.642 42.059 -0.134 0.000 0.898 348 L HN 1.017 nan 8.230 nan 0.000 0.433 349 G N -1.037 107.757 108.800 -0.010 0.000 2.422 349 G HA2 -0.202 3.759 3.960 0.001 0.000 0.218 349 G HA3 -0.202 3.759 3.960 0.001 0.000 0.218 349 G C 1.476 176.402 174.900 0.043 0.000 1.140 349 G CA 0.610 45.717 45.100 0.011 0.000 0.775 349 G HN 0.545 nan 8.290 nan 0.000 0.545 350 G N 0.863 109.681 108.800 0.030 0.000 2.440 350 G HA2 -0.327 3.634 3.960 0.001 0.000 0.218 350 G HA3 -0.327 3.634 3.960 0.001 0.000 0.218 350 G C 1.713 176.661 174.900 0.080 0.000 1.154 350 G CA 1.163 46.287 45.100 0.039 0.000 0.767 350 G HN 0.488 nan 8.290 nan 0.000 0.552 351 N N 0.586 119.352 118.700 0.111 0.000 2.142 351 N HA -0.054 4.686 4.740 0.001 0.000 0.186 351 N C 2.365 177.989 175.510 0.191 0.000 1.023 351 N CA 0.965 54.109 53.050 0.156 0.000 0.852 351 N CB -0.130 38.479 38.487 0.204 0.000 0.998 351 N HN 0.387 nan 8.380 nan 0.000 0.424 352 I N 1.017 121.724 120.570 0.228 0.000 2.179 352 I HA -0.250 3.921 4.170 0.001 0.000 0.242 352 I C 2.041 178.366 176.117 0.346 0.000 1.088 352 I CA 0.789 62.285 61.300 0.326 0.000 1.357 352 I CB -0.131 38.027 38.000 0.263 0.000 1.051 352 I HN 0.130 nan 8.210 nan 0.000 0.409 353 I N 0.259 120.960 120.570 0.217 0.000 2.439 353 I HA -0.168 4.003 4.170 0.001 0.000 0.251 353 I C 2.571 178.753 176.117 0.108 0.000 1.139 353 I CA 1.398 62.795 61.300 0.162 0.000 1.438 353 I CB -1.644 36.403 38.000 0.079 0.000 1.085 353 I HN 0.223 nan 8.210 nan 0.000 0.427 354 T N 1.452 116.056 114.554 0.083 0.000 2.699 354 T HA -0.133 4.218 4.350 0.001 0.000 0.268 354 T C 1.324 176.029 174.700 0.008 0.000 1.036 354 T CA 1.581 63.700 62.100 0.032 0.000 1.147 354 T CB -0.362 68.528 68.868 0.037 0.000 0.862 354 T HN 0.552 nan 8.240 nan 0.000 0.446 355 A N 1.380 124.240 122.820 0.066 0.000 2.791 355 A HA -0.140 4.180 4.320 0.001 0.000 0.292 355 A C 0.909 178.404 177.584 -0.148 0.000 1.487 355 A CA 0.709 52.757 52.037 0.018 0.000 0.760 355 A CB -2.225 16.895 19.000 0.201 0.000 1.031 355 A HN 0.592 nan 8.150 nan 0.000 0.503 356 S N -0.260 115.368 115.700 -0.120 0.000 2.562 356 S HA 0.431 4.901 4.470 0.001 0.000 0.281 356 S C -0.414 174.106 174.600 -0.132 0.000 1.333 356 S CA -0.500 57.624 58.200 -0.127 0.000 1.052 356 S CB 0.569 63.733 63.200 -0.061 0.000 0.884 356 S HN 0.320 nan 8.310 nan 0.000 0.506 357 P HA -0.050 nan 4.420 nan 0.000 0.221 357 P C 0.661 177.934 177.300 -0.044 0.000 1.145 357 P CA 0.912 63.987 63.100 -0.041 0.000 0.795 357 P CB -0.216 31.525 31.700 0.068 0.000 0.775 358 I N -5.188 115.361 120.570 -0.035 0.000 3.914 358 I HA 0.256 4.427 4.170 0.001 0.000 0.333 358 I C 0.509 176.589 176.117 -0.062 0.000 1.449 358 I CA -1.037 60.242 61.300 -0.036 0.000 1.135 358 I CB -1.020 36.965 38.000 -0.024 0.000 1.073 358 I HN -0.291 nan 8.210 nan 0.000 0.401 359 S N 1.581 117.236 115.700 -0.075 0.000 2.593 359 S HA -0.072 4.399 4.470 0.001 0.000 0.300 359 S C 1.012 175.578 174.600 -0.056 0.000 1.267 359 S CA 0.286 58.449 58.200 -0.061 0.000 1.065 359 S CB 0.137 63.307 63.200 -0.051 0.000 0.807 359 S HN 0.476 nan 8.310 nan 0.000 0.499 360 D N 3.975 124.354 120.400 -0.035 0.000 2.333 360 D HA 0.052 4.693 4.640 0.001 0.000 0.208 360 D C 1.629 177.894 176.300 -0.058 0.000 0.984 360 D CA 0.611 54.601 54.000 -0.016 0.000 0.873 360 D CB 0.151 40.974 40.800 0.038 0.000 0.935 360 D HN 0.526 nan 8.370 nan 0.000 0.521 361 L N 0.550 121.728 121.223 -0.076 0.000 2.202 361 L HA 0.003 4.344 4.340 0.001 0.000 0.205 361 L C 1.984 178.541 176.870 -0.522 0.000 1.083 361 L CA 0.424 55.017 54.840 -0.413 0.000 0.790 361 L CB -0.230 41.611 42.059 -0.364 0.000 0.942 361 L HN -0.136 nan 8.230 nan 0.000 0.452 362 N N 0.282 118.901 118.700 -0.134 0.000 2.223 362 N HA -0.102 4.638 4.740 0.001 0.000 0.185 362 N C -0.890 174.652 175.510 0.053 0.000 1.016 362 N CA 1.202 54.297 53.050 0.075 0.000 0.863 362 N CB -1.190 37.336 38.487 0.065 0.000 0.983 362 N HN 0.233 nan 8.380 nan 0.000 0.429 363 P HA -0.028 nan 4.420 nan 0.000 0.218 363 P C 1.693 178.999 177.300 0.010 0.000 1.149 363 P CA 0.591 63.683 63.100 -0.014 0.000 0.817 363 P CB 0.175 31.834 31.700 -0.069 0.000 0.785 364 V N -1.174 118.703 119.914 -0.061 0.000 2.323 364 V HA -0.185 3.935 4.120 0.001 0.000 0.244 364 V C 2.183 178.354 176.094 0.127 0.000 1.041 364 V CA 1.673 64.008 62.300 0.058 0.000 1.025 364 V CB -1.295 30.433 31.823 -0.159 0.000 0.656 364 V HN 0.044 nan 8.190 nan 0.000 0.451 365 F N -1.103 118.891 119.950 0.074 0.000 2.234 365 F HA -0.178 4.349 4.527 0.001 0.000 0.299 365 F C 2.437 178.269 175.800 0.054 0.000 1.087 365 F CA 1.424 59.441 58.000 0.027 0.000 1.340 365 F CB -0.191 38.815 39.000 0.011 0.000 1.031 365 F HN 0.119 nan 8.300 nan 0.000 0.500 366 M N 0.438 120.211 119.600 0.290 0.000 2.098 366 M HA -0.127 4.354 4.480 0.001 0.000 0.262 366 M C 2.477 178.888 176.300 0.185 0.000 1.072 366 M CA 1.823 57.262 55.300 0.233 0.000 1.133 366 M CB -0.227 32.532 32.600 0.266 0.000 1.344 366 M HN 0.118 nan 8.290 nan 0.000 0.414 367 A N -0.110 122.821 122.820 0.185 0.000 2.024 367 A HA -0.151 4.170 4.320 0.001 0.000 0.220 367 A C 2.050 179.797 177.584 0.271 0.000 1.164 367 A CA 2.048 54.189 52.037 0.175 0.000 0.643 367 A CB -0.880 18.170 19.000 0.083 0.000 0.806 367 A HN 0.717 nan 8.150 nan 0.000 0.451 368 S N -1.901 113.967 115.700 0.280 0.000 2.575 368 S HA 0.384 4.854 4.470 0.001 0.000 0.215 368 S C 1.305 175.943 174.600 0.064 0.000 0.966 368 S CA 0.880 59.167 58.200 0.145 0.000 0.911 368 S CB -0.429 62.736 63.200 -0.059 0.000 0.780 368 S HN 1.864 nan 8.310 nan 0.000 0.514 369 G N 1.556 110.402 108.800 0.076 0.000 2.283 369 G HA2 -0.263 3.698 3.960 0.001 0.000 0.280 369 G HA3 -0.263 3.698 3.960 0.001 0.000 0.280 369 G C 0.134 175.016 174.900 -0.030 0.000 1.029 369 G CA 0.434 45.546 45.100 0.021 0.000 0.840 369 G HN 0.570 nan 8.290 nan 0.000 0.505 370 T N 1.139 115.679 114.554 -0.023 0.000 2.946 370 T HA 0.283 4.634 4.350 0.001 0.000 0.311 370 T C 0.795 175.383 174.700 -0.186 0.000 1.063 370 T CA 0.288 62.322 62.100 -0.110 0.000 1.139 370 T CB 0.563 69.342 68.868 -0.148 0.000 0.994 370 T HN 0.201 nan 8.240 nan 0.000 0.547 371 K N 3.968 124.251 120.400 -0.194 0.000 2.276 371 K HA 0.351 4.672 4.320 0.001 0.000 0.285 371 K C -0.309 176.151 176.600 -0.233 0.000 1.062 371 K CA -0.214 55.961 56.287 -0.188 0.000 0.918 371 K CB 0.773 33.187 32.500 -0.144 0.000 1.055 371 K HN 0.493 nan 8.250 nan 0.000 0.477 372 L N 2.463 123.535 121.223 -0.250 0.000 2.287 372 L HA 0.347 4.688 4.340 0.001 0.000 0.287 372 L C 0.211 176.981 176.870 -0.166 0.000 1.022 372 L CA -0.624 54.062 54.840 -0.256 0.000 0.814 372 L CB 1.470 43.301 42.059 -0.381 0.000 1.217 372 L HN 0.380 nan 8.230 nan 0.000 0.420 373 T N 4.706 119.181 114.554 -0.133 0.000 2.749 373 T HA 0.614 4.965 4.350 0.001 0.000 0.287 373 T C -0.113 174.546 174.700 -0.069 0.000 0.970 373 T CA -0.140 61.904 62.100 -0.093 0.000 0.980 373 T CB 0.805 69.621 68.868 -0.088 0.000 0.924 373 T HN 0.283 nan 8.240 nan 0.000 0.456 374 I N 4.018 124.558 120.570 -0.049 0.000 2.465 374 I HA 0.591 4.761 4.170 0.001 0.000 0.291 374 I C -0.144 175.957 176.117 -0.026 0.000 1.014 374 I CA -1.124 60.160 61.300 -0.027 0.000 1.093 374 I CB 1.864 39.863 38.000 -0.001 0.000 1.267 374 I HN 0.374 nan 8.210 nan 0.000 0.431 375 V N 1.832 121.730 119.914 -0.025 0.000 3.001 375 V HA 0.853 4.973 4.120 0.001 0.000 0.314 375 V C -0.553 175.527 176.094 -0.024 0.000 1.099 375 V CA -0.425 61.859 62.300 -0.025 0.000 0.989 375 V CB 1.946 33.753 31.823 -0.028 0.000 1.040 375 V HN 0.709 nan 8.190 nan 0.000 0.434 376 S N 0.615 116.301 115.700 -0.023 0.000 2.579 376 S HA 0.525 4.996 4.470 0.001 0.000 0.272 376 S C -0.569 174.018 174.600 -0.022 0.000 1.141 376 S CA -0.949 57.237 58.200 -0.023 0.000 0.843 376 S CB 1.902 65.089 63.200 -0.022 0.000 1.122 376 S HN 1.172 nan 8.310 nan 0.000 0.468 377 R N 1.109 121.596 120.500 -0.022 0.000 2.486 377 R HA 0.218 4.559 4.340 0.001 0.000 0.303 377 R C 1.271 177.559 176.300 -0.019 0.000 0.958 377 R CA 1.696 57.784 56.100 -0.020 0.000 1.077 377 R CB -0.659 29.628 30.300 -0.021 0.000 0.921 377 R HN 1.166 nan 8.270 nan 0.000 0.406 378 G N 2.969 111.759 108.800 -0.017 0.000 2.216 378 G HA2 -0.363 3.598 3.960 0.001 0.000 0.269 378 G HA3 -0.363 3.598 3.960 0.001 0.000 0.269 378 G C 0.144 175.034 174.900 -0.018 0.000 0.981 378 G CA 1.169 46.259 45.100 -0.017 0.000 0.658 378 G HN 0.869 nan 8.290 nan 0.000 0.539 379 T N -3.211 111.331 114.554 -0.019 0.000 2.924 379 T HA 0.767 5.118 4.350 0.001 0.000 0.291 379 T C -0.581 174.106 174.700 -0.021 0.000 1.045 379 T CA -0.139 61.949 62.100 -0.020 0.000 1.015 379 T CB 2.703 71.560 68.868 -0.019 0.000 1.103 379 T HN 1.086 nan 8.240 nan 0.000 0.496 380 R N 1.324 121.811 120.500 -0.022 0.000 2.678 380 R HA 0.446 4.786 4.340 0.001 0.000 0.267 380 R C -1.264 175.020 176.300 -0.027 0.000 1.173 380 R CA -0.668 55.416 56.100 -0.026 0.000 1.061 380 R CB 1.082 31.365 30.300 -0.027 0.000 1.262 380 R HN 1.022 nan 8.270 nan 0.000 0.427 381 R N 1.746 122.228 120.500 -0.030 0.000 2.771 381 R HA 0.606 4.946 4.340 0.001 0.000 0.274 381 R C -1.450 174.823 176.300 -0.045 0.000 0.987 381 R CA -0.973 55.108 56.100 -0.033 0.000 0.908 381 R CB 2.326 32.611 30.300 -0.026 0.000 1.213 381 R HN 0.397 nan 8.270 nan 0.000 0.468 382 T N 1.750 116.273 114.554 -0.051 0.000 2.809 382 T HA 0.438 4.789 4.350 0.001 0.000 0.284 382 T C -0.455 174.202 174.700 -0.071 0.000 0.992 382 T CA -0.651 61.407 62.100 -0.070 0.000 0.957 382 T CB 1.408 70.233 68.868 -0.072 0.000 0.942 382 T HN 0.519 nan 8.240 nan 0.000 0.439 383 V N 1.693 121.550 119.914 -0.094 0.000 2.735 383 V HA 0.797 4.918 4.120 0.001 0.000 0.310 383 V C -2.855 173.157 176.094 -0.137 0.000 1.061 383 V CA -3.173 59.071 62.300 -0.093 0.000 0.913 383 V CB 1.829 33.608 31.823 -0.073 0.000 1.005 383 V HN 0.541 nan 8.190 nan 0.000 0.428 384 P HA 0.187 nan 4.420 nan 0.000 0.271 384 P C -0.262 176.946 177.300 -0.153 0.000 1.216 384 P CA -0.278 62.753 63.100 -0.115 0.000 0.771 384 P CB 0.805 32.470 31.700 -0.058 0.000 0.864 385 M N 3.691 123.167 119.600 -0.206 0.000 2.238 385 M HA 0.063 4.544 4.480 0.001 0.000 0.350 385 M C -0.004 176.276 176.300 -0.034 0.000 1.321 385 M CA 0.958 56.120 55.300 -0.231 0.000 1.097 385 M CB -0.042 32.433 32.600 -0.209 0.000 1.713 385 M HN 0.453 nan 8.290 nan 0.000 0.455 386 D N 2.782 123.193 120.400 0.019 0.000 2.752 386 D HA 0.110 4.751 4.640 0.001 0.000 0.313 386 D C 0.719 177.121 176.300 0.170 0.000 1.225 386 D CA -0.317 53.752 54.000 0.114 0.000 0.976 386 D CB 0.001 40.851 40.800 0.084 0.000 1.443 386 D HN 0.742 nan 8.370 nan 0.000 0.515 387 H N -1.144 118.020 119.070 0.157 0.000 2.489 387 H HA -0.102 4.455 4.556 0.001 0.000 0.295 387 H C 1.109 176.548 175.328 0.186 0.000 1.082 387 H CA 2.093 58.257 56.048 0.194 0.000 1.295 387 H CB -0.849 29.000 29.762 0.145 0.000 1.380 387 H HN 0.491 nan 8.280 nan 0.000 0.548 388 T N -2.869 111.460 114.554 -0.375 0.000 3.088 388 T HA -0.064 4.287 4.350 0.001 0.000 0.259 388 T C 1.697 176.337 174.700 -0.101 0.000 1.122 388 T CA 0.059 62.003 62.100 -0.260 0.000 1.095 388 T CB -0.836 67.853 68.868 -0.298 0.000 0.930 388 T HN 0.257 nan 8.240 nan 0.000 0.508 389 F N 1.681 121.472 119.950 -0.264 0.000 2.365 389 F HA 0.341 4.868 4.527 0.001 0.000 0.300 389 F C -0.102 175.345 175.800 -0.588 0.000 1.090 389 F CA -0.613 57.114 58.000 -0.454 0.000 1.408 389 F CB -0.116 38.511 39.000 -0.621 0.000 1.060 389 F HN 0.131 nan 8.300 nan 0.000 0.534 390 F N 2.305 122.249 119.950 -0.009 0.000 2.291 390 F HA 0.329 4.857 4.527 0.001 0.000 0.368 390 F C -1.527 174.250 175.800 -0.039 0.000 1.085 390 F CA -2.088 55.875 58.000 -0.061 0.000 1.165 390 F CB 0.374 39.411 39.000 0.062 0.000 1.429 390 F HN -0.172 nan 8.300 nan 0.000 0.503 391 P HA -0.039 nan 4.420 nan 0.000 0.222 391 P C 0.064 177.411 177.300 0.078 0.000 1.153 391 P CA 0.905 64.024 63.100 0.031 0.000 0.798 391 P CB 0.535 32.218 31.700 -0.028 0.000 0.796 392 S N -2.986 112.773 115.700 0.097 0.000 2.656 392 S HA 0.201 4.672 4.470 0.001 0.000 0.265 392 S C -1.241 173.445 174.600 0.144 0.000 1.132 392 S CA -1.015 57.258 58.200 0.121 0.000 0.819 392 S CB 0.047 63.306 63.200 0.098 0.000 1.119 392 S HN -0.049 nan 8.310 nan 0.000 0.476 393 Y N 2.828 123.153 120.300 0.043 0.000 2.804 393 Y HA 0.238 4.789 4.550 0.001 0.000 0.338 393 Y C 1.362 177.289 175.900 0.045 0.000 1.252 393 Y CA 1.347 59.469 58.100 0.036 0.000 1.576 393 Y CB -0.219 38.258 38.460 0.028 0.000 1.223 393 Y HN 0.857 nan 8.280 nan 0.000 0.536 394 R N 2.293 122.476 120.500 -0.528 0.000 3.758 394 R HA -0.249 4.092 4.340 0.001 0.000 0.299 394 R C -0.732 175.472 176.300 -0.158 0.000 1.182 394 R CA 1.240 57.066 56.100 -0.456 0.000 0.809 394 R CB -1.227 28.634 30.300 -0.732 0.000 1.249 394 R HN 0.636 nan 8.270 nan 0.000 0.497 395 K N -0.080 120.289 120.400 -0.052 0.000 2.385 395 K HA 0.421 4.742 4.320 0.001 0.000 0.248 395 K C 0.243 176.814 176.600 -0.049 0.000 0.955 395 K CA -0.406 55.858 56.287 -0.039 0.000 0.816 395 K CB 2.124 34.604 32.500 -0.033 0.000 1.250 395 K HN 0.118 nan 8.250 nan 0.000 0.434 396 T N -1.928 112.499 114.554 -0.211 0.000 2.938 396 T HA 0.366 4.717 4.350 0.001 0.000 0.285 396 T C 0.896 175.231 174.700 -0.609 0.000 1.028 396 T CA -0.931 60.785 62.100 -0.640 0.000 1.005 396 T CB 0.568 68.962 68.868 -0.789 0.000 1.157 396 T HN 0.429 nan 8.240 nan 0.000 0.550 397 L N 0.448 121.120 121.223 -0.917 0.000 2.650 397 L HA 0.228 4.569 4.340 0.001 0.000 0.235 397 L C 0.375 177.083 176.870 -0.270 0.000 1.149 397 L CA -0.004 54.558 54.840 -0.462 0.000 0.887 397 L CB -0.604 41.250 42.059 -0.341 0.000 1.021 397 L HN 0.409 nan 8.230 nan 0.000 0.441 398 L N -0.328 120.748 121.223 -0.245 0.000 2.439 398 L HA 0.262 4.603 4.340 0.001 0.000 0.269 398 L C 1.051 177.871 176.870 -0.084 0.000 1.179 398 L CA -0.192 54.590 54.840 -0.096 0.000 0.828 398 L CB 0.219 42.249 42.059 -0.049 0.000 1.106 398 L HN 0.014 nan 8.230 nan 0.000 0.467 399 G N 1.210 109.977 108.800 -0.054 0.000 2.547 399 G HA2 0.378 4.338 3.960 0.001 0.000 0.291 399 G HA3 0.378 4.338 3.960 0.001 0.000 0.291 399 G C -1.941 172.936 174.900 -0.038 0.000 1.211 399 G CA -0.937 44.136 45.100 -0.045 0.000 0.950 399 G HN 0.498 nan 8.290 nan 0.000 0.504 400 P HA 0.068 nan 4.420 nan 0.000 0.229 400 P C 0.868 178.152 177.300 -0.026 0.000 1.160 400 P CA 0.918 64.002 63.100 -0.026 0.000 0.777 400 P CB 0.401 32.091 31.700 -0.017 0.000 0.814 401 E N -0.714 119.470 120.200 -0.027 0.000 2.481 401 E HA 0.080 4.431 4.350 0.001 0.000 0.198 401 E C 0.123 176.705 176.600 -0.029 0.000 1.027 401 E CA -0.049 56.335 56.400 -0.027 0.000 0.900 401 E CB 0.192 29.876 29.700 -0.027 0.000 0.993 401 E HN 0.436 nan 8.360 nan 0.000 0.482 402 E N 1.124 121.307 120.200 -0.029 0.000 2.277 402 E HA 0.387 4.738 4.350 0.001 0.000 0.274 402 E C -0.381 176.202 176.600 -0.028 0.000 1.022 402 E CA -0.598 55.786 56.400 -0.026 0.000 0.853 402 E CB 1.468 31.156 29.700 -0.020 0.000 1.086 402 E HN 0.043 nan 8.360 nan 0.000 0.397 403 I N -0.967 119.587 120.570 -0.026 0.000 2.892 403 I HA 0.401 4.572 4.170 0.001 0.000 0.306 403 I C -1.088 175.017 176.117 -0.019 0.000 1.078 403 I CA -1.351 59.932 61.300 -0.029 0.000 1.032 403 I CB 1.025 39.001 38.000 -0.040 0.000 1.229 403 I HN 0.291 nan 8.210 nan 0.000 0.435 404 L N 4.205 125.419 121.223 -0.014 0.000 2.281 404 L HA 0.377 4.718 4.340 0.001 0.000 0.285 404 L C 0.273 177.122 176.870 -0.036 0.000 1.074 404 L CA 0.026 54.856 54.840 -0.018 0.000 0.817 404 L CB 1.101 43.158 42.059 -0.003 0.000 1.168 404 L HN 0.873 nan 8.230 nan 0.000 0.434 405 L N 3.911 125.107 121.223 -0.045 0.000 2.200 405 L HA 0.395 4.736 4.340 0.001 0.000 0.200 405 L C 0.541 177.377 176.870 -0.056 0.000 1.072 405 L CA 1.330 56.142 54.840 -0.046 0.000 0.787 405 L CB -0.017 42.015 42.059 -0.046 0.000 0.957 405 L HN 0.855 nan 8.230 nan 0.000 0.459 406 S N -1.659 113.995 115.700 -0.076 0.000 2.588 406 S HA 0.662 5.132 4.470 0.001 0.000 0.269 406 S C -0.979 173.543 174.600 -0.129 0.000 1.157 406 S CA -0.754 57.393 58.200 -0.088 0.000 0.824 406 S CB 1.488 64.633 63.200 -0.092 0.000 1.126 406 S HN -0.040 nan 8.310 nan 0.000 0.464 407 I N 0.977 121.465 120.570 -0.137 0.000 2.512 407 I HA 0.453 4.624 4.170 0.001 0.000 0.287 407 I C -0.543 175.470 176.117 -0.173 0.000 1.069 407 I CA -0.129 61.041 61.300 -0.218 0.000 1.056 407 I CB 2.037 39.841 38.000 -0.327 0.000 1.229 407 I HN 0.842 nan 8.210 nan 0.000 0.429 408 E N 6.947 127.025 120.200 -0.202 0.000 2.092 408 E HA 0.491 4.842 4.350 0.001 0.000 0.271 408 E C -0.996 175.509 176.600 -0.159 0.000 0.919 408 E CA -0.547 55.746 56.400 -0.179 0.000 0.760 408 E CB 0.949 30.543 29.700 -0.175 0.000 1.106 408 E HN 0.502 nan 8.360 nan 0.000 0.408 409 I N 7.590 128.112 120.570 -0.081 0.000 2.352 409 I HA 0.229 4.400 4.170 0.001 0.000 0.290 409 I C -1.929 174.212 176.117 0.039 0.000 1.036 409 I CA -2.024 59.291 61.300 0.025 0.000 1.336 409 I CB 0.908 39.018 38.000 0.184 0.000 1.407 409 I HN 0.366 nan 8.210 nan 0.000 0.497 410 P HA 0.112 nan 4.420 nan 0.000 0.278 410 P C -1.033 176.062 177.300 -0.342 0.000 1.238 410 P CA -0.257 62.736 63.100 -0.178 0.000 0.794 410 P CB 0.471 32.091 31.700 -0.133 0.000 0.955 411 Y N -0.050 120.115 120.300 -0.225 0.000 2.597 411 Y HA 0.012 4.563 4.550 0.001 0.000 0.336 411 Y C 1.893 177.607 175.900 -0.310 0.000 1.216 411 Y CA 0.225 58.101 58.100 -0.374 0.000 1.463 411 Y CB 0.248 38.593 38.460 -0.192 0.000 1.303 411 Y HN 0.303 nan 8.280 nan 0.000 0.576 412 S N 2.952 118.546 115.700 -0.176 0.000 2.565 412 S HA 0.314 4.785 4.470 0.001 0.000 0.276 412 S C 0.097 174.624 174.600 -0.122 0.000 1.326 412 S CA -0.687 57.416 58.200 -0.162 0.000 1.045 412 S CB 0.310 63.400 63.200 -0.183 0.000 0.918 412 S HN 0.560 nan 8.310 nan 0.000 0.505 413 R N 1.575 121.995 120.500 -0.132 0.000 2.602 413 R HA 0.397 4.738 4.340 0.001 0.000 0.237 413 R C -0.098 176.094 176.300 -0.179 0.000 1.219 413 R CA -0.964 55.060 56.100 -0.126 0.000 1.121 413 R CB 0.289 30.528 30.300 -0.101 0.000 1.408 413 R HN 0.573 nan 8.270 nan 0.000 0.559 414 E N 1.733 121.846 120.200 -0.144 0.000 2.398 414 E HA -0.044 4.306 4.350 0.001 0.000 0.263 414 E C -0.319 176.159 176.600 -0.202 0.000 1.046 414 E CA 0.449 56.758 56.400 -0.153 0.000 0.908 414 E CB 0.273 29.923 29.700 -0.083 0.000 0.963 414 E HN 0.533 nan 8.360 nan 0.000 0.431 415 D N 0.647 120.886 120.400 -0.268 0.000 3.076 415 D HA -0.213 4.428 4.640 0.001 0.000 0.218 415 D C -0.009 176.012 176.300 -0.465 0.000 1.156 415 D CA 1.228 55.088 54.000 -0.234 0.000 0.921 415 D CB -0.857 39.936 40.800 -0.011 0.000 1.113 415 D HN 0.559 nan 8.370 nan 0.000 0.418 416 E N -0.375 119.361 120.200 -0.773 0.000 2.191 416 E HA 0.539 4.890 4.350 0.001 0.000 0.263 416 E C -0.917 175.213 176.600 -0.782 0.000 0.881 416 E CA -0.518 55.529 56.400 -0.588 0.000 0.757 416 E CB 1.048 30.576 29.700 -0.287 0.000 1.147 416 E HN -0.088 nan 8.360 nan 0.000 0.414 417 F N 3.283 123.259 119.950 0.043 0.000 2.593 417 F HA 0.624 5.152 4.527 0.001 0.000 0.320 417 F C -0.728 175.229 175.800 0.261 0.000 1.060 417 F CA -0.986 57.072 58.000 0.096 0.000 0.940 417 F CB 1.647 40.641 39.000 -0.009 0.000 1.268 417 F HN 0.383 nan 8.300 nan 0.000 0.475 418 F N 0.478 120.609 119.950 0.302 0.000 2.596 418 F HA 0.650 5.178 4.527 0.001 0.000 0.311 418 F C -0.860 175.010 175.800 0.118 0.000 1.116 418 F CA -0.297 57.805 58.000 0.170 0.000 0.957 418 F CB 1.925 40.935 39.000 0.017 0.000 1.250 418 F HN 0.371 nan 8.300 nan 0.000 0.444 419 S N 2.774 118.233 115.700 -0.401 0.000 2.570 419 S HA 0.933 5.404 4.470 0.001 0.000 0.286 419 S C -1.245 172.863 174.600 -0.821 0.000 1.099 419 S CA -0.641 57.271 58.200 -0.481 0.000 0.913 419 S CB 1.875 64.794 63.200 -0.469 0.000 1.085 419 S HN 0.837 nan 8.310 nan 0.000 0.480 420 A N 1.962 124.355 122.820 -0.711 0.000 2.371 420 A HA 0.914 5.234 4.320 0.001 0.000 0.311 420 A C -1.422 175.613 177.584 -0.915 0.000 1.068 420 A CA -0.533 51.126 52.037 -0.630 0.000 0.744 420 A CB 0.609 19.485 19.000 -0.207 0.000 1.239 420 A HN 0.657 nan 8.150 nan 0.000 0.435 421 F N 0.575 120.260 119.950 -0.441 0.000 2.588 421 F HA 0.711 5.238 4.527 0.001 0.000 0.314 421 F C 0.100 175.515 175.800 -0.641 0.000 1.069 421 F CA -0.636 56.948 58.000 -0.692 0.000 0.931 421 F CB 2.665 40.764 39.000 -1.500 0.000 1.260 421 F HN 0.584 nan 8.300 nan 0.000 0.465 422 K N 2.149 122.437 120.400 -0.187 0.000 2.535 422 K HA 0.497 4.818 4.320 0.001 0.000 0.251 422 K C -1.959 174.747 176.600 0.178 0.000 0.942 422 K CA -0.697 55.605 56.287 0.026 0.000 0.798 422 K CB 2.096 34.636 32.500 0.067 0.000 1.267 422 K HN 0.589 nan 8.250 nan 0.000 0.434 423 Q N 3.070 123.070 119.800 0.333 0.000 2.310 423 Q HA 0.662 5.003 4.340 0.001 0.000 0.270 423 Q C -1.719 174.349 176.000 0.113 0.000 1.025 423 Q CA -0.318 55.623 55.803 0.230 0.000 0.772 423 Q CB 2.084 30.977 28.738 0.258 0.000 1.253 423 Q HN 0.769 nan 8.270 nan 0.000 0.450 424 A N 2.007 124.874 122.820 0.078 0.000 3.837 424 A HA 0.692 5.013 4.320 0.001 0.000 0.159 424 A C 0.347 177.997 177.584 0.110 0.000 1.157 424 A CA 0.054 52.132 52.037 0.068 0.000 0.890 424 A CB 0.506 19.512 19.000 0.011 0.000 1.553 424 A HN 0.662 nan 8.150 nan 0.000 0.642 425 S N -1.054 114.684 115.700 0.063 0.000 2.470 425 S HA 0.213 4.683 4.470 0.001 0.000 0.222 425 S C 0.826 175.418 174.600 -0.013 0.000 1.024 425 S CA 0.337 58.567 58.200 0.050 0.000 0.931 425 S CB 0.003 63.224 63.200 0.036 0.000 0.791 425 S HN 0.530 nan 8.310 nan 0.000 0.513 426 R N 0.445 120.915 120.500 -0.051 0.000 2.651 426 R HA 0.407 4.748 4.340 0.001 0.000 0.278 426 R C 0.540 176.750 176.300 -0.151 0.000 1.010 426 R CA -0.650 55.387 56.100 -0.104 0.000 0.896 426 R CB 0.940 31.179 30.300 -0.101 0.000 1.211 426 R HN -0.038 nan 8.270 nan 0.000 0.456 427 R N 1.066 121.402 120.500 -0.273 0.000 2.080 427 R HA -0.119 4.222 4.340 0.001 0.000 0.236 427 R C -0.202 175.985 176.300 -0.188 0.000 1.137 427 R CA 1.607 57.423 56.100 -0.473 0.000 0.943 427 R CB -0.073 29.671 30.300 -0.928 0.000 0.846 427 R HN 0.536 nan 8.270 nan 0.000 0.431 428 E N 0.869 121.040 120.200 -0.048 0.000 2.313 428 E HA 0.007 4.358 4.350 0.001 0.000 0.276 428 E C -0.495 176.155 176.600 0.084 0.000 1.031 428 E CA -0.091 56.392 56.400 0.138 0.000 0.857 428 E CB 0.634 30.409 29.700 0.124 0.000 1.040 428 E HN 0.051 nan 8.360 nan 0.000 0.408 429 D N 1.878 122.350 120.400 0.120 0.000 2.740 429 D HA -0.218 4.423 4.640 0.001 0.000 0.231 429 D C -1.227 175.079 176.300 0.010 0.000 1.194 429 D CA 0.897 54.936 54.000 0.066 0.000 0.673 429 D CB -0.661 40.191 40.800 0.087 0.000 0.995 429 D HN 0.376 nan 8.370 nan 0.000 0.411 430 D N -0.309 120.081 120.400 -0.016 0.000 2.581 430 D HA 0.455 5.096 4.640 0.001 0.000 0.232 430 D C -0.075 176.188 176.300 -0.061 0.000 1.143 430 D CA -0.694 53.285 54.000 -0.035 0.000 0.881 430 D CB 1.129 41.911 40.800 -0.030 0.000 1.500 430 D HN 0.143 nan 8.370 nan 0.000 0.458 431 I N 1.820 122.362 120.570 -0.046 0.000 2.436 431 I HA 0.314 4.484 4.170 0.001 0.000 0.289 431 I C 0.851 176.953 176.117 -0.026 0.000 1.083 431 I CA -0.482 60.787 61.300 -0.052 0.000 1.372 431 I CB 0.916 38.898 38.000 -0.029 0.000 1.408 431 I HN 0.398 nan 8.210 nan 0.000 0.516 432 A N 6.502 129.301 122.820 -0.034 0.000 2.587 432 A HA -0.007 4.313 4.320 0.001 0.000 0.235 432 A C 1.198 178.785 177.584 0.005 0.000 1.044 432 A CA 0.059 52.098 52.037 0.004 0.000 0.754 432 A CB 0.228 19.236 19.000 0.013 0.000 0.968 432 A HN 0.718 nan 8.150 nan 0.000 0.509 433 K N 0.844 121.247 120.400 0.005 0.000 2.044 433 K HA 0.165 4.486 4.320 0.001 0.000 0.204 433 K C 0.192 176.744 176.600 -0.080 0.000 1.049 433 K CA 1.151 57.406 56.287 -0.052 0.000 0.945 433 K CB -0.029 32.392 32.500 -0.133 0.000 0.724 433 K HN 0.520 nan 8.250 nan 0.000 0.440 434 V N -0.717 119.179 119.914 -0.030 0.000 2.888 434 V HA 0.456 4.577 4.120 0.001 0.000 0.309 434 V C -0.690 175.598 176.094 0.323 0.000 1.114 434 V CA -0.933 61.430 62.300 0.105 0.000 0.940 434 V CB 2.178 33.996 31.823 -0.009 0.000 1.021 434 V HN 0.114 nan 8.190 nan 0.000 0.426 435 T N 2.327 117.055 114.554 0.290 0.000 2.894 435 T HA 0.757 5.108 4.350 0.001 0.000 0.309 435 T C -1.205 173.549 174.700 0.090 0.000 1.208 435 T CA -0.081 62.114 62.100 0.157 0.000 1.016 435 T CB 1.334 70.233 68.868 0.051 0.000 1.192 435 T HN 1.479 nan 8.240 nan 0.000 0.491 436 C N 0.960 120.202 119.300 -0.097 0.000 3.285 436 C HA 0.996 5.457 4.460 0.001 0.000 0.325 436 C C -0.005 174.789 174.990 -0.327 0.000 1.304 436 C CA -0.508 58.356 59.018 -0.257 0.000 1.319 436 C CB 0.874 28.342 27.740 -0.453 0.000 1.640 436 C HN 1.224 nan 8.230 nan 0.000 0.477 437 G N 1.570 110.149 108.800 -0.368 0.000 2.590 437 G HA2 0.722 4.682 3.960 0.001 0.000 0.310 437 G HA3 0.722 4.682 3.960 0.001 0.000 0.310 437 G C -1.146 173.324 174.900 -0.717 0.000 1.347 437 G CA -0.676 44.162 45.100 -0.437 0.000 0.963 437 G HN 0.870 nan 8.290 nan 0.000 0.494 438 M N 2.078 120.928 119.600 -1.250 0.000 2.263 438 M HA 0.491 4.971 4.480 0.001 0.000 0.295 438 M C -0.449 175.043 176.300 -1.347 0.000 1.028 438 M CA -0.698 53.843 55.300 -1.264 0.000 0.921 438 M CB 3.223 34.790 32.600 -1.722 0.000 1.601 438 M HN 0.513 nan 8.290 nan 0.000 0.440 439 R N 2.038 122.198 120.500 -0.567 0.000 2.628 439 R HA 0.843 5.184 4.340 0.001 0.000 0.288 439 R C -2.130 174.267 176.300 0.162 0.000 0.980 439 R CA -0.636 55.432 56.100 -0.053 0.000 0.891 439 R CB 2.554 32.951 30.300 0.161 0.000 1.188 439 R HN 0.625 nan 8.270 nan 0.000 0.450 440 V N 5.631 125.662 119.914 0.195 0.000 2.789 440 V HA 0.631 4.752 4.120 0.001 0.000 0.311 440 V C -1.735 174.174 176.094 -0.308 0.000 1.073 440 V CA -0.875 61.356 62.300 -0.115 0.000 0.921 440 V CB 1.949 33.536 31.823 -0.393 0.000 1.009 440 V HN 0.723 nan 8.190 nan 0.000 0.426 441 L N 6.553 127.542 121.223 -0.390 0.000 2.376 441 L HA 0.709 5.050 4.340 0.001 0.000 0.275 441 L C -1.305 175.314 176.870 -0.419 0.000 0.987 441 L CA 0.086 54.728 54.840 -0.329 0.000 0.828 441 L CB 1.543 43.506 42.059 -0.159 0.000 1.249 441 L HN 0.573 nan 8.230 nan 0.000 0.409 442 F N 2.380 122.280 119.950 -0.084 0.000 2.403 442 F HA 0.505 5.033 4.527 0.001 0.000 0.326 442 F C 0.711 176.478 175.800 -0.055 0.000 1.081 442 F CA -0.574 57.390 58.000 -0.060 0.000 1.041 442 F CB 0.827 39.801 39.000 -0.042 0.000 1.234 442 F HN 0.416 nan 8.300 nan 0.000 0.503 443 Q N 1.585 121.477 119.800 0.154 0.000 2.386 443 Q HA 0.095 4.436 4.340 0.001 0.000 0.282 443 Q C -2.318 173.735 176.000 0.089 0.000 1.050 443 Q CA -1.477 54.374 55.803 0.081 0.000 0.918 443 Q CB -0.114 28.657 28.738 0.055 0.000 1.266 443 Q HN 0.191 nan 8.270 nan 0.000 0.423 444 P HA -0.016 nan 4.420 nan 0.000 0.265 444 P C 0.498 177.824 177.300 0.043 0.000 1.193 444 P CA 0.890 64.013 63.100 0.038 0.000 0.765 444 P CB 0.319 32.031 31.700 0.021 0.000 0.823 445 G N 1.811 110.632 108.800 0.035 0.000 2.200 445 G HA2 -0.267 3.694 3.960 0.001 0.000 0.267 445 G HA3 -0.267 3.694 3.960 0.001 0.000 0.267 445 G C 0.405 175.319 174.900 0.024 0.000 0.993 445 G CA 0.731 45.848 45.100 0.027 0.000 0.701 445 G HN 0.828 nan 8.290 nan 0.000 0.524 446 S N -1.682 114.038 115.700 0.033 0.000 2.798 446 S HA 0.800 5.270 4.470 0.001 0.000 0.312 446 S C 0.832 175.354 174.600 -0.130 0.000 1.122 446 S CA -0.340 57.881 58.200 0.034 0.000 0.949 446 S CB 1.531 64.799 63.200 0.113 0.000 1.235 446 S HN 0.204 nan 8.310 nan 0.000 0.552 447 M N 0.612 120.183 119.600 -0.047 0.000 2.484 447 M HA 0.295 4.776 4.480 0.001 0.000 0.307 447 M C 0.211 176.577 176.300 0.111 0.000 1.149 447 M CA -0.016 55.149 55.300 -0.225 0.000 0.972 447 M CB 0.361 32.992 32.600 0.053 0.000 1.400 447 M HN 0.686 nan 8.290 nan 0.000 0.508 448 Q N 1.837 121.651 119.800 0.023 0.000 2.303 448 Q HA 0.341 4.682 4.340 0.001 0.000 0.257 448 Q C -0.827 175.256 176.000 0.138 0.000 0.941 448 Q CA -0.374 55.201 55.803 -0.380 0.000 0.931 448 Q CB 1.628 29.922 28.738 -0.740 0.000 1.215 448 Q HN 0.086 nan 8.270 nan 0.000 0.437 449 V N 5.556 125.548 119.914 0.130 0.000 2.485 449 V HA -0.049 4.072 4.120 0.001 0.000 0.287 449 V C 1.055 177.138 176.094 -0.019 0.000 1.022 449 V CA 0.711 63.049 62.300 0.063 0.000 1.067 449 V CB 0.963 32.884 31.823 0.163 0.000 0.967 449 V HN 0.854 nan 8.190 nan 0.000 0.479 450 K N 3.839 124.199 120.400 -0.067 0.000 2.225 450 K HA 0.218 4.539 4.320 0.001 0.000 0.204 450 K C 0.421 176.997 176.600 -0.040 0.000 1.047 450 K CA 0.409 56.670 56.287 -0.042 0.000 0.970 450 K CB 0.505 32.983 32.500 -0.037 0.000 0.939 450 K HN 0.777 nan 8.250 nan 0.000 0.472 451 E N 0.565 120.720 120.200 -0.075 0.000 2.266 451 E HA 0.366 4.717 4.350 0.001 0.000 0.268 451 E C -1.845 174.736 176.600 -0.032 0.000 0.879 451 E CA -0.816 55.562 56.400 -0.037 0.000 0.762 451 E CB 2.391 32.073 29.700 -0.030 0.000 1.199 451 E HN -0.012 nan 8.360 nan 0.000 0.422 452 L N 1.811 123.057 121.223 0.038 0.000 2.470 452 L HA 0.729 5.070 4.340 0.001 0.000 0.268 452 L C -1.872 175.053 176.870 0.092 0.000 0.964 452 L CA -0.384 54.523 54.840 0.111 0.000 0.839 452 L CB 1.838 44.017 42.059 0.199 0.000 1.276 452 L HN 0.631 nan 8.230 nan 0.000 0.403 453 A N 6.076 128.942 122.820 0.076 0.000 2.353 453 A HA 0.797 5.118 4.320 0.001 0.000 0.299 453 A C -1.665 175.895 177.584 -0.040 0.000 1.089 453 A CA -0.379 51.678 52.037 0.033 0.000 0.736 453 A CB 0.962 19.985 19.000 0.039 0.000 1.195 453 A HN 0.628 nan 8.150 nan 0.000 0.447 454 L N 2.356 123.571 121.223 -0.013 0.000 2.353 454 L HA 0.414 4.754 4.340 0.001 0.000 0.270 454 L C -1.000 175.823 176.870 -0.080 0.000 1.003 454 L CA -0.409 54.374 54.840 -0.096 0.000 0.862 454 L CB 1.299 43.415 42.059 0.095 0.000 1.221 454 L HN 0.663 nan 8.230 nan 0.000 0.430 455 C N 2.557 121.715 119.300 -0.238 0.000 2.345 455 C HA 0.649 5.109 4.460 0.001 0.000 0.323 455 C C -0.369 174.498 174.990 -0.206 0.000 1.276 455 C CA -0.805 58.162 59.018 -0.085 0.000 1.543 455 C CB 0.480 28.214 27.740 -0.011 0.000 2.211 455 C HN 0.510 nan 8.230 nan 0.000 0.493 456 Y N 0.834 121.150 120.300 0.026 0.000 2.446 456 Y HA 0.645 5.196 4.550 0.001 0.000 0.345 456 Y C 0.720 176.623 175.900 0.004 0.000 0.984 456 Y CA -0.111 58.007 58.100 0.029 0.000 1.058 456 Y CB 1.760 40.243 38.460 0.039 0.000 1.220 456 Y HN 0.824 nan 8.280 nan 0.000 0.455 457 G N -0.338 108.555 108.800 0.156 0.000 2.471 457 G HA2 0.466 4.427 3.960 0.001 0.000 0.332 457 G HA3 0.466 4.427 3.960 0.001 0.000 0.332 457 G C 0.553 175.503 174.900 0.085 0.000 1.176 457 G CA -0.492 44.651 45.100 0.072 0.000 0.949 457 G HN 1.251 nan 8.290 nan 0.000 0.488 458 G N -0.168 108.652 108.800 0.033 0.000 2.148 458 G HA2 -0.227 3.733 3.960 0.001 0.000 0.254 458 G HA3 -0.227 3.733 3.960 0.001 0.000 0.254 458 G C 0.863 175.755 174.900 -0.014 0.000 0.981 458 G CA 0.826 45.931 45.100 0.008 0.000 0.670 458 G HN 0.525 nan 8.290 nan 0.000 0.528 459 M N -0.563 119.035 119.600 -0.002 0.000 2.300 459 M HA 0.639 5.119 4.480 0.001 0.000 0.313 459 M C 0.795 177.081 176.300 -0.023 0.000 0.988 459 M CA 0.757 56.032 55.300 -0.042 0.000 1.012 459 M CB 0.334 32.880 32.600 -0.091 0.000 1.586 459 M HN 1.092 nan 8.290 nan 0.000 0.562 460 A N 0.561 123.384 122.820 0.005 0.000 2.506 460 A HA 0.524 4.844 4.320 0.001 0.000 0.305 460 A C -0.662 176.949 177.584 0.045 0.000 1.166 460 A CA -0.308 51.741 52.037 0.019 0.000 0.638 460 A CB 0.188 19.209 19.000 0.034 0.000 1.336 460 A HN 0.233 nan 8.150 nan 0.000 0.493 461 D N -0.035 120.408 120.400 0.072 0.000 2.324 461 D HA 0.122 4.763 4.640 0.001 0.000 0.235 461 D C 0.532 176.950 176.300 0.195 0.000 1.095 461 D CA 0.353 54.449 54.000 0.160 0.000 0.871 461 D CB -0.133 40.752 40.800 0.141 0.000 0.906 461 D HN 0.688 nan 8.370 nan 0.000 0.522 462 R N -2.248 118.306 120.500 0.091 0.000 2.752 462 R HA 0.426 4.767 4.340 0.001 0.000 0.271 462 R C -1.197 175.077 176.300 -0.042 0.000 1.026 462 R CA -0.792 55.317 56.100 0.014 0.000 0.901 462 R CB -0.121 30.224 30.300 0.076 0.000 1.243 462 R HN -0.207 nan 8.270 nan 0.000 0.463 463 T N 2.523 116.955 114.554 -0.204 0.000 2.853 463 T HA 0.324 4.675 4.350 0.001 0.000 0.298 463 T C 0.493 175.228 174.700 0.058 0.000 0.978 463 T CA -0.023 61.998 62.100 -0.132 0.000 1.152 463 T CB -0.242 68.423 68.868 -0.339 0.000 0.914 463 T HN 0.426 nan 8.240 nan 0.000 0.539 464 I N -0.528 120.110 120.570 0.114 0.000 2.892 464 I HA 0.827 4.997 4.170 0.001 0.000 0.306 464 I C -0.234 175.991 176.117 0.180 0.000 1.078 464 I CA -1.026 60.370 61.300 0.160 0.000 1.032 464 I CB 2.410 40.483 38.000 0.121 0.000 1.229 464 I HN 0.450 nan 8.210 nan 0.000 0.435 465 S N 2.555 118.352 115.700 0.161 0.000 2.472 465 S HA 0.738 5.209 4.470 0.001 0.000 0.303 465 S C 0.053 174.703 174.600 0.084 0.000 1.099 465 S CA -0.494 57.782 58.200 0.127 0.000 1.077 465 S CB 1.505 64.767 63.200 0.103 0.000 1.031 465 S HN 0.937 nan 8.310 nan 0.000 0.487 466 A N 5.839 128.729 122.820 0.116 0.000 3.077 466 A HA 0.351 4.672 4.320 0.001 0.000 0.255 466 A C 1.125 178.716 177.584 0.013 0.000 1.728 466 A CA -0.294 51.784 52.037 0.067 0.000 1.383 466 A CB -0.918 18.148 19.000 0.109 0.000 1.097 466 A HN 0.938 nan 8.150 nan 0.000 0.634 467 L N -0.058 121.147 121.223 -0.031 0.000 2.083 467 L HA -0.172 4.169 4.340 0.001 0.000 0.209 467 L C 2.658 179.504 176.870 -0.039 0.000 1.083 467 L CA 1.404 56.209 54.840 -0.059 0.000 0.752 467 L CB -0.245 41.725 42.059 -0.147 0.000 0.899 467 L HN 0.605 nan 8.230 nan 0.000 0.433 468 K N -0.415 119.962 120.400 -0.038 0.000 2.026 468 K HA -0.157 4.164 4.320 0.001 0.000 0.208 468 K C 2.047 178.632 176.600 -0.026 0.000 1.048 468 K CA 1.915 58.185 56.287 -0.029 0.000 0.929 468 K CB -0.064 32.419 32.500 -0.028 0.000 0.713 468 K HN 0.265 nan 8.250 nan 0.000 0.439 469 T N 0.256 114.790 114.554 -0.032 0.000 2.777 469 T HA -0.113 4.238 4.350 0.001 0.000 0.266 469 T C 1.881 176.559 174.700 -0.036 0.000 1.040 469 T CA 1.958 64.029 62.100 -0.048 0.000 1.141 469 T CB -0.349 68.474 68.868 -0.076 0.000 0.868 469 T HN 0.529 nan 8.240 nan 0.000 0.444 470 T N 0.352 114.899 114.554 -0.012 0.000 2.942 470 T HA -0.035 4.315 4.350 0.001 0.000 0.265 470 T C 1.973 176.690 174.700 0.027 0.000 1.062 470 T CA 0.488 62.600 62.100 0.019 0.000 1.139 470 T CB -0.242 68.653 68.868 0.045 0.000 0.883 470 T HN 0.068 nan 8.240 nan 0.000 0.468 471 Q N 1.740 121.547 119.800 0.012 0.000 2.112 471 Q HA -0.065 4.276 4.340 0.001 0.000 0.206 471 Q C 2.236 178.248 176.000 0.020 0.000 0.987 471 Q CA 1.575 57.387 55.803 0.015 0.000 0.858 471 Q CB -0.370 28.370 28.738 0.004 0.000 0.905 471 Q HN 0.622 nan 8.270 nan 0.000 0.420 472 K N 0.160 120.567 120.400 0.013 0.000 2.360 472 K HA -0.131 4.190 4.320 0.001 0.000 0.201 472 K C 1.653 178.274 176.600 0.034 0.000 1.046 472 K CA 0.719 57.016 56.287 0.017 0.000 0.940 472 K CB 0.208 32.709 32.500 0.002 0.000 0.748 472 K HN 0.124 nan 8.250 nan 0.000 0.465 473 Q N 0.029 119.857 119.800 0.047 0.000 2.319 473 Q HA 0.169 4.509 4.340 0.001 0.000 0.209 473 Q C 0.212 176.268 176.000 0.093 0.000 0.884 473 Q CA 0.140 55.991 55.803 0.081 0.000 0.938 473 Q CB 0.430 29.232 28.738 0.106 0.000 1.098 473 Q HN 0.288 nan 8.270 nan 0.000 0.517 474 L N 0.904 122.166 121.223 0.065 0.000 2.455 474 L HA 0.011 4.351 4.340 0.001 0.000 0.272 474 L C 0.850 177.742 176.870 0.038 0.000 1.174 474 L CA 0.179 55.048 54.840 0.049 0.000 0.869 474 L CB 0.299 42.378 42.059 0.034 0.000 1.130 474 L HN 0.153 nan 8.230 nan 0.000 0.474 475 S N -0.303 115.401 115.700 0.007 0.000 2.857 475 S HA -0.141 4.330 4.470 0.001 0.000 0.268 475 S C 0.494 175.068 174.600 -0.043 0.000 1.297 475 S CA 1.037 59.218 58.200 -0.033 0.000 1.280 475 S CB -0.799 62.413 63.200 0.020 0.000 1.562 475 S HN 0.634 nan 8.310 nan 0.000 0.661 476 K N 0.245 120.669 120.400 0.040 0.000 2.117 476 K HA 0.640 4.961 4.320 0.001 0.000 0.240 476 K C -0.010 176.639 176.600 0.081 0.000 1.031 476 K CA -0.042 56.335 56.287 0.149 0.000 0.909 476 K CB 0.214 32.824 32.500 0.184 0.000 1.097 476 K HN 0.159 nan 8.250 nan 0.000 0.492 477 F N -0.610 119.494 119.950 0.256 0.000 2.507 477 F HA 0.232 4.760 4.527 0.001 0.000 0.327 477 F C 0.436 176.493 175.800 0.427 0.000 1.068 477 F CA -0.748 57.448 58.000 0.327 0.000 0.965 477 F CB 0.938 40.063 39.000 0.208 0.000 1.192 477 F HN 0.352 nan 8.300 nan 0.000 0.476 478 W N 5.689 127.234 121.300 0.409 0.000 2.666 478 W HA 0.107 4.767 4.660 0.001 0.000 0.365 478 W C -0.807 175.931 176.519 0.365 0.000 1.224 478 W CA 0.096 57.678 57.345 0.394 0.000 1.515 478 W CB -0.109 29.493 29.460 0.236 0.000 1.562 478 W HN 0.723 nan 8.180 nan 0.000 0.455 479 N N 0.758 119.670 118.700 0.353 0.000 3.039 479 N HA 0.087 4.827 4.740 0.001 0.000 0.257 479 N C 0.376 175.998 175.510 0.187 0.000 1.497 479 N CA -0.628 52.603 53.050 0.302 0.000 0.861 479 N CB 0.464 39.080 38.487 0.216 0.000 1.479 479 N HN 0.021 nan 8.380 nan 0.000 0.547 480 E N 0.034 120.321 120.200 0.144 0.000 2.097 480 E HA -0.232 4.119 4.350 0.001 0.000 0.196 480 E C 1.268 177.829 176.600 -0.065 0.000 1.000 480 E CA 1.736 58.142 56.400 0.010 0.000 0.804 480 E CB -0.011 29.721 29.700 0.053 0.000 0.740 480 E HN 0.538 nan 8.360 nan 0.000 0.454 481 K N 0.236 120.632 120.400 -0.007 0.000 2.097 481 K HA -0.053 4.268 4.320 0.001 0.000 0.205 481 K C 2.183 178.759 176.600 -0.039 0.000 1.050 481 K CA 1.199 57.478 56.287 -0.014 0.000 0.938 481 K CB -0.663 31.850 32.500 0.022 0.000 0.718 481 K HN 0.328 nan 8.250 nan 0.000 0.442 482 L N 0.161 121.364 121.223 -0.033 0.000 2.083 482 L HA -0.114 4.226 4.340 0.001 0.000 0.209 482 L C 2.072 178.845 176.870 -0.161 0.000 1.083 482 L CA 1.217 56.018 54.840 -0.065 0.000 0.752 482 L CB -0.360 41.684 42.059 -0.025 0.000 0.899 482 L HN 0.271 nan 8.230 nan 0.000 0.433 483 L N -0.087 120.949 121.223 -0.312 0.000 2.017 483 L HA -0.253 4.088 4.340 0.001 0.000 0.208 483 L C 2.452 179.253 176.870 -0.116 0.000 1.073 483 L CA 1.889 56.537 54.840 -0.321 0.000 0.745 483 L CB -0.681 40.902 42.059 -0.793 0.000 0.894 483 L HN 0.366 nan 8.230 nan 0.000 0.432 484 Q N -0.578 119.148 119.800 -0.122 0.000 2.050 484 Q HA -0.205 4.136 4.340 0.001 0.000 0.202 484 Q C 1.902 177.856 176.000 -0.077 0.000 0.980 484 Q CA 1.856 57.608 55.803 -0.085 0.000 0.840 484 Q CB -0.202 28.490 28.738 -0.076 0.000 0.898 484 Q HN 0.558 nan 8.270 nan 0.000 0.424 485 D N -0.245 120.107 120.400 -0.080 0.000 2.117 485 D HA -0.111 4.530 4.640 0.001 0.000 0.198 485 D C 1.956 178.185 176.300 -0.117 0.000 0.982 485 D CA 0.854 54.809 54.000 -0.076 0.000 0.828 485 D CB -0.101 40.667 40.800 -0.053 0.000 0.967 485 D HN 0.047 nan 8.370 nan 0.000 0.464 486 V N 0.577 120.377 119.914 -0.190 0.000 2.358 486 V HA -0.244 3.876 4.120 0.001 0.000 0.246 486 V C 2.684 178.626 176.094 -0.254 0.000 1.047 486 V CA 1.158 63.250 62.300 -0.347 0.000 1.035 486 V CB -0.469 30.847 31.823 -0.846 0.000 0.658 486 V HN 0.281 nan 8.190 nan 0.000 0.452 487 C N 0.311 119.532 119.300 -0.131 0.000 2.413 487 C HA -0.149 4.312 4.460 0.001 0.000 0.277 487 C C 3.126 178.088 174.990 -0.047 0.000 1.228 487 C CA 0.968 59.974 59.018 -0.022 0.000 1.731 487 C CB -1.371 26.424 27.740 0.091 0.000 2.042 487 C HN 0.633 nan 8.230 nan 0.000 0.468 488 A N 0.648 123.433 122.820 -0.058 0.000 1.908 488 A HA -0.000 4.320 4.320 0.001 0.000 0.218 488 A C 2.392 179.937 177.584 -0.064 0.000 1.181 488 A CA 2.245 54.248 52.037 -0.056 0.000 0.627 488 A CB -1.257 17.712 19.000 -0.053 0.000 0.818 488 A HN 0.588 nan 8.150 nan 0.000 0.445 489 G N -0.350 108.402 108.800 -0.081 0.000 2.402 489 G HA2 -0.118 3.842 3.960 0.001 0.000 0.216 489 G HA3 -0.118 3.842 3.960 0.001 0.000 0.216 489 G C 1.553 176.401 174.900 -0.086 0.000 1.162 489 G CA 0.995 46.047 45.100 -0.080 0.000 0.777 489 G HN 0.438 nan 8.290 nan 0.000 0.539 490 L N 0.708 121.867 121.223 -0.107 0.000 2.056 490 L HA -0.008 4.333 4.340 0.001 0.000 0.207 490 L C 3.383 180.187 176.870 -0.110 0.000 1.078 490 L CA 0.926 55.696 54.840 -0.118 0.000 0.749 490 L CB -0.406 41.577 42.059 -0.126 0.000 0.901 490 L HN 0.282 nan 8.230 nan 0.000 0.433 491 A N -0.516 122.255 122.820 -0.082 0.000 2.024 491 A HA -0.257 4.064 4.320 0.001 0.000 0.220 491 A C 2.305 179.851 177.584 -0.064 0.000 1.164 491 A CA 2.060 54.056 52.037 -0.069 0.000 0.643 491 A CB -0.383 18.589 19.000 -0.046 0.000 0.806 491 A HN 0.529 nan 8.150 nan 0.000 0.451 492 E N -0.972 119.191 120.200 -0.061 0.000 2.127 492 E HA -0.085 4.266 4.350 0.001 0.000 0.191 492 E C 1.992 178.561 176.600 -0.051 0.000 0.964 492 E CA 0.701 57.071 56.400 -0.049 0.000 0.832 492 E CB -0.102 29.574 29.700 -0.041 0.000 0.790 492 E HN 0.718 nan 8.360 nan 0.000 0.465 493 E N 0.291 120.455 120.200 -0.060 0.000 2.158 493 E HA -0.043 4.307 4.350 0.001 0.000 0.191 493 E C 0.657 177.217 176.600 -0.067 0.000 0.982 493 E CA 0.333 56.700 56.400 -0.055 0.000 0.823 493 E CB 0.241 29.909 29.700 -0.053 0.000 0.766 493 E HN 0.214 nan 8.360 nan 0.000 0.468 494 L N 2.759 123.921 121.223 -0.101 0.000 2.783 494 L HA 0.235 4.576 4.340 0.001 0.000 0.235 494 L C 0.035 176.840 176.870 -0.108 0.000 1.260 494 L CA -0.741 54.023 54.840 -0.128 0.000 1.184 494 L CB 0.426 42.346 42.059 -0.231 0.000 1.472 494 L HN 0.036 nan 8.230 nan 0.000 0.426 495 S N 0.865 116.522 115.700 -0.073 0.000 2.603 495 S HA 0.685 5.155 4.470 0.001 0.000 0.268 495 S C -0.313 174.254 174.600 -0.055 0.000 1.317 495 S CA -0.612 57.553 58.200 -0.058 0.000 1.012 495 S CB 1.761 64.937 63.200 -0.040 0.000 0.926 495 S HN 0.337 nan 8.310 nan 0.000 0.539 496 L N 2.051 123.245 121.223 -0.049 0.000 2.409 496 L HA 0.435 4.776 4.340 0.001 0.000 0.272 496 L C 0.190 177.042 176.870 -0.030 0.000 0.980 496 L CA -0.721 54.093 54.840 -0.043 0.000 0.826 496 L CB 2.416 44.445 42.059 -0.050 0.000 1.268 496 L HN 0.971 nan 8.230 nan 0.000 0.407 497 S N 1.589 117.274 115.700 -0.025 0.000 2.614 497 S HA 0.335 4.806 4.470 0.001 0.000 0.265 497 S C -1.982 172.608 174.600 -0.017 0.000 1.303 497 S CA -1.128 57.061 58.200 -0.019 0.000 1.000 497 S CB 0.931 64.121 63.200 -0.016 0.000 0.935 497 S HN 0.423 nan 8.310 nan 0.000 0.551 498 P HA -0.120 nan 4.420 nan 0.000 0.218 498 P C 0.618 177.913 177.300 -0.008 0.000 1.146 498 P CA 1.420 64.516 63.100 -0.007 0.000 0.813 498 P CB -0.116 31.583 31.700 -0.002 0.000 0.778 499 D N -1.651 118.743 120.400 -0.011 0.000 2.388 499 D HA 0.128 4.769 4.640 0.001 0.000 0.221 499 D C 0.207 176.492 176.300 -0.025 0.000 1.133 499 D CA -0.491 53.502 54.000 -0.012 0.000 0.831 499 D CB -0.604 40.191 40.800 -0.008 0.000 0.962 499 D HN -0.052 nan 8.370 nan 0.000 0.502 500 A N 1.534 124.335 122.820 -0.031 0.000 2.520 500 A HA 0.360 4.681 4.320 0.001 0.000 0.245 500 A C -2.125 175.423 177.584 -0.060 0.000 1.072 500 A CA -0.800 51.211 52.037 -0.044 0.000 0.761 500 A CB -0.300 18.674 19.000 -0.042 0.000 1.004 500 A HN 0.100 nan 8.150 nan 0.000 0.499 501 P HA 0.265 nan 4.420 nan 0.000 0.264 501 P C 1.138 178.374 177.300 -0.107 0.000 1.183 501 P CA 1.753 64.790 63.100 -0.105 0.000 0.763 501 P CB 0.649 32.283 31.700 -0.110 0.000 0.807 502 G N 1.599 110.309 108.800 -0.151 0.000 2.258 502 G HA2 -0.025 3.935 3.960 0.001 0.000 0.233 502 G HA3 -0.025 3.935 3.960 0.001 0.000 0.233 502 G C 0.701 175.519 174.900 -0.137 0.000 1.006 502 G CA 0.151 45.166 45.100 -0.141 0.000 0.620 502 G HN 0.998 nan 8.290 nan 0.000 0.511 503 G N 0.217 108.955 108.800 -0.102 0.000 2.575 503 G HA2 -0.009 3.952 3.960 0.001 0.000 0.267 503 G HA3 -0.009 3.952 3.960 0.001 0.000 0.267 503 G C 0.726 175.607 174.900 -0.031 0.000 1.264 503 G CA 0.926 45.985 45.100 -0.069 0.000 0.935 503 G HN 1.854 nan 8.290 nan 0.000 0.568 504 M N -1.125 118.477 119.600 0.004 0.000 2.253 504 M HA -0.187 4.294 4.480 0.001 0.000 0.195 504 M C 1.232 177.577 176.300 0.076 0.000 0.512 504 M CA 0.450 55.800 55.300 0.084 0.000 0.442 504 M CB -1.498 31.206 32.600 0.173 0.000 1.189 504 M HN 0.512 nan 8.290 nan 0.000 0.923 505 I N 0.204 120.796 120.570 0.037 0.000 2.163 505 I HA -0.181 3.989 4.170 0.001 0.000 0.240 505 I C 2.242 178.369 176.117 0.017 0.000 1.081 505 I CA 1.899 63.203 61.300 0.007 0.000 1.353 505 I CB -0.881 37.118 38.000 -0.002 0.000 1.054 505 I HN 0.504 nan 8.210 nan 0.000 0.407 506 E N 0.342 120.570 120.200 0.047 0.000 2.058 506 E HA -0.259 4.091 4.350 0.001 0.000 0.194 506 E C 2.186 178.846 176.600 0.099 0.000 0.997 506 E CA 1.268 57.700 56.400 0.054 0.000 0.801 506 E CB -0.387 29.347 29.700 0.057 0.000 0.746 506 E HN 0.307 nan 8.360 nan 0.000 0.450 507 F N 2.246 122.167 119.950 -0.048 0.000 2.065 507 F HA -0.205 4.323 4.527 0.001 0.000 0.298 507 F C 2.182 177.920 175.800 -0.103 0.000 1.112 507 F CA 1.682 59.643 58.000 -0.066 0.000 1.212 507 F CB -0.284 38.688 39.000 -0.046 0.000 0.975 507 F HN -0.191 nan 8.300 nan 0.000 0.476 508 R N -0.178 120.212 120.500 -0.183 0.000 2.073 508 R HA -0.137 4.204 4.340 0.001 0.000 0.234 508 R C 2.394 178.529 176.300 -0.276 0.000 1.134 508 R CA 1.839 57.742 56.100 -0.328 0.000 0.952 508 R CB -0.394 29.790 30.300 -0.194 0.000 0.850 508 R HN 0.265 nan 8.270 nan 0.000 0.433 509 R N -0.422 119.977 120.500 -0.170 0.000 2.081 509 R HA -0.072 4.268 4.340 0.001 0.000 0.235 509 R C 2.277 178.478 176.300 -0.164 0.000 1.131 509 R CA 1.848 57.853 56.100 -0.159 0.000 0.960 509 R CB -0.409 29.834 30.300 -0.095 0.000 0.856 509 R HN 0.203 nan 8.270 nan 0.000 0.436 510 T N 1.514 115.995 114.554 -0.121 0.000 2.788 510 T HA -0.087 4.263 4.350 0.001 0.000 0.268 510 T C 1.806 176.357 174.700 -0.248 0.000 1.044 510 T CA 0.998 63.038 62.100 -0.099 0.000 1.139 510 T CB -0.098 68.773 68.868 0.005 0.000 0.867 510 T HN 0.136 nan 8.240 nan 0.000 0.454 511 L N 1.262 122.235 121.223 -0.417 0.000 2.141 511 L HA -0.103 4.238 4.340 0.001 0.000 0.209 511 L C 3.098 179.567 176.870 -0.667 0.000 1.094 511 L CA 1.562 55.952 54.840 -0.749 0.000 0.763 511 L CB -1.093 40.352 42.059 -1.023 0.000 0.908 511 L HN 0.466 nan 8.230 nan 0.000 0.437 512 T N -1.980 112.347 114.554 -0.378 0.000 2.788 512 T HA -0.162 4.189 4.350 0.001 0.000 0.268 512 T C 1.818 176.515 174.700 -0.006 0.000 1.044 512 T CA 0.952 62.938 62.100 -0.190 0.000 1.139 512 T CB -0.396 68.151 68.868 -0.535 0.000 0.867 512 T HN 0.216 nan 8.240 nan 0.000 0.454 513 L N 0.652 121.810 121.223 -0.109 0.000 2.109 513 L HA 0.033 4.373 4.340 0.001 0.000 0.207 513 L C 3.106 179.830 176.870 -0.243 0.000 1.086 513 L CA 1.111 55.918 54.840 -0.056 0.000 0.760 513 L CB -0.831 41.217 42.059 -0.020 0.000 0.910 513 L HN 0.329 nan 8.230 nan 0.000 0.437 514 S N -0.256 115.197 115.700 -0.412 0.000 2.383 514 S HA -0.059 4.412 4.470 0.001 0.000 0.227 514 S C 1.875 176.323 174.600 -0.253 0.000 1.026 514 S CA 1.159 59.030 58.200 -0.549 0.000 0.981 514 S CB -0.202 62.716 63.200 -0.470 0.000 0.818 514 S HN 0.294 nan 8.310 nan 0.000 0.472 515 F N -0.028 119.793 119.950 -0.215 0.000 2.206 515 F HA -0.059 4.469 4.527 0.001 0.000 0.298 515 F C 2.114 177.901 175.800 -0.021 0.000 1.090 515 F CA 0.505 58.335 58.000 -0.283 0.000 1.323 515 F CB -0.249 38.756 39.000 0.007 0.000 1.028 515 F HN 0.201 nan 8.300 nan 0.000 0.492 516 F N 0.487 120.590 119.950 0.256 0.000 2.134 516 F HA -0.281 4.247 4.527 0.001 0.000 0.299 516 F C 2.133 178.132 175.800 0.333 0.000 1.097 516 F CA 1.185 59.383 58.000 0.329 0.000 1.264 516 F CB -0.784 38.380 39.000 0.273 0.000 1.001 516 F HN -0.044 nan 8.300 nan 0.000 0.479 517 F N 1.482 121.319 119.950 -0.187 0.000 2.134 517 F HA -0.146 4.381 4.527 0.001 0.000 0.299 517 F C 2.248 177.915 175.800 -0.222 0.000 1.097 517 F CA 1.864 59.690 58.000 -0.290 0.000 1.264 517 F CB -0.753 37.859 39.000 -0.647 0.000 1.001 517 F HN -0.114 nan 8.300 nan 0.000 0.479 518 K N -0.961 119.244 120.400 -0.325 0.000 2.097 518 K HA -0.208 4.113 4.320 0.001 0.000 0.206 518 K C 2.119 178.698 176.600 -0.034 0.000 1.049 518 K CA 1.608 57.679 56.287 -0.359 0.000 0.933 518 K CB -0.678 31.496 32.500 -0.544 0.000 0.717 518 K HN 0.297 nan 8.250 nan 0.000 0.442 519 F N 0.944 120.871 119.950 -0.039 0.000 2.134 519 F HA -0.248 4.280 4.527 0.001 0.000 0.299 519 F C 2.211 178.019 175.800 0.014 0.000 1.097 519 F CA 1.183 59.230 58.000 0.078 0.000 1.264 519 F CB -0.658 38.389 39.000 0.077 0.000 1.001 519 F HN 0.043 nan 8.300 nan 0.000 0.479 520 Y N 0.608 120.697 120.300 -0.351 0.000 2.145 520 Y HA -0.199 4.351 4.550 0.001 0.000 0.286 520 Y C 2.062 177.947 175.900 -0.025 0.000 1.145 520 Y CA 2.143 60.103 58.100 -0.234 0.000 1.148 520 Y CB -0.653 37.516 38.460 -0.485 0.000 0.981 520 Y HN 0.100 nan 8.280 nan 0.000 0.507 521 L N -0.849 120.214 121.223 -0.266 0.000 2.056 521 L HA -0.207 4.134 4.340 0.001 0.000 0.207 521 L C 2.334 179.062 176.870 -0.236 0.000 1.078 521 L CA 1.756 56.419 54.840 -0.295 0.000 0.749 521 L CB -1.058 40.795 42.059 -0.343 0.000 0.901 521 L HN 0.197 nan 8.230 nan 0.000 0.433 522 T N -0.407 114.038 114.554 -0.182 0.000 2.746 522 T HA -0.147 4.204 4.350 0.001 0.000 0.267 522 T C 2.012 176.534 174.700 -0.297 0.000 1.039 522 T CA 1.275 63.288 62.100 -0.146 0.000 1.142 522 T CB -0.183 68.691 68.868 0.010 0.000 0.866 522 T HN 0.061 nan 8.240 nan 0.000 0.444 523 V N 1.277 120.941 119.914 -0.417 0.000 2.453 523 V HA -0.060 4.060 4.120 0.001 0.000 0.247 523 V C 2.476 178.223 176.094 -0.578 0.000 1.048 523 V CA 1.172 63.090 62.300 -0.636 0.000 1.049 523 V CB -0.637 30.645 31.823 -0.901 0.000 0.672 523 V HN 0.430 nan 8.190 nan 0.000 0.457 524 L N -0.066 120.938 121.223 -0.365 0.000 2.013 524 L HA -0.294 4.046 4.340 0.001 0.000 0.212 524 L C 2.617 179.319 176.870 -0.279 0.000 1.073 524 L CA 2.259 56.928 54.840 -0.285 0.000 0.753 524 L CB -0.572 41.333 42.059 -0.257 0.000 0.890 524 L HN 0.325 nan 8.230 nan 0.000 0.432 525 K N 0.320 120.567 120.400 -0.256 0.000 2.057 525 K HA -0.216 4.105 4.320 0.001 0.000 0.207 525 K C 2.120 178.557 176.600 -0.272 0.000 1.049 525 K CA 1.513 57.677 56.287 -0.205 0.000 0.931 525 K CB 0.061 32.470 32.500 -0.152 0.000 0.714 525 K HN 0.174 nan 8.250 nan 0.000 0.440 526 K N 0.231 120.371 120.400 -0.434 0.000 2.155 526 K HA -0.048 4.273 4.320 0.001 0.000 0.203 526 K C 1.953 178.197 176.600 -0.594 0.000 1.052 526 K CA 0.896 56.832 56.287 -0.585 0.000 0.948 526 K CB 0.053 31.930 32.500 -1.039 0.000 0.728 526 K HN 0.161 nan 8.250 nan 0.000 0.448 527 L N -0.330 120.547 121.223 -0.577 0.000 2.313 527 L HA -0.015 4.326 4.340 0.001 0.000 0.214 527 L C 1.631 178.374 176.870 -0.211 0.000 1.119 527 L CA 0.483 55.095 54.840 -0.380 0.000 0.809 527 L CB -0.007 41.793 42.059 -0.431 0.000 0.933 527 L HN 0.167 nan 8.230 nan 0.000 0.449 528 G N 0.334 109.019 108.800 -0.191 0.000 3.639 528 G HA2 0.073 4.033 3.960 0.001 0.000 0.279 528 G HA3 0.073 4.033 3.960 0.001 0.000 0.279 528 G C 0.222 175.066 174.900 -0.093 0.000 1.312 528 G CA -0.202 44.827 45.100 -0.118 0.000 1.355 528 G HN 0.030 nan 8.290 nan 0.000 0.595 539 D N 2.963 123.357 120.400 -0.010 0.000 3.514 539 D HA -0.069 4.572 4.640 0.001 0.000 0.216 539 D C -2.274 174.070 176.300 0.073 0.000 1.299 539 D CA -0.247 53.750 54.000 -0.005 0.000 0.712 539 D CB 0.842 41.574 40.800 -0.113 0.000 0.372 539 D HN 0.281 nan 8.370 nan 0.000 0.147 540 P HA -0.030 nan 4.420 nan 0.000 0.222 540 P C 1.365 178.711 177.300 0.076 0.000 1.147 540 P CA 0.798 63.929 63.100 0.050 0.000 0.790 540 P CB 0.275 31.985 31.700 0.017 0.000 0.780 541 T N -2.033 112.592 114.554 0.118 0.000 3.035 541 T HA -0.074 4.277 4.350 0.001 0.000 0.268 541 T C 0.813 175.706 174.700 0.322 0.000 1.109 541 T CA 1.058 63.248 62.100 0.150 0.000 1.119 541 T CB -0.463 68.491 68.868 0.143 0.000 0.900 541 T HN 0.054 nan 8.240 nan 0.000 0.503 542 Y N 0.491 120.876 120.300 0.141 0.000 2.498 542 Y HA 0.131 4.681 4.550 0.001 0.000 0.259 542 Y C 2.728 178.729 175.900 0.168 0.000 1.086 542 Y CA 0.258 58.525 58.100 0.280 0.000 1.287 542 Y CB -0.457 38.168 38.460 0.275 0.000 1.146 542 Y HN 0.253 nan 8.280 nan 0.000 0.523 543 T N -2.401 112.288 114.554 0.225 0.000 2.833 543 T HA -0.200 4.151 4.350 0.001 0.000 0.269 543 T C 2.117 176.875 174.700 0.096 0.000 1.054 543 T CA 1.488 63.660 62.100 0.120 0.000 1.135 543 T CB -0.762 68.151 68.868 0.075 0.000 0.869 543 T HN 0.327 nan 8.240 nan 0.000 0.466 544 S N 2.178 117.941 115.700 0.105 0.000 2.442 544 S HA 0.127 4.598 4.470 0.001 0.000 0.236 544 S C 2.384 177.054 174.600 0.116 0.000 1.007 544 S CA 0.708 58.971 58.200 0.105 0.000 0.965 544 S CB -0.839 62.421 63.200 0.100 0.000 0.773 544 S HN 0.761 nan 8.310 nan 0.000 0.504 545 A N 2.050 124.937 122.820 0.111 0.000 2.019 545 A HA -0.029 4.291 4.320 0.001 0.000 0.219 545 A C 2.455 180.026 177.584 -0.021 0.000 1.164 545 A CA 1.870 53.920 52.037 0.022 0.000 0.644 545 A CB -1.418 17.483 19.000 -0.164 0.000 0.805 545 A HN 0.791 nan 8.150 nan 0.000 0.449 546 T N -2.389 112.168 114.554 0.005 0.000 3.113 546 T HA 0.336 4.687 4.350 0.001 0.000 0.256 546 T C 0.476 175.233 174.700 0.096 0.000 1.131 546 T CA -0.125 61.994 62.100 0.031 0.000 1.074 546 T CB -0.489 68.380 68.868 0.002 0.000 0.944 546 T HN 0.218 nan 8.240 nan 0.000 0.516 547 L N 2.008 123.293 121.223 0.105 0.000 2.305 547 L HA 0.395 4.736 4.340 0.001 0.000 0.281 547 L C -0.049 176.925 176.870 0.173 0.000 1.085 547 L CA -1.184 53.729 54.840 0.121 0.000 0.813 547 L CB 0.807 42.928 42.059 0.103 0.000 1.157 547 L HN 0.116 nan 8.230 nan 0.000 0.436 548 L N 2.977 124.312 121.223 0.186 0.000 2.417 548 L HA 0.172 4.513 4.340 0.001 0.000 0.268 548 L C -0.003 177.045 176.870 0.297 0.000 1.158 548 L CA 0.214 55.207 54.840 0.256 0.000 0.819 548 L CB 0.201 42.390 42.059 0.215 0.000 1.112 548 L HN 0.264 nan 8.230 nan 0.000 0.458 549 F N 2.729 122.830 119.950 0.252 0.000 2.623 549 F HA 0.108 4.635 4.527 0.001 0.000 0.383 549 F C 0.446 176.395 175.800 0.249 0.000 1.077 549 F CA 0.325 58.479 58.000 0.256 0.000 1.268 549 F CB 0.237 39.443 39.000 0.343 0.000 1.053 549 F HN 0.551 nan 8.300 nan 0.000 0.571 550 Q N 5.389 124.961 119.800 -0.381 0.000 2.310 550 Q HA 0.271 4.611 4.340 0.001 0.000 0.270 550 Q C -1.181 174.637 176.000 -0.303 0.000 1.025 550 Q CA -1.140 54.569 55.803 -0.157 0.000 0.772 550 Q CB 1.184 29.895 28.738 -0.044 0.000 1.253 550 Q HN 0.375 nan 8.270 nan 0.000 0.450 551 K N 2.768 123.193 120.400 0.042 0.000 2.402 551 K HA 0.092 4.413 4.320 0.001 0.000 0.285 551 K C -0.860 175.811 176.600 0.119 0.000 1.054 551 K CA 0.117 56.489 56.287 0.141 0.000 1.001 551 K CB -0.055 32.596 32.500 0.253 0.000 0.946 551 K HN 0.648 nan 8.250 nan 0.000 0.473 552 H N 3.715 122.783 119.070 -0.002 0.000 2.690 552 H HA 0.192 4.749 4.556 0.001 0.000 0.365 552 H C -1.870 173.496 175.328 0.063 0.000 1.142 552 H CA -1.072 54.987 56.048 0.019 0.000 1.417 552 H CB 0.542 30.302 29.762 -0.003 0.000 1.446 552 H HN 0.455 nan 8.280 nan 0.000 0.599 553 P HA 0.149 nan 4.420 nan 0.000 0.278 553 P C -2.655 174.683 177.300 0.063 0.000 1.238 553 P CA -1.457 61.634 63.100 -0.015 0.000 0.794 553 P CB 0.423 32.077 31.700 -0.076 0.000 0.955 554 P HA 0.334 nan 4.420 nan 0.000 0.274 554 P C -1.164 176.213 177.300 0.128 0.000 1.231 554 P CA -0.303 62.886 63.100 0.148 0.000 0.790 554 P CB 0.788 32.596 31.700 0.180 0.000 0.951 555 A N 2.530 125.434 122.820 0.140 0.000 2.402 555 A HA 0.570 4.891 4.320 0.001 0.000 0.291 555 A C -0.968 176.697 177.584 0.135 0.000 1.051 555 A CA -0.639 51.469 52.037 0.117 0.000 0.716 555 A CB 0.855 19.911 19.000 0.094 0.000 1.223 555 A HN 0.532 nan 8.150 nan 0.000 0.425 556 N N 2.188 120.959 118.700 0.118 0.000 2.296 556 N HA 0.586 5.327 4.740 0.001 0.000 0.294 556 N C -1.323 174.220 175.510 0.056 0.000 1.033 556 N CA -0.390 52.722 53.050 0.105 0.000 0.839 556 N CB 2.006 40.566 38.487 0.120 0.000 1.395 556 N HN 0.470 nan 8.380 nan 0.000 0.479 557 I N 1.857 122.444 120.570 0.028 0.000 2.466 557 I HA 0.289 4.460 4.170 0.001 0.000 0.289 557 I C -0.544 175.571 176.117 -0.003 0.000 1.026 557 I CA -0.595 60.713 61.300 0.013 0.000 1.078 557 I CB 1.910 39.917 38.000 0.013 0.000 1.249 557 I HN 0.281 nan 8.210 nan 0.000 0.429 558 Q N 5.824 125.637 119.800 0.023 0.000 2.333 558 Q HA 0.710 5.050 4.340 0.001 0.000 0.267 558 Q C -1.113 174.963 176.000 0.126 0.000 1.012 558 Q CA -0.228 55.609 55.803 0.057 0.000 0.824 558 Q CB 3.032 31.816 28.738 0.076 0.000 1.290 558 Q HN 0.491 nan 8.270 nan 0.000 0.449 559 L N 4.542 125.839 121.223 0.124 0.000 2.356 559 L HA 0.734 5.075 4.340 0.001 0.000 0.277 559 L C -0.907 176.075 176.870 0.187 0.000 0.996 559 L CA -0.820 54.062 54.840 0.070 0.000 0.822 559 L CB 0.620 42.680 42.059 0.001 0.000 1.256 559 L HN 0.692 nan 8.230 nan 0.000 0.413 560 F N 0.242 120.170 119.950 -0.038 0.000 2.789 560 F HA 0.540 5.068 4.527 0.001 0.000 0.319 560 F C -0.855 174.928 175.800 -0.029 0.000 1.168 560 F CA -1.141 56.839 58.000 -0.033 0.000 0.934 560 F CB 1.634 40.611 39.000 -0.039 0.000 1.375 560 F HN 0.292 nan 8.300 nan 0.000 0.480 561 Q N 1.544 121.418 119.800 0.123 0.000 2.278 561 Q HA 0.211 4.552 4.340 0.001 0.000 0.257 561 Q C -0.481 175.524 176.000 0.007 0.000 0.928 561 Q CA -0.715 55.086 55.803 -0.004 0.000 0.932 561 Q CB 1.113 29.877 28.738 0.043 0.000 1.221 561 Q HN 0.477 nan 8.270 nan 0.000 0.434 562 E N 1.517 121.649 120.200 -0.112 0.000 2.437 562 E HA -0.015 4.336 4.350 0.001 0.000 0.263 562 E C -0.359 176.243 176.600 0.004 0.000 1.030 562 E CA 0.089 56.456 56.400 -0.056 0.000 0.934 562 E CB 0.756 30.401 29.700 -0.090 0.000 0.943 562 E HN 0.519 nan 8.360 nan 0.000 0.444 563 V N 1.106 121.033 119.914 0.023 0.000 2.881 563 V HA 0.290 4.411 4.120 0.001 0.000 0.303 563 V C -2.109 173.983 176.094 -0.004 0.000 1.070 563 V CA -1.705 60.603 62.300 0.013 0.000 1.074 563 V CB 0.071 31.901 31.823 0.011 0.000 1.012 563 V HN 0.500 nan 8.190 nan 0.000 0.482 564 P HA 0.013 nan 4.420 nan 0.000 0.264 564 P C 0.722 178.016 177.300 -0.010 0.000 1.173 564 P CA 0.463 63.557 63.100 -0.010 0.000 0.761 564 P CB 0.238 31.932 31.700 -0.010 0.000 0.794 565 N N 2.406 121.100 118.700 -0.011 0.000 2.096 565 N HA -0.153 4.588 4.740 0.001 0.000 0.195 565 N C 1.523 177.029 175.510 -0.007 0.000 1.017 565 N CA 2.130 55.174 53.050 -0.010 0.000 0.870 565 N CB -0.539 37.941 38.487 -0.010 0.000 1.024 565 N HN 0.589 nan 8.380 nan 0.000 0.434 566 G N -0.502 108.295 108.800 -0.005 0.000 3.434 566 G HA2 0.031 3.992 3.960 0.001 0.000 0.258 566 G HA3 0.031 3.992 3.960 0.001 0.000 0.258 566 G C 0.138 175.036 174.900 -0.003 0.000 1.128 566 G CA -0.383 44.716 45.100 -0.002 0.000 0.792 566 G HN 0.393 nan 8.290 nan 0.000 0.539 567 Q N 1.188 120.983 119.800 -0.008 0.000 2.330 567 Q HA 0.255 4.595 4.340 0.001 0.000 0.279 567 Q C 0.561 176.555 176.000 -0.011 0.000 1.024 567 Q CA -0.254 55.540 55.803 -0.014 0.000 0.900 567 Q CB 0.482 29.207 28.738 -0.021 0.000 1.221 567 Q HN 0.154 nan 8.270 nan 0.000 0.396 568 S N 2.973 118.666 115.700 -0.012 0.000 2.558 568 S HA -0.046 4.425 4.470 0.001 0.000 0.291 568 S C 1.030 175.623 174.600 -0.010 0.000 1.306 568 S CA -0.193 58.002 58.200 -0.008 0.000 1.056 568 S CB 0.547 63.742 63.200 -0.008 0.000 0.836 568 S HN 0.741 nan 8.310 nan 0.000 0.504 569 K N 3.194 123.591 120.400 -0.004 0.000 2.152 569 K HA -0.093 4.228 4.320 0.001 0.000 0.206 569 K C 1.604 178.199 176.600 -0.008 0.000 1.048 569 K CA 1.552 57.838 56.287 -0.002 0.000 0.933 569 K CB -0.142 32.359 32.500 0.003 0.000 0.721 569 K HN 0.736 nan 8.250 nan 0.000 0.447 570 E N 0.577 120.768 120.200 -0.014 0.000 2.435 570 E HA -0.095 4.256 4.350 0.001 0.000 0.195 570 E C -0.003 176.577 176.600 -0.034 0.000 1.029 570 E CA 0.022 56.408 56.400 -0.023 0.000 0.865 570 E CB 0.150 29.833 29.700 -0.028 0.000 0.833 570 E HN 0.144 nan 8.360 nan 0.000 0.510 571 D N 0.685 121.062 120.400 -0.038 0.000 2.380 571 D HA -0.011 4.630 4.640 0.001 0.000 0.230 571 D C 0.690 176.957 176.300 -0.056 0.000 1.154 571 D CA -0.060 53.903 54.000 -0.061 0.000 0.859 571 D CB 1.076 41.831 40.800 -0.075 0.000 1.045 571 D HN -0.054 nan 8.370 nan 0.000 0.495 572 T N 0.206 114.729 114.554 -0.053 0.000 3.086 572 T HA 0.122 4.472 4.350 0.001 0.000 0.250 572 T C 0.810 175.481 174.700 -0.048 0.000 1.074 572 T CA -0.339 61.741 62.100 -0.034 0.000 0.988 572 T CB -0.171 68.687 68.868 -0.016 0.000 0.988 572 T HN 0.100 nan 8.240 nan 0.000 0.530 573 V N 2.284 122.143 119.914 -0.092 0.000 2.493 573 V HA 0.453 4.574 4.120 0.001 0.000 0.292 573 V C 1.687 177.735 176.094 -0.077 0.000 1.016 573 V CA 1.234 63.469 62.300 -0.110 0.000 1.097 573 V CB -0.211 31.464 31.823 -0.247 0.000 0.947 573 V HN 0.854 nan 8.190 nan 0.000 0.479 574 G N 4.679 113.454 108.800 -0.041 0.000 2.194 574 G HA2 -0.202 3.759 3.960 0.001 0.000 0.236 574 G HA3 -0.202 3.759 3.960 0.001 0.000 0.236 574 G C 0.278 175.188 174.900 0.017 0.000 0.987 574 G CA -0.070 45.025 45.100 -0.009 0.000 0.635 574 G HN 0.603 nan 8.290 nan 0.000 0.520 575 R N 0.698 121.199 120.500 0.002 0.000 2.598 575 R HA 0.481 4.821 4.340 0.001 0.000 0.279 575 R C -2.385 173.903 176.300 -0.019 0.000 0.984 575 R CA -1.753 54.362 56.100 0.026 0.000 0.999 575 R CB 1.411 31.729 30.300 0.030 0.000 1.114 575 R HN 0.015 nan 8.270 nan 0.000 0.493 576 P HA 0.038 nan 4.420 nan 0.000 0.220 576 P C -0.644 176.687 177.300 0.052 0.000 1.806 576 P CA -0.201 62.839 63.100 -0.101 0.000 0.976 576 P CB -0.136 31.476 31.700 -0.147 0.000 1.952 577 L N 2.898 124.149 121.223 0.047 0.000 2.410 577 L HA 0.367 4.708 4.340 0.001 0.000 0.273 577 L C -2.344 174.634 176.870 0.181 0.000 1.144 577 L CA -2.030 52.873 54.840 0.105 0.000 0.863 577 L CB -0.150 41.939 42.059 0.049 0.000 1.140 577 L HN -0.010 nan 8.230 nan 0.000 0.463 578 P HA -0.026 nan 4.420 nan 0.000 0.269 578 P C -0.829 176.595 177.300 0.206 0.000 1.209 578 P CA -0.045 63.230 63.100 0.291 0.000 0.776 578 P CB 0.216 31.987 31.700 0.118 0.000 0.876 579 H N 2.897 122.044 119.070 0.127 0.000 3.140 579 H HA -0.059 4.498 4.556 0.001 0.000 0.316 579 H C 1.063 176.429 175.328 0.063 0.000 0.986 579 H CA 0.739 56.833 56.048 0.076 0.000 1.397 579 H CB 0.377 30.180 29.762 0.068 0.000 1.377 579 H HN 0.381 nan 8.280 nan 0.000 0.585 580 L N 4.214 125.464 121.223 0.044 0.000 2.265 580 L HA -0.149 4.192 4.340 0.001 0.000 0.215 580 L C 2.252 179.238 176.870 0.194 0.000 1.117 580 L CA 1.308 56.208 54.840 0.100 0.000 0.782 580 L CB -0.238 41.831 42.059 0.017 0.000 0.914 580 L HN 0.626 nan 8.230 nan 0.000 0.441 581 A N -0.851 122.206 122.820 0.395 0.000 2.348 581 A HA 0.407 4.727 4.320 0.001 0.000 0.224 581 A C 2.294 179.968 177.584 0.149 0.000 1.227 581 A CA 0.628 52.816 52.037 0.252 0.000 0.885 581 A CB -0.140 19.007 19.000 0.245 0.000 0.933 581 A HN 0.263 nan 8.150 nan 0.000 0.506 582 A N 0.324 123.239 122.820 0.158 0.000 1.933 582 A HA 0.129 4.450 4.320 0.001 0.000 0.218 582 A C 2.386 179.992 177.584 0.036 0.000 1.175 582 A CA 1.904 53.963 52.037 0.036 0.000 0.628 582 A CB -0.729 18.296 19.000 0.042 0.000 0.814 582 A HN 0.987 nan 8.150 nan 0.000 0.444 583 A N -0.533 122.320 122.820 0.054 0.000 1.898 583 A HA -0.080 4.241 4.320 0.001 0.000 0.216 583 A C 2.231 179.843 177.584 0.047 0.000 1.181 583 A CA 1.732 53.796 52.037 0.045 0.000 0.620 583 A CB -0.513 18.516 19.000 0.050 0.000 0.819 583 A HN 0.524 nan 8.150 nan 0.000 0.442 584 M N -0.908 118.724 119.600 0.054 0.000 2.229 584 M HA -0.188 4.292 4.480 0.001 0.000 0.264 584 M C 2.305 178.635 176.300 0.051 0.000 1.063 584 M CA 1.384 56.712 55.300 0.047 0.000 1.114 584 M CB -0.364 32.264 32.600 0.046 0.000 1.387 584 M HN 0.480 nan 8.290 nan 0.000 0.420 585 Q N 0.168 120.002 119.800 0.056 0.000 2.124 585 Q HA -0.104 4.237 4.340 0.001 0.000 0.202 585 Q C 2.218 178.259 176.000 0.068 0.000 0.977 585 Q CA 1.640 57.493 55.803 0.085 0.000 0.850 585 Q CB -0.250 28.528 28.738 0.067 0.000 0.901 585 Q HN 0.593 nan 8.270 nan 0.000 0.429 586 A N 0.680 123.530 122.820 0.050 0.000 2.014 586 A HA -0.097 4.223 4.320 0.001 0.000 0.218 586 A C 2.087 179.698 177.584 0.046 0.000 1.163 586 A CA 1.367 53.436 52.037 0.054 0.000 0.652 586 A CB -0.207 18.825 19.000 0.053 0.000 0.808 586 A HN 0.386 nan 8.150 nan 0.000 0.449 587 S N -2.281 113.442 115.700 0.039 0.000 2.548 587 S HA 0.386 4.857 4.470 0.001 0.000 0.215 587 S C 1.401 176.010 174.600 0.015 0.000 0.976 587 S CA 1.046 59.260 58.200 0.023 0.000 0.908 587 S CB -0.122 63.092 63.200 0.023 0.000 0.781 587 S HN 1.827 nan 8.310 nan 0.000 0.519 588 G N 1.234 110.052 108.800 0.031 0.000 2.148 588 G HA2 -0.282 3.678 3.960 0.001 0.000 0.254 588 G HA3 -0.282 3.678 3.960 0.001 0.000 0.254 588 G C 0.480 175.403 174.900 0.038 0.000 0.981 588 G CA 0.504 45.622 45.100 0.031 0.000 0.670 588 G HN 0.588 nan 8.290 nan 0.000 0.528 589 E N 0.038 120.258 120.200 0.035 0.000 2.318 589 E HA 0.401 4.752 4.350 0.001 0.000 0.193 589 E C 1.781 178.390 176.600 0.015 0.000 0.998 589 E CA 0.347 56.761 56.400 0.022 0.000 0.859 589 E CB 0.170 29.879 29.700 0.016 0.000 0.812 589 E HN 0.777 nan 8.360 nan 0.000 0.492 590 A N 1.565 124.396 122.820 0.018 0.000 2.520 590 A HA 0.189 4.510 4.320 0.001 0.000 0.245 590 A C 0.074 177.590 177.584 -0.113 0.000 1.072 590 A CA -0.103 51.891 52.037 -0.073 0.000 0.761 590 A CB 0.393 19.327 19.000 -0.110 0.000 1.004 590 A HN 0.002 nan 8.150 nan 0.000 0.499 591 V N 4.162 123.966 119.914 -0.184 0.000 2.370 591 V HA 0.329 4.450 4.120 0.001 0.000 0.279 591 V C -0.604 175.353 176.094 -0.229 0.000 1.029 591 V CA -0.116 62.126 62.300 -0.097 0.000 0.870 591 V CB 0.147 31.931 31.823 -0.066 0.000 0.984 591 V HN 0.765 nan 8.190 nan 0.000 0.451 592 Y N 1.797 122.158 120.300 0.102 0.000 2.568 592 Y HA 0.328 4.879 4.550 0.001 0.000 0.327 592 Y C 1.562 177.507 175.900 0.075 0.000 1.163 592 Y CA -0.322 57.850 58.100 0.120 0.000 1.219 592 Y CB 0.790 39.408 38.460 0.264 0.000 1.308 592 Y HN 0.646 nan 8.280 nan 0.000 0.503 593 C N 0.723 120.148 119.300 0.209 0.000 2.363 593 C HA -0.285 4.176 4.460 0.001 0.000 0.274 593 C C 2.463 177.517 174.990 0.106 0.000 1.183 593 C CA 2.537 61.629 59.018 0.123 0.000 1.771 593 C CB -0.844 26.961 27.740 0.108 0.000 2.059 593 C HN 1.086 nan 8.230 nan 0.000 0.455 594 D N -0.440 120.050 120.400 0.151 0.000 2.348 594 D HA -0.059 4.582 4.640 0.001 0.000 0.216 594 D C 1.504 177.876 176.300 0.120 0.000 0.970 594 D CA 0.869 54.951 54.000 0.136 0.000 0.889 594 D CB -0.305 40.592 40.800 0.161 0.000 0.912 594 D HN 0.551 nan 8.370 nan 0.000 0.524 595 D N -0.252 120.232 120.400 0.140 0.000 2.277 595 D HA -0.011 4.630 4.640 0.001 0.000 0.208 595 D C 0.630 176.936 176.300 0.010 0.000 0.962 595 D CA 0.164 54.221 54.000 0.094 0.000 0.865 595 D CB 0.049 40.937 40.800 0.145 0.000 0.939 595 D HN 0.359 nan 8.370 nan 0.000 0.510 596 I N 2.656 123.205 120.570 -0.035 0.000 2.752 596 I HA -0.021 4.150 4.170 0.001 0.000 0.289 596 I C -1.926 174.106 176.117 -0.141 0.000 1.197 596 I CA -1.344 59.868 61.300 -0.147 0.000 1.432 596 I CB 0.133 37.968 38.000 -0.276 0.000 1.359 596 I HN -0.271 nan 8.210 nan 0.000 0.571 597 P HA 0.029 nan 4.420 nan 0.000 0.267 597 P C -0.872 176.304 177.300 -0.208 0.000 1.200 597 P CA -0.246 62.758 63.100 -0.161 0.000 0.772 597 P CB 0.380 31.968 31.700 -0.187 0.000 0.855 598 R N 1.972 122.400 120.500 -0.119 0.000 2.531 598 R HA 0.335 4.676 4.340 0.001 0.000 0.273 598 R C -0.482 175.731 176.300 -0.144 0.000 1.070 598 R CA -0.511 55.530 56.100 -0.099 0.000 1.112 598 R CB 0.103 30.412 30.300 0.015 0.000 1.049 598 R HN 0.328 nan 8.270 nan 0.000 0.508 599 Y N 0.846 121.120 120.300 -0.044 0.000 2.357 599 Y HA -0.080 4.470 4.550 0.001 0.000 0.340 599 Y C 1.825 177.717 175.900 -0.013 0.000 1.260 599 Y CA 0.377 58.458 58.100 -0.032 0.000 1.425 599 Y CB 0.955 39.393 38.460 -0.037 0.000 1.326 599 Y HN 0.812 nan 8.280 nan 0.000 0.580 600 E N 0.276 120.581 120.200 0.175 0.000 2.265 600 E HA -0.231 4.119 4.350 0.001 0.000 0.196 600 E C 0.558 177.225 176.600 0.112 0.000 0.996 600 E CA 1.489 57.953 56.400 0.106 0.000 0.832 600 E CB -0.229 29.517 29.700 0.076 0.000 0.756 600 E HN 0.723 nan 8.360 nan 0.000 0.491 601 N N 1.031 119.799 118.700 0.113 0.000 2.238 601 N HA -0.004 4.737 4.740 0.001 0.000 0.222 601 N C -0.482 175.147 175.510 0.199 0.000 1.133 601 N CA -0.191 52.934 53.050 0.124 0.000 0.854 601 N CB 0.266 38.714 38.487 -0.066 0.000 1.041 601 N HN 0.235 nan 8.380 nan 0.000 0.510 602 E N 1.031 121.301 120.200 0.117 0.000 2.338 602 E HA 0.254 4.605 4.350 0.001 0.000 0.272 602 E C -0.546 175.961 176.600 -0.155 0.000 1.029 602 E CA -0.350 56.050 56.400 -0.001 0.000 0.872 602 E CB 0.710 30.378 29.700 -0.052 0.000 1.015 602 E HN 0.229 nan 8.360 nan 0.000 0.417 603 L N 3.464 124.556 121.223 -0.218 0.000 2.335 603 L HA 0.546 4.887 4.340 0.001 0.000 0.268 603 L C -0.657 175.909 176.870 -0.505 0.000 1.016 603 L CA -1.073 53.638 54.840 -0.215 0.000 0.805 603 L CB 0.874 42.870 42.059 -0.104 0.000 1.311 603 L HN 0.550 nan 8.230 nan 0.000 0.456 604 F N 0.904 120.873 119.950 0.032 0.000 2.520 604 F HA 0.551 5.078 4.527 0.001 0.000 0.322 604 F C -0.272 175.551 175.800 0.037 0.000 1.103 604 F CA -0.472 57.554 58.000 0.043 0.000 0.926 604 F CB 1.877 40.903 39.000 0.042 0.000 1.154 604 F HN 0.148 nan 8.300 nan 0.000 0.453 605 L N 3.592 124.932 121.223 0.197 0.000 2.334 605 L HA 0.778 5.119 4.340 0.001 0.000 0.276 605 L C -0.907 176.062 176.870 0.165 0.000 1.014 605 L CA -0.742 54.184 54.840 0.143 0.000 0.815 605 L CB 1.360 43.484 42.059 0.108 0.000 1.268 605 L HN 0.691 nan 8.230 nan 0.000 0.428 606 R N 4.410 125.000 120.500 0.150 0.000 2.476 606 R HA 0.537 4.878 4.340 0.001 0.000 0.305 606 R C -1.593 174.798 176.300 0.152 0.000 0.965 606 R CA -0.436 55.755 56.100 0.152 0.000 0.867 606 R CB 1.162 31.554 30.300 0.153 0.000 1.176 606 R HN 0.699 nan 8.270 nan 0.000 0.447 607 L N 3.934 125.250 121.223 0.154 0.000 2.456 607 L HA 0.269 4.610 4.340 0.001 0.000 0.272 607 L C -0.248 176.721 176.870 0.166 0.000 1.189 607 L CA -0.452 54.486 54.840 0.164 0.000 0.846 607 L CB 0.992 43.154 42.059 0.171 0.000 1.111 607 L HN 0.340 nan 8.230 nan 0.000 0.475 608 V N 2.008 122.022 119.914 0.166 0.000 2.398 608 V HA 0.471 4.591 4.120 0.001 0.000 0.286 608 V C 0.285 176.480 176.094 0.170 0.000 1.026 608 V CA -0.417 61.991 62.300 0.180 0.000 0.868 608 V CB 1.545 33.516 31.823 0.246 0.000 0.982 608 V HN 0.935 nan 8.190 nan 0.000 0.443 609 T N 0.806 115.465 114.554 0.174 0.000 2.906 609 T HA 0.530 4.881 4.350 0.001 0.000 0.295 609 T C -0.092 174.732 174.700 0.206 0.000 1.075 609 T CA -0.660 61.554 62.100 0.190 0.000 1.005 609 T CB 1.757 70.736 68.868 0.185 0.000 1.136 609 T HN 0.561 nan 8.240 nan 0.000 0.498 610 S N 0.757 116.594 115.700 0.229 0.000 2.552 610 S HA 0.215 4.686 4.470 0.001 0.000 0.289 610 S C 1.390 176.084 174.600 0.156 0.000 1.304 610 S CA 0.205 58.559 58.200 0.258 0.000 1.063 610 S CB -0.080 63.264 63.200 0.241 0.000 0.848 610 S HN 1.018 nan 8.310 nan 0.000 0.499 611 T N 2.890 117.493 114.554 0.083 0.000 3.122 611 T HA 0.344 4.695 4.350 0.001 0.000 0.250 611 T C 0.388 174.972 174.700 -0.193 0.000 1.067 611 T CA -0.379 61.704 62.100 -0.028 0.000 0.966 611 T CB -0.032 68.846 68.868 0.016 0.000 1.002 611 T HN 0.419 nan 8.240 nan 0.000 0.542 612 R N 0.119 120.433 120.500 -0.311 0.000 2.740 612 R HA 0.758 5.099 4.340 0.001 0.000 0.282 612 R C 0.927 177.184 176.300 -0.071 0.000 0.969 612 R CA -0.297 55.633 56.100 -0.285 0.000 0.918 612 R CB 1.395 31.361 30.300 -0.558 0.000 1.175 612 R HN 0.134 nan 8.270 nan 0.000 0.464 613 A N 0.834 123.646 122.820 -0.014 0.000 2.014 613 A HA -0.069 4.251 4.320 0.001 0.000 0.218 613 A C 0.413 178.083 177.584 0.143 0.000 1.163 613 A CA 1.284 53.352 52.037 0.052 0.000 0.652 613 A CB -0.078 18.944 19.000 0.035 0.000 0.808 613 A HN 0.726 nan 8.150 nan 0.000 0.449 614 H N -2.201 116.866 119.070 -0.004 0.000 3.184 614 H HA 0.494 5.051 4.556 0.001 0.000 0.317 614 H C -1.356 173.990 175.328 0.030 0.000 1.065 614 H CA -0.160 55.907 56.048 0.032 0.000 1.462 614 H CB 0.757 30.531 29.762 0.020 0.000 2.037 614 H HN 0.450 nan 8.280 nan 0.000 0.431 615 A N 4.491 127.351 122.820 0.067 0.000 2.605 615 A HA 0.384 4.705 4.320 0.001 0.000 0.294 615 A C -1.426 176.216 177.584 0.097 0.000 1.062 615 A CA -0.997 51.060 52.037 0.033 0.000 0.682 615 A CB 1.774 20.841 19.000 0.112 0.000 1.278 615 A HN 0.560 nan 8.150 nan 0.000 0.410 616 K N 0.996 121.434 120.400 0.063 0.000 2.218 616 K HA 0.469 4.790 4.320 0.001 0.000 0.276 616 K C -0.704 175.958 176.600 0.103 0.000 1.022 616 K CA -0.020 56.309 56.287 0.069 0.000 0.946 616 K CB 0.926 33.442 32.500 0.026 0.000 1.000 616 K HN 0.542 nan 8.250 nan 0.000 0.468 617 I N 4.094 124.695 120.570 0.052 0.000 2.337 617 I HA -0.005 4.166 4.170 0.001 0.000 0.291 617 I C 1.215 177.294 176.117 -0.063 0.000 1.046 617 I CA -0.255 61.016 61.300 -0.049 0.000 1.324 617 I CB 0.710 38.674 38.000 -0.060 0.000 1.409 617 I HN 0.448 nan 8.210 nan 0.000 0.494 618 K N 3.760 124.102 120.400 -0.097 0.000 2.098 618 K HA 0.097 4.418 4.320 0.001 0.000 0.203 618 K C 0.615 177.169 176.600 -0.077 0.000 1.051 618 K CA 0.719 56.967 56.287 -0.065 0.000 0.957 618 K CB 0.045 32.515 32.500 -0.050 0.000 0.738 618 K HN 0.781 nan 8.250 nan 0.000 0.447 619 S N -0.981 114.647 115.700 -0.121 0.000 2.611 619 S HA 0.629 5.099 4.470 0.001 0.000 0.268 619 S C -0.875 173.629 174.600 -0.160 0.000 1.156 619 S CA -1.043 57.090 58.200 -0.111 0.000 0.817 619 S CB 1.484 64.628 63.200 -0.093 0.000 1.122 619 S HN -0.001 nan 8.310 nan 0.000 0.466 620 I N 1.418 121.900 120.570 -0.145 0.000 2.534 620 I HA 0.471 4.642 4.170 0.001 0.000 0.288 620 I C -1.764 174.225 176.117 -0.212 0.000 1.077 620 I CA -0.317 60.861 61.300 -0.204 0.000 1.051 620 I CB 2.077 39.964 38.000 -0.189 0.000 1.234 620 I HN 0.815 nan 8.210 nan 0.000 0.425 621 D N 5.651 125.906 120.400 -0.242 0.000 2.492 621 D HA 0.379 5.019 4.640 0.001 0.000 0.248 621 D C 0.146 176.282 176.300 -0.274 0.000 1.101 621 D CA -0.593 53.279 54.000 -0.213 0.000 0.840 621 D CB 2.099 42.805 40.800 -0.156 0.000 1.209 621 D HN 0.305 nan 8.370 nan 0.000 0.524 622 V N 1.763 121.511 119.914 -0.278 0.000 3.319 622 V HA 0.178 4.299 4.120 0.001 0.000 0.317 622 V C 1.504 177.429 176.094 -0.282 0.000 1.411 622 V CA 0.629 62.736 62.300 -0.322 0.000 1.112 622 V CB -0.447 31.178 31.823 -0.330 0.000 1.031 622 V HN 0.509 nan 8.190 nan 0.000 0.448 623 S N 0.358 115.928 115.700 -0.216 0.000 2.402 623 S HA -0.142 4.329 4.470 0.001 0.000 0.229 623 S C 1.695 176.174 174.600 -0.203 0.000 1.021 623 S CA 1.350 59.435 58.200 -0.191 0.000 0.974 623 S CB -0.338 62.782 63.200 -0.133 0.000 0.800 623 S HN 0.626 nan 8.310 nan 0.000 0.484 624 E N 1.909 121.995 120.200 -0.189 0.000 2.076 624 E HA 0.153 4.503 4.350 0.001 0.000 0.190 624 E C 2.495 178.966 176.600 -0.214 0.000 0.979 624 E CA 1.066 57.365 56.400 -0.167 0.000 0.807 624 E CB -0.838 28.788 29.700 -0.124 0.000 0.761 624 E HN 0.642 nan 8.360 nan 0.000 0.454 625 A N 1.526 124.188 122.820 -0.263 0.000 1.908 625 A HA -0.255 4.066 4.320 0.001 0.000 0.218 625 A C 2.102 179.269 177.584 -0.696 0.000 1.181 625 A CA 1.661 53.514 52.037 -0.307 0.000 0.627 625 A CB -0.676 18.197 19.000 -0.212 0.000 0.818 625 A HN 0.225 nan 8.150 nan 0.000 0.445 626 Q N -0.591 118.640 119.800 -0.949 0.000 2.376 626 Q HA -0.161 4.179 4.340 0.001 0.000 0.211 626 Q C 1.617 177.333 176.000 -0.473 0.000 0.986 626 Q CA 1.492 56.647 55.803 -1.081 0.000 0.886 626 Q CB -0.120 28.253 28.738 -0.607 0.000 0.927 626 Q HN 0.653 nan 8.270 nan 0.000 0.457 627 K N -0.304 119.914 120.400 -0.303 0.000 2.356 627 K HA 0.097 4.417 4.320 0.001 0.000 0.195 627 K C 0.074 176.607 176.600 -0.111 0.000 1.037 627 K CA -0.031 56.161 56.287 -0.159 0.000 1.014 627 K CB 0.718 33.144 32.500 -0.123 0.000 0.815 627 K HN -0.041 nan 8.250 nan 0.000 0.507 628 V N 4.355 124.204 119.914 -0.107 0.000 2.599 628 V HA 0.008 4.129 4.120 0.001 0.000 0.300 628 V C -2.205 173.829 176.094 -0.100 0.000 1.034 628 V CA -1.305 60.954 62.300 -0.068 0.000 1.115 628 V CB 0.128 31.958 31.823 0.012 0.000 0.934 628 V HN 0.084 nan 8.190 nan 0.000 0.485 629 P HA 0.191 nan 4.420 nan 0.000 0.264 629 P C 0.969 178.037 177.300 -0.387 0.000 1.183 629 P CA 1.338 64.256 63.100 -0.303 0.000 0.763 629 P CB 0.493 31.959 31.700 -0.392 0.000 0.807 630 G N 2.031 110.782 108.800 -0.082 0.000 2.179 630 G HA2 -0.307 3.653 3.960 0.001 0.000 0.260 630 G HA3 -0.307 3.653 3.960 0.001 0.000 0.260 630 G C 0.151 175.133 174.900 0.136 0.000 0.977 630 G CA -0.298 44.848 45.100 0.076 0.000 0.641 630 G HN 0.570 nan 8.290 nan 0.000 0.533 631 F N 0.951 120.898 119.950 -0.005 0.000 2.629 631 F HA 0.373 4.900 4.527 0.001 0.000 0.377 631 F C 1.328 177.144 175.800 0.027 0.000 1.101 631 F CA 1.066 59.082 58.000 0.028 0.000 1.301 631 F CB 0.920 39.926 39.000 0.010 0.000 1.062 631 F HN -0.067 nan 8.300 nan 0.000 0.583 632 V N 4.375 123.899 119.914 -0.649 0.000 2.840 632 V HA 0.108 4.229 4.120 0.001 0.000 0.234 632 V C 0.292 175.955 176.094 -0.718 0.000 1.159 632 V CA 1.032 63.051 62.300 -0.468 0.000 1.194 632 V CB 0.521 32.166 31.823 -0.296 0.000 0.971 632 V HN 1.045 nan 8.190 nan 0.000 0.494 633 C N -1.722 116.938 119.300 -1.066 0.000 3.292 633 C HA 0.687 5.148 4.460 0.001 0.000 0.338 633 C C -1.312 173.461 174.990 -0.363 0.000 1.323 633 C CA -1.357 57.286 59.018 -0.625 0.000 1.232 633 C CB 0.784 28.398 27.740 -0.209 0.000 1.517 633 C HN 0.331 nan 8.230 nan 0.000 0.470 634 F N 1.728 121.674 119.950 -0.007 0.000 2.469 634 F HA 0.851 5.379 4.527 0.001 0.000 0.332 634 F C -0.938 174.846 175.800 -0.026 0.000 1.103 634 F CA -1.170 56.860 58.000 0.049 0.000 0.979 634 F CB 0.934 40.044 39.000 0.183 0.000 1.137 634 F HN 0.729 nan 8.300 nan 0.000 0.463 635 L N 5.710 126.350 121.223 -0.972 0.000 2.346 635 L HA 0.684 5.024 4.340 0.001 0.000 0.276 635 L C -0.361 175.747 176.870 -1.269 0.000 1.006 635 L CA -0.527 53.883 54.840 -0.717 0.000 0.817 635 L CB 1.928 43.789 42.059 -0.330 0.000 1.272 635 L HN 0.861 nan 8.230 nan 0.000 0.421 636 S N 1.089 116.360 115.700 -0.714 0.000 2.819 636 S HA 0.607 5.078 4.470 0.001 0.000 0.299 636 S C 0.628 175.236 174.600 0.013 0.000 1.192 636 S CA -0.021 57.798 58.200 -0.635 0.000 0.847 636 S CB 1.279 64.303 63.200 -0.294 0.000 1.224 636 S HN 0.591 nan 8.310 nan 0.000 0.537 637 A N 0.879 123.789 122.820 0.150 0.000 1.940 637 A HA -0.086 4.235 4.320 0.001 0.000 0.219 637 A C 1.554 179.223 177.584 0.141 0.000 1.176 637 A CA 2.131 54.315 52.037 0.245 0.000 0.631 637 A CB -1.390 17.712 19.000 0.170 0.000 0.814 637 A HN 0.811 nan 8.150 nan 0.000 0.446 638 D N 0.292 120.746 120.400 0.089 0.000 2.309 638 D HA -0.102 4.538 4.640 0.001 0.000 0.212 638 D C 0.922 177.266 176.300 0.074 0.000 0.968 638 D CA 1.020 55.061 54.000 0.068 0.000 0.882 638 D CB -0.309 40.525 40.800 0.057 0.000 0.918 638 D HN 0.482 nan 8.370 nan 0.000 0.503 639 D N 0.156 120.610 120.400 0.091 0.000 2.317 639 D HA 0.006 4.647 4.640 0.001 0.000 0.211 639 D C 0.892 177.261 176.300 0.115 0.000 0.966 639 D CA 0.067 54.131 54.000 0.106 0.000 0.876 639 D CB 0.736 41.597 40.800 0.102 0.000 0.927 639 D HN 0.277 nan 8.370 nan 0.000 0.519 640 I N 3.206 123.825 120.570 0.081 0.000 2.598 640 I HA -0.034 4.137 4.170 0.001 0.000 0.284 640 I C -0.957 175.131 176.117 -0.048 0.000 1.140 640 I CA -0.951 60.344 61.300 -0.007 0.000 1.420 640 I CB 1.164 39.143 38.000 -0.036 0.000 1.387 640 I HN -0.150 nan 8.210 nan 0.000 0.553 641 P HA 0.078 nan 4.420 nan 0.000 0.234 641 P C 0.818 178.042 177.300 -0.128 0.000 1.175 641 P CA 0.521 63.540 63.100 -0.136 0.000 0.801 641 P CB 0.644 32.161 31.700 -0.305 0.000 0.891 642 G N 0.165 108.871 108.800 -0.157 0.000 2.992 642 G HA2 0.226 4.187 3.960 0.001 0.000 0.201 642 G HA3 0.226 4.187 3.960 0.001 0.000 0.201 642 G C -0.430 174.415 174.900 -0.091 0.000 2.057 642 G CA 0.130 45.159 45.100 -0.119 0.000 0.800 642 G HN 0.284 nan 8.290 nan 0.000 0.700 643 S N -0.391 115.248 115.700 -0.101 0.000 2.482 643 S HA 0.329 4.800 4.470 0.001 0.000 0.303 643 S C 0.212 174.748 174.600 -0.106 0.000 1.091 643 S CA -0.609 57.538 58.200 -0.089 0.000 1.057 643 S CB 1.556 64.701 63.200 -0.092 0.000 1.031 643 S HN 0.315 nan 8.310 nan 0.000 0.485 644 N N 2.913 121.566 118.700 -0.077 0.000 2.434 644 N HA 0.046 4.786 4.740 0.001 0.000 0.196 644 N C -0.063 175.396 175.510 -0.086 0.000 1.183 644 N CA 0.106 53.109 53.050 -0.078 0.000 0.849 644 N CB 0.136 38.610 38.487 -0.021 0.000 0.992 644 N HN 0.800 nan 8.380 nan 0.000 0.460 645 E N -0.312 119.824 120.200 -0.106 0.000 2.158 645 E HA 0.326 4.677 4.350 0.001 0.000 0.271 645 E C -0.983 175.496 176.600 -0.202 0.000 0.911 645 E CA -0.366 55.969 56.400 -0.109 0.000 0.767 645 E CB 1.283 30.940 29.700 -0.073 0.000 1.120 645 E HN 0.011 nan 8.360 nan 0.000 0.405 646 T N 2.088 116.498 114.554 -0.240 0.000 2.681 646 T HA 0.740 5.091 4.350 0.001 0.000 0.296 646 T C -0.715 173.737 174.700 -0.414 0.000 1.157 646 T CA 0.460 62.279 62.100 -0.467 0.000 1.025 646 T CB 1.215 69.810 68.868 -0.455 0.000 1.441 646 T HN 1.008 nan 8.240 nan 0.000 0.504 647 G N 0.563 109.000 108.800 -0.604 0.000 2.663 647 G HA2 0.004 3.964 3.960 0.001 0.000 0.686 647 G HA3 0.004 3.964 3.960 0.001 0.000 0.686 647 G C 0.186 175.082 174.900 -0.007 0.000 1.246 647 G CA -0.139 44.884 45.100 -0.128 0.000 0.795 647 G HN 1.013 nan 8.290 nan 0.000 0.627 648 L N 0.280 121.636 121.223 0.221 0.000 2.042 648 L HA 0.203 4.544 4.340 0.001 0.000 0.210 648 L C 2.157 178.844 176.870 -0.306 0.000 1.076 648 L CA 2.401 57.297 54.840 0.094 0.000 0.749 648 L CB -0.493 41.631 42.059 0.109 0.000 0.893 648 L HN 0.571 nan 8.230 nan 0.000 0.432 649 F N -0.792 119.184 119.950 0.044 0.000 2.639 649 F HA 0.235 4.763 4.527 0.001 0.000 0.300 649 F C 1.108 176.893 175.800 -0.025 0.000 1.109 649 F CA -0.172 57.831 58.000 0.004 0.000 1.335 649 F CB -0.670 38.317 39.000 -0.022 0.000 1.014 649 F HN 0.105 nan 8.300 nan 0.000 0.537 650 N N 0.970 119.682 118.700 0.020 0.000 2.725 650 N HA -0.216 4.525 4.740 0.001 0.000 0.249 650 N C -0.348 175.170 175.510 0.013 0.000 1.103 650 N CA 0.861 53.890 53.050 -0.035 0.000 0.707 650 N CB -0.654 37.814 38.487 -0.032 0.000 1.043 650 N HN 0.426 nan 8.380 nan 0.000 0.553 651 D N -0.759 119.668 120.400 0.044 0.000 2.462 651 D HA 0.122 4.762 4.640 0.001 0.000 0.221 651 D C -0.054 176.270 176.300 0.039 0.000 1.173 651 D CA 0.156 54.190 54.000 0.056 0.000 0.831 651 D CB 0.177 41.023 40.800 0.077 0.000 1.001 651 D HN 0.411 nan 8.370 nan 0.000 0.499 652 E N -0.150 120.054 120.200 0.006 0.000 2.336 652 E HA 0.467 4.817 4.350 0.001 0.000 0.267 652 E C -0.416 176.192 176.600 0.014 0.000 0.906 652 E CA -0.986 55.422 56.400 0.015 0.000 0.781 652 E CB 1.715 31.411 29.700 -0.008 0.000 1.261 652 E HN 0.119 nan 8.360 nan 0.000 0.436 653 T N -2.068 112.536 114.554 0.082 0.000 2.928 653 T HA 0.233 4.584 4.350 0.001 0.000 0.284 653 T C 1.040 175.750 174.700 0.016 0.000 1.008 653 T CA -0.801 61.338 62.100 0.066 0.000 1.057 653 T CB 1.293 70.249 68.868 0.146 0.000 1.018 653 T HN 0.169 nan 8.240 nan 0.000 0.493 654 V N 0.470 120.329 119.914 -0.093 0.000 2.323 654 V HA 0.153 4.273 4.120 0.001 0.000 0.244 654 V C 0.396 176.335 176.094 -0.258 0.000 1.041 654 V CA 1.120 63.269 62.300 -0.252 0.000 1.025 654 V CB -0.658 30.912 31.823 -0.422 0.000 0.656 654 V HN 0.846 nan 8.190 nan 0.000 0.451 655 F N -0.772 119.189 119.950 0.019 0.000 2.518 655 F HA 0.687 5.215 4.527 0.001 0.000 0.323 655 F C 0.381 176.177 175.800 -0.006 0.000 1.129 655 F CA -1.016 56.989 58.000 0.007 0.000 0.920 655 F CB 1.229 40.213 39.000 -0.028 0.000 1.160 655 F HN 0.019 nan 8.300 nan 0.000 0.440 656 A N 3.795 126.694 122.820 0.132 0.000 2.565 656 A HA 0.234 4.555 4.320 0.001 0.000 0.237 656 A C -0.287 177.312 177.584 0.025 0.000 1.053 656 A CA 0.152 52.144 52.037 -0.076 0.000 0.755 656 A CB 0.258 18.985 19.000 -0.454 0.000 0.980 656 A HN 0.771 nan 8.150 nan 0.000 0.506 657 K N 2.064 122.489 120.400 0.041 0.000 2.471 657 K HA 0.483 4.803 4.320 0.001 0.000 0.252 657 K C -0.389 176.238 176.600 0.046 0.000 0.938 657 K CA -0.177 56.139 56.287 0.049 0.000 0.796 657 K CB 1.081 33.619 32.500 0.064 0.000 1.161 657 K HN 0.717 nan 8.250 nan 0.000 0.425 658 D N 0.144 120.565 120.400 0.035 0.000 3.429 658 D HA -0.221 4.420 4.640 0.001 0.000 0.200 658 D C -0.050 176.283 176.300 0.055 0.000 1.351 658 D CA 2.494 56.517 54.000 0.040 0.000 2.227 658 D CB -1.076 39.752 40.800 0.047 0.000 1.277 658 D HN 0.764 nan 8.370 nan 0.000 0.455 659 T N -1.493 113.110 114.554 0.081 0.000 2.906 659 T HA 0.625 4.976 4.350 0.001 0.000 0.295 659 T C -0.177 174.606 174.700 0.139 0.000 1.061 659 T CA -0.343 61.834 62.100 0.128 0.000 1.000 659 T CB 2.770 71.740 68.868 0.170 0.000 1.103 659 T HN 0.464 nan 8.240 nan 0.000 0.486 660 V N 0.709 120.749 119.914 0.211 0.000 2.547 660 V HA 0.819 4.940 4.120 0.001 0.000 0.299 660 V C 0.693 177.065 176.094 0.464 0.000 1.040 660 V CA -0.100 62.373 62.300 0.288 0.000 0.913 660 V CB 1.124 33.096 31.823 0.247 0.000 0.992 660 V HN 1.219 nan 8.190 nan 0.000 0.449 661 T N -0.877 114.042 114.554 0.608 0.000 3.200 661 T HA 0.436 4.786 4.350 0.001 0.000 0.284 661 T C 0.154 174.893 174.700 0.066 0.000 1.009 661 T CA 0.310 62.528 62.100 0.196 0.000 0.907 661 T CB -0.756 68.131 68.868 0.031 0.000 1.120 661 T HN 1.729 nan 8.240 nan 0.000 0.534 662 C N -0.998 118.393 119.300 0.152 0.000 3.303 662 C HA 0.731 5.192 4.460 0.001 0.000 0.340 662 C C -0.497 174.572 174.990 0.132 0.000 1.274 662 C CA -1.207 57.863 59.018 0.086 0.000 1.234 662 C CB 0.831 28.583 27.740 0.021 0.000 1.532 662 C HN 0.157 nan 8.230 nan 0.000 0.483 663 V N 2.846 122.816 119.914 0.094 0.000 2.485 663 V HA 0.526 4.647 4.120 0.001 0.000 0.287 663 V C 1.557 177.730 176.094 0.131 0.000 1.022 663 V CA 2.321 64.681 62.300 0.100 0.000 1.067 663 V CB 0.276 32.146 31.823 0.078 0.000 0.967 663 V HN 2.283 nan 8.190 nan 0.000 0.479 664 G N 3.254 112.149 108.800 0.158 0.000 2.213 664 G HA2 -0.242 3.718 3.960 0.001 0.000 0.226 664 G HA3 -0.242 3.718 3.960 0.001 0.000 0.226 664 G C 0.271 175.303 174.900 0.221 0.000 0.992 664 G CA 0.165 45.366 45.100 0.168 0.000 0.632 664 G HN 0.925 nan 8.290 nan 0.000 0.511 665 H N 0.742 119.885 119.070 0.121 0.000 3.192 665 H HA 0.272 4.829 4.556 0.001 0.000 0.295 665 H C 0.659 176.083 175.328 0.161 0.000 0.943 665 H CA -0.186 55.942 56.048 0.133 0.000 1.416 665 H CB 0.131 29.974 29.762 0.135 0.000 1.434 665 H HN 0.297 nan 8.280 nan 0.000 0.565 666 I N 7.203 128.038 120.570 0.442 0.000 2.396 666 I HA -0.098 4.073 4.170 0.001 0.000 0.289 666 I C 0.933 177.194 176.117 0.240 0.000 1.056 666 I CA 0.222 61.707 61.300 0.309 0.000 1.365 666 I CB 0.935 39.138 38.000 0.338 0.000 1.407 666 I HN 0.690 nan 8.210 nan 0.000 0.509 667 I N 4.524 125.180 120.570 0.144 0.000 2.927 667 I HA 0.273 4.443 4.170 0.001 0.000 0.268 667 I C 1.213 177.236 176.117 -0.157 0.000 1.153 667 I CA 0.304 61.632 61.300 0.047 0.000 1.459 667 I CB 0.120 38.159 38.000 0.065 0.000 1.149 667 I HN 0.741 nan 8.210 nan 0.000 0.443 668 G N 0.134 108.761 108.800 -0.288 0.000 2.494 668 G HA2 0.740 4.701 3.960 0.001 0.000 0.308 668 G HA3 0.740 4.701 3.960 0.001 0.000 0.308 668 G C -2.062 172.521 174.900 -0.528 0.000 1.263 668 G CA 0.115 44.632 45.100 -0.972 0.000 0.840 668 G HN 0.201 nan 8.290 nan 0.000 0.479 669 A N -1.201 121.266 122.820 -0.588 0.000 2.540 669 A HA 0.705 5.026 4.320 0.001 0.000 0.297 669 A C -1.218 176.333 177.584 -0.056 0.000 1.056 669 A CA -0.382 51.578 52.037 -0.129 0.000 0.700 669 A CB 1.574 20.582 19.000 0.013 0.000 1.280 669 A HN 1.503 nan 8.150 nan 0.000 0.398 670 V N 1.728 121.723 119.914 0.136 0.000 2.539 670 V HA 0.540 4.660 4.120 0.001 0.000 0.292 670 V C -0.094 176.021 176.094 0.035 0.000 1.045 670 V CA -0.407 61.981 62.300 0.147 0.000 0.945 670 V CB 1.594 33.579 31.823 0.271 0.000 0.993 670 V HN 0.694 nan 8.190 nan 0.000 0.464 671 V N 3.755 123.611 119.914 -0.097 0.000 2.495 671 V HA 0.920 5.041 4.120 0.001 0.000 0.298 671 V C 0.221 176.239 176.094 -0.127 0.000 1.031 671 V CA -0.142 62.109 62.300 -0.082 0.000 0.871 671 V CB 1.304 33.050 31.823 -0.128 0.000 0.988 671 V HN 1.098 nan 8.190 nan 0.000 0.432 672 A N 2.918 125.756 122.820 0.030 0.000 2.567 672 A HA 0.689 5.010 4.320 0.001 0.000 0.289 672 A C 0.519 178.222 177.584 0.198 0.000 1.177 672 A CA -0.018 52.066 52.037 0.078 0.000 0.694 672 A CB 1.390 20.492 19.000 0.171 0.000 1.292 672 A HN 0.744 nan 8.150 nan 0.000 0.425 673 D N -0.357 120.174 120.400 0.219 0.000 2.269 673 D HA 0.016 4.657 4.640 0.001 0.000 0.208 673 D C 0.676 177.183 176.300 0.345 0.000 0.963 673 D CA 1.780 55.940 54.000 0.267 0.000 0.864 673 D CB -0.249 40.677 40.800 0.210 0.000 0.936 673 D HN 0.736 nan 8.370 nan 0.000 0.505 674 T N -4.766 109.884 114.554 0.160 0.000 2.896 674 T HA 0.441 4.792 4.350 0.001 0.000 0.297 674 T C -2.429 172.035 174.700 -0.393 0.000 1.108 674 T CA -1.607 60.310 62.100 -0.305 0.000 1.004 674 T CB 2.683 71.302 68.868 -0.416 0.000 1.159 674 T HN -0.364 nan 8.240 nan 0.000 0.499 675 P HA 0.000 nan 4.420 nan 0.000 0.219 675 P C 1.018 178.219 177.300 -0.166 0.000 1.150 675 P CA 1.066 63.948 63.100 -0.363 0.000 0.814 675 P CB 0.160 31.623 31.700 -0.394 0.000 0.787 676 E N -0.709 119.352 120.200 -0.231 0.000 2.077 676 E HA -0.193 4.158 4.350 0.001 0.000 0.193 676 E C 2.086 178.684 176.600 -0.003 0.000 0.989 676 E CA 1.320 57.638 56.400 -0.137 0.000 0.800 676 E CB -1.211 28.368 29.700 -0.201 0.000 0.746 676 E HN 0.531 nan 8.360 nan 0.000 0.452 677 H N -0.535 118.532 119.070 -0.006 0.000 2.387 677 H HA 0.009 4.566 4.556 0.001 0.000 0.299 677 H C 1.952 177.337 175.328 0.094 0.000 1.090 677 H CA 0.640 56.720 56.048 0.052 0.000 1.332 677 H CB 0.060 29.862 29.762 0.067 0.000 1.386 677 H HN 0.222 nan 8.280 nan 0.000 0.516 678 A N 1.000 123.940 122.820 0.201 0.000 1.898 678 A HA -0.207 4.114 4.320 0.001 0.000 0.216 678 A C 2.193 179.879 177.584 0.170 0.000 1.181 678 A CA 1.674 53.824 52.037 0.188 0.000 0.620 678 A CB -0.373 18.733 19.000 0.178 0.000 0.819 678 A HN 0.534 nan 8.150 nan 0.000 0.442 679 E N -0.249 120.024 120.200 0.121 0.000 2.072 679 E HA -0.212 4.139 4.350 0.001 0.000 0.191 679 E C 2.230 178.908 176.600 0.130 0.000 0.985 679 E CA 1.068 57.532 56.400 0.106 0.000 0.801 679 E CB -0.116 29.608 29.700 0.041 0.000 0.750 679 E HN 0.581 nan 8.360 nan 0.000 0.452 680 R N 0.144 120.720 120.500 0.127 0.000 2.073 680 R HA -0.112 4.228 4.340 0.001 0.000 0.234 680 R C 2.472 178.871 176.300 0.166 0.000 1.134 680 R CA 1.385 57.567 56.100 0.138 0.000 0.952 680 R CB -0.372 30.006 30.300 0.129 0.000 0.850 680 R HN 0.209 nan 8.270 nan 0.000 0.433 681 A N 1.045 123.973 122.820 0.180 0.000 1.902 681 A HA -0.108 4.213 4.320 0.001 0.000 0.217 681 A C 2.347 180.033 177.584 0.171 0.000 1.181 681 A CA 1.656 53.801 52.037 0.180 0.000 0.623 681 A CB -0.685 18.513 19.000 0.331 0.000 0.818 681 A HN 0.414 nan 8.150 nan 0.000 0.443 682 A N -1.330 121.610 122.820 0.200 0.000 1.972 682 A HA -0.230 4.090 4.320 0.001 0.000 0.219 682 A C 2.069 179.742 177.584 0.149 0.000 1.169 682 A CA 1.663 53.809 52.037 0.182 0.000 0.635 682 A CB -0.972 18.142 19.000 0.191 0.000 0.810 682 A HN 0.781 nan 8.150 nan 0.000 0.446 683 H N -1.110 118.001 119.070 0.069 0.000 2.456 683 H HA 0.007 4.564 4.556 0.001 0.000 0.296 683 H C 1.147 176.491 175.328 0.026 0.000 1.079 683 H CA 1.686 57.765 56.048 0.051 0.000 1.322 683 H CB 0.272 30.059 29.762 0.043 0.000 1.388 683 H HN 0.257 nan 8.280 nan 0.000 0.538 684 V N 1.370 121.244 119.914 -0.067 0.000 3.578 684 V HA 0.057 4.177 4.120 0.001 0.000 0.290 684 V C 0.305 176.314 176.094 -0.142 0.000 1.376 684 V CA 0.048 62.267 62.300 -0.134 0.000 1.083 684 V CB 0.703 32.499 31.823 -0.045 0.000 0.911 684 V HN 0.051 nan 8.190 nan 0.000 0.433 685 V N 2.191 122.028 119.914 -0.129 0.000 2.540 685 V HA 0.118 4.238 4.120 0.001 0.000 0.297 685 V C 0.281 176.262 176.094 -0.189 0.000 1.024 685 V CA 0.177 62.355 62.300 -0.203 0.000 1.105 685 V CB 0.963 32.642 31.823 -0.240 0.000 0.938 685 V HN 0.334 nan 8.190 nan 0.000 0.482 686 K N 5.275 125.550 120.400 -0.208 0.000 2.339 686 K HA 0.541 4.862 4.320 0.001 0.000 0.264 686 K C -1.096 175.381 176.600 -0.204 0.000 0.986 686 K CA -0.338 55.848 56.287 -0.168 0.000 0.866 686 K CB 1.362 33.778 32.500 -0.141 0.000 1.103 686 K HN 0.415 nan 8.250 nan 0.000 0.441 687 V N 3.489 123.272 119.914 -0.217 0.000 2.547 687 V HA 0.515 4.636 4.120 0.001 0.000 0.299 687 V C -0.215 175.616 176.094 -0.438 0.000 1.040 687 V CA -0.765 61.298 62.300 -0.394 0.000 0.913 687 V CB 1.902 33.383 31.823 -0.571 0.000 0.992 687 V HN 0.826 nan 8.190 nan 0.000 0.449 688 T N 4.150 118.442 114.554 -0.435 0.000 2.792 688 T HA 0.677 5.028 4.350 0.001 0.000 0.280 688 T C -1.043 173.480 174.700 -0.296 0.000 0.990 688 T CA -0.169 61.780 62.100 -0.251 0.000 0.960 688 T CB 0.684 69.473 68.868 -0.131 0.000 0.939 688 T HN 0.463 nan 8.240 nan 0.000 0.439 689 Y N 0.886 121.179 120.300 -0.013 0.000 2.621 689 Y HA 0.611 5.162 4.550 0.001 0.000 0.334 689 Y C 0.509 176.401 175.900 -0.013 0.000 1.074 689 Y CA -1.178 56.917 58.100 -0.008 0.000 1.149 689 Y CB 1.640 40.101 38.460 0.001 0.000 1.302 689 Y HN 0.501 nan 8.280 nan 0.000 0.501 690 E N 1.407 121.708 120.200 0.168 0.000 2.283 690 E HA 0.191 4.542 4.350 0.001 0.000 0.258 690 E C -1.675 174.950 176.600 0.041 0.000 0.893 690 E CA -0.771 55.674 56.400 0.074 0.000 0.798 690 E CB 0.868 30.588 29.700 0.034 0.000 1.242 690 E HN 0.578 nan 8.360 nan 0.000 0.414 691 D N 3.046 123.454 120.400 0.014 0.000 2.449 691 D HA 0.138 4.779 4.640 0.001 0.000 0.236 691 D C -0.093 176.154 176.300 -0.088 0.000 1.149 691 D CA 0.650 54.630 54.000 -0.034 0.000 0.878 691 D CB 0.750 41.533 40.800 -0.028 0.000 1.198 691 D HN 0.372 nan 8.370 nan 0.000 0.446 692 L N 2.575 123.689 121.223 -0.181 0.000 2.319 692 L HA 0.397 4.738 4.340 0.001 0.000 0.267 692 L C -2.153 174.643 176.870 -0.123 0.000 1.011 692 L CA -2.009 52.668 54.840 -0.271 0.000 0.818 692 L CB 1.821 43.453 42.059 -0.713 0.000 1.316 692 L HN 0.176 nan 8.230 nan 0.000 0.432 693 P HA 0.109 nan 4.420 nan 0.000 0.264 693 P C -1.061 176.343 177.300 0.173 0.000 1.193 693 P CA -0.098 63.029 63.100 0.044 0.000 0.763 693 P CB 0.716 32.433 31.700 0.029 0.000 0.810 694 A N 4.217 127.106 122.820 0.115 0.000 2.312 694 A HA 0.651 4.972 4.320 0.001 0.000 0.326 694 A C -0.200 177.395 177.584 0.018 0.000 1.172 694 A CA -0.765 51.337 52.037 0.108 0.000 0.821 694 A CB 0.441 19.483 19.000 0.070 0.000 1.166 694 A HN 0.508 nan 8.150 nan 0.000 0.493 695 I N 3.494 124.042 120.570 -0.038 0.000 2.390 695 I HA 0.222 4.393 4.170 0.001 0.000 0.283 695 I C -0.003 176.059 176.117 -0.091 0.000 1.016 695 I CA -0.287 60.966 61.300 -0.079 0.000 1.151 695 I CB 1.310 39.236 38.000 -0.123 0.000 1.293 695 I HN 0.584 nan 8.210 nan 0.000 0.458 696 I N 2.876 123.398 120.570 -0.079 0.000 2.947 696 I HA 0.060 4.230 4.170 0.001 0.000 0.263 696 I C 1.427 177.484 176.117 -0.100 0.000 1.130 696 I CA 1.015 62.261 61.300 -0.090 0.000 1.448 696 I CB -0.443 37.514 38.000 -0.072 0.000 1.222 696 I HN 0.504 nan 8.210 nan 0.000 0.453 697 T N -1.527 112.980 114.554 -0.079 0.000 2.936 697 T HA 0.530 4.881 4.350 0.001 0.000 0.282 697 T C 1.449 176.121 174.700 -0.046 0.000 1.003 697 T CA -0.517 61.548 62.100 -0.059 0.000 1.005 697 T CB 1.917 70.754 68.868 -0.051 0.000 1.097 697 T HN 0.017 nan 8.240 nan 0.000 0.532 698 I N 0.559 121.130 120.570 0.001 0.000 2.163 698 I HA -0.187 3.984 4.170 0.001 0.000 0.243 698 I C 2.630 178.717 176.117 -0.050 0.000 1.085 698 I CA 1.579 62.889 61.300 0.016 0.000 1.347 698 I CB -0.494 37.565 38.000 0.097 0.000 1.044 698 I HN 0.730 nan 8.210 nan 0.000 0.408 699 E N 1.030 121.195 120.200 -0.058 0.000 2.070 699 E HA -0.255 4.096 4.350 0.001 0.000 0.197 699 E C 1.796 178.342 176.600 -0.091 0.000 1.004 699 E CA 1.633 57.983 56.400 -0.084 0.000 0.805 699 E CB -0.316 29.343 29.700 -0.068 0.000 0.744 699 E HN 0.420 nan 8.360 nan 0.000 0.451 700 D N -0.080 120.269 120.400 -0.085 0.000 2.149 700 D HA -0.159 4.482 4.640 0.001 0.000 0.198 700 D C 1.786 178.000 176.300 -0.144 0.000 0.990 700 D CA 1.514 55.456 54.000 -0.096 0.000 0.839 700 D CB -0.305 40.443 40.800 -0.086 0.000 0.948 700 D HN 0.249 nan 8.370 nan 0.000 0.460 701 A N 0.335 123.053 122.820 -0.169 0.000 1.897 701 A HA -0.056 4.265 4.320 0.001 0.000 0.215 701 A C 2.357 179.697 177.584 -0.407 0.000 1.181 701 A CA 0.586 52.449 52.037 -0.291 0.000 0.620 701 A CB -0.587 18.267 19.000 -0.243 0.000 0.821 701 A HN 0.136 nan 8.150 nan 0.000 0.443 702 I N 0.008 120.448 120.570 -0.215 0.000 2.127 702 I HA -0.299 3.871 4.170 0.001 0.000 0.241 702 I C 2.505 178.560 176.117 -0.103 0.000 1.075 702 I CA 2.038 63.289 61.300 -0.080 0.000 1.334 702 I CB -0.169 37.783 38.000 -0.079 0.000 1.040 702 I HN 0.423 nan 8.210 nan 0.000 0.405 703 K N 0.694 121.029 120.400 -0.107 0.000 2.152 703 K HA -0.187 4.134 4.320 0.001 0.000 0.206 703 K C 1.446 177.987 176.600 -0.099 0.000 1.048 703 K CA 1.710 57.950 56.287 -0.080 0.000 0.933 703 K CB -0.064 32.394 32.500 -0.070 0.000 0.721 703 K HN 0.316 nan 8.250 nan 0.000 0.447 704 N N 0.856 119.457 118.700 -0.165 0.000 2.230 704 N HA -0.042 4.699 4.740 0.001 0.000 0.202 704 N C -0.533 174.840 175.510 -0.227 0.000 1.119 704 N CA 0.181 53.132 53.050 -0.165 0.000 0.851 704 N CB 0.269 38.657 38.487 -0.165 0.000 0.990 704 N HN 0.260 nan 8.380 nan 0.000 0.497 705 N N 0.714 119.231 118.700 -0.305 0.000 2.727 705 N HA -0.198 4.542 4.740 0.001 0.000 0.249 705 N C -1.081 174.032 175.510 -0.661 0.000 1.048 705 N CA 0.378 53.197 53.050 -0.386 0.000 0.714 705 N CB -1.187 37.262 38.487 -0.064 0.000 0.959 705 N HN -0.000 nan 8.380 nan 0.000 0.544 706 S N 1.060 116.182 115.700 -0.962 0.000 2.512 706 S HA 0.621 5.091 4.470 0.001 0.000 0.291 706 S C -0.741 173.396 174.600 -0.773 0.000 1.151 706 S CA -0.549 57.265 58.200 -0.644 0.000 1.120 706 S CB -0.234 62.701 63.200 -0.442 0.000 1.029 706 S HN 0.301 nan 8.310 nan 0.000 0.485 707 F N 2.313 122.149 119.950 -0.190 0.000 2.603 707 F HA 0.477 5.005 4.527 0.001 0.000 0.317 707 F C -0.696 174.960 175.800 -0.240 0.000 1.066 707 F CA -1.299 56.591 58.000 -0.183 0.000 0.941 707 F CB 1.435 40.405 39.000 -0.051 0.000 1.291 707 F HN 0.307 nan 8.300 nan 0.000 0.472 708 Y N 1.258 121.675 120.300 0.194 0.000 2.367 708 Y HA 0.504 5.055 4.550 0.001 0.000 0.342 708 Y C 0.772 176.703 175.900 0.052 0.000 0.979 708 Y CA -0.061 58.081 58.100 0.071 0.000 1.161 708 Y CB 0.953 39.420 38.460 0.012 0.000 1.155 708 Y HN 0.879 nan 8.280 nan 0.000 0.503 709 G N 2.047 110.950 108.800 0.172 0.000 2.645 709 G HA2 -0.168 3.792 3.960 0.001 0.000 0.239 709 G HA3 -0.168 3.792 3.960 0.001 0.000 0.239 709 G C -0.320 174.615 174.900 0.058 0.000 1.331 709 G CA -0.367 44.782 45.100 0.082 0.000 0.890 709 G HN 0.907 nan 8.290 nan 0.000 0.572 710 S N -1.131 114.577 115.700 0.014 0.000 2.766 710 S HA 0.701 5.172 4.470 0.001 0.000 0.307 710 S C 0.107 174.651 174.600 -0.094 0.000 1.121 710 S CA 0.257 58.436 58.200 -0.036 0.000 0.980 710 S CB 1.907 65.094 63.200 -0.023 0.000 1.159 710 S HN 1.092 nan 8.310 nan 0.000 0.546 711 E N -0.113 120.003 120.200 -0.141 0.000 2.452 711 E HA 0.165 4.515 4.350 0.001 0.000 0.261 711 E C -1.059 175.448 176.600 -0.155 0.000 0.987 711 E CA -0.096 56.195 56.400 -0.181 0.000 0.926 711 E CB 0.222 29.828 29.700 -0.156 0.000 0.934 711 E HN 0.448 nan 8.360 nan 0.000 0.452 712 L N 4.415 125.511 121.223 -0.212 0.000 2.343 712 L HA 0.483 4.823 4.340 0.001 0.000 0.275 712 L C -0.024 176.782 176.870 -0.107 0.000 1.056 712 L CA -0.352 54.341 54.840 -0.245 0.000 0.804 712 L CB 1.262 43.067 42.059 -0.423 0.000 1.203 712 L HN 0.504 nan 8.230 nan 0.000 0.440 713 K N 2.989 123.402 120.400 0.022 0.000 2.543 713 K HA 0.607 4.928 4.320 0.001 0.000 0.255 713 K C -1.832 174.929 176.600 0.268 0.000 0.934 713 K CA -0.488 55.871 56.287 0.120 0.000 0.810 713 K CB 1.859 34.406 32.500 0.079 0.000 1.315 713 K HN 0.489 nan 8.250 nan 0.000 0.433 714 I N 2.473 123.180 120.570 0.229 0.000 2.509 714 I HA 0.388 4.558 4.170 0.001 0.000 0.293 714 I C -0.915 175.319 176.117 0.194 0.000 1.020 714 I CA -0.683 60.753 61.300 0.227 0.000 1.088 714 I CB 2.186 40.317 38.000 0.219 0.000 1.267 714 I HN 0.674 nan 8.210 nan 0.000 0.430 715 E N 6.289 126.586 120.200 0.163 0.000 2.290 715 E HA 0.506 4.857 4.350 0.001 0.000 0.274 715 E C -1.507 175.157 176.600 0.106 0.000 0.889 715 E CA -0.831 55.643 56.400 0.124 0.000 0.760 715 E CB 2.235 31.992 29.700 0.095 0.000 1.206 715 E HN 0.532 nan 8.360 nan 0.000 0.419 716 K N 3.362 123.815 120.400 0.089 0.000 2.498 716 K HA 0.659 4.980 4.320 0.001 0.000 0.254 716 K C -0.098 176.517 176.600 0.025 0.000 0.933 716 K CA 0.152 56.478 56.287 0.064 0.000 0.806 716 K CB 1.623 34.175 32.500 0.088 0.000 1.301 716 K HN 0.757 nan 8.250 nan 0.000 0.432 717 G N 2.264 111.070 108.800 0.010 0.000 2.553 717 G HA2 -0.214 3.747 3.960 0.001 0.000 0.242 717 G HA3 -0.214 3.747 3.960 0.001 0.000 0.242 717 G C -1.309 173.581 174.900 -0.016 0.000 1.277 717 G CA 0.152 45.244 45.100 -0.013 0.000 0.910 717 G HN 0.714 nan 8.290 nan 0.000 0.576 718 D N 0.019 120.397 120.400 -0.037 0.000 2.473 718 D HA 0.548 5.188 4.640 0.001 0.000 0.253 718 D C 1.378 177.645 176.300 -0.055 0.000 1.233 718 D CA -0.530 53.453 54.000 -0.029 0.000 0.908 718 D CB 1.233 42.019 40.800 -0.023 0.000 1.170 718 D HN 0.277 nan 8.370 nan 0.000 0.558 719 L N 3.508 124.712 121.223 -0.032 0.000 2.023 719 L HA -0.029 4.311 4.340 0.001 0.000 0.205 719 L C 2.489 179.381 176.870 0.036 0.000 1.073 719 L CA 1.061 55.867 54.840 -0.056 0.000 0.745 719 L CB -0.149 41.945 42.059 0.059 0.000 0.900 719 L HN 0.334 nan 8.230 nan 0.000 0.435 720 K N -0.083 120.382 120.400 0.108 0.000 2.059 720 K HA -0.313 4.007 4.320 0.001 0.000 0.212 720 K C 2.195 178.840 176.600 0.076 0.000 1.050 720 K CA 2.026 58.388 56.287 0.125 0.000 0.927 720 K CB -0.233 32.310 32.500 0.071 0.000 0.714 720 K HN 0.177 nan 8.250 nan 0.000 0.447 721 K N 0.224 120.635 120.400 0.018 0.000 2.057 721 K HA -0.132 4.189 4.320 0.001 0.000 0.207 721 K C 2.192 178.769 176.600 -0.039 0.000 1.049 721 K CA 1.633 57.915 56.287 -0.008 0.000 0.931 721 K CB -0.275 32.213 32.500 -0.020 0.000 0.714 721 K HN 0.241 nan 8.250 nan 0.000 0.440 722 G N 0.473 109.210 108.800 -0.106 0.000 2.421 722 G HA2 -0.229 3.731 3.960 0.001 0.000 0.216 722 G HA3 -0.229 3.731 3.960 0.001 0.000 0.216 722 G C 1.345 176.133 174.900 -0.186 0.000 1.171 722 G CA 0.750 45.731 45.100 -0.197 0.000 0.775 722 G HN 0.299 nan 8.290 nan 0.000 0.543 723 F N 1.789 121.709 119.950 -0.050 0.000 2.069 723 F HA -0.157 4.370 4.527 0.001 0.000 0.298 723 F C 3.275 179.038 175.800 -0.062 0.000 1.113 723 F CA 1.508 59.472 58.000 -0.059 0.000 1.214 723 F CB -0.207 38.762 39.000 -0.052 0.000 0.978 723 F HN 0.286 nan 8.300 nan 0.000 0.474 724 S N -0.070 115.708 115.700 0.131 0.000 2.419 724 S HA -0.230 4.241 4.470 0.001 0.000 0.235 724 S C 1.560 176.168 174.600 0.013 0.000 1.019 724 S CA 1.693 59.924 58.200 0.053 0.000 0.982 724 S CB -0.539 62.682 63.200 0.036 0.000 0.789 724 S HN 0.539 nan 8.310 nan 0.000 0.490 725 E N 1.137 121.335 120.200 -0.005 0.000 2.299 725 E HA 0.325 4.676 4.350 0.001 0.000 0.193 725 E C 0.853 177.428 176.600 -0.041 0.000 0.998 725 E CA 0.314 56.696 56.400 -0.029 0.000 0.851 725 E CB -0.019 29.655 29.700 -0.044 0.000 0.795 725 E HN 0.695 nan 8.360 nan 0.000 0.492 726 A N 1.698 124.495 122.820 -0.039 0.000 2.488 726 A HA -0.035 4.286 4.320 0.001 0.000 0.249 726 A C 0.449 177.966 177.584 -0.111 0.000 1.083 726 A CA -0.241 51.750 52.037 -0.077 0.000 0.768 726 A CB 0.291 19.258 19.000 -0.055 0.000 1.017 726 A HN -0.001 nan 8.150 nan 0.000 0.496 727 D N 1.019 121.328 120.400 -0.150 0.000 2.117 727 D HA -0.068 4.573 4.640 0.001 0.000 0.197 727 D C 0.037 176.180 176.300 -0.261 0.000 0.987 727 D CA 1.541 55.441 54.000 -0.167 0.000 0.829 727 D CB 0.070 40.783 40.800 -0.145 0.000 0.961 727 D HN 0.597 nan 8.370 nan 0.000 0.460 728 N N -0.465 117.934 118.700 -0.501 0.000 2.235 728 N HA 0.341 5.081 4.740 0.001 0.000 0.293 728 N C -1.198 173.877 175.510 -0.724 0.000 1.083 728 N CA -0.418 52.206 53.050 -0.710 0.000 0.801 728 N CB 3.197 40.968 38.487 -1.194 0.000 1.559 728 N HN -0.272 nan 8.380 nan 0.000 0.472 729 V N 1.508 121.236 119.914 -0.311 0.000 2.525 729 V HA 0.452 4.572 4.120 0.001 0.000 0.299 729 V C -0.312 175.828 176.094 0.077 0.000 1.034 729 V CA -0.740 61.531 62.300 -0.048 0.000 0.863 729 V CB 2.099 33.899 31.823 -0.039 0.000 0.999 729 V HN 0.343 nan 8.190 nan 0.000 0.423 730 V N 4.203 124.280 119.914 0.273 0.000 2.555 730 V HA 0.771 4.892 4.120 0.001 0.000 0.302 730 V C 0.117 176.271 176.094 0.101 0.000 1.038 730 V CA -0.242 62.194 62.300 0.226 0.000 0.887 730 V CB 2.226 34.268 31.823 0.364 0.000 0.991 730 V HN 1.028 nan 8.190 nan 0.000 0.434 731 S N 2.941 118.615 115.700 -0.045 0.000 2.599 731 S HA 1.018 5.488 4.470 0.001 0.000 0.294 731 S C -0.301 174.041 174.600 -0.431 0.000 1.094 731 S CA -0.077 57.963 58.200 -0.267 0.000 0.931 731 S CB 2.380 65.442 63.200 -0.230 0.000 1.093 731 S HN 1.373 nan 8.310 nan 0.000 0.488 732 G N -0.022 108.218 108.800 -0.933 0.000 2.554 732 G HA2 0.552 4.513 3.960 0.001 0.000 0.306 732 G HA3 0.552 4.513 3.960 0.001 0.000 0.306 732 G C -2.080 172.475 174.900 -0.575 0.000 1.320 732 G CA -0.688 44.000 45.100 -0.688 0.000 0.800 732 G HN 0.915 nan 8.290 nan 0.000 0.481 733 E N -1.268 118.902 120.200 -0.050 0.000 2.343 733 E HA 0.729 5.079 4.350 0.001 0.000 0.270 733 E C -2.013 174.804 176.600 0.361 0.000 0.895 733 E CA -0.774 55.730 56.400 0.174 0.000 0.767 733 E CB 2.619 32.382 29.700 0.105 0.000 1.248 733 E HN 0.518 nan 8.360 nan 0.000 0.440 734 L N 3.429 124.888 121.223 0.393 0.000 2.505 734 L HA 0.498 4.839 4.340 0.001 0.000 0.259 734 L C -2.190 174.939 176.870 0.433 0.000 0.952 734 L CA -0.535 54.537 54.840 0.387 0.000 0.840 734 L CB 1.878 44.124 42.059 0.311 0.000 1.358 734 L HN 0.669 nan 8.230 nan 0.000 0.409 735 Y N 4.887 125.365 120.300 0.296 0.000 2.462 735 Y HA 0.760 5.311 4.550 0.001 0.000 0.346 735 Y C -1.354 174.721 175.900 0.292 0.000 0.976 735 Y CA -0.860 57.406 58.100 0.277 0.000 1.044 735 Y CB 1.766 40.349 38.460 0.204 0.000 1.230 735 Y HN 0.646 nan 8.280 nan 0.000 0.455 736 I N 5.412 125.765 120.570 -0.363 0.000 2.499 736 I HA 0.695 4.866 4.170 0.001 0.000 0.288 736 I C -0.061 175.642 176.117 -0.691 0.000 1.048 736 I CA -0.575 60.498 61.300 -0.378 0.000 1.062 736 I CB 1.270 39.113 38.000 -0.261 0.000 1.238 736 I HN 0.839 nan 8.210 nan 0.000 0.426 737 G N 4.363 112.925 108.800 -0.397 0.000 2.606 737 G HA2 0.452 4.412 3.960 0.001 0.000 0.252 737 G HA3 0.452 4.412 3.960 0.001 0.000 0.252 737 G C 0.355 175.158 174.900 -0.162 0.000 1.206 737 G CA 0.022 45.023 45.100 -0.165 0.000 0.861 737 G HN 0.889 nan 8.290 nan 0.000 0.561 738 G N -1.491 107.289 108.800 -0.033 0.000 2.485 738 G HA2 0.488 4.449 3.960 0.001 0.000 0.260 738 G HA3 0.488 4.449 3.960 0.001 0.000 0.260 738 G C -0.220 174.624 174.900 -0.093 0.000 1.459 738 G CA -0.176 44.896 45.100 -0.046 0.000 1.060 738 G HN 0.731 nan 8.290 nan 0.000 0.546 739 Q N -1.222 118.534 119.800 -0.074 0.000 2.443 739 Q HA 0.201 4.541 4.340 0.001 0.000 0.258 739 Q C -2.189 173.863 176.000 0.086 0.000 0.967 739 Q CA -0.592 55.177 55.803 -0.057 0.000 0.951 739 Q CB 2.069 30.514 28.738 -0.489 0.000 1.459 739 Q HN 0.611 nan 8.270 nan 0.000 0.415 740 D N 0.387 120.814 120.400 0.045 0.000 2.256 740 D HA 0.172 4.813 4.640 0.001 0.000 0.250 740 D C 0.682 177.040 176.300 0.097 0.000 1.093 740 D CA 0.139 54.089 54.000 -0.084 0.000 0.882 740 D CB 0.880 41.400 40.800 -0.466 0.000 1.185 740 D HN 0.574 nan 8.370 nan 0.000 0.437 741 H N 2.991 121.991 119.070 -0.116 0.000 2.353 741 H HA -0.085 4.472 4.556 0.001 0.000 0.298 741 H C 0.619 175.735 175.328 -0.353 0.000 1.103 741 H CA 1.237 56.932 56.048 -0.587 0.000 1.293 741 H CB -0.232 29.022 29.762 -0.847 0.000 1.372 741 H HN 0.536 nan 8.280 nan 0.000 0.501 742 F N 0.504 120.200 119.950 -0.423 0.000 3.019 742 F HA -0.292 4.236 4.527 0.001 0.000 0.259 742 F C -0.606 175.088 175.800 -0.177 0.000 0.976 742 F CA -0.466 57.381 58.000 -0.255 0.000 0.876 742 F CB -1.698 37.311 39.000 0.014 0.000 0.784 742 F HN 0.151 nan 8.300 nan 0.000 0.786 743 Y N -0.757 119.674 120.300 0.218 0.000 2.811 743 Y HA 0.063 4.614 4.550 0.001 0.000 0.334 743 Y C 1.114 177.026 175.900 0.019 0.000 1.247 743 Y CA -0.954 57.288 58.100 0.237 0.000 1.526 743 Y CB -0.002 38.487 38.460 0.049 0.000 1.284 743 Y HN 0.095 nan 8.280 nan 0.000 0.586 744 L N 1.171 122.552 121.223 0.262 0.000 2.141 744 L HA -0.056 4.284 4.340 0.001 0.000 0.209 744 L C 1.062 177.877 176.870 -0.092 0.000 1.094 744 L CA 1.323 56.290 54.840 0.212 0.000 0.763 744 L CB -0.648 41.647 42.059 0.394 0.000 0.908 744 L HN 0.863 nan 8.230 nan 0.000 0.437 745 E N 0.853 120.688 120.200 -0.608 0.000 2.152 745 E HA 0.131 4.482 4.350 0.001 0.000 0.285 745 E C -0.078 176.256 176.600 -0.444 0.000 1.043 745 E CA -0.277 55.474 56.400 -1.083 0.000 0.839 745 E CB 0.902 29.692 29.700 -1.517 0.000 1.069 745 E HN 0.247 nan 8.360 nan 0.000 0.399 746 T N 1.577 115.981 114.554 -0.251 0.000 2.732 746 T HA 0.116 4.466 4.350 0.001 0.000 0.287 746 T C 0.635 175.164 174.700 -0.284 0.000 0.993 746 T CA -0.593 61.439 62.100 -0.112 0.000 0.966 746 T CB 0.421 69.317 68.868 0.048 0.000 1.047 746 T HN 0.440 nan 8.240 nan 0.000 0.527 747 H N -1.041 117.884 119.070 -0.241 0.000 2.948 747 H HA 0.287 4.844 4.556 0.001 0.000 0.351 747 H C -0.048 175.224 175.328 -0.094 0.000 1.079 747 H CA 0.263 56.189 56.048 -0.204 0.000 1.407 747 H CB 0.434 30.122 29.762 -0.122 0.000 1.373 747 H HN 0.704 nan 8.280 nan 0.000 0.605 748 C N 2.878 122.199 119.300 0.035 0.000 3.046 748 C HA 0.324 4.785 4.460 0.001 0.000 0.388 748 C C -0.732 174.294 174.990 0.059 0.000 1.041 748 C CA -0.260 58.786 59.018 0.046 0.000 1.241 748 C CB 0.950 28.698 27.740 0.015 0.000 1.638 748 C HN 0.884 nan 8.230 nan 0.000 0.539 749 T N 5.999 120.602 114.554 0.082 0.000 2.912 749 T HA 0.612 4.963 4.350 0.001 0.000 0.299 749 T C -0.968 173.796 174.700 0.106 0.000 1.052 749 T CA -0.247 61.906 62.100 0.089 0.000 0.996 749 T CB 1.265 70.175 68.868 0.070 0.000 1.070 749 T HN 0.566 nan 8.240 nan 0.000 0.465 750 I N 2.321 122.983 120.570 0.152 0.000 2.378 750 I HA 0.684 4.855 4.170 0.001 0.000 0.291 750 I C -0.004 176.225 176.117 0.187 0.000 0.992 750 I CA -0.871 60.534 61.300 0.175 0.000 1.154 750 I CB 1.574 39.719 38.000 0.242 0.000 1.315 750 I HN 0.689 nan 8.210 nan 0.000 0.448 751 A N 7.743 130.638 122.820 0.126 0.000 2.304 751 A HA 0.760 5.080 4.320 0.001 0.000 0.314 751 A C -0.740 176.902 177.584 0.096 0.000 1.187 751 A CA -0.471 51.620 52.037 0.090 0.000 0.810 751 A CB 0.740 19.773 19.000 0.054 0.000 1.183 751 A HN 0.515 nan 8.150 nan 0.000 0.487 752 I N 4.792 125.417 120.570 0.092 0.000 2.328 752 I HA 0.325 4.496 4.170 0.001 0.000 0.287 752 I C -2.398 173.722 176.117 0.005 0.000 1.012 752 I CA -2.609 58.730 61.300 0.064 0.000 1.195 752 I CB 1.185 39.266 38.000 0.135 0.000 1.350 752 I HN 0.382 nan 8.210 nan 0.000 0.464 753 P HA 0.253 nan 4.420 nan 0.000 0.286 753 P C -0.014 177.260 177.300 -0.044 0.000 1.269 753 P CA -0.493 62.600 63.100 -0.011 0.000 0.787 753 P CB 1.586 33.284 31.700 -0.003 0.000 0.920 754 K N 2.161 122.543 120.400 -0.030 0.000 2.400 754 K HA 0.129 4.449 4.320 0.001 0.000 0.194 754 K C 1.494 178.069 176.600 -0.041 0.000 1.033 754 K CA 0.748 57.010 56.287 -0.042 0.000 1.021 754 K CB -0.691 31.794 32.500 -0.026 0.000 0.808 754 K HN 0.838 nan 8.250 nan 0.000 0.505 755 G N 1.599 110.381 108.800 -0.030 0.000 2.176 755 G HA2 -0.257 3.704 3.960 0.001 0.000 0.253 755 G HA3 -0.257 3.704 3.960 0.001 0.000 0.253 755 G C -0.293 174.596 174.900 -0.019 0.000 0.979 755 G CA 0.097 45.178 45.100 -0.033 0.000 0.641 755 G HN 0.372 nan 8.290 nan 0.000 0.530 756 E N 0.100 120.294 120.200 -0.009 0.000 2.241 756 E HA 0.463 4.813 4.350 0.001 0.000 0.263 756 E C 0.159 176.762 176.600 0.004 0.000 0.882 756 E CA -0.838 55.559 56.400 -0.005 0.000 0.769 756 E CB 1.088 30.782 29.700 -0.009 0.000 1.185 756 E HN 0.133 nan 8.360 nan 0.000 0.415 757 E N 1.270 121.476 120.200 0.010 0.000 2.722 757 E HA -0.284 4.066 4.350 0.001 0.000 0.265 757 E C 0.709 177.321 176.600 0.019 0.000 1.081 757 E CA 1.240 57.647 56.400 0.012 0.000 0.781 757 E CB -1.417 28.285 29.700 0.004 0.000 1.372 757 E HN 1.140 nan 8.360 nan 0.000 0.423 758 G N -0.086 108.736 108.800 0.038 0.000 2.179 758 G HA2 -0.363 3.598 3.960 0.001 0.000 0.260 758 G HA3 -0.363 3.598 3.960 0.001 0.000 0.260 758 G C 0.139 175.059 174.900 0.033 0.000 0.977 758 G CA 0.583 45.715 45.100 0.053 0.000 0.641 758 G HN 0.389 nan 8.290 nan 0.000 0.533 759 E N -0.254 119.955 120.200 0.015 0.000 2.442 759 E HA 0.429 4.780 4.350 0.001 0.000 0.262 759 E C 0.326 176.927 176.600 0.001 0.000 1.004 759 E CA 0.633 57.033 56.400 0.000 0.000 0.928 759 E CB 0.598 30.293 29.700 -0.008 0.000 0.937 759 E HN 0.476 nan 8.360 nan 0.000 0.446 760 M N 2.215 121.806 119.600 -0.014 0.000 2.365 760 M HA 0.193 4.673 4.480 0.001 0.000 0.287 760 M C -1.769 174.498 176.300 -0.055 0.000 1.154 760 M CA -0.388 54.901 55.300 -0.018 0.000 0.941 760 M CB 2.193 34.791 32.600 -0.002 0.000 1.704 760 M HN 0.463 nan 8.290 nan 0.000 0.479 761 E N 3.772 123.927 120.200 -0.075 0.000 2.187 761 E HA 0.676 5.026 4.350 0.001 0.000 0.268 761 E C -2.101 174.348 176.600 -0.253 0.000 0.896 761 E CA -0.621 55.671 56.400 -0.180 0.000 0.766 761 E CB 1.585 31.189 29.700 -0.160 0.000 1.142 761 E HN 0.624 nan 8.360 nan 0.000 0.408 762 L N 4.337 125.340 121.223 -0.367 0.000 2.386 762 L HA 0.491 4.832 4.340 0.001 0.000 0.271 762 L C -1.191 175.388 176.870 -0.485 0.000 0.993 762 L CA -0.452 54.230 54.840 -0.263 0.000 0.819 762 L CB 1.402 43.393 42.059 -0.114 0.000 1.294 762 L HN 0.529 nan 8.230 nan 0.000 0.414 763 F N 2.629 122.587 119.950 0.014 0.000 2.411 763 F HA 0.740 5.268 4.527 0.001 0.000 0.352 763 F C -0.103 175.698 175.800 0.001 0.000 1.123 763 F CA -0.876 57.128 58.000 0.007 0.000 1.044 763 F CB 1.624 40.633 39.000 0.016 0.000 1.135 763 F HN 0.011 nan 8.300 nan 0.000 0.461 764 V N 1.513 121.490 119.914 0.106 0.000 2.888 764 V HA 0.311 4.432 4.120 0.001 0.000 0.309 764 V C -0.461 175.636 176.094 0.005 0.000 1.114 764 V CA -1.026 61.301 62.300 0.044 0.000 0.940 764 V CB 2.232 34.051 31.823 -0.006 0.000 1.021 764 V HN 0.666 nan 8.190 nan 0.000 0.426 765 S N 2.694 118.375 115.700 -0.031 0.000 3.036 765 S HA 0.486 4.957 4.470 0.001 0.000 0.301 765 S C -0.159 174.342 174.600 -0.166 0.000 1.205 765 S CA 0.043 58.176 58.200 -0.113 0.000 0.999 765 S CB -0.335 62.749 63.200 -0.193 0.000 1.337 765 S HN 0.976 nan 8.310 nan 0.000 0.515 766 T N 3.102 117.578 114.554 -0.129 0.000 2.923 766 T HA 0.344 4.695 4.350 0.001 0.000 0.311 766 T C 0.158 174.789 174.700 -0.116 0.000 1.183 766 T CA -0.540 61.486 62.100 -0.124 0.000 1.020 766 T CB 1.664 70.486 68.868 -0.077 0.000 1.165 766 T HN 0.512 nan 8.240 nan 0.000 0.482 767 Q N 1.872 121.608 119.800 -0.107 0.000 2.365 767 Q HA 0.251 4.592 4.340 0.001 0.000 0.203 767 Q C 0.053 176.026 176.000 -0.045 0.000 0.929 767 Q CA 0.017 55.774 55.803 -0.076 0.000 0.948 767 Q CB 0.252 28.957 28.738 -0.056 0.000 1.043 767 Q HN 0.341 nan 8.270 nan 0.000 0.505 768 N N -0.323 118.340 118.700 -0.063 0.000 2.722 768 N HA 0.234 4.974 4.740 0.001 0.000 0.242 768 N C -0.293 175.158 175.510 -0.098 0.000 1.398 768 N CA 0.004 53.013 53.050 -0.069 0.000 0.755 768 N CB 0.842 39.278 38.487 -0.085 0.000 1.268 768 N HN 0.077 nan 8.380 nan 0.000 0.522 769 A N 2.453 125.223 122.820 -0.085 0.000 1.972 769 A HA -0.159 4.161 4.320 0.001 0.000 0.219 769 A C 2.123 179.645 177.584 -0.103 0.000 1.169 769 A CA 1.200 53.182 52.037 -0.092 0.000 0.635 769 A CB -0.288 18.662 19.000 -0.083 0.000 0.810 769 A HN 0.671 nan 8.150 nan 0.000 0.446 770 M N -0.828 118.714 119.600 -0.096 0.000 2.067 770 M HA -0.160 4.321 4.480 0.001 0.000 0.260 770 M C 1.810 178.008 176.300 -0.170 0.000 1.069 770 M CA 1.901 57.140 55.300 -0.101 0.000 1.117 770 M CB -0.180 32.378 32.600 -0.070 0.000 1.334 770 M HN 0.145 nan 8.290 nan 0.000 0.407 771 K N -0.153 120.086 120.400 -0.269 0.000 2.148 771 K HA -0.066 4.254 4.320 0.001 0.000 0.204 771 K C 1.880 178.148 176.600 -0.554 0.000 1.050 771 K CA 1.819 57.774 56.287 -0.553 0.000 0.942 771 K CB -0.822 31.203 32.500 -0.792 0.000 0.724 771 K HN 0.470 nan 8.250 nan 0.000 0.446 772 T N 1.716 116.087 114.554 -0.305 0.000 2.684 772 T HA -0.208 4.143 4.350 0.001 0.000 0.267 772 T C 1.945 176.586 174.700 -0.098 0.000 1.036 772 T CA 1.520 63.520 62.100 -0.168 0.000 1.148 772 T CB -0.095 68.710 68.868 -0.106 0.000 0.863 772 T HN 0.368 nan 8.240 nan 0.000 0.436 773 Q N 0.850 120.588 119.800 -0.103 0.000 2.020 773 Q HA -0.146 4.194 4.340 0.001 0.000 0.202 773 Q C 2.525 178.510 176.000 -0.025 0.000 0.982 773 Q CA 1.998 57.764 55.803 -0.063 0.000 0.838 773 Q CB -0.188 28.509 28.738 -0.067 0.000 0.899 773 Q HN 0.651 nan 8.270 nan 0.000 0.423 774 S N -0.580 115.102 115.700 -0.030 0.000 2.406 774 S HA -0.065 4.405 4.470 0.001 0.000 0.228 774 S C 1.714 176.439 174.600 0.208 0.000 1.020 774 S CA 0.531 58.763 58.200 0.054 0.000 0.965 774 S CB -0.392 62.833 63.200 0.042 0.000 0.798 774 S HN 0.340 nan 8.310 nan 0.000 0.488 775 F N 1.834 121.749 119.950 -0.058 0.000 2.206 775 F HA 0.162 4.690 4.527 0.001 0.000 0.298 775 F C 2.563 178.317 175.800 -0.077 0.000 1.090 775 F CA -0.600 57.361 58.000 -0.065 0.000 1.323 775 F CB -1.215 37.750 39.000 -0.058 0.000 1.028 775 F HN 0.103 nan 8.300 nan 0.000 0.492 776 V N 0.110 120.099 119.914 0.126 0.000 2.307 776 V HA -0.261 3.859 4.120 0.001 0.000 0.245 776 V C 2.676 178.764 176.094 -0.011 0.000 1.045 776 V CA 1.651 63.967 62.300 0.027 0.000 1.024 776 V CB -1.318 30.507 31.823 0.003 0.000 0.651 776 V HN 0.295 nan 8.190 nan 0.000 0.449 777 A N -0.218 122.602 122.820 -0.000 0.000 1.892 777 A HA -0.324 3.997 4.320 0.001 0.000 0.218 777 A C 2.352 179.912 177.584 -0.040 0.000 1.188 777 A CA 2.476 54.499 52.037 -0.023 0.000 0.631 777 A CB -0.553 18.440 19.000 -0.011 0.000 0.822 777 A HN 0.529 nan 8.150 nan 0.000 0.447 778 K N -1.180 119.208 120.400 -0.019 0.000 2.097 778 K HA -0.115 4.206 4.320 0.001 0.000 0.205 778 K C 2.115 178.658 176.600 -0.095 0.000 1.050 778 K CA 1.462 57.717 56.287 -0.053 0.000 0.938 778 K CB -0.206 32.261 32.500 -0.054 0.000 0.718 778 K HN 0.476 nan 8.250 nan 0.000 0.442 779 M N 1.064 120.601 119.600 -0.105 0.000 2.175 779 M HA -0.109 4.371 4.480 0.001 0.000 0.264 779 M C 1.624 177.816 176.300 -0.180 0.000 1.063 779 M CA 1.514 56.726 55.300 -0.146 0.000 1.119 779 M CB -0.299 32.209 32.600 -0.153 0.000 1.377 779 M HN 0.201 nan 8.290 nan 0.000 0.415 780 L N -0.058 121.057 121.223 -0.182 0.000 2.313 780 L HA 0.084 4.425 4.340 0.001 0.000 0.214 780 L C 1.324 178.062 176.870 -0.220 0.000 1.119 780 L CA 0.632 55.307 54.840 -0.275 0.000 0.809 780 L CB -0.743 41.183 42.059 -0.223 0.000 0.933 780 L HN 0.625 nan 8.230 nan 0.000 0.449 781 G N 1.103 109.820 108.800 -0.138 0.000 2.225 781 G HA2 -0.202 3.758 3.960 0.001 0.000 0.264 781 G HA3 -0.202 3.758 3.960 0.001 0.000 0.264 781 G C -0.002 174.853 174.900 -0.074 0.000 1.060 781 G CA 0.256 45.297 45.100 -0.097 0.000 0.833 781 G HN 0.297 nan 8.290 nan 0.000 0.498 782 V N -3.711 116.164 119.914 -0.065 0.000 3.046 782 V HA 0.970 5.091 4.120 0.001 0.000 0.316 782 V C -2.095 173.980 176.094 -0.032 0.000 1.104 782 V CA -2.868 59.407 62.300 -0.042 0.000 1.006 782 V CB 1.924 33.726 31.823 -0.035 0.000 1.058 782 V HN 0.050 nan 8.190 nan 0.000 0.440 783 P HA 0.247 nan 4.420 nan 0.000 0.269 783 P C 0.909 178.195 177.300 -0.022 0.000 1.215 783 P CA -0.114 62.973 63.100 -0.022 0.000 0.780 783 P CB 0.871 32.559 31.700 -0.019 0.000 0.898 784 V N 1.465 121.366 119.914 -0.022 0.000 2.626 784 V HA -0.208 3.913 4.120 0.001 0.000 0.252 784 V C 1.875 177.955 176.094 -0.024 0.000 1.067 784 V CA 2.082 64.368 62.300 -0.022 0.000 1.081 784 V CB -1.356 30.454 31.823 -0.021 0.000 0.686 784 V HN 0.674 nan 8.190 nan 0.000 0.468 785 N N 0.558 119.245 118.700 -0.022 0.000 2.573 785 N HA -0.171 4.569 4.740 0.001 0.000 0.187 785 N C 1.565 177.063 175.510 -0.020 0.000 1.107 785 N CA 0.847 53.885 53.050 -0.021 0.000 0.918 785 N CB -0.391 38.085 38.487 -0.017 0.000 0.966 785 N HN 0.266 nan 8.380 nan 0.000 0.448 786 R N -0.080 120.408 120.500 -0.020 0.000 2.240 786 R HA 0.204 4.545 4.340 0.001 0.000 0.203 786 R C -0.031 176.254 176.300 -0.025 0.000 1.011 786 R CA 0.118 56.207 56.100 -0.018 0.000 1.007 786 R CB 0.037 30.329 30.300 -0.014 0.000 0.911 786 R HN 0.279 nan 8.270 nan 0.000 0.468 787 I N 1.878 122.428 120.570 -0.032 0.000 2.362 787 I HA 0.241 4.411 4.170 0.001 0.000 0.289 787 I C -0.424 175.658 176.117 -0.059 0.000 0.994 787 I CA -1.715 59.559 61.300 -0.043 0.000 1.158 787 I CB 1.358 39.335 38.000 -0.039 0.000 1.315 787 I HN -0.158 nan 8.210 nan 0.000 0.451 788 L N 8.572 129.745 121.223 -0.083 0.000 2.313 788 L HA 0.649 4.989 4.340 0.001 0.000 0.283 788 L C -0.912 175.864 176.870 -0.157 0.000 1.013 788 L CA -0.336 54.440 54.840 -0.107 0.000 0.816 788 L CB 1.722 43.717 42.059 -0.107 0.000 1.236 788 L HN 0.271 nan 8.230 nan 0.000 0.419 789 V N 5.889 125.718 119.914 -0.143 0.000 2.495 789 V HA 0.623 4.744 4.120 0.001 0.000 0.298 789 V C -0.107 175.885 176.094 -0.171 0.000 1.031 789 V CA -0.613 61.587 62.300 -0.167 0.000 0.871 789 V CB 1.689 33.442 31.823 -0.116 0.000 0.988 789 V HN 0.737 nan 8.190 nan 0.000 0.432 790 R N 3.166 123.529 120.500 -0.228 0.000 2.494 790 R HA 0.786 5.127 4.340 0.001 0.000 0.305 790 R C -1.569 174.704 176.300 -0.045 0.000 0.959 790 R CA -0.680 55.332 56.100 -0.148 0.000 0.864 790 R CB 2.413 32.590 30.300 -0.206 0.000 1.159 790 R HN 0.503 nan 8.270 nan 0.000 0.446 791 V N 3.753 123.655 119.914 -0.020 0.000 2.409 791 V HA 0.178 4.299 4.120 0.001 0.000 0.290 791 V C 0.632 176.735 176.094 0.015 0.000 1.017 791 V CA -0.735 61.565 62.300 0.001 0.000 0.841 791 V CB 1.455 33.253 31.823 -0.041 0.000 1.003 791 V HN 0.719 nan 8.190 nan 0.000 0.426 792 K N 3.933 124.359 120.400 0.042 0.000 2.005 792 K HA 0.169 4.489 4.320 0.001 0.000 0.206 792 K C 0.744 177.348 176.600 0.006 0.000 1.044 792 K CA 1.187 57.487 56.287 0.021 0.000 0.942 792 K CB 0.372 32.879 32.500 0.011 0.000 0.727 792 K HN 0.852 nan 8.250 nan 0.000 0.439 793 R N -1.522 118.963 120.500 -0.025 0.000 2.712 793 R HA 0.415 4.756 4.340 0.001 0.000 0.272 793 R C -1.112 175.188 176.300 0.000 0.000 1.032 793 R CA -0.721 55.359 56.100 -0.034 0.000 0.874 793 R CB 0.834 31.081 30.300 -0.087 0.000 1.256 793 R HN -0.155 nan 8.270 nan 0.000 0.468 794 M N 0.558 120.158 119.600 0.001 0.000 2.528 794 M HA 0.407 4.887 4.480 0.001 0.000 0.321 794 M C 0.430 176.784 176.300 0.090 0.000 1.153 794 M CA -0.690 54.600 55.300 -0.017 0.000 0.951 794 M CB 2.417 34.913 32.600 -0.173 0.000 1.705 794 M HN 0.917 nan 8.290 nan 0.000 0.451 795 G N 1.609 110.406 108.800 -0.005 0.000 3.343 795 G HA2 0.500 4.461 3.960 0.001 0.000 0.264 795 G HA3 0.500 4.461 3.960 0.001 0.000 0.264 795 G C 0.299 175.119 174.900 -0.132 0.000 0.884 795 G CA 0.224 45.256 45.100 -0.112 0.000 1.916 795 G HN 1.091 nan 8.290 nan 0.000 0.618 796 G N -1.001 107.714 108.800 -0.141 0.000 2.719 796 G HA2 0.358 4.319 3.960 0.001 0.000 0.686 796 G HA3 0.358 4.319 3.960 0.001 0.000 0.686 796 G C 0.542 175.217 174.900 -0.375 0.000 1.201 796 G CA -0.314 44.600 45.100 -0.309 0.000 0.768 796 G HN 1.270 nan 8.290 nan 0.000 0.629 797 G N -0.607 107.815 108.800 -0.630 0.000 2.570 797 G HA2 0.527 4.488 3.960 0.001 0.000 0.213 797 G HA3 0.527 4.488 3.960 0.001 0.000 0.213 797 G C 0.860 175.684 174.900 -0.128 0.000 1.391 797 G CA 0.837 45.740 45.100 -0.329 0.000 0.533 797 G HN 1.715 nan 8.290 nan 0.000 1.072 798 F N 0.919 120.874 119.950 0.009 0.000 3.093 798 F HA -0.203 4.324 4.527 0.001 0.000 0.283 798 F C 1.989 177.792 175.800 0.005 0.000 0.848 798 F CA 0.988 58.983 58.000 -0.008 0.000 1.059 798 F CB -1.450 37.482 39.000 -0.113 0.000 1.191 798 F HN 1.086 nan 8.300 nan 0.000 0.514 799 G N -1.112 107.736 108.800 0.080 0.000 2.258 799 G HA2 -0.212 3.748 3.960 0.001 0.000 0.233 799 G HA3 -0.212 3.748 3.960 0.001 0.000 0.233 799 G C 1.079 175.978 174.900 -0.002 0.000 1.006 799 G CA 0.003 45.192 45.100 0.148 0.000 0.620 799 G HN 1.217 nan 8.290 nan 0.000 0.511 800 G N -0.033 108.507 108.800 -0.434 0.000 2.848 800 G HA2 0.308 4.268 3.960 0.001 0.000 0.208 800 G HA3 0.308 4.268 3.960 0.001 0.000 0.208 800 G C 1.076 175.882 174.900 -0.157 0.000 1.152 800 G CA 1.180 45.825 45.100 -0.759 0.000 0.789 800 G HN 0.508 nan 8.290 nan 0.000 0.531 801 K N -0.177 120.125 120.400 -0.163 0.000 2.478 801 K HA 0.187 4.508 4.320 0.001 0.000 0.205 801 K C 1.368 177.943 176.600 -0.042 0.000 1.033 801 K CA -0.140 56.066 56.287 -0.135 0.000 1.091 801 K CB 0.736 33.018 32.500 -0.363 0.000 0.844 801 K HN 0.311 nan 8.250 nan 0.000 0.507 802 E N 0.809 121.020 120.200 0.018 0.000 2.072 802 E HA -0.139 4.212 4.350 0.001 0.000 0.190 802 E C 1.306 177.938 176.600 0.053 0.000 0.982 802 E CA 1.887 58.323 56.400 0.059 0.000 0.803 802 E CB 0.420 30.203 29.700 0.139 0.000 0.755 802 E HN 0.294 nan 8.360 nan 0.000 0.453 803 T N -3.067 111.539 114.554 0.086 0.000 3.168 803 T HA 0.196 4.547 4.350 0.001 0.000 0.261 803 T C 1.567 176.323 174.700 0.093 0.000 0.931 803 T CA -0.581 61.562 62.100 0.072 0.000 0.949 803 T CB -0.073 68.879 68.868 0.139 0.000 1.229 803 T HN -0.088 nan 8.240 nan 0.000 0.504 804 R N 2.704 123.274 120.500 0.117 0.000 2.280 804 R HA 0.166 4.506 4.340 0.001 0.000 0.207 804 R C 2.556 178.853 176.300 -0.006 0.000 1.043 804 R CA 1.092 57.234 56.100 0.071 0.000 1.006 804 R CB -1.103 29.233 30.300 0.061 0.000 0.885 804 R HN 0.735 nan 8.270 nan 0.000 0.467 805 S N 0.227 116.006 115.700 0.132 0.000 2.442 805 S HA -0.136 4.335 4.470 0.001 0.000 0.236 805 S C 1.882 176.520 174.600 0.063 0.000 1.007 805 S CA 1.449 59.760 58.200 0.184 0.000 0.965 805 S CB -0.568 62.742 63.200 0.184 0.000 0.773 805 S HN 0.446 nan 8.310 nan 0.000 0.504 806 T N 0.787 115.376 114.554 0.059 0.000 2.962 806 T HA 0.145 4.496 4.350 0.001 0.000 0.270 806 T C 1.712 176.456 174.700 0.073 0.000 1.088 806 T CA 0.719 62.873 62.100 0.090 0.000 1.127 806 T CB -0.782 68.218 68.868 0.221 0.000 0.883 806 T HN 0.418 nan 8.240 nan 0.000 0.493 807 L N 0.467 121.712 121.223 0.036 0.000 2.046 807 L HA -0.044 4.297 4.340 0.001 0.000 0.208 807 L C 2.845 179.724 176.870 0.014 0.000 1.077 807 L CA 0.958 55.807 54.840 0.015 0.000 0.747 807 L CB -0.652 41.404 42.059 -0.005 0.000 0.896 807 L HN 0.207 nan 8.230 nan 0.000 0.432 808 V N -1.304 118.614 119.914 0.007 0.000 2.446 808 V HA -0.153 3.967 4.120 0.001 0.000 0.244 808 V C 2.516 178.637 176.094 0.045 0.000 1.039 808 V CA 1.568 63.892 62.300 0.040 0.000 1.045 808 V CB 0.132 31.985 31.823 0.051 0.000 0.681 808 V HN 0.326 nan 8.190 nan 0.000 0.459 809 S N 0.329 116.053 115.700 0.041 0.000 2.370 809 S HA -0.182 4.289 4.470 0.001 0.000 0.226 809 S C 1.987 176.597 174.600 0.018 0.000 1.033 809 S CA 1.639 59.859 58.200 0.034 0.000 1.011 809 S CB -0.249 62.967 63.200 0.026 0.000 0.852 809 S HN 0.383 nan 8.310 nan 0.000 0.457 810 V N 1.726 121.641 119.914 0.002 0.000 2.453 810 V HA -0.094 4.027 4.120 0.001 0.000 0.247 810 V C 2.598 178.633 176.094 -0.098 0.000 1.048 810 V CA 1.433 63.704 62.300 -0.048 0.000 1.049 810 V CB -1.169 30.612 31.823 -0.071 0.000 0.672 810 V HN 0.527 nan 8.190 nan 0.000 0.457 811 A N 0.001 122.771 122.820 -0.084 0.000 1.902 811 A HA -0.146 4.175 4.320 0.001 0.000 0.217 811 A C 2.391 180.017 177.584 0.071 0.000 1.181 811 A CA 2.018 54.046 52.037 -0.015 0.000 0.623 811 A CB -0.665 18.415 19.000 0.133 0.000 0.818 811 A HN 0.321 nan 8.150 nan 0.000 0.443 812 V N -0.053 119.898 119.914 0.062 0.000 2.343 812 V HA -0.253 3.868 4.120 0.001 0.000 0.247 812 V C 3.063 179.191 176.094 0.057 0.000 1.051 812 V CA 1.905 64.244 62.300 0.066 0.000 1.036 812 V CB -1.272 30.589 31.823 0.063 0.000 0.654 812 V HN 0.619 nan 8.190 nan 0.000 0.451 813 A N -0.104 122.740 122.820 0.040 0.000 1.908 813 A HA -0.232 4.089 4.320 0.001 0.000 0.218 813 A C 2.178 179.806 177.584 0.073 0.000 1.181 813 A CA 2.221 54.283 52.037 0.041 0.000 0.627 813 A CB -0.617 18.388 19.000 0.008 0.000 0.818 813 A HN 0.456 nan 8.150 nan 0.000 0.445 814 L N -0.195 121.059 121.223 0.053 0.000 2.012 814 L HA -0.095 4.246 4.340 0.001 0.000 0.210 814 L C 2.691 179.660 176.870 0.166 0.000 1.073 814 L CA 2.341 57.243 54.840 0.103 0.000 0.748 814 L CB -0.910 41.190 42.059 0.068 0.000 0.891 814 L HN 0.349 nan 8.230 nan 0.000 0.431 815 A N -0.603 122.286 122.820 0.115 0.000 1.902 815 A HA -0.117 4.204 4.320 0.001 0.000 0.217 815 A C 2.436 180.055 177.584 0.059 0.000 1.181 815 A CA 1.944 54.025 52.037 0.073 0.000 0.623 815 A CB -1.160 17.868 19.000 0.048 0.000 0.818 815 A HN 0.599 nan 8.150 nan 0.000 0.443 816 A N -1.399 121.466 122.820 0.076 0.000 1.898 816 A HA -0.059 4.262 4.320 0.001 0.000 0.216 816 A C 2.136 179.763 177.584 0.071 0.000 1.181 816 A CA 1.593 53.669 52.037 0.064 0.000 0.620 816 A CB -0.863 18.174 19.000 0.062 0.000 0.819 816 A HN 0.780 nan 8.150 nan 0.000 0.442 817 Y N 0.694 120.996 120.300 0.003 0.000 2.097 817 Y HA -0.257 4.293 4.550 0.001 0.000 0.282 817 Y C 2.308 178.211 175.900 0.006 0.000 1.152 817 Y CA 2.601 60.702 58.100 0.001 0.000 1.136 817 Y CB -0.276 38.181 38.460 -0.004 0.000 0.975 817 Y HN 0.220 nan 8.280 nan 0.000 0.498 818 K N -0.132 120.226 120.400 -0.070 0.000 2.057 818 K HA -0.108 4.213 4.320 0.001 0.000 0.206 818 K C 2.137 178.637 176.600 -0.165 0.000 1.050 818 K CA 2.103 58.290 56.287 -0.166 0.000 0.935 818 K CB -0.670 31.845 32.500 0.026 0.000 0.715 818 K HN 0.577 nan 8.250 nan 0.000 0.439 819 T N -4.030 110.472 114.554 -0.087 0.000 3.054 819 T HA 0.159 4.509 4.350 0.001 0.000 0.259 819 T C 1.497 176.225 174.700 0.046 0.000 1.092 819 T CA 0.565 62.632 62.100 -0.055 0.000 1.121 819 T CB -0.140 68.660 68.868 -0.114 0.000 0.912 819 T HN 0.308 nan 8.240 nan 0.000 0.489 820 G N 1.359 110.152 108.800 -0.010 0.000 2.166 820 G HA2 -0.253 3.708 3.960 0.001 0.000 0.260 820 G HA3 -0.253 3.708 3.960 0.001 0.000 0.260 820 G C -0.000 174.926 174.900 0.045 0.000 0.986 820 G CA 0.512 45.613 45.100 0.001 0.000 0.683 820 G HN 0.772 nan 8.290 nan 0.000 0.527 821 H N 0.286 119.308 119.070 -0.080 0.000 2.533 821 H HA 0.328 4.884 4.556 0.001 0.000 0.343 821 H C -2.322 172.961 175.328 -0.075 0.000 1.160 821 H CA -2.132 53.868 56.048 -0.080 0.000 1.218 821 H CB 1.741 31.464 29.762 -0.065 0.000 1.566 821 H HN 0.042 nan 8.280 nan 0.000 0.522 822 P HA -0.071 nan 4.420 nan 0.000 0.265 822 P C -0.825 176.487 177.300 0.021 0.000 1.187 822 P CA 0.344 63.460 63.100 0.026 0.000 0.766 822 P CB 0.600 32.340 31.700 0.067 0.000 0.820 823 V N 3.865 123.780 119.914 0.003 0.000 2.925 823 V HA 0.637 4.757 4.120 0.001 0.000 0.311 823 V C 0.107 176.167 176.094 -0.056 0.000 1.104 823 V CA -0.654 61.609 62.300 -0.061 0.000 0.954 823 V CB 2.281 34.094 31.823 -0.017 0.000 1.022 823 V HN 0.597 nan 8.190 nan 0.000 0.427 824 R N 1.719 122.138 120.500 -0.135 0.000 2.836 824 R HA 0.929 5.270 4.340 0.001 0.000 0.269 824 R C -1.459 174.878 176.300 0.062 0.000 1.010 824 R CA -0.658 55.427 56.100 -0.025 0.000 0.930 824 R CB 1.849 32.134 30.300 -0.025 0.000 1.218 824 R HN 0.709 nan 8.270 nan 0.000 0.473 825 C N 2.598 121.963 119.300 0.109 0.000 2.642 825 C HA 0.592 5.053 4.460 0.001 0.000 0.344 825 C C -0.904 174.169 174.990 0.137 0.000 1.110 825 C CA -0.603 58.505 59.018 0.150 0.000 1.298 825 C CB 1.302 29.120 27.740 0.130 0.000 1.827 825 C HN 0.990 nan 8.230 nan 0.000 0.467 826 M N 6.650 126.340 119.600 0.150 0.000 2.294 826 M HA 0.566 5.047 4.480 0.001 0.000 0.335 826 M C -1.198 175.173 176.300 0.119 0.000 1.079 826 M CA -0.561 54.811 55.300 0.120 0.000 0.982 826 M CB 1.163 33.834 32.600 0.118 0.000 1.651 826 M HN 0.711 nan 8.290 nan 0.000 0.437 827 L N 4.161 125.453 121.223 0.114 0.000 2.416 827 L HA 0.173 4.514 4.340 0.001 0.000 0.272 827 L C 0.027 176.966 176.870 0.117 0.000 1.161 827 L CA -0.368 54.544 54.840 0.121 0.000 0.845 827 L CB 0.323 42.464 42.059 0.137 0.000 1.119 827 L HN 0.670 nan 8.230 nan 0.000 0.464 828 D N 1.467 121.939 120.400 0.120 0.000 2.357 828 D HA 0.008 4.649 4.640 0.001 0.000 0.242 828 D C 0.940 177.329 176.300 0.148 0.000 1.153 828 D CA -0.273 53.807 54.000 0.135 0.000 0.918 828 D CB 0.938 41.818 40.800 0.133 0.000 1.181 828 D HN 0.322 nan 8.370 nan 0.000 0.435 829 R N 1.997 122.591 120.500 0.156 0.000 2.091 829 R HA -0.181 4.160 4.340 0.001 0.000 0.238 829 R C 1.503 177.881 176.300 0.129 0.000 1.136 829 R CA 1.750 57.911 56.100 0.103 0.000 0.959 829 R CB -0.461 29.895 30.300 0.094 0.000 0.856 829 R HN 0.545 nan 8.270 nan 0.000 0.437 830 N N 0.452 119.275 118.700 0.205 0.000 2.244 830 N HA -0.178 4.562 4.740 0.001 0.000 0.183 830 N C 1.178 176.781 175.510 0.155 0.000 1.016 830 N CA 1.774 54.938 53.050 0.189 0.000 0.866 830 N CB -0.419 38.232 38.487 0.273 0.000 0.980 830 N HN 0.489 nan 8.380 nan 0.000 0.430 831 E N 0.323 120.617 120.200 0.157 0.000 2.072 831 E HA -0.145 4.206 4.350 0.001 0.000 0.191 831 E C 1.394 178.068 176.600 0.123 0.000 0.985 831 E CA 0.895 57.377 56.400 0.137 0.000 0.801 831 E CB -0.084 29.696 29.700 0.134 0.000 0.750 831 E HN 0.420 nan 8.360 nan 0.000 0.452 832 D N 0.803 121.282 120.400 0.132 0.000 2.084 832 D HA -0.151 4.489 4.640 0.001 0.000 0.194 832 D C 2.039 178.420 176.300 0.134 0.000 0.990 832 D CA 1.125 55.222 54.000 0.161 0.000 0.826 832 D CB 0.069 40.999 40.800 0.217 0.000 0.971 832 D HN 0.138 nan 8.370 nan 0.000 0.453 833 M N -0.011 119.640 119.600 0.084 0.000 2.213 833 M HA -0.169 4.312 4.480 0.001 0.000 0.263 833 M C 2.325 178.656 176.300 0.052 0.000 1.062 833 M CA 0.782 56.102 55.300 0.032 0.000 1.105 833 M CB -0.124 32.463 32.600 -0.021 0.000 1.385 833 M HN 0.075 nan 8.290 nan 0.000 0.417 834 L N 0.278 121.547 121.223 0.077 0.000 2.072 834 L HA -0.029 4.312 4.340 0.001 0.000 0.205 834 L C 1.914 178.848 176.870 0.106 0.000 1.079 834 L CA 1.794 56.689 54.840 0.092 0.000 0.752 834 L CB -0.149 41.972 42.059 0.103 0.000 0.906 834 L HN 0.193 nan 8.230 nan 0.000 0.436 835 I N -1.381 119.249 120.570 0.100 0.000 2.927 835 I HA -0.069 4.102 4.170 0.001 0.000 0.268 835 I C 1.739 177.897 176.117 0.068 0.000 1.153 835 I CA 1.086 62.440 61.300 0.090 0.000 1.459 835 I CB -0.208 37.842 38.000 0.084 0.000 1.149 835 I HN 0.352 nan 8.210 nan 0.000 0.443 836 T N -1.361 113.236 114.554 0.072 0.000 3.107 836 T HA 0.441 4.791 4.350 0.001 0.000 0.249 836 T C 0.931 175.716 174.700 0.142 0.000 1.096 836 T CA 0.206 62.332 62.100 0.042 0.000 1.012 836 T CB -0.171 68.674 68.868 -0.038 0.000 0.977 836 T HN 0.472 nan 8.240 nan 0.000 0.527 837 G N -0.676 108.214 108.800 0.150 0.000 2.787 837 G HA2 0.351 4.312 3.960 0.001 0.000 0.685 837 G HA3 0.351 4.312 3.960 0.001 0.000 0.685 837 G C -0.097 174.952 174.900 0.249 0.000 1.437 837 G CA -0.568 44.628 45.100 0.160 0.000 0.872 837 G HN 1.141 nan 8.290 nan 0.000 0.566 838 G N -0.800 108.102 108.800 0.170 0.000 3.021 838 G HA2 0.771 4.731 3.960 0.001 0.000 0.290 838 G HA3 0.771 4.731 3.960 0.001 0.000 0.290 838 G C 0.021 175.012 174.900 0.152 0.000 1.291 838 G CA -0.012 45.158 45.100 0.117 0.000 0.834 838 G HN 0.832 nan 8.290 nan 0.000 0.564 839 R N -0.623 119.974 120.500 0.162 0.000 2.738 839 R HA 0.218 4.559 4.340 0.001 0.000 0.268 839 R C -0.639 175.712 176.300 0.084 0.000 1.062 839 R CA -0.218 55.967 56.100 0.142 0.000 1.158 839 R CB 0.048 30.256 30.300 -0.153 0.000 1.046 839 R HN 0.573 nan 8.270 nan 0.000 0.493 840 H N 3.202 122.336 119.070 0.107 0.000 2.668 840 H HA 0.219 4.776 4.556 0.001 0.000 0.303 840 H C -2.037 173.411 175.328 0.200 0.000 1.074 840 H CA -1.527 54.627 56.048 0.176 0.000 1.406 840 H CB 0.990 30.934 29.762 0.302 0.000 1.442 840 H HN 0.422 nan 8.280 nan 0.000 0.482 841 P HA 0.015 nan 4.420 nan 0.000 0.268 841 P C -0.810 176.655 177.300 0.275 0.000 1.205 841 P CA 0.468 63.621 63.100 0.089 0.000 0.771 841 P CB 0.509 32.254 31.700 0.074 0.000 0.858 842 F N 1.892 121.752 119.950 -0.149 0.000 2.540 842 F HA 0.482 5.010 4.527 0.001 0.000 0.317 842 F C -0.159 175.671 175.800 0.051 0.000 1.104 842 F CA -1.133 56.886 58.000 0.033 0.000 0.913 842 F CB 1.694 40.753 39.000 0.098 0.000 1.170 842 F HN 0.086 nan 8.300 nan 0.000 0.450 843 L N 3.663 125.099 121.223 0.356 0.000 2.322 843 L HA 0.884 5.224 4.340 0.001 0.000 0.281 843 L C -1.000 176.122 176.870 0.420 0.000 1.014 843 L CA -0.235 54.856 54.840 0.419 0.000 0.815 843 L CB 1.453 43.739 42.059 0.378 0.000 1.247 843 L HN 0.620 nan 8.230 nan 0.000 0.421 844 A N 5.238 128.284 122.820 0.377 0.000 2.371 844 A HA 0.855 5.176 4.320 0.001 0.000 0.311 844 A C -0.871 176.908 177.584 0.326 0.000 1.068 844 A CA -0.742 51.477 52.037 0.303 0.000 0.744 844 A CB 1.122 20.253 19.000 0.219 0.000 1.239 844 A HN 0.736 nan 8.150 nan 0.000 0.435 845 R N 1.236 121.896 120.500 0.267 0.000 2.393 845 R HA 0.566 4.907 4.340 0.001 0.000 0.315 845 R C -1.464 174.939 176.300 0.172 0.000 0.952 845 R CA -0.370 55.835 56.100 0.174 0.000 0.842 845 R CB 1.409 31.790 30.300 0.135 0.000 1.163 845 R HN 0.806 nan 8.270 nan 0.000 0.450 846 Y N -0.576 119.761 120.300 0.062 0.000 2.570 846 Y HA 0.674 5.225 4.550 0.001 0.000 0.345 846 Y C -0.901 175.014 175.900 0.026 0.000 1.014 846 Y CA -1.400 56.725 58.100 0.042 0.000 1.063 846 Y CB 1.884 40.398 38.460 0.089 0.000 1.272 846 Y HN 0.339 nan 8.280 nan 0.000 0.477 847 K N 2.199 122.678 120.400 0.132 0.000 2.581 847 K HA 0.640 4.961 4.320 0.001 0.000 0.249 847 K C -2.560 174.180 176.600 0.234 0.000 0.966 847 K CA -0.810 55.526 56.287 0.081 0.000 0.811 847 K CB 2.472 34.919 32.500 -0.088 0.000 1.223 847 K HN 0.812 nan 8.250 nan 0.000 0.438 848 V N 3.361 123.412 119.914 0.228 0.000 2.540 848 V HA 0.788 4.908 4.120 0.001 0.000 0.302 848 V C -0.467 175.855 176.094 0.381 0.000 1.035 848 V CA -0.230 62.144 62.300 0.123 0.000 0.873 848 V CB 1.552 33.225 31.823 -0.251 0.000 0.992 848 V HN 0.864 nan 8.190 nan 0.000 0.428 849 G N 6.159 115.122 108.800 0.272 0.000 2.372 849 G HA2 0.739 4.700 3.960 0.001 0.000 0.323 849 G HA3 0.739 4.700 3.960 0.001 0.000 0.323 849 G C -1.129 173.876 174.900 0.176 0.000 1.152 849 G CA -0.508 44.707 45.100 0.192 0.000 0.906 849 G HN 1.011 nan 8.290 nan 0.000 0.460 850 F N 0.427 120.354 119.950 -0.039 0.000 2.685 850 F HA 0.756 5.283 4.527 0.001 0.000 0.315 850 F C -0.537 175.245 175.800 -0.029 0.000 1.126 850 F CA -1.858 56.108 58.000 -0.056 0.000 0.950 850 F CB 1.406 40.380 39.000 -0.045 0.000 1.360 850 F HN 0.205 nan 8.300 nan 0.000 0.469 851 M N 1.309 120.987 119.600 0.130 0.000 2.368 851 M HA 0.368 4.849 4.480 0.001 0.000 0.311 851 M C 0.871 177.240 176.300 0.115 0.000 1.168 851 M CA -0.547 54.774 55.300 0.034 0.000 1.044 851 M CB 1.358 33.974 32.600 0.027 0.000 1.506 851 M HN 0.809 nan 8.290 nan 0.000 0.475 852 K N 0.229 120.660 120.400 0.052 0.000 2.360 852 K HA -0.092 4.229 4.320 0.001 0.000 0.201 852 K C 1.426 178.091 176.600 0.108 0.000 1.046 852 K CA 1.558 57.897 56.287 0.086 0.000 0.945 852 K CB -0.254 32.268 32.500 0.037 0.000 0.750 852 K HN 0.858 nan 8.250 nan 0.000 0.464 853 T N -3.097 111.510 114.554 0.089 0.000 3.118 853 T HA 0.089 4.439 4.350 0.001 0.000 0.260 853 T C 1.418 176.170 174.700 0.087 0.000 1.139 853 T CA 0.687 62.834 62.100 0.077 0.000 1.085 853 T CB 0.227 69.126 68.868 0.051 0.000 0.934 853 T HN 0.333 nan 8.240 nan 0.000 0.518 854 G N 0.667 109.547 108.800 0.133 0.000 2.176 854 G HA2 -0.229 3.732 3.960 0.001 0.000 0.232 854 G HA3 -0.229 3.732 3.960 0.001 0.000 0.232 854 G C 0.191 175.113 174.900 0.037 0.000 0.986 854 G CA -0.003 45.150 45.100 0.088 0.000 0.643 854 G HN 0.662 nan 8.290 nan 0.000 0.522 855 T N 3.022 117.607 114.554 0.051 0.000 2.834 855 T HA 0.472 4.823 4.350 0.001 0.000 0.298 855 T C 0.994 175.711 174.700 0.028 0.000 0.966 855 T CA 0.027 62.128 62.100 0.001 0.000 1.141 855 T CB 0.813 69.674 68.868 -0.011 0.000 0.905 855 T HN 0.249 nan 8.240 nan 0.000 0.535 856 I N 3.924 124.473 120.570 -0.034 0.000 2.519 856 I HA 0.188 4.358 4.170 0.001 0.000 0.287 856 I C 1.060 177.120 176.117 -0.094 0.000 1.047 856 I CA -0.030 61.237 61.300 -0.055 0.000 1.381 856 I CB 1.187 39.102 38.000 -0.141 0.000 1.417 856 I HN 0.437 nan 8.210 nan 0.000 0.540 857 V N 4.141 123.982 119.914 -0.121 0.000 3.305 857 V HA 0.424 4.545 4.120 0.001 0.000 0.247 857 V C 0.259 176.191 176.094 -0.271 0.000 1.426 857 V CA 0.557 62.765 62.300 -0.155 0.000 1.162 857 V CB 1.413 33.174 31.823 -0.103 0.000 0.961 857 V HN 0.883 nan 8.190 nan 0.000 0.449 858 A N 0.430 123.021 122.820 -0.382 0.000 2.574 858 A HA 0.836 5.157 4.320 0.001 0.000 0.297 858 A C -2.101 175.142 177.584 -0.568 0.000 1.062 858 A CA -0.354 51.297 52.037 -0.642 0.000 0.686 858 A CB 2.200 20.421 19.000 -1.298 0.000 1.285 858 A HN 0.316 nan 8.150 nan 0.000 0.403 859 L N 0.455 121.410 121.223 -0.447 0.000 2.526 859 L HA 0.733 5.074 4.340 0.001 0.000 0.263 859 L C -1.057 175.765 176.870 -0.079 0.000 0.943 859 L CA 0.134 54.800 54.840 -0.290 0.000 0.859 859 L CB 2.072 43.872 42.059 -0.433 0.000 1.313 859 L HN 0.787 nan 8.230 nan 0.000 0.406 860 E N 3.444 123.697 120.200 0.088 0.000 2.224 860 E HA 0.749 5.100 4.350 0.001 0.000 0.265 860 E C -1.670 174.997 176.600 0.111 0.000 0.878 860 E CA -0.704 55.776 56.400 0.133 0.000 0.759 860 E CB 2.512 32.347 29.700 0.225 0.000 1.164 860 E HN 0.444 nan 8.360 nan 0.000 0.414 861 V N 3.230 123.202 119.914 0.095 0.000 2.569 861 V HA 0.279 4.400 4.120 0.001 0.000 0.301 861 V C -1.028 175.057 176.094 -0.015 0.000 1.044 861 V CA -1.026 61.301 62.300 0.046 0.000 0.874 861 V CB 1.974 33.799 31.823 0.004 0.000 1.002 861 V HN 0.638 nan 8.190 nan 0.000 0.424 862 D N 2.649 123.029 120.400 -0.033 0.000 2.280 862 D HA 0.458 5.098 4.640 0.001 0.000 0.236 862 D C -0.517 175.676 176.300 -0.177 0.000 1.082 862 D CA -0.217 53.737 54.000 -0.077 0.000 0.834 862 D CB 1.255 42.074 40.800 0.032 0.000 1.100 862 D HN 0.599 nan 8.370 nan 0.000 0.486 863 H N 1.255 120.214 119.070 -0.185 0.000 2.458 863 H HA 0.392 4.949 4.556 0.001 0.000 0.330 863 H C -0.719 174.282 175.328 -0.545 0.000 1.111 863 H CA -0.311 55.667 56.048 -0.117 0.000 1.245 863 H CB 0.802 30.595 29.762 0.053 0.000 1.456 863 H HN 0.286 nan 8.280 nan 0.000 0.488 864 Y N 0.463 120.735 120.300 -0.047 0.000 2.391 864 Y HA 0.381 4.931 4.550 0.001 0.000 0.341 864 Y C -0.145 175.496 175.900 -0.432 0.000 0.965 864 Y CA -0.981 57.028 58.100 -0.152 0.000 1.067 864 Y CB 1.869 40.336 38.460 0.012 0.000 1.199 864 Y HN 0.641 nan 8.280 nan 0.000 0.450 865 S N 1.663 117.122 115.700 -0.401 0.000 2.549 865 S HA 0.427 4.898 4.470 0.001 0.000 0.297 865 S C -0.745 173.859 174.600 0.007 0.000 1.115 865 S CA -0.985 56.949 58.200 -0.444 0.000 1.059 865 S CB 1.627 64.504 63.200 -0.537 0.000 1.046 865 S HN 0.629 nan 8.310 nan 0.000 0.506 866 N N 1.081 119.835 118.700 0.090 0.000 2.406 866 N HA 0.398 5.139 4.740 0.001 0.000 0.251 866 N C 0.532 176.110 175.510 0.114 0.000 1.069 866 N CA -0.216 52.894 53.050 0.099 0.000 0.947 866 N CB 1.332 39.852 38.487 0.055 0.000 1.111 866 N HN 0.798 nan 8.380 nan 0.000 0.497 867 A N 2.674 125.599 122.820 0.175 0.000 2.115 867 A HA 0.422 4.743 4.320 0.001 0.000 0.211 867 A C 1.134 178.799 177.584 0.135 0.000 1.169 867 A CA 0.831 53.014 52.037 0.242 0.000 0.787 867 A CB -0.608 18.656 19.000 0.441 0.000 0.858 867 A HN 0.917 nan 8.150 nan 0.000 0.474 868 G N 0.840 109.700 108.800 0.101 0.000 2.642 868 G HA2 -0.283 3.677 3.960 0.001 0.000 0.231 868 G HA3 -0.283 3.677 3.960 0.001 0.000 0.231 868 G C 0.219 175.216 174.900 0.162 0.000 1.338 868 G CA 0.235 45.372 45.100 0.063 0.000 0.883 868 G HN 1.085 nan 8.290 nan 0.000 0.570 869 N N 0.291 119.037 118.700 0.077 0.000 2.370 869 N HA 0.280 5.021 4.740 0.001 0.000 0.198 869 N C 0.604 176.179 175.510 0.108 0.000 1.156 869 N CA 1.224 54.322 53.050 0.079 0.000 0.839 869 N CB -0.098 38.350 38.487 -0.064 0.000 0.989 869 N HN 1.695 nan 8.380 nan 0.000 0.468 870 S N -1.609 114.126 115.700 0.059 0.000 2.625 870 S HA 0.496 4.967 4.470 0.001 0.000 0.271 870 S C 0.546 174.878 174.600 -0.447 0.000 1.161 870 S CA -0.943 57.191 58.200 -0.110 0.000 0.820 870 S CB 1.967 65.146 63.200 -0.034 0.000 1.137 870 S HN -0.008 nan 8.310 nan 0.000 0.470 871 R N 0.648 120.783 120.500 -0.608 0.000 2.070 871 R HA 0.045 4.385 4.340 0.001 0.000 0.233 871 R C 0.910 177.143 176.300 -0.112 0.000 1.137 871 R CA 1.665 57.408 56.100 -0.595 0.000 0.945 871 R CB -0.839 29.105 30.300 -0.595 0.000 0.845 871 R HN 0.898 nan 8.270 nan 0.000 0.430 872 D N -1.027 119.450 120.400 0.128 0.000 3.574 872 D HA -0.290 4.350 4.640 0.001 0.000 0.153 872 D C 0.128 176.628 176.300 0.333 0.000 0.965 872 D CA 2.134 56.288 54.000 0.257 0.000 1.047 872 D CB -0.760 40.155 40.800 0.193 0.000 0.492 872 D HN 0.106 nan 8.370 nan 0.000 0.492 873 L N 0.333 121.733 121.223 0.296 0.000 2.685 873 L HA 0.258 4.599 4.340 0.001 0.000 0.233 873 L C 1.924 178.863 176.870 0.114 0.000 1.173 873 L CA 0.087 55.114 54.840 0.312 0.000 0.961 873 L CB 0.060 42.371 42.059 0.420 0.000 1.217 873 L HN 0.156 nan 8.230 nan 0.000 0.478 874 S N -0.709 115.033 115.700 0.070 0.000 2.382 874 S HA -0.245 4.226 4.470 0.001 0.000 0.228 874 S C 1.852 176.368 174.600 -0.140 0.000 1.027 874 S CA 1.440 59.586 58.200 -0.091 0.000 0.991 874 S CB -0.210 63.036 63.200 0.077 0.000 0.823 874 S HN 0.584 nan 8.310 nan 0.000 0.469 875 H N 1.327 120.317 119.070 -0.133 0.000 2.299 875 H HA 0.025 4.582 4.556 0.001 0.000 0.302 875 H C 2.203 177.489 175.328 -0.071 0.000 1.078 875 H CA 1.878 57.845 56.048 -0.134 0.000 1.323 875 H CB -0.212 29.445 29.762 -0.175 0.000 1.381 875 H HN 0.243 nan 8.280 nan 0.000 0.498 876 S N -0.232 115.583 115.700 0.192 0.000 2.399 876 S HA -0.108 4.362 4.470 0.001 0.000 0.231 876 S C 2.196 176.866 174.600 0.116 0.000 1.022 876 S CA 1.209 59.577 58.200 0.280 0.000 0.983 876 S CB -0.173 63.355 63.200 0.547 0.000 0.803 876 S HN 0.356 nan 8.310 nan 0.000 0.480 877 I N 0.828 121.219 120.570 -0.298 0.000 2.226 877 I HA -0.198 3.973 4.170 0.001 0.000 0.245 877 I C 2.437 178.411 176.117 -0.237 0.000 1.100 877 I CA 1.103 62.029 61.300 -0.623 0.000 1.374 877 I CB -0.208 37.278 38.000 -0.856 0.000 1.057 877 I HN 0.285 nan 8.210 nan 0.000 0.413 878 M N 0.779 120.240 119.600 -0.232 0.000 2.175 878 M HA -0.182 4.299 4.480 0.001 0.000 0.264 878 M C 2.002 178.177 176.300 -0.209 0.000 1.063 878 M CA 1.802 56.991 55.300 -0.184 0.000 1.119 878 M CB -0.434 31.982 32.600 -0.307 0.000 1.377 878 M HN 0.122 nan 8.290 nan 0.000 0.415 879 E N -0.613 119.451 120.200 -0.227 0.000 2.058 879 E HA -0.261 4.090 4.350 0.001 0.000 0.194 879 E C 2.185 178.724 176.600 -0.101 0.000 0.997 879 E CA 1.478 57.757 56.400 -0.202 0.000 0.801 879 E CB -0.384 29.310 29.700 -0.010 0.000 0.746 879 E HN 0.548 nan 8.360 nan 0.000 0.450 880 R N 0.828 121.442 120.500 0.191 0.000 2.115 880 R HA -0.101 4.239 4.340 0.001 0.000 0.230 880 R C 2.242 178.717 176.300 0.291 0.000 1.111 880 R CA 1.113 57.467 56.100 0.422 0.000 0.976 880 R CB -0.156 30.404 30.300 0.433 0.000 0.870 880 R HN 0.139 nan 8.270 nan 0.000 0.445 881 A N 1.483 124.336 122.820 0.056 0.000 1.865 881 A HA -0.178 4.143 4.320 0.001 0.000 0.217 881 A C 2.191 179.742 177.584 -0.056 0.000 1.191 881 A CA 1.519 53.525 52.037 -0.052 0.000 0.623 881 A CB -0.746 18.182 19.000 -0.121 0.000 0.826 881 A HN 0.359 nan 8.150 nan 0.000 0.444 882 L N -1.827 119.307 121.223 -0.148 0.000 2.042 882 L HA -0.213 4.127 4.340 0.001 0.000 0.210 882 L C 2.520 179.459 176.870 0.114 0.000 1.076 882 L CA 1.552 56.344 54.840 -0.080 0.000 0.749 882 L CB -0.696 41.281 42.059 -0.137 0.000 0.893 882 L HN 0.452 nan 8.230 nan 0.000 0.432 883 F N -0.968 119.012 119.950 0.050 0.000 2.408 883 F HA -0.201 4.327 4.527 0.001 0.000 0.300 883 F C 1.774 177.559 175.800 -0.026 0.000 1.090 883 F CA 0.731 58.624 58.000 -0.179 0.000 1.427 883 F CB -0.203 38.578 39.000 -0.366 0.000 1.070 883 F HN 0.218 nan 8.300 nan 0.000 0.549 884 H N -0.990 118.261 119.070 0.302 0.000 2.674 884 H HA 0.140 4.697 4.556 0.001 0.000 0.274 884 H C 1.749 177.147 175.328 0.118 0.000 1.121 884 H CA -0.015 56.150 56.048 0.194 0.000 1.132 884 H CB -0.065 29.713 29.762 0.026 0.000 1.606 884 H HN 0.249 nan 8.280 nan 0.000 0.558 885 M N -0.200 119.516 119.600 0.193 0.000 2.630 885 M HA -0.015 4.465 4.480 0.001 0.000 0.254 885 M C 0.466 176.818 176.300 0.086 0.000 1.092 885 M CA 1.207 56.594 55.300 0.144 0.000 1.087 885 M CB 0.188 32.919 32.600 0.217 0.000 1.453 885 M HN 0.043 nan 8.290 nan 0.000 0.509 886 D N -0.844 119.553 120.400 -0.005 0.000 2.346 886 D HA -0.010 4.631 4.640 0.001 0.000 0.206 886 D C 0.911 177.234 176.300 0.037 0.000 1.001 886 D CA 0.259 54.273 54.000 0.023 0.000 0.871 886 D CB -0.486 40.317 40.800 0.005 0.000 0.943 886 D HN 0.472 nan 8.370 nan 0.000 0.518 887 N N 0.324 119.030 118.700 0.011 0.000 1.320 887 N HA -0.313 4.427 4.740 0.001 0.000 0.139 887 N C -0.014 175.411 175.510 -0.142 0.000 0.550 887 N CA 2.691 55.685 53.050 -0.094 0.000 1.036 887 N CB -1.294 37.066 38.487 -0.212 0.000 1.344 887 N HN 0.357 nan 8.380 nan 0.000 0.468 888 C N -0.177 118.743 119.300 -0.634 0.000 2.760 888 C HA 0.432 4.893 4.460 0.001 0.000 0.293 888 C C -0.708 173.824 174.990 -0.764 0.000 1.383 888 C CA -0.508 58.253 59.018 -0.428 0.000 1.771 888 C CB -1.876 25.649 27.740 -0.359 0.000 2.353 888 C HN 0.348 nan 8.230 nan 0.000 0.578 889 Y N 0.631 120.670 120.300 -0.435 0.000 2.364 889 Y HA 0.440 4.991 4.550 0.001 0.000 0.340 889 Y C 0.206 175.490 175.900 -1.027 0.000 0.975 889 Y CA -0.997 56.721 58.100 -0.637 0.000 1.089 889 Y CB 0.915 39.224 38.460 -0.252 0.000 1.192 889 Y HN -0.132 nan 8.280 nan 0.000 0.454 890 K N 3.810 123.701 120.400 -0.849 0.000 2.312 890 K HA 0.500 4.821 4.320 0.001 0.000 0.287 890 K C -1.552 174.892 176.600 -0.259 0.000 1.062 890 K CA 0.225 56.138 56.287 -0.622 0.000 0.934 890 K CB 0.028 32.290 32.500 -0.397 0.000 1.027 890 K HN 0.684 nan 8.250 nan 0.000 0.478 891 I N 8.393 128.865 120.570 -0.163 0.000 2.476 891 I HA 0.254 4.425 4.170 0.001 0.000 0.281 891 I C -1.590 174.469 176.117 -0.097 0.000 1.040 891 I CA -1.898 59.326 61.300 -0.126 0.000 1.094 891 I CB 2.190 40.117 38.000 -0.122 0.000 1.219 891 I HN 0.645 nan 8.210 nan 0.000 0.450 892 P HA -0.029 nan 4.420 nan 0.000 0.221 892 P C -0.323 176.930 177.300 -0.079 0.000 1.150 892 P CA 1.089 64.142 63.100 -0.079 0.000 0.800 892 P CB 0.235 31.885 31.700 -0.083 0.000 0.787 893 N N 0.437 119.062 118.700 -0.125 0.000 2.448 893 N HA 0.453 5.194 4.740 0.001 0.000 0.279 893 N C -0.853 174.565 175.510 -0.154 0.000 1.025 893 N CA -0.332 52.636 53.050 -0.136 0.000 0.898 893 N CB 2.450 40.817 38.487 -0.199 0.000 1.303 893 N HN 0.057 nan 8.380 nan 0.000 0.495 894 I N 0.812 121.339 120.570 -0.072 0.000 2.722 894 I HA 0.396 4.567 4.170 0.001 0.000 0.292 894 I C -1.574 174.563 176.117 0.033 0.000 1.267 894 I CA -0.645 60.630 61.300 -0.041 0.000 1.036 894 I CB 2.314 40.303 38.000 -0.018 0.000 1.281 894 I HN 0.391 nan 8.210 nan 0.000 0.423 895 R N 5.445 125.976 120.500 0.051 0.000 2.510 895 R HA 0.661 5.002 4.340 0.001 0.000 0.294 895 R C -1.521 174.850 176.300 0.118 0.000 1.056 895 R CA -0.561 55.595 56.100 0.094 0.000 0.918 895 R CB 1.888 32.240 30.300 0.085 0.000 1.187 895 R HN 0.806 nan 8.270 nan 0.000 0.437 896 G N 1.949 110.843 108.800 0.157 0.000 2.470 896 G HA2 0.491 4.452 3.960 0.001 0.000 0.320 896 G HA3 0.491 4.452 3.960 0.001 0.000 0.320 896 G C -0.572 174.423 174.900 0.158 0.000 1.245 896 G CA -0.425 44.795 45.100 0.199 0.000 0.935 896 G HN 0.587 nan 8.290 nan 0.000 0.476 897 T N -0.994 113.643 114.554 0.137 0.000 2.930 897 T HA 0.862 5.212 4.350 0.001 0.000 0.290 897 T C -0.007 174.695 174.700 0.005 0.000 1.052 897 T CA -0.589 61.527 62.100 0.027 0.000 1.017 897 T CB 2.357 71.194 68.868 -0.052 0.000 1.137 897 T HN 1.267 nan 8.240 nan 0.000 0.511 898 G N 0.914 109.621 108.800 -0.155 0.000 2.731 898 G HA2 0.626 4.587 3.960 0.001 0.000 0.298 898 G HA3 0.626 4.587 3.960 0.001 0.000 0.298 898 G C -1.427 173.255 174.900 -0.363 0.000 1.424 898 G CA -0.854 44.099 45.100 -0.245 0.000 1.029 898 G HN 0.629 nan 8.290 nan 0.000 0.518 899 R N 0.868 121.091 120.500 -0.461 0.000 2.750 899 R HA 0.500 4.841 4.340 0.001 0.000 0.281 899 R C -0.754 175.449 176.300 -0.161 0.000 0.972 899 R CA -0.913 54.951 56.100 -0.392 0.000 0.912 899 R CB 2.051 31.994 30.300 -0.595 0.000 1.187 899 R HN 0.475 nan 8.270 nan 0.000 0.464 900 L N 2.357 123.577 121.223 -0.006 0.000 2.265 900 L HA 0.456 4.796 4.340 0.001 0.000 0.289 900 L C -0.161 176.899 176.870 0.316 0.000 1.033 900 L CA -0.832 54.093 54.840 0.142 0.000 0.814 900 L CB 1.322 43.505 42.059 0.207 0.000 1.203 900 L HN 0.405 nan 8.230 nan 0.000 0.423 901 C N 2.860 122.327 119.300 0.278 0.000 2.452 901 C HA 0.260 4.721 4.460 0.001 0.000 0.379 901 C C 0.648 175.635 174.990 -0.004 0.000 1.275 901 C CA -0.761 58.368 59.018 0.185 0.000 2.056 901 C CB 0.575 28.397 27.740 0.138 0.000 2.506 901 C HN 0.696 nan 8.230 nan 0.000 0.560 902 K N 2.759 122.986 120.400 -0.289 0.000 2.263 902 K HA 0.529 4.849 4.320 0.001 0.000 0.272 902 K C -0.077 176.356 176.600 -0.277 0.000 1.033 902 K CA 0.108 56.076 56.287 -0.532 0.000 0.884 902 K CB 0.621 32.462 32.500 -1.099 0.000 1.107 902 K HN 0.942 nan 8.250 nan 0.000 0.460 903 T N 0.345 114.817 114.554 -0.135 0.000 2.883 903 T HA 0.300 4.651 4.350 0.001 0.000 0.296 903 T C -0.255 174.380 174.700 -0.108 0.000 1.117 903 T CA -1.099 60.928 62.100 -0.121 0.000 1.006 903 T CB 1.037 69.851 68.868 -0.090 0.000 1.191 903 T HN 0.531 nan 8.240 nan 0.000 0.508 904 N N 0.757 119.384 118.700 -0.122 0.000 3.259 904 N HA 0.455 5.196 4.740 0.001 0.000 0.308 904 N C -0.847 174.624 175.510 -0.065 0.000 1.334 904 N CA -0.178 52.809 53.050 -0.105 0.000 1.202 904 N CB -0.355 38.069 38.487 -0.105 0.000 1.485 904 N HN 0.393 nan 8.380 nan 0.000 0.549 905 L N -0.486 120.698 121.223 -0.065 0.000 2.333 905 L HA 0.465 4.805 4.340 0.001 0.000 0.263 905 L C 0.141 176.998 176.870 -0.022 0.000 1.014 905 L CA -1.168 53.639 54.840 -0.055 0.000 0.820 905 L CB 1.767 43.746 42.059 -0.132 0.000 1.352 905 L HN 0.073 nan 8.230 nan 0.000 0.421 906 S N 0.783 116.492 115.700 0.014 0.000 2.573 906 S HA -0.066 4.405 4.470 0.001 0.000 0.297 906 S C 0.278 174.884 174.600 0.010 0.000 1.280 906 S CA -0.005 58.208 58.200 0.023 0.000 1.061 906 S CB 0.524 63.764 63.200 0.067 0.000 0.812 906 S HN 0.584 nan 8.310 nan 0.000 0.500 907 S N 3.022 118.728 115.700 0.011 0.000 2.525 907 S HA 0.076 4.546 4.470 0.001 0.000 0.285 907 S C 0.214 174.822 174.600 0.013 0.000 1.283 907 S CA -0.564 57.647 58.200 0.018 0.000 1.072 907 S CB -0.164 63.054 63.200 0.030 0.000 0.867 907 S HN 0.617 nan 8.310 nan 0.000 0.492 908 N N 2.501 121.148 118.700 -0.088 0.000 2.476 908 N HA 0.493 5.234 4.740 0.001 0.000 0.275 908 N C 0.142 175.667 175.510 0.025 0.000 1.190 908 N CA -0.264 52.669 53.050 -0.194 0.000 0.977 908 N CB 1.688 39.753 38.487 -0.703 0.000 1.200 908 N HN 0.682 nan 8.380 nan 0.000 0.515 909 T N -1.345 113.339 114.554 0.218 0.000 2.590 909 T HA 0.650 5.001 4.350 0.001 0.000 0.282 909 T C -1.185 173.791 174.700 0.460 0.000 0.989 909 T CA -0.509 61.818 62.100 0.377 0.000 1.091 909 T CB 0.405 69.464 68.868 0.319 0.000 1.460 909 T HN 0.471 nan 8.240 nan 0.000 0.499 910 A N 1.071 124.180 122.820 0.482 0.000 2.462 910 A HA 0.585 4.905 4.320 0.001 0.000 0.243 910 A C -0.739 177.250 177.584 0.676 0.000 1.076 910 A CA 0.046 52.454 52.037 0.618 0.000 0.773 910 A CB -0.686 18.718 19.000 0.672 0.000 1.010 910 A HN 0.725 nan 8.150 nan 0.000 0.493 911 F N 2.262 122.493 119.950 0.468 0.000 2.630 911 F HA 0.419 4.947 4.527 0.001 0.000 0.325 911 F C 0.435 176.421 175.800 0.309 0.000 1.184 911 F CA -1.050 57.194 58.000 0.406 0.000 1.011 911 F CB 1.128 40.216 39.000 0.147 0.000 1.268 911 F HN 0.804 nan 8.300 nan 0.000 0.480 912 R N 4.293 125.231 120.500 0.731 0.000 4.180 912 R HA -0.049 4.291 4.340 0.001 0.000 0.125 912 R C 0.938 177.425 176.300 0.311 0.000 0.390 912 R CA 2.065 58.450 56.100 0.474 0.000 0.811 912 R CB -0.622 29.976 30.300 0.497 0.000 1.084 912 R HN 1.224 nan 8.270 nan 0.000 0.234 913 G N 3.646 112.594 108.800 0.247 0.000 2.491 913 G HA2 -0.315 3.646 3.960 0.001 0.000 0.203 913 G HA3 -0.315 3.646 3.960 0.001 0.000 0.203 913 G C 0.292 175.462 174.900 0.450 0.000 1.052 913 G CA -0.014 45.232 45.100 0.243 0.000 0.675 913 G HN 0.915 nan 8.290 nan 0.000 0.504 914 F N 0.855 120.921 119.950 0.194 0.000 2.983 914 F HA 0.092 4.620 4.527 0.001 0.000 0.288 914 F C 1.721 177.572 175.800 0.085 0.000 0.980 914 F CA 2.488 60.596 58.000 0.180 0.000 0.965 914 F CB -1.011 38.111 39.000 0.204 0.000 0.967 914 F HN 2.152 nan 8.300 nan 0.000 0.800 915 G N -0.406 108.364 108.800 -0.050 0.000 2.268 915 G HA2 -0.264 3.697 3.960 0.001 0.000 0.240 915 G HA3 -0.264 3.697 3.960 0.001 0.000 0.240 915 G C 1.498 176.291 174.900 -0.178 0.000 1.010 915 G CA 0.709 45.696 45.100 -0.189 0.000 0.618 915 G HN 1.563 nan 8.290 nan 0.000 0.516 916 G N 1.610 110.377 108.800 -0.055 0.000 2.404 916 G HA2 0.130 4.091 3.960 0.001 0.000 0.215 916 G HA3 0.130 4.091 3.960 0.001 0.000 0.215 916 G C 0.110 174.948 174.900 -0.104 0.000 1.174 916 G CA 1.924 46.940 45.100 -0.140 0.000 0.780 916 G HN 0.537 nan 8.290 nan 0.000 0.537 917 P HA -0.100 nan 4.420 nan 0.000 0.215 917 P C 1.769 179.097 177.300 0.047 0.000 1.153 917 P CA 1.359 64.518 63.100 0.097 0.000 0.853 917 P CB -0.018 31.742 31.700 0.101 0.000 0.788 918 Q N -0.361 119.326 119.800 -0.189 0.000 2.030 918 Q HA -0.145 4.196 4.340 0.001 0.000 0.204 918 Q C 2.316 178.250 176.000 -0.109 0.000 0.986 918 Q CA 2.245 57.876 55.803 -0.287 0.000 0.843 918 Q CB -1.389 26.703 28.738 -1.078 0.000 0.904 918 Q HN 0.181 nan 8.270 nan 0.000 0.420 919 A N 0.064 122.776 122.820 -0.180 0.000 1.930 919 A HA -0.099 4.222 4.320 0.001 0.000 0.217 919 A C 2.054 179.607 177.584 -0.051 0.000 1.175 919 A CA 1.056 53.095 52.037 0.004 0.000 0.627 919 A CB -0.592 18.397 19.000 -0.017 0.000 0.815 919 A HN 0.321 nan 8.150 nan 0.000 0.443 920 L N -2.090 118.985 121.223 -0.246 0.000 2.109 920 L HA -0.095 4.246 4.340 0.001 0.000 0.207 920 L C 2.411 178.989 176.870 -0.486 0.000 1.086 920 L CA 1.250 55.719 54.840 -0.619 0.000 0.760 920 L CB -0.491 40.692 42.059 -1.460 0.000 0.910 920 L HN 0.493 nan 8.230 nan 0.000 0.437 921 F N 0.958 120.767 119.950 -0.235 0.000 2.102 921 F HA -0.211 4.316 4.527 0.001 0.000 0.298 921 F C 2.220 177.999 175.800 -0.034 0.000 1.105 921 F CA 1.453 59.522 58.000 0.114 0.000 1.239 921 F CB -0.223 38.882 39.000 0.175 0.000 0.991 921 F HN -0.107 nan 8.300 nan 0.000 0.474 922 I N 0.262 120.734 120.570 -0.163 0.000 2.286 922 I HA -0.308 3.863 4.170 0.001 0.000 0.248 922 I C 2.648 178.454 176.117 -0.518 0.000 1.115 922 I CA 1.219 62.346 61.300 -0.289 0.000 1.392 922 I CB -0.888 37.120 38.000 0.013 0.000 1.065 922 I HN 0.257 nan 8.210 nan 0.000 0.418 923 A N 0.216 122.745 122.820 -0.486 0.000 1.873 923 A HA -0.157 4.164 4.320 0.001 0.000 0.215 923 A C 2.236 179.007 177.584 -1.355 0.000 1.186 923 A CA 1.303 52.778 52.037 -0.937 0.000 0.616 923 A CB -0.369 18.399 19.000 -0.387 0.000 0.823 923 A HN 0.288 nan 8.150 nan 0.000 0.442 924 E N 0.004 119.751 120.200 -0.756 0.000 2.204 924 E HA -0.176 4.174 4.350 0.001 0.000 0.194 924 E C 1.746 177.757 176.600 -0.982 0.000 0.989 924 E CA 1.219 57.133 56.400 -0.810 0.000 0.824 924 E CB -0.462 28.895 29.700 -0.572 0.000 0.756 924 E HN 0.732 nan 8.360 nan 0.000 0.477 925 N N 1.166 119.419 118.700 -0.744 0.000 2.080 925 N HA -0.157 4.584 4.740 0.001 0.000 0.189 925 N C 1.960 177.202 175.510 -0.447 0.000 1.036 925 N CA 1.993 54.763 53.050 -0.466 0.000 0.846 925 N CB -0.387 37.802 38.487 -0.498 0.000 1.015 925 N HN 0.373 nan 8.380 nan 0.000 0.423 926 W N -0.404 120.608 121.300 -0.480 0.000 2.374 926 W HA -0.112 4.549 4.660 0.001 0.000 0.288 926 W C 1.738 178.055 176.519 -0.337 0.000 1.218 926 W CA 0.363 57.472 57.345 -0.393 0.000 1.245 926 W CB -0.847 28.367 29.460 -0.411 0.000 1.126 926 W HN 0.169 nan 8.180 nan 0.000 0.545 927 M N 3.434 122.680 119.600 -0.590 0.000 2.117 927 M HA -0.194 4.286 4.480 0.001 0.000 0.262 927 M C 2.540 178.634 176.300 -0.343 0.000 1.065 927 M CA 2.913 57.927 55.300 -0.476 0.000 1.114 927 M CB -0.839 31.223 32.600 -0.898 0.000 1.361 927 M HN 0.081 nan 8.290 nan 0.000 0.408 928 S N -0.895 114.574 115.700 -0.385 0.000 2.399 928 S HA -0.145 4.326 4.470 0.001 0.000 0.231 928 S C 1.788 176.313 174.600 -0.126 0.000 1.022 928 S CA 1.459 59.515 58.200 -0.241 0.000 0.983 928 S CB -0.786 62.293 63.200 -0.202 0.000 0.803 928 S HN 0.701 nan 8.310 nan 0.000 0.480 929 E N 0.808 120.946 120.200 -0.104 0.000 2.072 929 E HA -0.020 4.330 4.350 0.001 0.000 0.190 929 E C 2.143 178.672 176.600 -0.118 0.000 0.982 929 E CA 0.977 57.355 56.400 -0.037 0.000 0.803 929 E CB -0.319 29.418 29.700 0.061 0.000 0.755 929 E HN 0.375 nan 8.360 nan 0.000 0.453 930 V N 1.730 121.473 119.914 -0.285 0.000 2.252 930 V HA -0.351 3.770 4.120 0.001 0.000 0.249 930 V C 2.394 178.301 176.094 -0.313 0.000 1.056 930 V CA 2.126 64.034 62.300 -0.653 0.000 1.022 930 V CB -0.845 30.515 31.823 -0.771 0.000 0.641 930 V HN 0.346 nan 8.190 nan 0.000 0.445 931 A N -0.501 122.212 122.820 -0.178 0.000 1.883 931 A HA -0.181 4.140 4.320 0.001 0.000 0.217 931 A C 2.399 179.984 177.584 0.001 0.000 1.186 931 A CA 2.234 54.233 52.037 -0.064 0.000 0.624 931 A CB -0.772 18.205 19.000 -0.037 0.000 0.822 931 A HN 0.340 nan 8.150 nan 0.000 0.444 932 V N -0.205 119.713 119.914 0.005 0.000 2.295 932 V HA -0.252 3.869 4.120 0.001 0.000 0.246 932 V C 2.767 178.911 176.094 0.084 0.000 1.049 932 V CA 2.539 64.871 62.300 0.054 0.000 1.024 932 V CB -1.326 30.535 31.823 0.064 0.000 0.648 932 V HN 0.630 nan 8.190 nan 0.000 0.447 933 T N -1.195 113.421 114.554 0.103 0.000 2.720 933 T HA -0.250 4.100 4.350 0.001 0.000 0.268 933 T C 1.759 176.579 174.700 0.199 0.000 1.037 933 T CA 2.001 64.215 62.100 0.191 0.000 1.144 933 T CB -0.514 68.573 68.868 0.365 0.000 0.864 933 T HN 0.546 nan 8.240 nan 0.000 0.444 934 C N 0.902 120.314 119.300 0.186 0.000 2.562 934 C HA 0.413 4.874 4.460 0.001 0.000 0.266 934 C C 2.113 177.169 174.990 0.111 0.000 1.382 934 C CA -0.391 58.730 59.018 0.172 0.000 1.742 934 C CB -1.501 26.339 27.740 0.167 0.000 1.812 934 C HN 0.825 nan 8.230 nan 0.000 0.559 935 G N 1.165 110.022 108.800 0.095 0.000 2.305 935 G HA2 -0.261 3.700 3.960 0.001 0.000 0.287 935 G HA3 -0.261 3.700 3.960 0.001 0.000 0.287 935 G C -0.201 174.744 174.900 0.075 0.000 1.036 935 G CA 0.189 45.336 45.100 0.078 0.000 0.887 935 G HN 0.572 nan 8.290 nan 0.000 0.505 936 L N -0.361 120.908 121.223 0.076 0.000 2.334 936 L HA 0.511 4.852 4.340 0.001 0.000 0.273 936 L C -1.864 175.061 176.870 0.091 0.000 1.013 936 L CA -2.619 52.270 54.840 0.082 0.000 0.816 936 L CB 1.785 43.893 42.059 0.081 0.000 1.278 936 L HN -0.135 nan 8.230 nan 0.000 0.431 937 P HA 0.013 nan 4.420 nan 0.000 0.265 937 P C 0.099 177.487 177.300 0.147 0.000 1.193 937 P CA -0.012 63.175 63.100 0.145 0.000 0.765 937 P CB 0.901 32.716 31.700 0.193 0.000 0.823 938 A N 4.197 127.101 122.820 0.139 0.000 1.972 938 A HA -0.197 4.124 4.320 0.001 0.000 0.219 938 A C 1.896 179.581 177.584 0.169 0.000 1.169 938 A CA 1.505 53.607 52.037 0.107 0.000 0.635 938 A CB -0.856 18.186 19.000 0.070 0.000 0.810 938 A HN 0.667 nan 8.150 nan 0.000 0.446 939 E N 0.723 121.065 120.200 0.236 0.000 2.204 939 E HA -0.220 4.131 4.350 0.001 0.000 0.194 939 E C 1.445 178.308 176.600 0.439 0.000 0.989 939 E CA 1.507 58.125 56.400 0.364 0.000 0.824 939 E CB -0.519 29.233 29.700 0.086 0.000 0.756 939 E HN 0.749 nan 8.360 nan 0.000 0.477 940 E N 0.661 121.049 120.200 0.313 0.000 2.072 940 E HA -0.091 4.260 4.350 0.001 0.000 0.191 940 E C 2.316 179.052 176.600 0.226 0.000 0.985 940 E CA 1.362 57.939 56.400 0.296 0.000 0.801 940 E CB 0.104 29.935 29.700 0.219 0.000 0.750 940 E HN 0.112 nan 8.360 nan 0.000 0.452 941 V N 1.273 121.265 119.914 0.130 0.000 2.358 941 V HA -0.248 3.873 4.120 0.001 0.000 0.246 941 V C 2.229 178.292 176.094 -0.053 0.000 1.047 941 V CA 1.679 63.991 62.300 0.020 0.000 1.035 941 V CB -0.478 31.322 31.823 -0.037 0.000 0.658 941 V HN 0.196 nan 8.190 nan 0.000 0.452 942 R N -0.955 119.540 120.500 -0.009 0.000 2.073 942 R HA -0.198 4.142 4.340 0.001 0.000 0.234 942 R C 2.277 178.531 176.300 -0.077 0.000 1.134 942 R CA 1.994 58.038 56.100 -0.093 0.000 0.952 942 R CB -0.514 29.805 30.300 0.031 0.000 0.850 942 R HN 0.722 nan 8.270 nan 0.000 0.433 943 W N 3.648 124.837 121.300 -0.186 0.000 2.335 943 W HA -0.262 4.399 4.660 0.001 0.000 0.311 943 W C 1.621 178.070 176.519 -0.115 0.000 1.213 943 W CA 1.887 59.090 57.345 -0.236 0.000 1.274 943 W CB -0.022 29.459 29.460 0.036 0.000 1.148 943 W HN 0.075 nan 8.180 nan 0.000 0.498 944 K N -0.180 120.143 120.400 -0.128 0.000 2.283 944 K HA -0.127 4.193 4.320 0.001 0.000 0.202 944 K C 1.261 177.695 176.600 -0.277 0.000 1.048 944 K CA 1.481 57.619 56.287 -0.248 0.000 0.948 944 K CB -0.630 31.846 32.500 -0.040 0.000 0.742 944 K HN 0.015 nan 8.250 nan 0.000 0.458 945 N N 0.600 119.162 118.700 -0.229 0.000 2.336 945 N HA 0.047 4.788 4.740 0.001 0.000 0.189 945 N C 0.017 175.429 175.510 -0.162 0.000 1.113 945 N CA 0.066 53.002 53.050 -0.191 0.000 0.858 945 N CB 0.245 38.600 38.487 -0.221 0.000 0.970 945 N HN 0.330 nan 8.380 nan 0.000 0.471 946 M N 0.788 120.232 119.600 -0.260 0.000 2.233 946 M HA 0.076 4.557 4.480 0.001 0.000 0.350 946 M C -0.367 175.735 176.300 -0.330 0.000 1.176 946 M CA -0.323 54.821 55.300 -0.259 0.000 1.150 946 M CB 0.594 32.962 32.600 -0.388 0.000 1.530 946 M HN 0.001 nan 8.290 nan 0.000 0.459 947 Y N 3.902 124.010 120.300 -0.319 0.000 2.709 947 Y HA -0.066 4.484 4.550 0.001 0.000 0.348 947 Y C 0.445 176.016 175.900 -0.547 0.000 1.267 947 Y CA 0.391 58.169 58.100 -0.537 0.000 1.486 947 Y CB 0.412 38.282 38.460 -0.983 0.000 1.356 947 Y HN 0.493 nan 8.280 nan 0.000 0.639 948 K N 0.515 120.740 120.400 -0.292 0.000 2.350 948 K HA 0.434 4.755 4.320 0.001 0.000 0.241 948 K C -1.040 175.389 176.600 -0.285 0.000 0.994 948 K CA -1.315 54.837 56.287 -0.224 0.000 0.839 948 K CB 1.343 33.758 32.500 -0.141 0.000 1.244 948 K HN 0.391 nan 8.250 nan 0.000 0.443 949 E N 0.304 120.450 120.200 -0.090 0.000 2.820 949 E HA 0.001 4.352 4.350 0.001 0.000 0.251 949 E C 0.814 177.339 176.600 -0.124 0.000 0.944 949 E CA 2.263 58.627 56.400 -0.059 0.000 0.955 949 E CB -0.489 29.227 29.700 0.025 0.000 0.904 949 E HN 0.814 nan 8.360 nan 0.000 0.513 950 G N 3.886 112.589 108.800 -0.161 0.000 2.213 950 G HA2 -0.249 3.711 3.960 0.001 0.000 0.236 950 G HA3 -0.249 3.711 3.960 0.001 0.000 0.236 950 G C -0.099 174.688 174.900 -0.189 0.000 0.991 950 G CA -0.034 44.984 45.100 -0.138 0.000 0.629 950 G HN 0.641 nan 8.290 nan 0.000 0.517 951 D N 0.757 120.996 120.400 -0.268 0.000 2.419 951 D HA 0.393 5.034 4.640 0.001 0.000 0.236 951 D C 1.226 177.319 176.300 -0.345 0.000 1.165 951 D CA 0.241 54.084 54.000 -0.262 0.000 0.882 951 D CB 0.540 41.212 40.800 -0.213 0.000 1.201 951 D HN 0.373 nan 8.370 nan 0.000 0.443 952 L N 1.245 122.319 121.223 -0.248 0.000 2.334 952 L HA 0.250 4.591 4.340 0.001 0.000 0.277 952 L C 1.417 178.094 176.870 -0.322 0.000 1.075 952 L CA -0.759 53.911 54.840 -0.285 0.000 0.804 952 L CB 1.095 43.051 42.059 -0.172 0.000 1.174 952 L HN 0.453 nan 8.230 nan 0.000 0.438 953 T N -2.599 111.638 114.554 -0.528 0.000 2.689 953 T HA -0.005 4.346 4.350 0.001 0.000 0.308 953 T C 1.373 175.951 174.700 -0.204 0.000 1.021 953 T CA -0.186 61.649 62.100 -0.441 0.000 0.973 953 T CB 0.350 68.576 68.868 -1.069 0.000 1.113 953 T HN 0.739 nan 8.240 nan 0.000 0.522 954 H N 0.032 119.029 119.070 -0.121 0.000 2.524 954 H HA 0.027 4.583 4.556 0.001 0.000 0.282 954 H C 1.152 176.530 175.328 0.083 0.000 1.016 954 H CA 0.754 56.820 56.048 0.029 0.000 1.270 954 H CB -0.808 29.035 29.762 0.134 0.000 1.394 954 H HN 0.767 nan 8.280 nan 0.000 0.568 955 F N 0.005 119.744 119.950 -0.351 0.000 2.639 955 F HA 0.429 4.957 4.527 0.001 0.000 0.300 955 F C 0.044 175.832 175.800 -0.019 0.000 1.109 955 F CA -0.976 56.903 58.000 -0.202 0.000 1.335 955 F CB -0.076 38.663 39.000 -0.434 0.000 1.014 955 F HN -0.153 nan 8.300 nan 0.000 0.537 956 N N 1.272 119.838 118.700 -0.224 0.000 2.776 956 N HA -0.251 4.490 4.740 0.001 0.000 0.250 956 N C -0.168 175.247 175.510 -0.159 0.000 1.112 956 N CA 1.062 54.032 53.050 -0.132 0.000 0.733 956 N CB -1.122 37.364 38.487 -0.001 0.000 1.097 956 N HN 0.793 nan 8.380 nan 0.000 0.558 957 Q N 0.493 120.075 119.800 -0.364 0.000 2.256 957 Q HA 0.361 4.702 4.340 0.001 0.000 0.257 957 Q C 0.014 175.870 176.000 -0.240 0.000 0.936 957 Q CA -0.660 55.027 55.803 -0.194 0.000 0.903 957 Q CB 1.256 29.979 28.738 -0.027 0.000 1.263 957 Q HN 0.223 nan 8.270 nan 0.000 0.440 958 R N 3.904 124.337 120.500 -0.112 0.000 2.390 958 R HA 0.236 4.577 4.340 0.001 0.000 0.291 958 R C -0.880 175.357 176.300 -0.104 0.000 1.070 958 R CA -0.273 55.746 56.100 -0.135 0.000 1.014 958 R CB 0.407 30.666 30.300 -0.069 0.000 1.007 958 R HN 0.661 nan 8.270 nan 0.000 0.466 959 L N 5.469 126.548 121.223 -0.241 0.000 2.302 959 L HA 0.232 4.573 4.340 0.001 0.000 0.285 959 L C -0.137 176.721 176.870 -0.020 0.000 1.090 959 L CA 0.076 54.804 54.840 -0.186 0.000 0.866 959 L CB 0.677 42.410 42.059 -0.544 0.000 1.244 959 L HN 0.539 nan 8.230 nan 0.000 0.435 960 E N 2.309 122.575 120.200 0.111 0.000 2.175 960 E HA 0.442 4.793 4.350 0.001 0.000 0.278 960 E C 0.661 177.373 176.600 0.187 0.000 0.969 960 E CA -0.536 55.931 56.400 0.111 0.000 0.796 960 E CB 1.741 31.489 29.700 0.079 0.000 1.104 960 E HN 0.677 nan 8.360 nan 0.000 0.395 961 G N 2.984 111.868 108.800 0.140 0.000 2.272 961 G HA2 -0.310 3.650 3.960 0.001 0.000 0.280 961 G HA3 -0.310 3.650 3.960 0.001 0.000 0.280 961 G C -0.382 174.620 174.900 0.169 0.000 1.067 961 G CA -0.171 45.013 45.100 0.139 0.000 0.902 961 G HN 0.504 nan 8.290 nan 0.000 0.500 962 F N 2.260 122.150 119.950 -0.101 0.000 2.468 962 F HA 0.456 4.984 4.527 0.001 0.000 0.356 962 F C 1.432 176.951 175.800 -0.468 0.000 1.167 962 F CA -0.118 57.627 58.000 -0.424 0.000 1.135 962 F CB 0.684 39.489 39.000 -0.326 0.000 1.197 962 F HN 0.287 nan 8.300 nan 0.000 0.569 963 S N 2.922 118.002 115.700 -1.034 0.000 2.557 963 S HA 0.030 4.501 4.470 0.001 0.000 0.223 963 S C 1.570 175.831 174.600 -0.565 0.000 0.969 963 S CA 0.263 58.155 58.200 -0.514 0.000 0.927 963 S CB -0.367 62.725 63.200 -0.180 0.000 0.806 963 S HN 0.417 nan 8.310 nan 0.000 0.489 964 V N 2.935 122.176 119.914 -1.123 0.000 2.324 964 V HA -0.114 4.007 4.120 0.001 0.000 0.250 964 V C -0.401 175.616 176.094 -0.129 0.000 1.060 964 V CA 2.087 64.026 62.300 -0.602 0.000 1.042 964 V CB -1.771 29.604 31.823 -0.746 0.000 0.650 964 V HN 0.397 nan 8.190 nan 0.000 0.450 965 P HA -0.131 nan 4.420 nan 0.000 0.215 965 P C 1.788 179.219 177.300 0.217 0.000 1.153 965 P CA 1.452 64.727 63.100 0.290 0.000 0.853 965 P CB -0.115 31.795 31.700 0.351 0.000 0.788 966 R N -1.023 119.530 120.500 0.087 0.000 2.073 966 R HA -0.113 4.228 4.340 0.001 0.000 0.234 966 R C 2.314 178.657 176.300 0.071 0.000 1.134 966 R CA 1.717 57.856 56.100 0.064 0.000 0.952 966 R CB -1.276 29.038 30.300 0.024 0.000 0.850 966 R HN 0.229 nan 8.270 nan 0.000 0.433 967 C N -0.453 118.886 119.300 0.064 0.000 2.413 967 C HA -0.146 4.315 4.460 0.001 0.000 0.277 967 C C 2.364 177.435 174.990 0.134 0.000 1.265 967 C CA 0.106 59.175 59.018 0.085 0.000 1.752 967 C CB -1.096 26.697 27.740 0.087 0.000 1.998 967 C HN 0.667 nan 8.230 nan 0.000 0.489 968 W N 2.036 123.325 121.300 -0.018 0.000 2.378 968 W HA -0.097 4.564 4.660 0.001 0.000 0.313 968 W C 1.859 178.336 176.519 -0.071 0.000 1.197 968 W CA 1.580 58.912 57.345 -0.021 0.000 1.304 968 W CB -0.550 28.949 29.460 0.064 0.000 1.148 968 W HN 0.356 nan 8.180 nan 0.000 0.494 969 D N 0.285 120.744 120.400 0.099 0.000 2.117 969 D HA -0.257 4.384 4.640 0.001 0.000 0.197 969 D C 1.898 178.153 176.300 -0.075 0.000 0.987 969 D CA 2.105 56.075 54.000 -0.050 0.000 0.829 969 D CB -0.541 40.248 40.800 -0.017 0.000 0.961 969 D HN 0.489 nan 8.370 nan 0.000 0.460 970 E N 0.193 120.375 120.200 -0.030 0.000 2.152 970 E HA -0.139 4.211 4.350 0.001 0.000 0.192 970 E C 2.146 178.706 176.600 -0.066 0.000 0.983 970 E CA 0.806 57.185 56.400 -0.034 0.000 0.818 970 E CB -0.208 29.488 29.700 -0.007 0.000 0.758 970 E HN 0.162 nan 8.360 nan 0.000 0.467 971 C N 0.412 119.655 119.300 -0.094 0.000 2.446 971 C HA -0.010 4.450 4.460 0.001 0.000 0.277 971 C C 2.556 177.423 174.990 -0.205 0.000 1.275 971 C CA 0.540 59.478 59.018 -0.132 0.000 1.727 971 C CB -1.190 26.469 27.740 -0.134 0.000 2.010 971 C HN 0.565 nan 8.230 nan 0.000 0.486 972 L N 0.947 121.967 121.223 -0.337 0.000 1.990 972 L HA -0.227 4.113 4.340 0.001 0.000 0.213 972 L C 2.750 179.538 176.870 -0.137 0.000 1.072 972 L CA 2.407 57.034 54.840 -0.354 0.000 0.755 972 L CB -0.769 41.022 42.059 -0.446 0.000 0.889 972 L HN 0.438 nan 8.230 nan 0.000 0.432 973 K N 0.011 120.359 120.400 -0.088 0.000 2.001 973 K HA -0.174 4.146 4.320 0.001 0.000 0.208 973 K C 2.330 178.915 176.600 -0.025 0.000 1.048 973 K CA 1.755 58.027 56.287 -0.026 0.000 0.932 973 K CB -0.080 32.407 32.500 -0.022 0.000 0.715 973 K HN 0.339 nan 8.250 nan 0.000 0.437 974 S N 0.118 115.796 115.700 -0.037 0.000 2.428 974 S HA -0.098 4.372 4.470 0.001 0.000 0.230 974 S C 1.902 176.490 174.600 -0.021 0.000 1.014 974 S CA 1.232 59.417 58.200 -0.024 0.000 0.957 974 S CB -0.284 62.902 63.200 -0.023 0.000 0.784 974 S HN 0.427 nan 8.310 nan 0.000 0.499 975 S N 0.830 116.510 115.700 -0.034 0.000 2.562 975 S HA 0.084 4.555 4.470 0.001 0.000 0.221 975 S C 0.645 175.236 174.600 -0.015 0.000 0.975 975 S CA 0.172 58.360 58.200 -0.021 0.000 0.918 975 S CB -0.797 62.387 63.200 -0.026 0.000 0.772 975 S HN 0.597 nan 8.310 nan 0.000 0.531 976 Q N -0.690 119.104 119.800 -0.010 0.000 2.453 976 Q HA -0.292 4.048 4.340 0.001 0.000 0.294 976 Q C 0.245 176.228 176.000 -0.028 0.000 1.295 976 Q CA 0.791 56.594 55.803 -0.000 0.000 0.853 976 Q CB -2.498 26.238 28.738 -0.003 0.000 1.193 976 Q HN 0.803 nan 8.270 nan 0.000 0.461 977 Y N -0.214 119.956 120.300 -0.217 0.000 2.069 977 Y HA -0.367 4.184 4.550 0.001 0.000 0.278 977 Y C 1.755 177.459 175.900 -0.328 0.000 1.175 977 Y CA 2.646 60.541 58.100 -0.342 0.000 1.134 977 Y CB -0.406 37.705 38.460 -0.582 0.000 0.965 977 Y HN 0.372 nan 8.280 nan 0.000 0.498 978 Y N -0.496 119.813 120.300 0.015 0.000 2.097 978 Y HA -0.270 4.281 4.550 0.001 0.000 0.282 978 Y C 2.752 178.585 175.900 -0.111 0.000 1.152 978 Y CA 1.300 59.367 58.100 -0.055 0.000 1.136 978 Y CB -1.045 37.438 38.460 0.039 0.000 0.975 978 Y HN 0.232 nan 8.280 nan 0.000 0.498 979 A N 0.408 123.268 122.820 0.067 0.000 1.940 979 A HA -0.230 4.091 4.320 0.001 0.000 0.219 979 A C 2.220 179.771 177.584 -0.056 0.000 1.176 979 A CA 1.835 53.879 52.037 0.012 0.000 0.631 979 A CB -0.563 18.446 19.000 0.016 0.000 0.814 979 A HN 0.408 nan 8.150 nan 0.000 0.446 980 R N -0.809 119.615 120.500 -0.128 0.000 2.090 980 R HA -0.072 4.269 4.340 0.001 0.000 0.228 980 R C 2.286 178.462 176.300 -0.206 0.000 1.110 980 R CA 1.303 57.307 56.100 -0.160 0.000 0.973 980 R CB -0.291 29.908 30.300 -0.169 0.000 0.869 980 R HN 0.588 nan 8.270 nan 0.000 0.440 981 K N 0.653 120.856 120.400 -0.329 0.000 2.089 981 K HA -0.166 4.155 4.320 0.001 0.000 0.210 981 K C 1.995 178.530 176.600 -0.109 0.000 1.048 981 K CA 2.085 58.208 56.287 -0.272 0.000 0.926 981 K CB 0.053 32.348 32.500 -0.341 0.000 0.714 981 K HN 0.054 nan 8.250 nan 0.000 0.448 982 S N 0.851 116.513 115.700 -0.064 0.000 2.368 982 S HA -0.171 4.300 4.470 0.001 0.000 0.224 982 S C 1.758 176.352 174.600 -0.010 0.000 1.029 982 S CA 1.271 59.460 58.200 -0.019 0.000 0.988 982 S CB -0.294 62.905 63.200 -0.001 0.000 0.838 982 S HN 0.429 nan 8.310 nan 0.000 0.462 983 E N 1.555 121.742 120.200 -0.021 0.000 2.118 983 E HA -0.148 4.203 4.350 0.001 0.000 0.195 983 E C 1.982 178.597 176.600 0.025 0.000 0.992 983 E CA 1.146 57.547 56.400 0.002 0.000 0.804 983 E CB -0.182 29.508 29.700 -0.017 0.000 0.741 983 E HN 0.358 nan 8.360 nan 0.000 0.458 984 V N 2.061 121.965 119.914 -0.017 0.000 2.307 984 V HA -0.225 3.895 4.120 0.001 0.000 0.245 984 V C 2.017 178.153 176.094 0.069 0.000 1.045 984 V CA 2.114 64.416 62.300 0.002 0.000 1.024 984 V CB -0.531 31.259 31.823 -0.056 0.000 0.651 984 V HN 0.225 nan 8.190 nan 0.000 0.449 985 D N -0.067 120.352 120.400 0.033 0.000 2.104 985 D HA -0.207 4.434 4.640 0.001 0.000 0.194 985 D C 2.100 178.429 176.300 0.047 0.000 0.994 985 D CA 1.483 55.504 54.000 0.036 0.000 0.830 985 D CB -0.225 40.585 40.800 0.016 0.000 0.959 985 D HN 0.399 nan 8.370 nan 0.000 0.452 986 K N -0.113 120.318 120.400 0.052 0.000 2.001 986 K HA -0.190 4.131 4.320 0.001 0.000 0.214 986 K C 2.215 178.857 176.600 0.070 0.000 1.050 986 K CA 1.064 57.380 56.287 0.048 0.000 0.934 986 K CB -0.446 32.084 32.500 0.050 0.000 0.718 986 K HN 0.054 nan 8.250 nan 0.000 0.443 987 F N 2.173 122.109 119.950 -0.024 0.000 2.120 987 F HA -0.301 4.227 4.527 0.001 0.000 0.300 987 F C 1.816 177.602 175.800 -0.023 0.000 1.095 987 F CA 1.866 59.854 58.000 -0.021 0.000 1.249 987 F CB -0.249 38.736 39.000 -0.026 0.000 0.995 987 F HN 0.193 nan 8.300 nan 0.000 0.480 988 N N 0.599 119.399 118.700 0.167 0.000 2.142 988 N HA -0.157 4.584 4.740 0.001 0.000 0.186 988 N C 1.783 177.251 175.510 -0.070 0.000 1.023 988 N CA 1.242 54.325 53.050 0.055 0.000 0.852 988 N CB -0.426 38.110 38.487 0.081 0.000 0.998 988 N HN 0.335 nan 8.380 nan 0.000 0.424 989 K N 0.774 121.142 120.400 -0.055 0.000 2.103 989 K HA -0.082 4.239 4.320 0.001 0.000 0.207 989 K C 1.212 177.747 176.600 -0.108 0.000 1.048 989 K CA 1.198 57.442 56.287 -0.072 0.000 0.930 989 K CB 0.029 32.504 32.500 -0.041 0.000 0.716 989 K HN 0.294 nan 8.250 nan 0.000 0.444 990 E N -0.199 119.907 120.200 -0.156 0.000 2.479 990 E HA 0.054 4.405 4.350 0.001 0.000 0.193 990 E C -0.487 175.960 176.600 -0.254 0.000 1.049 990 E CA -0.012 56.280 56.400 -0.180 0.000 0.870 990 E CB 0.376 29.967 29.700 -0.182 0.000 0.944 990 E HN 0.207 nan 8.360 nan 0.000 0.492 991 N N 0.011 118.514 118.700 -0.329 0.000 2.430 991 N HA 0.063 4.804 4.740 0.001 0.000 0.290 991 N C -0.522 174.841 175.510 -0.245 0.000 1.063 991 N CA -0.187 52.668 53.050 -0.325 0.000 0.883 991 N CB 1.832 39.954 38.487 -0.607 0.000 1.465 991 N HN -0.003 nan 8.380 nan 0.000 0.493 992 C N 1.914 121.060 119.300 -0.256 0.000 2.512 992 C HA 0.187 4.647 4.460 0.001 0.000 0.276 992 C C 0.941 175.531 174.990 -0.666 0.000 1.368 992 C CA -0.007 58.696 59.018 -0.525 0.000 1.755 992 C CB -0.727 26.648 27.740 -0.608 0.000 2.008 992 C HN 0.865 nan 8.230 nan 0.000 0.511 993 W N 1.328 122.645 121.300 0.029 0.000 2.846 993 W HA 0.441 5.102 4.660 0.001 0.000 0.391 993 W C 0.456 177.032 176.519 0.096 0.000 1.011 993 W CA -0.392 57.002 57.345 0.081 0.000 1.832 993 W CB 0.215 29.700 29.460 0.041 0.000 1.151 993 W HN 0.016 nan 8.180 nan 0.000 0.582 994 K N 1.173 121.705 120.400 0.220 0.000 2.498 994 K HA 0.445 4.766 4.320 0.001 0.000 0.254 994 K C -0.404 176.377 176.600 0.303 0.000 0.933 994 K CA -0.898 55.556 56.287 0.278 0.000 0.806 994 K CB 2.404 35.119 32.500 0.358 0.000 1.301 994 K HN -0.418 nan 8.250 nan 0.000 0.432 995 K N 2.118 122.697 120.400 0.298 0.000 2.508 995 K HA 0.479 4.799 4.320 0.001 0.000 0.260 995 K C -0.740 175.962 176.600 0.170 0.000 0.949 995 K CA -0.829 55.622 56.287 0.274 0.000 0.834 995 K CB 2.430 35.004 32.500 0.122 0.000 1.365 995 K HN 0.528 nan 8.250 nan 0.000 0.437 996 R N -0.218 120.353 120.500 0.118 0.000 2.720 996 R HA 0.719 5.059 4.340 0.001 0.000 0.272 996 R C 0.062 176.353 176.300 -0.015 0.000 0.991 996 R CA -0.865 55.195 56.100 -0.065 0.000 1.010 996 R CB 1.815 31.965 30.300 -0.251 0.000 1.141 996 R HN 0.766 nan 8.270 nan 0.000 0.494 997 G N 0.873 109.651 108.800 -0.036 0.000 2.619 997 G HA2 0.611 4.572 3.960 0.001 0.000 0.296 997 G HA3 0.611 4.572 3.960 0.001 0.000 0.296 997 G C -2.049 172.842 174.900 -0.015 0.000 1.334 997 G CA -0.438 44.657 45.100 -0.009 0.000 0.934 997 G HN 0.371 nan 8.290 nan 0.000 0.476 998 L N 0.544 121.772 121.223 0.008 0.000 2.493 998 L HA 0.806 5.147 4.340 0.001 0.000 0.265 998 L C -1.083 175.851 176.870 0.106 0.000 0.954 998 L CA -0.528 54.320 54.840 0.015 0.000 0.844 998 L CB 1.758 43.763 42.059 -0.090 0.000 1.302 998 L HN 0.890 nan 8.230 nan 0.000 0.405 999 C N 5.690 125.082 119.300 0.154 0.000 2.985 999 C HA 0.693 5.154 4.460 0.001 0.000 0.332 999 C C -1.436 173.643 174.990 0.148 0.000 1.164 999 C CA -0.771 58.361 59.018 0.189 0.000 1.347 999 C CB 1.006 28.863 27.740 0.195 0.000 1.764 999 C HN 0.956 nan 8.230 nan 0.000 0.489 1000 I N 6.963 127.576 120.570 0.071 0.000 2.436 1000 I HA 0.740 4.911 4.170 0.001 0.000 0.289 1000 I C -0.795 175.386 176.117 0.107 0.000 1.010 1000 I CA -0.757 60.500 61.300 -0.072 0.000 1.098 1000 I CB 1.232 38.904 38.000 -0.547 0.000 1.266 1000 I HN 0.793 nan 8.210 nan 0.000 0.434 1001 I N 6.793 127.479 120.570 0.194 0.000 2.647 1001 I HA 0.767 4.937 4.170 0.001 0.000 0.295 1001 I C -2.905 173.437 176.117 0.375 0.000 1.078 1001 I CA -2.099 59.388 61.300 0.312 0.000 1.048 1001 I CB 2.256 40.357 38.000 0.169 0.000 1.239 1001 I HN 0.251 nan 8.210 nan 0.000 0.421 1002 P HA 0.446 nan 4.420 nan 0.000 0.283 1002 P C -0.853 176.618 177.300 0.285 0.000 1.278 1002 P CA -0.304 62.980 63.100 0.307 0.000 0.834 1002 P CB 2.108 33.883 31.700 0.125 0.000 1.150 1003 T N -1.292 113.428 114.554 0.276 0.000 2.853 1003 T HA 0.565 4.915 4.350 0.001 0.000 0.311 1003 T C -1.598 173.284 174.700 0.304 0.000 1.307 1003 T CA -0.709 61.578 62.100 0.311 0.000 1.019 1003 T CB 1.112 70.257 68.868 0.462 0.000 1.264 1003 T HN 0.660 nan 8.240 nan 0.000 0.497 1004 K N 1.823 122.408 120.400 0.307 0.000 2.469 1004 K HA 0.774 5.094 4.320 0.001 0.000 0.254 1004 K C -1.991 174.844 176.600 0.391 0.000 0.939 1004 K CA -0.914 55.569 56.287 0.326 0.000 0.812 1004 K CB 2.168 34.895 32.500 0.378 0.000 1.301 1004 K HN 0.470 nan 8.250 nan 0.000 0.433 1005 F N 0.943 120.969 119.950 0.127 0.000 2.573 1005 F HA 0.451 4.979 4.527 0.001 0.000 0.316 1005 F C -0.418 175.309 175.800 -0.121 0.000 1.148 1005 F CA -0.269 57.791 58.000 0.100 0.000 0.940 1005 F CB 2.139 41.109 39.000 -0.051 0.000 1.214 1005 F HN 0.813 nan 8.300 nan 0.000 0.448 1006 G N 6.154 114.512 108.800 -0.737 0.000 2.403 1006 G HA2 0.464 4.424 3.960 0.001 0.000 0.259 1006 G HA3 0.464 4.424 3.960 0.001 0.000 0.259 1006 G C -0.888 173.287 174.900 -1.207 0.000 1.244 1006 G CA -0.454 43.572 45.100 -1.790 0.000 0.849 1006 G HN 0.476 nan 8.290 nan 0.000 0.532 1007 I N 1.630 121.684 120.570 -0.860 0.000 2.330 1007 I HA 0.527 4.698 4.170 0.001 0.000 0.286 1007 I C 0.273 176.204 176.117 -0.310 0.000 1.025 1007 I CA -0.221 60.748 61.300 -0.551 0.000 1.197 1007 I CB 0.021 37.454 38.000 -0.945 0.000 1.358 1007 I HN 0.423 nan 8.210 nan 0.000 0.467 1008 S N 4.462 120.054 115.700 -0.180 0.000 2.758 1008 S HA 0.268 4.739 4.470 0.001 0.000 0.278 1008 S C -0.882 173.626 174.600 -0.154 0.000 0.905 1008 S CA -0.866 57.260 58.200 -0.125 0.000 0.960 1008 S CB 0.316 63.480 63.200 -0.060 0.000 1.211 1008 S HN 0.264 nan 8.310 nan 0.000 0.462 1009 F N 2.216 122.094 119.950 -0.120 0.000 2.484 1009 F HA 0.200 4.728 4.527 0.001 0.000 0.360 1009 F C 2.258 177.971 175.800 -0.146 0.000 1.101 1009 F CA 0.671 58.585 58.000 -0.144 0.000 1.251 1009 F CB 0.948 39.839 39.000 -0.181 0.000 1.132 1009 F HN 0.788 nan 8.300 nan 0.000 0.570 1010 T N -1.051 113.557 114.554 0.089 0.000 2.995 1010 T HA -0.007 4.344 4.350 0.001 0.000 0.269 1010 T C 0.595 175.327 174.700 0.052 0.000 1.091 1010 T CA 0.267 62.384 62.100 0.027 0.000 1.128 1010 T CB -0.419 68.580 68.868 0.218 0.000 0.891 1010 T HN 0.184 nan 8.240 nan 0.000 0.492 1011 V N 4.144 124.068 119.914 0.018 0.000 2.405 1011 V HA 0.187 4.307 4.120 0.001 0.000 0.264 1011 V C -1.207 174.726 176.094 -0.267 0.000 1.048 1011 V CA -1.475 60.717 62.300 -0.179 0.000 0.966 1011 V CB 1.173 32.747 31.823 -0.416 0.000 1.015 1011 V HN 0.204 nan 8.190 nan 0.000 0.477 1012 P HA -0.171 nan 4.420 nan 0.000 0.215 1012 P C 1.603 178.850 177.300 -0.089 0.000 1.157 1012 P CA 1.357 64.405 63.100 -0.086 0.000 0.868 1012 P CB -0.004 31.695 31.700 -0.002 0.000 0.788 1013 F N -1.213 118.710 119.950 -0.046 0.000 2.408 1013 F HA -0.049 4.478 4.527 0.001 0.000 0.300 1013 F C 1.578 177.294 175.800 -0.139 0.000 1.090 1013 F CA 0.911 58.868 58.000 -0.071 0.000 1.427 1013 F CB -1.862 37.106 39.000 -0.053 0.000 1.070 1013 F HN -0.178 nan 8.300 nan 0.000 0.549 1014 L N 0.671 121.632 121.223 -0.436 0.000 2.291 1014 L HA -0.072 4.269 4.340 0.001 0.000 0.214 1014 L C 0.841 177.471 176.870 -0.400 0.000 1.120 1014 L CA 0.558 55.045 54.840 -0.589 0.000 0.799 1014 L CB -0.728 40.563 42.059 -1.280 0.000 0.925 1014 L HN 0.155 nan 8.230 nan 0.000 0.446 1015 N N 2.424 121.040 118.700 -0.141 0.000 3.254 1015 N HA 0.041 4.782 4.740 0.001 0.000 0.308 1015 N C -0.429 175.002 175.510 -0.131 0.000 1.281 1015 N CA 0.190 53.224 53.050 -0.026 0.000 1.212 1015 N CB 0.176 38.651 38.487 -0.020 0.000 1.478 1015 N HN 0.540 nan 8.380 nan 0.000 0.548 1016 Q N -0.973 118.726 119.800 -0.168 0.000 2.456 1016 Q HA 0.830 5.171 4.340 0.001 0.000 0.284 1016 Q C -1.824 173.958 176.000 -0.363 0.000 1.061 1016 Q CA -1.306 54.310 55.803 -0.312 0.000 0.799 1016 Q CB 2.209 30.873 28.738 -0.124 0.000 1.445 1016 Q HN 0.067 nan 8.270 nan 0.000 0.411 1017 A N 0.464 122.914 122.820 -0.617 0.000 2.513 1017 A HA 0.829 5.150 4.320 0.001 0.000 0.296 1017 A C -0.861 176.548 177.584 -0.290 0.000 1.052 1017 A CA -0.088 51.702 52.037 -0.411 0.000 0.714 1017 A CB 1.777 20.380 19.000 -0.662 0.000 1.279 1017 A HN 0.928 nan 8.150 nan 0.000 0.397 1018 G N -0.088 108.821 108.800 0.183 0.000 2.473 1018 G HA2 0.896 4.857 3.960 0.001 0.000 0.321 1018 G HA3 0.896 4.857 3.960 0.001 0.000 0.321 1018 G C -0.441 174.653 174.900 0.324 0.000 1.200 1018 G CA -0.034 45.265 45.100 0.331 0.000 0.963 1018 G HN 1.910 nan 8.290 nan 0.000 0.483 1019 A N -0.128 122.843 122.820 0.251 0.000 2.498 1019 A HA 0.803 5.123 4.320 0.001 0.000 0.298 1019 A C -1.773 175.873 177.584 0.104 0.000 1.075 1019 A CA -0.606 51.545 52.037 0.190 0.000 0.714 1019 A CB 2.142 21.250 19.000 0.179 0.000 1.299 1019 A HN 1.347 nan 8.150 nan 0.000 0.407 1020 L N 1.685 122.924 121.223 0.025 0.000 2.409 1020 L HA 0.753 5.094 4.340 0.001 0.000 0.272 1020 L C -1.466 175.288 176.870 -0.193 0.000 0.980 1020 L CA -0.174 54.623 54.840 -0.072 0.000 0.826 1020 L CB 1.335 43.338 42.059 -0.093 0.000 1.268 1020 L HN 0.615 nan 8.230 nan 0.000 0.407 1021 I N 4.712 125.159 120.570 -0.204 0.000 2.498 1021 I HA 0.429 4.599 4.170 0.001 0.000 0.290 1021 I C -0.931 175.040 176.117 -0.243 0.000 1.032 1021 I CA -0.771 60.408 61.300 -0.202 0.000 1.073 1021 I CB 1.663 39.641 38.000 -0.038 0.000 1.251 1021 I HN 0.553 nan 8.210 nan 0.000 0.426 1022 H N 5.048 124.076 119.070 -0.070 0.000 2.524 1022 H HA 0.531 5.087 4.556 0.001 0.000 0.353 1022 H C -0.790 174.382 175.328 -0.261 0.000 1.136 1022 H CA -0.804 55.106 56.048 -0.230 0.000 1.193 1022 H CB 2.618 32.101 29.762 -0.464 0.000 1.558 1022 H HN 0.169 nan 8.280 nan 0.000 0.515 1023 V N 3.995 123.839 119.914 -0.116 0.000 2.384 1023 V HA 0.195 4.316 4.120 0.001 0.000 0.287 1023 V C -0.287 175.672 176.094 -0.224 0.000 1.020 1023 V CA -0.809 61.457 62.300 -0.056 0.000 0.850 1023 V CB 0.226 32.100 31.823 0.086 0.000 0.987 1023 V HN 0.586 nan 8.190 nan 0.000 0.436 1024 Y N 1.926 122.275 120.300 0.081 0.000 2.289 1024 Y HA 0.194 4.745 4.550 0.001 0.000 0.332 1024 Y C 2.129 177.991 175.900 -0.063 0.000 1.324 1024 Y CA 0.294 58.388 58.100 -0.010 0.000 1.478 1024 Y CB 0.749 39.204 38.460 -0.008 0.000 1.378 1024 Y HN 0.737 nan 8.280 nan 0.000 0.558 1025 T N -3.491 111.071 114.554 0.013 0.000 3.118 1025 T HA -0.118 4.233 4.350 0.001 0.000 0.260 1025 T C 0.761 175.426 174.700 -0.058 0.000 1.139 1025 T CA 0.885 62.909 62.100 -0.127 0.000 1.085 1025 T CB -0.377 68.278 68.868 -0.355 0.000 0.934 1025 T HN 0.711 nan 8.240 nan 0.000 0.518 1026 D N 0.913 121.322 120.400 0.016 0.000 2.349 1026 D HA 0.184 4.825 4.640 0.001 0.000 0.224 1026 D C 1.701 178.052 176.300 0.085 0.000 1.029 1026 D CA 0.498 54.515 54.000 0.029 0.000 0.879 1026 D CB -0.827 39.991 40.800 0.030 0.000 0.906 1026 D HN 0.538 nan 8.370 nan 0.000 0.528 1027 G N 0.487 109.351 108.800 0.106 0.000 2.184 1027 G HA2 -0.323 3.637 3.960 0.001 0.000 0.264 1027 G HA3 -0.323 3.637 3.960 0.001 0.000 0.264 1027 G C 0.447 175.619 174.900 0.453 0.000 0.975 1027 G CA 0.601 45.853 45.100 0.254 0.000 0.642 1027 G HN 0.862 nan 8.290 nan 0.000 0.536 1028 S N -0.713 115.164 115.700 0.295 0.000 2.572 1028 S HA 0.609 5.080 4.470 0.001 0.000 0.279 1028 S C 0.085 174.888 174.600 0.338 0.000 1.341 1028 S CA 0.032 58.400 58.200 0.280 0.000 1.043 1028 S CB 2.349 65.668 63.200 0.197 0.000 0.887 1028 S HN 1.113 nan 8.310 nan 0.000 0.516 1029 V N 3.255 123.335 119.914 0.277 0.000 2.540 1029 V HA 0.521 4.642 4.120 0.001 0.000 0.302 1029 V C -0.572 175.663 176.094 0.235 0.000 1.035 1029 V CA -0.841 61.598 62.300 0.232 0.000 0.873 1029 V CB 1.378 33.309 31.823 0.178 0.000 0.992 1029 V HN 0.891 nan 8.190 nan 0.000 0.428 1030 L N 6.328 127.683 121.223 0.220 0.000 2.298 1030 L HA 0.695 5.036 4.340 0.001 0.000 0.284 1030 L C -0.526 176.380 176.870 0.060 0.000 1.013 1030 L CA 0.064 55.040 54.840 0.227 0.000 0.824 1030 L CB 1.625 43.926 42.059 0.404 0.000 1.221 1030 L HN 0.447 nan 8.230 nan 0.000 0.418 1031 V N 4.125 124.055 119.914 0.028 0.000 2.472 1031 V HA 0.683 4.804 4.120 0.001 0.000 0.290 1031 V C 0.017 176.079 176.094 -0.054 0.000 1.037 1031 V CA -0.323 61.968 62.300 -0.016 0.000 0.908 1031 V CB 1.647 33.484 31.823 0.023 0.000 0.985 1031 V HN 0.864 nan 8.190 nan 0.000 0.454 1032 S N 3.304 118.966 115.700 -0.064 0.000 2.542 1032 S HA 0.847 5.318 4.470 0.001 0.000 0.293 1032 S C -1.018 173.571 174.600 -0.017 0.000 1.089 1032 S CA -0.555 57.580 58.200 -0.109 0.000 0.961 1032 S CB 1.190 64.323 63.200 -0.111 0.000 1.062 1032 S HN 1.104 nan 8.310 nan 0.000 0.483 1033 H N -0.330 118.688 119.070 -0.086 0.000 2.990 1033 H HA 0.619 5.175 4.556 0.001 0.000 0.343 1033 H C 0.851 176.058 175.328 -0.201 0.000 1.270 1033 H CA -0.480 55.525 56.048 -0.071 0.000 1.118 1033 H CB 0.652 30.389 29.762 -0.042 0.000 1.861 1033 H HN 0.582 nan 8.280 nan 0.000 0.544 1034 G N -0.289 108.414 108.800 -0.161 0.000 2.650 1034 G HA2 0.202 4.162 3.960 0.001 0.000 0.214 1034 G HA3 0.202 4.162 3.960 0.001 0.000 0.214 1034 G C 0.658 175.226 174.900 -0.553 0.000 1.136 1034 G CA 0.157 45.130 45.100 -0.210 0.000 0.789 1034 G HN 0.864 nan 8.290 nan 0.000 0.536 1035 G N -0.062 108.064 108.800 -1.122 0.000 2.476 1035 G HA2 0.459 4.420 3.960 0.001 0.000 0.269 1035 G HA3 0.459 4.420 3.960 0.001 0.000 0.269 1035 G C 0.065 174.778 174.900 -0.311 0.000 1.195 1035 G CA 0.357 45.048 45.100 -0.681 0.000 0.843 1035 G HN 0.365 nan 8.290 nan 0.000 0.545 1036 T N -1.557 112.883 114.554 -0.189 0.000 2.918 1036 T HA 0.566 4.916 4.350 0.001 0.000 0.286 1036 T C -0.492 174.047 174.700 -0.269 0.000 1.026 1036 T CA -0.822 61.166 62.100 -0.187 0.000 1.031 1036 T CB 2.300 71.090 68.868 -0.129 0.000 1.046 1036 T HN 0.437 nan 8.240 nan 0.000 0.479 1037 E N 2.143 122.146 120.200 -0.328 0.000 2.167 1037 E HA 0.397 4.748 4.350 0.001 0.000 0.284 1037 E C 0.380 176.894 176.600 -0.142 0.000 1.016 1037 E CA -0.675 55.537 56.400 -0.313 0.000 0.817 1037 E CB 0.682 30.181 29.700 -0.334 0.000 1.080 1037 E HN 0.763 nan 8.360 nan 0.000 0.397 1038 M N 2.447 121.968 119.600 -0.132 0.000 2.504 1038 M HA 0.491 4.972 4.480 0.001 0.000 0.370 1038 M C 0.759 176.991 176.300 -0.114 0.000 1.110 1038 M CA 0.130 55.343 55.300 -0.145 0.000 0.938 1038 M CB 0.782 33.230 32.600 -0.254 0.000 1.460 1038 M HN 0.573 nan 8.290 nan 0.000 0.535 1039 G N 1.720 110.519 108.800 -0.002 0.000 2.229 1039 G HA2 -0.237 3.724 3.960 0.001 0.000 0.189 1039 G HA3 -0.237 3.724 3.960 0.001 0.000 0.189 1039 G C 0.781 175.741 174.900 0.102 0.000 1.000 1039 G CA 0.317 45.446 45.100 0.047 0.000 0.663 1039 G HN 0.592 nan 8.290 nan 0.000 0.493 1040 Q N 1.495 121.318 119.800 0.039 0.000 2.444 1040 Q HA 0.334 4.675 4.340 0.001 0.000 0.206 1040 Q C 1.568 177.591 176.000 0.038 0.000 0.948 1040 Q CA 1.314 57.136 55.803 0.032 0.000 0.946 1040 Q CB -0.225 28.501 28.738 -0.020 0.000 1.027 1040 Q HN 1.886 nan 8.270 nan 0.000 0.513 1041 G N 1.796 110.624 108.800 0.047 0.000 2.160 1041 G HA2 -0.297 3.664 3.960 0.001 0.000 0.244 1041 G HA3 -0.297 3.664 3.960 0.001 0.000 0.244 1041 G C 0.373 175.175 174.900 -0.163 0.000 1.022 1041 G CA 0.393 45.410 45.100 -0.139 0.000 0.741 1041 G HN 0.396 nan 8.290 nan 0.000 0.508 1042 L N 0.154 121.280 121.223 -0.162 0.000 2.017 1042 L HA 0.031 4.372 4.340 0.001 0.000 0.208 1042 L C 2.536 179.348 176.870 -0.097 0.000 1.073 1042 L CA 2.903 57.659 54.840 -0.141 0.000 0.745 1042 L CB -0.538 41.418 42.059 -0.172 0.000 0.894 1042 L HN 0.409 nan 8.230 nan 0.000 0.432 1043 H N -0.874 118.148 119.070 -0.080 0.000 2.357 1043 H HA -0.063 4.494 4.556 0.001 0.000 0.301 1043 H C 2.141 177.392 175.328 -0.127 0.000 1.082 1043 H CA 1.733 57.743 56.048 -0.063 0.000 1.342 1043 H CB -0.931 28.779 29.762 -0.087 0.000 1.389 1043 H HN 0.348 nan 8.280 nan 0.000 0.511 1044 T N 1.415 115.915 114.554 -0.089 0.000 2.597 1044 T HA -0.192 4.159 4.350 0.001 0.000 0.267 1044 T C 2.033 176.700 174.700 -0.056 0.000 1.053 1044 T CA 1.846 63.878 62.100 -0.113 0.000 1.165 1044 T CB -0.090 68.652 68.868 -0.211 0.000 0.863 1044 T HN 0.358 nan 8.240 nan 0.000 0.427 1045 K N 0.194 120.558 120.400 -0.061 0.000 2.097 1045 K HA -0.002 4.319 4.320 0.001 0.000 0.206 1045 K C 2.405 178.993 176.600 -0.020 0.000 1.049 1045 K CA 1.101 57.367 56.287 -0.035 0.000 0.933 1045 K CB -0.149 32.328 32.500 -0.039 0.000 0.717 1045 K HN 0.250 nan 8.250 nan 0.000 0.442 1046 M N 0.274 119.853 119.600 -0.035 0.000 2.229 1046 M HA -0.101 4.380 4.480 0.001 0.000 0.264 1046 M C 2.214 178.514 176.300 -0.001 0.000 1.063 1046 M CA 1.198 56.471 55.300 -0.046 0.000 1.114 1046 M CB -0.556 31.957 32.600 -0.145 0.000 1.387 1046 M HN -0.059 nan 8.290 nan 0.000 0.420 1047 V N 0.320 120.234 119.914 -0.000 0.000 2.427 1047 V HA -0.246 3.875 4.120 0.001 0.000 0.248 1047 V C 2.370 178.468 176.094 0.005 0.000 1.051 1047 V CA 1.440 63.740 62.300 0.000 0.000 1.048 1047 V CB -0.695 31.122 31.823 -0.011 0.000 0.666 1047 V HN 0.506 nan 8.190 nan 0.000 0.456 1048 Q N -0.599 119.204 119.800 0.004 0.000 2.084 1048 Q HA -0.167 4.174 4.340 0.001 0.000 0.202 1048 Q C 2.372 178.391 176.000 0.031 0.000 0.978 1048 Q CA 1.782 57.587 55.803 0.003 0.000 0.844 1048 Q CB -0.314 28.420 28.738 -0.006 0.000 0.898 1048 Q HN 0.524 nan 8.270 nan 0.000 0.426 1049 V N 0.918 120.882 119.914 0.083 0.000 2.261 1049 V HA -0.285 3.835 4.120 0.001 0.000 0.246 1049 V C 2.256 178.460 176.094 0.183 0.000 1.047 1049 V CA 1.936 64.360 62.300 0.207 0.000 1.015 1049 V CB -0.938 30.998 31.823 0.189 0.000 0.642 1049 V HN 0.418 nan 8.190 nan 0.000 0.446 1050 A N -0.530 122.347 122.820 0.095 0.000 1.933 1050 A HA -0.223 4.098 4.320 0.001 0.000 0.218 1050 A C 2.571 180.167 177.584 0.020 0.000 1.175 1050 A CA 2.178 54.253 52.037 0.063 0.000 0.628 1050 A CB -0.737 18.282 19.000 0.033 0.000 0.814 1050 A HN 0.545 nan 8.150 nan 0.000 0.444 1051 S N -0.266 115.431 115.700 -0.005 0.000 2.368 1051 S HA -0.221 4.250 4.470 0.001 0.000 0.225 1051 S C 2.112 176.688 174.600 -0.038 0.000 1.030 1051 S CA 1.900 60.068 58.200 -0.053 0.000 0.999 1051 S CB -0.327 62.842 63.200 -0.052 0.000 0.844 1051 S HN 0.621 nan 8.310 nan 0.000 0.459 1052 K N 0.670 121.066 120.400 -0.007 0.000 2.002 1052 K HA -0.013 4.308 4.320 0.001 0.000 0.209 1052 K C 2.297 178.934 176.600 0.062 0.000 1.048 1052 K CA 1.260 57.530 56.287 -0.028 0.000 0.930 1052 K CB -0.707 31.694 32.500 -0.165 0.000 0.714 1052 K HN 0.408 nan 8.250 nan 0.000 0.438 1053 A N 1.273 124.196 122.820 0.172 0.000 1.883 1053 A HA -0.134 4.187 4.320 0.001 0.000 0.217 1053 A C 2.080 179.703 177.584 0.065 0.000 1.186 1053 A CA 1.511 53.659 52.037 0.186 0.000 0.624 1053 A CB -0.623 18.482 19.000 0.174 0.000 0.822 1053 A HN 0.371 nan 8.150 nan 0.000 0.444 1054 L N -1.712 119.517 121.223 0.011 0.000 2.492 1054 L HA 0.026 4.367 4.340 0.001 0.000 0.223 1054 L C 0.305 177.146 176.870 -0.048 0.000 1.132 1054 L CA 0.411 55.231 54.840 -0.032 0.000 0.850 1054 L CB -0.223 41.734 42.059 -0.170 0.000 0.966 1054 L HN 0.348 nan 8.230 nan 0.000 0.454 1055 K N 1.412 121.791 120.400 -0.036 0.000 3.148 1055 K HA -0.185 4.135 4.320 0.001 0.000 0.267 1055 K C -0.333 176.204 176.600 -0.104 0.000 0.996 1055 K CA 0.593 56.864 56.287 -0.025 0.000 0.737 1055 K CB -1.740 30.795 32.500 0.058 0.000 1.308 1055 K HN 0.523 nan 8.250 nan 0.000 0.470 1056 I N -3.962 116.473 120.570 -0.226 0.000 2.892 1056 I HA 0.643 4.814 4.170 0.001 0.000 0.306 1056 I C -2.585 173.417 176.117 -0.192 0.000 1.078 1056 I CA -3.182 57.933 61.300 -0.308 0.000 1.032 1056 I CB 2.229 39.801 38.000 -0.714 0.000 1.229 1056 I HN -0.263 nan 8.210 nan 0.000 0.435 1057 P HA 0.132 nan 4.420 nan 0.000 0.269 1057 P C 1.073 178.325 177.300 -0.080 0.000 1.215 1057 P CA -0.142 62.906 63.100 -0.086 0.000 0.780 1057 P CB 0.552 32.218 31.700 -0.058 0.000 0.898 1058 I N -0.038 120.506 120.570 -0.043 0.000 2.423 1058 I HA -0.232 3.938 4.170 0.001 0.000 0.254 1058 I C 1.660 177.780 176.117 0.005 0.000 1.151 1058 I CA 1.893 63.181 61.300 -0.019 0.000 1.421 1058 I CB -1.180 36.819 38.000 -0.001 0.000 1.079 1058 I HN 0.236 nan 8.210 nan 0.000 0.431 1059 S N 1.096 116.798 115.700 0.004 0.000 2.469 1059 S HA -0.118 4.353 4.470 0.001 0.000 0.238 1059 S C 1.745 176.361 174.600 0.027 0.000 0.998 1059 S CA 0.896 59.111 58.200 0.024 0.000 0.957 1059 S CB -0.534 62.675 63.200 0.014 0.000 0.764 1059 S HN 0.589 nan 8.310 nan 0.000 0.514 1060 K N 0.308 120.705 120.400 -0.004 0.000 2.404 1060 K HA 0.390 4.711 4.320 0.001 0.000 0.194 1060 K C -0.221 176.413 176.600 0.057 0.000 1.023 1060 K CA 0.130 56.424 56.287 0.011 0.000 1.094 1060 K CB 0.111 32.571 32.500 -0.066 0.000 0.841 1060 K HN 0.463 nan 8.250 nan 0.000 0.523 1061 I N -0.017 120.592 120.570 0.066 0.000 2.569 1061 I HA 0.298 4.468 4.170 0.001 0.000 0.296 1061 I C -1.158 175.069 176.117 0.183 0.000 1.028 1061 I CA -1.311 60.048 61.300 0.098 0.000 1.082 1061 I CB 1.545 39.564 38.000 0.031 0.000 1.264 1061 I HN -0.144 nan 8.210 nan 0.000 0.429 1062 Y N 5.748 126.063 120.300 0.025 0.000 2.513 1062 Y HA 0.646 5.196 4.550 0.001 0.000 0.340 1062 Y C -1.491 174.399 175.900 -0.018 0.000 1.055 1062 Y CA -0.861 57.244 58.100 0.009 0.000 1.020 1062 Y CB 1.706 40.181 38.460 0.025 0.000 1.301 1062 Y HN 0.336 nan 8.280 nan 0.000 0.453 1063 I N 4.443 124.580 120.570 -0.721 0.000 2.418 1063 I HA 0.251 4.422 4.170 0.001 0.000 0.287 1063 I C 0.361 175.945 176.117 -0.889 0.000 1.008 1063 I CA -0.349 60.578 61.300 -0.622 0.000 1.104 1063 I CB 2.133 39.761 38.000 -0.619 0.000 1.264 1063 I HN 0.713 nan 8.210 nan 0.000 0.438 1064 S N 5.155 120.584 115.700 -0.450 0.000 2.387 1064 S HA 0.120 4.591 4.470 0.001 0.000 0.221 1064 S C 0.400 174.882 174.600 -0.196 0.000 1.041 1064 S CA 0.861 58.947 58.200 -0.189 0.000 0.959 1064 S CB 0.256 63.521 63.200 0.109 0.000 0.843 1064 S HN 0.836 nan 8.310 nan 0.000 0.488 1065 E N -1.463 118.602 120.200 -0.226 0.000 2.388 1065 E HA 0.311 4.661 4.350 0.001 0.000 0.269 1065 E C -1.698 174.793 176.600 -0.183 0.000 1.172 1065 E CA -0.983 55.331 56.400 -0.143 0.000 0.887 1065 E CB 0.545 30.226 29.700 -0.033 0.000 1.544 1065 E HN -0.002 nan 8.360 nan 0.000 0.451 1066 T N 1.104 115.589 114.554 -0.116 0.000 2.807 1066 T HA 0.664 5.015 4.350 0.001 0.000 0.279 1066 T C -0.952 173.685 174.700 -0.105 0.000 0.993 1066 T CA -0.484 61.522 62.100 -0.156 0.000 0.970 1066 T CB 1.208 69.981 68.868 -0.157 0.000 0.950 1066 T HN 0.589 nan 8.240 nan 0.000 0.441 1067 S N 0.195 115.835 115.700 -0.100 0.000 2.541 1067 S HA 0.415 4.886 4.470 0.001 0.000 0.271 1067 S C 0.976 175.539 174.600 -0.062 0.000 1.133 1067 S CA -0.803 57.351 58.200 -0.076 0.000 0.876 1067 S CB 1.365 64.531 63.200 -0.056 0.000 1.105 1067 S HN 0.715 nan 8.310 nan 0.000 0.470 1068 T N -1.177 113.339 114.554 -0.063 0.000 3.113 1068 T HA -0.065 4.286 4.350 0.001 0.000 0.263 1068 T C 1.024 175.708 174.700 -0.027 0.000 1.143 1068 T CA 1.161 63.235 62.100 -0.044 0.000 1.090 1068 T CB -0.771 68.065 68.868 -0.053 0.000 0.922 1068 T HN 0.731 nan 8.240 nan 0.000 0.521 1069 N N 1.297 119.982 118.700 -0.025 0.000 2.280 1069 N HA 0.012 4.753 4.740 0.001 0.000 0.192 1069 N C 1.267 176.786 175.510 0.015 0.000 1.109 1069 N CA 0.715 53.762 53.050 -0.006 0.000 0.855 1069 N CB -0.221 38.261 38.487 -0.007 0.000 0.974 1069 N HN 0.615 nan 8.380 nan 0.000 0.482 1070 T N -3.164 111.396 114.554 0.009 0.000 3.071 1070 T HA 0.275 4.625 4.350 0.001 0.000 0.239 1070 T C 0.391 175.104 174.700 0.021 0.000 0.997 1070 T CA 0.075 62.190 62.100 0.025 0.000 1.134 1070 T CB -0.188 68.686 68.868 0.010 0.000 0.928 1070 T HN -0.114 nan 8.240 nan 0.000 0.453 1071 V N 4.815 124.735 119.914 0.009 0.000 2.376 1071 V HA 0.530 4.651 4.120 0.001 0.000 0.287 1071 V C -2.532 173.585 176.094 0.038 0.000 1.015 1071 V CA -2.053 60.273 62.300 0.043 0.000 0.834 1071 V CB 1.673 33.531 31.823 0.059 0.000 1.001 1071 V HN 0.366 nan 8.190 nan 0.000 0.428 1072 P HA 0.381 nan 4.420 nan 0.000 0.281 1072 P C -0.296 177.037 177.300 0.054 0.000 1.264 1072 P CA -0.382 62.737 63.100 0.031 0.000 0.824 1072 P CB 0.670 32.381 31.700 0.019 0.000 1.092 1073 N N -1.957 116.760 118.700 0.027 0.000 2.735 1073 N HA -0.134 4.606 4.740 0.001 0.000 0.248 1073 N C -0.107 175.444 175.510 0.069 0.000 1.083 1073 N CA 1.021 54.091 53.050 0.032 0.000 0.703 1073 N CB -2.366 36.143 38.487 0.035 0.000 1.005 1073 N HN 0.630 nan 8.380 nan 0.000 0.550 1074 S N -1.741 114.000 115.700 0.068 0.000 2.576 1074 S HA 0.473 4.944 4.470 0.001 0.000 0.276 1074 S C 0.680 175.319 174.600 0.064 0.000 1.339 1074 S CA -0.637 57.631 58.200 0.113 0.000 1.039 1074 S CB 1.678 64.946 63.200 0.113 0.000 0.902 1074 S HN 0.194 nan 8.310 nan 0.000 0.516 1075 S N 3.887 119.626 115.700 0.064 0.000 2.579 1075 S HA 0.328 4.798 4.470 0.001 0.000 0.275 1075 S C -2.019 172.617 174.600 0.060 0.000 1.345 1075 S CA -0.801 57.370 58.200 -0.048 0.000 1.031 1075 S CB -0.180 62.874 63.200 -0.244 0.000 0.892 1075 S HN 0.737 nan 8.310 nan 0.000 0.529 1076 P HA 0.037 nan 4.420 nan 0.000 0.269 1076 P C -0.664 176.774 177.300 0.230 0.000 1.217 1076 P CA -0.140 63.019 63.100 0.099 0.000 0.783 1076 P CB 0.025 31.781 31.700 0.093 0.000 0.898 1077 T N 1.462 116.110 114.554 0.157 0.000 2.855 1077 T HA 0.517 4.868 4.350 0.001 0.000 0.290 1077 T C 0.215 174.989 174.700 0.124 0.000 0.941 1077 T CA 0.312 62.516 62.100 0.172 0.000 1.030 1077 T CB -0.556 68.343 68.868 0.052 0.000 0.935 1077 T HN 0.639 nan 8.240 nan 0.000 0.564 1078 A N 2.244 125.149 122.820 0.141 0.000 2.511 1078 A HA 0.824 5.144 4.320 0.001 0.000 0.293 1078 A C 0.499 177.869 177.584 -0.356 0.000 1.098 1078 A CA -0.295 51.731 52.037 -0.018 0.000 0.643 1078 A CB 0.062 19.122 19.000 0.100 0.000 1.302 1078 A HN 1.552 nan 8.150 nan 0.000 0.446 1079 A N -0.740 121.807 122.820 -0.454 0.000 2.861 1079 A HA 0.060 4.380 4.320 0.001 0.000 0.261 1079 A C 1.269 178.662 177.584 -0.318 0.000 1.351 1079 A CA 1.834 53.530 52.037 -0.568 0.000 0.904 1079 A CB -2.521 15.718 19.000 -1.268 0.000 1.076 1079 A HN 2.544 nan 8.150 nan 0.000 0.729 1080 S N -4.498 111.092 115.700 -0.184 0.000 3.146 1080 S HA -0.366 4.104 4.470 0.001 0.000 0.285 1080 S C 1.178 175.717 174.600 -0.101 0.000 1.293 1080 S CA 2.030 60.167 58.200 -0.107 0.000 1.137 1080 S CB -2.500 60.650 63.200 -0.084 0.000 1.357 1080 S HN 2.330 nan 8.310 nan 0.000 0.678 1081 V N -1.878 117.940 119.914 -0.161 0.000 3.647 1081 V HA 0.261 4.381 4.120 0.001 0.000 0.279 1081 V C 1.664 177.728 176.094 -0.050 0.000 1.314 1081 V CA 0.961 63.194 62.300 -0.113 0.000 1.125 1081 V CB 0.203 31.928 31.823 -0.165 0.000 0.907 1081 V HN 0.387 nan 8.190 nan 0.000 0.434 1082 S N 1.726 117.440 115.700 0.023 0.000 2.368 1082 S HA -0.185 4.285 4.470 0.001 0.000 0.225 1082 S C 1.986 176.674 174.600 0.147 0.000 1.030 1082 S CA 2.241 60.555 58.200 0.189 0.000 0.999 1082 S CB -0.586 62.779 63.200 0.274 0.000 0.844 1082 S HN 0.769 nan 8.310 nan 0.000 0.459 1083 T N 2.354 116.938 114.554 0.049 0.000 2.708 1083 T HA -0.119 4.232 4.350 0.001 0.000 0.266 1083 T C 1.390 176.055 174.700 -0.058 0.000 1.037 1083 T CA 1.590 63.690 62.100 -0.000 0.000 1.146 1083 T CB -0.611 68.252 68.868 -0.009 0.000 0.865 1083 T HN 0.317 nan 8.240 nan 0.000 0.435 1084 D N 1.328 121.690 120.400 -0.064 0.000 2.092 1084 D HA -0.075 4.565 4.640 0.001 0.000 0.193 1084 D C 2.172 178.309 176.300 -0.271 0.000 0.994 1084 D CA 1.182 55.107 54.000 -0.124 0.000 0.828 1084 D CB -0.417 40.369 40.800 -0.023 0.000 0.963 1084 D HN 0.576 nan 8.370 nan 0.000 0.450 1085 I N -2.575 117.840 120.570 -0.258 0.000 2.339 1085 I HA -0.114 4.057 4.170 0.001 0.000 0.245 1085 I C 1.916 177.778 176.117 -0.425 0.000 1.096 1085 I CA 0.791 61.881 61.300 -0.350 0.000 1.408 1085 I CB -0.773 37.050 38.000 -0.295 0.000 1.092 1085 I HN -0.080 nan 8.210 nan 0.000 0.423 1086 Y N 2.453 122.698 120.300 -0.092 0.000 2.293 1086 Y HA 0.002 4.553 4.550 0.001 0.000 0.291 1086 Y C 2.854 178.654 175.900 -0.165 0.000 1.137 1086 Y CA 1.234 59.266 58.100 -0.114 0.000 1.202 1086 Y CB -0.784 37.572 38.460 -0.173 0.000 0.990 1086 Y HN 0.240 nan 8.280 nan 0.000 0.537 1087 G N -0.266 108.482 108.800 -0.086 0.000 2.440 1087 G HA2 -0.228 3.733 3.960 0.001 0.000 0.218 1087 G HA3 -0.228 3.733 3.960 0.001 0.000 0.218 1087 G C 1.540 176.348 174.900 -0.153 0.000 1.154 1087 G CA 0.799 45.830 45.100 -0.114 0.000 0.767 1087 G HN 0.270 nan 8.290 nan 0.000 0.552 1088 Q N 0.475 120.090 119.800 -0.309 0.000 2.016 1088 Q HA -0.016 4.325 4.340 0.001 0.000 0.200 1088 Q C 3.068 179.035 176.000 -0.055 0.000 0.978 1088 Q CA 1.408 57.003 55.803 -0.346 0.000 0.833 1088 Q CB -0.758 27.398 28.738 -0.970 0.000 0.895 1088 Q HN 0.431 nan 8.270 nan 0.000 0.427 1089 A N 0.726 123.528 122.820 -0.030 0.000 1.908 1089 A HA -0.156 4.165 4.320 0.001 0.000 0.218 1089 A C 2.485 180.134 177.584 0.108 0.000 1.181 1089 A CA 1.765 53.854 52.037 0.086 0.000 0.627 1089 A CB -0.844 18.218 19.000 0.103 0.000 0.818 1089 A HN 0.204 nan 8.150 nan 0.000 0.445 1090 V N -1.442 118.526 119.914 0.090 0.000 2.295 1090 V HA -0.297 3.824 4.120 0.001 0.000 0.246 1090 V C 2.320 178.468 176.094 0.091 0.000 1.049 1090 V CA 2.196 64.546 62.300 0.084 0.000 1.024 1090 V CB -1.066 30.789 31.823 0.052 0.000 0.648 1090 V HN 0.706 nan 8.190 nan 0.000 0.447 1091 Y N 1.414 121.693 120.300 -0.035 0.000 2.069 1091 Y HA -0.292 4.258 4.550 0.001 0.000 0.278 1091 Y C 2.642 178.542 175.900 0.001 0.000 1.175 1091 Y CA 2.268 60.343 58.100 -0.042 0.000 1.134 1091 Y CB -0.208 38.164 38.460 -0.147 0.000 0.965 1091 Y HN 0.282 nan 8.280 nan 0.000 0.498 1092 E N 0.052 120.291 120.200 0.065 0.000 2.106 1092 E HA -0.170 4.181 4.350 0.001 0.000 0.192 1092 E C 2.426 179.014 176.600 -0.019 0.000 0.984 1092 E CA 1.070 57.477 56.400 0.013 0.000 0.806 1092 E CB -0.714 29.066 29.700 0.133 0.000 0.750 1092 E HN 0.590 nan 8.360 nan 0.000 0.458 1093 A N 0.888 123.721 122.820 0.022 0.000 1.898 1093 A HA -0.173 4.148 4.320 0.001 0.000 0.216 1093 A C 2.610 180.193 177.584 -0.002 0.000 1.181 1093 A CA 1.336 53.390 52.037 0.028 0.000 0.620 1093 A CB -0.873 18.155 19.000 0.047 0.000 0.819 1093 A HN 0.335 nan 8.150 nan 0.000 0.442 1094 C N -0.789 118.488 119.300 -0.038 0.000 2.425 1094 C HA -0.100 4.361 4.460 0.001 0.000 0.277 1094 C C 2.867 177.811 174.990 -0.077 0.000 1.280 1094 C CA 1.101 60.096 59.018 -0.040 0.000 1.744 1094 C CB -1.064 26.636 27.740 -0.066 0.000 1.989 1094 C HN 0.587 nan 8.230 nan 0.000 0.491 1095 Q N 0.495 120.178 119.800 -0.194 0.000 2.084 1095 Q HA -0.126 4.214 4.340 0.001 0.000 0.202 1095 Q C 2.270 178.238 176.000 -0.053 0.000 0.978 1095 Q CA 1.940 57.640 55.803 -0.173 0.000 0.844 1095 Q CB -1.182 27.414 28.738 -0.237 0.000 0.898 1095 Q HN 0.643 nan 8.270 nan 0.000 0.426 1096 T N 1.866 116.404 114.554 -0.027 0.000 2.708 1096 T HA -0.095 4.256 4.350 0.001 0.000 0.266 1096 T C 1.874 176.593 174.700 0.032 0.000 1.037 1096 T CA 0.875 62.982 62.100 0.010 0.000 1.146 1096 T CB -0.105 68.776 68.868 0.023 0.000 0.865 1096 T HN 0.089 nan 8.240 nan 0.000 0.435 1097 I N 1.320 121.919 120.570 0.049 0.000 2.163 1097 I HA -0.114 4.057 4.170 0.001 0.000 0.243 1097 I C 2.396 178.571 176.117 0.097 0.000 1.085 1097 I CA 1.217 62.570 61.300 0.087 0.000 1.347 1097 I CB -1.445 36.641 38.000 0.143 0.000 1.044 1097 I HN 0.273 nan 8.210 nan 0.000 0.408 1098 L N 0.193 121.472 121.223 0.094 0.000 2.042 1098 L HA -0.259 4.081 4.340 0.001 0.000 0.210 1098 L C 2.564 179.457 176.870 0.038 0.000 1.076 1098 L CA 1.541 56.435 54.840 0.090 0.000 0.749 1098 L CB -0.552 41.542 42.059 0.058 0.000 0.893 1098 L HN 0.254 nan 8.230 nan 0.000 0.432 1099 K N -0.376 120.037 120.400 0.022 0.000 2.097 1099 K HA -0.145 4.176 4.320 0.001 0.000 0.206 1099 K C 2.219 178.831 176.600 0.020 0.000 1.049 1099 K CA 1.132 57.423 56.287 0.007 0.000 0.933 1099 K CB -0.096 32.407 32.500 0.004 0.000 0.717 1099 K HN 0.279 nan 8.250 nan 0.000 0.442 1100 R N 0.588 121.118 120.500 0.050 0.000 2.115 1100 R HA -0.006 4.335 4.340 0.001 0.000 0.230 1100 R C 2.166 178.565 176.300 0.165 0.000 1.111 1100 R CA 0.879 57.032 56.100 0.089 0.000 0.976 1100 R CB -0.180 30.168 30.300 0.079 0.000 0.870 1100 R HN 0.168 nan 8.270 nan 0.000 0.445 1101 L N 0.323 121.618 121.223 0.120 0.000 2.395 1101 L HA -0.068 4.273 4.340 0.001 0.000 0.218 1101 L C 2.292 179.185 176.870 0.037 0.000 1.130 1101 L CA 0.549 55.483 54.840 0.156 0.000 0.826 1101 L CB -0.232 41.856 42.059 0.049 0.000 0.941 1101 L HN 0.120 nan 8.230 nan 0.000 0.451 1102 E N 1.226 121.391 120.200 -0.059 0.000 2.038 1102 E HA -0.189 4.162 4.350 0.001 0.000 0.195 1102 E C -0.602 175.843 176.600 -0.257 0.000 1.000 1102 E CA 1.672 57.970 56.400 -0.170 0.000 0.803 1102 E CB -1.026 28.605 29.700 -0.116 0.000 0.750 1102 E HN 0.204 nan 8.360 nan 0.000 0.448 1103 P HA -0.152 nan 4.420 nan 0.000 0.216 1103 P C 0.874 177.821 177.300 -0.588 0.000 1.150 1103 P CA 1.433 64.242 63.100 -0.486 0.000 0.843 1103 P CB -0.179 31.120 31.700 -0.669 0.000 0.787 1104 F N -0.165 119.680 119.950 -0.175 0.000 2.206 1104 F HA -0.008 4.520 4.527 0.001 0.000 0.298 1104 F C 2.496 178.084 175.800 -0.353 0.000 1.090 1104 F CA 1.057 58.965 58.000 -0.154 0.000 1.323 1104 F CB -0.787 38.177 39.000 -0.060 0.000 1.028 1104 F HN -0.182 nan 8.300 nan 0.000 0.492 1105 K N 1.070 121.104 120.400 -0.611 0.000 2.032 1105 K HA -0.205 4.116 4.320 0.001 0.000 0.209 1105 K C 2.013 178.376 176.600 -0.395 0.000 1.048 1105 K CA 1.509 57.155 56.287 -1.068 0.000 0.927 1105 K CB -0.089 31.727 32.500 -1.140 0.000 0.712 1105 K HN 0.166 nan 8.250 nan 0.000 0.441 1106 K N 0.559 120.790 120.400 -0.282 0.000 2.032 1106 K HA -0.143 4.177 4.320 0.001 0.000 0.209 1106 K C 2.118 178.668 176.600 -0.084 0.000 1.048 1106 K CA 1.598 57.791 56.287 -0.158 0.000 0.927 1106 K CB -0.025 32.379 32.500 -0.160 0.000 0.712 1106 K HN 0.118 nan 8.250 nan 0.000 0.441 1107 K N 0.248 120.598 120.400 -0.084 0.000 2.147 1107 K HA -0.126 4.195 4.320 0.001 0.000 0.205 1107 K C 0.822 177.467 176.600 0.074 0.000 1.049 1107 K CA 0.907 57.189 56.287 -0.008 0.000 0.936 1107 K CB -0.039 32.464 32.500 0.005 0.000 0.722 1107 K HN 0.026 nan 8.250 nan 0.000 0.446 1108 N N -0.437 118.347 118.700 0.141 0.000 2.687 1108 N HA 0.106 4.846 4.740 0.001 0.000 0.275 1108 N C -2.372 173.374 175.510 0.393 0.000 1.789 1108 N CA -1.683 51.524 53.050 0.262 0.000 0.806 1108 N CB 0.933 39.621 38.487 0.336 0.000 1.256 1108 N HN -0.177 nan 8.380 nan 0.000 0.500 1109 P HA -0.007 nan 4.420 nan 0.000 0.225 1109 P C -0.010 177.491 177.300 0.334 0.000 1.148 1109 P CA 1.038 64.295 63.100 0.262 0.000 0.779 1109 P CB 0.515 32.289 31.700 0.123 0.000 0.780 1110 D N -0.618 119.931 120.400 0.248 0.000 2.349 1110 D HA 0.111 4.751 4.640 0.001 0.000 0.214 1110 D C 1.402 177.777 176.300 0.125 0.000 1.063 1110 D CA 0.231 54.335 54.000 0.173 0.000 0.847 1110 D CB 0.027 40.891 40.800 0.106 0.000 0.933 1110 D HN 0.104 nan 8.370 nan 0.000 0.513 1111 G N 0.584 109.488 108.800 0.173 0.000 2.651 1111 G HA2 0.323 4.283 3.960 0.001 0.000 0.260 1111 G HA3 0.323 4.283 3.960 0.001 0.000 0.260 1111 G C 0.378 174.996 174.900 -0.471 0.000 1.216 1111 G CA -0.264 44.795 45.100 -0.068 0.000 0.913 1111 G HN 0.161 nan 8.290 nan 0.000 0.535 1112 S N -0.872 114.473 115.700 -0.591 0.000 2.693 1112 S HA 0.169 4.639 4.470 0.001 0.000 0.276 1112 S C 1.095 175.061 174.600 -1.058 0.000 1.192 1112 S CA -0.528 57.291 58.200 -0.635 0.000 0.994 1112 S CB 1.171 64.203 63.200 -0.280 0.000 1.012 1112 S HN 0.808 nan 8.310 nan 0.000 0.550 1113 W N 1.466 122.277 121.300 -0.815 0.000 2.321 1113 W HA -0.216 4.445 4.660 0.001 0.000 0.306 1113 W C 1.123 177.505 176.519 -0.228 0.000 1.217 1113 W CA 2.304 59.396 57.345 -0.423 0.000 1.257 1113 W CB -0.499 28.884 29.460 -0.128 0.000 1.145 1113 W HN 0.847 nan 8.180 nan 0.000 0.509 1114 E N 0.754 120.855 120.200 -0.165 0.000 2.077 1114 E HA -0.208 4.142 4.350 0.001 0.000 0.193 1114 E C 1.705 178.175 176.600 -0.216 0.000 0.989 1114 E CA 1.966 58.267 56.400 -0.165 0.000 0.800 1114 E CB -0.691 28.985 29.700 -0.039 0.000 0.746 1114 E HN 0.180 nan 8.360 nan 0.000 0.452 1115 D N -0.511 119.732 120.400 -0.262 0.000 2.117 1115 D HA -0.161 4.480 4.640 0.001 0.000 0.197 1115 D C 1.609 177.869 176.300 -0.067 0.000 0.987 1115 D CA 0.841 54.736 54.000 -0.174 0.000 0.829 1115 D CB -0.219 40.459 40.800 -0.203 0.000 0.961 1115 D HN 0.299 nan 8.370 nan 0.000 0.460 1116 W N 1.040 122.264 121.300 -0.127 0.000 2.388 1116 W HA -0.032 4.629 4.660 0.001 0.000 0.294 1116 W C 2.344 178.663 176.519 -0.333 0.000 1.212 1116 W CA 0.042 57.298 57.345 -0.148 0.000 1.271 1116 W CB -1.266 28.130 29.460 -0.108 0.000 1.126 1116 W HN -0.135 nan 8.180 nan 0.000 0.535 1117 V N 0.732 120.503 119.914 -0.239 0.000 2.295 1117 V HA -0.328 3.793 4.120 0.001 0.000 0.246 1117 V C 2.292 178.261 176.094 -0.208 0.000 1.049 1117 V CA 2.172 64.265 62.300 -0.344 0.000 1.024 1117 V CB -0.910 30.614 31.823 -0.498 0.000 0.648 1117 V HN 0.031 nan 8.190 nan 0.000 0.447 1118 M N 0.899 120.412 119.600 -0.145 0.000 2.117 1118 M HA -0.075 4.405 4.480 0.001 0.000 0.262 1118 M C 2.006 178.263 176.300 -0.071 0.000 1.065 1118 M CA 2.197 57.464 55.300 -0.055 0.000 1.114 1118 M CB -0.767 31.811 32.600 -0.037 0.000 1.361 1118 M HN 0.255 nan 8.290 nan 0.000 0.408 1119 A N -0.503 122.229 122.820 -0.146 0.000 1.930 1119 A HA 0.139 4.459 4.320 0.001 0.000 0.217 1119 A C 2.348 179.539 177.584 -0.655 0.000 1.175 1119 A CA 1.741 53.646 52.037 -0.220 0.000 0.627 1119 A CB -1.314 17.677 19.000 -0.016 0.000 0.815 1119 A HN 0.620 nan 8.150 nan 0.000 0.443 1120 A N -1.230 121.009 122.820 -0.969 0.000 1.902 1120 A HA -0.102 4.219 4.320 0.001 0.000 0.217 1120 A C 2.131 179.444 177.584 -0.451 0.000 1.181 1120 A CA 1.670 53.005 52.037 -1.170 0.000 0.623 1120 A CB -0.812 17.726 19.000 -0.770 0.000 0.818 1120 A HN 0.758 nan 8.150 nan 0.000 0.443 1121 Y N 0.718 120.815 120.300 -0.338 0.000 2.114 1121 Y HA -0.227 4.324 4.550 0.001 0.000 0.284 1121 Y C 2.491 178.311 175.900 -0.134 0.000 1.143 1121 Y CA 2.245 60.236 58.100 -0.182 0.000 1.135 1121 Y CB -0.362 38.018 38.460 -0.133 0.000 0.980 1121 Y HN 0.378 nan 8.280 nan 0.000 0.499 1122 Q N -0.495 119.134 119.800 -0.284 0.000 2.226 1122 Q HA -0.207 4.133 4.340 0.001 0.000 0.204 1122 Q C 1.150 177.010 176.000 -0.234 0.000 0.975 1122 Q CA 1.695 57.334 55.803 -0.274 0.000 0.866 1122 Q CB -0.336 28.354 28.738 -0.080 0.000 0.915 1122 Q HN 0.525 nan 8.270 nan 0.000 0.440 1123 D N 0.136 120.418 120.400 -0.198 0.000 2.328 1123 D HA 0.026 4.667 4.640 0.001 0.000 0.226 1123 D C -0.387 175.858 176.300 -0.092 0.000 1.066 1123 D CA -0.057 53.901 54.000 -0.069 0.000 0.861 1123 D CB 0.094 40.971 40.800 0.129 0.000 0.912 1123 D HN 0.072 nan 8.370 nan 0.000 0.521 1124 R N -0.879 119.491 120.500 -0.217 0.000 3.336 1124 R HA -0.135 4.206 4.340 0.001 0.000 0.260 1124 R C -0.921 175.333 176.300 -0.076 0.000 1.032 1124 R CA 0.012 56.006 56.100 -0.177 0.000 0.693 1124 R CB -2.257 27.963 30.300 -0.133 0.000 1.134 1124 R HN 0.020 nan 8.270 nan 0.000 0.433 1125 V N 0.869 120.740 119.914 -0.071 0.000 2.394 1125 V HA 0.194 4.315 4.120 0.001 0.000 0.282 1125 V C 0.903 176.992 176.094 -0.007 0.000 1.031 1125 V CA -0.359 61.940 62.300 -0.002 0.000 0.881 1125 V CB 1.864 33.722 31.823 0.059 0.000 0.982 1125 V HN 0.388 nan 8.190 nan 0.000 0.451 1126 S N 4.787 120.496 115.700 0.015 0.000 2.544 1126 S HA 0.203 4.673 4.470 0.001 0.000 0.290 1126 S C 0.312 174.927 174.600 0.025 0.000 1.276 1126 S CA -0.181 58.034 58.200 0.024 0.000 1.075 1126 S CB -0.052 63.165 63.200 0.028 0.000 0.849 1126 S HN 0.569 nan 8.310 nan 0.000 0.494 1127 L N 4.535 125.772 121.223 0.023 0.000 2.984 1127 L HA 0.359 4.699 4.340 0.001 0.000 0.246 1127 L C 0.418 177.308 176.870 0.033 0.000 1.268 1127 L CA -0.199 54.649 54.840 0.012 0.000 1.054 1127 L CB 0.369 42.416 42.059 -0.020 0.000 1.393 1127 L HN 0.525 nan 8.230 nan 0.000 0.532 1128 S N -0.655 115.084 115.700 0.064 0.000 2.538 1128 S HA 0.748 5.219 4.470 0.001 0.000 0.288 1128 S C -0.652 174.005 174.600 0.096 0.000 1.108 1128 S CA -0.296 57.987 58.200 0.140 0.000 0.971 1128 S CB 1.995 65.309 63.200 0.190 0.000 1.041 1128 S HN 0.110 nan 8.310 nan 0.000 0.483 1129 T N 1.837 116.438 114.554 0.079 0.000 2.840 1129 T HA 0.622 4.973 4.350 0.001 0.000 0.317 1129 T C -0.492 174.235 174.700 0.045 0.000 1.401 1129 T CA -0.300 61.835 62.100 0.058 0.000 1.028 1129 T CB 1.394 70.292 68.868 0.050 0.000 1.317 1129 T HN 0.870 nan 8.240 nan 0.000 0.495 1130 T N 0.358 114.946 114.554 0.057 0.000 2.847 1130 T HA 0.782 5.133 4.350 0.001 0.000 0.279 1130 T C 0.457 175.216 174.700 0.099 0.000 0.984 1130 T CA -0.342 61.804 62.100 0.076 0.000 0.988 1130 T CB 1.211 70.128 68.868 0.081 0.000 1.040 1130 T HN 0.950 nan 8.240 nan 0.000 0.528 1131 G N -0.223 108.665 108.800 0.147 0.000 2.659 1131 G HA2 0.640 4.600 3.960 0.001 0.000 0.296 1131 G HA3 0.640 4.600 3.960 0.001 0.000 0.296 1131 G C -2.125 172.953 174.900 0.297 0.000 1.369 1131 G CA -0.827 44.379 45.100 0.178 0.000 0.937 1131 G HN 0.726 nan 8.290 nan 0.000 0.485 1132 F N 0.592 120.604 119.950 0.103 0.000 2.631 1132 F HA 0.752 5.279 4.527 0.001 0.000 0.308 1132 F C -1.943 173.958 175.800 0.168 0.000 1.097 1132 F CA -1.093 56.974 58.000 0.112 0.000 0.952 1132 F CB 2.424 41.464 39.000 0.067 0.000 1.307 1132 F HN 0.580 nan 8.300 nan 0.000 0.450 1133 Y N 4.419 124.374 120.300 -0.575 0.000 2.479 1133 Y HA 0.598 5.149 4.550 0.001 0.000 0.338 1133 Y C -1.539 174.038 175.900 -0.538 0.000 1.055 1133 Y CA -0.954 56.923 58.100 -0.372 0.000 1.023 1133 Y CB 1.427 39.724 38.460 -0.273 0.000 1.287 1133 Y HN 0.696 nan 8.280 nan 0.000 0.447 1134 R N 3.007 122.941 120.500 -0.944 0.000 2.532 1134 R HA 0.575 4.916 4.340 0.001 0.000 0.297 1134 R C -1.440 174.244 176.300 -1.026 0.000 0.984 1134 R CA -0.791 54.871 56.100 -0.731 0.000 0.884 1134 R CB 1.407 31.554 30.300 -0.255 0.000 1.182 1134 R HN 0.590 nan 8.270 nan 0.000 0.442 1135 T N 5.964 120.081 114.554 -0.728 0.000 2.867 1135 T HA 0.146 4.497 4.350 0.001 0.000 0.297 1135 T C -1.810 172.669 174.700 -0.368 0.000 0.989 1135 T CA -0.483 61.280 62.100 -0.563 0.000 1.159 1135 T CB 0.478 69.154 68.868 -0.320 0.000 0.928 1135 T HN 0.518 nan 8.240 nan 0.000 0.538 1136 P HA 0.261 nan 4.420 nan 0.000 0.279 1136 P C -0.150 177.143 177.300 -0.012 0.000 1.252 1136 P CA -0.575 62.462 63.100 -0.105 0.000 0.811 1136 P CB 0.477 32.164 31.700 -0.022 0.000 1.035 1137 N N -0.837 117.864 118.700 0.003 0.000 2.758 1137 N HA -0.137 4.603 4.740 0.001 0.000 0.248 1137 N C -0.783 174.744 175.510 0.029 0.000 1.076 1137 N CA 0.811 53.880 53.050 0.032 0.000 0.696 1137 N CB -1.753 36.775 38.487 0.069 0.000 0.979 1137 N HN 0.458 nan 8.380 nan 0.000 0.550 1138 L N -0.471 120.748 121.223 -0.006 0.000 2.346 1138 L HA 0.775 5.116 4.340 0.001 0.000 0.274 1138 L C 0.869 177.723 176.870 -0.026 0.000 1.007 1138 L CA -0.613 54.210 54.840 -0.029 0.000 0.818 1138 L CB 2.137 44.159 42.059 -0.061 0.000 1.284 1138 L HN 0.223 nan 8.230 nan 0.000 0.424 1139 G N 1.661 110.445 108.800 -0.026 0.000 2.936 1139 G HA2 -0.005 3.956 3.960 0.001 0.000 0.227 1139 G HA3 -0.005 3.956 3.960 0.001 0.000 0.227 1139 G C -1.631 173.283 174.900 0.023 0.000 3.708 1139 G CA -0.689 44.411 45.100 0.001 0.000 0.519 1139 G HN 0.381 nan 8.290 nan 0.000 0.369 1140 Y N 2.030 122.266 120.300 -0.105 0.000 2.301 1140 Y HA 0.734 5.285 4.550 0.001 0.000 0.325 1140 Y C 0.346 176.238 175.900 -0.013 0.000 1.203 1140 Y CA -0.222 57.815 58.100 -0.104 0.000 1.255 1140 Y CB 1.956 40.282 38.460 -0.224 0.000 1.232 1140 Y HN 0.507 nan 8.280 nan 0.000 0.501 1141 S N 5.161 120.357 115.700 -0.841 0.000 2.519 1141 S HA 0.346 4.817 4.470 0.001 0.000 0.309 1141 S C 0.139 174.199 174.600 -0.899 0.000 1.100 1141 S CA -0.660 57.217 58.200 -0.539 0.000 1.059 1141 S CB 0.222 63.248 63.200 -0.290 0.000 1.008 1141 S HN 0.701 nan 8.310 nan 0.000 0.478 1142 F N 2.827 122.585 119.950 -0.320 0.000 2.259 1142 F HA 0.073 4.600 4.527 0.001 0.000 0.298 1142 F C 2.219 177.962 175.800 -0.095 0.000 1.088 1142 F CA 1.144 59.086 58.000 -0.097 0.000 1.358 1142 F CB -0.097 38.948 39.000 0.076 0.000 1.040 1142 F HN 0.664 nan 8.300 nan 0.000 0.505 1143 E N -0.632 119.607 120.200 0.065 0.000 2.077 1143 E HA -0.194 4.156 4.350 0.001 0.000 0.193 1143 E C 2.072 178.655 176.600 -0.028 0.000 0.989 1143 E CA 1.918 58.334 56.400 0.027 0.000 0.800 1143 E CB -0.283 29.429 29.700 0.020 0.000 0.746 1143 E HN 0.398 nan 8.360 nan 0.000 0.452 1144 T N -2.468 112.024 114.554 -0.105 0.000 3.060 1144 T HA 0.030 4.381 4.350 0.001 0.000 0.249 1144 T C 0.589 175.221 174.700 -0.114 0.000 1.079 1144 T CA 0.066 62.109 62.100 -0.095 0.000 1.013 1144 T CB -0.194 68.614 68.868 -0.100 0.000 0.975 1144 T HN 0.223 nan 8.240 nan 0.000 0.518 1145 N N 1.306 119.882 118.700 -0.208 0.000 2.705 1145 N HA -0.215 4.526 4.740 0.001 0.000 0.255 1145 N C -0.555 174.937 175.510 -0.030 0.000 1.008 1145 N CA 0.441 53.429 53.050 -0.103 0.000 0.742 1145 N CB -0.974 37.556 38.487 0.071 0.000 0.906 1145 N HN 0.841 nan 8.380 nan 0.000 0.541 1146 S N -0.998 114.576 115.700 -0.210 0.000 2.643 1146 S HA 0.844 5.315 4.470 0.001 0.000 0.270 1146 S C -0.029 174.547 174.600 -0.041 0.000 1.166 1146 S CA -0.132 58.052 58.200 -0.027 0.000 0.815 1146 S CB 1.897 65.073 63.200 -0.040 0.000 1.139 1146 S HN 1.105 nan 8.310 nan 0.000 0.472 1147 G N 1.057 109.887 108.800 0.050 0.000 2.785 1147 G HA2 -0.037 3.924 3.960 0.001 0.000 0.686 1147 G HA3 -0.037 3.924 3.960 0.001 0.000 0.686 1147 G C -1.280 173.699 174.900 0.132 0.000 1.155 1147 G CA -1.002 44.129 45.100 0.051 0.000 0.760 1147 G HN 0.858 nan 8.290 nan 0.000 0.624 1148 N N 0.681 119.414 118.700 0.055 0.000 2.431 1148 N HA 0.412 5.153 4.740 0.001 0.000 0.265 1148 N C 1.377 176.796 175.510 -0.153 0.000 1.184 1148 N CA 0.570 53.624 53.050 0.008 0.000 0.943 1148 N CB 1.515 40.009 38.487 0.012 0.000 1.080 1148 N HN 1.010 nan 8.380 nan 0.000 0.477 1149 A N 3.121 125.688 122.820 -0.420 0.000 1.970 1149 A HA 0.099 4.420 4.320 0.001 0.000 0.216 1149 A C 0.185 177.019 177.584 -1.250 0.000 1.170 1149 A CA 0.982 52.335 52.037 -1.140 0.000 0.645 1149 A CB -0.001 17.543 19.000 -2.426 0.000 0.816 1149 A HN 0.574 nan 8.150 nan 0.000 0.447 1150 F N -4.159 115.550 119.950 -0.400 0.000 2.611 1150 F HA 0.497 5.024 4.527 0.001 0.000 0.324 1150 F C 1.001 176.630 175.800 -0.286 0.000 1.061 1150 F CA -0.728 56.988 58.000 -0.473 0.000 0.954 1150 F CB 1.070 39.549 39.000 -0.868 0.000 1.301 1150 F HN 0.082 nan 8.300 nan 0.000 0.482 1151 H N 0.111 119.072 119.070 -0.181 0.000 2.415 1151 H HA 0.113 4.670 4.556 0.001 0.000 0.297 1151 H C -0.894 174.467 175.328 0.055 0.000 1.048 1151 H CA 1.451 57.470 56.048 -0.048 0.000 1.365 1151 H CB 0.246 30.022 29.762 0.023 0.000 1.421 1151 H HN 0.524 nan 8.280 nan 0.000 0.533 1152 Y N -4.296 115.890 120.300 -0.190 0.000 2.895 1152 Y HA 0.426 4.977 4.550 0.001 0.000 0.339 1152 Y C -1.902 173.725 175.900 -0.454 0.000 1.363 1152 Y CA -2.029 55.953 58.100 -0.197 0.000 1.085 1152 Y CB 0.538 38.940 38.460 -0.096 0.000 1.500 1152 Y HN -0.206 nan 8.280 nan 0.000 0.442 1153 F N 0.269 120.203 119.950 -0.028 0.000 2.551 1153 F HA 0.705 5.232 4.527 0.001 0.000 0.316 1153 F C -0.025 175.495 175.800 -0.467 0.000 1.089 1153 F CA -0.881 56.892 58.000 -0.378 0.000 0.915 1153 F CB 2.549 41.259 39.000 -0.483 0.000 1.186 1153 F HN 0.502 nan 8.300 nan 0.000 0.456 1154 T N 1.784 116.211 114.554 -0.211 0.000 2.907 1154 T HA 0.553 4.904 4.350 0.001 0.000 0.284 1154 T C -1.201 173.325 174.700 -0.290 0.000 1.004 1154 T CA -0.350 61.661 62.100 -0.149 0.000 1.063 1154 T CB 0.593 69.492 68.868 0.053 0.000 0.992 1154 T HN 0.346 nan 8.240 nan 0.000 0.483 1155 Y N -0.239 120.152 120.300 0.152 0.000 2.576 1155 Y HA 0.719 5.270 4.550 0.001 0.000 0.346 1155 Y C 0.608 176.556 175.900 0.079 0.000 1.018 1155 Y CA -0.899 57.251 58.100 0.083 0.000 1.050 1155 Y CB 2.702 41.137 38.460 -0.043 0.000 1.280 1155 Y HN 0.938 nan 8.280 nan 0.000 0.474 1156 G N -0.055 108.905 108.800 0.265 0.000 2.451 1156 G HA2 0.542 4.503 3.960 0.001 0.000 0.292 1156 G HA3 0.542 4.503 3.960 0.001 0.000 0.292 1156 G C -2.467 172.555 174.900 0.204 0.000 1.427 1156 G CA -0.691 44.526 45.100 0.195 0.000 0.792 1156 G HN 0.484 nan 8.290 nan 0.000 0.498 1157 V N -0.374 119.645 119.914 0.174 0.000 2.841 1157 V HA 0.879 4.999 4.120 0.001 0.000 0.310 1157 V C -0.040 176.128 176.094 0.123 0.000 1.090 1157 V CA -0.243 62.172 62.300 0.192 0.000 0.930 1157 V CB 1.711 33.664 31.823 0.217 0.000 1.014 1157 V HN 1.774 nan 8.190 nan 0.000 0.425 1158 A N 2.389 125.285 122.820 0.126 0.000 2.393 1158 A HA 0.747 5.068 4.320 0.001 0.000 0.306 1158 A C -0.877 176.740 177.584 0.055 0.000 1.050 1158 A CA -0.443 51.647 52.037 0.088 0.000 0.724 1158 A CB 1.597 20.702 19.000 0.175 0.000 1.248 1158 A HN 1.053 nan 8.150 nan 0.000 0.424 1159 C N 2.130 121.438 119.300 0.014 0.000 2.322 1159 C HA 0.846 5.306 4.460 0.001 0.000 0.324 1159 C C 0.057 175.082 174.990 0.058 0.000 1.284 1159 C CA -0.027 59.005 59.018 0.022 0.000 1.606 1159 C CB -0.018 27.716 27.740 -0.011 0.000 2.251 1159 C HN 0.831 nan 8.230 nan 0.000 0.502 1160 S N 3.612 119.366 115.700 0.091 0.000 2.548 1160 S HA 0.584 5.054 4.470 0.001 0.000 0.286 1160 S C -1.245 173.391 174.600 0.060 0.000 1.098 1160 S CA -0.467 57.786 58.200 0.089 0.000 0.930 1160 S CB 1.697 64.989 63.200 0.153 0.000 1.070 1160 S HN 0.885 nan 8.310 nan 0.000 0.480 1161 E N 1.584 121.801 120.200 0.028 0.000 2.238 1161 E HA 0.686 5.037 4.350 0.001 0.000 0.267 1161 E C -1.231 175.367 176.600 -0.004 0.000 0.887 1161 E CA -0.826 55.569 56.400 -0.008 0.000 0.769 1161 E CB 1.487 31.156 29.700 -0.052 0.000 1.187 1161 E HN 0.499 nan 8.360 nan 0.000 0.416 1162 V N 0.301 120.206 119.914 -0.014 0.000 3.102 1162 V HA 0.668 4.789 4.120 0.001 0.000 0.312 1162 V C -0.913 175.156 176.094 -0.042 0.000 1.135 1162 V CA -0.856 61.458 62.300 0.022 0.000 1.022 1162 V CB 1.827 33.690 31.823 0.067 0.000 1.056 1162 V HN 0.826 nan 8.190 nan 0.000 0.436 1163 E N 1.883 122.074 120.200 -0.015 0.000 2.224 1163 E HA 0.654 5.005 4.350 0.001 0.000 0.265 1163 E C -1.121 175.529 176.600 0.083 0.000 0.878 1163 E CA -0.925 55.444 56.400 -0.052 0.000 0.759 1163 E CB 2.108 31.704 29.700 -0.174 0.000 1.164 1163 E HN 0.927 nan 8.360 nan 0.000 0.414 1164 I N 0.540 121.170 120.570 0.100 0.000 2.607 1164 I HA 0.532 4.703 4.170 0.001 0.000 0.305 1164 I C -0.410 175.806 176.117 0.166 0.000 0.995 1164 I CA -0.888 60.498 61.300 0.143 0.000 1.148 1164 I CB 1.758 39.810 38.000 0.088 0.000 1.323 1164 I HN 0.335 nan 8.210 nan 0.000 0.461 1165 D N 4.550 125.054 120.400 0.175 0.000 2.396 1165 D HA 0.264 4.904 4.640 0.001 0.000 0.225 1165 D C 0.517 176.929 176.300 0.186 0.000 1.121 1165 D CA -0.458 53.656 54.000 0.190 0.000 0.853 1165 D CB 1.424 42.332 40.800 0.180 0.000 1.043 1165 D HN 0.745 nan 8.370 nan 0.000 0.500 1166 C N 3.381 122.816 119.300 0.226 0.000 2.437 1166 C HA 0.014 4.474 4.460 0.001 0.000 0.283 1166 C C 2.497 177.638 174.990 0.252 0.000 1.424 1166 C CA -0.008 59.152 59.018 0.237 0.000 1.782 1166 C CB -0.865 27.061 27.740 0.309 0.000 1.833 1166 C HN 0.659 nan 8.230 nan 0.000 0.532 1167 L N 0.739 122.097 121.223 0.225 0.000 2.416 1167 L HA 0.007 4.348 4.340 0.001 0.000 0.216 1167 L C 2.557 179.451 176.870 0.040 0.000 1.098 1167 L CA 1.626 56.527 54.840 0.102 0.000 0.840 1167 L CB -0.259 41.800 42.059 0.000 0.000 0.981 1167 L HN 0.537 nan 8.230 nan 0.000 0.462 1168 T N -6.184 108.436 114.554 0.109 0.000 2.964 1168 T HA 0.288 4.639 4.350 0.001 0.000 0.250 1168 T C 1.428 176.276 174.700 0.246 0.000 0.982 1168 T CA 0.617 62.799 62.100 0.137 0.000 0.959 1168 T CB 1.134 70.112 68.868 0.183 0.000 1.141 1168 T HN 0.256 nan 8.240 nan 0.000 0.494 1169 G N 1.456 110.363 108.800 0.179 0.000 2.213 1169 G HA2 -0.209 3.751 3.960 0.001 0.000 0.236 1169 G HA3 -0.209 3.751 3.960 0.001 0.000 0.236 1169 G C -0.164 174.812 174.900 0.128 0.000 0.991 1169 G CA 0.115 45.287 45.100 0.121 0.000 0.629 1169 G HN 0.820 nan 8.290 nan 0.000 0.517 1170 D N 1.377 121.866 120.400 0.147 0.000 2.368 1170 D HA 0.490 5.131 4.640 0.001 0.000 0.240 1170 D C 0.615 177.022 176.300 0.179 0.000 1.169 1170 D CA 0.683 54.751 54.000 0.114 0.000 0.906 1170 D CB 0.249 41.081 40.800 0.053 0.000 1.187 1170 D HN 0.638 nan 8.370 nan 0.000 0.435 1171 H N -0.697 118.392 119.070 0.033 0.000 3.037 1171 H HA 0.453 5.010 4.556 0.001 0.000 0.355 1171 H C -1.277 174.094 175.328 0.072 0.000 1.263 1171 H CA -0.975 55.100 56.048 0.045 0.000 1.129 1171 H CB 0.610 30.374 29.762 0.003 0.000 1.861 1171 H HN 0.274 nan 8.280 nan 0.000 0.546 1172 K N 1.460 121.851 120.400 -0.015 0.000 2.164 1172 K HA 0.291 4.612 4.320 0.001 0.000 0.258 1172 K C -0.528 176.088 176.600 0.027 0.000 0.951 1172 K CA -1.041 55.221 56.287 -0.042 0.000 0.844 1172 K CB 1.241 33.755 32.500 0.024 0.000 1.099 1172 K HN 0.431 nan 8.250 nan 0.000 0.435 1173 N N 3.531 122.228 118.700 -0.004 0.000 2.521 1173 N HA 0.111 4.852 4.740 0.001 0.000 0.236 1173 N C 0.575 176.098 175.510 0.021 0.000 1.067 1173 N CA 0.062 53.146 53.050 0.057 0.000 0.939 1173 N CB 0.571 39.085 38.487 0.044 0.000 1.201 1173 N HN 0.463 nan 8.380 nan 0.000 0.511 1174 L N 0.884 122.109 121.223 0.003 0.000 2.068 1174 L HA 0.117 4.458 4.340 0.001 0.000 0.204 1174 L C 1.022 177.891 176.870 -0.002 0.000 1.076 1174 L CA 0.830 55.654 54.840 -0.027 0.000 0.753 1174 L CB 0.113 42.117 42.059 -0.092 0.000 0.910 1174 L HN 0.374 nan 8.230 nan 0.000 0.439 1175 R N -1.062 119.437 120.500 -0.002 0.000 2.579 1175 R HA 0.364 4.704 4.340 0.001 0.000 0.260 1175 R C -1.692 174.613 176.300 0.007 0.000 1.103 1175 R CA -0.287 55.820 56.100 0.011 0.000 0.942 1175 R CB 1.978 32.284 30.300 0.010 0.000 1.251 1175 R HN -0.223 nan 8.270 nan 0.000 0.450 1176 T N 2.556 117.113 114.554 0.004 0.000 2.916 1176 T HA 0.370 4.721 4.350 0.001 0.000 0.298 1176 T C -1.729 172.989 174.700 0.029 0.000 1.031 1176 T CA -0.611 61.477 62.100 -0.021 0.000 0.993 1176 T CB 1.668 70.412 68.868 -0.207 0.000 1.045 1176 T HN 0.542 nan 8.240 nan 0.000 0.454 1177 D N 1.844 122.244 120.400 -0.000 0.000 2.629 1177 D HA 0.621 5.261 4.640 0.001 0.000 0.250 1177 D C -0.655 175.628 176.300 -0.027 0.000 1.126 1177 D CA -0.312 53.687 54.000 -0.002 0.000 0.852 1177 D CB 1.513 42.307 40.800 -0.009 0.000 1.335 1177 D HN 0.349 nan 8.370 nan 0.000 0.518 1178 I N 1.709 122.259 120.570 -0.033 0.000 2.509 1178 I HA 0.493 4.664 4.170 0.001 0.000 0.293 1178 I C -0.867 175.248 176.117 -0.003 0.000 1.020 1178 I CA -1.123 60.165 61.300 -0.021 0.000 1.088 1178 I CB 2.148 40.119 38.000 -0.049 0.000 1.267 1178 I HN 0.014 nan 8.210 nan 0.000 0.430 1179 V N 6.147 126.076 119.914 0.025 0.000 2.483 1179 V HA 0.479 4.599 4.120 0.001 0.000 0.297 1179 V C -0.483 175.650 176.094 0.064 0.000 1.027 1179 V CA -0.451 61.870 62.300 0.034 0.000 0.855 1179 V CB 1.757 33.598 31.823 0.029 0.000 0.995 1179 V HN 0.648 nan 8.190 nan 0.000 0.424 1180 M N 4.133 123.770 119.600 0.062 0.000 2.321 1180 M HA 0.530 5.010 4.480 0.001 0.000 0.315 1180 M C -0.956 175.397 176.300 0.088 0.000 1.052 1180 M CA -0.440 54.910 55.300 0.084 0.000 0.936 1180 M CB 1.712 34.352 32.600 0.067 0.000 1.639 1180 M HN 0.667 nan 8.290 nan 0.000 0.433 1181 D N 3.689 124.163 120.400 0.124 0.000 2.380 1181 D HA 0.323 4.964 4.640 0.001 0.000 0.230 1181 D C -0.065 176.304 176.300 0.115 0.000 1.154 1181 D CA -0.272 53.805 54.000 0.128 0.000 0.859 1181 D CB 0.740 41.661 40.800 0.201 0.000 1.045 1181 D HN 0.431 nan 8.370 nan 0.000 0.495 1182 V N 2.284 122.245 119.914 0.077 0.000 2.982 1182 V HA 0.611 4.731 4.120 0.001 0.000 0.368 1182 V C 1.176 177.292 176.094 0.036 0.000 1.350 1182 V CA 0.171 62.507 62.300 0.060 0.000 1.251 1182 V CB -0.340 31.507 31.823 0.039 0.000 1.284 1182 V HN 0.672 nan 8.190 nan 0.000 0.533 1183 G N 1.653 110.473 108.800 0.033 0.000 2.594 1183 G HA2 -0.278 3.683 3.960 0.001 0.000 0.297 1183 G HA3 -0.278 3.683 3.960 0.001 0.000 0.297 1183 G C 0.166 175.074 174.900 0.012 0.000 1.273 1183 G CA 0.187 45.288 45.100 0.003 0.000 0.974 1183 G HN 1.045 nan 8.290 nan 0.000 0.552 1184 S N 0.495 116.196 115.700 0.003 0.000 2.494 1184 S HA 0.481 4.951 4.470 0.001 0.000 0.312 1184 S C 0.625 175.234 174.600 0.016 0.000 1.121 1184 S CA 0.628 58.837 58.200 0.015 0.000 1.068 1184 S CB 0.999 64.208 63.200 0.014 0.000 1.141 1184 S HN 1.174 nan 8.310 nan 0.000 0.527 1185 S N 3.238 118.949 115.700 0.019 0.000 2.558 1185 S HA 0.074 4.545 4.470 0.001 0.000 0.293 1185 S C 1.333 175.933 174.600 -0.001 0.000 1.292 1185 S CA -0.495 57.707 58.200 0.004 0.000 1.063 1185 S CB 0.035 63.229 63.200 -0.010 0.000 0.831 1185 S HN 0.652 nan 8.310 nan 0.000 0.499 1186 L N 3.371 124.594 121.223 -0.001 0.000 2.275 1186 L HA 0.099 4.440 4.340 0.001 0.000 0.215 1186 L C 1.112 177.964 176.870 -0.030 0.000 1.119 1186 L CA 0.506 55.344 54.840 -0.002 0.000 0.790 1186 L CB -0.313 41.756 42.059 0.016 0.000 0.919 1186 L HN 0.631 nan 8.230 nan 0.000 0.443 1187 N N -0.896 117.771 118.700 -0.054 0.000 2.875 1187 N HA 0.103 4.844 4.740 0.001 0.000 0.253 1187 N C -2.404 173.009 175.510 -0.162 0.000 1.296 1187 N CA -0.894 52.099 53.050 -0.095 0.000 0.816 1187 N CB 1.534 39.973 38.487 -0.079 0.000 1.504 1187 N HN -0.273 nan 8.380 nan 0.000 0.582 1188 P HA 0.044 nan 4.420 nan 0.000 0.227 1188 P C 1.061 178.065 177.300 -0.492 0.000 1.161 1188 P CA 0.506 63.387 63.100 -0.366 0.000 0.788 1188 P CB 0.454 31.825 31.700 -0.548 0.000 0.822 1189 A N 0.592 123.092 122.820 -0.533 0.000 1.877 1189 A HA -0.135 4.186 4.320 0.001 0.000 0.216 1189 A C 2.305 179.640 177.584 -0.415 0.000 1.186 1189 A CA 1.319 52.965 52.037 -0.651 0.000 0.620 1189 A CB -1.521 16.802 19.000 -1.127 0.000 0.822 1189 A HN 0.091 nan 8.150 nan 0.000 0.443 1190 I N -0.202 120.207 120.570 -0.268 0.000 2.315 1190 I HA -0.207 3.964 4.170 0.001 0.000 0.248 1190 I C 1.726 177.787 176.117 -0.093 0.000 1.117 1190 I CA 1.376 62.605 61.300 -0.118 0.000 1.404 1190 I CB -0.421 37.541 38.000 -0.064 0.000 1.071 1190 I HN 0.257 nan 8.210 nan 0.000 0.419 1191 D N 0.957 121.287 120.400 -0.116 0.000 2.123 1191 D HA -0.095 4.546 4.640 0.001 0.000 0.200 1191 D C 2.235 178.485 176.300 -0.083 0.000 0.976 1191 D CA 1.236 55.189 54.000 -0.079 0.000 0.831 1191 D CB -0.159 40.601 40.800 -0.066 0.000 0.974 1191 D HN 0.295 nan 8.370 nan 0.000 0.469 1192 I N 0.959 121.446 120.570 -0.138 0.000 2.286 1192 I HA -0.159 4.012 4.170 0.001 0.000 0.248 1192 I C 2.412 178.471 176.117 -0.096 0.000 1.115 1192 I CA 1.218 62.442 61.300 -0.127 0.000 1.392 1192 I CB -0.244 37.653 38.000 -0.172 0.000 1.065 1192 I HN 0.022 nan 8.210 nan 0.000 0.418 1193 G N -0.343 108.404 108.800 -0.087 0.000 2.422 1193 G HA2 -0.199 3.762 3.960 0.001 0.000 0.218 1193 G HA3 -0.199 3.762 3.960 0.001 0.000 0.218 1193 G C 1.596 176.500 174.900 0.007 0.000 1.140 1193 G CA 0.269 45.348 45.100 -0.034 0.000 0.775 1193 G HN 0.265 nan 8.290 nan 0.000 0.545 1194 Q N 0.181 119.984 119.800 0.006 0.000 2.083 1194 Q HA 0.006 4.347 4.340 0.001 0.000 0.198 1194 Q C 2.992 179.024 176.000 0.054 0.000 0.969 1194 Q CA 0.730 56.555 55.803 0.038 0.000 0.838 1194 Q CB -0.684 28.066 28.738 0.020 0.000 0.900 1194 Q HN 0.381 nan 8.270 nan 0.000 0.436 1195 V N 1.635 121.568 119.914 0.032 0.000 2.252 1195 V HA -0.281 3.840 4.120 0.001 0.000 0.249 1195 V C 2.143 178.316 176.094 0.131 0.000 1.056 1195 V CA 2.116 64.454 62.300 0.064 0.000 1.022 1195 V CB -0.467 31.363 31.823 0.012 0.000 0.641 1195 V HN 0.402 nan 8.190 nan 0.000 0.445 1196 E N -0.067 120.173 120.200 0.068 0.000 2.072 1196 E HA -0.102 4.249 4.350 0.001 0.000 0.190 1196 E C 2.330 179.089 176.600 0.265 0.000 0.982 1196 E CA 1.084 57.579 56.400 0.159 0.000 0.803 1196 E CB -0.509 29.164 29.700 -0.046 0.000 0.755 1196 E HN 0.644 nan 8.360 nan 0.000 0.453 1197 G N 1.298 110.185 108.800 0.145 0.000 2.421 1197 G HA2 -0.273 3.687 3.960 0.001 0.000 0.216 1197 G HA3 -0.273 3.687 3.960 0.001 0.000 0.216 1197 G C 1.694 176.673 174.900 0.131 0.000 1.171 1197 G CA 0.934 46.104 45.100 0.116 0.000 0.775 1197 G HN 0.343 nan 8.290 nan 0.000 0.543 1198 A N 0.463 123.373 122.820 0.150 0.000 1.877 1198 A HA 0.060 4.381 4.320 0.001 0.000 0.216 1198 A C 2.183 179.847 177.584 0.134 0.000 1.186 1198 A CA 1.624 53.736 52.037 0.124 0.000 0.620 1198 A CB -0.638 18.425 19.000 0.104 0.000 0.822 1198 A HN 0.423 nan 8.150 nan 0.000 0.443 1199 F N 0.962 120.968 119.950 0.095 0.000 2.091 1199 F HA -0.214 4.313 4.527 0.001 0.000 0.299 1199 F C 2.196 178.045 175.800 0.082 0.000 1.103 1199 F CA 2.262 60.331 58.000 0.116 0.000 1.228 1199 F CB -0.370 38.758 39.000 0.214 0.000 0.984 1199 F HN 0.033 nan 8.300 nan 0.000 0.477 1200 V N 0.391 120.409 119.914 0.174 0.000 2.427 1200 V HA -0.306 3.815 4.120 0.001 0.000 0.248 1200 V C 2.340 178.371 176.094 -0.104 0.000 1.051 1200 V CA 2.150 64.470 62.300 0.033 0.000 1.048 1200 V CB -0.863 31.069 31.823 0.181 0.000 0.666 1200 V HN 0.417 nan 8.190 nan 0.000 0.456 1201 Q N 0.038 119.782 119.800 -0.094 0.000 2.135 1201 Q HA -0.172 4.169 4.340 0.001 0.000 0.204 1201 Q C 2.383 178.234 176.000 -0.248 0.000 0.981 1201 Q CA 1.751 57.462 55.803 -0.153 0.000 0.856 1201 Q CB -0.518 28.158 28.738 -0.102 0.000 0.902 1201 Q HN 0.741 nan 8.270 nan 0.000 0.425 1202 G N 1.298 109.951 108.800 -0.245 0.000 2.421 1202 G HA2 -0.261 3.700 3.960 0.001 0.000 0.216 1202 G HA3 -0.261 3.700 3.960 0.001 0.000 0.216 1202 G C 1.379 176.112 174.900 -0.278 0.000 1.171 1202 G CA 0.858 45.785 45.100 -0.289 0.000 0.775 1202 G HN 0.334 nan 8.290 nan 0.000 0.543 1203 L N 2.007 123.010 121.223 -0.366 0.000 2.043 1203 L HA 0.051 4.392 4.340 0.001 0.000 0.212 1203 L C 2.522 179.284 176.870 -0.180 0.000 1.075 1203 L CA 2.667 57.338 54.840 -0.282 0.000 0.752 1203 L CB -1.342 40.485 42.059 -0.387 0.000 0.891 1203 L HN 0.152 nan 8.230 nan 0.000 0.432 1204 G N -0.237 108.433 108.800 -0.216 0.000 2.402 1204 G HA2 -0.260 3.701 3.960 0.001 0.000 0.216 1204 G HA3 -0.260 3.701 3.960 0.001 0.000 0.216 1204 G C 1.597 176.323 174.900 -0.289 0.000 1.162 1204 G CA 0.859 45.827 45.100 -0.220 0.000 0.777 1204 G HN 0.481 nan 8.290 nan 0.000 0.539 1205 L N -0.143 120.820 121.223 -0.433 0.000 2.013 1205 L HA 0.042 4.382 4.340 0.001 0.000 0.212 1205 L C 2.303 178.818 176.870 -0.593 0.000 1.073 1205 L CA 1.742 56.197 54.840 -0.642 0.000 0.753 1205 L CB -0.618 40.813 42.059 -1.046 0.000 0.890 1205 L HN 0.269 nan 8.230 nan 0.000 0.432 1206 F N -1.534 118.249 119.950 -0.279 0.000 2.754 1206 F HA 0.068 4.596 4.527 0.001 0.000 0.297 1206 F C 1.797 177.560 175.800 -0.061 0.000 1.122 1206 F CA 0.646 58.493 58.000 -0.254 0.000 1.400 1206 F CB -0.127 38.698 39.000 -0.292 0.000 1.117 1206 F HN 0.302 nan 8.300 nan 0.000 0.587 1207 T N -5.010 109.565 114.554 0.035 0.000 3.046 1207 T HA 0.204 4.555 4.350 0.001 0.000 0.270 1207 T C 0.912 175.600 174.700 -0.019 0.000 0.920 1207 T CA 0.097 62.209 62.100 0.020 0.000 0.874 1207 T CB 0.183 69.067 68.868 0.027 0.000 1.214 1207 T HN 0.024 nan 8.240 nan 0.000 0.536 1208 L N 0.455 121.625 121.223 -0.088 0.000 2.815 1208 L HA 0.565 4.906 4.340 0.001 0.000 0.241 1208 L C 0.120 176.863 176.870 -0.212 0.000 1.047 1208 L CA 0.464 55.229 54.840 -0.126 0.000 0.939 1208 L CB 0.340 42.310 42.059 -0.147 0.000 1.490 1208 L HN 0.257 nan 8.230 nan 0.000 0.510 1209 E N 1.071 121.107 120.200 -0.275 0.000 2.200 1209 E HA 0.377 4.727 4.350 0.001 0.000 0.283 1209 E C -0.542 175.952 176.600 -0.178 0.000 1.015 1209 E CA -0.010 56.139 56.400 -0.419 0.000 0.819 1209 E CB 1.296 30.749 29.700 -0.412 0.000 1.081 1209 E HN 0.055 nan 8.360 nan 0.000 0.397 1210 E N 3.713 123.845 120.200 -0.113 0.000 2.291 1210 E HA 0.264 4.615 4.350 0.001 0.000 0.276 1210 E C -1.559 175.000 176.600 -0.068 0.000 0.896 1210 E CA -0.491 55.869 56.400 -0.066 0.000 0.774 1210 E CB 1.087 30.705 29.700 -0.137 0.000 1.227 1210 E HN 0.361 nan 8.360 nan 0.000 0.413 1211 L N 3.955 125.143 121.223 -0.058 0.000 2.307 1211 L HA 0.497 4.838 4.340 0.001 0.000 0.282 1211 L C -0.570 176.097 176.870 -0.338 0.000 1.051 1211 L CA -0.630 54.103 54.840 -0.178 0.000 0.804 1211 L CB 1.174 43.179 42.059 -0.090 0.000 1.197 1211 L HN 0.589 nan 8.230 nan 0.000 0.431 1212 H N 1.761 120.765 119.070 -0.109 0.000 2.489 1212 H HA 0.493 5.050 4.556 0.001 0.000 0.343 1212 H C -1.381 173.796 175.328 -0.251 0.000 1.086 1212 H CA -0.449 55.609 56.048 0.016 0.000 1.198 1212 H CB 1.444 31.311 29.762 0.174 0.000 1.490 1212 H HN 0.334 nan 8.280 nan 0.000 0.504 1213 Y N 0.656 121.046 120.300 0.149 0.000 2.429 1213 Y HA 0.249 4.800 4.550 0.001 0.000 0.342 1213 Y C 0.511 176.336 175.900 -0.124 0.000 1.004 1213 Y CA -1.056 56.996 58.100 -0.080 0.000 1.075 1213 Y CB 1.688 40.135 38.460 -0.021 0.000 1.214 1213 Y HN 0.669 nan 8.280 nan 0.000 0.455 1214 S N 2.130 117.683 115.700 -0.245 0.000 2.580 1214 S HA 0.097 4.568 4.470 0.001 0.000 0.266 1214 S C -1.972 172.674 174.600 0.078 0.000 1.354 1214 S CA -0.881 57.319 58.200 -0.001 0.000 1.008 1214 S CB 0.862 64.043 63.200 -0.033 0.000 0.898 1214 S HN 0.499 nan 8.310 nan 0.000 0.555 1215 P HA -0.023 nan 4.420 nan 0.000 0.219 1215 P C 0.554 177.874 177.300 0.032 0.000 1.146 1215 P CA 1.025 64.158 63.100 0.055 0.000 0.808 1215 P CB -0.070 31.658 31.700 0.047 0.000 0.779 1216 E N -1.343 118.875 120.200 0.031 0.000 2.502 1216 E HA 0.229 4.580 4.350 0.001 0.000 0.194 1216 E C 1.341 177.952 176.600 0.018 0.000 1.062 1216 E CA 0.660 57.070 56.400 0.018 0.000 0.867 1216 E CB -0.888 28.820 29.700 0.013 0.000 0.888 1216 E HN 0.166 nan 8.360 nan 0.000 0.510 1217 G N 0.571 109.392 108.800 0.033 0.000 2.132 1217 G HA2 -0.268 3.693 3.960 0.001 0.000 0.228 1217 G HA3 -0.268 3.693 3.960 0.001 0.000 0.228 1217 G C 0.192 175.160 174.900 0.113 0.000 1.000 1217 G CA 0.325 45.454 45.100 0.049 0.000 0.693 1217 G HN 0.280 nan 8.290 nan 0.000 0.515 1218 S N -0.270 115.469 115.700 0.065 0.000 2.429 1218 S HA 0.626 5.097 4.470 0.001 0.000 0.302 1218 S C 0.394 174.950 174.600 -0.074 0.000 1.115 1218 S CA -0.669 57.546 58.200 0.026 0.000 1.095 1218 S CB 0.896 64.084 63.200 -0.019 0.000 0.987 1218 S HN 1.255 nan 8.310 nan 0.000 0.474 1219 L N 6.834 128.039 121.223 -0.029 0.000 2.477 1219 L HA 0.255 4.596 4.340 0.001 0.000 0.272 1219 L C 1.136 177.868 176.870 -0.230 0.000 1.157 1219 L CA 0.713 55.373 54.840 -0.300 0.000 0.889 1219 L CB 0.190 42.118 42.059 -0.218 0.000 1.158 1219 L HN 0.802 nan 8.230 nan 0.000 0.473 1220 H N 1.935 120.938 119.070 -0.112 0.000 2.415 1220 H HA 0.051 4.607 4.556 0.001 0.000 0.297 1220 H C 0.336 175.659 175.328 -0.008 0.000 1.048 1220 H CA 1.151 57.191 56.048 -0.014 0.000 1.365 1220 H CB -0.180 29.606 29.762 0.039 0.000 1.421 1220 H HN 0.682 nan 8.280 nan 0.000 0.533 1221 T N -0.112 114.483 114.554 0.069 0.000 2.811 1221 T HA 0.462 4.813 4.350 0.001 0.000 0.309 1221 T C 0.727 175.439 174.700 0.020 0.000 1.005 1221 T CA -0.721 61.428 62.100 0.082 0.000 0.955 1221 T CB 0.870 69.806 68.868 0.114 0.000 0.970 1221 T HN 0.196 nan 8.240 nan 0.000 0.496 1222 R N 1.927 122.461 120.500 0.056 0.000 2.600 1222 R HA 0.429 4.770 4.340 0.001 0.000 0.392 1222 R C 0.634 176.987 176.300 0.089 0.000 1.032 1222 R CA -0.529 55.603 56.100 0.054 0.000 1.139 1222 R CB 1.304 31.645 30.300 0.068 0.000 1.400 1222 R HN 0.807 nan 8.270 nan 0.000 0.566 1223 G N 0.410 109.287 108.800 0.128 0.000 2.600 1223 G HA2 0.199 4.159 3.960 0.001 0.000 0.293 1223 G HA3 0.199 4.159 3.960 0.001 0.000 0.293 1223 G C -2.579 172.485 174.900 0.273 0.000 1.408 1223 G CA -0.738 44.480 45.100 0.197 0.000 0.782 1223 G HN -0.304 nan 8.290 nan 0.000 0.482 1224 P HA -0.073 nan 4.420 nan 0.000 0.225 1224 P C 1.814 179.160 177.300 0.077 0.000 1.148 1224 P CA 1.691 64.894 63.100 0.171 0.000 0.779 1224 P CB 0.169 31.981 31.700 0.187 0.000 0.780 1225 S N 0.107 115.847 115.700 0.067 0.000 2.382 1225 S HA -0.122 4.348 4.470 0.001 0.000 0.228 1225 S C 1.844 176.462 174.600 0.031 0.000 1.027 1225 S CA 2.095 60.309 58.200 0.024 0.000 0.991 1225 S CB -1.815 61.378 63.200 -0.012 0.000 0.823 1225 S HN 0.365 nan 8.310 nan 0.000 0.469 1226 T N -3.807 110.790 114.554 0.072 0.000 2.959 1226 T HA 0.276 4.626 4.350 0.001 0.000 0.254 1226 T C -0.072 174.715 174.700 0.145 0.000 1.003 1226 T CA -0.416 61.743 62.100 0.098 0.000 0.950 1226 T CB -0.308 68.630 68.868 0.117 0.000 1.090 1226 T HN 0.365 nan 8.240 nan 0.000 0.503 1227 Y N 3.008 123.312 120.300 0.007 0.000 2.342 1227 Y HA 0.562 5.113 4.550 0.001 0.000 0.338 1227 Y C -0.986 174.855 175.900 -0.098 0.000 0.965 1227 Y CA -1.640 56.444 58.100 -0.027 0.000 1.159 1227 Y CB 0.940 39.412 38.460 0.019 0.000 1.157 1227 Y HN -0.169 nan 8.280 nan 0.000 0.486 1228 K N 9.014 129.050 120.400 -0.606 0.000 2.404 1228 K HA 0.318 4.639 4.320 0.001 0.000 0.257 1228 K C -0.344 175.939 176.600 -0.528 0.000 1.026 1228 K CA -0.421 55.609 56.287 -0.429 0.000 0.951 1228 K CB 0.826 33.185 32.500 -0.234 0.000 1.203 1228 K HN 0.833 nan 8.250 nan 0.000 0.446 1229 I N -0.743 119.536 120.570 -0.486 0.000 2.970 1229 I HA 0.447 4.618 4.170 0.001 0.000 0.310 1229 I C -2.179 173.822 176.117 -0.192 0.000 1.010 1229 I CA -2.679 58.404 61.300 -0.363 0.000 1.228 1229 I CB 0.274 38.066 38.000 -0.346 0.000 1.433 1229 I HN 0.147 nan 8.210 nan 0.000 0.573 1230 P HA 0.121 nan 4.420 nan 0.000 0.265 1230 P C -0.786 176.561 177.300 0.078 0.000 1.193 1230 P CA 0.128 63.226 63.100 -0.004 0.000 0.765 1230 P CB 0.686 32.425 31.700 0.066 0.000 0.823 1231 A N 2.519 125.297 122.820 -0.070 0.000 2.248 1231 A HA 0.433 4.754 4.320 0.001 0.000 0.316 1231 A C 0.797 177.941 177.584 -0.732 0.000 1.101 1231 A CA -0.411 51.507 52.037 -0.198 0.000 0.875 1231 A CB -0.190 18.772 19.000 -0.064 0.000 1.207 1231 A HN 0.445 nan 8.150 nan 0.000 0.504 1232 F N 0.499 119.866 119.950 -0.971 0.000 2.120 1232 F HA -0.116 4.412 4.527 0.001 0.000 0.300 1232 F C 2.522 178.122 175.800 -0.334 0.000 1.095 1232 F CA 2.489 59.946 58.000 -0.905 0.000 1.249 1232 F CB -0.360 38.466 39.000 -0.291 0.000 0.995 1232 F HN 0.630 nan 8.300 nan 0.000 0.480 1233 G N -1.930 106.891 108.800 0.036 0.000 2.776 1233 G HA2 -0.092 3.869 3.960 0.001 0.000 0.209 1233 G HA3 -0.092 3.869 3.960 0.001 0.000 0.209 1233 G C 1.521 176.426 174.900 0.008 0.000 1.145 1233 G CA 0.776 45.925 45.100 0.082 0.000 0.791 1233 G HN 0.329 nan 8.290 nan 0.000 0.530 1234 S N -0.039 115.623 115.700 -0.064 0.000 2.501 1234 S HA 0.177 4.647 4.470 0.001 0.000 0.220 1234 S C 1.222 175.807 174.600 -0.026 0.000 0.997 1234 S CA -0.275 57.887 58.200 -0.063 0.000 0.919 1234 S CB -0.074 63.087 63.200 -0.066 0.000 0.778 1234 S HN 0.614 nan 8.310 nan 0.000 0.523 1235 I N -0.025 120.546 120.570 0.003 0.000 2.945 1235 I HA 0.404 4.575 4.170 0.001 0.000 0.292 1235 I C -2.971 173.104 176.117 -0.071 0.000 1.093 1235 I CA -2.660 58.631 61.300 -0.016 0.000 1.336 1235 I CB -0.095 37.957 38.000 0.087 0.000 1.435 1235 I HN -0.227 nan 8.210 nan 0.000 0.593 1236 P HA 0.098 nan 4.420 nan 0.000 0.267 1236 P C 0.241 177.533 177.300 -0.014 0.000 1.205 1236 P CA 0.015 63.018 63.100 -0.162 0.000 0.765 1236 P CB 0.780 32.271 31.700 -0.348 0.000 0.828 1237 T N 1.004 115.593 114.554 0.059 0.000 2.746 1237 T HA -0.170 4.181 4.350 0.001 0.000 0.267 1237 T C 0.623 175.416 174.700 0.155 0.000 1.039 1237 T CA 1.338 63.515 62.100 0.129 0.000 1.142 1237 T CB -0.240 68.712 68.868 0.140 0.000 0.866 1237 T HN 0.498 nan 8.240 nan 0.000 0.444 1238 E N 0.290 120.570 120.200 0.132 0.000 2.113 1238 E HA 0.416 4.766 4.350 0.001 0.000 0.273 1238 E C -1.588 175.132 176.600 0.200 0.000 0.924 1238 E CA -0.547 55.945 56.400 0.153 0.000 0.764 1238 E CB 0.454 30.224 29.700 0.116 0.000 1.104 1238 E HN 0.346 nan 8.360 nan 0.000 0.406 1239 F N 5.534 125.503 119.950 0.031 0.000 2.577 1239 F HA 0.474 5.001 4.527 0.001 0.000 0.344 1239 F C -0.736 175.054 175.800 -0.017 0.000 1.145 1239 F CA -0.983 57.012 58.000 -0.008 0.000 0.996 1239 F CB 0.883 39.898 39.000 0.023 0.000 1.248 1239 F HN 0.372 nan 8.300 nan 0.000 0.447 1240 R N 5.178 125.776 120.500 0.163 0.000 2.534 1240 R HA 0.675 5.016 4.340 0.001 0.000 0.301 1240 R C -1.558 174.695 176.300 -0.079 0.000 0.961 1240 R CA -0.984 55.115 56.100 -0.000 0.000 0.871 1240 R CB 2.866 33.183 30.300 0.028 0.000 1.170 1240 R HN 0.321 nan 8.270 nan 0.000 0.446 1241 V N 1.864 121.703 119.914 -0.126 0.000 2.588 1241 V HA 0.402 4.523 4.120 0.001 0.000 0.304 1241 V C -0.527 175.543 176.094 -0.039 0.000 1.042 1241 V CA -0.685 61.544 62.300 -0.119 0.000 0.877 1241 V CB 2.197 33.893 31.823 -0.211 0.000 0.996 1241 V HN 0.791 nan 8.190 nan 0.000 0.425 1242 S N 5.169 120.862 115.700 -0.011 0.000 2.500 1242 S HA 0.706 5.176 4.470 0.001 0.000 0.301 1242 S C -0.689 173.933 174.600 0.036 0.000 1.092 1242 S CA -0.651 57.563 58.200 0.023 0.000 1.030 1242 S CB 1.644 64.853 63.200 0.014 0.000 1.031 1242 S HN 0.523 nan 8.310 nan 0.000 0.483 1243 L N 2.876 124.140 121.223 0.067 0.000 2.276 1243 L HA 0.392 4.733 4.340 0.001 0.000 0.286 1243 L C -0.224 176.682 176.870 0.061 0.000 1.061 1243 L CA -0.979 53.901 54.840 0.066 0.000 0.807 1243 L CB 0.793 42.904 42.059 0.087 0.000 1.177 1243 L HN 0.511 nan 8.230 nan 0.000 0.429 1244 L N 5.090 126.345 121.223 0.053 0.000 2.628 1244 L HA -0.019 4.322 4.340 0.001 0.000 0.274 1244 L C 0.541 177.435 176.870 0.039 0.000 1.209 1244 L CA 0.696 55.563 54.840 0.044 0.000 0.930 1244 L CB -0.003 42.087 42.059 0.050 0.000 1.183 1244 L HN 0.487 nan 8.230 nan 0.000 0.492 1245 R N 4.665 125.181 120.500 0.027 0.000 2.582 1245 R HA 0.165 4.506 4.340 0.001 0.000 0.271 1245 R C -0.165 176.145 176.300 0.017 0.000 1.078 1245 R CA -0.423 55.688 56.100 0.019 0.000 1.127 1245 R CB 0.199 30.500 30.300 0.003 0.000 1.038 1245 R HN 0.690 nan 8.270 nan 0.000 0.500 1246 D N 0.605 121.014 120.400 0.015 0.000 2.735 1246 D HA -0.140 4.501 4.640 0.001 0.000 0.235 1246 D C -0.327 175.983 176.300 0.015 0.000 1.175 1246 D CA 0.966 54.974 54.000 0.012 0.000 0.683 1246 D CB -1.112 39.693 40.800 0.008 0.000 1.008 1246 D HN 0.751 nan 8.370 nan 0.000 0.416 1247 C N -1.303 118.008 119.300 0.018 0.000 3.290 1247 C HA 0.376 4.837 4.460 0.001 0.000 0.206 1247 C C -2.117 172.877 174.990 0.007 0.000 1.639 1247 C CA -1.879 57.150 59.018 0.019 0.000 1.408 1247 C CB 0.223 27.983 27.740 0.034 0.000 2.197 1247 C HN 0.126 nan 8.230 nan 0.000 0.508 1248 P HA 0.049 nan 4.420 nan 0.000 0.264 1248 P C -0.497 176.778 177.300 -0.043 0.000 1.183 1248 P CA 0.878 63.968 63.100 -0.017 0.000 0.763 1248 P CB 0.685 32.379 31.700 -0.010 0.000 0.807 1249 N N 2.516 121.162 118.700 -0.089 0.000 2.501 1249 N HA 0.074 4.814 4.740 0.001 0.000 0.245 1249 N C 1.093 176.503 175.510 -0.166 0.000 0.974 1249 N CA -0.656 52.292 53.050 -0.169 0.000 0.941 1249 N CB 0.768 39.063 38.487 -0.321 0.000 1.122 1249 N HN 0.255 nan 8.380 nan 0.000 0.507 1250 K N 2.482 122.808 120.400 -0.123 0.000 2.432 1250 K HA 0.040 4.361 4.320 0.001 0.000 0.196 1250 K C 0.414 176.954 176.600 -0.100 0.000 1.038 1250 K CA 0.624 56.858 56.287 -0.088 0.000 0.986 1250 K CB 0.193 32.664 32.500 -0.049 0.000 0.782 1250 K HN 0.321 nan 8.250 nan 0.000 0.485 1251 K N 0.737 121.036 120.400 -0.168 0.000 2.487 1251 K HA 0.141 4.462 4.320 0.001 0.000 0.192 1251 K C 0.413 177.032 176.600 0.031 0.000 1.027 1251 K CA 0.323 56.544 56.287 -0.110 0.000 1.054 1251 K CB 0.559 32.853 32.500 -0.344 0.000 0.824 1251 K HN 0.287 nan 8.250 nan 0.000 0.510 1252 A N 0.913 123.659 122.820 -0.123 0.000 2.569 1252 A HA 0.415 4.735 4.320 0.001 0.000 0.290 1252 A C -0.811 176.658 177.584 -0.192 0.000 1.136 1252 A CA -0.911 51.060 52.037 -0.109 0.000 0.710 1252 A CB 0.838 19.798 19.000 -0.067 0.000 1.303 1252 A HN 0.132 nan 8.150 nan 0.000 0.413 1253 I N 1.087 121.499 120.570 -0.264 0.000 3.114 1253 I HA -0.059 4.111 4.170 0.001 0.000 0.320 1253 I C 0.196 176.176 176.117 -0.228 0.000 1.230 1253 I CA 1.410 62.477 61.300 -0.387 0.000 1.440 1253 I CB -1.143 36.636 38.000 -0.369 0.000 1.334 1253 I HN 0.624 nan 8.210 nan 0.000 0.532 1254 Y N 5.703 125.893 120.300 -0.183 0.000 3.305 1254 Y HA -0.283 4.267 4.550 0.001 0.000 0.214 1254 Y C 1.430 177.271 175.900 -0.098 0.000 1.185 1254 Y CA 0.595 58.621 58.100 -0.124 0.000 1.326 1254 Y CB -1.792 36.615 38.460 -0.090 0.000 1.367 1254 Y HN 1.058 nan 8.280 nan 0.000 0.588 1255 A N -1.291 121.525 122.820 -0.007 0.000 2.945 1255 A HA -0.228 4.092 4.320 0.001 0.000 0.251 1255 A C 0.966 178.517 177.584 -0.054 0.000 1.355 1255 A CA 0.921 52.934 52.037 -0.041 0.000 0.905 1255 A CB -1.952 17.042 19.000 -0.010 0.000 1.104 1255 A HN 1.244 nan 8.150 nan 0.000 0.733 1256 S N -0.962 114.709 115.700 -0.049 0.000 2.713 1256 S HA 0.802 5.273 4.470 0.001 0.000 0.277 1256 S C -0.114 174.435 174.600 -0.084 0.000 1.168 1256 S CA -0.218 57.960 58.200 -0.036 0.000 0.994 1256 S CB 1.460 64.660 63.200 0.001 0.000 1.054 1256 S HN 0.552 nan 8.310 nan 0.000 0.555 1257 K N -0.207 120.185 120.400 -0.014 0.000 2.469 1257 K HA 0.623 4.944 4.320 0.001 0.000 0.254 1257 K C -0.673 176.016 176.600 0.148 0.000 0.939 1257 K CA -0.840 55.495 56.287 0.081 0.000 0.812 1257 K CB 2.181 34.745 32.500 0.106 0.000 1.301 1257 K HN 0.859 nan 8.250 nan 0.000 0.433 1258 A N 1.244 124.208 122.820 0.240 0.000 2.565 1258 A HA 0.056 4.377 4.320 0.001 0.000 0.237 1258 A C 0.679 178.296 177.584 0.056 0.000 1.053 1258 A CA 0.171 52.270 52.037 0.102 0.000 0.755 1258 A CB 0.341 19.368 19.000 0.045 0.000 0.980 1258 A HN 0.553 nan 8.150 nan 0.000 0.506 1259 V N 2.575 122.494 119.914 0.009 0.000 3.497 1259 V HA 0.223 4.343 4.120 0.001 0.000 0.272 1259 V C 1.774 177.843 176.094 -0.042 0.000 1.474 1259 V CA 1.503 63.799 62.300 -0.007 0.000 1.025 1259 V CB -0.121 31.704 31.823 0.004 0.000 0.820 1259 V HN 1.097 nan 8.190 nan 0.000 0.437 1260 G N 0.167 108.937 108.800 -0.050 0.000 2.421 1260 G HA2 -0.209 3.752 3.960 0.001 0.000 0.216 1260 G HA3 -0.209 3.752 3.960 0.001 0.000 0.216 1260 G C 1.238 176.091 174.900 -0.079 0.000 1.171 1260 G CA 1.383 46.461 45.100 -0.038 0.000 0.775 1260 G HN 0.598 nan 8.290 nan 0.000 0.543 1261 E N 0.229 120.292 120.200 -0.227 0.000 2.201 1261 E HA 0.026 4.376 4.350 0.001 0.000 0.193 1261 E C -0.294 175.917 176.600 -0.648 0.000 0.957 1261 E CA -0.072 56.076 56.400 -0.420 0.000 0.858 1261 E CB 0.030 29.354 29.700 -0.626 0.000 0.816 1261 E HN 0.272 nan 8.360 nan 0.000 0.475 1262 P HA -0.147 nan 4.420 nan 0.000 0.217 1262 P C -1.687 175.541 177.300 -0.121 0.000 1.151 1262 P CA 1.751 64.568 63.100 -0.472 0.000 0.849 1262 P CB -0.778 30.836 31.700 -0.144 0.000 0.787 1263 P HA 0.004 nan 4.420 nan 0.000 0.236 1263 P C 1.489 178.878 177.300 0.148 0.000 1.177 1263 P CA 0.462 63.625 63.100 0.104 0.000 0.773 1263 P CB -0.387 31.385 31.700 0.119 0.000 0.878 1264 L N -1.328 119.935 121.223 0.068 0.000 2.046 1264 L HA -0.130 4.210 4.340 0.001 0.000 0.208 1264 L C 2.126 179.092 176.870 0.160 0.000 1.077 1264 L CA 1.497 56.385 54.840 0.079 0.000 0.747 1264 L CB -0.704 41.366 42.059 0.018 0.000 0.896 1264 L HN -0.115 nan 8.230 nan 0.000 0.432 1265 F N 0.322 120.336 119.950 0.107 0.000 2.307 1265 F HA -0.201 4.327 4.527 0.001 0.000 0.301 1265 F C 1.866 177.790 175.800 0.206 0.000 1.076 1265 F CA 1.341 59.469 58.000 0.213 0.000 1.383 1265 F CB -0.326 38.786 39.000 0.187 0.000 1.055 1265 F HN 0.032 nan 8.300 nan 0.000 0.526 1266 L N -0.313 120.944 121.223 0.057 0.000 2.353 1266 L HA -0.140 4.201 4.340 0.001 0.000 0.220 1266 L C 2.648 179.542 176.870 0.040 0.000 1.133 1266 L CA 0.949 55.831 54.840 0.069 0.000 0.798 1266 L CB -1.471 40.779 42.059 0.318 0.000 0.922 1266 L HN 0.307 nan 8.230 nan 0.000 0.445 1267 G N -0.215 108.442 108.800 -0.239 0.000 2.498 1267 G HA2 -0.185 3.775 3.960 0.001 0.000 0.219 1267 G HA3 -0.185 3.775 3.960 0.001 0.000 0.219 1267 G C 1.686 176.409 174.900 -0.295 0.000 1.119 1267 G CA 0.684 45.399 45.100 -0.641 0.000 0.766 1267 G HN 0.476 nan 8.290 nan 0.000 0.552 1268 A N 1.252 123.758 122.820 -0.523 0.000 2.121 1268 A HA 0.069 4.390 4.320 0.001 0.000 0.218 1268 A C 2.633 180.098 177.584 -0.198 0.000 1.154 1268 A CA 1.859 53.403 52.037 -0.823 0.000 0.679 1268 A CB -0.482 17.641 19.000 -1.462 0.000 0.795 1268 A HN 0.638 nan 8.150 nan 0.000 0.458 1269 S N -0.257 115.396 115.700 -0.077 0.000 2.400 1269 S HA -0.141 4.330 4.470 0.001 0.000 0.232 1269 S C 1.656 176.329 174.600 0.122 0.000 1.025 1269 S CA 1.486 59.755 58.200 0.115 0.000 0.993 1269 S CB -0.831 62.468 63.200 0.166 0.000 0.808 1269 S HN 0.266 nan 8.310 nan 0.000 0.478 1270 V N 0.922 120.876 119.914 0.066 0.000 2.379 1270 V HA -0.029 4.092 4.120 0.001 0.000 0.245 1270 V C 2.046 178.117 176.094 -0.038 0.000 1.044 1270 V CA 1.783 64.106 62.300 0.038 0.000 1.036 1270 V CB -1.020 30.823 31.823 0.034 0.000 0.664 1270 V HN 0.555 nan 8.190 nan 0.000 0.453 1271 F N 0.535 120.334 119.950 -0.251 0.000 2.095 1271 F HA -0.217 4.311 4.527 0.001 0.000 0.298 1271 F C 2.030 177.574 175.800 -0.427 0.000 1.104 1271 F CA 1.918 59.683 58.000 -0.391 0.000 1.232 1271 F CB -0.279 38.363 39.000 -0.596 0.000 0.987 1271 F HN 0.128 nan 8.300 nan 0.000 0.475 1272 F N 0.093 120.159 119.950 0.193 0.000 2.259 1272 F HA -0.000 4.528 4.527 0.001 0.000 0.298 1272 F C 2.497 178.297 175.800 0.000 0.000 1.088 1272 F CA 0.726 58.788 58.000 0.104 0.000 1.358 1272 F CB -1.005 38.059 39.000 0.107 0.000 1.040 1272 F HN 0.065 nan 8.300 nan 0.000 0.505 1273 A N 0.772 123.661 122.820 0.115 0.000 1.883 1273 A HA -0.186 4.135 4.320 0.001 0.000 0.217 1273 A C 2.196 179.755 177.584 -0.043 0.000 1.186 1273 A CA 1.714 53.777 52.037 0.044 0.000 0.624 1273 A CB -1.093 17.930 19.000 0.038 0.000 0.822 1273 A HN 0.376 nan 8.150 nan 0.000 0.444 1274 I N -0.549 119.926 120.570 -0.159 0.000 2.163 1274 I HA -0.308 3.863 4.170 0.001 0.000 0.243 1274 I C 2.584 178.590 176.117 -0.186 0.000 1.085 1274 I CA 2.043 63.196 61.300 -0.245 0.000 1.347 1274 I CB -0.236 37.495 38.000 -0.448 0.000 1.044 1274 I HN 0.400 nan 8.210 nan 0.000 0.408 1275 K N 0.751 121.013 120.400 -0.230 0.000 2.057 1275 K HA -0.270 4.051 4.320 0.001 0.000 0.207 1275 K C 1.819 178.486 176.600 0.112 0.000 1.049 1275 K CA 2.057 58.312 56.287 -0.055 0.000 0.931 1275 K CB -0.134 32.303 32.500 -0.105 0.000 0.714 1275 K HN 0.169 nan 8.250 nan 0.000 0.440 1276 D N 0.072 120.524 120.400 0.087 0.000 2.116 1276 D HA -0.167 4.474 4.640 0.001 0.000 0.193 1276 D C 1.659 178.003 176.300 0.073 0.000 0.998 1276 D CA 1.678 55.736 54.000 0.096 0.000 0.836 1276 D CB -0.097 40.752 40.800 0.081 0.000 0.951 1276 D HN 0.346 nan 8.370 nan 0.000 0.449 1277 A N -0.071 122.770 122.820 0.036 0.000 1.898 1277 A HA -0.090 4.231 4.320 0.001 0.000 0.216 1277 A C 2.468 180.069 177.584 0.028 0.000 1.181 1277 A CA 1.120 53.173 52.037 0.028 0.000 0.620 1277 A CB -0.747 18.257 19.000 0.006 0.000 0.819 1277 A HN 0.369 nan 8.150 nan 0.000 0.442 1278 I N -0.678 119.912 120.570 0.033 0.000 2.286 1278 I HA -0.280 3.890 4.170 0.001 0.000 0.248 1278 I C 2.727 178.816 176.117 -0.046 0.000 1.115 1278 I CA 1.242 62.538 61.300 -0.008 0.000 1.392 1278 I CB -0.307 37.706 38.000 0.021 0.000 1.065 1278 I HN 0.300 nan 8.210 nan 0.000 0.418 1279 R N 0.711 121.269 120.500 0.098 0.000 2.081 1279 R HA -0.147 4.194 4.340 0.001 0.000 0.235 1279 R C 2.433 178.744 176.300 0.018 0.000 1.131 1279 R CA 1.518 57.681 56.100 0.105 0.000 0.960 1279 R CB -0.525 29.906 30.300 0.218 0.000 0.856 1279 R HN 0.372 nan 8.270 nan 0.000 0.436 1280 A N 1.376 124.207 122.820 0.019 0.000 1.933 1280 A HA -0.077 4.244 4.320 0.001 0.000 0.218 1280 A C 2.397 179.945 177.584 -0.059 0.000 1.175 1280 A CA 1.580 53.611 52.037 -0.010 0.000 0.628 1280 A CB -0.520 18.488 19.000 0.013 0.000 0.814 1280 A HN 0.386 nan 8.150 nan 0.000 0.444 1281 A N -0.127 122.663 122.820 -0.052 0.000 1.902 1281 A HA -0.158 4.163 4.320 0.001 0.000 0.217 1281 A C 2.251 179.778 177.584 -0.095 0.000 1.181 1281 A CA 1.567 53.565 52.037 -0.066 0.000 0.623 1281 A CB -0.428 18.567 19.000 -0.007 0.000 0.818 1281 A HN 0.550 nan 8.150 nan 0.000 0.443 1282 R N -0.585 119.844 120.500 -0.119 0.000 2.092 1282 R HA 0.003 4.343 4.340 0.001 0.000 0.231 1282 R C 2.471 178.713 176.300 -0.096 0.000 1.119 1282 R CA 1.056 57.078 56.100 -0.130 0.000 0.970 1282 R CB -0.451 29.711 30.300 -0.230 0.000 0.864 1282 R HN 0.498 nan 8.270 nan 0.000 0.440 1283 A N 1.004 123.773 122.820 -0.085 0.000 1.940 1283 A HA -0.284 4.037 4.320 0.001 0.000 0.219 1283 A C 2.120 179.621 177.584 -0.139 0.000 1.176 1283 A CA 1.690 53.681 52.037 -0.078 0.000 0.631 1283 A CB -0.441 18.528 19.000 -0.053 0.000 0.814 1283 A HN 0.277 nan 8.150 nan 0.000 0.446 1284 Q N -0.875 118.790 119.800 -0.225 0.000 2.016 1284 Q HA -0.165 4.176 4.340 0.001 0.000 0.200 1284 Q C 1.378 177.064 176.000 -0.524 0.000 0.978 1284 Q CA 2.384 57.926 55.803 -0.434 0.000 0.833 1284 Q CB -0.277 28.101 28.738 -0.601 0.000 0.895 1284 Q HN 0.832 nan 8.270 nan 0.000 0.427 1285 H N -2.398 116.590 119.070 -0.137 0.000 2.986 1285 H HA 0.308 4.865 4.556 0.001 0.000 0.267 1285 H C 0.758 176.038 175.328 -0.079 0.000 1.072 1285 H CA 0.623 56.602 56.048 -0.115 0.000 1.202 1285 H CB 1.077 30.767 29.762 -0.120 0.000 1.535 1285 H HN 0.168 nan 8.280 nan 0.000 0.522 1286 T N -0.955 113.607 114.554 0.014 0.000 3.151 1286 T HA 0.130 4.480 4.350 0.001 0.000 0.239 1286 T C 0.428 175.119 174.700 -0.015 0.000 0.979 1286 T CA 0.147 62.243 62.100 -0.006 0.000 1.194 1286 T CB 0.212 69.056 68.868 -0.039 0.000 0.982 1286 T HN 0.116 nan 8.240 nan 0.000 0.428 1287 N N 0.386 119.072 118.700 -0.025 0.000 2.321 1287 N HA 0.395 5.136 4.740 0.001 0.000 0.290 1287 N C -0.077 175.424 175.510 -0.014 0.000 1.212 1287 N CA -0.629 52.414 53.050 -0.012 0.000 0.767 1287 N CB 1.700 40.187 38.487 -0.001 0.000 1.494 1287 N HN -0.045 nan 8.380 nan 0.000 0.479 1288 N N 0.125 118.823 118.700 -0.004 0.000 2.325 1288 N HA -0.033 4.707 4.740 0.001 0.000 0.182 1288 N C -0.431 175.086 175.510 0.012 0.000 1.088 1288 N CA 0.223 53.273 53.050 -0.001 0.000 0.879 1288 N CB -0.065 38.421 38.487 -0.001 0.000 0.983 1288 N HN 0.462 nan 8.380 nan 0.000 0.471 1289 N N 2.125 120.838 118.700 0.022 0.000 2.410 1289 N HA -0.029 4.712 4.740 0.001 0.000 0.281 1289 N C 0.909 176.448 175.510 0.050 0.000 1.241 1289 N CA 0.217 53.290 53.050 0.037 0.000 0.998 1289 N CB 0.233 38.747 38.487 0.045 0.000 1.376 1289 N HN 0.121 nan 8.380 nan 0.000 0.490 1290 T N -0.027 114.555 114.554 0.047 0.000 3.148 1290 T HA 0.074 4.424 4.350 0.001 0.000 0.253 1290 T C 0.874 175.620 174.700 0.077 0.000 1.134 1290 T CA 0.672 62.806 62.100 0.057 0.000 1.051 1290 T CB -0.036 68.858 68.868 0.044 0.000 0.959 1290 T HN 0.373 nan 8.240 nan 0.000 0.525 1291 K N 1.227 121.675 120.400 0.080 0.000 2.399 1291 K HA 0.199 4.520 4.320 0.001 0.000 0.204 1291 K C 0.503 177.169 176.600 0.110 0.000 1.023 1291 K CA -0.222 56.122 56.287 0.095 0.000 1.127 1291 K CB 0.536 33.089 32.500 0.089 0.000 0.856 1291 K HN 0.603 nan 8.250 nan 0.000 0.514 1292 E N 1.777 122.049 120.200 0.118 0.000 2.413 1292 E HA 0.008 4.359 4.350 0.001 0.000 0.263 1292 E C -0.916 175.797 176.600 0.189 0.000 1.015 1292 E CA 0.045 56.532 56.400 0.145 0.000 0.916 1292 E CB 0.523 30.313 29.700 0.149 0.000 0.947 1292 E HN 0.116 nan 8.360 nan 0.000 0.440 1293 L N 6.407 127.735 121.223 0.175 0.000 2.318 1293 L HA 0.382 4.722 4.340 0.001 0.000 0.277 1293 L C -0.528 176.447 176.870 0.175 0.000 1.008 1293 L CA -0.995 53.930 54.840 0.141 0.000 0.846 1293 L CB 0.329 42.452 42.059 0.108 0.000 1.220 1293 L HN 0.491 nan 8.230 nan 0.000 0.423 1294 F N 0.707 120.713 119.950 0.093 0.000 2.425 1294 F HA 0.659 5.187 4.527 0.001 0.000 0.331 1294 F C 0.227 176.097 175.800 0.117 0.000 1.085 1294 F CA -1.174 56.879 58.000 0.089 0.000 1.028 1294 F CB 0.847 39.886 39.000 0.066 0.000 1.177 1294 F HN 0.340 nan 8.300 nan 0.000 0.487 1295 R N 3.527 124.103 120.500 0.126 0.000 2.267 1295 R HA 0.492 4.833 4.340 0.001 0.000 0.319 1295 R C -1.686 174.695 176.300 0.134 0.000 1.067 1295 R CA -0.611 55.541 56.100 0.087 0.000 0.936 1295 R CB 0.672 31.069 30.300 0.160 0.000 1.006 1295 R HN 0.861 nan 8.270 nan 0.000 0.452 1296 L N 5.261 126.531 121.223 0.077 0.000 2.342 1296 L HA 0.396 4.736 4.340 0.001 0.000 0.276 1296 L C -1.183 175.939 176.870 0.420 0.000 0.997 1296 L CA -0.424 54.547 54.840 0.218 0.000 0.838 1296 L CB 1.409 43.523 42.059 0.092 0.000 1.224 1296 L HN 0.679 nan 8.230 nan 0.000 0.416 1297 D N 1.657 122.293 120.400 0.392 0.000 2.383 1297 D HA 0.257 4.898 4.640 0.001 0.000 0.248 1297 D C -0.418 176.186 176.300 0.506 0.000 1.170 1297 D CA -0.043 54.235 54.000 0.463 0.000 0.977 1297 D CB 1.676 42.721 40.800 0.408 0.000 1.120 1297 D HN 0.453 nan 8.370 nan 0.000 0.481 1298 S N 0.278 116.167 115.700 0.315 0.000 2.525 1298 S HA 0.511 4.981 4.470 0.001 0.000 0.290 1298 S C -2.634 172.011 174.600 0.075 0.000 1.152 1298 S CA -1.440 56.808 58.200 0.080 0.000 1.072 1298 S CB 1.150 63.988 63.200 -0.603 0.000 1.027 1298 S HN 0.155 nan 8.310 nan 0.000 0.500 1299 P HA 0.292 nan 4.420 nan 0.000 0.282 1299 P C -1.335 176.063 177.300 0.163 0.000 1.249 1299 P CA -0.616 62.534 63.100 0.083 0.000 0.806 1299 P CB 0.963 32.652 31.700 -0.017 0.000 0.984 1300 A N 2.467 125.406 122.820 0.197 0.000 2.922 1300 A HA 0.390 4.711 4.320 0.001 0.000 0.298 1300 A C 0.934 178.479 177.584 -0.064 0.000 1.588 1300 A CA -0.178 51.857 52.037 -0.003 0.000 1.288 1300 A CB -1.311 17.506 19.000 -0.304 0.000 1.130 1300 A HN 0.591 nan 8.150 nan 0.000 0.557 1301 T N -0.403 114.124 114.554 -0.045 0.000 2.816 1301 T HA 0.372 4.722 4.350 0.001 0.000 0.282 1301 T C -1.727 172.892 174.700 -0.135 0.000 0.993 1301 T CA -1.447 60.616 62.100 -0.062 0.000 0.994 1301 T CB 0.463 69.302 68.868 -0.048 0.000 1.025 1301 T HN 0.170 nan 8.240 nan 0.000 0.529 1302 P HA -0.138 nan 4.420 nan 0.000 0.216 1302 P C 1.506 178.387 177.300 -0.698 0.000 1.150 1302 P CA 1.177 64.168 63.100 -0.182 0.000 0.843 1302 P CB 0.037 31.772 31.700 0.059 0.000 0.787 1303 E N 0.246 119.843 120.200 -1.004 0.000 2.070 1303 E HA -0.247 4.103 4.350 0.001 0.000 0.197 1303 E C 1.715 177.933 176.600 -0.637 0.000 1.004 1303 E CA 1.450 57.020 56.400 -1.383 0.000 0.805 1303 E CB -0.137 29.198 29.700 -0.609 0.000 0.744 1303 E HN 0.193 nan 8.360 nan 0.000 0.451 1304 K N -0.092 120.116 120.400 -0.319 0.000 2.116 1304 K HA -0.018 4.303 4.320 0.001 0.000 0.203 1304 K C 2.280 178.806 176.600 -0.123 0.000 1.052 1304 K CA 0.818 57.021 56.287 -0.139 0.000 0.952 1304 K CB 0.031 32.509 32.500 -0.035 0.000 0.729 1304 K HN 0.242 nan 8.250 nan 0.000 0.446 1305 I N 0.740 121.212 120.570 -0.164 0.000 2.163 1305 I HA -0.256 3.915 4.170 0.001 0.000 0.240 1305 I C 2.612 178.679 176.117 -0.084 0.000 1.081 1305 I CA 1.002 62.233 61.300 -0.114 0.000 1.353 1305 I CB -0.184 37.752 38.000 -0.107 0.000 1.054 1305 I HN 0.048 nan 8.210 nan 0.000 0.407 1306 R N 1.790 122.222 120.500 -0.115 0.000 2.083 1306 R HA -0.169 4.171 4.340 0.001 0.000 0.237 1306 R C 1.930 178.236 176.300 0.010 0.000 1.137 1306 R CA 1.874 57.975 56.100 0.003 0.000 0.951 1306 R CB -0.624 29.763 30.300 0.145 0.000 0.851 1306 R HN 0.286 nan 8.270 nan 0.000 0.434 1307 N N 0.220 118.892 118.700 -0.047 0.000 2.272 1307 N HA -0.121 4.620 4.740 0.001 0.000 0.185 1307 N C 1.219 176.721 175.510 -0.014 0.000 1.014 1307 N CA 1.502 54.550 53.050 -0.003 0.000 0.870 1307 N CB -0.322 38.157 38.487 -0.014 0.000 0.975 1307 N HN 0.418 nan 8.380 nan 0.000 0.433 1308 A N -0.556 122.238 122.820 -0.042 0.000 2.123 1308 A HA 0.043 4.364 4.320 0.001 0.000 0.214 1308 A C 1.120 178.614 177.584 -0.150 0.000 1.152 1308 A CA 0.123 52.097 52.037 -0.105 0.000 0.728 1308 A CB -0.161 18.774 19.000 -0.108 0.000 0.814 1308 A HN 0.321 nan 8.150 nan 0.000 0.464 1309 C N 1.834 121.101 119.300 -0.055 0.000 3.057 1309 C HA 0.382 4.843 4.460 0.001 0.000 0.563 1309 C C 0.701 175.715 174.990 0.039 0.000 1.129 1309 C CA -0.960 58.056 59.018 -0.003 0.000 1.284 1309 C CB -2.286 25.498 27.740 0.073 0.000 1.532 1309 C HN 0.316 nan 8.230 nan 0.000 0.631 1310 V N 4.132 124.037 119.914 -0.014 0.000 2.599 1310 V HA 0.244 4.365 4.120 0.001 0.000 0.300 1310 V C 0.278 176.392 176.094 0.035 0.000 1.034 1310 V CA 0.990 63.292 62.300 0.004 0.000 1.115 1310 V CB 0.497 32.303 31.823 -0.027 0.000 0.934 1310 V HN 0.865 nan 8.190 nan 0.000 0.485 1311 D N 2.708 123.118 120.400 0.018 0.000 2.851 1311 D HA 0.186 4.826 4.640 0.001 0.000 0.339 1311 D C 0.507 176.713 176.300 -0.157 0.000 1.347 1311 D CA -0.442 53.534 54.000 -0.039 0.000 0.888 1311 D CB 0.722 41.523 40.800 0.001 0.000 1.431 1311 D HN 0.349 nan 8.370 nan 0.000 0.509 1312 K N -0.422 119.754 120.400 -0.373 0.000 2.280 1312 K HA -0.011 4.310 4.320 0.001 0.000 0.202 1312 K C 1.344 177.617 176.600 -0.545 0.000 1.047 1312 K CA 1.238 57.216 56.287 -0.514 0.000 0.942 1312 K CB -0.541 31.554 32.500 -0.676 0.000 0.739 1312 K HN 0.285 nan 8.250 nan 0.000 0.457 1313 F N 2.392 122.252 119.950 -0.150 0.000 2.179 1313 F HA -0.075 4.452 4.527 0.001 0.000 0.292 1313 F C 2.979 178.725 175.800 -0.090 0.000 1.089 1313 F CA 1.152 59.066 58.000 -0.143 0.000 1.295 1313 F CB -0.964 37.926 39.000 -0.184 0.000 1.041 1313 F HN 0.120 nan 8.300 nan 0.000 0.487 1314 T N -2.377 112.242 114.554 0.109 0.000 2.720 1314 T HA -0.219 4.132 4.350 0.001 0.000 0.268 1314 T C 1.897 176.604 174.700 0.012 0.000 1.037 1314 T CA 2.040 64.173 62.100 0.055 0.000 1.144 1314 T CB -1.256 67.643 68.868 0.052 0.000 0.864 1314 T HN 0.199 nan 8.240 nan 0.000 0.444 1315 T N 2.339 116.880 114.554 -0.022 0.000 2.665 1315 T HA -0.040 4.311 4.350 0.001 0.000 0.268 1315 T C 1.709 176.386 174.700 -0.038 0.000 1.035 1315 T CA 1.298 63.373 62.100 -0.041 0.000 1.151 1315 T CB -0.558 68.266 68.868 -0.072 0.000 0.862 1315 T HN 0.143 nan 8.240 nan 0.000 0.438 1316 L N 0.252 121.448 121.223 -0.044 0.000 2.353 1316 L HA 0.009 4.350 4.340 0.001 0.000 0.220 1316 L C 2.145 179.004 176.870 -0.018 0.000 1.133 1316 L CA 1.062 55.883 54.840 -0.032 0.000 0.798 1316 L CB -0.908 41.136 42.059 -0.026 0.000 0.922 1316 L HN 0.435 nan 8.230 nan 0.000 0.445 1317 C N -3.213 116.082 119.300 -0.007 0.000 3.364 1317 C HA 0.280 4.741 4.460 0.001 0.000 0.340 1317 C C 1.150 176.137 174.990 -0.006 0.000 1.336 1317 C CA -0.853 58.159 59.018 -0.010 0.000 1.778 1317 C CB 0.492 28.229 27.740 -0.005 0.000 2.398 1317 C HN 0.115 nan 8.230 nan 0.000 0.667 1318 V N 3.883 123.797 119.914 0.001 0.000 2.599 1318 V HA 0.235 4.355 4.120 0.001 0.000 0.300 1318 V C 0.870 176.964 176.094 0.001 0.000 1.034 1318 V CA 0.835 63.139 62.300 0.006 0.000 1.115 1318 V CB 0.718 32.546 31.823 0.008 0.000 0.934 1318 V HN 0.670 nan 8.190 nan 0.000 0.485 1319 T N 4.608 119.164 114.554 0.003 0.000 2.932 1319 T HA 0.523 4.874 4.350 0.001 0.000 0.312 1319 T C 0.565 175.266 174.700 0.001 0.000 1.071 1319 T CA 0.463 62.563 62.100 0.000 0.000 1.128 1319 T CB 0.545 69.415 68.868 0.002 0.000 0.984 1319 T HN 2.535 nan 8.240 nan 0.000 0.549 1327 P HA -0.001 nan 4.420 nan 0.000 0.266 1327 P C 0.563 177.943 177.300 0.134 0.000 1.195 1327 P CA -0.285 62.871 63.100 0.093 0.000 0.768 1327 P CB 0.619 32.363 31.700 0.073 0.000 0.838 1328 W N 3.140 124.437 121.300 -0.005 0.000 2.304 1328 W HA -0.190 4.471 4.660 0.001 0.000 0.315 1328 W C 0.556 177.073 176.519 -0.004 0.000 1.233 1328 W CA 2.108 59.450 57.345 -0.004 0.000 1.261 1328 W CB -0.181 29.276 29.460 -0.004 0.000 1.150 1328 W HN 0.581 nan 8.180 nan 0.000 0.494 1329 S N -0.960 114.780 115.700 0.067 0.000 2.595 1329 S HA 0.674 5.145 4.470 0.001 0.000 0.281 1329 S C -1.299 173.287 174.600 -0.024 0.000 1.117 1329 S CA -1.035 57.083 58.200 -0.137 0.000 0.873 1329 S CB 2.340 65.439 63.200 -0.169 0.000 1.108 1329 S HN 0.102 nan 8.310 nan 0.000 0.477 1330 L N 1.349 122.535 121.223 -0.061 0.000 2.476 1330 L HA 0.546 4.887 4.340 0.001 0.000 0.269 1330 L C -0.482 176.367 176.870 -0.034 0.000 0.965 1330 L CA -0.717 54.106 54.840 -0.029 0.000 0.845 1330 L CB 1.895 43.932 42.059 -0.036 0.000 1.259 1330 L HN 0.816 nan 8.230 nan 0.000 0.403 1331 R N 2.829 123.321 120.500 -0.013 0.000 2.640 1331 R HA 0.513 4.854 4.340 0.001 0.000 0.270 1331 R C -0.690 175.597 176.300 -0.020 0.000 1.024 1331 R CA 0.151 56.243 56.100 -0.013 0.000 1.085 1331 R CB 0.478 30.777 30.300 -0.002 0.000 0.963 1331 R HN 0.458 nan 8.270 nan 0.000 0.426 1332 V N 0.000 119.900 119.914 -0.023 0.000 2.409 1332 V HA 0.000 4.121 4.120 0.001 0.000 0.244 1332 V CA 0.000 62.286 62.300 -0.023 0.000 1.235 1332 V CB 0.000 31.813 31.823 -0.017 0.000 1.184 1332 V HN 0.000 nan 8.190 nan 0.000 0.556